NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8118 | 1lm0 | 5407 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 32 H SER 32 18.108 -5.703 12.993 2 HA SER 32 HA SER 32 17.854 -6.453 10.167 3 1HB SER 32 2HB SER 32 17.399 -8.020 12.150 4 2HB SER 32 3HB SER 32 15.919 -7.077 12.425 5 HG SER 32 HG SER 32 16.645 -8.692 10.223 6 H ASN 33 H ASN 33 15.753 -6.138 9.062 7 HA ASN 33 HA ASN 33 14.747 -3.387 9.358 8 1HB ASN 33 2HB ASN 33 14.446 -5.570 7.286 9 2HB ASN 33 3HB ASN 33 13.161 -4.375 7.470 10 1HD2 ASN 33 1HD2 ASN 33 16.605 -4.696 6.585 11 2HD2 ASN 33 2HD2 ASN 33 16.659 -3.123 5.813 12 H LEU 34 H LEU 34 12.976 -2.925 10.581 13 HA LEU 34 HA LEU 34 11.508 -5.005 11.935 14 1HB LEU 34 2HB LEU 34 10.963 -2.013 11.678 15 2HB LEU 34 3HB LEU 34 10.054 -3.137 12.682 16 HG LEU 34 HG LEU 34 12.481 -3.756 13.642 17 1HD1 LEU 34 1HD1 LEU 34 13.811 -1.683 13.953 18 2HD1 LEU 34 2HD1 LEU 34 13.772 -2.152 12.255 19 3HD1 LEU 34 3HD1 LEU 34 12.744 -0.821 12.831 20 1HD2 LEU 34 1HD2 LEU 34 10.554 -3.033 14.965 21 2HD2 LEU 34 2HD2 LEU 34 12.017 -2.187 15.487 22 3HD2 LEU 34 3HD2 LEU 34 10.823 -1.344 14.476 23 H ASN 35 H ASN 35 9.054 -4.940 11.899 24 HA ASN 35 HA ASN 35 7.754 -4.635 9.302 25 1HB ASN 35 2HB ASN 35 7.066 -7.033 9.332 26 2HB ASN 35 3HB ASN 35 8.760 -6.764 8.909 27 1HD2 ASN 35 1HD2 ASN 35 7.759 -9.301 9.687 28 2HD2 ASN 35 2HD2 ASN 35 8.501 -9.690 11.228 29 H LEU 36 H LEU 36 5.893 -3.587 9.951 30 HA LEU 36 HA LEU 36 4.255 -4.781 12.045 31 1HB LEU 36 2HB LEU 36 4.006 -2.676 13.258 32 2HB LEU 36 3HB LEU 36 5.618 -3.354 13.439 33 HG LEU 36 HG LEU 36 5.148 -1.230 11.315 34 1HD1 LEU 36 1HD1 LEU 36 5.581 0.520 12.980 35 2HD1 LEU 36 2HD1 LEU 36 4.086 -0.353 13.344 36 3HD1 LEU 36 3HD1 LEU 36 5.555 -0.692 14.281 37 1HD2 LEU 36 1HD2 LEU 36 7.411 -2.276 11.423 38 2HD2 LEU 36 2HD2 LEU 36 7.467 -0.591 11.933 39 3HD2 LEU 36 3HD2 LEU 36 7.507 -1.880 13.149 40 H PHE 37 H PHE 37 2.098 -4.051 11.963 41 HA PHE 37 HA PHE 37 1.312 -3.235 9.236 42 1HB PHE 37 2HB PHE 37 -0.213 -4.662 11.421 43 2HB PHE 37 3HB PHE 37 -0.815 -4.294 9.814 44 HD1 PHE 37 HD1 PHE 37 0.186 -5.382 7.786 45 HD2 PHE 37 HD2 PHE 37 1.285 -6.582 11.779 46 HE1 PHE 37 HE1 PHE 37 1.152 -7.493 6.897 47 HE2 PHE 37 HE2 PHE 37 2.218 -8.693 10.889 48 HZ PHE 37 HZ PHE 37 2.120 -9.173 8.445 49 H TYR 38 H TYR 38 0.442 -1.275 8.866 50 HA TYR 38 HA TYR 38 -0.925 0.198 11.072 51 1HB TYR 38 2HB TYR 38 1.555 0.863 9.644 52 2HB TYR 38 3HB TYR 38 0.332 2.082 9.367 53 HD1 TYR 38 HD1 TYR 38 1.894 0.118 12.172 54 HD2 TYR 38 HD2 TYR 38 -0.006 3.797 10.964 55 HE1 TYR 38 HE1 TYR 38 2.415 1.117 14.379 56 HE2 TYR 38 HE2 TYR 38 0.598 4.812 13.144 57 HH TYR 38 HH TYR 38 2.275 2.996 15.707 58 H THR 39 H THR 39 -2.529 1.670 10.467 59 HA THR 39 HA THR 39 -4.152 0.880 8.370 60 HB THR 39 HB THR 39 -4.249 3.450 10.011 61 HG1 THR 39 1HG THR 39 -5.206 2.135 11.594 62 1HG2 THR 39 1HG2 THR 39 -6.690 3.065 9.956 63 2HG2 THR 39 2HG2 THR 39 -6.047 3.226 8.313 64 3HG2 THR 39 3HG2 THR 39 -6.448 1.617 8.962 65 HA PRO 40 HA PRO 40 -2.375 3.349 5.030 66 1HB PRO 40 2HB PRO 40 -4.561 3.639 3.368 67 2HB PRO 40 3HB PRO 40 -3.528 2.191 3.513 68 1HG PRO 40 2HG PRO 40 -6.148 2.702 4.921 69 2HG PRO 40 3HG PRO 40 -5.661 1.251 3.998 70 1HD PRO 40 2HD PRO 40 -5.466 1.280 6.662 71 2HD PRO 40 3HD PRO 40 -4.094 0.631 5.711 72 H SER 41 H SER 41 -5.710 4.426 5.973 73 HA SER 41 HA SER 41 -5.530 7.073 5.246 74 1HB SER 41 2HB SER 41 -6.847 6.026 7.765 75 2HB SER 41 3HB SER 41 -7.410 7.359 6.728 76 HG SER 41 HG SER 41 -7.548 5.629 5.056 77 H GLU 42 H GLU 42 -4.217 5.493 8.126 78 HA GLU 42 HA GLU 42 -3.579 7.918 9.543 79 1HB GLU 42 2HB GLU 42 -3.809 5.810 10.758 80 2HB GLU 42 3HB GLU 42 -2.409 5.108 9.914 81 1HG GLU 42 2HG GLU 42 -0.925 6.640 10.830 82 2HG GLU 42 3HG GLU 42 -2.238 7.749 11.386 83 H ILE 43 H ILE 43 -1.635 5.602 7.572 84 HA ILE 43 HA ILE 43 0.624 7.421 7.577 85 HB ILE 43 HB ILE 43 1.734 5.810 6.111 86 1HG1 ILE 43 2HG1 ILE 43 -0.844 4.217 6.351 87 2HG1 ILE 43 3HG1 ILE 43 -0.286 5.023 4.883 88 1HG2 ILE 43 1HG2 ILE 43 1.795 5.650 8.582 89 2HG2 ILE 43 2HG2 ILE 43 0.397 4.554 8.538 90 3HG2 ILE 43 3HG2 ILE 43 1.939 4.077 7.799 91 1HD1 ILE 43 1HD1 ILE 43 1.825 3.578 5.115 92 2HD1 ILE 43 2HD1 ILE 43 0.909 2.622 6.301 93 3HD1 ILE 43 3HD1 ILE 43 0.320 2.772 4.634 94 H VAL 44 H VAL 44 -1.684 8.701 6.526 95 HA VAL 44 HA VAL 44 -0.469 9.776 4.020 96 HB VAL 44 HB VAL 44 -3.363 9.578 4.905 97 1HG1 VAL 44 1HG1 VAL 44 -3.969 11.055 2.982 98 2HG1 VAL 44 2HG1 VAL 44 -3.105 11.954 4.220 99 3HG1 VAL 44 3HG1 VAL 44 -2.251 11.435 2.752 100 1HG2 VAL 44 1HG2 VAL 44 -2.595 7.759 3.564 101 2HG2 VAL 44 2HG2 VAL 44 -3.880 8.694 2.808 102 3HG2 VAL 44 3HG2 VAL 44 -2.216 8.917 2.236 103 H ASN 45 H ASN 45 -2.804 10.772 6.475 104 HA ASN 45 HA ASN 45 -2.147 13.451 6.385 105 1HB ASN 45 2HB ASN 45 -3.653 11.914 8.549 106 2HB ASN 45 3HB ASN 45 -3.663 13.667 8.324 107 1HD2 ASN 45 1HD2 ASN 45 -4.907 10.551 7.041 108 2HD2 ASN 45 2HD2 ASN 45 -6.001 11.347 5.926 109 H GLY 46 H GLY 46 -0.057 14.040 6.869 110 1HA GLY 46 1HA GLY 46 1.504 14.932 8.391 111 2HA GLY 46 2HA GLY 46 0.503 14.368 9.718 112 H LYS 47 H LYS 47 1.916 12.496 7.015 113 HA LYS 47 HA LYS 47 3.669 11.023 8.816 114 1HB LYS 47 2HB LYS 47 1.204 9.794 7.632 115 2HB LYS 47 3HB LYS 47 2.698 8.852 7.610 116 1HG LYS 47 2HG LYS 47 1.636 8.187 9.529 117 2HG LYS 47 3HG LYS 47 3.013 9.174 10.018 118 1HD LYS 47 2HD LYS 47 1.681 10.658 11.150 119 2HD LYS 47 3HD LYS 47 0.570 10.749 9.766 120 1HE LYS 47 2HE LYS 47 -0.780 10.018 11.481 121 2HE LYS 47 3HE LYS 47 -0.420 8.634 10.467 122 1HZ LYS 47 1HZ LYS 47 -0.278 8.000 12.759 123 2HZ LYS 47 2HZ LYS 47 1.231 7.958 12.154 124 3HZ LYS 47 3HZ LYS 47 0.753 9.222 13.107 125 H THR 48 H THR 48 2.863 9.585 5.690 126 HA THR 48 HA THR 48 5.562 10.171 4.756 127 HB THR 48 HB THR 48 4.431 8.071 4.222 128 HG1 THR 48 1HG THR 48 5.372 9.793 2.181 129 1HG2 THR 48 1HG2 THR 48 2.765 7.805 2.585 130 2HG2 THR 48 2HG2 THR 48 2.132 9.071 3.645 131 3HG2 THR 48 3HG2 THR 48 2.827 9.487 2.069 132 H ASP 49 H ASP 49 2.250 11.113 3.715 133 HA ASP 49 HA ASP 49 2.777 12.608 1.479 134 1HB ASP 49 2HB ASP 49 0.515 12.182 2.057 135 2HB ASP 49 3HB ASP 49 0.712 12.844 3.687 136 H THR 50 H THR 50 2.629 13.705 4.838 137 HA THR 50 HA THR 50 3.609 16.373 4.155 138 HB THR 50 HB THR 50 2.987 15.392 6.901 139 HG1 THR 50 1HG THR 50 1.135 15.473 4.744 140 1HG2 THR 50 1HG2 THR 50 2.160 17.910 5.401 141 2HG2 THR 50 2HG2 THR 50 1.849 17.558 7.116 142 3HG2 THR 50 3HG2 THR 50 3.514 17.780 6.548 143 H GLY 51 H GLY 51 5.155 13.473 4.808 144 1HA GLY 51 1HA GLY 51 7.100 12.765 5.708 145 2HA GLY 51 2HA GLY 51 7.690 14.268 4.997 146 H VAL 52 H VAL 52 5.655 13.663 7.948 147 HA VAL 52 HA VAL 52 7.595 15.468 9.383 148 HB VAL 52 HB VAL 52 5.961 15.901 11.028 149 1HG1 VAL 52 1HG1 VAL 52 4.427 17.186 9.686 150 2HG1 VAL 52 2HG1 VAL 52 6.016 17.213 8.899 151 3HG1 VAL 52 3HG1 VAL 52 4.726 16.165 8.273 152 1HG2 VAL 52 1HG2 VAL 52 3.577 15.119 10.641 153 2HG2 VAL 52 2HG2 VAL 52 4.260 13.938 9.498 154 3HG2 VAL 52 3HG2 VAL 52 4.678 13.869 11.228 155 H LYS 53 H LYS 53 5.984 12.335 10.072 156 HA LYS 53 HA LYS 53 7.931 11.933 12.286 157 1HB LYS 53 2HB LYS 53 5.098 11.122 11.829 158 2HB LYS 53 3HB LYS 53 6.111 10.009 12.742 159 1HG LYS 53 2HG LYS 53 5.927 12.982 13.370 160 2HG LYS 53 3HG LYS 53 4.780 11.822 14.030 161 1HD LYS 53 2HD LYS 53 7.809 11.728 14.492 162 2HD LYS 53 3HD LYS 53 6.604 12.393 15.599 163 1HE LYS 53 2HE LYS 53 5.478 10.125 15.654 164 2HE LYS 53 3HE LYS 53 6.831 9.467 14.722 165 1HZ LYS 53 1HZ LYS 53 8.312 10.086 16.475 166 2HZ LYS 53 2HZ LYS 53 7.078 10.708 17.372 167 3HZ LYS 53 3HZ LYS 53 7.128 9.100 17.041 168 HA PRO 54 HA PRO 54 8.801 7.982 9.857 169 1HB PRO 54 2HB PRO 54 7.258 7.096 7.815 170 2HB PRO 54 3HB PRO 54 6.771 6.818 9.513 171 1HG PRO 54 2HG PRO 54 5.874 9.064 7.682 172 2HG PRO 54 3HG PRO 54 4.836 7.947 8.619 173 1HD PRO 54 2HD PRO 54 5.572 10.432 9.540 174 2HD PRO 54 3HD PRO 54 5.366 9.041 10.653 175 H GLU 55 H GLU 55 9.521 7.598 7.349 176 HA GLU 55 HA GLU 55 9.747 10.045 5.820 177 1HB GLU 55 2HB GLU 55 11.399 10.304 7.735 178 2HB GLU 55 3HB GLU 55 12.223 8.844 7.170 179 1HG GLU 55 2HG GLU 55 12.830 9.963 5.081 180 2HG GLU 55 3HG GLU 55 11.819 11.365 5.503 181 H ALA 56 H ALA 56 10.963 9.508 3.788 182 HA ALA 56 HA ALA 56 10.280 6.848 2.902 183 1HB ALA 56 1HB ALA 56 10.176 8.711 1.319 184 2HB ALA 56 2HB ALA 56 11.928 8.970 1.486 185 3HB ALA 56 3HB ALA 56 11.303 7.473 0.759 186 H GLY 57 H GLY 57 11.632 5.058 2.969 187 1HA GLY 57 1HA GLY 57 14.103 4.384 2.962 188 2HA GLY 57 2HA GLY 57 14.244 5.401 4.408 189 H GLN 58 H GLN 58 11.574 4.708 5.469 190 HA GLN 58 HA GLN 58 12.509 2.262 6.822 191 1HB GLN 58 2HB GLN 58 10.094 4.020 7.406 192 2HB GLN 58 3HB GLN 58 10.577 2.579 8.308 193 1HG GLN 58 2HG GLN 58 11.652 4.089 9.616 194 2HG GLN 58 3HG GLN 58 12.943 3.838 8.443 195 1HE2 GLN 58 1HE2 GLN 58 10.388 6.009 9.570 196 2HE2 GLN 58 2HE2 GLN 58 10.980 7.417 8.700 197 H ARG 59 H ARG 59 11.516 0.335 6.909 198 HA ARG 59 HA ARG 59 9.552 -0.299 4.812 199 1HB ARG 59 2HB ARG 59 11.687 -1.656 5.105 200 2HB ARG 59 3HB ARG 59 11.020 -2.211 6.652 201 1HG ARG 59 2HG ARG 59 8.952 -3.010 5.328 202 2HG ARG 59 3HG ARG 59 9.819 -2.539 3.859 203 1HD ARG 59 2HD ARG 59 10.059 -4.892 4.167 204 2HD ARG 59 3HD ARG 59 11.641 -4.125 4.436 205 HE ARG 59 HE ARG 59 10.430 -4.311 6.978 206 1HH1 ARG 59 2HH2 ARG 59 11.376 -6.590 4.446 207 2HH1 ARG 59 1HH2 ARG 59 11.852 -7.845 5.544 208 1HH2 ARG 59 1HH1 ARG 59 11.087 -5.859 8.422 209 2HH2 ARG 59 2HH1 ARG 59 11.726 -7.394 7.929 210 H ILE 60 H ILE 60 7.451 -0.738 5.333 211 HA ILE 60 HA ILE 60 6.690 -1.413 8.096 212 HB ILE 60 HB ILE 60 4.927 0.235 8.216 213 1HG1 ILE 60 2HG1 ILE 60 6.035 1.546 5.722 214 2HG1 ILE 60 3HG1 ILE 60 4.654 0.459 5.662 215 1HG2 ILE 60 1HG2 ILE 60 7.178 0.832 9.140 216 2HG2 ILE 60 2HG2 ILE 60 7.538 1.726 7.649 217 3HG2 ILE 60 3HG2 ILE 60 6.217 2.242 8.699 218 1HD1 ILE 60 1HD1 ILE 60 3.375 1.853 7.212 219 2HD1 ILE 60 2HD1 ILE 60 4.691 3.055 7.225 220 3HD1 ILE 60 3HD1 ILE 60 3.827 2.693 5.722 221 H ARG 61 H ARG 61 4.117 -1.879 7.976 222 HA ARG 61 HA ARG 61 3.510 -2.922 5.278 223 1HB ARG 61 2HB ARG 61 2.614 -4.248 7.849 224 2HB ARG 61 3HB ARG 61 2.451 -4.825 6.184 225 1HG ARG 61 2HG ARG 61 5.025 -4.782 6.114 226 2HG ARG 61 3HG ARG 61 4.994 -4.525 7.860 227 1HD ARG 61 2HD ARG 61 3.892 -6.619 8.250 228 2HD ARG 61 3HD ARG 61 3.622 -6.862 6.503 229 HE ARG 61 HE ARG 61 6.428 -6.557 7.065 230 1HH1 ARG 61 2HH2 ARG 61 3.816 -8.883 7.232 231 2HH1 ARG 61 1HH2 ARG 61 4.825 -10.298 7.117 232 1HH2 ARG 61 1HH1 ARG 61 7.762 -8.357 6.681 233 2HH2 ARG 61 2HH1 ARG 61 7.176 -9.975 6.888 234 H VAL 62 H VAL 62 1.776 -2.095 4.383 235 HA VAL 62 HA VAL 62 -0.020 -0.358 5.992 236 HB VAL 62 HB VAL 62 0.761 0.632 3.954 237 1HG1 VAL 62 1HG1 VAL 62 1.282 -1.320 2.568 238 2HG1 VAL 62 2HG1 VAL 62 -0.467 -1.674 2.399 239 3HG1 VAL 62 3HG1 VAL 62 0.228 -0.195 1.728 240 1HG2 VAL 62 1HG2 VAL 62 -1.363 1.209 2.932 241 2HG2 VAL 62 2HG2 VAL 62 -2.137 -0.249 3.569 242 3HG2 VAL 62 3HG2 VAL 62 -1.598 1.030 4.686 243 H GLY 63 H GLY 63 -2.037 -1.158 6.604 244 1HA GLY 63 1HA GLY 63 -3.045 -3.640 5.261 245 2HA GLY 63 2HA GLY 63 -2.885 -3.546 7.016 246 H GLY 64 H GLY 64 -5.066 -3.286 4.524 247 1HA GLY 64 1HA GLY 64 -7.114 -1.937 5.970 248 2HA GLY 64 2HA GLY 64 -6.333 -0.777 4.878 249 H MET 65 H MET 65 -8.552 -0.774 3.861 250 HA MET 65 HA MET 65 -9.176 -3.268 2.354 251 1HB MET 65 2HB MET 65 -11.454 -2.571 2.251 252 2HB MET 65 3HB MET 65 -10.875 -2.671 3.905 253 1HG MET 65 2HG MET 65 -10.426 0.011 3.275 254 2HG MET 65 3HG MET 65 -11.862 -0.354 2.348 255 1HE MET 65 1HE MET 65 -11.521 -0.580 6.964 256 2HE MET 65 2HE MET 65 -11.113 -2.016 6.014 257 3HE MET 65 3HE MET 65 -10.148 -0.540 5.836 258 H VAL 66 H VAL 66 -9.235 -3.348 0.237 259 HA VAL 66 HA VAL 66 -8.340 -0.935 -1.264 260 HB VAL 66 HB VAL 66 -7.232 -3.087 -1.717 261 1HG1 VAL 66 1HG1 VAL 66 -9.826 -3.939 -3.045 262 2HG1 VAL 66 2HG1 VAL 66 -8.291 -4.825 -3.036 263 3HG1 VAL 66 3HG1 VAL 66 -9.200 -4.636 -1.541 264 1HG2 VAL 66 1HG2 VAL 66 -8.830 -1.822 -3.963 265 2HG2 VAL 66 2HG2 VAL 66 -7.181 -1.393 -3.443 266 3HG2 VAL 66 3HG2 VAL 66 -7.522 -2.936 -4.260 267 H THR 67 H THR 67 -9.711 0.234 -2.709 268 HA THR 67 HA THR 67 -12.578 -0.297 -2.428 269 HB THR 67 HB THR 67 -10.911 2.079 -2.877 270 HG1 THR 67 1HG THR 67 -12.397 1.865 -1.223 271 1HG2 THR 67 1HG2 THR 67 -11.716 1.949 -5.236 272 2HG2 THR 67 2HG2 THR 67 -13.394 1.857 -4.629 273 3HG2 THR 67 3HG2 THR 67 -12.408 3.294 -4.328 274 H VAL 68 H VAL 68 -13.868 -0.591 -4.175 275 HA VAL 68 HA VAL 68 -13.163 -2.630 -5.866 276 HB VAL 68 HB VAL 68 -15.431 -2.123 -5.321 277 1HG1 VAL 68 1HG1 VAL 68 -15.350 0.232 -7.256 278 2HG1 VAL 68 2HG1 VAL 68 -16.745 -0.375 -6.355 279 3HG1 VAL 68 3HG1 VAL 68 -15.400 0.369 -5.483 280 1HG2 VAL 68 1HG2 VAL 68 -14.933 -3.494 -7.326 281 2HG2 VAL 68 2HG2 VAL 68 -16.473 -2.625 -7.458 282 3HG2 VAL 68 3HG2 VAL 68 -15.052 -2.042 -8.343 283 H GLY 69 H GLY 69 -13.155 0.843 -6.763 284 1HA GLY 69 1HA GLY 69 -12.020 0.196 -9.432 285 2HA GLY 69 2HA GLY 69 -12.630 1.748 -8.864 286 H SER 70 H SER 70 -10.394 0.072 -6.689 287 HA SER 70 HA SER 70 -8.572 2.324 -6.942 288 1HB SER 70 2HB SER 70 -8.433 -0.242 -5.354 289 2HB SER 70 3HB SER 70 -7.344 1.126 -5.173 290 HG SER 70 HG SER 70 -9.073 2.407 -4.504 291 H MET 71 H MET 71 -8.506 -1.088 -8.046 292 HA MET 71 HA MET 71 -5.631 -1.154 -8.234 293 1HB MET 71 2HB MET 71 -7.778 -3.021 -8.163 294 2HB MET 71 3HB MET 71 -7.069 -3.233 -9.751 295 1HG MET 71 2HG MET 71 -5.656 -3.331 -7.068 296 2HG MET 71 3HG MET 71 -6.058 -4.708 -8.107 297 1HE MET 71 1HE MET 71 -4.962 -5.220 -10.359 298 2HE MET 71 2HE MET 71 -5.187 -3.569 -11.000 299 3HE MET 71 3HE MET 71 -3.580 -4.334 -11.046 300 H VAL 72 H VAL 72 -4.386 -0.425 -9.948 301 HA VAL 72 HA VAL 72 -5.584 -0.637 -12.647 302 HB VAL 72 HB VAL 72 -4.713 1.484 -13.386 303 1HG1 VAL 72 1HG1 VAL 72 -6.413 2.923 -12.423 304 2HG1 VAL 72 2HG1 VAL 72 -7.074 1.295 -12.629 305 3HG1 VAL 72 3HG1 VAL 72 -6.588 1.863 -11.015 306 1HG2 VAL 72 1HG2 VAL 72 -4.038 2.021 -10.467 307 2HG2 VAL 72 2HG2 VAL 72 -2.922 1.972 -11.864 308 3HG2 VAL 72 3HG2 VAL 72 -4.122 3.262 -11.733 309 H ARG 73 H ARG 73 -4.356 -1.764 -13.903 310 HA ARG 73 HA ARG 73 -1.499 -2.204 -13.220 311 1HB ARG 73 2HB ARG 73 -1.614 -4.224 -14.450 312 2HB ARG 73 3HB ARG 73 -3.029 -4.227 -13.382 313 1HG ARG 73 2HG ARG 73 -4.478 -3.558 -15.269 314 2HG ARG 73 3HG ARG 73 -3.069 -3.508 -16.342 315 1HD ARG 73 2HD ARG 73 -2.658 -5.981 -15.566 316 2HD ARG 73 3HD ARG 73 -4.326 -5.912 -15.012 317 HE ARG 73 HE ARG 73 -5.069 -5.959 -17.196 318 1HH1 ARG 73 2HH2 ARG 73 -1.656 -4.845 -17.439 319 2HH1 ARG 73 1HH2 ARG 73 -1.275 -5.969 -18.696 320 1HH2 ARG 73 1HH1 ARG 73 -4.692 -6.793 -19.342 321 2HH2 ARG 73 2HH1 ARG 73 -3.118 -6.628 -20.062 322 H ASP 74 H ASP 74 0.112 -2.029 -14.922 323 HA ASP 74 HA ASP 74 -0.666 -0.212 -17.102 324 1HB ASP 74 2HB ASP 74 1.868 -1.541 -16.108 325 2HB ASP 74 3HB ASP 74 1.785 -1.102 -17.809 326 HA PRO 75 HA PRO 75 -1.281 -3.527 -20.143 327 1HB PRO 75 2HB PRO 75 -0.254 -2.394 -22.417 328 2HB PRO 75 3HB PRO 75 -1.794 -1.836 -21.699 329 1HG PRO 75 2HG PRO 75 0.964 -0.629 -21.310 330 2HG PRO 75 3HG PRO 75 -0.545 0.218 -21.752 331 1HD PRO 75 2HD PRO 75 0.329 0.138 -19.193 332 2HD PRO 75 3HD PRO 75 -1.411 0.003 -19.548 333 H ASN 76 H ASN 76 1.813 -1.972 -19.553 334 HA ASN 76 HA ASN 76 3.710 -3.787 -20.416 335 1HB ASN 76 2HB ASN 76 3.510 -2.644 -17.579 336 2HB ASN 76 3HB ASN 76 4.950 -3.292 -18.359 337 1HD2 ASN 76 1HD2 ASN 76 3.904 -0.293 -17.384 338 2HD2 ASN 76 2HD2 ASN 76 4.539 0.573 -18.736 339 H SER 77 H SER 77 1.398 -4.128 -17.713 340 HA SER 77 HA SER 77 0.578 -5.847 -16.614 341 1HB SER 77 2HB SER 77 1.875 -7.761 -18.593 342 2HB SER 77 3HB SER 77 0.486 -8.046 -17.549 343 HG SER 77 HG SER 77 0.669 -6.228 -19.743 344 H LEU 78 H LEU 78 3.600 -5.020 -16.390 345 HA LEU 78 HA LEU 78 4.181 -6.945 -14.174 346 1HB LEU 78 2HB LEU 78 6.519 -5.906 -14.318 347 2HB LEU 78 3HB LEU 78 6.077 -7.177 -15.444 348 HG LEU 78 HG LEU 78 5.574 -4.361 -16.366 349 1HD1 LEU 78 1HD1 LEU 78 7.903 -4.089 -17.102 350 2HD1 LEU 78 2HD1 LEU 78 7.750 -4.079 -15.335 351 3HD1 LEU 78 3HD1 LEU 78 8.368 -5.527 -16.162 352 1HD2 LEU 78 1HD2 LEU 78 6.080 -5.354 -18.514 353 2HD2 LEU 78 2HD2 LEU 78 6.922 -6.723 -17.755 354 3HD2 LEU 78 3HD2 LEU 78 5.170 -6.601 -17.633 355 H HIS 79 H HID 79 3.559 -3.544 -15.067 356 HA HIS 79 HA HID 79 4.338 -2.659 -12.338 357 1HB HIS 79 2HB HID 79 3.834 -1.267 -14.965 358 2HB HIS 79 3HB HID 79 3.732 -0.395 -13.432 359 HD1 HIS 79 1HD HID 79 6.111 -0.651 -11.873 360 HD2 HIS 79 2HD HID 79 6.214 -1.299 -16.034 361 HE1 HIS 79 1HE HID 79 8.543 -0.377 -12.597 362 H VAL 80 H VAL 80 2.778 -2.271 -10.884 363 HA VAL 80 HA VAL 80 -0.029 -1.963 -11.710 364 HB VAL 80 HB VAL 80 -0.355 -3.744 -9.734 365 1HG1 VAL 80 1HG1 VAL 80 0.059 -4.552 -12.621 366 2HG1 VAL 80 2HG1 VAL 80 -0.745 -5.526 -11.371 367 3HG1 VAL 80 3HG1 VAL 80 -1.433 -3.966 -11.831 368 1HG2 VAL 80 1HG2 VAL 80 2.093 -4.871 -11.185 369 2HG2 VAL 80 2HG2 VAL 80 2.117 -4.238 -9.532 370 3HG2 VAL 80 3HG2 VAL 80 1.145 -5.660 -9.931 371 H GLN 81 H GLN 81 -1.211 -0.708 -10.260 372 HA GLN 81 HA GLN 81 0.026 -0.256 -7.609 373 1HB GLN 81 2HB GLN 81 -0.255 2.223 -7.915 374 2HB GLN 81 3HB GLN 81 1.061 1.500 -8.862 375 1HG GLN 81 2HG GLN 81 -0.283 1.508 -10.892 376 2HG GLN 81 3HG GLN 81 -1.705 2.017 -9.960 377 1HE2 GLN 81 1HE2 GLN 81 -2.130 4.021 -10.871 378 2HE2 GLN 81 2HE2 GLN 81 -0.941 5.307 -10.925 379 H PHE 82 H PHE 82 -1.415 0.623 -6.089 380 HA PHE 82 HA PHE 82 -4.260 0.647 -6.876 381 1HB PHE 82 2HB PHE 82 -4.896 -1.017 -5.205 382 2HB PHE 82 3HB PHE 82 -3.901 -1.702 -6.480 383 HD1 PHE 82 HD1 PHE 82 -1.760 -2.733 -5.998 384 HD2 PHE 82 HD2 PHE 82 -3.904 -0.618 -2.912 385 HE1 PHE 82 HE1 PHE 82 -0.365 -3.830 -4.273 386 HE2 PHE 82 HE2 PHE 82 -2.482 -1.692 -1.190 387 HZ PHE 82 HZ PHE 82 -0.822 -3.424 -1.857 388 H ALA 83 H ALA 83 -5.518 1.843 -5.577 389 HA ALA 83 HA ALA 83 -4.246 3.349 -3.382 390 1HB ALA 83 1HB ALA 83 -6.156 4.706 -3.474 391 2HB ALA 83 2HB ALA 83 -5.710 4.422 -5.151 392 3HB ALA 83 3HB ALA 83 -7.085 3.541 -4.441 393 H VAL 84 H VAL 84 -4.850 3.052 -1.204 394 HA VAL 84 HA VAL 84 -6.999 1.075 -0.613 395 HB VAL 84 HB VAL 84 -4.908 -0.218 -0.810 396 1HG1 VAL 84 1HG1 VAL 84 -3.308 1.540 -0.122 397 2HG1 VAL 84 2HG1 VAL 84 -3.913 1.391 1.541 398 3HG1 VAL 84 3HG1 VAL 84 -3.086 0.026 0.774 399 1HG2 VAL 84 1HG2 VAL 84 -4.948 -1.339 1.418 400 2HG2 VAL 84 2HG2 VAL 84 -6.061 -0.086 1.996 401 3HG2 VAL 84 3HG2 VAL 84 -6.517 -1.153 0.644 402 H HIS 85 H HID 85 -7.986 1.352 1.452 403 HA HIS 85 HA HID 85 -7.270 3.857 2.896 404 1HB HIS 85 2HB HID 85 -9.460 4.796 2.544 405 2HB HIS 85 3HB HID 85 -8.768 4.437 0.969 406 HD1 HIS 85 1HD HID 85 -11.804 3.786 3.012 407 HD2 HIS 85 2HD HID 85 -9.755 2.061 -0.239 408 HE1 HIS 85 1HE HID 85 -13.458 2.227 1.841 409 H ASP 86 H ASP 86 -9.226 4.190 4.678 410 HA ASP 86 HA ASP 86 -10.271 1.671 5.635 411 1HB ASP 86 2HB ASP 86 -7.883 2.046 6.613 412 2HB ASP 86 3HB ASP 86 -8.598 3.387 7.519 413 H SER 87 H SER 87 -11.414 2.413 7.879 414 HA SER 87 HA SER 87 -13.599 4.119 7.217 415 1HB SER 87 2HB SER 87 -12.488 3.143 9.883 416 2HB SER 87 3HB SER 87 -14.102 3.850 9.638 417 HG SER 87 HG SER 87 -13.866 1.440 9.557 418 H LEU 88 H LEU 88 -10.385 4.761 8.467 419 HA LEU 88 HA LEU 88 -10.986 7.315 9.612 420 1HB LEU 88 2HB LEU 88 -8.599 5.688 9.076 421 2HB LEU 88 3HB LEU 88 -8.295 7.429 8.945 422 HG LEU 88 HG LEU 88 -9.755 6.319 11.349 423 1HD1 LEU 88 1HD1 LEU 88 -7.699 5.013 11.199 424 2HD1 LEU 88 2HD1 LEU 88 -6.736 6.487 10.954 425 3HD1 LEU 88 3HD1 LEU 88 -7.559 6.202 12.503 426 1HD2 LEU 88 1HD2 LEU 88 -7.921 8.736 10.933 427 2HD2 LEU 88 2HD2 LEU 88 -9.693 8.808 10.929 428 3HD2 LEU 88 3HD2 LEU 88 -8.828 8.346 12.406 429 H GLY 89 H GLY 89 -11.170 6.414 6.358 430 1HA GLY 89 1HA GLY 89 -11.859 7.761 4.643 431 2HA GLY 89 2HA GLY 89 -12.070 9.052 5.838 432 H GLY 90 H GLY 90 -9.101 7.337 4.925 433 1HA GLY 90 1HA GLY 90 -8.088 9.628 3.348 434 2HA GLY 90 2HA GLY 90 -7.088 8.973 4.670 435 H GLU 91 H GLU 91 -6.806 8.819 1.607 436 HA GLU 91 HA GLU 91 -6.751 5.849 1.310 437 1HB GLU 91 2HB GLU 91 -8.531 6.974 -0.039 438 2HB GLU 91 3HB GLU 91 -7.283 7.964 -0.820 439 1HG GLU 91 2HG GLU 91 -6.214 5.955 -1.698 440 2HG GLU 91 3HG GLU 91 -7.380 4.911 -0.867 441 H ILE 92 H ILE 92 -4.753 5.057 0.831 442 HA ILE 92 HA ILE 92 -2.577 7.006 0.213 443 HB ILE 92 HB ILE 92 -2.726 5.639 2.507 444 1HG1 ILE 92 2HG1 ILE 92 -0.949 7.172 2.323 445 2HG1 ILE 92 3HG1 ILE 92 -0.225 5.628 2.691 446 1HG2 ILE 92 1HG2 ILE 92 -1.184 3.664 0.802 447 2HG2 ILE 92 2HG2 ILE 92 -1.449 3.621 2.553 448 3HG2 ILE 92 3HG2 ILE 92 -2.823 3.436 1.455 449 1HD1 ILE 92 1HD1 ILE 92 1.058 6.866 1.130 450 2HD1 ILE 92 2HD1 ILE 92 0.391 5.456 0.264 451 3HD1 ILE 92 3HD1 ILE 92 -0.315 7.100 0.055 452 H LEU 93 H LEU 93 -1.333 6.477 -1.588 453 HA LEU 93 HA LEU 93 -2.320 4.267 -3.284 454 1HB LEU 93 2HB LEU 93 -0.798 6.830 -3.705 455 2HB LEU 93 3HB LEU 93 -0.399 5.498 -4.788 456 HG LEU 93 HG LEU 93 -3.287 6.329 -4.401 457 1HD1 LEU 93 1HD1 LEU 93 -1.280 7.417 -6.434 458 2HD1 LEU 93 2HD1 LEU 93 -3.030 7.711 -6.446 459 3HD1 LEU 93 3HD1 LEU 93 -2.039 8.346 -5.120 460 1HD2 LEU 93 1HD2 LEU 93 -1.729 5.020 -6.689 461 2HD2 LEU 93 2HD2 LEU 93 -2.752 4.136 -5.535 462 3HD2 LEU 93 3HD2 LEU 93 -3.483 5.302 -6.652 463 H VAL 94 H VAL 94 -1.174 2.448 -3.650 464 HA VAL 94 HA VAL 94 1.597 2.204 -2.546 465 HB VAL 94 HB VAL 94 -0.597 0.113 -2.808 466 1HG1 VAL 94 1HG1 VAL 94 0.931 -1.267 -1.398 467 2HG1 VAL 94 2HG1 VAL 94 1.649 -0.868 -2.964 468 3HG1 VAL 94 3HG1 VAL 94 2.160 0.012 -1.505 469 1HG2 VAL 94 1HG2 VAL 94 -1.179 1.722 -1.024 470 2HG2 VAL 94 2HG2 VAL 94 -0.718 0.161 -0.348 471 3HG2 VAL 94 3HG2 VAL 94 0.432 1.520 -0.304 472 H THR 95 H THR 95 3.146 1.457 -4.029 473 HA THR 95 HA THR 95 2.156 0.800 -6.770 474 HB THR 95 HB THR 95 4.511 1.637 -7.360 475 HG1 THR 95 1HG THR 95 5.371 3.020 -5.641 476 1HG2 THR 95 1HG2 THR 95 3.896 4.020 -7.168 477 2HG2 THR 95 2HG2 THR 95 2.487 3.069 -7.667 478 3HG2 THR 95 3HG2 THR 95 2.634 3.628 -5.986 479 H TYR 96 H TYR 96 3.061 -0.982 -7.849 480 HA TYR 96 HA TYR 96 4.786 -2.841 -6.329 481 1HB TYR 96 2HB TYR 96 2.282 -3.068 -5.838 482 2HB TYR 96 3HB TYR 96 2.047 -3.507 -7.500 483 HD1 TYR 96 HD1 TYR 96 3.625 -5.534 -8.302 484 HD2 TYR 96 HD2 TYR 96 2.362 -4.785 -4.274 485 HE1 TYR 96 HE1 TYR 96 3.949 -7.947 -7.761 486 HE2 TYR 96 HE2 TYR 96 2.666 -7.182 -3.741 487 HH TYR 96 HH TYR 96 3.994 -9.074 -4.509 488 H ASP 97 H ASP 97 6.192 -3.958 -7.725 489 HA ASP 97 HA ASP 97 6.030 -3.264 -10.604 490 1HB ASP 97 2HB ASP 97 8.461 -3.033 -10.376 491 2HB ASP 97 3HB ASP 97 7.609 -1.964 -9.257 492 H ASP 98 H ASP 98 4.877 -5.704 -9.741 493 HA ASP 98 HA ASP 98 6.019 -7.375 -11.672 494 1HB ASP 98 2HB ASP 98 7.484 -7.959 -9.611 495 2HB ASP 98 3HB ASP 98 6.025 -8.649 -8.894 496 H LEU 99 H LEU 99 4.530 -9.573 -11.475 497 HA LEU 99 HA LEU 99 1.798 -8.563 -11.540 498 1HB LEU 99 2HB LEU 99 2.899 -11.398 -11.730 499 2HB LEU 99 3HB LEU 99 1.187 -10.979 -11.754 500 HG LEU 99 HG LEU 99 1.864 -9.299 -13.669 501 1HD1 LEU 99 1HD1 LEU 99 4.042 -11.432 -13.883 502 2HD1 LEU 99 2HD1 LEU 99 3.627 -10.255 -15.146 503 3HD1 LEU 99 3HD1 LEU 99 4.308 -9.697 -13.616 504 1HD2 LEU 99 1HD2 LEU 99 1.593 -12.296 -14.084 505 2HD2 LEU 99 2HD2 LEU 99 0.268 -11.121 -13.907 506 3HD2 LEU 99 3HD2 LEU 99 1.330 -11.044 -15.321 507 H LEU 100 H LEU 100 0.330 -8.426 -9.980 508 HA LEU 100 HA LEU 100 0.953 -9.075 -7.259 509 1HB LEU 100 2HB LEU 100 -1.551 -8.161 -8.747 510 2HB LEU 100 3HB LEU 100 -1.571 -8.494 -7.016 511 HG LEU 100 HG LEU 100 0.549 -6.635 -8.079 512 1HD1 LEU 100 1HD1 LEU 100 -0.874 -4.692 -7.817 513 2HD1 LEU 100 2HD1 LEU 100 -1.600 -5.755 -9.046 514 3HD1 LEU 100 3HD1 LEU 100 -2.269 -5.671 -7.406 515 1HD2 LEU 100 1HD2 LEU 100 -1.068 -6.723 -5.508 516 2HD2 LEU 100 2HD2 LEU 100 0.571 -7.350 -5.743 517 3HD2 LEU 100 3HD2 LEU 100 0.246 -5.603 -5.870 518 HA PRO 101 HA PRO 101 -0.714 -13.276 -7.087 519 1HB PRO 101 2HB PRO 101 -1.677 -13.414 -4.533 520 2HB PRO 101 3HB PRO 101 0.077 -13.331 -4.876 521 1HG PRO 101 2HG PRO 101 -1.774 -11.015 -4.217 522 2HG PRO 101 3HG PRO 101 -0.257 -11.425 -3.384 523 1HD PRO 101 2HD PRO 101 -0.307 -9.587 -5.360 524 2HD PRO 101 3HD PRO 101 1.042 -10.759 -5.322 525 H ASP 102 H ASP 102 -2.751 -14.182 -7.550 526 HA ASP 102 HA ASP 102 -4.849 -14.142 -8.427 527 1HB ASP 102 2HB ASP 102 -5.167 -12.961 -5.640 528 2HB ASP 102 3HB ASP 102 -6.547 -13.156 -6.708 529 H LEU 103 H LEU 103 -3.197 -11.774 -9.274 530 HA LEU 103 HA LEU 103 -3.436 -9.800 -10.335 531 1HB LEU 103 2HB LEU 103 -4.901 -10.938 -11.781 532 2HB LEU 103 3HB LEU 103 -6.247 -10.903 -10.656 533 HG LEU 103 HG LEU 103 -6.597 -8.539 -10.973 534 1HD1 LEU 103 1HD1 LEU 103 -4.393 -8.769 -13.114 535 2HD1 LEU 103 2HD1 LEU 103 -5.415 -7.347 -12.822 536 3HD1 LEU 103 3HD1 LEU 103 -4.219 -7.841 -11.617 537 1HD2 LEU 103 1HD2 LEU 103 -7.735 -10.205 -12.340 538 2HD2 LEU 103 2HD2 LEU 103 -7.424 -8.738 -13.287 539 3HD2 LEU 103 3HD2 LEU 103 -6.411 -10.183 -13.522 540 H PHE 104 H PHE 104 -4.305 -10.179 -7.277 541 HA PHE 104 HA PHE 104 -4.971 -8.973 -5.549 542 1HB PHE 104 2HB PHE 104 -3.323 -7.381 -6.607 543 2HB PHE 104 3HB PHE 104 -4.677 -6.449 -7.201 544 HD1 PHE 104 HD1 PHE 104 -2.755 -7.569 -4.204 545 HD2 PHE 104 HD2 PHE 104 -6.004 -5.085 -5.603 546 HE1 PHE 104 HE1 PHE 104 -2.388 -6.036 -2.341 547 HE2 PHE 104 HE2 PHE 104 -5.530 -3.496 -3.744 548 HZ PHE 104 HZ PHE 104 -3.855 -4.029 -2.060 549 H ARG 105 H ARG 105 -7.048 -9.897 -5.598 550 HA ARG 105 HA ARG 105 -9.150 -8.899 -7.291 551 1HB ARG 105 2HB ARG 105 -9.119 -10.559 -4.736 552 2HB ARG 105 3HB ARG 105 -10.599 -10.213 -5.646 553 1HG ARG 105 2HG ARG 105 -10.093 -11.650 -7.358 554 2HG ARG 105 3HG ARG 105 -8.364 -11.363 -7.226 555 1HD ARG 105 2HD ARG 105 -8.832 -13.646 -6.634 556 2HD ARG 105 3HD ARG 105 -8.200 -12.774 -5.225 557 HE ARG 105 HE ARG 105 -10.995 -12.655 -5.032 558 1HH1 ARG 105 2HH2 ARG 105 -8.407 -15.138 -5.044 559 2HH1 ARG 105 1HH2 ARG 105 -9.289 -16.246 -4.064 560 1HH2 ARG 105 1HH1 ARG 105 -12.181 -14.219 -3.645 561 2HH2 ARG 105 2HH1 ARG 105 -11.443 -15.721 -3.301 562 H GLU 106 H GLU 106 -10.615 -7.262 -6.911 563 HA GLU 106 HA GLU 106 -9.903 -5.393 -4.850 564 1HB GLU 106 2HB GLU 106 -12.137 -5.208 -6.908 565 2HB GLU 106 3HB GLU 106 -11.317 -3.904 -6.029 566 1HG GLU 106 2HG GLU 106 -10.219 -3.762 -8.021 567 2HG GLU 106 3HG GLU 106 -9.127 -4.860 -7.172 568 H GLY 107 H GLY 107 -11.746 -4.217 -3.626 569 1HA GLY 107 1HA GLY 107 -13.369 -4.253 -2.030 570 2HA GLY 107 2HA GLY 107 -14.193 -5.474 -3.010 571 H GLN 108 H GLN 108 -11.045 -5.581 -1.237 572 HA GLN 108 HA GLN 108 -12.166 -7.226 0.895 573 1HB GLN 108 2HB GLN 108 -10.308 -8.902 0.660 574 2HB GLN 108 3HB GLN 108 -11.556 -9.030 -0.577 575 1HG GLN 108 2HG GLN 108 -10.250 -8.235 -2.271 576 2HG GLN 108 3HG GLN 108 -9.193 -7.275 -1.226 577 1HE2 GLN 108 1HE2 GLN 108 -7.984 -8.661 -3.158 578 2HE2 GLN 108 2HE2 GLN 108 -7.081 -9.998 -2.442 579 H GLY 109 H GLY 109 -10.148 -7.711 2.450 580 1HA GLY 109 1HA GLY 109 -8.503 -5.232 2.588 581 2HA GLY 109 2HA GLY 109 -9.213 -5.970 3.998 582 H ILE 110 H ILE 110 -6.469 -5.514 2.369 583 HA ILE 110 HA ILE 110 -5.212 -8.200 2.820 584 HB ILE 110 HB ILE 110 -3.869 -7.887 0.873 585 1HG1 ILE 110 2HG1 ILE 110 -4.752 -5.953 -0.719 586 2HG1 ILE 110 3HG1 ILE 110 -4.990 -5.097 0.800 587 1HG2 ILE 110 1HG2 ILE 110 -6.202 -8.860 0.663 588 2HG2 ILE 110 2HG2 ILE 110 -6.739 -7.280 0.064 589 3HG2 ILE 110 3HG2 ILE 110 -5.517 -8.199 -0.832 590 1HD1 ILE 110 1HD1 ILE 110 -2.723 -4.731 -0.253 591 2HD1 ILE 110 2HD1 ILE 110 -2.615 -5.400 1.360 592 3HD1 ILE 110 3HD1 ILE 110 -2.372 -6.462 -0.052 593 H VAL 111 H VAL 111 -2.773 -7.932 3.044 594 HA VAL 111 HA VAL 111 -2.052 -5.303 4.224 595 HB VAL 111 HB VAL 111 -0.420 -6.423 5.641 596 1HG1 VAL 111 1HG1 VAL 111 -1.983 -7.252 7.372 597 2HG1 VAL 111 2HG1 VAL 111 -2.547 -5.755 6.620 598 3HG1 VAL 111 3HG1 VAL 111 -3.290 -7.297 6.174 599 1HG2 VAL 111 1HG2 VAL 111 -0.119 -8.555 4.490 600 2HG2 VAL 111 2HG2 VAL 111 -0.651 -8.867 6.148 601 3HG2 VAL 111 3HG2 VAL 111 -1.804 -9.005 4.816 602 H ALA 112 H ALA 112 -0.193 -4.448 3.451 603 HA ALA 112 HA ALA 112 1.358 -5.968 1.399 604 1HB ALA 112 1HB ALA 112 1.461 -4.067 -0.011 605 2HB ALA 112 2HB ALA 112 -0.267 -4.209 0.429 606 3HB ALA 112 3HB ALA 112 0.769 -3.009 1.198 607 H GLN 113 H GLN 113 3.498 -6.020 1.866 608 HA GLN 113 HA GLN 113 4.552 -4.150 3.944 609 1HB GLN 113 2HB GLN 113 4.844 -6.437 4.546 610 2HB GLN 113 3HB GLN 113 5.329 -6.823 2.920 611 1HG GLN 113 2HG GLN 113 7.450 -5.548 3.196 612 2HG GLN 113 3HG GLN 113 6.934 -5.014 4.800 613 1HE2 GLN 113 1HE2 GLN 113 6.437 -8.303 3.521 614 2HE2 GLN 113 2HE2 GLN 113 7.965 -8.867 3.923 615 H GLY 114 H GLY 114 6.038 -2.636 3.377 616 1HA GLY 114 1HA GLY 114 7.471 -2.796 0.844 617 2HA GLY 114 2HA GLY 114 6.136 -1.601 0.884 618 H VAL 115 H VAL 115 8.506 -0.621 0.432 619 HA VAL 115 HA VAL 115 9.301 0.673 2.988 620 HB VAL 115 HB VAL 115 11.211 -0.534 2.446 621 1HG1 VAL 115 1HG1 VAL 115 11.022 0.507 -0.423 622 2HG1 VAL 115 2HG1 VAL 115 12.353 -0.458 0.244 623 3HG1 VAL 115 3HG1 VAL 115 10.745 -1.173 0.090 624 1HG2 VAL 115 1HG2 VAL 115 11.587 1.829 3.045 625 2HG2 VAL 115 2HG2 VAL 115 12.889 1.123 2.083 626 3HG2 VAL 115 3HG2 VAL 115 11.734 2.229 1.321 627 H LEU 116 H LEU 116 9.234 2.773 3.090 628 HA LEU 116 HA LEU 116 7.696 4.129 1.002 629 1HB LEU 116 2HB LEU 116 8.987 5.077 3.595 630 2HB LEU 116 3HB LEU 116 8.186 6.139 2.414 631 HG LEU 116 HG LEU 116 6.188 4.491 2.572 632 1HD1 LEU 116 1HD1 LEU 116 5.825 3.559 4.768 633 2HD1 LEU 116 2HD1 LEU 116 7.068 2.692 3.866 634 3HD1 LEU 116 3HD1 LEU 116 7.542 3.806 5.185 635 1HD2 LEU 116 1HD2 LEU 116 6.197 6.786 3.262 636 2HD2 LEU 116 2HD2 LEU 116 5.272 5.814 4.424 637 3HD2 LEU 116 3HD2 LEU 116 6.919 6.374 4.836 638 H GLY 117 H GLY 117 8.486 5.053 -0.734 639 1HA GLY 117 1HA GLY 117 11.430 5.681 -0.911 640 2HA GLY 117 2HA GLY 117 10.629 4.598 -2.048 641 H GLU 118 H GLU 118 8.103 6.363 -2.100 642 HA GLU 118 HA GLU 118 9.211 8.172 -4.187 643 1HB GLU 118 2HB GLU 118 6.581 6.773 -3.796 644 2HB GLU 118 3HB GLU 118 7.063 7.609 -5.283 645 1HG GLU 118 2HG GLU 118 8.393 5.812 -5.957 646 2HG GLU 118 3HG GLU 118 8.787 5.305 -4.312 647 H ASP 119 H ASP 119 9.257 9.134 -1.713 648 HA ASP 119 HA ASP 119 8.198 10.305 -0.026 649 1HB ASP 119 2HB ASP 119 9.980 11.530 -1.223 650 2HB ASP 119 3HB ASP 119 8.759 12.279 -2.271 651 H GLY 120 H GLY 120 6.139 9.286 -0.202 652 1HA GLY 120 1HA GLY 120 3.837 10.489 0.198 653 2HA GLY 120 2HA GLY 120 3.967 10.876 -1.517 654 H LYS 121 H LYS 121 5.318 8.275 -2.192 655 HA LYS 121 HA LYS 121 2.972 6.444 -1.879 656 1HB LYS 121 2HB LYS 121 4.563 6.978 -4.412 657 2HB LYS 121 3HB LYS 121 3.946 5.381 -4.043 658 1HG LYS 121 2HG LYS 121 2.325 6.380 -5.384 659 2HG LYS 121 3HG LYS 121 1.674 6.290 -3.755 660 1HD LYS 121 2HD LYS 121 1.082 8.374 -4.817 661 2HD LYS 121 3HD LYS 121 2.079 8.714 -3.415 662 1HE LYS 121 2HE LYS 121 3.374 8.412 -6.163 663 2HE LYS 121 3HE LYS 121 2.434 9.857 -5.814 664 1HZ LYS 121 1HZ LYS 121 4.789 10.155 -5.341 665 2HZ LYS 121 2HZ LYS 121 3.916 10.340 -3.975 666 3HZ LYS 121 3HZ LYS 121 4.805 8.993 -4.209 667 H LEU 122 H LEU 122 3.509 4.219 -1.876 668 HA LEU 122 HA LEU 122 6.099 3.736 -0.492 669 1HB LEU 122 2HB LEU 122 3.732 2.058 0.129 670 2HB LEU 122 3HB LEU 122 5.148 2.473 1.083 671 HG LEU 122 HG LEU 122 2.553 3.946 0.687 672 1HD1 LEU 122 1HD1 LEU 122 2.829 2.322 2.474 673 2HD1 LEU 122 2HD1 LEU 122 4.215 3.243 3.097 674 3HD1 LEU 122 3HD1 LEU 122 2.585 3.970 3.097 675 1HD2 LEU 122 1HD2 LEU 122 5.091 5.413 1.022 676 2HD2 LEU 122 2HD2 LEU 122 3.466 5.985 0.636 677 3HD2 LEU 122 3HD2 LEU 122 3.915 5.708 2.312 678 H ALA 123 H ALA 123 7.280 2.093 -1.350 679 HA ALA 123 HA ALA 123 6.158 0.681 -3.721 680 1HB ALA 123 1HB ALA 123 8.997 0.874 -2.630 681 2HB ALA 123 2HB ALA 123 8.500 0.028 -4.114 682 3HB ALA 123 3HB ALA 123 8.315 1.790 -3.995 683 H ALA 124 H ALA 124 5.132 -1.205 -3.267 684 HA ALA 124 HA ALA 124 6.159 -2.929 -1.039 685 1HB ALA 124 1HB ALA 124 4.088 -1.710 -0.341 686 2HB ALA 124 2HB ALA 124 3.262 -2.355 -1.776 687 3HB ALA 124 3HB ALA 124 3.814 -3.457 -0.507 688 H THR 125 H THR 125 6.528 -4.975 -1.633 689 HA THR 125 HA THR 125 5.226 -5.991 -4.120 690 HB THR 125 HB THR 125 7.500 -5.496 -4.622 691 HG1 THR 125 1HG THR 125 6.485 -7.310 -5.564 692 1HG2 THR 125 1HG2 THR 125 8.551 -5.784 -2.378 693 2HG2 THR 125 2HG2 THR 125 8.264 -7.537 -2.489 694 3HG2 THR 125 3HG2 THR 125 9.352 -6.741 -3.635 695 H GLU 126 H GLU 126 5.760 -6.544 -0.695 696 HA GLU 126 HA GLU 126 5.063 -9.434 -0.933 697 1HB GLU 126 2HB GLU 126 6.074 -7.591 1.205 698 2HB GLU 126 3HB GLU 126 5.584 -9.267 1.563 699 1HG GLU 126 2HG GLU 126 7.480 -10.115 0.408 700 2HG GLU 126 3HG GLU 126 7.713 -8.622 -0.510 701 H VAL 127 H VAL 127 2.843 -8.924 -1.688 702 HA VAL 127 HA VAL 127 1.066 -7.782 0.413 703 HB VAL 127 HB VAL 127 -0.716 -7.756 -1.192 704 1HG1 VAL 127 1HG1 VAL 127 0.235 -5.955 -2.724 705 2HG1 VAL 127 2HG1 VAL 127 0.377 -5.754 -0.986 706 3HG1 VAL 127 3HG1 VAL 127 1.802 -6.228 -1.920 707 1HG2 VAL 127 1HG2 VAL 127 1.273 -9.016 -3.086 708 2HG2 VAL 127 2HG2 VAL 127 -0.430 -9.392 -2.719 709 3HG2 VAL 127 3HG2 VAL 127 -0.041 -7.972 -3.670 710 H LEU 128 H LEU 128 -0.096 -9.035 1.684 711 HA LEU 128 HA LEU 128 -0.337 -11.951 1.002 712 1HB LEU 128 2HB LEU 128 -0.308 -10.791 3.783 713 2HB LEU 128 3HB LEU 128 -0.316 -12.471 3.291 714 HG LEU 128 HG LEU 128 1.818 -12.154 4.041 715 1HD1 LEU 128 1HD1 LEU 128 1.768 -13.191 1.752 716 2HD1 LEU 128 2HD1 LEU 128 2.287 -11.624 1.093 717 3HD1 LEU 128 3HD1 LEU 128 3.320 -12.483 2.234 718 1HD2 LEU 128 1HD2 LEU 128 1.877 -9.762 4.339 719 2HD2 LEU 128 2HD2 LEU 128 3.340 -10.309 3.512 720 3HD2 LEU 128 3HD2 LEU 128 2.070 -9.492 2.597 721 H ALA 129 H ALA 129 -2.327 -12.022 0.124 722 HA ALA 129 HA ALA 129 -4.548 -10.402 1.171 723 1HB ALA 129 1HB ALA 129 -5.829 -11.379 -0.669 724 2HB ALA 129 2HB ALA 129 -4.289 -10.725 -1.257 725 3HB ALA 129 3HB ALA 129 -4.489 -12.480 -1.051 726 H LYS 130 H LYS 130 -3.815 -11.755 3.284 727 HA LYS 130 HA LYS 130 -5.264 -14.273 3.562 728 1HB LYS 130 2HB LYS 130 -4.504 -14.381 5.719 729 2HB LYS 130 3HB LYS 130 -3.184 -13.705 4.784 730 1HG LYS 130 2HG LYS 130 -4.868 -12.378 6.941 731 2HG LYS 130 3HG LYS 130 -3.177 -12.744 6.892 732 1HD LYS 130 2HD LYS 130 -3.187 -10.467 6.686 733 2HD LYS 130 3HD LYS 130 -2.831 -11.061 5.079 734 1HE LYS 130 2HE LYS 130 -4.347 -9.057 5.167 735 2HE LYS 130 3HE LYS 130 -5.074 -10.381 4.292 736 1HZ LYS 130 1HZ LYS 130 -6.367 -10.929 6.182 737 2HZ LYS 130 2HZ LYS 130 -5.705 -9.708 7.081 738 3HZ LYS 130 3HZ LYS 130 -6.623 -9.371 5.745 739 H HIS 131 H HID 131 -7.167 -12.926 2.484 740 HA HIS 131 HA HID 131 -8.745 -11.405 4.477 741 1HB HIS 131 2HB HID 131 -10.182 -10.776 2.812 742 2HB HIS 131 3HB HID 131 -8.581 -10.688 2.090 743 HD1 HIS 131 1HD HID 131 -11.985 -11.832 1.294 744 HD2 HIS 131 2HD HID 131 -8.048 -13.071 0.426 745 HE1 HIS 131 1HE HID 131 -12.083 -13.122 -0.865 746 H ASP 132 H ASP 132 -8.873 -14.445 2.697 747 HA ASP 132 HA ASP 132 -10.241 -16.269 2.783 748 1HB ASP 132 2HB ASP 132 -9.485 -15.843 5.697 749 2HB ASP 132 3HB ASP 132 -10.007 -17.372 4.976 Start of MODEL 2 1 H SER 32 H SER 32 14.590 0.494 16.710 2 HA SER 32 HA SER 32 15.925 -0.487 15.178 3 1HB SER 32 2HB SER 32 15.305 -2.457 16.704 4 2HB SER 32 3HB SER 32 14.153 -2.949 15.455 5 HG SER 32 HG SER 32 16.974 -2.840 15.351 6 H ASN 33 H ASN 33 15.503 -2.369 13.248 7 HA ASN 33 HA ASN 33 13.870 -0.981 11.184 8 1HB ASN 33 2HB ASN 33 16.466 -2.536 11.120 9 2HB ASN 33 3HB ASN 33 15.425 -2.536 9.699 10 1HD2 ASN 33 1HD2 ASN 33 15.377 -0.778 8.326 11 2HD2 ASN 33 2HD2 ASN 33 16.291 0.687 8.641 12 H LEU 34 H LEU 34 11.868 -2.022 11.661 13 HA LEU 34 HA LEU 34 11.759 -4.824 10.776 14 1HB LEU 34 2HB LEU 34 11.255 -3.871 13.546 15 2HB LEU 34 3HB LEU 34 9.906 -4.783 12.877 16 HG LEU 34 HG LEU 34 12.757 -5.843 12.772 17 1HD1 LEU 34 1HD1 LEU 34 12.190 -5.441 15.123 18 2HD1 LEU 34 2HD1 LEU 34 10.647 -6.299 14.922 19 3HD1 LEU 34 3HD1 LEU 34 12.185 -7.177 14.772 20 1HD2 LEU 34 1HD2 LEU 34 10.019 -7.200 12.612 21 2HD2 LEU 34 2HD2 LEU 34 11.104 -6.928 11.236 22 3HD2 LEU 34 3HD2 LEU 34 11.591 -8.019 12.537 23 H ASN 35 H ASN 35 9.855 -5.376 9.814 24 HA ASN 35 HA ASN 35 8.360 -3.169 8.640 25 1HB ASN 35 2HB ASN 35 8.097 -6.203 8.355 26 2HB ASN 35 3HB ASN 35 7.265 -4.995 7.371 27 1HD2 ASN 35 1HD2 ASN 35 8.263 -4.444 5.439 28 2HD2 ASN 35 2HD2 ASN 35 9.921 -4.875 5.084 29 H LEU 36 H LEU 36 6.841 -2.271 10.057 30 HA LEU 36 HA LEU 36 5.163 -4.121 11.673 31 1HB LEU 36 2HB LEU 36 4.834 -2.553 13.254 32 2HB LEU 36 3HB LEU 36 6.517 -2.352 12.812 33 HG LEU 36 HG LEU 36 5.657 -0.244 13.235 34 1HD1 LEU 36 1HD1 LEU 36 5.643 -0.396 10.200 35 2HD1 LEU 36 2HD1 LEU 36 5.932 1.032 11.204 36 3HD1 LEU 36 3HD1 LEU 36 7.093 -0.309 11.228 37 1HD2 LEU 36 1HD2 LEU 36 3.370 -0.435 11.266 38 2HD2 LEU 36 2HD2 LEU 36 3.207 -0.877 12.982 39 3HD2 LEU 36 3HD2 LEU 36 3.686 0.760 12.524 40 H PHE 37 H PHE 37 2.890 -3.760 11.814 41 HA PHE 37 HA PHE 37 1.729 -3.195 9.158 42 1HB PHE 37 2HB PHE 37 0.597 -4.439 11.688 43 2HB PHE 37 3HB PHE 37 -0.299 -4.186 10.206 44 HD1 PHE 37 1HD PHE 37 -0.111 -5.685 8.328 45 HD2 PHE 37 2HD PHE 37 2.476 -6.144 11.750 46 HE1 PHE 37 1HE PHE 37 0.492 -7.971 7.581 47 HE2 PHE 37 2HE PHE 37 3.082 -8.417 10.985 48 HZ PHE 37 HZ PHE 37 2.123 -9.324 8.871 49 H TYR 38 H TYR 38 1.042 -1.128 8.782 50 HA TYR 38 HA TYR 38 -0.346 0.321 10.981 51 1HB TYR 38 2HB TYR 38 1.968 1.095 9.415 52 2HB TYR 38 3HB TYR 38 0.626 2.092 8.891 53 HD1 TYR 38 HD1 TYR 38 -0.902 2.497 11.461 54 HD2 TYR 38 HD2 TYR 38 3.327 2.628 10.588 55 HE1 TYR 38 HE1 TYR 38 -0.572 4.015 13.329 56 HE2 TYR 38 HE2 TYR 38 3.624 4.304 12.381 57 HH TYR 38 HH TYR 38 0.768 5.656 14.073 58 H THR 39 H THR 39 -2.199 1.674 10.255 59 HA THR 39 HA THR 39 -3.556 0.546 7.961 60 HB THR 39 HB THR 39 -5.312 2.224 8.868 61 HG1 THR 39 1HG THR 39 -4.887 2.984 10.894 62 1HG2 THR 39 1HG2 THR 39 -4.344 -0.057 10.649 63 2HG2 THR 39 2HG2 THR 39 -5.951 0.705 10.696 64 3HG2 THR 39 3HG2 THR 39 -5.451 -0.204 9.262 65 HA PRO 40 HA PRO 40 -2.323 3.684 5.119 66 1HB PRO 40 2HB PRO 40 -4.603 4.046 3.596 67 2HB PRO 40 3HB PRO 40 -3.456 2.690 3.447 68 1HG PRO 40 2HG PRO 40 -6.037 2.787 4.985 69 2HG PRO 40 3HG PRO 40 -5.474 1.484 3.893 70 1HD PRO 40 2HD PRO 40 -5.246 1.250 6.563 71 2HD PRO 40 3HD PRO 40 -3.900 0.727 5.510 72 H SER 41 H SER 41 -5.490 4.210 6.701 73 HA SER 41 HA SER 41 -6.034 6.895 6.390 74 1HB SER 41 2HB SER 41 -6.820 6.551 8.896 75 2HB SER 41 3HB SER 41 -7.531 5.575 7.608 76 HG SER 41 HG SER 41 -6.846 4.060 9.150 77 H GLU 42 H GLU 42 -4.089 5.414 8.966 78 HA GLU 42 HA GLU 42 -3.231 7.834 10.107 79 1HB GLU 42 2HB GLU 42 -3.090 5.606 11.175 80 2HB GLU 42 3HB GLU 42 -1.712 5.188 10.155 81 1HG GLU 42 2HG GLU 42 -0.269 6.478 11.342 82 2HG GLU 42 3HG GLU 42 -1.396 7.842 11.459 83 H ILE 43 H ILE 43 -1.480 5.764 7.691 84 HA ILE 43 HA ILE 43 0.702 7.575 7.684 85 HB ILE 43 HB ILE 43 1.598 6.357 5.739 86 1HG1 ILE 43 2HG1 ILE 43 -0.602 4.376 6.362 87 2HG1 ILE 43 3HG1 ILE 43 -0.663 5.480 4.975 88 1HG2 ILE 43 1HG2 ILE 43 2.213 5.987 8.108 89 2HG2 ILE 43 2HG2 ILE 43 0.882 4.822 8.276 90 3HG2 ILE 43 3HG2 ILE 43 2.254 4.484 7.200 91 1HD1 ILE 43 1HD1 ILE 43 1.447 3.331 5.497 92 2HD1 ILE 43 2HD1 ILE 43 0.182 3.309 4.273 93 3HD1 ILE 43 3HD1 ILE 43 1.495 4.496 4.155 94 H VAL 44 H VAL 44 -2.278 8.007 6.141 95 HA VAL 44 HA VAL 44 -1.334 9.946 4.168 96 HB VAL 44 HB VAL 44 -4.048 9.407 5.383 97 1HG1 VAL 44 1HG1 VAL 44 -4.947 10.793 3.500 98 2HG1 VAL 44 2HG1 VAL 44 -4.041 11.758 4.663 99 3HG1 VAL 44 3HG1 VAL 44 -3.291 11.300 3.118 100 1HG2 VAL 44 1HG2 VAL 44 -4.632 8.459 3.283 101 2HG2 VAL 44 2HG2 VAL 44 -3.022 8.814 2.604 102 3HG2 VAL 44 3HG2 VAL 44 -3.218 7.615 3.901 103 H ASN 45 H ASN 45 -2.241 9.982 7.636 104 HA ASN 45 HA ASN 45 -2.602 12.957 7.486 105 1HB ASN 45 2HB ASN 45 -3.740 10.853 9.320 106 2HB ASN 45 3HB ASN 45 -3.887 12.596 9.588 107 1HD2 ASN 45 1HD2 ASN 45 -4.931 9.928 7.448 108 2HD2 ASN 45 2HD2 ASN 45 -6.171 10.895 6.643 109 H GLY 46 H GLY 46 -0.465 13.547 7.696 110 1HA GLY 46 1HA GLY 46 1.198 14.517 9.001 111 2HA GLY 46 2HA GLY 46 0.284 14.063 10.454 112 H LYS 47 H LYS 47 1.751 12.261 7.789 113 HA LYS 47 HA LYS 47 3.636 10.733 9.288 114 1HB LYS 47 2HB LYS 47 1.070 9.587 8.147 115 2HB LYS 47 3HB LYS 47 2.429 8.540 8.653 116 1HG LYS 47 2HG LYS 47 0.754 10.211 10.515 117 2HG LYS 47 3HG LYS 47 0.617 8.486 10.243 118 1HD LYS 47 2HD LYS 47 2.782 7.984 11.125 119 2HD LYS 47 3HD LYS 47 3.257 9.679 11.079 120 1HE LYS 47 2HE LYS 47 2.860 9.681 13.204 121 2HE LYS 47 3HE LYS 47 1.207 10.037 12.735 122 1HZ LYS 47 1HZ LYS 47 1.395 8.244 14.402 123 2HZ LYS 47 2HZ LYS 47 0.600 7.738 13.121 124 3HZ LYS 47 3HZ LYS 47 2.129 7.254 13.333 125 H THR 48 H THR 48 3.604 8.646 7.113 126 HA THR 48 HA THR 48 5.490 9.432 5.517 127 HB THR 48 HB THR 48 3.167 7.689 4.626 128 HG1 THR 48 1HG THR 48 5.354 6.997 6.284 129 1HG2 THR 48 1HG2 THR 48 6.181 7.567 4.120 130 2HG2 THR 48 2HG2 THR 48 5.004 6.312 3.673 131 3HG2 THR 48 3HG2 THR 48 4.918 7.920 2.931 132 H ASP 49 H ASP 49 2.022 9.802 4.431 133 HA ASP 49 HA ASP 49 2.352 10.892 1.922 134 1HB ASP 49 2HB ASP 49 0.171 10.661 2.733 135 2HB ASP 49 3HB ASP 49 0.525 11.575 4.220 136 H THR 50 H THR 50 2.748 12.645 4.992 137 HA THR 50 HA THR 50 3.561 15.095 3.551 138 HB THR 50 HB THR 50 3.091 14.978 6.503 139 HG1 THR 50 1HG THR 50 1.076 14.423 4.603 140 1HG2 THR 50 1HG2 THR 50 2.133 16.876 4.317 141 2HG2 THR 50 2HG2 THR 50 1.945 17.110 6.069 142 3HG2 THR 50 3HG2 THR 50 3.565 17.126 5.343 143 H GLY 51 H GLY 51 5.107 12.427 4.801 144 1HA GLY 51 1HA GLY 51 7.114 11.922 5.703 145 2HA GLY 51 2HA GLY 51 7.671 13.323 4.781 146 H VAL 52 H VAL 52 5.445 13.602 7.557 147 HA VAL 52 HA VAL 52 7.374 15.476 8.744 148 HB VAL 52 HB VAL 52 5.584 15.967 10.372 149 1HG1 VAL 52 1HG1 VAL 52 4.801 16.192 7.450 150 2HG1 VAL 52 2HG1 VAL 52 4.177 17.177 8.784 151 3HG1 VAL 52 3HG1 VAL 52 5.887 17.282 8.325 152 1HG2 VAL 52 1HG2 VAL 52 4.378 13.772 10.295 153 2HG2 VAL 52 2HG2 VAL 52 3.334 15.176 10.033 154 3HG2 VAL 52 3HG2 VAL 52 3.823 14.170 8.656 155 H LYS 53 H LYS 53 6.351 12.217 9.480 156 HA LYS 53 HA LYS 53 8.017 12.272 11.964 157 1HB LYS 53 2HB LYS 53 5.269 11.070 11.604 158 2HB LYS 53 3HB LYS 53 6.385 10.589 12.904 159 1HG LYS 53 2HG LYS 53 6.510 12.898 13.688 160 2HG LYS 53 3HG LYS 53 5.547 13.465 12.320 161 1HD LYS 53 2HD LYS 53 3.621 12.087 13.094 162 2HD LYS 53 3HD LYS 53 4.580 11.611 14.525 163 1HE LYS 53 2HE LYS 53 4.864 14.089 15.025 164 2HE LYS 53 3HE LYS 53 3.751 14.448 13.699 165 1HZ LYS 53 1HZ LYS 53 3.071 12.893 16.110 166 2HZ LYS 53 2HZ LYS 53 2.630 14.443 15.804 167 3HZ LYS 53 3HZ LYS 53 2.044 13.232 14.864 168 HA PRO 54 HA PRO 54 9.062 8.037 10.096 169 1HB PRO 54 2HB PRO 54 7.688 7.009 8.010 170 2HB PRO 54 3HB PRO 54 7.185 6.746 9.706 171 1HG PRO 54 2HG PRO 54 6.130 8.799 7.757 172 2HG PRO 54 3HG PRO 54 5.179 7.692 8.792 173 1HD PRO 54 2HD PRO 54 5.725 10.288 9.468 174 2HD PRO 54 3HD PRO 54 5.628 8.993 10.714 175 H GLU 55 H GLU 55 10.852 8.468 8.839 176 HA GLU 55 HA GLU 55 10.856 10.529 6.771 177 1HB GLU 55 2HB GLU 55 12.822 8.920 8.310 178 2HB GLU 55 3HB GLU 55 13.215 8.960 6.598 179 1HG GLU 55 2HG GLU 55 12.609 11.489 8.171 180 2HG GLU 55 3HG GLU 55 14.228 10.797 8.000 181 H ALA 56 H ALA 56 11.831 9.842 4.631 182 HA ALA 56 HA ALA 56 10.411 7.464 3.531 183 1HB ALA 56 1HB ALA 56 10.552 9.468 2.122 184 2HB ALA 56 2HB ALA 56 12.327 9.343 2.121 185 3HB ALA 56 3HB ALA 56 11.326 8.067 1.372 186 H GLY 57 H GLY 57 11.986 6.090 2.114 187 1HA GLY 57 1HA GLY 57 13.986 4.564 2.479 188 2HA GLY 57 2HA GLY 57 13.643 4.789 4.220 189 H GLN 58 H GLN 58 10.271 3.639 3.859 190 HA GLN 58 HA GLN 58 12.611 2.592 5.173 191 1HB GLN 58 2HB GLN 58 10.111 3.723 6.532 192 2HB GLN 58 3HB GLN 58 11.300 2.674 7.318 193 1HG GLN 58 2HG GLN 58 13.070 4.361 6.926 194 2HG GLN 58 3HG GLN 58 11.877 5.441 6.188 195 1HE2 GLN 58 1HE2 GLN 58 10.291 6.460 7.507 196 2HE2 GLN 58 2HE2 GLN 58 10.296 6.298 9.269 197 H ARG 59 H ARG 59 11.689 0.585 6.342 198 HA ARG 59 HA ARG 59 9.968 -0.872 4.454 199 1HB ARG 59 2HB ARG 59 11.572 -1.545 7.003 200 2HB ARG 59 3HB ARG 59 10.560 -2.738 6.231 201 1HG ARG 59 2HG ARG 59 12.912 -1.387 4.842 202 2HG ARG 59 3HG ARG 59 13.007 -2.910 5.739 203 1HD ARG 59 2HD ARG 59 10.766 -3.096 4.035 204 2HD ARG 59 3HD ARG 59 12.070 -2.461 3.021 205 HE ARG 59 HE ARG 59 13.306 -4.555 4.224 206 1HH1 ARG 59 2HH2 ARG 59 10.253 -4.243 2.488 207 2HH1 ARG 59 1HH2 ARG 59 9.922 -5.930 2.403 208 1HH2 ARG 59 1HH1 ARG 59 13.146 -6.854 3.692 209 2HH2 ARG 59 2HH1 ARG 59 11.786 -7.415 2.768 210 H ILE 60 H ILE 60 7.661 -1.064 4.896 211 HA ILE 60 HA ILE 60 6.857 -1.448 7.640 212 HB ILE 60 HB ILE 60 5.090 0.214 7.663 213 1HG1 ILE 60 2HG1 ILE 60 6.363 1.798 5.453 214 2HG1 ILE 60 3HG1 ILE 60 5.205 0.533 5.018 215 1HG2 ILE 60 1HG2 ILE 60 7.251 0.776 8.780 216 2HG2 ILE 60 2HG2 ILE 60 7.732 1.694 7.341 217 3HG2 ILE 60 3HG2 ILE 60 6.328 2.194 8.283 218 1HD1 ILE 60 1HD1 ILE 60 4.038 2.653 5.226 219 2HD1 ILE 60 2HD1 ILE 60 3.499 1.528 6.482 220 3HD1 ILE 60 3HD1 ILE 60 4.612 2.854 6.891 221 H ARG 61 H ARG 61 4.350 -1.889 7.550 222 HA ARG 61 HA ARG 61 3.594 -2.924 4.855 223 1HB ARG 61 2HB ARG 61 2.326 -4.166 7.255 224 2HB ARG 61 3HB ARG 61 2.699 -4.846 5.676 225 1HG ARG 61 3HG ARG 61 5.178 -4.708 6.416 226 2HG ARG 61 2HG ARG 61 4.557 -4.310 8.017 227 1HD ARG 61 2HD ARG 61 3.150 -6.458 7.802 228 2HD ARG 61 3HD ARG 61 4.280 -6.933 6.525 229 HE ARG 61 HE ARG 61 5.423 -5.968 9.092 230 1HH1 ARG 61 2HH2 ARG 61 4.437 -8.897 7.385 231 2HH1 ARG 61 1HH2 ARG 61 5.441 -9.943 8.344 232 1HH2 ARG 61 1HH1 ARG 61 6.650 -7.187 10.302 233 2HH2 ARG 61 2HH1 ARG 61 6.738 -8.938 10.155 234 H VAL 62 H VAL 62 1.759 -2.052 4.050 235 HA VAL 62 HA VAL 62 0.094 -0.372 5.862 236 HB VAL 62 HB VAL 62 0.876 0.837 3.962 237 1HG1 VAL 62 1HG1 VAL 62 0.231 0.374 1.682 238 2HG1 VAL 62 2HG1 VAL 62 1.178 -0.987 2.292 239 3HG1 VAL 62 3HG1 VAL 62 -0.597 -1.116 2.155 240 1HG2 VAL 62 1HG2 VAL 62 -1.302 1.628 3.159 241 2HG2 VAL 62 2HG2 VAL 62 -2.092 0.160 3.744 242 3HG2 VAL 62 3HG2 VAL 62 -1.360 1.296 4.900 243 H GLY 63 H GLY 63 -1.752 -1.295 6.594 244 1HA GLY 63 1HA GLY 63 -2.869 -3.698 5.175 245 2HA GLY 63 2HA GLY 63 -2.715 -3.539 6.932 246 H GLY 64 H GLY 64 -4.959 -3.403 4.476 247 1HA GLY 64 1HA GLY 64 -6.907 -2.027 6.053 248 2HA GLY 64 2HA GLY 64 -6.267 -0.939 4.802 249 H MET 65 H MET 65 -8.572 -1.074 4.120 250 HA MET 65 HA MET 65 -9.262 -3.548 2.630 251 1HB MET 65 2HB MET 65 -11.513 -2.873 2.579 252 2HB MET 65 3HB MET 65 -10.909 -2.871 4.229 253 1HG MET 65 2HG MET 65 -10.491 -0.250 3.614 254 2HG MET 65 3HG MET 65 -11.762 -0.624 2.455 255 1HE MET 65 1HE MET 65 -12.170 -0.744 7.055 256 2HE MET 65 2HE MET 65 -11.514 -2.146 6.187 257 3HE MET 65 3HE MET 65 -10.647 -0.598 6.148 258 H VAL 66 H VAL 66 -9.286 -3.558 0.517 259 HA VAL 66 HA VAL 66 -7.934 -1.568 -1.015 260 HB VAL 66 HB VAL 66 -9.828 -3.821 -1.815 261 1HG1 VAL 66 1HG1 VAL 66 -8.093 -1.986 -3.492 262 2HG1 VAL 66 2HG1 VAL 66 -8.556 -3.621 -4.021 263 3HG1 VAL 66 3HG1 VAL 66 -9.801 -2.424 -3.716 264 1HG2 VAL 66 1HG2 VAL 66 -6.804 -3.610 -1.551 265 2HG2 VAL 66 2HG2 VAL 66 -7.873 -4.676 -0.648 266 3HG2 VAL 66 3HG2 VAL 66 -7.630 -4.956 -2.372 267 H THR 67 H THR 67 -8.639 0.302 -2.112 268 HA THR 67 HA THR 67 -11.162 1.362 -1.230 269 HB THR 67 HB THR 67 -8.781 2.472 -2.021 270 HG1 THR 67 1HG THR 67 -9.878 4.423 -1.884 271 1HG2 THR 67 1HG2 THR 67 -9.228 2.010 -4.418 272 2HG2 THR 67 2HG2 THR 67 -10.665 3.060 -4.344 273 3HG2 THR 67 3HG2 THR 67 -9.088 3.753 -4.043 274 H VAL 68 H VAL 68 -10.697 -0.743 -3.655 275 HA VAL 68 HA VAL 68 -11.756 -1.342 -5.527 276 HB VAL 68 HB VAL 68 -12.935 -2.200 -3.704 277 1HG1 VAL 68 1HG1 VAL 68 -13.648 -0.392 -2.432 278 2HG1 VAL 68 2HG1 VAL 68 -14.608 0.299 -3.768 279 3HG1 VAL 68 3HG1 VAL 68 -15.139 -1.197 -2.949 280 1HG2 VAL 68 1HG2 VAL 68 -14.859 -2.955 -4.842 281 2HG2 VAL 68 2HG2 VAL 68 -15.070 -1.411 -5.694 282 3HG2 VAL 68 3HG2 VAL 68 -13.715 -2.476 -6.127 283 H GLY 69 H GLY 69 -10.861 0.934 -5.915 284 1HA GLY 69 1HA GLY 69 -12.053 1.520 -8.433 285 2HA GLY 69 2HA GLY 69 -12.464 2.838 -7.319 286 H SER 70 H SER 70 -9.373 0.981 -7.334 287 HA SER 70 HA SER 70 -8.021 3.167 -8.821 288 1HB SER 70 2HB SER 70 -7.319 2.401 -5.974 289 2HB SER 70 3HB SER 70 -6.306 3.421 -7.012 290 HG SER 70 HG SER 70 -8.981 4.165 -6.716 291 H MET 71 H MET 71 -8.338 -0.139 -8.600 292 HA MET 71 HA MET 71 -5.536 -0.900 -8.697 293 1HB MET 71 2HB MET 71 -7.178 -2.439 -7.840 294 2HB MET 71 3HB MET 71 -8.144 -2.287 -9.309 295 1HG MET 71 2HG MET 71 -7.100 -4.422 -9.179 296 2HG MET 71 3HG MET 71 -6.588 -3.562 -10.613 297 1HE MET 71 1HE MET 71 -4.415 -2.989 -11.251 298 2HE MET 71 2HE MET 71 -3.962 -1.946 -9.878 299 3HE MET 71 3HE MET 71 -2.901 -3.258 -10.366 300 H VAL 72 H VAL 72 -4.477 0.189 -10.404 301 HA VAL 72 HA VAL 72 -5.556 -0.346 -13.148 302 HB VAL 72 HB VAL 72 -4.561 1.684 -13.953 303 1HG1 VAL 72 1HG1 VAL 72 -6.400 2.265 -11.590 304 2HG1 VAL 72 2HG1 VAL 72 -6.170 3.264 -13.035 305 3HG1 VAL 72 3HG1 VAL 72 -6.931 1.670 -13.178 306 1HG2 VAL 72 1HG2 VAL 72 -3.800 3.468 -12.409 307 2HG2 VAL 72 2HG2 VAL 72 -3.881 2.323 -11.055 308 3HG2 VAL 72 3HG2 VAL 72 -2.737 2.057 -12.405 309 H ARG 73 H ARG 73 -4.096 -1.117 -14.643 310 HA ARG 73 HA ARG 73 -1.431 -1.892 -13.633 311 1HB ARG 73 2HB ARG 73 -1.719 -4.116 -14.562 312 2HB ARG 73 3HB ARG 73 -2.898 -3.826 -13.278 313 1HG ARG 73 2HG ARG 73 -3.923 -3.251 -16.026 314 2HG ARG 73 3HG ARG 73 -3.416 -4.916 -15.747 315 1HD ARG 73 2HD ARG 73 -4.864 -5.047 -13.747 316 2HD ARG 73 3HD ARG 73 -5.422 -3.380 -14.048 317 HE ARG 73 HE ARG 73 -5.783 -4.879 -16.419 318 1HH1 ARG 73 2HH2 ARG 73 -7.102 -4.766 -13.143 319 2HH1 ARG 73 1HH2 ARG 73 -8.629 -5.466 -13.546 320 1HH2 ARG 73 1HH1 ARG 73 -7.800 -5.822 -17.012 321 2HH2 ARG 73 2HH1 ARG 73 -9.036 -6.077 -15.824 322 H ASP 74 H ASP 74 0.170 -2.135 -15.317 323 HA ASP 74 HA ASP 74 -0.386 -0.423 -17.596 324 1HB ASP 74 2HB ASP 74 1.968 -2.104 -16.651 325 2HB ASP 74 3HB ASP 74 1.936 -1.407 -18.275 326 HA PRO 75 HA PRO 75 -1.273 -3.800 -20.539 327 1HB PRO 75 2HB PRO 75 -0.264 -2.744 -22.864 328 2HB PRO 75 3HB PRO 75 -1.780 -2.142 -22.131 329 1HG PRO 75 2HG PRO 75 1.004 -0.975 -21.829 330 2HG PRO 75 3HG PRO 75 -0.501 -0.111 -22.253 331 1HD PRO 75 2HD PRO 75 0.447 -0.162 -19.712 332 2HD PRO 75 3HD PRO 75 -1.309 -0.252 -20.020 333 H ASN 76 H ASN 76 1.873 -2.339 -20.000 334 HA ASN 76 HA ASN 76 3.649 -4.291 -20.891 335 1HB ASN 76 2HB ASN 76 3.638 -2.864 -18.185 336 2HB ASN 76 3HB ASN 76 4.987 -3.747 -18.873 337 1HD2 ASN 76 1HD2 ASN 76 4.028 -0.545 -18.441 338 2HD2 ASN 76 2HD2 ASN 76 4.812 0.062 -19.873 339 H SER 77 H SER 77 1.274 -4.484 -18.239 340 HA SER 77 HA SER 77 0.414 -6.157 -17.103 341 1HB SER 77 2HB SER 77 1.806 -8.068 -19.026 342 2HB SER 77 3HB SER 77 0.436 -8.410 -17.974 343 HG SER 77 HG SER 77 0.459 -6.483 -20.080 344 H LEU 78 H LEU 78 3.092 -5.117 -16.444 345 HA LEU 78 HA LEU 78 3.719 -7.122 -14.327 346 1HB LEU 78 2HB LEU 78 6.013 -5.948 -14.270 347 2HB LEU 78 3HB LEU 78 5.729 -7.285 -15.363 348 HG LEU 78 HG LEU 78 5.185 -4.564 -16.511 349 1HD1 LEU 78 1HD1 LEU 78 8.008 -5.518 -15.928 350 2HD1 LEU 78 2HD1 LEU 78 7.549 -4.143 -16.961 351 3HD1 LEU 78 3HD1 LEU 78 7.205 -4.100 -15.221 352 1HD2 LEU 78 1HD2 LEU 78 6.788 -6.960 -17.527 353 2HD2 LEU 78 2HD2 LEU 78 5.034 -6.841 -17.686 354 3HD2 LEU 78 3HD2 LEU 78 6.077 -5.660 -18.501 355 H HIS 79 H HID 79 3.648 -3.604 -15.244 356 HA HIS 79 HA HID 79 4.008 -2.865 -12.460 357 1HB HIS 79 2HB HID 79 3.323 -1.264 -14.929 358 2HB HIS 79 3HB HID 79 3.550 -0.563 -13.331 359 HD1 HIS 79 1HD HID 79 6.145 -1.016 -12.271 360 HD2 HIS 79 2HD HID 79 5.479 -1.421 -16.409 361 HE1 HIS 79 1HE HID 79 8.425 -0.859 -13.395 362 H VAL 80 H VAL 80 2.466 -2.539 -11.010 363 HA VAL 80 HA VAL 80 -0.374 -2.266 -11.775 364 HB VAL 80 HB VAL 80 -0.934 -4.028 -10.095 365 1HG1 VAL 80 1HG1 VAL 80 -0.910 -4.453 -12.536 366 2HG1 VAL 80 2HG1 VAL 80 0.723 -5.136 -12.372 367 3HG1 VAL 80 3HG1 VAL 80 -0.658 -5.898 -11.558 368 1HG2 VAL 80 1HG2 VAL 80 2.044 -4.465 -9.993 369 2HG2 VAL 80 2HG2 VAL 80 0.784 -4.527 -8.721 370 3HG2 VAL 80 3HG2 VAL 80 0.953 -5.836 -9.896 371 H GLN 81 H GLN 81 -1.372 -0.720 -10.503 372 HA GLN 81 HA GLN 81 -0.154 -0.221 -7.843 373 1HB GLN 81 2HB GLN 81 -0.283 2.231 -8.250 374 2HB GLN 81 3HB GLN 81 0.994 1.404 -9.167 375 1HG GLN 81 2HG GLN 81 -0.116 1.586 -11.209 376 2HG GLN 81 3HG GLN 81 -1.687 1.823 -10.439 377 1HE2 GLN 81 1HE2 GLN 81 -2.415 3.898 -9.989 378 2HE2 GLN 81 2HE2 GLN 81 -1.442 5.317 -10.330 379 H PHE 82 H PHE 82 -1.536 0.664 -6.341 380 HA PHE 82 HA PHE 82 -4.425 0.687 -7.002 381 1HB PHE 82 2HB PHE 82 -4.875 -1.098 -5.405 382 2HB PHE 82 3HB PHE 82 -3.945 -1.683 -6.769 383 HD1 PHE 82 1HD PHE 82 -3.721 -0.749 -3.140 384 HD2 PHE 82 2HD PHE 82 -1.739 -2.647 -6.474 385 HE1 PHE 82 1HE PHE 82 -2.272 -1.997 -1.573 386 HE2 PHE 82 2HE PHE 82 -0.226 -3.813 -4.896 387 HZ PHE 82 HZ PHE 82 -0.591 -3.608 -2.442 388 H ALA 83 H ALA 83 -5.740 1.234 -5.065 389 HA ALA 83 HA ALA 83 -4.172 2.766 -3.059 390 1HB ALA 83 1HB ALA 83 -5.453 4.295 -4.591 391 2HB ALA 83 2HB ALA 83 -6.934 3.517 -4.012 392 3HB ALA 83 3HB ALA 83 -5.901 4.393 -2.880 393 H VAL 84 H VAL 84 -4.684 2.489 -1.011 394 HA VAL 84 HA VAL 84 -6.841 0.520 -0.320 395 HB VAL 84 HB VAL 84 -4.680 -0.642 -0.470 396 1HG1 VAL 84 1HG1 VAL 84 -2.871 -0.238 1.091 397 2HG1 VAL 84 2HG1 VAL 84 -3.165 1.232 0.151 398 3HG1 VAL 84 3HG1 VAL 84 -3.746 1.113 1.826 399 1HG2 VAL 84 1HG2 VAL 84 -4.730 -1.711 1.759 400 2HG2 VAL 84 2HG2 VAL 84 -5.792 -0.420 2.352 401 3HG2 VAL 84 3HG2 VAL 84 -6.339 -1.508 1.058 402 H HIS 85 H HID 85 -7.969 0.985 1.554 403 HA HIS 85 HA HID 85 -7.240 3.467 3.002 404 1HB HIS 85 2HB HID 85 -9.233 4.529 2.601 405 2HB HIS 85 3HB HID 85 -8.960 3.722 1.046 406 HD1 HIS 85 1HD HID 85 -11.768 4.351 3.175 407 HD2 HIS 85 2HD HID 85 -10.269 1.239 0.800 408 HE1 HIS 85 1HE HID 85 -13.755 2.911 2.521 409 H ASP 86 H ASP 86 -8.804 3.754 4.910 410 HA ASP 86 HA ASP 86 -9.149 1.096 6.259 411 1HB ASP 86 2HB ASP 86 -7.220 2.733 6.895 412 2HB ASP 86 3HB ASP 86 -8.528 3.753 7.515 413 H SER 87 H SER 87 -10.651 3.906 5.055 414 HA SER 87 HA SER 87 -12.514 5.074 5.385 415 1HB SER 87 2HB SER 87 -13.355 2.356 6.249 416 2HB SER 87 3HB SER 87 -14.314 3.665 6.940 417 HG SER 87 HG SER 87 -15.124 3.085 4.925 418 H LEU 88 H LEU 88 -10.263 4.836 7.573 419 HA LEU 88 HA LEU 88 -11.755 6.117 9.746 420 1HB LEU 88 2HB LEU 88 -9.108 4.760 9.569 421 2HB LEU 88 3HB LEU 88 -9.251 6.104 10.693 422 HG LEU 88 HG LEU 88 -11.259 5.064 11.729 423 1HD1 LEU 88 1HD1 LEU 88 -10.471 2.638 10.056 424 2HD1 LEU 88 2HD1 LEU 88 -11.651 2.644 11.377 425 3HD1 LEU 88 3HD1 LEU 88 -11.982 3.560 9.901 426 1HD2 LEU 88 1HD2 LEU 88 -9.021 4.873 12.725 427 2HD2 LEU 88 2HD2 LEU 88 -9.982 3.413 13.018 428 3HD2 LEU 88 3HD2 LEU 88 -8.711 3.402 11.782 429 H GLY 89 H GLY 89 -9.440 7.005 7.247 430 1HA GLY 89 1HA GLY 89 -9.498 9.841 8.171 431 2HA GLY 89 2HA GLY 89 -7.948 8.992 8.184 432 H GLY 90 H GLY 90 -8.094 7.486 5.771 433 1HA GLY 90 1HA GLY 90 -8.960 8.949 3.519 434 2HA GLY 90 2HA GLY 90 -7.264 9.362 3.882 435 H GLU 91 H GLU 91 -6.986 8.220 1.715 436 HA GLU 91 HA GLU 91 -6.500 5.331 2.140 437 1HB GLU 91 2HB GLU 91 -6.888 5.003 -0.255 438 2HB GLU 91 3HB GLU 91 -8.351 5.643 0.522 439 1HG GLU 91 2HG GLU 91 -8.170 7.741 -0.403 440 2HG GLU 91 3HG GLU 91 -6.478 7.520 -0.895 441 H ILE 92 H ILE 92 -4.590 4.560 1.123 442 HA ILE 92 HA ILE 92 -2.651 6.679 0.357 443 HB ILE 92 HB ILE 92 -2.446 4.906 2.561 444 1HG1 ILE 92 2HG1 ILE 92 -1.417 6.980 2.731 445 2HG1 ILE 92 3HG1 ILE 92 -0.134 5.780 2.789 446 1HG2 ILE 92 1HG2 ILE 92 -0.518 3.999 0.417 447 2HG2 ILE 92 2HG2 ILE 92 -0.495 3.550 2.123 448 3HG2 ILE 92 3HG2 ILE 92 -1.858 3.065 1.111 449 1HD1 ILE 92 1HD1 ILE 92 -0.772 7.680 0.517 450 2HD1 ILE 92 2HD1 ILE 92 0.645 7.617 1.554 451 3HD1 ILE 92 3HD1 ILE 92 0.371 6.308 0.383 452 H LEU 93 H LEU 93 -0.939 5.745 -1.155 453 HA LEU 93 HA LEU 93 -2.357 4.030 -3.132 454 1HB LEU 93 2HB LEU 93 -1.152 6.767 -3.380 455 2HB LEU 93 3HB LEU 93 -0.768 5.655 -4.692 456 HG LEU 93 HG LEU 93 -3.642 6.019 -3.805 457 1HD1 LEU 93 1HD1 LEU 93 -2.254 7.648 -5.973 458 2HD1 LEU 93 2HD1 LEU 93 -3.956 7.721 -5.494 459 3HD1 LEU 93 3HD1 LEU 93 -2.709 8.278 -4.367 460 1HD2 LEU 93 1HD2 LEU 93 -2.309 5.226 -6.456 461 2HD2 LEU 93 2HD2 LEU 93 -3.101 4.117 -5.329 462 3HD2 LEU 93 3HD2 LEU 93 -4.055 5.342 -6.179 463 H VAL 94 H VAL 94 -1.227 2.329 -3.743 464 HA VAL 94 HA VAL 94 1.621 2.065 -2.918 465 HB VAL 94 HB VAL 94 -0.596 0.005 -3.225 466 1HG1 VAL 94 1HG1 VAL 94 0.996 -1.466 -2.017 467 2HG1 VAL 94 2HG1 VAL 94 1.613 -0.978 -3.605 468 3HG1 VAL 94 3HG1 VAL 94 2.239 -0.197 -2.136 469 1HG2 VAL 94 1HG2 VAL 94 -1.069 1.427 -1.265 470 2HG2 VAL 94 2HG2 VAL 94 -0.509 -0.161 -0.738 471 3HG2 VAL 94 3HG2 VAL 94 0.603 1.221 -0.702 472 H THR 95 H THR 95 3.064 1.338 -4.488 473 HA THR 95 HA THR 95 2.005 0.692 -7.191 474 HB THR 95 HB THR 95 4.318 1.466 -7.915 475 HG1 THR 95 1HG THR 95 5.498 2.666 -6.439 476 1HG2 THR 95 1HG2 THR 95 2.599 3.576 -6.520 477 2HG2 THR 95 2HG2 THR 95 3.825 3.888 -7.765 478 3HG2 THR 95 3HG2 THR 95 2.364 2.979 -8.176 479 H TYR 96 H TYR 96 3.014 -1.089 -8.242 480 HA TYR 96 HA TYR 96 5.117 -2.597 -6.842 481 1HB TYR 96 2HB TYR 96 2.822 -3.397 -6.098 482 2HB TYR 96 3HB TYR 96 2.440 -3.660 -7.771 483 HD1 TYR 96 HD1 TYR 96 1.713 -5.766 -6.492 484 HD2 TYR 96 HD2 TYR 96 5.853 -4.772 -7.085 485 HE1 TYR 96 HE1 TYR 96 2.386 -8.055 -5.796 486 HE2 TYR 96 HE2 TYR 96 6.485 -7.083 -6.599 487 HH TYR 96 HH TYR 96 4.263 -8.998 -4.751 488 H ASP 97 H ASP 97 6.587 -3.288 -8.446 489 HA ASP 97 HA ASP 97 5.868 -2.775 -11.242 490 1HB ASP 97 2HB ASP 97 8.338 -2.650 -11.492 491 2HB ASP 97 3HB ASP 97 7.654 -1.443 -10.395 492 H ASP 98 H ASP 98 5.764 -5.442 -9.353 493 HA ASP 98 HA ASP 98 6.215 -7.195 -11.716 494 1HB ASP 98 2HB ASP 98 6.954 -7.704 -8.808 495 2HB ASP 98 3HB ASP 98 6.451 -9.039 -9.839 496 H LEU 99 H LEU 99 4.830 -9.148 -11.510 497 HA LEU 99 HA LEU 99 2.127 -8.252 -11.416 498 1HB LEU 99 2HB LEU 99 3.278 -11.074 -11.624 499 2HB LEU 99 3HB LEU 99 1.563 -10.682 -11.686 500 HG LEU 99 HG LEU 99 2.212 -9.032 -13.616 501 1HD1 LEU 99 1HD1 LEU 99 4.514 -11.045 -13.730 502 2HD1 LEU 99 2HD1 LEU 99 4.054 -9.939 -15.037 503 3HD1 LEU 99 3HD1 LEU 99 4.679 -9.287 -13.524 504 1HD2 LEU 99 1HD2 LEU 99 1.831 -10.855 -15.241 505 2HD2 LEU 99 2HD2 LEU 99 2.148 -12.055 -13.969 506 3HD2 LEU 99 3HD2 LEU 99 0.741 -10.974 -13.852 507 H LEU 100 H LEU 100 0.474 -8.670 -10.062 508 HA LEU 100 HA LEU 100 0.977 -9.160 -7.247 509 1HB LEU 100 2HB LEU 100 -1.444 -8.741 -9.053 510 2HB LEU 100 3HB LEU 100 -1.689 -9.078 -7.354 511 HG LEU 100 HG LEU 100 0.233 -6.874 -8.116 512 1HD1 LEU 100 1HD1 LEU 100 -1.686 -5.260 -8.123 513 2HD1 LEU 100 2HD1 LEU 100 -1.659 -6.363 -9.516 514 3HD1 LEU 100 3HD1 LEU 100 -2.782 -6.652 -8.197 515 1HD2 LEU 100 1HD2 LEU 100 -0.749 -5.871 -6.016 516 2HD2 LEU 100 2HD2 LEU 100 -1.602 -7.406 -5.754 517 3HD2 LEU 100 3HD2 LEU 100 0.162 -7.372 -5.813 518 HA PRO 101 HA PRO 101 0.069 -13.567 -7.264 519 1HB PRO 101 2HB PRO 101 -1.211 -13.969 -4.879 520 2HB PRO 101 3HB PRO 101 0.491 -13.479 -4.988 521 1HG PRO 101 2HG PRO 101 -1.873 -11.617 -4.529 522 2HG PRO 101 3HG PRO 101 -0.373 -11.732 -3.587 523 1HD PRO 101 2HD PRO 101 -0.691 -9.919 -5.575 524 2HD PRO 101 3HD PRO 101 0.892 -10.710 -5.320 525 H ASP 102 H ASP 102 -2.944 -13.083 -5.513 526 HA ASP 102 HA ASP 102 -4.521 -14.091 -7.613 527 1HB ASP 102 2HB ASP 102 -5.415 -12.600 -5.104 528 2HB ASP 102 3HB ASP 102 -6.325 -13.816 -6.018 529 H LEU 103 H LEU 103 -3.347 -11.892 -8.834 530 HA LEU 103 HA LEU 103 -3.655 -10.009 -9.979 531 1HB LEU 103 2HB LEU 103 -5.449 -11.387 -10.906 532 2HB LEU 103 3HB LEU 103 -6.599 -10.732 -9.736 533 HG LEU 103 HG LEU 103 -6.508 -8.533 -10.754 534 1HD1 LEU 103 1HD1 LEU 103 -5.246 -8.172 -12.889 535 2HD1 LEU 103 2HD1 LEU 103 -4.157 -8.397 -11.521 536 3HD1 LEU 103 3HD1 LEU 103 -4.434 -9.734 -12.658 537 1HD2 LEU 103 1HD2 LEU 103 -6.808 -10.717 -12.846 538 2HD2 LEU 103 2HD2 LEU 103 -8.044 -10.222 -11.666 539 3HD2 LEU 103 3HD2 LEU 103 -7.505 -9.083 -12.911 540 H PHE 104 H PHE 104 -4.864 -9.985 -6.804 541 HA PHE 104 HA PHE 104 -5.388 -8.416 -5.280 542 1HB PHE 104 2HB PHE 104 -3.668 -6.908 -6.178 543 2HB PHE 104 3HB PHE 104 -4.816 -6.282 -7.356 544 HD1 PHE 104 1HD PHE 104 -3.768 -6.202 -3.838 545 HD2 PHE 104 2HD PHE 104 -6.576 -4.764 -6.782 546 HE1 PHE 104 1HE PHE 104 -4.144 -4.150 -2.504 547 HE2 PHE 104 2HE PHE 104 -6.850 -2.680 -5.498 548 HZ PHE 104 HZ PHE 104 -5.670 -2.388 -3.324 549 H ARG 105 H ARG 105 -7.438 -9.419 -5.382 550 HA ARG 105 HA ARG 105 -9.442 -8.432 -7.293 551 1HB ARG 105 2HB ARG 105 -9.712 -10.181 -4.785 552 2HB ARG 105 3HB ARG 105 -11.042 -9.635 -5.795 553 1HG ARG 105 2HG ARG 105 -10.784 -11.529 -6.921 554 2HG ARG 105 3HG ARG 105 -9.464 -10.687 -7.729 555 1HD ARG 105 2HD ARG 105 -8.388 -12.659 -7.119 556 2HD ARG 105 3HD ARG 105 -7.967 -11.616 -5.782 557 HE ARG 105 HE ARG 105 -9.056 -13.044 -4.347 558 1HH1 ARG 105 2HH2 ARG 105 -10.341 -13.533 -7.570 559 2HH1 ARG 105 1HH2 ARG 105 -11.184 -15.011 -7.197 560 1HH2 ARG 105 1HH1 ARG 105 -10.120 -15.005 -3.783 561 2HH2 ARG 105 2HH1 ARG 105 -11.035 -15.873 -4.968 562 H GLU 106 H GLU 106 -10.738 -6.728 -6.999 563 HA GLU 106 HA GLU 106 -10.071 -4.905 -4.915 564 1HB GLU 106 2HB GLU 106 -12.204 -4.753 -7.094 565 2HB GLU 106 3HB GLU 106 -11.545 -3.425 -6.139 566 1HG GLU 106 2HG GLU 106 -10.288 -3.175 -8.037 567 2HG GLU 106 3HG GLU 106 -9.207 -4.231 -7.123 568 H GLY 107 H GLY 107 -11.432 -3.996 -3.324 569 1HA GLY 107 1HA GLY 107 -13.116 -3.917 -1.769 570 2HA GLY 107 2HA GLY 107 -14.133 -4.890 -2.841 571 H GLN 108 H GLN 108 -10.972 -5.528 -1.250 572 HA GLN 108 HA GLN 108 -12.187 -7.380 0.657 573 1HB GLN 108 2HB GLN 108 -10.711 -9.183 0.239 574 2HB GLN 108 3HB GLN 108 -11.332 -8.747 -1.359 575 1HG GLN 108 2HG GLN 108 -9.236 -7.375 -1.723 576 2HG GLN 108 3HG GLN 108 -8.642 -7.955 -0.161 577 1HE2 GLN 108 1HE2 GLN 108 -8.271 -8.508 -3.355 578 2HE2 GLN 108 2HE2 GLN 108 -7.695 -10.181 -3.210 579 H GLY 109 H GLY 109 -10.143 -7.990 2.194 580 1HA GLY 109 1HA GLY 109 -8.580 -5.485 2.654 581 2HA GLY 109 2HA GLY 109 -9.054 -6.592 3.921 582 H ILE 110 H ILE 110 -6.405 -5.552 2.637 583 HA ILE 110 HA ILE 110 -5.041 -8.175 2.526 584 HB ILE 110 HB ILE 110 -3.796 -7.708 0.591 585 1HG1 ILE 110 2HG1 ILE 110 -5.090 -5.450 -0.646 586 2HG1 ILE 110 3HG1 ILE 110 -4.529 -4.930 0.937 587 1HG2 ILE 110 1HG2 ILE 110 -5.391 -7.896 -1.172 588 2HG2 ILE 110 2HG2 ILE 110 -6.105 -8.694 0.239 589 3HG2 ILE 110 3HG2 ILE 110 -6.637 -7.068 -0.226 590 1HD1 ILE 110 1HD1 ILE 110 -2.279 -5.899 0.411 591 2HD1 ILE 110 2HD1 ILE 110 -2.875 -6.346 -1.206 592 3HD1 ILE 110 3HD1 ILE 110 -2.779 -4.629 -0.729 593 H VAL 111 H VAL 111 -2.723 -7.949 2.913 594 HA VAL 111 HA VAL 111 -1.951 -5.357 4.189 595 HB VAL 111 HB VAL 111 -0.433 -6.654 5.651 596 1HG1 VAL 111 1HG1 VAL 111 -3.409 -7.197 5.965 597 2HG1 VAL 111 2HG1 VAL 111 -2.202 -7.327 7.263 598 3HG1 VAL 111 3HG1 VAL 111 -2.537 -5.758 6.517 599 1HG2 VAL 111 1HG2 VAL 111 -0.914 -9.034 6.115 600 2HG2 VAL 111 2HG2 VAL 111 -2.106 -9.069 4.815 601 3HG2 VAL 111 3HG2 VAL 111 -0.385 -8.803 4.448 602 H ALA 112 H ALA 112 -0.430 -4.347 3.113 603 HA ALA 112 HA ALA 112 1.110 -5.850 1.040 604 1HB ALA 112 1HB ALA 112 0.224 -2.947 1.057 605 2HB ALA 112 2HB ALA 112 1.051 -3.813 -0.250 606 3HB ALA 112 3HB ALA 112 -0.603 -4.253 0.197 607 H GLN 113 H GLN 113 3.162 -6.107 1.610 608 HA GLN 113 HA GLN 113 4.550 -3.974 3.188 609 1HB GLN 113 2HB GLN 113 4.225 -6.045 4.418 610 2HB GLN 113 3HB GLN 113 4.906 -6.995 3.129 611 1HG GLN 113 2HG GLN 113 6.629 -4.786 4.242 612 2HG GLN 113 3HG GLN 113 6.303 -6.168 5.303 613 1HE2 GLN 113 1HE2 GLN 113 6.621 -8.401 4.451 614 2HE2 GLN 113 2HE2 GLN 113 7.959 -8.603 3.338 615 H GLY 114 H GLY 114 6.455 -3.125 2.417 616 1HA GLY 114 1HA GLY 114 8.161 -4.686 0.775 617 2HA GLY 114 2HA GLY 114 7.381 -3.511 -0.270 618 H VAL 115 H VAL 115 8.110 -1.340 -0.175 619 HA VAL 115 HA VAL 115 9.338 -0.353 2.257 620 HB VAL 115 HB VAL 115 11.180 -1.636 1.124 621 1HG1 VAL 115 1HG1 VAL 115 11.015 0.507 -1.041 622 2HG1 VAL 115 2HG1 VAL 115 12.216 -0.786 -0.908 623 3HG1 VAL 115 3HG1 VAL 115 10.524 -1.187 -1.253 624 1HG2 VAL 115 1HG2 VAL 115 11.678 1.327 1.234 625 2HG2 VAL 115 2HG2 VAL 115 11.689 0.227 2.634 626 3HG2 VAL 115 3HG2 VAL 115 12.893 0.048 1.347 627 H LEU 116 H LEU 116 9.363 1.951 2.242 628 HA LEU 116 HA LEU 116 7.438 3.120 0.371 629 1HB LEU 116 2HB LEU 116 9.311 4.437 2.319 630 2HB LEU 116 3HB LEU 116 8.230 5.329 1.277 631 HG LEU 116 HG LEU 116 6.424 4.937 2.483 632 1HD1 LEU 116 1HD1 LEU 116 7.257 2.135 3.341 633 2HD1 LEU 116 2HD1 LEU 116 5.691 2.933 3.584 634 3HD1 LEU 116 3HD1 LEU 116 6.182 2.479 1.971 635 1HD2 LEU 116 1HD2 LEU 116 8.089 5.676 4.115 636 2HD2 LEU 116 2HD2 LEU 116 6.782 4.711 4.844 637 3HD2 LEU 116 3HD2 LEU 116 8.373 3.971 4.563 638 H GLY 117 H GLY 117 7.746 4.694 -1.339 639 1HA GLY 117 1HA GLY 117 10.202 3.923 -2.874 640 2HA GLY 117 2HA GLY 117 8.625 4.380 -3.524 641 H GLU 118 H GLU 118 8.063 6.546 -3.631 642 HA GLU 118 HA GLU 118 10.273 8.477 -3.764 643 1HB GLU 118 2HB GLU 118 8.500 8.449 -5.457 644 2HB GLU 118 3HB GLU 118 7.249 8.659 -4.235 645 1HG GLU 118 2HG GLU 118 8.167 10.923 -3.717 646 2HG GLU 118 3HG GLU 118 9.400 10.680 -4.970 647 H ASP 119 H ASP 119 7.105 8.580 -2.196 648 HA ASP 119 HA ASP 119 8.113 8.404 0.434 649 1HB ASP 119 2HB ASP 119 8.684 10.812 0.086 650 2HB ASP 119 3HB ASP 119 7.002 11.186 -0.273 651 H GLY 120 H GLY 120 5.398 10.225 -0.954 652 1HA GLY 120 1HA GLY 120 3.343 8.923 0.497 653 2HA GLY 120 2HA GLY 120 3.129 9.929 -0.943 654 H LYS 121 H LYS 121 4.951 7.957 -2.473 655 HA LYS 121 HA LYS 121 2.874 5.889 -3.060 656 1HB LYS 121 2HB LYS 121 5.096 7.139 -4.671 657 2HB LYS 121 3HB LYS 121 4.567 5.489 -5.020 658 1HG LYS 121 2HG LYS 121 3.407 7.117 -6.409 659 2HG LYS 121 3HG LYS 121 2.308 6.148 -5.397 660 1HD LYS 121 2HD LYS 121 1.920 8.019 -3.889 661 2HD LYS 121 3HD LYS 121 3.292 8.917 -4.561 662 1HE LYS 121 2HE LYS 121 1.145 9.855 -5.304 663 2HE LYS 121 3HE LYS 121 2.144 9.305 -6.655 664 1HZ LYS 121 1HZ LYS 121 -0.159 8.655 -6.882 665 2HZ LYS 121 2HZ LYS 121 0.802 7.327 -6.773 666 3HZ LYS 121 3HZ LYS 121 -0.103 7.800 -5.479 667 H LEU 122 H LEU 122 3.134 3.969 -2.161 668 HA LEU 122 HA LEU 122 5.769 3.293 -0.979 669 1HB LEU 122 2HB LEU 122 3.149 1.849 -0.550 670 2HB LEU 122 3HB LEU 122 4.642 1.697 0.354 671 HG LEU 122 HG LEU 122 3.601 3.021 1.847 672 1HD1 LEU 122 1HD1 LEU 122 4.081 5.284 1.812 673 2HD1 LEU 122 2HD1 LEU 122 5.302 4.657 0.686 674 3HD1 LEU 122 3HD1 LEU 122 3.837 5.448 0.083 675 1HD2 LEU 122 1HD2 LEU 122 1.495 2.754 0.839 676 2HD2 LEU 122 2HD2 LEU 122 1.692 4.433 1.397 677 3HD2 LEU 122 3HD2 LEU 122 1.836 4.054 -0.338 678 H ALA 123 H ALA 123 6.986 1.556 -1.703 679 HA ALA 123 HA ALA 123 5.973 0.227 -4.185 680 1HB ALA 123 1HB ALA 123 8.188 1.237 -4.344 681 2HB ALA 123 2HB ALA 123 8.756 0.295 -2.950 682 3HB ALA 123 3HB ALA 123 8.286 -0.531 -4.448 683 H ALA 124 H ALA 124 4.543 -1.348 -3.395 684 HA ALA 124 HA ALA 124 5.488 -3.051 -1.107 685 1HB ALA 124 1HB ALA 124 3.305 -1.938 -0.785 686 2HB ALA 124 2HB ALA 124 2.692 -2.909 -2.162 687 3HB ALA 124 3HB ALA 124 3.297 -3.711 -0.699 688 H THR 125 H THR 125 5.400 -5.316 -1.311 689 HA THR 125 HA THR 125 4.818 -6.422 -3.981 690 HB THR 125 HB THR 125 7.105 -6.029 -4.299 691 HG1 THR 125 1HG THR 125 6.379 -8.252 -4.667 692 1HG2 THR 125 1HG2 THR 125 7.675 -7.191 -1.539 693 2HG2 THR 125 2HG2 THR 125 8.884 -6.731 -2.747 694 3HG2 THR 125 3HG2 THR 125 7.853 -5.487 -2.027 695 H GLU 126 H GLU 126 5.588 -7.131 -0.537 696 HA GLU 126 HA GLU 126 4.423 -9.829 -0.828 697 1HB GLU 126 2HB GLU 126 5.565 -8.287 1.519 698 2HB GLU 126 3HB GLU 126 4.865 -9.912 1.624 699 1HG GLU 126 2HG GLU 126 6.558 -10.713 -0.035 700 2HG GLU 126 3HG GLU 126 7.285 -9.096 -0.050 701 H VAL 127 H VAL 127 2.451 -9.115 -1.652 702 HA VAL 127 HA VAL 127 0.544 -7.698 0.125 703 HB VAL 127 HB VAL 127 -0.943 -7.929 -1.886 704 1HG1 VAL 127 1HG1 VAL 127 0.098 -5.828 -1.329 705 2HG1 VAL 127 2HG1 VAL 127 1.624 -6.306 -2.106 706 3HG1 VAL 127 3HG1 VAL 127 0.162 -6.052 -3.084 707 1HG2 VAL 127 1HG2 VAL 127 0.673 -9.724 -3.001 708 2HG2 VAL 127 2HG2 VAL 127 -0.133 -8.483 -3.963 709 3HG2 VAL 127 3HG2 VAL 127 1.574 -8.296 -3.524 710 H LEU 128 H LEU 128 -0.018 -9.109 1.756 711 HA LEU 128 HA LEU 128 -0.809 -11.884 0.975 712 1HB LEU 128 2HB LEU 128 -0.668 -10.898 3.817 713 2HB LEU 128 3HB LEU 128 -0.731 -12.523 3.181 714 HG LEU 128 HG LEU 128 1.423 -12.379 3.875 715 1HD1 LEU 128 1HD1 LEU 128 2.922 -12.412 2.021 716 2HD1 LEU 128 2HD1 LEU 128 1.374 -13.095 1.484 717 3HD1 LEU 128 3HD1 LEU 128 1.844 -11.442 1.016 718 1HD2 LEU 128 1HD2 LEU 128 1.552 -10.072 4.525 719 2HD2 LEU 128 2HD2 LEU 128 2.977 -10.496 3.569 720 3HD2 LEU 128 3HD2 LEU 128 1.684 -9.538 2.838 721 H ALA 129 H ALA 129 -2.906 -12.292 0.596 722 HA ALA 129 HA ALA 129 -4.937 -10.258 1.281 723 1HB ALA 129 1HB ALA 129 -6.271 -11.423 -0.422 724 2HB ALA 129 2HB ALA 129 -4.683 -10.957 -1.061 725 3HB ALA 129 3HB ALA 129 -4.998 -12.646 -0.606 726 H LYS 130 H LYS 130 -4.518 -11.206 3.638 727 HA LYS 130 HA LYS 130 -5.429 -13.774 4.205 728 1HB LYS 130 2HB LYS 130 -5.382 -13.356 6.435 729 2HB LYS 130 3HB LYS 130 -4.105 -12.349 5.774 730 1HG LYS 130 2HG LYS 130 -6.882 -11.294 6.553 731 2HG LYS 130 3HG LYS 130 -5.548 -11.494 7.678 732 1HD LYS 130 2HD LYS 130 -4.145 -9.956 6.188 733 2HD LYS 130 3HD LYS 130 -5.611 -9.664 5.243 734 1HE LYS 130 2HE LYS 130 -5.417 -7.849 6.820 735 2HE LYS 130 3HE LYS 130 -6.768 -8.856 7.336 736 1HZ LYS 130 1HZ LYS 130 -5.339 -8.200 9.158 737 2HZ LYS 130 2HZ LYS 130 -5.330 -9.831 8.997 738 3HZ LYS 130 3HZ LYS 130 -4.043 -8.947 8.479 739 H HIS 131 H HID 131 -7.450 -11.042 3.467 740 HA HIS 131 HA HID 131 -9.823 -11.943 4.789 741 1HB HIS 131 2HB HID 131 -9.280 -9.640 3.936 742 2HB HIS 131 3HB HID 131 -9.616 -10.225 2.297 743 HD1 HIS 131 1HD HID 131 -12.335 -11.811 2.987 744 HD2 HIS 131 2HD HID 131 -11.223 -8.007 4.403 745 HE1 HIS 131 1HE HID 131 -14.504 -10.573 3.572 746 H ASP 132 H ASP 132 -8.212 -13.053 1.829 747 HA ASP 132 HA ASP 132 -10.593 -14.279 0.680 748 1HB ASP 132 2HB ASP 132 -8.503 -13.624 -0.568 749 2HB ASP 132 3HB ASP 132 -7.667 -14.980 0.206 Start of MODEL 3 1 H SER 32 H SER 32 7.078 -5.877 14.158 2 HA SER 32 HA SER 32 9.882 -5.907 15.065 3 1HB SER 32 2HB SER 32 10.658 -6.131 12.667 4 2HB SER 32 3HB SER 32 9.965 -7.616 13.340 5 HG SER 32 HG SER 32 8.442 -5.738 11.845 6 H ASN 33 H ASN 33 9.854 -3.724 15.639 7 HA ASN 33 HA ASN 33 8.363 -1.674 14.532 8 1HB ASN 33 2HB ASN 33 9.781 -1.582 16.593 9 2HB ASN 33 3HB ASN 33 11.220 -1.430 15.571 10 1HD2 ASN 33 1HD2 ASN 33 11.049 0.553 17.297 11 2HD2 ASN 33 2HD2 ASN 33 10.373 2.002 16.575 12 H LEU 34 H LEU 34 11.555 -2.821 13.471 13 HA LEU 34 HA LEU 34 12.092 -0.990 11.439 14 1HB LEU 34 2HB LEU 34 13.294 -3.260 12.492 15 2HB LEU 34 3HB LEU 34 12.917 -3.792 10.858 16 HG LEU 34 HG LEU 34 14.500 -1.295 11.635 17 1HD1 LEU 34 1HD1 LEU 34 16.459 -2.561 10.847 18 2HD1 LEU 34 2HD1 LEU 34 15.662 -3.404 12.184 19 3HD1 LEU 34 3HD1 LEU 34 15.433 -3.973 10.517 20 1HD2 LEU 34 1HD2 LEU 34 13.971 -2.540 8.897 21 2HD2 LEU 34 2HD2 LEU 34 13.485 -0.918 9.448 22 3HD2 LEU 34 3HD2 LEU 34 15.193 -1.293 9.220 23 H ASN 35 H ASN 35 9.646 -3.496 11.414 24 HA ASN 35 HA ASN 35 8.782 -2.768 8.717 25 1HB ASN 35 2HB ASN 35 9.727 -5.602 9.385 26 2HB ASN 35 3HB ASN 35 8.620 -5.215 8.064 27 1HD2 ASN 35 1HD2 ASN 35 11.982 -5.059 9.119 28 2HD2 ASN 35 2HD2 ASN 35 12.601 -4.554 7.557 29 H LEU 36 H LEU 36 6.922 -2.006 9.967 30 HA LEU 36 HA LEU 36 5.336 -4.181 11.279 31 1HB LEU 36 2HB LEU 36 4.605 -2.760 12.881 32 2HB LEU 36 3HB LEU 36 6.320 -2.391 12.767 33 HG LEU 36 HG LEU 36 4.005 -0.734 11.631 34 1HD1 LEU 36 1HD1 LEU 36 4.632 0.857 13.408 35 2HD1 LEU 36 2HD1 LEU 36 4.158 -0.709 14.083 36 3HD1 LEU 36 3HD1 LEU 36 5.876 -0.268 13.987 37 1HD2 LEU 36 1HD2 LEU 36 5.918 -0.320 10.196 38 2HD2 LEU 36 2HD2 LEU 36 5.775 1.034 11.313 39 3HD2 LEU 36 3HD2 LEU 36 7.007 -0.206 11.601 40 H PHE 37 H PHE 37 3.008 -3.942 11.257 41 HA PHE 37 HA PHE 37 1.961 -3.089 8.631 42 1HB PHE 37 2HB PHE 37 0.690 -4.550 10.967 43 2HB PHE 37 3HB PHE 37 -0.130 -4.122 9.479 44 HD1 PHE 37 1HD PHE 37 1.794 -6.700 11.077 45 HD2 PHE 37 2HD PHE 37 0.830 -4.986 7.240 46 HE1 PHE 37 1HE PHE 37 2.491 -8.800 9.958 47 HE2 PHE 37 2HE PHE 37 1.616 -7.056 6.121 48 HZ PHE 37 HZ PHE 37 2.393 -8.987 7.477 49 H TYR 38 H TYR 38 1.249 -1.066 8.356 50 HA TYR 38 HA TYR 38 -0.121 0.262 10.659 51 1HB TYR 38 2HB TYR 38 2.345 0.985 9.452 52 2HB TYR 38 3HB TYR 38 1.172 2.122 8.812 53 HD1 TYR 38 HD1 TYR 38 1.968 0.456 12.122 54 HD2 TYR 38 HD2 TYR 38 1.051 4.134 10.063 55 HE1 TYR 38 HE1 TYR 38 2.010 1.679 14.276 56 HE2 TYR 38 HE2 TYR 38 1.277 5.366 12.197 57 HH TYR 38 HH TYR 38 0.945 5.045 14.504 58 H THR 39 H THR 39 -1.602 1.921 10.159 59 HA THR 39 HA THR 39 -3.529 0.877 8.286 60 HB THR 39 HB THR 39 -3.485 2.629 10.685 61 HG1 THR 39 1HG THR 39 -5.524 0.870 9.914 62 1HG2 THR 39 1HG2 THR 39 -5.911 3.211 10.360 63 2HG2 THR 39 2HG2 THR 39 -4.753 4.209 9.484 64 3HG2 THR 39 3HG2 THR 39 -5.664 2.952 8.628 65 HA PRO 40 HA PRO 40 -5.123 3.315 5.225 66 1HB PRO 40 2HB PRO 40 -3.914 3.450 3.199 67 2HB PRO 40 3HB PRO 40 -2.393 3.106 4.099 68 1HG PRO 40 2HG PRO 40 -4.950 1.440 4.033 69 2HG PRO 40 3HG PRO 40 -3.331 0.835 3.673 70 1HD PRO 40 2HD PRO 40 -4.638 0.786 6.186 71 2HD PRO 40 3HD PRO 40 -2.859 0.701 6.010 72 H SER 41 H SER 41 -5.725 4.676 6.857 73 HA SER 41 HA SER 41 -5.464 7.335 5.971 74 1HB SER 41 2HB SER 41 -6.689 6.256 8.549 75 2HB SER 41 3HB SER 41 -7.022 7.817 7.794 76 HG SER 41 HG SER 41 -7.636 6.376 5.880 77 H GLU 42 H GLU 42 -3.677 5.615 8.475 78 HA GLU 42 HA GLU 42 -3.158 7.907 10.173 79 1HB GLU 42 2HB GLU 42 -3.057 5.592 10.964 80 2HB GLU 42 3HB GLU 42 -1.722 5.238 9.863 81 1HG GLU 42 2HG GLU 42 -0.984 5.455 12.120 82 2HG GLU 42 3HG GLU 42 -0.250 6.720 11.102 83 H ILE 43 H ILE 43 -1.262 6.112 7.763 84 HA ILE 43 HA ILE 43 1.005 7.744 7.822 85 HB ILE 43 HB ILE 43 1.609 6.653 5.668 86 1HG1 ILE 43 3HG1 ILE 43 -1.022 5.144 6.037 87 2HG1 ILE 43 2HG1 ILE 43 -0.803 6.462 4.866 88 1HG2 ILE 43 1HG2 ILE 43 0.556 4.760 7.812 89 2HG2 ILE 43 2HG2 ILE 43 2.055 5.712 7.971 90 3HG2 ILE 43 3HG2 ILE 43 1.920 4.481 6.714 91 1HD1 ILE 43 1HD1 ILE 43 -0.573 4.310 3.810 92 2HD1 ILE 43 2HD1 ILE 43 0.989 5.175 3.782 93 3HD1 ILE 43 3HD1 ILE 43 0.717 3.831 4.924 94 H VAL 44 H VAL 44 -1.996 8.529 6.362 95 HA VAL 44 HA VAL 44 -1.045 10.482 4.431 96 HB VAL 44 HB VAL 44 -3.725 9.978 5.768 97 1HG1 VAL 44 1HG1 VAL 44 -3.714 12.336 5.120 98 2HG1 VAL 44 2HG1 VAL 44 -3.050 11.919 3.523 99 3HG1 VAL 44 3HG1 VAL 44 -4.693 11.420 3.976 100 1HG2 VAL 44 1HG2 VAL 44 -2.843 9.463 2.932 101 2HG2 VAL 44 2HG2 VAL 44 -2.961 8.213 4.209 102 3HG2 VAL 44 3HG2 VAL 44 -4.407 9.060 3.657 103 H ASN 45 H ASN 45 -1.854 10.470 7.923 104 HA ASN 45 HA ASN 45 -2.163 13.447 7.847 105 1HB ASN 45 2HB ASN 45 -3.141 11.294 9.715 106 2HB ASN 45 3HB ASN 45 -3.301 13.023 10.038 107 1HD2 ASN 45 1HD2 ASN 45 -4.608 10.355 8.078 108 2HD2 ASN 45 2HD2 ASN 45 -5.961 11.297 7.474 109 H GLY 46 H GLY 46 0.145 13.862 7.869 110 1HA GLY 46 1HA GLY 46 1.898 14.789 9.119 111 2HA GLY 46 2HA GLY 46 1.001 14.413 10.591 112 H LYS 47 H LYS 47 2.424 12.502 7.926 113 HA LYS 47 HA LYS 47 4.067 10.873 9.741 114 1HB LYS 47 2HB LYS 47 1.696 9.775 8.214 115 2HB LYS 47 3HB LYS 47 2.922 8.736 8.993 116 1HG LYS 47 2HG LYS 47 1.077 10.636 10.470 117 2HG LYS 47 3HG LYS 47 0.747 8.950 10.196 118 1HD LYS 47 2HD LYS 47 2.325 8.142 11.592 119 2HD LYS 47 3HD LYS 47 3.357 9.588 11.527 120 1HE LYS 47 2HE LYS 47 2.088 10.792 13.038 121 2HE LYS 47 3HE LYS 47 0.571 9.995 12.594 122 1HZ LYS 47 1HZ LYS 47 1.406 9.428 14.798 123 2HZ LYS 47 2HZ LYS 47 0.952 8.217 13.804 124 3HZ LYS 47 3HZ LYS 47 2.585 8.512 14.084 125 H THR 48 H THR 48 3.444 8.961 7.088 126 HA THR 48 HA THR 48 5.871 9.475 5.760 127 HB THR 48 HB THR 48 3.335 8.164 4.675 128 HG1 THR 48 1HG THR 48 4.328 6.272 5.616 129 1HG2 THR 48 1HG2 THR 48 5.187 8.538 3.044 130 2HG2 THR 48 2HG2 THR 48 6.286 7.646 4.109 131 3HG2 THR 48 3HG2 THR 48 4.885 6.835 3.353 132 H ASP 49 H ASP 49 2.501 10.235 4.720 133 HA ASP 49 HA ASP 49 2.833 11.549 2.348 134 1HB ASP 49 2HB ASP 49 0.654 11.374 3.184 135 2HB ASP 49 3HB ASP 49 1.102 12.000 4.781 136 H THR 50 H THR 50 3.055 13.043 5.512 137 HA THR 50 HA THR 50 3.949 15.556 4.503 138 HB THR 50 HB THR 50 3.868 14.952 7.423 139 HG1 THR 50 1HG THR 50 1.631 14.523 5.727 140 1HG2 THR 50 1HG2 THR 50 3.875 17.274 6.500 141 2HG2 THR 50 2HG2 THR 50 2.341 16.926 5.671 142 3HG2 THR 50 3HG2 THR 50 2.408 16.934 7.446 143 H GLY 51 H GLY 51 5.647 12.736 5.384 144 1HA GLY 51 1HA GLY 51 7.724 12.190 5.994 145 2HA GLY 51 2HA GLY 51 8.230 13.638 5.126 146 H VAL 52 H VAL 52 6.233 13.511 8.094 147 HA VAL 52 HA VAL 52 8.205 15.353 9.375 148 HB VAL 52 HB VAL 52 6.484 15.744 11.071 149 1HG1 VAL 52 1HG1 VAL 52 4.987 17.053 9.632 150 2HG1 VAL 52 2HG1 VAL 52 6.683 17.221 9.146 151 3HG1 VAL 52 3HG1 VAL 52 5.593 16.194 8.205 152 1HG2 VAL 52 1HG2 VAL 52 5.265 13.603 10.981 153 2HG2 VAL 52 2HG2 VAL 52 4.186 14.980 10.717 154 3HG2 VAL 52 3HG2 VAL 52 4.703 13.986 9.342 155 H LYS 53 H LYS 53 7.287 12.041 9.615 156 HA LYS 53 HA LYS 53 9.129 11.683 11.868 157 1HB LYS 53 2HB LYS 53 6.300 10.669 11.748 158 2HB LYS 53 3HB LYS 53 7.544 9.764 12.629 159 1HG LYS 53 2HG LYS 53 6.882 12.713 13.091 160 2HG LYS 53 3HG LYS 53 6.161 11.373 13.970 161 1HD LYS 53 2HD LYS 53 7.839 11.545 15.460 162 2HD LYS 53 3HD LYS 53 8.815 10.724 14.259 163 1HE LYS 53 2HE LYS 53 10.063 12.574 15.024 164 2HE LYS 53 3HE LYS 53 9.622 12.984 13.408 165 1HZ LYS 53 1HZ LYS 53 9.304 14.820 14.848 166 2HZ LYS 53 2HZ LYS 53 7.855 14.352 14.248 167 3HZ LYS 53 3HZ LYS 53 8.260 13.986 15.812 168 HA PRO 54 HA PRO 54 9.934 7.960 9.299 169 1HB PRO 54 2HB PRO 54 8.178 6.743 7.641 170 2HB PRO 54 3HB PRO 54 8.091 6.515 9.414 171 1HG PRO 54 2HG PRO 54 6.496 8.455 7.722 172 2HG PRO 54 3HG PRO 54 5.859 7.299 8.923 173 1HD PRO 54 2HD PRO 54 6.353 9.929 9.517 174 2HD PRO 54 3HD PRO 54 6.614 8.615 10.712 175 H GLU 55 H GLU 55 11.011 7.940 7.315 176 HA GLU 55 HA GLU 55 10.447 10.124 5.364 177 1HB GLU 55 2HB GLU 55 13.049 8.660 6.013 178 2HB GLU 55 3HB GLU 55 12.854 10.076 4.973 179 1HG GLU 55 2HG GLU 55 12.153 11.413 6.964 180 2HG GLU 55 3HG GLU 55 12.388 9.992 7.999 181 H ALA 56 H ALA 56 10.686 9.539 3.064 182 HA ALA 56 HA ALA 56 10.076 6.930 2.260 183 1HB ALA 56 1HB ALA 56 11.641 9.087 0.770 184 2HB ALA 56 2HB ALA 56 10.961 7.628 0.018 185 3HB ALA 56 3HB ALA 56 9.892 8.819 0.756 186 H GLY 57 H GLY 57 11.501 5.391 1.020 187 1HA GLY 57 1HA GLY 57 13.456 4.193 0.715 188 2HA GLY 57 2HA GLY 57 14.352 5.287 1.773 189 H GLN 58 H GLN 58 11.742 4.717 3.661 190 HA GLN 58 HA GLN 58 13.094 2.582 5.168 191 1HB GLN 58 2HB GLN 58 10.602 4.256 5.683 192 2HB GLN 58 3HB GLN 58 11.186 2.961 6.740 193 1HG GLN 58 2HG GLN 58 13.352 4.155 7.024 194 2HG GLN 58 3HG GLN 58 12.772 5.457 5.975 195 1HE2 GLN 58 1HE2 GLN 58 11.092 3.645 8.653 196 2HE2 GLN 58 2HE2 GLN 58 10.778 5.099 9.581 197 H ARG 59 H ARG 59 11.997 0.665 5.813 198 HA ARG 59 HA ARG 59 9.994 -0.368 3.866 199 1HB ARG 59 2HB ARG 59 11.601 -1.899 5.935 200 2HB ARG 59 3HB ARG 59 10.525 -2.527 4.667 201 1HG ARG 59 2HG ARG 59 12.085 -1.329 2.994 202 2HG ARG 59 3HG ARG 59 13.230 -1.182 4.337 203 1HD ARG 59 2HD ARG 59 13.142 -3.638 4.689 204 2HD ARG 59 3HD ARG 59 12.009 -3.822 3.353 205 HE ARG 59 HE ARG 59 14.885 -3.447 3.231 206 1HH1 ARG 59 2HH2 ARG 59 11.867 -2.889 1.408 207 2HH1 ARG 59 1HH2 ARG 59 12.654 -2.892 -0.138 208 1HH2 ARG 59 1HH1 ARG 59 15.928 -3.336 1.187 209 2HH2 ARG 59 2HH1 ARG 59 15.010 -3.107 -0.264 210 H ILE 60 H ILE 60 7.943 -0.696 4.543 211 HA ILE 60 HA ILE 60 7.425 -1.366 7.290 212 HB ILE 60 HB ILE 60 5.550 0.163 7.633 213 1HG1 ILE 60 2HG1 ILE 60 6.573 1.810 5.315 214 2HG1 ILE 60 3HG1 ILE 60 5.230 0.669 5.135 215 1HG2 ILE 60 1HG2 ILE 60 7.792 0.715 8.586 216 2HG2 ILE 60 2HG2 ILE 60 8.073 1.808 7.210 217 3HG2 ILE 60 3HG2 ILE 60 6.751 2.118 8.347 218 1HD1 ILE 60 1HD1 ILE 60 4.279 2.829 5.485 219 2HD1 ILE 60 2HD1 ILE 60 3.963 1.831 6.914 220 3HD1 ILE 60 3HD1 ILE 60 5.225 3.087 6.963 221 H ARG 61 H ARG 61 4.842 -1.829 7.302 222 HA ARG 61 HA ARG 61 4.174 -3.008 4.684 223 1HB ARG 61 2HB ARG 61 3.112 -4.105 7.248 224 2HB ARG 61 3HB ARG 61 3.307 -4.928 5.725 225 1HG ARG 61 2HG ARG 61 5.779 -5.087 6.170 226 2HG ARG 61 3HG ARG 61 5.591 -4.135 7.617 227 1HD ARG 61 2HD ARG 61 3.945 -5.849 8.478 228 2HD ARG 61 3HD ARG 61 4.453 -6.915 7.184 229 HE ARG 61 HE ARG 61 6.130 -5.745 9.420 230 1HH1 ARG 61 2HH2 ARG 61 6.030 -8.228 6.972 231 2HH1 ARG 61 1HH2 ARG 61 6.867 -9.429 7.928 232 1HH2 ARG 61 1HH1 ARG 61 7.586 -7.036 10.511 233 2HH2 ARG 61 2HH1 ARG 61 7.815 -8.687 10.049 234 H VAL 62 H VAL 62 2.051 -2.429 4.024 235 HA VAL 62 HA VAL 62 0.603 -0.514 5.814 236 HB VAL 62 HB VAL 62 1.533 0.271 3.523 237 1HG1 VAL 62 1HG1 VAL 62 0.571 -1.608 2.150 238 2HG1 VAL 62 2HG1 VAL 62 -1.066 -1.024 2.536 239 3HG1 VAL 62 3HG1 VAL 62 0.052 0.000 1.634 240 1HG2 VAL 62 1HG2 VAL 62 0.066 1.585 4.956 241 2HG2 VAL 62 2HG2 VAL 62 -0.454 1.740 3.261 242 3HG2 VAL 62 3HG2 VAL 62 -1.325 0.664 4.376 243 H GLY 63 H GLY 63 -1.500 -1.120 6.417 244 1HA GLY 63 1HA GLY 63 -2.681 -3.534 5.117 245 2HA GLY 63 2HA GLY 63 -2.367 -3.504 6.868 246 H GLY 64 H GLY 64 -4.763 -3.153 4.599 247 1HA GLY 64 1HA GLY 64 -6.617 -1.817 6.315 248 2HA GLY 64 2HA GLY 64 -6.030 -0.707 5.055 249 H MET 65 H MET 65 -8.276 -0.742 4.212 250 HA MET 65 HA MET 65 -9.017 -3.256 2.812 251 1HB MET 65 2HB MET 65 -11.258 -2.331 2.738 252 2HB MET 65 3HB MET 65 -10.711 -2.765 4.348 253 1HG MET 65 2HG MET 65 -10.643 -0.620 5.134 254 2HG MET 65 3HG MET 65 -10.259 0.089 3.567 255 1HE MET 65 1HE MET 65 -12.778 -1.160 1.700 256 2HE MET 65 2HE MET 65 -13.447 0.482 1.684 257 3HE MET 65 3HE MET 65 -11.673 0.225 1.674 258 H VAL 66 H VAL 66 -9.093 -3.289 0.660 259 HA VAL 66 HA VAL 66 -8.416 -0.723 -0.728 260 HB VAL 66 HB VAL 66 -7.045 -2.881 -1.005 261 1HG1 VAL 66 1HG1 VAL 66 -7.747 -4.508 -2.575 262 2HG1 VAL 66 2HG1 VAL 66 -9.138 -4.303 -1.537 263 3HG1 VAL 66 3HG1 VAL 66 -9.115 -3.524 -3.129 264 1HG2 VAL 66 1HG2 VAL 66 -6.649 -0.909 -2.273 265 2HG2 VAL 66 2HG2 VAL 66 -6.662 -2.230 -3.429 266 3HG2 VAL 66 3HG2 VAL 66 -8.069 -1.174 -3.310 267 H THR 67 H THR 67 -9.832 0.258 -2.148 268 HA THR 67 HA THR 67 -12.576 -0.691 -2.275 269 HB THR 67 HB THR 67 -11.067 1.689 -3.364 270 HG1 THR 67 1HG THR 67 -11.959 1.840 -1.329 271 1HG2 THR 67 1HG2 THR 67 -13.124 2.479 -4.442 272 2HG2 THR 67 2HG2 THR 67 -12.545 1.033 -5.270 273 3HG2 THR 67 3HG2 THR 67 -13.923 0.927 -4.142 274 H VAL 68 H VAL 68 -13.576 -1.337 -4.100 275 HA VAL 68 HA VAL 68 -12.291 -3.455 -5.420 276 HB VAL 68 HB VAL 68 -14.613 -3.482 -4.849 277 1HG1 VAL 68 1HG1 VAL 68 -16.365 -2.392 -5.998 278 2HG1 VAL 68 2HG1 VAL 68 -15.230 -1.118 -5.538 279 3HG1 VAL 68 3HG1 VAL 68 -15.292 -1.708 -7.217 280 1HG2 VAL 68 1HG2 VAL 68 -15.457 -4.617 -6.841 281 2HG2 VAL 68 2HG2 VAL 68 -14.174 -3.892 -7.831 282 3HG2 VAL 68 3HG2 VAL 68 -13.763 -5.040 -6.539 283 H GLY 69 H GLY 69 -13.607 -0.517 -7.103 284 1HA GLY 69 1HA GLY 69 -12.173 -1.283 -9.524 285 2HA GLY 69 2HA GLY 69 -13.204 0.128 -9.281 286 H SER 70 H SER 70 -10.294 -0.788 -7.393 287 HA SER 70 HA SER 70 -9.153 1.904 -8.010 288 1HB SER 70 2HB SER 70 -8.693 0.045 -5.649 289 2HB SER 70 3HB SER 70 -8.044 1.684 -5.859 290 HG SER 70 HG SER 70 -10.203 2.444 -5.960 291 H MET 71 H MET 71 -8.403 -1.576 -8.268 292 HA MET 71 HA MET 71 -5.583 -0.989 -8.422 293 1HB MET 71 2HB MET 71 -6.801 -3.192 -7.602 294 2HB MET 71 3HB MET 71 -6.635 -3.675 -9.280 295 1HG MET 71 2HG MET 71 -4.093 -2.556 -8.431 296 2HG MET 71 3HG MET 71 -4.687 -3.606 -7.141 297 1HE MET 71 1HE MET 71 -3.435 -4.856 -11.282 298 2HE MET 71 2HE MET 71 -4.898 -3.831 -11.068 299 3HE MET 71 3HE MET 71 -3.293 -3.198 -10.626 300 H VAL 72 H VAL 72 -4.822 0.084 -10.145 301 HA VAL 72 HA VAL 72 -5.884 -0.593 -12.869 302 HB VAL 72 HB VAL 72 -5.004 1.511 -13.652 303 1HG1 VAL 72 1HG1 VAL 72 -6.857 1.886 -11.257 304 2HG1 VAL 72 2HG1 VAL 72 -6.684 2.974 -12.648 305 3HG1 VAL 72 3HG1 VAL 72 -7.352 1.349 -12.877 306 1HG2 VAL 72 1HG2 VAL 72 -4.301 3.290 -12.097 307 2HG2 VAL 72 2HG2 VAL 72 -4.345 2.137 -10.747 308 3HG2 VAL 72 3HG2 VAL 72 -3.182 1.922 -12.087 309 H ARG 73 H ARG 73 -4.327 -1.024 -14.517 310 HA ARG 73 HA ARG 73 -1.722 -1.931 -13.510 311 1HB ARG 73 2HB ARG 73 -2.290 -4.217 -14.587 312 2HB ARG 73 3HB ARG 73 -2.988 -3.786 -13.033 313 1HG ARG 73 2HG ARG 73 -5.137 -3.163 -14.181 314 2HG ARG 73 3HG ARG 73 -4.456 -3.802 -15.682 315 1HD ARG 73 2HD ARG 73 -4.907 -5.935 -15.046 316 2HD ARG 73 3HD ARG 73 -4.155 -5.724 -13.477 317 HE ARG 73 HE ARG 73 -6.940 -4.821 -14.149 318 1HH1 ARG 73 2HH2 ARG 73 -4.875 -6.590 -11.816 319 2HH1 ARG 73 1HH2 ARG 73 -6.116 -6.727 -10.633 320 1HH2 ARG 73 1HH1 ARG 73 -8.570 -5.008 -12.557 321 2HH2 ARG 73 2HH1 ARG 73 -8.233 -5.855 -11.078 322 H ASP 74 H ASP 74 -0.096 -1.969 -15.103 323 HA ASP 74 HA ASP 74 -0.667 -0.468 -17.476 324 1HB ASP 74 2HB ASP 74 1.716 -1.929 -16.289 325 2HB ASP 74 3HB ASP 74 1.734 -1.537 -18.000 326 HA PRO 75 HA PRO 75 -1.287 -4.032 -20.239 327 1HB PRO 75 2HB PRO 75 -0.424 -3.000 -22.637 328 2HB PRO 75 3HB PRO 75 -1.955 -2.457 -21.889 329 1HG PRO 75 2HG PRO 75 0.760 -1.114 -21.711 330 2HG PRO 75 3HG PRO 75 -0.806 -0.359 -22.123 331 1HD PRO 75 2HD PRO 75 0.233 -0.275 -19.601 332 2HD PRO 75 3HD PRO 75 -1.528 -0.424 -19.866 333 H ASN 76 H ASN 76 1.740 -2.321 -19.825 334 HA ASN 76 HA ASN 76 3.561 -4.303 -20.628 335 1HB ASN 76 2HB ASN 76 3.692 -2.610 -18.085 336 2HB ASN 76 3HB ASN 76 5.023 -3.448 -18.880 337 1HD2 ASN 76 1HD2 ASN 76 3.635 -0.327 -18.623 338 2HD2 ASN 76 2HD2 ASN 76 4.261 0.245 -20.147 339 H SER 77 H SER 77 1.200 -4.350 -17.975 340 HA SER 77 HA SER 77 0.438 -5.972 -16.664 341 1HB SER 77 2HB SER 77 1.919 -7.906 -18.495 342 2HB SER 77 3HB SER 77 0.577 -8.273 -17.409 343 HG SER 77 HG SER 77 0.484 -6.478 -19.628 344 H LEU 78 H LEU 78 3.030 -4.774 -16.147 345 HA LEU 78 HA LEU 78 4.104 -6.583 -14.022 346 1HB LEU 78 2HB LEU 78 6.319 -5.593 -14.422 347 2HB LEU 78 3HB LEU 78 5.701 -6.812 -15.520 348 HG LEU 78 HG LEU 78 4.898 -4.459 -16.815 349 1HD1 LEU 78 1HD1 LEU 78 6.177 -3.216 -15.125 350 2HD1 LEU 78 2HD1 LEU 78 7.663 -3.991 -15.708 351 3HD1 LEU 78 3HD1 LEU 78 6.711 -2.947 -16.806 352 1HD2 LEU 78 1HD2 LEU 78 5.815 -6.514 -17.758 353 2HD2 LEU 78 2HD2 LEU 78 6.598 -5.066 -18.419 354 3HD2 LEU 78 3HD2 LEU 78 7.436 -6.058 -17.189 355 H HIS 79 H HID 79 3.505 -3.157 -15.111 356 HA HIS 79 HA HID 79 3.996 -2.258 -12.351 357 1HB HIS 79 2HB HID 79 3.279 -0.761 -14.871 358 2HB HIS 79 3HB HID 79 3.467 -0.028 -13.279 359 HD1 HIS 79 1HD HID 79 6.130 -0.959 -12.207 360 HD2 HIS 79 2HD HID 79 5.382 -0.350 -16.309 361 HE1 HIS 79 1HE HID 79 8.399 -0.614 -13.317 362 H VAL 80 H VAL 80 2.380 -2.019 -10.939 363 HA VAL 80 HA VAL 80 -0.396 -1.762 -11.866 364 HB VAL 80 HB VAL 80 -1.104 -3.674 -10.400 365 1HG1 VAL 80 1HG1 VAL 80 -0.779 -5.419 -11.970 366 2HG1 VAL 80 2HG1 VAL 80 -0.736 -3.933 -12.936 367 3HG1 VAL 80 3HG1 VAL 80 0.767 -4.760 -12.529 368 1HG2 VAL 80 1HG2 VAL 80 0.799 -3.970 -8.989 369 2HG2 VAL 80 2HG2 VAL 80 0.566 -5.464 -9.908 370 3HG2 VAL 80 3HG2 VAL 80 1.861 -4.354 -10.368 371 H GLN 81 H GLN 81 -1.703 -0.684 -10.328 372 HA GLN 81 HA GLN 81 -0.488 -0.252 -7.653 373 1HB GLN 81 2HB GLN 81 -0.692 2.230 -7.892 374 2HB GLN 81 3HB GLN 81 0.603 1.516 -8.868 375 1HG GLN 81 2HG GLN 81 -0.507 1.824 -10.884 376 2HG GLN 81 3HG GLN 81 -2.094 1.874 -10.108 377 1HE2 GLN 81 1HE2 GLN 81 -3.038 3.851 -10.089 378 2HE2 GLN 81 2HE2 GLN 81 -2.150 5.357 -10.034 379 H PHE 82 H PHE 82 -1.876 0.736 -6.109 380 HA PHE 82 HA PHE 82 -4.753 0.866 -6.752 381 1HB PHE 82 2HB PHE 82 -5.306 -0.913 -5.111 382 2HB PHE 82 3HB PHE 82 -4.516 -1.486 -6.549 383 HD1 PHE 82 1HD PHE 82 -4.241 -1.107 -2.953 384 HD2 PHE 82 2HD PHE 82 -2.172 -2.396 -6.490 385 HE1 PHE 82 1HE PHE 82 -2.717 -2.506 -1.555 386 HE2 PHE 82 2HE PHE 82 -0.610 -3.713 -5.099 387 HZ PHE 82 HZ PHE 82 -0.973 -3.885 -2.632 388 H ALA 83 H ALA 83 -5.888 2.095 -5.308 389 HA ALA 83 HA ALA 83 -4.367 3.435 -3.199 390 1HB ALA 83 1HB ALA 83 -7.288 3.684 -4.078 391 2HB ALA 83 2HB ALA 83 -6.426 4.765 -2.964 392 3HB ALA 83 3HB ALA 83 -5.945 4.683 -4.669 393 H VAL 84 H VAL 84 -4.442 2.778 -1.078 394 HA VAL 84 HA VAL 84 -6.582 0.876 -0.169 395 HB VAL 84 HB VAL 84 -3.885 1.169 1.181 396 1HG1 VAL 84 1HG1 VAL 84 -4.488 -1.013 2.169 397 2HG1 VAL 84 2HG1 VAL 84 -5.967 -1.080 1.195 398 3HG1 VAL 84 3HG1 VAL 84 -5.808 0.116 2.479 399 1HG2 VAL 84 1HG2 VAL 84 -3.466 0.288 -1.126 400 2HG2 VAL 84 2HG2 VAL 84 -3.167 -0.908 0.144 401 3HG2 VAL 84 3HG2 VAL 84 -4.670 -0.988 -0.797 402 H HIS 85 H HID 85 -7.564 1.362 1.845 403 HA HIS 85 HA HID 85 -6.793 3.812 3.275 404 1HB HIS 85 2HB HID 85 -9.094 4.714 3.176 405 2HB HIS 85 3HB HID 85 -8.298 4.712 1.615 406 HD1 HIS 85 1HD HID 85 -11.579 4.371 2.602 407 HD2 HIS 85 2HD HID 85 -8.980 2.179 0.132 408 HE1 HIS 85 1HE HID 85 -13.031 3.091 0.950 409 H ASP 86 H ASP 86 -8.516 3.968 5.228 410 HA ASP 86 HA ASP 86 -9.238 1.193 6.051 411 1HB ASP 86 2HB ASP 86 -6.994 2.228 6.981 412 2HB ASP 86 3HB ASP 86 -8.076 3.140 8.053 413 H SER 87 H SER 87 -10.640 3.462 4.871 414 HA SER 87 HA SER 87 -12.450 4.793 5.061 415 1HB SER 87 2HB SER 87 -13.331 2.451 5.057 416 2HB SER 87 3HB SER 87 -13.432 2.523 6.830 417 HG SER 87 HG SER 87 -14.776 4.395 6.519 418 H LEU 88 H LEU 88 -10.410 5.354 7.209 419 HA LEU 88 HA LEU 88 -12.166 6.355 9.388 420 1HB LEU 88 2HB LEU 88 -9.232 5.729 9.124 421 2HB LEU 88 3HB LEU 88 -9.756 6.893 10.344 422 HG LEU 88 HG LEU 88 -11.015 4.134 10.159 423 1HD1 LEU 88 1HD1 LEU 88 -8.597 3.826 10.452 424 2HD1 LEU 88 2HD1 LEU 88 -8.583 5.008 11.781 425 3HD1 LEU 88 3HD1 LEU 88 -9.445 3.465 11.964 426 1HD2 LEU 88 1HD2 LEU 88 -12.254 5.824 11.518 427 2HD2 LEU 88 2HD2 LEU 88 -11.529 4.591 12.553 428 3HD2 LEU 88 3HD2 LEU 88 -10.769 6.188 12.417 429 H GLY 89 H GLY 89 -9.271 7.612 7.650 430 1HA GLY 89 1HA GLY 89 -10.594 10.116 6.980 431 2HA GLY 89 2HA GLY 89 -9.636 10.257 8.465 432 H GLY 90 H GLY 90 -8.989 8.286 5.507 433 1HA GLY 90 1HA GLY 90 -7.498 10.115 4.080 434 2HA GLY 90 2HA GLY 90 -6.332 9.330 5.166 435 H GLU 91 H GLU 91 -6.285 9.040 2.344 436 HA GLU 91 HA GLU 91 -6.532 6.131 2.091 437 1HB GLU 91 2HB GLU 91 -8.542 7.003 0.967 438 2HB GLU 91 3HB GLU 91 -7.584 8.200 0.084 439 1HG GLU 91 2HG GLU 91 -6.517 6.526 -1.251 440 2HG GLU 91 3HG GLU 91 -7.106 5.207 -0.231 441 H ILE 92 H ILE 92 -4.819 5.348 0.806 442 HA ILE 92 HA ILE 92 -2.847 7.316 -0.192 443 HB ILE 92 HB ILE 92 -2.523 5.401 2.036 444 1HG1 ILE 92 2HG1 ILE 92 -1.856 7.616 2.365 445 2HG1 ILE 92 3HG1 ILE 92 -0.436 6.595 2.463 446 1HG2 ILE 92 1HG2 ILE 92 -0.432 5.083 -0.139 447 2HG2 ILE 92 2HG2 ILE 92 -0.368 4.454 1.505 448 3HG2 ILE 92 3HG2 ILE 92 -1.604 3.852 0.413 449 1HD1 ILE 92 1HD1 ILE 92 -1.153 8.570 0.275 450 2HD1 ILE 92 2HD1 ILE 92 0.242 8.545 1.346 451 3HD1 ILE 92 3HD1 ILE 92 0.102 7.325 0.065 452 H LEU 93 H LEU 93 -1.581 6.385 -1.904 453 HA LEU 93 HA LEU 93 -1.509 4.418 -2.182 454 1HB LEU 93 2HB LEU 93 -1.160 6.564 -3.926 455 2HB LEU 93 3HB LEU 93 -1.095 5.246 -5.087 456 HG LEU 93 HG LEU 93 -3.836 5.968 -4.143 457 1HD1 LEU 93 1HD1 LEU 93 -2.270 7.667 -6.109 458 2HD1 LEU 93 2HD1 LEU 93 -4.001 7.807 -5.727 459 3HD1 LEU 93 3HD1 LEU 93 -2.791 8.152 -4.472 460 1HD2 LEU 93 1HD2 LEU 93 -2.633 5.305 -6.873 461 2HD2 LEU 93 2HD2 LEU 93 -3.356 4.120 -5.765 462 3HD2 LEU 93 3HD2 LEU 93 -4.360 5.402 -6.474 463 H VAL 94 H VAL 94 -1.711 2.131 -3.209 464 HA VAL 94 HA VAL 94 1.179 2.036 -2.662 465 HB VAL 94 HB VAL 94 -0.938 -0.140 -2.938 466 1HG1 VAL 94 1HG1 VAL 94 1.326 -1.017 -3.379 467 2HG1 VAL 94 2HG1 VAL 94 1.932 -0.245 -1.900 468 3HG1 VAL 94 3HG1 VAL 94 0.754 -1.570 -1.800 469 1HG2 VAL 94 1HG2 VAL 94 0.327 1.152 -0.480 470 2HG2 VAL 94 2HG2 VAL 94 -1.357 1.351 -0.990 471 3HG2 VAL 94 3HG2 VAL 94 -0.789 -0.241 -0.471 472 H THR 95 H THR 95 2.652 1.217 -4.159 473 HA THR 95 HA THR 95 1.684 0.931 -6.952 474 HB THR 95 HB THR 95 4.052 1.968 -7.395 475 HG1 THR 95 1HG THR 95 4.317 1.850 -4.873 476 1HG2 THR 95 1HG2 THR 95 3.184 4.273 -7.192 477 2HG2 THR 95 2HG2 THR 95 1.948 3.195 -7.860 478 3HG2 THR 95 3HG2 THR 95 1.859 3.696 -6.156 479 H TYR 96 H TYR 96 2.756 -0.636 -8.181 480 HA TYR 96 HA TYR 96 4.747 -2.403 -6.856 481 1HB TYR 96 2HB TYR 96 1.887 -2.856 -7.461 482 2HB TYR 96 3HB TYR 96 2.939 -3.951 -8.360 483 HD1 TYR 96 HD1 TYR 96 3.784 -5.862 -7.406 484 HD2 TYR 96 HD2 TYR 96 2.030 -2.795 -4.935 485 HE1 TYR 96 HE1 TYR 96 3.522 -7.485 -5.589 486 HE2 TYR 96 HE2 TYR 96 1.826 -4.437 -3.071 487 HH TYR 96 HH TYR 96 3.062 -7.756 -3.379 488 H ASP 97 H ASP 97 6.291 -3.106 -8.346 489 HA ASP 97 HA ASP 97 5.723 -2.775 -11.228 490 1HB ASP 97 2HB ASP 97 8.182 -2.650 -11.431 491 2HB ASP 97 3HB ASP 97 7.512 -1.344 -10.440 492 H ASP 98 H ASP 98 5.157 -5.088 -9.182 493 HA ASP 98 HA ASP 98 6.142 -7.227 -11.026 494 1HB ASP 98 2HB ASP 98 5.226 -7.631 -8.131 495 2HB ASP 98 3HB ASP 98 5.977 -8.823 -9.186 496 H LEU 99 H LEU 99 4.703 -9.015 -11.209 497 HA LEU 99 HA LEU 99 1.856 -8.394 -11.346 498 1HB LEU 99 2HB LEU 99 3.341 -11.043 -11.522 499 2HB LEU 99 3HB LEU 99 1.605 -10.820 -11.702 500 HG LEU 99 HG LEU 99 2.222 -9.083 -13.545 501 1HD1 LEU 99 1HD1 LEU 99 4.717 -10.854 -13.543 502 2HD1 LEU 99 2HD1 LEU 99 4.235 -9.784 -14.873 503 3HD1 LEU 99 3HD1 LEU 99 4.689 -9.091 -13.320 504 1HD2 LEU 99 1HD2 LEU 99 2.118 -10.878 -15.240 505 2HD2 LEU 99 2HD2 LEU 99 2.467 -12.083 -13.980 506 3HD2 LEU 99 3HD2 LEU 99 0.961 -11.139 -13.928 507 H LEU 100 H LEU 100 0.796 -8.115 -9.547 508 HA LEU 100 HA LEU 100 1.386 -9.130 -6.962 509 1HB LEU 100 2HB LEU 100 -1.134 -8.122 -8.410 510 2HB LEU 100 3HB LEU 100 -1.212 -8.625 -6.728 511 HG LEU 100 HG LEU 100 0.927 -6.636 -7.490 512 1HD1 LEU 100 1HD1 LEU 100 -0.443 -4.727 -7.331 513 2HD1 LEU 100 2HD1 LEU 100 -1.257 -5.762 -8.521 514 3HD1 LEU 100 3HD1 LEU 100 -1.869 -5.614 -6.862 515 1HD2 LEU 100 1HD2 LEU 100 -0.928 -7.057 -5.107 516 2HD2 LEU 100 2HD2 LEU 100 0.765 -7.547 -5.199 517 3HD2 LEU 100 3HD2 LEU 100 0.310 -5.817 -5.206 518 HA PRO 101 HA PRO 101 -0.374 -13.337 -7.314 519 1HB PRO 101 2HB PRO 101 -1.448 -13.795 -4.850 520 2HB PRO 101 3HB PRO 101 0.314 -13.596 -5.081 521 1HG PRO 101 2HG PRO 101 -1.685 -11.427 -4.313 522 2HG PRO 101 3HG PRO 101 -0.237 -11.881 -3.396 523 1HD PRO 101 2HD PRO 101 -0.144 -9.848 -5.153 524 2HD PRO 101 3HD PRO 101 1.207 -11.015 -5.146 525 H ASP 102 H ASP 102 -2.432 -14.364 -7.742 526 HA ASP 102 HA ASP 102 -4.488 -14.274 -8.752 527 1HB ASP 102 2HB ASP 102 -4.878 -13.622 -5.821 528 2HB ASP 102 3HB ASP 102 -6.254 -13.656 -6.927 529 H LEU 103 H LEU 103 -3.251 -12.174 -9.717 530 HA LEU 103 HA LEU 103 -3.254 -10.099 -10.481 531 1HB LEU 103 2HB LEU 103 -5.104 -9.424 -11.797 532 2HB LEU 103 3HB LEU 103 -4.946 -11.165 -11.939 533 HG LEU 103 HG LEU 103 -6.849 -10.284 -9.797 534 1HD1 LEU 103 1HD1 LEU 103 -7.418 -9.613 -12.689 535 2HD1 LEU 103 2HD1 LEU 103 -8.626 -9.677 -11.379 536 3HD1 LEU 103 3HD1 LEU 103 -7.313 -8.505 -11.298 537 1HD2 LEU 103 1HD2 LEU 103 -6.609 -12.666 -10.617 538 2HD2 LEU 103 2HD2 LEU 103 -8.249 -12.019 -10.782 539 3HD2 LEU 103 3HD2 LEU 103 -7.194 -12.128 -12.205 540 H PHE 104 H PHE 104 -3.678 -10.263 -7.630 541 HA PHE 104 HA PHE 104 -4.242 -9.232 -5.786 542 1HB PHE 104 2HB PHE 104 -2.944 -7.403 -6.551 543 2HB PHE 104 3HB PHE 104 -4.301 -6.796 -7.489 544 HD1 PHE 104 1HD PHE 104 -2.794 -6.933 -4.063 545 HD2 PHE 104 2HD PHE 104 -6.134 -5.651 -6.487 546 HE1 PHE 104 1HE PHE 104 -3.344 -5.244 -2.439 547 HE2 PHE 104 2HE PHE 104 -6.793 -4.068 -4.724 548 HZ PHE 104 HZ PHE 104 -5.369 -3.867 -2.646 549 H ARG 105 H ARG 105 -6.059 -9.983 -5.101 550 HA ARG 105 HA ARG 105 -8.590 -9.784 -6.466 551 1HB ARG 105 2HB ARG 105 -7.889 -10.560 -3.600 552 2HB ARG 105 3HB ARG 105 -9.419 -10.910 -4.401 553 1HG ARG 105 2HG ARG 105 -6.771 -11.960 -5.491 554 2HG ARG 105 3HG ARG 105 -7.596 -12.723 -4.152 555 1HD ARG 105 2HD ARG 105 -9.686 -12.516 -5.989 556 2HD ARG 105 3HD ARG 105 -8.301 -12.691 -7.046 557 HE ARG 105 HE ARG 105 -7.917 -14.886 -6.222 558 1HH1 ARG 105 2HH2 ARG 105 -10.003 -13.147 -3.928 559 2HH1 ARG 105 1HH2 ARG 105 -10.398 -14.648 -3.072 560 1HH2 ARG 105 1HH1 ARG 105 -8.467 -16.748 -4.995 561 2HH2 ARG 105 2HH1 ARG 105 -9.604 -16.537 -3.623 562 H GLU 106 H GLU 106 -9.661 -7.800 -6.543 563 HA GLU 106 HA GLU 106 -9.056 -5.758 -4.617 564 1HB GLU 106 2HB GLU 106 -11.190 -5.703 -6.794 565 2HB GLU 106 3HB GLU 106 -10.332 -4.360 -6.015 566 1HG GLU 106 2HG GLU 106 -9.265 -4.432 -8.024 567 2HG GLU 106 3HG GLU 106 -8.183 -5.399 -7.026 568 H GLY 107 H GLY 107 -10.952 -4.355 -3.766 569 1HA GLY 107 1HA GLY 107 -12.817 -4.061 -2.470 570 2HA GLY 107 2HA GLY 107 -13.543 -5.371 -3.408 571 H GLN 108 H GLN 108 -10.764 -5.413 -1.103 572 HA GLN 108 HA GLN 108 -12.218 -6.718 0.981 573 1HB GLN 108 2HB GLN 108 -10.932 -8.850 0.940 574 2HB GLN 108 3HB GLN 108 -12.012 -8.642 -0.429 575 1HG GLN 108 2HG GLN 108 -9.824 -7.722 -1.654 576 2HG GLN 108 3HG GLN 108 -8.993 -8.606 -0.368 577 1HE2 GLN 108 1HE2 GLN 108 -11.471 -8.912 -2.971 578 2HE2 GLN 108 2HE2 GLN 108 -11.286 -10.644 -3.175 579 H GLY 109 H GLY 109 -10.349 -7.504 2.639 580 1HA GLY 109 1HA GLY 109 -8.478 -5.202 2.850 581 2HA GLY 109 2HA GLY 109 -8.985 -6.227 4.172 582 H ILE 110 H ILE 110 -6.299 -5.457 2.964 583 HA ILE 110 HA ILE 110 -5.117 -8.115 2.902 584 HB ILE 110 HB ILE 110 -3.924 -7.878 0.834 585 1HG1 ILE 110 2HG1 ILE 110 -4.972 -5.795 -0.653 586 2HG1 ILE 110 3HG1 ILE 110 -4.755 -5.049 0.925 587 1HG2 ILE 110 1HG2 ILE 110 -6.206 -8.852 0.624 588 2HG2 ILE 110 2HG2 ILE 110 -6.811 -7.252 0.138 589 3HG2 ILE 110 3HG2 ILE 110 -5.611 -8.091 -0.854 590 1HD1 ILE 110 1HD1 ILE 110 -2.661 -6.614 -0.681 591 2HD1 ILE 110 2HD1 ILE 110 -2.692 -4.848 -0.379 592 3HD1 ILE 110 3HD1 ILE 110 -2.383 -5.967 0.945 593 H VAL 111 H VAL 111 -2.666 -7.835 3.006 594 HA VAL 111 HA VAL 111 -1.850 -5.154 3.971 595 HB VAL 111 HB VAL 111 -0.673 -6.065 5.814 596 1HG1 VAL 111 1HG1 VAL 111 -3.152 -5.532 6.111 597 2HG1 VAL 111 2HG1 VAL 111 -3.475 -7.260 5.965 598 3HG1 VAL 111 3HG1 VAL 111 -2.474 -6.657 7.297 599 1HG2 VAL 111 1HG2 VAL 111 -0.893 -8.423 6.545 600 2HG2 VAL 111 2HG2 VAL 111 -1.827 -8.795 5.084 601 3HG2 VAL 111 3HG2 VAL 111 -0.120 -8.320 4.958 602 H ALA 112 H ALA 112 0.133 -4.506 3.256 603 HA ALA 112 HA ALA 112 1.520 -6.266 1.290 604 1HB ALA 112 1HB ALA 112 1.088 -3.287 0.936 605 2HB ALA 112 2HB ALA 112 1.521 -4.479 -0.281 606 3HB ALA 112 3HB ALA 112 -0.135 -4.422 0.373 607 H GLN 113 H GLN 113 3.827 -5.798 1.025 608 HA GLN 113 HA GLN 113 4.947 -3.625 2.671 609 1HB GLN 113 2HB GLN 113 6.486 -5.042 3.895 610 2HB GLN 113 3HB GLN 113 4.818 -5.563 4.196 611 1HG GLN 113 2HG GLN 113 5.081 -7.410 2.599 612 2HG GLN 113 3HG GLN 113 6.791 -6.937 2.391 613 1HE2 GLN 113 1HE2 GLN 113 7.184 -9.316 3.188 614 2HE2 GLN 113 2HE2 GLN 113 7.227 -9.476 4.910 615 H GLY 114 H GLY 114 7.121 -3.039 2.252 616 1HA GLY 114 1HA GLY 114 8.869 -4.381 0.571 617 2HA GLY 114 2HA GLY 114 7.980 -3.330 -0.525 618 H VAL 115 H VAL 115 8.228 -0.986 -0.313 619 HA VAL 115 HA VAL 115 9.748 0.160 1.823 620 HB VAL 115 HB VAL 115 11.720 -0.583 0.756 621 1HG1 VAL 115 1HG1 VAL 115 10.797 -1.414 -1.393 622 2HG1 VAL 115 2HG1 VAL 115 10.538 0.257 -1.930 623 3HG1 VAL 115 3HG1 VAL 115 12.182 -0.358 -1.686 624 1HG2 VAL 115 1HG2 VAL 115 12.895 1.316 -0.050 625 2HG2 VAL 115 2HG2 VAL 115 11.400 2.168 -0.453 626 3HG2 VAL 115 3HG2 VAL 115 11.809 1.826 1.246 627 H LEU 116 H LEU 116 9.655 2.457 1.817 628 HA LEU 116 HA LEU 116 7.376 3.421 0.194 629 1HB LEU 116 2HB LEU 116 8.873 4.885 2.379 630 2HB LEU 116 3HB LEU 116 7.278 5.234 1.702 631 HG LEU 116 HG LEU 116 8.134 3.138 3.688 632 1HD1 LEU 116 1HD1 LEU 116 5.596 4.763 3.511 633 2HD1 LEU 116 2HD1 LEU 116 6.343 4.047 4.949 634 3HD1 LEU 116 3HD1 LEU 116 7.119 5.426 4.164 635 1HD2 LEU 116 1HD2 LEU 116 5.963 2.684 1.644 636 2HD2 LEU 116 2HD2 LEU 116 7.031 1.529 2.440 637 3HD2 LEU 116 3HD2 LEU 116 5.655 2.214 3.305 638 H GLY 117 H GLY 117 7.408 5.124 -1.303 639 1HA GLY 117 1HA GLY 117 10.027 6.375 -1.881 640 2HA GLY 117 2HA GLY 117 8.994 5.673 -3.140 641 H GLU 118 H GLU 118 9.779 8.342 -2.824 642 HA GLU 118 HA GLU 118 8.962 10.456 -3.207 643 1HB GLU 118 2HB GLU 118 7.789 8.827 -4.898 644 2HB GLU 118 3HB GLU 118 6.335 9.099 -3.924 645 1HG GLU 118 2HG GLU 118 6.591 11.549 -4.346 646 2HG GLU 118 3HG GLU 118 8.022 11.199 -5.328 647 H ASP 119 H ASP 119 8.836 9.629 -0.588 648 HA ASP 119 HA ASP 119 7.637 9.272 1.344 649 1HB ASP 119 2HB ASP 119 7.280 12.255 0.926 650 2HB ASP 119 3HB ASP 119 7.318 11.392 2.465 651 H GLY 120 H GLY 120 5.918 8.347 -0.599 652 1HA GLY 120 1HA GLY 120 3.233 8.997 0.405 653 2HA GLY 120 2HA GLY 120 3.670 9.802 -1.111 654 H LYS 121 H LYS 121 5.118 7.753 -2.443 655 HA LYS 121 HA LYS 121 2.870 5.872 -3.026 656 1HB LYS 121 2HB LYS 121 5.136 6.977 -4.665 657 2HB LYS 121 3HB LYS 121 4.570 5.332 -4.981 658 1HG LYS 121 2HG LYS 121 3.365 6.873 -6.368 659 2HG LYS 121 3HG LYS 121 2.276 6.053 -5.208 660 1HD LYS 121 2HD LYS 121 2.045 8.053 -3.876 661 2HD LYS 121 3HD LYS 121 3.487 8.780 -4.586 662 1HE LYS 121 2HE LYS 121 1.475 9.885 -5.407 663 2HE LYS 121 3HE LYS 121 2.407 9.137 -6.709 664 1HZ LYS 121 1HZ LYS 121 0.004 7.963 -5.472 665 2HZ LYS 121 2HZ LYS 121 0.059 8.719 -6.936 666 3HZ LYS 121 3HZ LYS 121 0.873 7.308 -6.709 667 H LEU 122 H LEU 122 2.917 4.006 -2.035 668 HA LEU 122 HA LEU 122 5.427 3.174 -0.738 669 1HB LEU 122 2HB LEU 122 2.769 1.769 -0.587 670 2HB LEU 122 3HB LEU 122 4.143 1.685 0.509 671 HG LEU 122 HG LEU 122 2.040 3.835 0.185 672 1HD1 LEU 122 1HD1 LEU 122 3.271 2.489 2.618 673 2HD1 LEU 122 2HD1 LEU 122 1.814 3.498 2.570 674 3HD1 LEU 122 3HD1 LEU 122 1.814 1.925 1.763 675 1HD2 LEU 122 1HD2 LEU 122 3.969 5.287 0.179 676 2HD2 LEU 122 2HD2 LEU 122 3.237 5.314 1.772 677 3HD2 LEU 122 3HD2 LEU 122 4.720 4.393 1.495 678 H ALA 123 H ALA 123 6.836 1.824 -1.885 679 HA ALA 123 HA ALA 123 5.753 0.449 -4.274 680 1HB ALA 123 1HB ALA 123 7.785 1.769 -4.594 681 2HB ALA 123 2HB ALA 123 8.611 0.877 -3.300 682 3HB ALA 123 3HB ALA 123 8.132 0.038 -4.791 683 H ALA 124 H ALA 124 4.722 -1.371 -3.573 684 HA ALA 124 HA ALA 124 5.992 -3.025 -1.412 685 1HB ALA 124 1HB ALA 124 3.711 -4.042 -1.234 686 2HB ALA 124 2HB ALA 124 3.835 -2.340 -0.743 687 3HB ALA 124 3HB ALA 124 3.133 -2.743 -2.314 688 H THR 125 H THR 125 5.952 -5.336 -1.713 689 HA THR 125 HA THR 125 5.595 -6.284 -4.510 690 HB THR 125 HB THR 125 7.890 -5.853 -4.545 691 HG1 THR 125 1HG THR 125 7.218 -7.693 -5.568 692 1HG2 THR 125 1HG2 THR 125 9.493 -6.940 -3.057 693 2HG2 THR 125 2HG2 THR 125 8.421 -5.903 -2.099 694 3HG2 THR 125 3HG2 THR 125 8.195 -7.671 -2.102 695 H GLU 126 H GLU 126 6.014 -7.201 -1.041 696 HA GLU 126 HA GLU 126 4.677 -9.798 -1.629 697 1HB GLU 126 2HB GLU 126 6.697 -9.757 -0.244 698 2HB GLU 126 3HB GLU 126 5.900 -8.674 0.899 699 1HG GLU 126 2HG GLU 126 4.188 -10.455 1.344 700 2HG GLU 126 3HG GLU 126 5.040 -11.522 0.210 701 H VAL 127 H VAL 127 2.512 -10.023 -1.256 702 HA VAL 127 HA VAL 127 1.198 -8.265 0.691 703 HB VAL 127 HB VAL 127 -0.936 -8.509 -0.728 704 1HG1 VAL 127 1HG1 VAL 127 -0.315 -6.446 -2.121 705 2HG1 VAL 127 2HG1 VAL 127 -0.271 -6.419 -0.352 706 3HG1 VAL 127 3HG1 VAL 127 1.243 -6.534 -1.256 707 1HG2 VAL 127 1HG2 VAL 127 -0.698 -8.586 -3.134 708 2HG2 VAL 127 2HG2 VAL 127 1.055 -8.859 -3.003 709 3HG2 VAL 127 3HG2 VAL 127 -0.085 -10.057 -2.370 710 H LEU 128 H LEU 128 -0.175 -9.251 2.005 711 HA LEU 128 HA LEU 128 -0.450 -12.228 1.783 712 1HB LEU 128 2HB LEU 128 -0.509 -10.546 4.274 713 2HB LEU 128 3HB LEU 128 -0.550 -12.298 4.116 714 HG LEU 128 HG LEU 128 1.573 -11.709 4.953 715 1HD1 LEU 128 1HD1 LEU 128 3.132 -12.589 3.364 716 2HD1 LEU 128 2HD1 LEU 128 1.596 -13.469 3.209 717 3HD1 LEU 128 3HD1 LEU 128 2.052 -12.238 2.004 718 1HD2 LEU 128 1HD2 LEU 128 1.704 -9.317 4.309 719 2HD2 LEU 128 2HD2 LEU 128 3.193 -10.218 4.028 720 3HD2 LEU 128 3HD2 LEU 128 2.166 -9.796 2.665 721 H ALA 129 H ALA 129 -2.284 -12.055 0.596 722 HA ALA 129 HA ALA 129 -4.550 -10.342 1.322 723 1HB ALA 129 1HB ALA 129 -3.994 -10.753 -1.037 724 2HB ALA 129 2HB ALA 129 -4.325 -12.488 -0.825 725 3HB ALA 129 3HB ALA 129 -5.637 -11.302 -0.657 726 H LYS 130 H LYS 130 -4.266 -11.591 3.522 727 HA LYS 130 HA LYS 130 -5.367 -14.257 3.664 728 1HB LYS 130 2HB LYS 130 -4.865 -14.074 6.033 729 2HB LYS 130 3HB LYS 130 -3.541 -13.477 5.026 730 1HG LYS 130 2HG LYS 130 -4.820 -11.105 5.474 731 2HG LYS 130 3HG LYS 130 -5.350 -11.968 6.908 732 1HD LYS 130 2HD LYS 130 -2.473 -11.555 5.965 733 2HD LYS 130 3HD LYS 130 -3.276 -10.650 7.256 734 1HE LYS 130 2HE LYS 130 -3.507 -12.681 8.624 735 2HE LYS 130 3HE LYS 130 -2.826 -13.682 7.334 736 1HZ LYS 130 1HZ LYS 130 -1.203 -13.178 8.991 737 2HZ LYS 130 2HZ LYS 130 -0.764 -12.515 7.554 738 3HZ LYS 130 3HZ LYS 130 -1.370 -11.559 8.752 739 H HIS 131 H HID 131 -7.384 -12.918 2.467 740 HA HIS 131 HA HID 131 -9.583 -13.043 4.439 741 1HB HIS 131 2HB HID 131 -8.960 -10.539 2.812 742 2HB HIS 131 3HB HID 131 -10.493 -10.844 3.622 743 HD1 HIS 131 1HD HID 131 -10.477 -10.891 6.336 744 HD2 HIS 131 2HD HID 131 -6.863 -9.861 4.451 745 HE1 HIS 131 1HE HID 131 -8.951 -9.939 8.146 746 H ASP 132 H ASP 132 -9.117 -14.987 2.750 747 HA ASP 132 HA ASP 132 -11.445 -14.842 0.945 748 1HB ASP 132 2HB ASP 132 -9.440 -14.667 -0.511 749 2HB ASP 132 3HB ASP 132 -8.755 -16.113 0.250 Start of MODEL 4 1 H SER 32 H SER 32 11.142 -0.466 19.027 2 HA SER 32 HA SER 32 9.207 -2.419 18.363 3 1HB SER 32 2HB SER 32 9.972 0.125 16.861 4 2HB SER 32 3HB SER 32 8.428 -0.734 16.739 5 HG SER 32 HG SER 32 8.120 -0.296 18.985 6 H ASN 33 H ASN 33 8.882 -3.668 16.455 7 HA ASN 33 HA ASN 33 11.256 -4.451 15.005 8 1HB ASN 33 2HB ASN 33 9.047 -5.798 15.411 9 2HB ASN 33 3HB ASN 33 8.414 -4.910 14.018 10 1HD2 ASN 33 1HD2 ASN 33 8.892 -5.904 11.941 11 2HD2 ASN 33 2HD2 ASN 33 10.191 -7.071 11.786 12 H LEU 34 H LEU 34 12.003 -3.597 12.992 13 HA LEU 34 HA LEU 34 11.079 -1.002 12.188 14 1HB LEU 34 2HB LEU 34 12.847 -3.131 10.925 15 2HB LEU 34 3HB LEU 34 12.385 -1.705 10.004 16 HG LEU 34 HG LEU 34 14.609 -1.557 11.073 17 1HD1 LEU 34 1HD1 LEU 34 14.393 0.763 11.760 18 2HD1 LEU 34 2HD1 LEU 34 13.352 0.435 10.366 19 3HD1 LEU 34 3HD1 LEU 34 12.646 0.587 11.989 20 1HD2 LEU 34 1HD2 LEU 34 13.124 -1.242 13.714 21 2HD2 LEU 34 2HD2 LEU 34 14.067 -2.675 13.238 22 3HD2 LEU 34 3HD2 LEU 34 14.868 -1.107 13.428 23 H ASN 35 H ASN 35 10.649 -4.214 10.753 24 HA ASN 35 HA ASN 35 8.770 -3.139 8.735 25 1HB ASN 35 2HB ASN 35 10.725 -4.511 8.119 26 2HB ASN 35 3HB ASN 35 10.088 -5.869 9.061 27 1HD2 ASN 35 1HD2 ASN 35 10.648 -5.744 6.137 28 2HD2 ASN 35 2HD2 ASN 35 9.101 -6.092 5.379 29 H LEU 36 H LEU 36 6.776 -2.828 9.886 30 HA LEU 36 HA LEU 36 5.438 -5.326 10.754 31 1HB LEU 36 2HB LEU 36 4.620 -4.466 12.750 32 2HB LEU 36 3HB LEU 36 6.351 -4.182 12.811 33 HG LEU 36 HG LEU 36 4.526 -1.939 11.837 34 1HD1 LEU 36 1HD1 LEU 36 4.923 -2.745 14.737 35 2HD1 LEU 36 2HD1 LEU 36 4.229 -1.209 14.175 36 3HD1 LEU 36 3HD1 LEU 36 3.392 -2.730 13.832 37 1HD2 LEU 36 1HD2 LEU 36 6.908 -1.803 13.677 38 2HD2 LEU 36 2HD2 LEU 36 7.124 -1.854 11.913 39 3HD2 LEU 36 3HD2 LEU 36 6.238 -0.527 12.654 40 H PHE 37 H PHE 37 3.078 -4.854 11.241 41 HA PHE 37 HA PHE 37 1.910 -3.689 8.837 42 1HB PHE 37 2HB PHE 37 0.614 -5.093 11.176 43 2HB PHE 37 3HB PHE 37 -0.142 -4.695 9.645 44 HD1 PHE 37 1HD PHE 37 0.730 -5.804 7.489 45 HD2 PHE 37 2HD PHE 37 1.841 -7.165 11.431 46 HE1 PHE 37 1HE PHE 37 1.364 -8.023 6.559 47 HE2 PHE 37 2HE PHE 37 2.389 -9.392 10.506 48 HZ PHE 37 HZ PHE 37 2.088 -9.847 8.073 49 H TYR 38 H TYR 38 1.254 -1.659 8.675 50 HA TYR 38 HA TYR 38 0.166 -0.300 11.092 51 1HB TYR 38 2HB TYR 38 2.438 0.501 9.358 52 2HB TYR 38 3HB TYR 38 1.211 1.744 9.529 53 HD1 TYR 38 HD1 TYR 38 4.139 0.447 11.046 54 HD2 TYR 38 HD2 TYR 38 0.320 2.244 11.951 55 HE1 TYR 38 HE1 TYR 38 4.998 1.210 13.248 56 HE2 TYR 38 HE2 TYR 38 1.151 2.860 14.199 57 HH TYR 38 HH TYR 38 4.470 2.108 15.287 58 H THR 39 H THR 39 -1.560 0.998 10.819 59 HA THR 39 HA THR 39 -3.364 0.551 8.711 60 HB THR 39 HB THR 39 -3.151 2.604 10.969 61 HG1 THR 39 1HG THR 39 -4.546 0.145 10.796 62 1HG2 THR 39 1HG2 THR 39 -4.822 3.390 9.385 63 2HG2 THR 39 2HG2 THR 39 -5.580 1.781 9.343 64 3HG2 THR 39 3HG2 THR 39 -5.612 2.750 10.835 65 HA PRO 40 HA PRO 40 -1.513 3.515 5.936 66 1HB PRO 40 2HB PRO 40 -3.575 4.060 4.195 67 2HB PRO 40 3HB PRO 40 -2.509 2.645 4.125 68 1HG PRO 40 2HG PRO 40 -5.226 2.841 5.355 69 2HG PRO 40 3HG PRO 40 -4.592 1.533 4.323 70 1HD PRO 40 2HD PRO 40 -4.665 1.233 7.010 71 2HD PRO 40 3HD PRO 40 -3.222 0.691 6.095 72 H SER 41 H SER 41 -4.826 4.385 7.210 73 HA SER 41 HA SER 41 -4.783 7.104 6.893 74 1HB SER 41 2HB SER 41 -5.626 5.610 9.415 75 2HB SER 41 3HB SER 41 -6.135 7.241 8.943 76 HG SER 41 HG SER 41 -7.324 6.469 7.381 77 H GLU 42 H GLU 42 -2.944 5.312 9.388 78 HA GLU 42 HA GLU 42 -2.192 7.690 10.827 79 1HB GLU 42 2HB GLU 42 -2.114 5.376 11.752 80 2HB GLU 42 3HB GLU 42 -0.756 4.997 10.672 81 1HG GLU 42 2HG GLU 42 0.551 6.800 11.670 82 2HG GLU 42 3HG GLU 42 -0.802 7.265 12.724 83 H ILE 43 H ILE 43 -0.951 5.932 8.027 84 HA ILE 43 HA ILE 43 1.312 7.822 7.711 85 HB ILE 43 HB ILE 43 2.365 6.076 6.356 86 1HG1 ILE 43 2HG1 ILE 43 0.152 4.257 7.371 87 2HG1 ILE 43 3HG1 ILE 43 0.331 4.835 5.698 88 1HG2 ILE 43 1HG2 ILE 43 3.152 4.781 8.240 89 2HG2 ILE 43 2HG2 ILE 43 2.869 6.435 8.763 90 3HG2 ILE 43 3HG2 ILE 43 1.696 5.168 9.180 91 1HD1 ILE 43 1HD1 ILE 43 1.204 2.604 5.830 92 2HD1 ILE 43 2HD1 ILE 43 2.570 3.718 5.616 93 3HD1 ILE 43 3HD1 ILE 43 2.221 3.009 7.217 94 H VAL 44 H VAL 44 -1.426 8.561 6.967 95 HA VAL 44 HA VAL 44 -1.005 8.783 4.005 96 HB VAL 44 HB VAL 44 -3.128 7.579 4.912 97 1HG1 VAL 44 1HG1 VAL 44 -3.735 9.544 6.478 98 2HG1 VAL 44 2HG1 VAL 44 -4.102 10.467 5.008 99 3HG1 VAL 44 3HG1 VAL 44 -5.025 9.024 5.386 100 1HG2 VAL 44 1HG2 VAL 44 -3.274 9.790 2.826 101 2HG2 VAL 44 2HG2 VAL 44 -2.785 8.108 2.565 102 3HG2 VAL 44 3HG2 VAL 44 -4.447 8.478 3.039 103 H ASN 45 H ASN 45 -1.484 10.577 7.025 104 HA ASN 45 HA ASN 45 -1.512 13.151 5.507 105 1HB ASN 45 2HB ASN 45 -2.663 12.537 8.259 106 2HB ASN 45 3HB ASN 45 -2.633 14.105 7.448 107 1HD2 ASN 45 1HD2 ASN 45 -4.584 11.426 8.068 108 2HD2 ASN 45 2HD2 ASN 45 -5.749 11.700 6.784 109 H GLY 46 H GLY 46 0.271 14.255 5.798 110 1HA GLY 46 1HA GLY 46 2.082 15.302 6.802 111 2HA GLY 46 2HA GLY 46 1.587 14.649 8.369 112 H LYS 47 H LYS 47 1.937 12.320 8.615 113 HA LYS 47 HA LYS 47 4.349 11.303 8.877 114 1HB LYS 47 2HB LYS 47 1.794 9.906 8.123 115 2HB LYS 47 3HB LYS 47 3.270 9.016 8.536 116 1HG LYS 47 2HG LYS 47 2.941 10.918 10.629 117 2HG LYS 47 3HG LYS 47 1.322 10.353 10.273 118 1HD LYS 47 2HD LYS 47 2.123 7.975 10.451 119 2HD LYS 47 3HD LYS 47 3.733 8.553 10.857 120 1HE LYS 47 2HE LYS 47 2.715 9.732 12.870 121 2HE LYS 47 3HE LYS 47 1.180 8.956 12.487 122 1HZ LYS 47 1HZ LYS 47 3.679 7.456 13.062 123 2HZ LYS 47 2HZ LYS 47 2.480 7.753 14.155 124 3HZ LYS 47 3HZ LYS 47 2.172 6.824 12.919 125 H THR 48 H THR 48 2.702 9.650 6.152 126 HA THR 48 HA THR 48 5.261 9.435 4.713 127 HB THR 48 HB THR 48 2.399 8.662 4.125 128 HG1 THR 48 1HG THR 48 3.729 7.565 5.731 129 1HG2 THR 48 1HG2 THR 48 3.451 7.202 2.313 130 2HG2 THR 48 2HG2 THR 48 3.145 8.907 1.981 131 3HG2 THR 48 3HG2 THR 48 4.800 8.369 2.336 132 H ASP 49 H ASP 49 2.190 11.073 4.195 133 HA ASP 49 HA ASP 49 2.218 12.359 1.939 134 1HB ASP 49 2HB ASP 49 0.681 12.513 4.011 135 2HB ASP 49 3HB ASP 49 1.780 13.776 4.579 136 H THR 50 H THR 50 3.956 13.627 4.756 137 HA THR 50 HA THR 50 5.585 15.520 3.123 138 HB THR 50 HB THR 50 4.140 15.931 5.780 139 HG1 THR 50 1HG THR 50 2.962 16.077 3.738 140 1HG2 THR 50 1HG2 THR 50 6.005 17.835 4.337 141 2HG2 THR 50 2HG2 THR 50 4.808 18.325 5.561 142 3HG2 THR 50 3HG2 THR 50 6.118 17.253 6.022 143 H GLY 51 H GLY 51 5.895 12.652 4.398 144 1HA GLY 51 1HA GLY 51 7.494 11.462 5.555 145 2HA GLY 51 2HA GLY 51 8.554 12.732 4.991 146 H VAL 52 H VAL 52 5.901 13.139 7.602 147 HA VAL 52 HA VAL 52 8.125 14.617 8.940 148 HB VAL 52 HB VAL 52 6.589 15.541 10.450 149 1HG1 VAL 52 1HG1 VAL 52 5.290 16.841 8.847 150 2HG1 VAL 52 2HG1 VAL 52 6.905 16.513 8.195 151 3HG1 VAL 52 3HG1 VAL 52 5.505 15.583 7.616 152 1HG2 VAL 52 1HG2 VAL 52 4.562 13.700 9.201 153 2HG2 VAL 52 2HG2 VAL 52 4.957 13.857 10.922 154 3HG2 VAL 52 3HG2 VAL 52 4.106 15.170 10.074 155 H LYS 53 H LYS 53 6.099 11.853 9.762 156 HA LYS 53 HA LYS 53 7.738 11.251 12.150 157 1HB LYS 53 2HB LYS 53 5.061 10.446 11.113 158 2HB LYS 53 3HB LYS 53 5.868 9.369 12.251 159 1HG LYS 53 2HG LYS 53 5.640 12.355 12.830 160 2HG LYS 53 3HG LYS 53 4.256 11.307 13.080 161 1HD LYS 53 2HD LYS 53 5.837 9.768 14.450 162 2HD LYS 53 3HD LYS 53 6.993 11.110 14.414 163 1HE LYS 53 2HE LYS 53 5.336 12.575 15.536 164 2HE LYS 53 3HE LYS 53 4.117 11.295 15.434 165 1HZ LYS 53 1HZ LYS 53 5.099 11.380 17.608 166 2HZ LYS 53 2HZ LYS 53 5.495 9.955 16.898 167 3HZ LYS 53 3HZ LYS 53 6.611 11.159 17.005 168 HA PRO 54 HA PRO 54 8.825 7.343 9.702 169 1HB PRO 54 2HB PRO 54 7.873 6.768 7.241 170 2HB PRO 54 3HB PRO 54 6.830 6.537 8.674 171 1HG PRO 54 2HG PRO 54 6.907 8.922 6.802 172 2HG PRO 54 3HG PRO 54 5.474 7.991 7.322 173 1HD PRO 54 2HD PRO 54 6.387 10.313 8.528 174 2HD PRO 54 3HD PRO 54 5.467 9.051 9.422 175 H GLU 55 H GLU 55 10.157 6.966 7.542 176 HA GLU 55 HA GLU 55 11.321 9.492 6.518 177 1HB GLU 55 2HB GLU 55 13.546 8.123 6.867 178 2HB GLU 55 3HB GLU 55 12.852 9.041 8.213 179 1HG GLU 55 2HG GLU 55 11.882 7.049 9.204 180 2HG GLU 55 3HG GLU 55 12.330 6.100 7.766 181 H ALA 56 H ALA 56 11.533 9.382 4.346 182 HA ALA 56 HA ALA 56 10.543 7.187 2.868 183 1HB ALA 56 1HB ALA 56 11.515 8.392 0.912 184 2HB ALA 56 2HB ALA 56 10.539 9.408 1.986 185 3HB ALA 56 3HB ALA 56 12.312 9.518 2.035 186 H GLY 57 H GLY 57 11.543 5.294 2.283 187 1HA GLY 57 1HA GLY 57 13.522 4.135 1.471 188 2HA GLY 57 2HA GLY 57 14.516 5.014 2.630 189 H GLN 58 H GLN 58 11.845 4.419 4.464 190 HA GLN 58 HA GLN 58 13.067 1.995 5.643 191 1HB GLN 58 2HB GLN 58 11.020 4.010 6.544 192 2HB GLN 58 3HB GLN 58 10.860 2.355 7.135 193 1HG GLN 58 2HG GLN 58 13.265 2.393 7.861 194 2HG GLN 58 3HG GLN 58 13.296 4.121 7.523 195 1HE2 GLN 58 1HE2 GLN 58 10.703 4.857 8.491 196 2HE2 GLN 58 2HE2 GLN 58 10.642 4.518 10.215 197 H ARG 59 H ARG 59 12.043 0.036 5.824 198 HA ARG 59 HA ARG 59 9.819 -0.457 3.967 199 1HB ARG 59 2HB ARG 59 11.619 -2.346 5.556 200 2HB ARG 59 3HB ARG 59 10.097 -2.845 4.827 201 1HG ARG 59 2HG ARG 59 11.183 -1.770 2.619 202 2HG ARG 59 3HG ARG 59 12.685 -2.188 3.472 203 1HD ARG 59 2HD ARG 59 11.713 -4.515 3.827 204 2HD ARG 59 3HD ARG 59 10.289 -3.987 2.889 205 HE ARG 59 HE ARG 59 12.799 -3.688 1.448 206 1HH1 ARG 59 2HH2 ARG 59 10.249 -5.975 2.350 207 2HH1 ARG 59 1HH2 ARG 59 10.375 -6.975 0.958 208 1HH2 ARG 59 1HH1 ARG 59 13.184 -5.148 -0.356 209 2HH2 ARG 59 2HH1 ARG 59 12.181 -6.559 -0.535 210 H ILE 60 H ILE 60 7.824 -1.061 4.618 211 HA ILE 60 HA ILE 60 7.215 -1.737 7.375 212 HB ILE 60 HB ILE 60 5.316 -0.065 7.456 213 1HG1 ILE 60 2HG1 ILE 60 6.932 1.510 5.405 214 2HG1 ILE 60 3HG1 ILE 60 5.516 0.541 4.972 215 1HG2 ILE 60 1HG2 ILE 60 8.045 1.270 7.565 216 2HG2 ILE 60 2HG2 ILE 60 6.590 1.679 8.488 217 3HG2 ILE 60 3HG2 ILE 60 7.422 0.155 8.801 218 1HD1 ILE 60 1HD1 ILE 60 4.814 2.821 5.268 219 2HD1 ILE 60 2HD1 ILE 60 4.136 1.830 6.572 220 3HD1 ILE 60 3HD1 ILE 60 5.519 2.904 6.890 221 H ARG 61 H ARG 61 4.722 -2.307 7.423 222 HA ARG 61 HA ARG 61 3.948 -3.392 4.757 223 1HB ARG 61 2HB ARG 61 2.959 -4.526 7.341 224 2HB ARG 61 3HB ARG 61 3.049 -5.266 5.770 225 1HG ARG 61 2HG ARG 61 5.624 -5.168 6.105 226 2HG ARG 61 3HG ARG 61 5.308 -4.594 7.723 227 1HD ARG 61 2HD ARG 61 3.793 -6.692 8.000 228 2HD ARG 61 3HD ARG 61 4.720 -7.329 6.633 229 HE ARG 61 HE ARG 61 6.580 -6.297 8.435 230 1HH1 ARG 61 2HH2 ARG 61 4.470 -9.030 7.994 231 2HH1 ARG 61 1HH2 ARG 61 5.187 -10.035 9.222 232 1HH2 ARG 61 1HH1 ARG 61 7.323 -7.377 10.331 233 2HH2 ARG 61 2HH1 ARG 61 6.895 -9.047 10.629 234 H VAL 62 H VAL 62 2.365 -2.119 3.944 235 HA VAL 62 HA VAL 62 0.714 -0.473 5.806 236 HB VAL 62 HB VAL 62 1.445 0.733 3.919 237 1HG1 VAL 62 1HG1 VAL 62 0.824 0.196 1.599 238 2HG1 VAL 62 2HG1 VAL 62 1.905 -1.028 2.263 239 3HG1 VAL 62 3HG1 VAL 62 0.151 -1.349 2.135 240 1HG2 VAL 62 1HG2 VAL 62 -0.675 1.504 3.032 241 2HG2 VAL 62 2HG2 VAL 62 -1.482 -0.007 3.475 242 3HG2 VAL 62 3HG2 VAL 62 -0.882 1.082 4.746 243 H GLY 63 H GLY 63 -1.249 -1.223 6.544 244 1HA GLY 63 1HA GLY 63 -2.512 -3.548 5.099 245 2HA GLY 63 2HA GLY 63 -2.233 -3.526 6.839 246 H GLY 64 H GLY 64 -4.489 -2.944 4.414 247 1HA GLY 64 1HA GLY 64 -6.330 -1.510 6.151 248 2HA GLY 64 2HA GLY 64 -5.713 -0.520 4.813 249 H MET 65 H MET 65 -8.100 -0.596 4.272 250 HA MET 65 HA MET 65 -8.989 -3.162 3.039 251 1HB MET 65 2HB MET 65 -11.248 -2.504 3.316 252 2HB MET 65 3HB MET 65 -10.380 -2.534 4.843 253 1HG MET 65 2HG MET 65 -10.058 0.095 4.139 254 2HG MET 65 3HG MET 65 -11.565 -0.252 3.326 255 1HE MET 65 1HE MET 65 -9.629 -0.630 6.680 256 2HE MET 65 2HE MET 65 -10.908 -0.527 7.906 257 3HE MET 65 3HE MET 65 -10.735 -1.992 6.934 258 H VAL 66 H VAL 66 -9.224 -3.316 0.936 259 HA VAL 66 HA VAL 66 -8.625 -0.845 -0.642 260 HB VAL 66 HB VAL 66 -8.390 -2.309 -2.555 261 1HG1 VAL 66 1HG1 VAL 66 -6.678 -3.054 -0.140 262 2HG1 VAL 66 2HG1 VAL 66 -6.198 -3.212 -1.836 263 3HG1 VAL 66 3HG1 VAL 66 -6.511 -1.620 -1.185 264 1HG2 VAL 66 1HG2 VAL 66 -9.869 -4.219 -1.496 265 2HG2 VAL 66 2HG2 VAL 66 -8.517 -4.610 -2.550 266 3HG2 VAL 66 3HG2 VAL 66 -8.324 -4.760 -0.801 267 H THR 67 H THR 67 -9.947 -0.359 -2.537 268 HA THR 67 HA THR 67 -12.805 -0.632 -1.906 269 HB THR 67 HB THR 67 -11.440 1.449 -2.847 270 HG1 THR 67 1HG THR 67 -13.453 2.225 -3.386 271 1HG2 THR 67 1HG2 THR 67 -10.862 0.291 -5.024 272 2HG2 THR 67 2HG2 THR 67 -12.579 0.476 -5.464 273 3HG2 THR 67 3HG2 THR 67 -11.636 1.900 -5.093 274 H VAL 68 H VAL 68 -13.951 -0.717 -4.323 275 HA VAL 68 HA VAL 68 -13.310 -3.346 -5.529 276 HB VAL 68 HB VAL 68 -15.147 -3.765 -4.110 277 1HG1 VAL 68 1HG1 VAL 68 -16.547 -1.382 -5.388 278 2HG1 VAL 68 2HG1 VAL 68 -17.319 -2.587 -4.340 279 3HG1 VAL 68 3HG1 VAL 68 -16.030 -1.548 -3.704 280 1HG2 VAL 68 1HG2 VAL 68 -16.646 -4.687 -5.712 281 2HG2 VAL 68 2HG2 VAL 68 -16.220 -3.473 -6.936 282 3HG2 VAL 68 3HG2 VAL 68 -15.020 -4.681 -6.439 283 H GLY 69 H GLY 69 -12.039 -1.967 -6.714 284 1HA GLY 69 1HA GLY 69 -12.121 -1.442 -9.153 285 2HA GLY 69 2HA GLY 69 -13.354 -0.228 -8.784 286 H SER 70 H SER 70 -10.067 -1.148 -7.549 287 HA SER 70 HA SER 70 -9.067 1.413 -8.642 288 1HB SER 70 2HB SER 70 -8.728 0.744 -5.692 289 2HB SER 70 3HB SER 70 -7.750 1.927 -6.580 290 HG SER 70 HG SER 70 -10.445 2.198 -6.960 291 H MET 71 H MET 71 -8.568 -0.605 -10.001 292 HA MET 71 HA MET 71 -5.773 -1.370 -9.337 293 1HB MET 71 2HB MET 71 -8.038 -3.099 -9.494 294 2HB MET 71 3HB MET 71 -7.255 -3.301 -11.048 295 1HG MET 71 2HG MET 71 -5.329 -3.371 -8.819 296 2HG MET 71 3HG MET 71 -6.640 -4.535 -8.622 297 1HE MET 71 1HE MET 71 -3.678 -4.519 -12.123 298 2HE MET 71 2HE MET 71 -4.965 -3.303 -12.000 299 3HE MET 71 3HE MET 71 -3.648 -3.328 -10.795 300 H VAL 72 H VAL 72 -4.486 -0.300 -10.775 301 HA VAL 72 HA VAL 72 -5.386 -0.394 -13.623 302 HB VAL 72 HB VAL 72 -4.476 1.738 -14.130 303 1HG1 VAL 72 1HG1 VAL 72 -6.395 2.010 -11.778 304 2HG1 VAL 72 2HG1 VAL 72 -6.153 3.162 -13.102 305 3HG1 VAL 72 3HG1 VAL 72 -6.861 1.574 -13.437 306 1HG2 VAL 72 1HG2 VAL 72 -2.714 2.071 -12.562 307 2HG2 VAL 72 2HG2 VAL 72 -3.876 3.378 -12.334 308 3HG2 VAL 72 3HG2 VAL 72 -3.847 2.036 -11.173 309 H ARG 73 H ARG 73 -4.007 -1.352 -14.903 310 HA ARG 73 HA ARG 73 -1.248 -1.885 -13.947 311 1HB ARG 73 2HB ARG 73 -1.174 -3.899 -15.139 312 2HB ARG 73 3HB ARG 73 -2.611 -3.984 -14.124 313 1HG ARG 73 2HG ARG 73 -2.829 -3.241 -17.060 314 2HG ARG 73 3HG ARG 73 -2.615 -4.897 -16.518 315 1HD ARG 73 2HD ARG 73 -4.602 -4.765 -15.081 316 2HD ARG 73 3HD ARG 73 -4.956 -3.140 -15.647 317 HE ARG 73 HE ARG 73 -5.365 -5.693 -16.992 318 1HH1 ARG 73 2HH2 ARG 73 -4.826 -2.264 -17.605 319 2HH1 ARG 73 1HH2 ARG 73 -5.659 -2.230 -19.127 320 1HH2 ARG 73 1HH1 ARG 73 -6.352 -5.733 -19.077 321 2HH2 ARG 73 2HH1 ARG 73 -6.497 -4.280 -20.010 322 H ASP 74 H ASP 74 0.455 -1.752 -15.482 323 HA ASP 74 HA ASP 74 -0.095 0.208 -17.626 324 1HB ASP 74 2HB ASP 74 2.411 -1.124 -16.556 325 2HB ASP 74 3HB ASP 74 2.412 -0.082 -17.984 326 HA PRO 75 HA PRO 75 0.074 -3.126 -20.671 327 1HB PRO 75 2HB PRO 75 0.423 -1.729 -23.005 328 2HB PRO 75 3HB PRO 75 -1.056 -1.505 -22.031 329 1HG PRO 75 2HG PRO 75 1.464 0.190 -21.945 330 2HG PRO 75 3HG PRO 75 -0.211 0.759 -22.201 331 1HD PRO 75 2HD PRO 75 0.961 0.764 -19.733 332 2HD PRO 75 3HD PRO 75 -0.773 0.382 -19.928 333 H ASN 76 H ASN 76 2.476 -2.409 -19.116 334 HA ASN 76 HA ASN 76 4.644 -3.239 -20.969 335 1HB ASN 76 2HB ASN 76 4.620 -2.679 -17.976 336 2HB ASN 76 3HB ASN 76 6.032 -3.044 -18.998 337 1HD2 ASN 76 1HD2 ASN 76 4.643 -0.469 -17.407 338 2HD2 ASN 76 2HD2 ASN 76 5.111 0.777 -18.511 339 H SER 77 H SER 77 2.299 -4.321 -18.570 340 HA SER 77 HA SER 77 1.694 -6.311 -17.755 341 1HB SER 77 2HB SER 77 3.667 -7.736 -19.581 342 2HB SER 77 3HB SER 77 2.252 -8.397 -18.766 343 HG SER 77 HG SER 77 2.275 -6.426 -20.812 344 H LEU 78 H LEU 78 4.354 -4.778 -17.051 345 HA LEU 78 HA LEU 78 4.919 -6.556 -14.797 346 1HB LEU 78 2HB LEU 78 7.358 -6.017 -14.957 347 2HB LEU 78 3HB LEU 78 6.668 -7.229 -16.035 348 HG LEU 78 HG LEU 78 6.620 -5.639 -17.918 349 1HD1 LEU 78 1HD1 LEU 78 6.293 -3.556 -16.705 350 2HD1 LEU 78 2HD1 LEU 78 7.867 -3.730 -15.897 351 3HD1 LEU 78 3HD1 LEU 78 7.792 -3.441 -17.650 352 1HD2 LEU 78 1HD2 LEU 78 9.023 -5.524 -18.260 353 2HD2 LEU 78 2HD2 LEU 78 9.299 -5.836 -16.522 354 3HD2 LEU 78 3HD2 LEU 78 8.534 -7.077 -17.542 355 H HIS 79 H HID 79 3.206 -4.240 -15.000 356 HA HIS 79 HA HID 79 4.322 -2.758 -12.744 357 1HB HIS 79 2HB HID 79 4.217 -1.627 -15.495 358 2HB HIS 79 3HB HID 79 3.581 -0.614 -14.189 359 HD1 HIS 79 1HD HID 79 5.518 -0.691 -11.950 360 HD2 HIS 79 2HD HID 79 6.686 -1.119 -15.970 361 HE1 HIS 79 1HE HID 79 7.996 -0.074 -12.060 362 H VAL 80 H VAL 80 2.749 -2.238 -11.348 363 HA VAL 80 HA VAL 80 -0.042 -1.985 -12.236 364 HB VAL 80 HB VAL 80 -0.357 -3.785 -10.194 365 1HG1 VAL 80 1HG1 VAL 80 -1.518 -3.789 -12.290 366 2HG1 VAL 80 2HG1 VAL 80 -0.119 -4.529 -13.116 367 3HG1 VAL 80 3HG1 VAL 80 -0.993 -5.426 -11.857 368 1HG2 VAL 80 1HG2 VAL 80 1.959 -4.940 -11.822 369 2HG2 VAL 80 2HG2 VAL 80 2.118 -4.344 -10.159 370 3HG2 VAL 80 3HG2 VAL 80 1.063 -5.717 -10.528 371 H GLN 81 H GLN 81 -1.380 -0.822 -10.779 372 HA GLN 81 HA GLN 81 -0.302 -0.409 -8.064 373 1HB GLN 81 2HB GLN 81 -0.522 2.106 -8.353 374 2HB GLN 81 3HB GLN 81 0.887 1.360 -9.131 375 1HG GLN 81 2HG GLN 81 0.051 1.542 -11.287 376 2HG GLN 81 3HG GLN 81 -1.612 1.717 -10.715 377 1HE2 GLN 81 1HE2 GLN 81 -2.405 3.756 -10.120 378 2HE2 GLN 81 2HE2 GLN 81 -1.451 5.211 -10.337 379 H PHE 82 H PHE 82 -1.773 0.628 -6.601 380 HA PHE 82 HA PHE 82 -4.595 0.746 -7.409 381 1HB PHE 82 2HB PHE 82 -5.218 -1.032 -5.806 382 2HB PHE 82 3HB PHE 82 -4.251 -1.659 -7.133 383 HD1 PHE 82 1HD PHE 82 -1.809 -2.283 -6.681 384 HD2 PHE 82 2HD PHE 82 -4.579 -1.244 -3.537 385 HE1 PHE 82 1HE PHE 82 -0.388 -3.457 -5.034 386 HE2 PHE 82 2HE PHE 82 -3.167 -2.443 -1.902 387 HZ PHE 82 HZ PHE 82 -1.101 -3.604 -2.649 388 H ALA 83 H ALA 83 -5.999 1.290 -5.507 389 HA ALA 83 HA ALA 83 -4.513 3.019 -3.571 390 1HB ALA 83 1HB ALA 83 -5.980 4.298 -5.081 391 2HB ALA 83 2HB ALA 83 -7.362 3.286 -4.598 392 3HB ALA 83 3HB ALA 83 -6.561 4.326 -3.406 393 H VAL 84 H VAL 84 -4.879 2.674 -1.429 394 HA VAL 84 HA VAL 84 -6.989 0.711 -0.643 395 HB VAL 84 HB VAL 84 -4.799 -0.431 -0.574 396 1HG1 VAL 84 1HG1 VAL 84 -3.045 0.223 0.931 397 2HG1 VAL 84 2HG1 VAL 84 -3.360 1.530 -0.225 398 3HG1 VAL 84 3HG1 VAL 84 -3.975 1.645 1.446 399 1HG2 VAL 84 1HG2 VAL 84 -5.787 0.207 2.247 400 2HG2 VAL 84 2HG2 VAL 84 -6.527 -0.980 1.157 401 3HG2 VAL 84 3HG2 VAL 84 -4.874 -1.224 1.734 402 H HIS 85 H HID 85 -8.059 1.233 1.306 403 HA HIS 85 HA HID 85 -7.454 3.892 2.460 404 1HB HIS 85 2HB HID 85 -9.778 4.483 2.502 405 2HB HIS 85 3HB HID 85 -9.272 4.168 0.852 406 HD1 HIS 85 1HD HID 85 -11.925 3.184 3.265 407 HD2 HIS 85 2HD HID 85 -10.072 1.699 -0.208 408 HE1 HIS 85 1HE HID 85 -13.546 1.503 2.225 409 H ASP 86 H ASP 86 -9.330 3.945 4.456 410 HA ASP 86 HA ASP 86 -9.369 1.376 5.773 411 1HB ASP 86 2HB ASP 86 -7.095 2.529 6.309 412 2HB ASP 86 3HB ASP 86 -8.046 3.580 7.363 413 H SER 87 H SER 87 -10.292 1.863 8.152 414 HA SER 87 HA SER 87 -12.917 3.014 7.925 415 1HB SER 87 2HB SER 87 -11.170 2.286 10.329 416 2HB SER 87 3HB SER 87 -12.900 2.681 10.400 417 HG SER 87 HG SER 87 -13.141 0.901 8.823 418 H LEU 88 H LEU 88 -9.724 4.186 8.932 419 HA LEU 88 HA LEU 88 -10.830 6.889 9.513 420 1HB LEU 88 2HB LEU 88 -8.114 5.615 9.912 421 2HB LEU 88 3HB LEU 88 -8.413 7.336 10.204 422 HG LEU 88 HG LEU 88 -9.971 5.131 11.611 423 1HD1 LEU 88 1HD1 LEU 88 -7.580 4.845 12.095 424 2HD1 LEU 88 2HD1 LEU 88 -7.437 6.566 12.512 425 3HD1 LEU 88 3HD1 LEU 88 -8.428 5.482 13.512 426 1HD2 LEU 88 1HD2 LEU 88 -11.023 7.385 11.690 427 2HD2 LEU 88 2HD2 LEU 88 -10.386 6.931 13.274 428 3HD2 LEU 88 3HD2 LEU 88 -9.492 8.082 12.262 429 H GLY 89 H GLY 89 -10.942 5.747 6.778 430 1HA GLY 89 1HA GLY 89 -10.826 6.647 4.701 431 2HA GLY 89 2HA GLY 89 -10.584 8.200 5.515 432 H GLY 90 H GLY 90 -8.342 5.419 5.638 433 1HA GLY 90 1HA GLY 90 -6.148 7.175 5.155 434 2HA GLY 90 2HA GLY 90 -6.087 5.418 5.387 435 H GLU 91 H GLU 91 -7.383 7.577 2.803 436 HA GLU 91 HA GLU 91 -6.927 5.593 0.837 437 1HB GLU 91 2HB GLU 91 -8.626 7.410 0.710 438 2HB GLU 91 3HB GLU 91 -7.332 8.556 0.320 439 1HG GLU 91 2HG GLU 91 -6.739 7.163 -1.670 440 2HG GLU 91 3HG GLU 91 -8.043 6.033 -1.261 441 H ILE 92 H ILE 92 -4.782 4.895 0.712 442 HA ILE 92 HA ILE 92 -2.741 6.894 -0.177 443 HB ILE 92 HB ILE 92 -2.600 5.803 2.207 444 1HG1 ILE 92 2HG1 ILE 92 -0.924 7.315 1.533 445 2HG1 ILE 92 3HG1 ILE 92 -0.164 5.880 2.203 446 1HG2 ILE 92 1HG2 ILE 92 -1.262 3.797 2.348 447 2HG2 ILE 92 2HG2 ILE 92 -2.826 3.511 1.575 448 3HG2 ILE 92 3HG2 ILE 92 -1.343 3.560 0.595 449 1HD1 ILE 92 1HD1 ILE 92 -0.186 6.900 -0.628 450 2HD1 ILE 92 2HD1 ILE 92 1.164 6.354 0.372 451 3HD1 ILE 92 3HD1 ILE 92 0.068 5.160 -0.341 452 H LEU 93 H LEU 93 -1.534 6.315 -1.940 453 HA LEU 93 HA LEU 93 -2.582 4.112 -3.585 454 1HB LEU 93 2HB LEU 93 -1.128 6.689 -4.031 455 2HB LEU 93 3HB LEU 93 -0.703 5.388 -5.144 456 HG LEU 93 HG LEU 93 -3.611 6.041 -4.625 457 1HD1 LEU 93 1HD1 LEU 93 -1.761 7.374 -6.655 458 2HD1 LEU 93 2HD1 LEU 93 -3.533 7.511 -6.631 459 3HD1 LEU 93 3HD1 LEU 93 -2.578 8.166 -5.289 460 1HD2 LEU 93 1HD2 LEU 93 -3.939 4.961 -6.759 461 2HD2 LEU 93 2HD2 LEU 93 -2.204 5.011 -7.138 462 3HD2 LEU 93 3HD2 LEU 93 -2.802 3.931 -5.878 463 H VAL 94 H VAL 94 -1.564 2.252 -3.841 464 HA VAL 94 HA VAL 94 1.228 1.916 -2.861 465 HB VAL 94 HB VAL 94 -1.084 -0.046 -3.129 466 1HG1 VAL 94 1HG1 VAL 94 1.807 -0.411 -2.248 467 2HG1 VAL 94 2HG1 VAL 94 0.522 -1.616 -1.990 468 3HG1 VAL 94 3HG1 VAL 94 1.023 -1.199 -3.636 469 1HG2 VAL 94 1HG2 VAL 94 -1.243 1.491 -1.166 470 2HG2 VAL 94 2HG2 VAL 94 -0.899 -0.171 -0.666 471 3HG2 VAL 94 3HG2 VAL 94 0.403 1.039 -0.688 472 H THR 95 H THR 95 2.685 1.786 -4.484 473 HA THR 95 HA THR 95 1.775 0.942 -7.191 474 HB THR 95 HB THR 95 3.935 1.890 -7.939 475 HG1 THR 95 1HG THR 95 4.973 1.628 -5.847 476 1HG2 THR 95 1HG2 THR 95 1.870 3.321 -7.855 477 2HG2 THR 95 2HG2 THR 95 2.339 3.852 -6.224 478 3HG2 THR 95 3HG2 THR 95 3.368 4.243 -7.616 479 H TYR 96 H TYR 96 2.710 -0.798 -8.263 480 HA TYR 96 HA TYR 96 4.477 -2.605 -6.723 481 1HB TYR 96 2HB TYR 96 1.957 -2.953 -6.459 482 2HB TYR 96 3HB TYR 96 1.897 -3.375 -8.155 483 HD1 TYR 96 HD1 TYR 96 1.655 -4.778 -5.091 484 HD2 TYR 96 HD2 TYR 96 3.962 -5.262 -8.680 485 HE1 TYR 96 HE1 TYR 96 1.931 -7.192 -4.634 486 HE2 TYR 96 HE2 TYR 96 4.361 -7.631 -8.116 487 HH TYR 96 HH TYR 96 3.688 -8.976 -5.250 488 H ASP 97 H ASP 97 5.812 -3.887 -8.113 489 HA ASP 97 HA ASP 97 6.087 -2.906 -10.882 490 1HB ASP 97 2HB ASP 97 8.177 -4.371 -10.703 491 2HB ASP 97 3HB ASP 97 8.134 -2.875 -9.772 492 H ASP 98 H ASP 98 6.502 -6.155 -9.449 493 HA ASP 98 HA ASP 98 5.955 -7.286 -12.002 494 1HB ASP 98 2HB ASP 98 7.208 -8.269 -9.835 495 2HB ASP 98 3HB ASP 98 5.644 -9.053 -9.589 496 H LEU 99 H LEU 99 4.238 -9.104 -12.356 497 HA LEU 99 HA LEU 99 1.663 -7.845 -12.016 498 1HB LEU 99 2HB LEU 99 2.695 -10.198 -13.390 499 2HB LEU 99 3HB LEU 99 1.160 -10.558 -12.598 500 HG LEU 99 HG LEU 99 0.054 -8.755 -13.662 501 1HD1 LEU 99 1HD1 LEU 99 2.771 -7.824 -14.476 502 2HD1 LEU 99 2HD1 LEU 99 1.389 -7.469 -15.550 503 3HD1 LEU 99 3HD1 LEU 99 1.395 -6.872 -13.900 504 1HD2 LEU 99 1HD2 LEU 99 1.786 -10.193 -15.721 505 2HD2 LEU 99 2HD2 LEU 99 0.327 -10.864 -14.957 506 3HD2 LEU 99 3HD2 LEU 99 0.198 -9.459 -16.032 507 H LEU 100 H LEU 100 0.160 -7.964 -10.650 508 HA LEU 100 HA LEU 100 0.643 -8.760 -7.993 509 1HB LEU 100 2HB LEU 100 -1.834 -8.022 -9.646 510 2HB LEU 100 3HB LEU 100 -2.051 -8.453 -7.962 511 HG LEU 100 HG LEU 100 -0.121 -6.248 -8.770 512 1HD1 LEU 100 1HD1 LEU 100 -2.285 -5.615 -9.682 513 2HD1 LEU 100 2HD1 LEU 100 -3.100 -6.093 -8.184 514 3HD1 LEU 100 3HD1 LEU 100 -2.006 -4.685 -8.198 515 1HD2 LEU 100 1HD2 LEU 100 -0.542 -5.533 -6.434 516 2HD2 LEU 100 2HD2 LEU 100 -1.598 -6.942 -6.199 517 3HD2 LEU 100 3HD2 LEU 100 0.104 -7.184 -6.524 518 HA PRO 101 HA PRO 101 -0.676 -13.041 -8.069 519 1HB PRO 101 2HB PRO 101 -1.861 -13.422 -5.611 520 2HB PRO 101 3HB PRO 101 -0.118 -13.168 -5.856 521 1HG PRO 101 2HG PRO 101 -2.147 -11.066 -5.042 522 2HG PRO 101 3HG PRO 101 -0.558 -11.384 -4.325 523 1HD PRO 101 2HD PRO 101 -0.954 -9.434 -6.177 524 2HD PRO 101 3HD PRO 101 0.566 -10.370 -6.143 525 H ASP 102 H ASP 102 -3.450 -11.936 -6.155 526 HA ASP 102 HA ASP 102 -5.327 -12.741 -8.353 527 1HB ASP 102 2HB ASP 102 -5.487 -13.024 -5.326 528 2HB ASP 102 3HB ASP 102 -6.773 -13.472 -6.470 529 H LEU 103 H LEU 103 -4.588 -10.192 -8.493 530 HA LEU 103 HA LEU 103 -4.929 -7.977 -7.986 531 1HB LEU 103 2HB LEU 103 -7.100 -7.180 -8.676 532 2HB LEU 103 3HB LEU 103 -6.461 -8.366 -9.802 533 HG LEU 103 HG LEU 103 -8.319 -9.394 -7.661 534 1HD1 LEU 103 1HD1 LEU 103 -10.302 -8.749 -8.989 535 2HD1 LEU 103 2HD1 LEU 103 -9.473 -7.364 -8.265 536 3HD1 LEU 103 3HD1 LEU 103 -9.273 -7.708 -9.997 537 1HD2 LEU 103 1HD2 LEU 103 -9.039 -10.890 -9.394 538 2HD2 LEU 103 2HD2 LEU 103 -8.268 -9.913 -10.661 539 3HD2 LEU 103 3HD2 LEU 103 -7.275 -10.832 -9.520 540 H PHE 104 H PHE 104 -4.649 -9.256 -5.619 541 HA PHE 104 HA PHE 104 -5.218 -9.330 -3.390 542 1HB PHE 104 2HB PHE 104 -4.901 -7.081 -2.419 543 2HB PHE 104 3HB PHE 104 -3.684 -7.526 -3.594 544 HD1 PHE 104 1HD PHE 104 -6.386 -5.202 -2.787 545 HD2 PHE 104 2HD PHE 104 -3.593 -6.376 -5.811 546 HE1 PHE 104 1HE PHE 104 -7.198 -3.369 -4.253 547 HE2 PHE 104 2HE PHE 104 -4.214 -4.386 -7.150 548 HZ PHE 104 HZ PHE 104 -6.226 -3.050 -6.476 549 H ARG 105 H ARG 105 -7.343 -10.263 -3.616 550 HA ARG 105 HA ARG 105 -8.867 -9.357 -5.353 551 1HB ARG 105 2HB ARG 105 -10.116 -10.796 -2.945 552 2HB ARG 105 3HB ARG 105 -10.854 -10.606 -4.528 553 1HG ARG 105 2HG ARG 105 -10.123 -12.755 -4.610 554 2HG ARG 105 3HG ARG 105 -8.873 -11.895 -5.487 555 1HD ARG 105 2HD ARG 105 -7.381 -12.860 -4.142 556 2HD ARG 105 3HD ARG 105 -7.993 -11.927 -2.754 557 HE ARG 105 HE ARG 105 -9.751 -13.933 -2.762 558 1HH1 ARG 105 2HH2 ARG 105 -6.218 -13.999 -2.974 559 2HH1 ARG 105 1HH2 ARG 105 -6.023 -15.370 -1.939 560 1HH2 ARG 105 1HH1 ARG 105 -9.528 -15.765 -1.391 561 2HH2 ARG 105 2HH1 ARG 105 -7.962 -16.440 -1.071 562 H GLU 106 H GLU 106 -10.104 -7.596 -5.737 563 HA GLU 106 HA GLU 106 -10.037 -5.680 -3.794 564 1HB GLU 106 2HB GLU 106 -11.473 -5.743 -6.492 565 2HB GLU 106 3HB GLU 106 -11.451 -4.348 -5.447 566 1HG GLU 106 2HG GLU 106 -8.750 -4.953 -5.568 567 2HG GLU 106 3HG GLU 106 -9.321 -5.279 -7.202 568 H GLY 107 H GLY 107 -11.570 -4.433 -2.727 569 1HA GLY 107 1HA GLY 107 -13.494 -4.044 -1.545 570 2HA GLY 107 2HA GLY 107 -14.246 -5.503 -2.194 571 H GLN 108 H GLN 108 -11.014 -5.780 -0.670 572 HA GLN 108 HA GLN 108 -12.227 -6.637 1.892 573 1HB GLN 108 2HB GLN 108 -11.187 -8.718 1.893 574 2HB GLN 108 3HB GLN 108 -11.861 -8.556 0.262 575 1HG GLN 108 2HG GLN 108 -9.516 -7.864 -0.518 576 2HG GLN 108 3HG GLN 108 -8.946 -8.111 1.118 577 1HE2 GLN 108 1HE2 GLN 108 -11.340 -10.438 0.010 578 2HE2 GLN 108 2HE2 GLN 108 -10.163 -11.731 0.134 579 H GLY 109 H GLY 109 -10.234 -7.255 3.402 580 1HA GLY 109 1HA GLY 109 -8.288 -5.018 3.254 581 2HA GLY 109 2HA GLY 109 -8.655 -5.939 4.678 582 H ILE 110 H ILE 110 -6.252 -5.244 2.769 583 HA ILE 110 HA ILE 110 -4.997 -7.939 2.715 584 HB ILE 110 HB ILE 110 -4.089 -7.699 0.589 585 1HG1 ILE 110 2HG1 ILE 110 -5.308 -5.550 -0.735 586 2HG1 ILE 110 3HG1 ILE 110 -4.784 -4.841 0.783 587 1HG2 ILE 110 1HG2 ILE 110 -7.009 -6.961 0.229 588 2HG2 ILE 110 2HG2 ILE 110 -6.010 -8.024 -0.777 589 3HG2 ILE 110 3HG2 ILE 110 -6.453 -8.532 0.848 590 1HD1 ILE 110 1HD1 ILE 110 -2.481 -5.728 0.382 591 2HD1 ILE 110 2HD1 ILE 110 -3.025 -6.469 -1.134 592 3HD1 ILE 110 3HD1 ILE 110 -3.023 -4.705 -0.958 593 H VAL 111 H VAL 111 -2.637 -7.749 2.672 594 HA VAL 111 HA VAL 111 -1.690 -5.192 3.910 595 HB VAL 111 HB VAL 111 0.062 -6.680 4.989 596 1HG1 VAL 111 1HG1 VAL 111 -1.649 -5.647 6.331 597 2HG1 VAL 111 2HG1 VAL 111 -2.850 -6.867 5.867 598 3HG1 VAL 111 3HG1 VAL 111 -1.459 -7.317 6.881 599 1HG2 VAL 111 1HG2 VAL 111 -0.474 -8.718 3.627 600 2HG2 VAL 111 2HG2 VAL 111 -0.448 -9.023 5.371 601 3HG2 VAL 111 3HG2 VAL 111 -1.993 -8.893 4.521 602 H ALA 112 H ALA 112 0.133 -4.325 3.030 603 HA ALA 112 HA ALA 112 1.390 -5.766 0.740 604 1HB ALA 112 1HB ALA 112 1.330 -3.856 -0.625 605 2HB ALA 112 2HB ALA 112 -0.319 -4.040 0.005 606 3HB ALA 112 3HB ALA 112 0.767 -2.814 0.681 607 H GLN 113 H GLN 113 3.468 -5.966 0.974 608 HA GLN 113 HA GLN 113 4.948 -4.351 2.989 609 1HB GLN 113 2HB GLN 113 4.891 -7.146 1.994 610 2HB GLN 113 3HB GLN 113 6.521 -6.516 2.347 611 1HG GLN 113 2HG GLN 113 6.110 -6.571 4.575 612 2HG GLN 113 3HG GLN 113 4.364 -6.232 4.363 613 1HE2 GLN 113 1HE2 GLN 113 6.474 -8.882 2.968 614 2HE2 GLN 113 2HE2 GLN 113 5.457 -10.151 3.631 615 H GLY 114 H GLY 114 6.659 -3.145 2.421 616 1HA GLY 114 1HA GLY 114 8.592 -3.626 0.573 617 2HA GLY 114 2HA GLY 114 7.431 -2.672 -0.341 618 H VAL 115 H VAL 115 8.323 -0.608 -0.369 619 HA VAL 115 HA VAL 115 9.425 0.490 2.160 620 HB VAL 115 HB VAL 115 11.256 -0.368 0.735 621 1HG1 VAL 115 1HG1 VAL 115 11.834 0.692 -1.377 622 2HG1 VAL 115 2HG1 VAL 115 10.183 0.066 -1.513 623 3HG1 VAL 115 3HG1 VAL 115 10.461 1.804 -1.257 624 1HG2 VAL 115 1HG2 VAL 115 11.295 2.619 1.125 625 2HG2 VAL 115 2HG2 VAL 115 11.849 1.324 2.216 626 3HG2 VAL 115 3HG2 VAL 115 12.681 1.606 0.696 627 H LEU 116 H LEU 116 9.320 2.704 2.403 628 HA LEU 116 HA LEU 116 7.134 4.040 1.131 629 1HB LEU 116 2HB LEU 116 9.599 4.977 2.646 630 2HB LEU 116 3HB LEU 116 8.619 6.178 1.802 631 HG LEU 116 HG LEU 116 8.086 6.000 4.188 632 1HD1 LEU 116 1HD1 LEU 116 5.616 5.856 3.901 633 2HD1 LEU 116 2HD1 LEU 116 6.443 6.904 2.727 634 3HD1 LEU 116 3HD1 LEU 116 5.846 5.314 2.238 635 1HD2 LEU 116 1HD2 LEU 116 8.432 3.585 4.512 636 2HD2 LEU 116 2HD2 LEU 116 6.858 4.134 5.096 637 3HD2 LEU 116 3HD2 LEU 116 6.964 3.240 3.565 638 H GLY 117 H GLY 117 6.877 5.363 -0.581 639 1HA GLY 117 1HA GLY 117 8.872 5.105 -2.757 640 2HA GLY 117 2HA GLY 117 7.192 5.688 -2.831 641 H GLU 118 H GLU 118 7.668 7.588 -3.837 642 HA GLU 118 HA GLU 118 9.523 9.544 -2.692 643 1HB GLU 118 2HB GLU 118 8.712 9.306 -5.207 644 2HB GLU 118 3HB GLU 118 7.320 10.245 -4.644 645 1HG GLU 118 2HG GLU 118 9.025 11.933 -3.710 646 2HG GLU 118 3HG GLU 118 10.263 11.021 -4.591 647 H ASP 119 H ASP 119 8.988 10.254 -0.743 648 HA ASP 119 HA ASP 119 7.448 10.235 1.082 649 1HB ASP 119 2HB ASP 119 8.258 12.920 -0.104 650 2HB ASP 119 3HB ASP 119 7.756 12.672 1.576 651 H GLY 120 H GLY 120 5.622 9.392 0.063 652 1HA GLY 120 1HA GLY 120 3.150 10.665 0.597 653 2HA GLY 120 2HA GLY 120 3.576 11.124 -1.054 654 H LYS 121 H LYS 121 4.849 8.799 -1.958 655 HA LYS 121 HA LYS 121 2.498 6.952 -2.166 656 1HB LYS 121 2HB LYS 121 4.454 7.928 -4.106 657 2HB LYS 121 3HB LYS 121 4.589 6.200 -3.960 658 1HG LYS 121 2HG LYS 121 2.960 6.591 -5.654 659 2HG LYS 121 3HG LYS 121 2.172 5.909 -4.231 660 1HD LYS 121 2HD LYS 121 0.762 7.564 -5.181 661 2HD LYS 121 3HD LYS 121 1.276 8.166 -3.617 662 1HE LYS 121 2HE LYS 121 2.471 9.013 -6.322 663 2HE LYS 121 3HE LYS 121 1.130 9.829 -5.515 664 1HZ LYS 121 1HZ LYS 121 3.892 9.684 -4.529 665 2HZ LYS 121 2HZ LYS 121 3.052 11.003 -4.996 666 3HZ LYS 121 3HZ LYS 121 2.632 10.213 -3.621 667 H LEU 122 H LEU 122 2.938 4.604 -2.337 668 HA LEU 122 HA LEU 122 5.134 3.720 -0.518 669 1HB LEU 122 2HB LEU 122 2.215 3.006 -0.634 670 2HB LEU 122 3HB LEU 122 3.400 1.858 0.000 671 HG LEU 122 HG LEU 122 3.441 4.714 1.019 672 1HD1 LEU 122 1HD1 LEU 122 1.874 4.138 2.761 673 2HD1 LEU 122 2HD1 LEU 122 1.131 3.924 1.158 674 3HD1 LEU 122 3HD1 LEU 122 1.665 2.500 2.073 675 1HD2 LEU 122 1HD2 LEU 122 5.264 3.044 1.584 676 2HD2 LEU 122 2HD2 LEU 122 4.372 3.632 3.003 677 3HD2 LEU 122 3HD2 LEU 122 4.041 2.017 2.339 678 H ALA 123 H ALA 123 6.418 2.146 -1.435 679 HA ALA 123 HA ALA 123 5.504 0.956 -4.035 680 1HB ALA 123 1HB ALA 123 7.551 2.249 -4.232 681 2HB ALA 123 2HB ALA 123 8.292 1.337 -2.899 682 3HB ALA 123 3HB ALA 123 7.882 0.515 -4.422 683 H ALA 124 H ALA 124 4.499 -0.972 -3.597 684 HA ALA 124 HA ALA 124 5.814 -2.803 -1.646 685 1HB ALA 124 1HB ALA 124 3.717 -3.415 -0.664 686 2HB ALA 124 2HB ALA 124 3.916 -1.658 -0.496 687 3HB ALA 124 3HB ALA 124 2.837 -2.333 -1.744 688 H THR 125 H THR 125 6.180 -4.712 -2.445 689 HA THR 125 HA THR 125 4.640 -5.638 -4.826 690 HB THR 125 HB THR 125 6.896 -5.080 -5.433 691 HG1 THR 125 1HG THR 125 6.243 -6.649 -6.682 692 1HG2 THR 125 1HG2 THR 125 8.798 -6.395 -4.634 693 2HG2 THR 125 2HG2 THR 125 8.083 -5.473 -3.304 694 3HG2 THR 125 3HG2 THR 125 7.775 -7.221 -3.444 695 H GLU 126 H GLU 126 5.635 -6.385 -1.520 696 HA GLU 126 HA GLU 126 4.855 -9.245 -1.786 697 1HB GLU 126 2HB GLU 126 5.951 -7.412 0.298 698 2HB GLU 126 3HB GLU 126 5.381 -9.047 0.742 699 1HG GLU 126 2HG GLU 126 7.206 -9.997 -0.513 700 2HG GLU 126 3HG GLU 126 7.557 -8.449 -1.304 701 H VAL 127 H VAL 127 2.576 -8.613 -2.546 702 HA VAL 127 HA VAL 127 0.870 -7.542 -0.352 703 HB VAL 127 HB VAL 127 -0.986 -7.532 -1.814 704 1HG1 VAL 127 1HG1 VAL 127 -0.116 -5.804 -3.470 705 2HG1 VAL 127 2HG1 VAL 127 0.182 -5.532 -1.753 706 3HG1 VAL 127 3HG1 VAL 127 1.502 -6.088 -2.780 707 1HG2 VAL 127 1HG2 VAL 127 -0.807 -9.308 -3.280 708 2HG2 VAL 127 2HG2 VAL 127 -0.569 -7.909 -4.318 709 3HG2 VAL 127 3HG2 VAL 127 0.827 -8.895 -3.820 710 H LEU 128 H LEU 128 -0.374 -8.757 0.930 711 HA LEU 128 HA LEU 128 -0.768 -11.627 0.236 712 1HB LEU 128 2HB LEU 128 -0.478 -10.853 3.114 713 2HB LEU 128 3HB LEU 128 -0.279 -12.388 2.312 714 HG LEU 128 HG LEU 128 1.790 -11.829 3.120 715 1HD1 LEU 128 1HD1 LEU 128 1.772 -12.492 0.608 716 2HD1 LEU 128 2HD1 LEU 128 2.375 -10.830 0.363 717 3HD1 LEU 128 3HD1 LEU 128 3.264 -11.927 1.397 718 1HD2 LEU 128 1HD2 LEU 128 1.656 -9.557 3.728 719 2HD2 LEU 128 2HD2 LEU 128 3.035 -9.730 2.633 720 3HD2 LEU 128 3HD2 LEU 128 1.545 -8.997 2.050 721 H ALA 129 H ALA 129 -2.838 -12.197 0.275 722 HA ALA 129 HA ALA 129 -4.935 -10.336 1.283 723 1HB ALA 129 1HB ALA 129 -5.265 -10.943 -1.001 724 2HB ALA 129 2HB ALA 129 -4.905 -12.657 -0.683 725 3HB ALA 129 3HB ALA 129 -6.393 -11.939 -0.059 726 H LYS 130 H LYS 130 -4.992 -10.770 3.483 727 HA LYS 130 HA LYS 130 -5.165 -13.584 4.411 728 1HB LYS 130 2HB LYS 130 -4.709 -12.749 6.573 729 2HB LYS 130 3HB LYS 130 -3.614 -11.973 5.426 730 1HG LYS 130 2HG LYS 130 -5.518 -10.054 5.458 731 2HG LYS 130 3HG LYS 130 -5.938 -10.829 6.984 732 1HD LYS 130 2HD LYS 130 -3.102 -10.558 7.050 733 2HD LYS 130 3HD LYS 130 -3.688 -9.075 6.279 734 1HE LYS 130 2HE LYS 130 -5.219 -8.697 8.227 735 2HE LYS 130 3HE LYS 130 -4.629 -10.199 8.965 736 1HZ LYS 130 1HZ LYS 130 -3.002 -7.809 8.404 737 2HZ LYS 130 2HZ LYS 130 -3.514 -8.315 9.880 738 3HZ LYS 130 3HZ LYS 130 -2.427 -9.216 9.039 739 H HIS 131 H HID 131 -7.368 -12.192 2.876 740 HA HIS 131 HA HID 131 -9.583 -12.926 4.717 741 1HB HIS 131 2HB HID 131 -9.263 -10.417 3.051 742 2HB HIS 131 3HB HID 131 -10.856 -11.156 3.230 743 HD1 HIS 131 1HD HID 131 -12.155 -10.674 5.396 744 HD2 HIS 131 2HD HID 131 -8.068 -9.681 5.546 745 HE1 HIS 131 1HE HID 131 -11.762 -9.511 7.640 746 H ASP 132 H ASP 132 -9.890 -14.975 3.841 747 HA ASP 132 HA ASP 132 -9.757 -15.775 1.218 748 1HB ASP 132 2HB ASP 132 -11.883 -16.567 3.271 749 2HB ASP 132 3HB ASP 132 -11.339 -17.522 1.882 Start of MODEL 5 1 H SER 32 H SER 32 12.999 -4.024 19.559 2 HA SER 32 HA SER 32 14.970 -4.361 17.333 3 1HB SER 32 2HB SER 32 14.026 -6.671 17.308 4 2HB SER 32 3HB SER 32 14.820 -6.263 18.844 5 HG SER 32 HG SER 32 12.040 -6.110 18.289 6 H ASN 33 H ASN 33 13.810 -2.509 16.260 7 HA ASN 33 HA ASN 33 11.154 -3.208 15.154 8 1HB ASN 33 2HB ASN 33 12.871 -0.702 14.997 9 2HB ASN 33 3HB ASN 33 11.411 -0.946 14.027 10 1HD2 ASN 33 1HD2 ASN 33 12.117 0.976 16.375 11 2HD2 ASN 33 2HD2 ASN 33 10.731 0.771 17.430 12 H LEU 34 H LEU 34 10.953 -3.964 13.084 13 HA LEU 34 HA LEU 34 13.270 -3.846 11.266 14 1HB LEU 34 2HB LEU 34 13.094 -5.993 12.892 15 2HB LEU 34 3HB LEU 34 12.068 -6.589 11.592 16 HG LEU 34 HG LEU 34 14.840 -5.405 11.075 17 1HD1 LEU 34 1HD1 LEU 34 15.776 -7.668 11.214 18 2HD1 LEU 34 2HD1 LEU 34 15.141 -7.128 12.773 19 3HD1 LEU 34 3HD1 LEU 34 14.216 -8.291 11.796 20 1HD2 LEU 34 1HD2 LEU 34 13.213 -7.508 9.570 21 2HD2 LEU 34 2HD2 LEU 34 13.377 -5.803 9.088 22 3HD2 LEU 34 3HD2 LEU 34 14.797 -6.861 9.097 23 H ASN 35 H ASN 35 9.885 -5.181 11.594 24 HA ASN 35 HA ASN 35 9.129 -3.415 9.454 25 1HB ASN 35 2HB ASN 35 10.140 -5.609 8.363 26 2HB ASN 35 3HB ASN 35 8.648 -6.381 8.905 27 1HD2 ASN 35 1HD2 ASN 35 8.649 -6.674 6.397 28 2HD2 ASN 35 2HD2 ASN 35 7.956 -5.355 5.472 29 H LEU 36 H LEU 36 6.827 -2.916 9.670 30 HA LEU 36 HA LEU 36 5.198 -4.751 11.292 31 1HB LEU 36 2HB LEU 36 4.888 -3.474 13.146 32 2HB LEU 36 3HB LEU 36 6.589 -3.244 12.817 33 HG LEU 36 HG LEU 36 5.720 -1.051 11.525 34 1HD1 LEU 36 1HD1 LEU 36 3.341 -1.218 11.803 35 2HD1 LEU 36 2HD1 LEU 36 3.476 -1.761 13.486 36 3HD1 LEU 36 3HD1 LEU 36 3.837 -0.090 13.059 37 1HD2 LEU 36 1HD2 LEU 36 6.084 0.210 13.604 38 2HD2 LEU 36 2HD2 LEU 36 5.916 -1.282 14.554 39 3HD2 LEU 36 3HD2 LEU 36 7.280 -1.081 13.429 40 H PHE 37 H PHE 37 2.966 -4.185 11.449 41 HA PHE 37 HA PHE 37 1.996 -3.284 8.843 42 1HB PHE 37 2HB PHE 37 0.568 -4.608 11.156 43 2HB PHE 37 3HB PHE 37 -0.116 -4.275 9.576 44 HD1 PHE 37 1HD PHE 37 1.768 -6.677 11.514 45 HD2 PHE 37 2HD PHE 37 0.910 -5.366 7.495 46 HE1 PHE 37 1HE PHE 37 2.519 -8.866 10.638 47 HE2 PHE 37 2HE PHE 37 1.725 -7.547 6.622 48 HZ PHE 37 HZ PHE 37 2.506 -9.301 8.183 49 H TYR 38 H TYR 38 1.330 -1.328 8.463 50 HA TYR 38 HA TYR 38 0.374 0.451 10.637 51 1HB TYR 38 2HB TYR 38 2.600 0.672 8.901 52 2HB TYR 38 3HB TYR 38 1.396 1.710 8.173 53 HD1 TYR 38 HD1 TYR 38 3.514 1.087 11.122 54 HD2 TYR 38 HD2 TYR 38 0.683 3.771 9.319 55 HE1 TYR 38 HE1 TYR 38 4.132 2.840 12.773 56 HE2 TYR 38 HE2 TYR 38 1.485 5.599 10.785 57 HH TYR 38 HH TYR 38 3.011 6.196 12.420 58 H THR 39 H THR 39 -1.296 1.955 10.041 59 HA THR 39 HA THR 39 -3.281 0.769 8.264 60 HB THR 39 HB THR 39 -3.249 2.926 10.417 61 HG1 THR 39 1HG THR 39 -2.989 0.651 10.956 62 1HG2 THR 39 1HG2 THR 39 -5.666 2.879 10.389 63 2HG2 THR 39 2HG2 THR 39 -5.034 3.428 8.831 64 3HG2 THR 39 3HG2 THR 39 -5.673 1.770 9.000 65 HA PRO 40 HA PRO 40 -2.210 3.661 5.071 66 1HB PRO 40 2HB PRO 40 -4.548 3.838 3.588 67 2HB PRO 40 3HB PRO 40 -3.376 2.492 3.538 68 1HG PRO 40 2HG PRO 40 -5.916 2.672 5.157 69 2HG PRO 40 3HG PRO 40 -5.348 1.317 4.154 70 1HD PRO 40 2HD PRO 40 -4.975 1.267 6.816 71 2HD PRO 40 3HD PRO 40 -3.644 0.756 5.732 72 H SER 41 H SER 41 -5.450 4.440 6.590 73 HA SER 41 HA SER 41 -5.537 7.142 5.854 74 1HB SER 41 2HB SER 41 -6.953 7.250 8.043 75 2HB SER 41 3HB SER 41 -7.476 6.183 6.725 76 HG SER 41 HG SER 41 -7.509 4.940 8.621 77 H GLU 42 H GLU 42 -3.849 5.566 8.492 78 HA GLU 42 HA GLU 42 -2.971 7.787 9.980 79 1HB GLU 42 2HB GLU 42 -2.735 5.164 10.312 80 2HB GLU 42 3HB GLU 42 -1.203 5.375 9.458 81 1HG GLU 42 2HG GLU 42 -0.711 5.427 11.757 82 2HG GLU 42 3HG GLU 42 -0.602 7.101 11.190 83 H ILE 43 H ILE 43 -1.397 6.095 7.212 84 HA ILE 43 HA ILE 43 0.806 7.970 7.223 85 HB ILE 43 HB ILE 43 1.544 6.694 5.140 86 1HG1 ILE 43 2HG1 ILE 43 -0.359 4.600 6.222 87 2HG1 ILE 43 3HG1 ILE 43 -0.704 5.584 4.788 88 1HG2 ILE 43 1HG2 ILE 43 2.499 4.958 6.658 89 2HG2 ILE 43 2HG2 ILE 43 2.548 6.558 7.385 90 3HG2 ILE 43 3HG2 ILE 43 1.298 5.411 7.882 91 1HD1 ILE 43 1HD1 ILE 43 1.658 3.686 5.086 92 2HD1 ILE 43 2HD1 ILE 43 0.196 3.424 4.138 93 3HD1 ILE 43 3HD1 ILE 43 1.309 4.730 3.687 94 H VAL 44 H VAL 44 -2.192 8.622 6.232 95 HA VAL 44 HA VAL 44 -1.470 10.328 3.944 96 HB VAL 44 HB VAL 44 -4.048 9.867 5.438 97 1HG1 VAL 44 1HG1 VAL 44 -5.127 11.112 3.562 98 2HG1 VAL 44 2HG1 VAL 44 -4.113 12.165 4.545 99 3HG1 VAL 44 3HG1 VAL 44 -3.519 11.581 2.976 100 1HG2 VAL 44 1HG2 VAL 44 -3.341 7.976 4.028 101 2HG2 VAL 44 2HG2 VAL 44 -4.804 8.763 3.437 102 3HG2 VAL 44 3HG2 VAL 44 -3.252 9.092 2.638 103 H ASN 45 H ASN 45 -1.752 10.535 7.511 104 HA ASN 45 HA ASN 45 -1.940 13.550 7.280 105 1HB ASN 45 2HB ASN 45 -3.383 11.687 9.180 106 2HB ASN 45 3HB ASN 45 -3.399 13.455 9.230 107 1HD2 ASN 45 1HD2 ASN 45 -4.643 10.595 7.499 108 2HD2 ASN 45 2HD2 ASN 45 -5.769 11.534 6.530 109 H GLY 46 H GLY 46 0.240 13.950 7.690 110 1HA GLY 46 1HA GLY 46 1.885 14.670 9.183 111 2HA GLY 46 2HA GLY 46 0.846 14.175 10.529 112 H LYS 47 H LYS 47 2.070 12.307 7.818 113 HA LYS 47 HA LYS 47 4.072 10.810 9.170 114 1HB LYS 47 2HB LYS 47 1.415 9.519 8.483 115 2HB LYS 47 3HB LYS 47 2.910 8.572 8.605 116 1HG LYS 47 2HG LYS 47 2.292 8.193 10.685 117 2HG LYS 47 3HG LYS 47 3.028 9.777 10.986 118 1HD LYS 47 2HD LYS 47 0.689 10.734 10.518 119 2HD LYS 47 3HD LYS 47 0.049 9.130 10.576 120 1HE LYS 47 2HE LYS 47 1.689 10.299 12.874 121 2HE LYS 47 3HE LYS 47 -0.026 10.685 12.675 122 1HZ LYS 47 1HZ LYS 47 0.342 8.790 14.160 123 2HZ LYS 47 2HZ LYS 47 -0.636 8.480 12.924 124 3HZ LYS 47 3HZ LYS 47 0.883 7.899 12.883 125 H THR 48 H THR 48 3.849 8.733 6.884 126 HA THR 48 HA THR 48 5.571 9.486 5.185 127 HB THR 48 HB THR 48 2.964 8.208 4.302 128 HG1 THR 48 1HG THR 48 4.061 6.311 5.107 129 1HG2 THR 48 1HG2 THR 48 5.806 7.624 3.423 130 2HG2 THR 48 2HG2 THR 48 4.270 6.974 2.757 131 3HG2 THR 48 3HG2 THR 48 4.699 8.657 2.502 132 H ASP 49 H ASP 49 2.130 10.287 4.329 133 HA ASP 49 HA ASP 49 2.503 11.536 1.933 134 1HB ASP 49 2HB ASP 49 0.386 11.079 3.123 135 2HB ASP 49 3HB ASP 49 0.681 12.481 4.178 136 H THR 50 H THR 50 2.860 13.088 5.132 137 HA THR 50 HA THR 50 3.918 15.566 3.882 138 HB THR 50 HB THR 50 3.469 15.097 6.832 139 HG1 THR 50 1HG THR 50 1.551 15.456 4.824 140 1HG2 THR 50 1HG2 THR 50 4.574 17.227 6.084 141 2HG2 THR 50 2HG2 THR 50 3.192 17.556 5.027 142 3HG2 THR 50 3HG2 THR 50 2.974 17.527 6.788 143 H GLY 51 H GLY 51 4.962 12.680 5.515 144 1HA GLY 51 1HA GLY 51 6.998 11.831 6.002 145 2HA GLY 51 2HA GLY 51 7.706 13.096 4.989 146 H VAL 52 H VAL 52 5.780 13.615 7.949 147 HA VAL 52 HA VAL 52 7.919 15.329 8.985 148 HB VAL 52 HB VAL 52 6.371 15.878 10.791 149 1HG1 VAL 52 1HG1 VAL 52 5.156 15.955 8.010 150 2HG1 VAL 52 2HG1 VAL 52 4.687 16.994 9.369 151 3HG1 VAL 52 3HG1 VAL 52 6.315 17.117 8.675 152 1HG2 VAL 52 1HG2 VAL 52 4.016 15.083 10.692 153 2HG2 VAL 52 2HG2 VAL 52 4.484 13.890 9.467 154 3HG2 VAL 52 3HG2 VAL 52 5.132 13.788 11.115 155 H LYS 53 H LYS 53 6.550 12.212 9.872 156 HA LYS 53 HA LYS 53 8.587 11.913 12.038 157 1HB LYS 53 2HB LYS 53 5.777 10.856 11.790 158 2HB LYS 53 3HB LYS 53 6.982 10.068 12.836 159 1HG LYS 53 2HG LYS 53 7.376 12.138 14.049 160 2HG LYS 53 3HG LYS 53 6.424 13.061 12.903 161 1HD LYS 53 2HD LYS 53 5.172 12.824 14.887 162 2HD LYS 53 3HD LYS 53 4.357 11.901 13.619 163 1HE LYS 53 2HE LYS 53 4.905 9.822 14.594 164 2HE LYS 53 3HE LYS 53 6.330 10.459 15.424 165 1HZ LYS 53 1HZ LYS 53 3.565 11.094 16.208 166 2HZ LYS 53 2HZ LYS 53 4.539 9.988 16.943 167 3HZ LYS 53 3HZ LYS 53 4.941 11.577 16.969 168 HA PRO 54 HA PRO 54 9.504 8.109 9.532 169 1HB PRO 54 2HB PRO 54 7.961 7.076 7.572 170 2HB PRO 54 3HB PRO 54 7.541 6.827 9.294 171 1HG PRO 54 2HG PRO 54 6.427 8.894 7.389 172 2HG PRO 54 3HG PRO 54 5.512 7.810 8.471 173 1HD PRO 54 2HD PRO 54 6.212 10.419 9.079 174 2HD PRO 54 3HD PRO 54 5.988 9.152 10.337 175 H GLU 55 H GLU 55 11.024 8.273 7.888 176 HA GLU 55 HA GLU 55 10.746 10.344 5.781 177 1HB GLU 55 2HB GLU 55 13.001 8.893 7.127 178 2HB GLU 55 3HB GLU 55 13.190 9.152 5.394 179 1HG GLU 55 2HG GLU 55 12.917 11.532 5.612 180 2HG GLU 55 3HG GLU 55 12.457 11.389 7.320 181 H ALA 56 H ALA 56 11.071 9.744 3.586 182 HA ALA 56 HA ALA 56 9.931 7.184 2.823 183 1HB ALA 56 1HB ALA 56 10.195 7.987 0.497 184 2HB ALA 56 2HB ALA 56 9.441 9.234 1.474 185 3HB ALA 56 3HB ALA 56 11.159 9.361 1.059 186 H GLY 57 H GLY 57 11.149 5.438 1.897 187 1HA GLY 57 1HA GLY 57 13.165 4.404 1.161 188 2HA GLY 57 2HA GLY 57 14.126 5.574 2.050 189 H GLN 58 H GLN 58 11.364 4.219 3.731 190 HA GLN 58 HA GLN 58 13.150 2.448 5.355 191 1HB GLN 58 2HB GLN 58 10.624 3.973 6.100 192 2HB GLN 58 3HB GLN 58 11.474 2.827 7.147 193 1HG GLN 58 2HG GLN 58 13.501 4.250 7.097 194 2HG GLN 58 3HG GLN 58 12.653 5.438 6.089 195 1HE2 GLN 58 1HE2 GLN 58 10.536 6.282 6.981 196 2HE2 GLN 58 2HE2 GLN 58 10.347 6.361 8.745 197 H ARG 59 H ARG 59 12.188 0.487 6.101 198 HA ARG 59 HA ARG 59 10.186 -0.662 4.283 199 1HB ARG 59 2HB ARG 59 12.291 -1.703 6.141 200 2HB ARG 59 3HB ARG 59 10.798 -2.616 6.198 201 1HG ARG 59 2HG ARG 59 11.732 -2.051 3.438 202 2HG ARG 59 3HG ARG 59 12.851 -3.018 4.387 203 1HD ARG 59 2HD ARG 59 9.892 -3.724 4.193 204 2HD ARG 59 3HD ARG 59 11.101 -4.287 3.024 205 HE ARG 59 HE ARG 59 11.884 -4.801 5.762 206 1HH1 ARG 59 2HH2 ARG 59 9.906 -6.169 3.023 207 2HH1 ARG 59 1HH2 ARG 59 9.697 -7.657 3.728 208 1HH2 ARG 59 1HH1 ARG 59 11.947 -6.998 6.499 209 2HH2 ARG 59 2HH1 ARG 59 11.101 -8.230 5.607 210 H ILE 60 H ILE 60 8.077 -0.903 4.840 211 HA ILE 60 HA ILE 60 7.308 -1.317 7.590 212 HB ILE 60 HB ILE 60 5.482 0.261 7.651 213 1HG1 ILE 60 2HG1 ILE 60 6.599 1.522 5.135 214 2HG1 ILE 60 3HG1 ILE 60 5.168 0.490 5.157 215 1HG2 ILE 60 1HG2 ILE 60 7.677 0.900 8.635 216 2HG2 ILE 60 2HG2 ILE 60 8.046 1.816 7.155 217 3HG2 ILE 60 3HG2 ILE 60 6.678 2.279 8.184 218 1HD1 ILE 60 1HD1 ILE 60 4.077 2.040 6.784 219 2HD1 ILE 60 2HD1 ILE 60 5.423 3.181 6.526 220 3HD1 ILE 60 3HD1 ILE 60 4.369 2.721 5.178 221 H ARG 61 H ARG 61 4.758 -1.833 7.459 222 HA ARG 61 HA ARG 61 4.173 -3.027 4.799 223 1HB ARG 61 2HB ARG 61 3.176 -4.202 7.400 224 2HB ARG 61 3HB ARG 61 3.296 -4.939 5.802 225 1HG ARG 61 2HG ARG 61 5.822 -4.666 6.078 226 2HG ARG 61 3HG ARG 61 5.545 -4.192 7.748 227 1HD ARG 61 2HD ARG 61 4.196 -6.716 7.119 228 2HD ARG 61 3HD ARG 61 5.945 -6.758 6.788 229 HE ARG 61 HE ARG 61 5.544 -5.616 9.338 230 1HH1 ARG 61 2HH2 ARG 61 5.169 -8.711 7.660 231 2HH1 ARG 61 1HH2 ARG 61 5.603 -9.681 9.038 232 1HH2 ARG 61 1HH1 ARG 61 6.448 -6.886 11.074 233 2HH2 ARG 61 2HH1 ARG 61 6.188 -8.604 11.091 234 H VAL 62 H VAL 62 2.351 -2.204 3.896 235 HA VAL 62 HA VAL 62 0.618 -0.471 5.616 236 HB VAL 62 HB VAL 62 1.317 0.631 3.637 237 1HG1 VAL 62 1HG1 VAL 62 0.773 -0.097 1.381 238 2HG1 VAL 62 2HG1 VAL 62 1.820 -1.287 2.143 239 3HG1 VAL 62 3HG1 VAL 62 0.068 -1.603 1.988 240 1HG2 VAL 62 1HG2 VAL 62 -0.840 1.246 2.696 241 2HG2 VAL 62 2HG2 VAL 62 -1.583 -0.248 3.286 242 3HG2 VAL 62 3HG2 VAL 62 -1.019 0.981 4.441 243 H GLY 63 H GLY 63 -1.360 -1.245 6.284 244 1HA GLY 63 1HA GLY 63 -2.445 -3.716 4.967 245 2HA GLY 63 2HA GLY 63 -2.238 -3.576 6.716 246 H GLY 64 H GLY 64 -4.490 -3.349 4.276 247 1HA GLY 64 1HA GLY 64 -6.455 -1.972 5.837 248 2HA GLY 64 2HA GLY 64 -5.786 -0.884 4.603 249 H MET 65 H MET 65 -8.048 -0.949 3.724 250 HA MET 65 HA MET 65 -8.750 -3.545 2.451 251 1HB MET 65 2HB MET 65 -11.032 -2.853 2.434 252 2HB MET 65 3HB MET 65 -10.365 -2.984 4.052 253 1HG MET 65 2HG MET 65 -10.069 -0.244 3.132 254 2HG MET 65 3HG MET 65 -11.700 -0.804 2.823 255 1HE MET 65 1HE MET 65 -9.697 -2.117 6.058 256 2HE MET 65 2HE MET 65 -8.967 -0.543 5.673 257 3HE MET 65 3HE MET 65 -9.986 -0.722 7.116 258 H VAL 66 H VAL 66 -8.905 -3.791 0.388 259 HA VAL 66 HA VAL 66 -7.998 -1.680 -1.418 260 HB VAL 66 HB VAL 66 -8.985 -4.522 -1.938 261 1HG1 VAL 66 1HG1 VAL 66 -7.638 -2.489 -3.771 262 2HG1 VAL 66 2HG1 VAL 66 -7.840 -4.215 -4.136 263 3HG1 VAL 66 3HG1 VAL 66 -9.264 -3.181 -3.944 264 1HG2 VAL 66 1HG2 VAL 66 -6.162 -3.372 -1.810 265 2HG2 VAL 66 2HG2 VAL 66 -6.888 -4.477 -0.621 266 3HG2 VAL 66 3HG2 VAL 66 -6.587 -5.033 -2.274 267 H THR 67 H THR 67 -9.272 -0.411 -2.585 268 HA THR 67 HA THR 67 -11.791 0.252 -1.838 269 HB THR 67 HB THR 67 -10.583 0.736 -4.564 270 HG1 THR 67 1HG THR 67 -8.965 1.335 -3.118 271 1HG2 THR 67 1HG2 THR 67 -12.406 2.082 -4.781 272 2HG2 THR 67 2HG2 THR 67 -12.825 1.977 -3.047 273 3HG2 THR 67 3HG2 THR 67 -11.631 3.145 -3.620 274 H VAL 68 H VAL 68 -11.561 -1.015 -5.221 275 HA VAL 68 HA VAL 68 -13.529 -2.841 -5.226 276 HB VAL 68 HB VAL 68 -15.151 -1.285 -4.208 277 1HG1 VAL 68 1HG1 VAL 68 -14.123 0.833 -5.049 278 2HG1 VAL 68 2HG1 VAL 68 -14.810 0.501 -6.651 279 3HG1 VAL 68 3HG1 VAL 68 -15.880 0.741 -5.259 280 1HG2 VAL 68 1HG2 VAL 68 -15.817 -2.975 -5.817 281 2HG2 VAL 68 2HG2 VAL 68 -16.904 -1.566 -5.747 282 3HG2 VAL 68 3HG2 VAL 68 -15.770 -1.748 -7.110 283 H GLY 69 H GLY 69 -12.396 0.160 -6.756 284 1HA GLY 69 1HA GLY 69 -11.675 -1.317 -9.195 285 2HA GLY 69 2HA GLY 69 -12.860 -0.018 -9.397 286 H SER 70 H SER 70 -10.117 -0.146 -7.072 287 HA SER 70 HA SER 70 -9.130 2.441 -8.260 288 1HB SER 70 2HB SER 70 -8.458 1.172 -5.596 289 2HB SER 70 3HB SER 70 -7.858 2.719 -6.239 290 HG SER 70 HG SER 70 -9.771 2.806 -4.812 291 H MET 71 H MET 71 -8.472 -0.940 -8.413 292 HA MET 71 HA MET 71 -5.610 -0.762 -8.649 293 1HB MET 71 2HB MET 71 -6.808 -2.898 -8.280 294 2HB MET 71 3HB MET 71 -7.647 -2.710 -9.821 295 1HG MET 71 2HG MET 71 -5.762 -4.271 -9.999 296 2HG MET 71 3HG MET 71 -5.589 -2.896 -11.080 297 1HE MET 71 1HE MET 71 -4.071 -4.864 -8.056 298 2HE MET 71 2HE MET 71 -3.140 -3.579 -7.245 299 3HE MET 71 3HE MET 71 -4.911 -3.508 -7.281 300 H VAL 72 H VAL 72 -4.440 0.070 -10.331 301 HA VAL 72 HA VAL 72 -5.652 -0.052 -13.033 302 HB VAL 72 HB VAL 72 -4.531 2.018 -13.699 303 1HG1 VAL 72 1HG1 VAL 72 -6.941 1.992 -13.097 304 2HG1 VAL 72 2HG1 VAL 72 -6.525 2.448 -11.431 305 3HG1 VAL 72 3HG1 VAL 72 -6.179 3.559 -12.769 306 1HG2 VAL 72 1HG2 VAL 72 -4.071 2.487 -10.721 307 2HG2 VAL 72 2HG2 VAL 72 -2.815 2.206 -11.955 308 3HG2 VAL 72 3HG2 VAL 72 -3.811 3.668 -12.020 309 H ARG 73 H ARG 73 -4.218 -0.704 -14.603 310 HA ARG 73 HA ARG 73 -1.637 -1.744 -13.595 311 1HB ARG 73 2HB ARG 73 -2.112 -3.915 -14.481 312 2HB ARG 73 3HB ARG 73 -3.526 -3.435 -13.538 313 1HG ARG 73 2HG ARG 73 -4.635 -4.223 -15.310 314 2HG ARG 73 3HG ARG 73 -4.378 -2.599 -15.949 315 1HD ARG 73 2HD ARG 73 -2.079 -3.642 -16.816 316 2HD ARG 73 3HD ARG 73 -2.858 -5.184 -16.564 317 HE ARG 73 HE ARG 73 -3.254 -3.248 -18.678 318 1HH1 ARG 73 2HH2 ARG 73 -5.015 -5.656 -16.826 319 2HH1 ARG 73 1HH2 ARG 73 -6.294 -5.882 -17.980 320 1HH2 ARG 73 1HH1 ARG 73 -4.907 -3.522 -20.275 321 2HH2 ARG 73 2HH1 ARG 73 -6.210 -4.635 -20.011 322 H ASP 74 H ASP 74 0.053 -1.576 -15.063 323 HA ASP 74 HA ASP 74 -0.508 0.225 -17.306 324 1HB ASP 74 2HB ASP 74 1.932 -0.803 -15.892 325 2HB ASP 74 3HB ASP 74 2.120 -0.162 -17.528 326 HA PRO 75 HA PRO 75 -0.532 -2.958 -20.387 327 1HB PRO 75 2HB PRO 75 0.233 -1.636 -22.643 328 2HB PRO 75 3HB PRO 75 -1.273 -1.219 -21.779 329 1HG PRO 75 2HG PRO 75 1.419 0.151 -21.540 330 2HG PRO 75 3HG PRO 75 -0.174 0.912 -21.816 331 1HD PRO 75 2HD PRO 75 0.973 0.692 -19.331 332 2HD PRO 75 3HD PRO 75 -0.799 0.618 -19.562 333 H ASN 76 H ASN 76 2.269 -1.917 -18.973 334 HA ASN 76 HA ASN 76 4.191 -3.375 -20.589 335 1HB ASN 76 2HB ASN 76 4.283 -2.631 -17.636 336 2HB ASN 76 3HB ASN 76 5.641 -3.108 -18.675 337 1HD2 ASN 76 1HD2 ASN 76 4.374 -0.431 -17.212 338 2HD2 ASN 76 2HD2 ASN 76 4.835 0.764 -18.399 339 H SER 77 H SER 77 1.799 -4.081 -18.053 340 HA SER 77 HA SER 77 1.078 -5.955 -17.089 341 1HB SER 77 2HB SER 77 2.827 -7.654 -18.905 342 2HB SER 77 3HB SER 77 1.386 -8.125 -18.013 343 HG SER 77 HG SER 77 1.532 -6.258 -20.152 344 H LEU 78 H LEU 78 3.949 -4.725 -16.562 345 HA LEU 78 HA LEU 78 4.584 -6.607 -14.337 346 1HB LEU 78 2HB LEU 78 6.966 -5.683 -14.540 347 2HB LEU 78 3HB LEU 78 6.435 -6.945 -15.626 348 HG LEU 78 HG LEU 78 5.896 -4.225 -16.692 349 1HD1 LEU 78 1HD1 LEU 78 8.772 -5.006 -16.228 350 2HD1 LEU 78 2HD1 LEU 78 8.178 -3.690 -17.280 351 3HD1 LEU 78 3HD1 LEU 78 7.893 -3.623 -15.529 352 1HD2 LEU 78 1HD2 LEU 78 6.684 -5.299 -18.720 353 2HD2 LEU 78 2HD2 LEU 78 7.514 -6.567 -17.781 354 3HD2 LEU 78 3HD2 LEU 78 5.747 -6.516 -17.816 355 H HIS 79 H HID 79 2.882 -3.990 -14.733 356 HA HIS 79 HA HID 79 3.938 -2.661 -12.330 357 1HB HIS 79 2HB HID 79 3.804 -1.461 -15.087 358 2HB HIS 79 3HB HID 79 3.380 -0.455 -13.694 359 HD1 HIS 79 1HD HID 79 5.503 -0.826 -11.634 360 HD2 HIS 79 2HD HID 79 6.272 -1.102 -15.765 361 HE1 HIS 79 1HE HID 79 7.992 -0.366 -11.948 362 H VAL 80 H VAL 80 2.368 -2.373 -10.987 363 HA VAL 80 HA VAL 80 -0.361 -1.758 -11.898 364 HB VAL 80 HB VAL 80 -0.918 -3.520 -9.901 365 1HG1 VAL 80 1HG1 VAL 80 -1.625 -5.130 -11.584 366 2HG1 VAL 80 2HG1 VAL 80 -2.066 -3.454 -11.948 367 3HG1 VAL 80 3HG1 VAL 80 -0.695 -4.233 -12.809 368 1HG2 VAL 80 1HG2 VAL 80 1.270 -4.925 -11.492 369 2HG2 VAL 80 2HG2 VAL 80 1.485 -4.370 -9.822 370 3HG2 VAL 80 3HG2 VAL 80 0.288 -5.617 -10.198 371 H GLN 81 H GLN 81 -1.413 -0.359 -10.511 372 HA GLN 81 HA GLN 81 -0.271 -0.121 -7.779 373 1HB GLN 81 2HB GLN 81 -0.219 2.324 -7.896 374 2HB GLN 81 3HB GLN 81 0.925 1.590 -9.041 375 1HG GLN 81 2HG GLN 81 -0.657 1.926 -10.892 376 2HG GLN 81 3HG GLN 81 -1.860 2.573 -9.752 377 1HE2 GLN 81 1HE2 GLN 81 -1.962 4.518 -11.014 378 2HE2 GLN 81 2HE2 GLN 81 -0.637 5.661 -10.962 379 H PHE 82 H PHE 82 -1.695 0.825 -6.248 380 HA PHE 82 HA PHE 82 -4.525 0.994 -7.056 381 1HB PHE 82 2HB PHE 82 -5.228 -0.876 -5.726 382 2HB PHE 82 3HB PHE 82 -4.080 -1.391 -6.943 383 HD1 PHE 82 1HD PHE 82 -4.979 -1.738 -3.552 384 HD2 PHE 82 2HD PHE 82 -1.522 -1.627 -6.137 385 HE1 PHE 82 1HE PHE 82 -3.648 -2.965 -1.860 386 HE2 PHE 82 2HE PHE 82 -0.176 -2.719 -4.383 387 HZ PHE 82 HZ PHE 82 -1.238 -3.383 -2.223 388 H ALA 83 H ALA 83 -5.866 1.891 -5.527 389 HA ALA 83 HA ALA 83 -4.475 3.256 -3.309 390 1HB ALA 83 1HB ALA 83 -5.847 4.618 -4.883 391 2HB ALA 83 2HB ALA 83 -7.296 3.765 -4.290 392 3HB ALA 83 3HB ALA 83 -6.316 4.730 -3.178 393 H VAL 84 H VAL 84 -4.697 2.591 -1.309 394 HA VAL 84 HA VAL 84 -6.776 0.545 -0.573 395 HB VAL 84 HB VAL 84 -4.119 1.176 0.794 396 1HG1 VAL 84 1HG1 VAL 84 -6.003 -1.200 1.139 397 2HG1 VAL 84 2HG1 VAL 84 -4.532 -0.858 2.068 398 3HG1 VAL 84 3HG1 VAL 84 -5.952 0.184 2.244 399 1HG2 VAL 84 1HG2 VAL 84 -4.890 -1.097 -1.069 400 2HG2 VAL 84 2HG2 VAL 84 -3.657 0.143 -1.394 401 3HG2 VAL 84 3HG2 VAL 84 -3.394 -1.043 -0.106 402 H HIS 85 H HID 85 -8.224 1.167 1.040 403 HA HIS 85 HA HID 85 -7.812 3.863 2.289 404 1HB HIS 85 2HB HID 85 -10.071 4.388 2.095 405 2HB HIS 85 3HB HID 85 -9.593 3.809 0.503 406 HD1 HIS 85 1HD HID 85 -12.093 3.134 3.225 407 HD2 HIS 85 2HD HID 85 -10.363 1.245 -0.113 408 HE1 HIS 85 1HE HID 85 -13.731 1.307 2.487 409 H ASP 86 H ASP 86 -9.537 4.074 4.192 410 HA ASP 86 HA ASP 86 -9.367 1.623 5.832 411 1HB ASP 86 2HB ASP 86 -7.626 3.333 6.443 412 2HB ASP 86 3HB ASP 86 -8.932 4.520 6.631 413 H SER 87 H SER 87 -10.791 1.863 7.737 414 HA SER 87 HA SER 87 -13.521 2.623 7.413 415 1HB SER 87 2HB SER 87 -11.710 2.495 9.865 416 2HB SER 87 3HB SER 87 -13.485 2.619 9.901 417 HG SER 87 HG SER 87 -12.605 0.423 10.027 418 H LEU 88 H LEU 88 -10.586 4.497 8.609 419 HA LEU 88 HA LEU 88 -12.204 6.889 8.890 420 1HB LEU 88 2HB LEU 88 -9.230 6.342 8.981 421 2HB LEU 88 3HB LEU 88 -9.857 7.969 9.117 422 HG LEU 88 HG LEU 88 -11.034 5.892 10.951 423 1HD1 LEU 88 1HD1 LEU 88 -9.254 6.372 12.609 424 2HD1 LEU 88 2HD1 LEU 88 -8.633 5.509 11.192 425 3HD1 LEU 88 3HD1 LEU 88 -8.337 7.253 11.366 426 1HD2 LEU 88 1HD2 LEU 88 -11.247 7.855 12.422 427 2HD2 LEU 88 2HD2 LEU 88 -10.314 8.847 11.286 428 3HD2 LEU 88 3HD2 LEU 88 -11.922 8.248 10.829 429 H GLY 89 H GLY 89 -11.747 5.417 6.042 430 1HA GLY 89 1HA GLY 89 -12.258 6.286 4.010 431 2HA GLY 89 2HA GLY 89 -12.261 7.919 4.687 432 H GLY 90 H GLY 90 -9.716 8.185 5.630 433 1HA GLY 90 1HA GLY 90 -8.195 9.177 3.590 434 2HA GLY 90 2HA GLY 90 -7.511 8.577 5.111 435 H GLU 91 H GLU 91 -7.243 8.275 1.837 436 HA GLU 91 HA GLU 91 -6.503 5.415 1.905 437 1HB GLU 91 2HB GLU 91 -7.081 5.410 -0.504 438 2HB GLU 91 3HB GLU 91 -8.465 5.812 0.522 439 1HG GLU 91 2HG GLU 91 -8.274 8.183 -0.011 440 2HG GLU 91 3HG GLU 91 -6.801 7.886 -0.958 441 H ILE 92 H ILE 92 -4.739 4.733 0.697 442 HA ILE 92 HA ILE 92 -2.794 6.839 -0.030 443 HB ILE 92 HB ILE 92 -2.610 5.080 2.257 444 1HG1 ILE 92 2HG1 ILE 92 -1.899 7.325 2.394 445 2HG1 ILE 92 3HG1 ILE 92 -0.532 6.275 2.729 446 1HG2 ILE 92 1HG2 ILE 92 -1.669 3.356 0.848 447 2HG2 ILE 92 2HG2 ILE 92 -0.436 4.490 0.246 448 3HG2 ILE 92 3HG2 ILE 92 -0.465 4.013 1.954 449 1HD1 ILE 92 1HD1 ILE 92 0.361 6.738 0.444 450 2HD1 ILE 92 2HD1 ILE 92 -0.958 7.915 0.208 451 3HD1 ILE 92 3HD1 ILE 92 0.208 8.160 1.498 452 H LEU 93 H LEU 93 -1.169 6.075 -1.531 453 HA LEU 93 HA LEU 93 -2.403 4.122 -3.410 454 1HB LEU 93 2HB LEU 93 -0.875 6.687 -3.682 455 2HB LEU 93 3HB LEU 93 -0.527 5.448 -4.892 456 HG LEU 93 HG LEU 93 -3.387 6.264 -4.288 457 1HD1 LEU 93 1HD1 LEU 93 -3.256 7.843 -6.164 458 2HD1 LEU 93 2HD1 LEU 93 -2.117 8.328 -4.894 459 3HD1 LEU 93 3HD1 LEU 93 -1.526 7.510 -6.365 460 1HD2 LEU 93 1HD2 LEU 93 -3.698 5.451 -6.616 461 2HD2 LEU 93 2HD2 LEU 93 -1.948 5.160 -6.754 462 3HD2 LEU 93 3HD2 LEU 93 -2.932 4.183 -5.641 463 H VAL 94 H VAL 94 -1.425 2.222 -3.575 464 HA VAL 94 HA VAL 94 1.409 1.911 -2.661 465 HB VAL 94 HB VAL 94 -0.825 -0.133 -2.942 466 1HG1 VAL 94 1HG1 VAL 94 0.734 -1.568 -1.620 467 2HG1 VAL 94 2HG1 VAL 94 1.451 -1.105 -3.171 468 3HG1 VAL 94 3HG1 VAL 94 1.953 -0.277 -1.683 469 1HG2 VAL 94 1HG2 VAL 94 -1.392 1.390 -1.114 470 2HG2 VAL 94 2HG2 VAL 94 -0.831 -0.146 -0.452 471 3HG2 VAL 94 3HG2 VAL 94 0.256 1.263 -0.468 472 H THR 95 H THR 95 2.923 1.234 -4.217 473 HA THR 95 HA THR 95 1.868 0.660 -6.942 474 HB THR 95 HB THR 95 4.041 1.443 -7.747 475 HG1 THR 95 1HG THR 95 5.410 2.528 -6.244 476 1HG2 THR 95 1HG2 THR 95 3.751 3.838 -7.330 477 2HG2 THR 95 2HG2 THR 95 2.157 3.086 -7.500 478 3HG2 THR 95 3HG2 THR 95 2.771 3.514 -5.889 479 H TYR 96 H TYR 96 2.746 -1.112 -8.046 480 HA TYR 96 HA TYR 96 4.403 -3.038 -6.528 481 1HB TYR 96 2HB TYR 96 1.888 -3.239 -6.102 482 2HB TYR 96 3HB TYR 96 1.691 -3.632 -7.790 483 HD1 TYR 96 HD1 TYR 96 2.219 -4.913 -4.542 484 HD2 TYR 96 HD2 TYR 96 3.161 -5.668 -8.654 485 HE1 TYR 96 HE1 TYR 96 2.751 -7.255 -4.000 486 HE2 TYR 96 HE2 TYR 96 3.648 -8.053 -8.114 487 HH TYR 96 HH TYR 96 4.106 -9.021 -4.760 488 H ASP 97 H ASP 97 5.940 -3.880 -7.906 489 HA ASP 97 HA ASP 97 5.718 -3.194 -10.762 490 1HB ASP 97 2HB ASP 97 8.191 -3.090 -10.555 491 2HB ASP 97 3HB ASP 97 7.364 -1.973 -9.466 492 H ASP 98 H ASP 98 4.428 -5.518 -10.215 493 HA ASP 98 HA ASP 98 5.559 -7.218 -12.120 494 1HB ASP 98 2HB ASP 98 6.868 -7.923 -9.924 495 2HB ASP 98 3HB ASP 98 5.345 -8.675 -9.455 496 H LEU 99 H LEU 99 3.975 -9.331 -12.049 497 HA LEU 99 HA LEU 99 1.246 -8.278 -12.023 498 1HB LEU 99 2HB LEU 99 2.258 -11.139 -12.267 499 2HB LEU 99 3HB LEU 99 0.573 -10.629 -12.356 500 HG LEU 99 HG LEU 99 1.737 -8.898 -14.163 501 1HD1 LEU 99 1HD1 LEU 99 3.067 -11.628 -14.491 502 2HD1 LEU 99 2HD1 LEU 99 3.117 -10.306 -15.673 503 3HD1 LEU 99 3HD1 LEU 99 3.895 -10.106 -14.097 504 1HD2 LEU 99 1HD2 LEU 99 0.492 -11.611 -14.731 505 2HD2 LEU 99 2HD2 LEU 99 -0.377 -10.080 -14.475 506 3HD2 LEU 99 3HD2 LEU 99 0.667 -10.275 -15.892 507 H LEU 100 H LEU 100 -0.222 -8.249 -10.453 508 HA LEU 100 HA LEU 100 0.435 -9.181 -7.757 509 1HB LEU 100 2HB LEU 100 -1.736 -7.546 -9.105 510 2HB LEU 100 3HB LEU 100 -2.083 -8.206 -7.516 511 HG LEU 100 HG LEU 100 0.429 -6.568 -8.042 512 1HD1 LEU 100 1HD1 LEU 100 -1.654 -5.260 -8.573 513 2HD1 LEU 100 2HD1 LEU 100 -2.235 -5.645 -6.934 514 3HD1 LEU 100 3HD1 LEU 100 -0.781 -4.640 -7.153 515 1HD2 LEU 100 1HD2 LEU 100 0.069 -6.195 -5.514 516 2HD2 LEU 100 2HD2 LEU 100 -1.176 -7.431 -5.597 517 3HD2 LEU 100 3HD2 LEU 100 0.500 -7.862 -5.973 518 HA PRO 101 HA PRO 101 -2.016 -12.949 -8.055 519 1HB PRO 101 2HB PRO 101 -3.062 -13.236 -5.555 520 2HB PRO 101 3HB PRO 101 -1.319 -13.429 -5.901 521 1HG PRO 101 2HG PRO 101 -2.721 -10.956 -4.847 522 2HG PRO 101 3HG PRO 101 -1.256 -11.729 -4.186 523 1HD PRO 101 2HD PRO 101 -1.141 -9.619 -5.865 524 2HD PRO 101 3HD PRO 101 0.078 -10.917 -5.988 525 H ASP 102 H ASP 102 -3.753 -12.811 -9.346 526 HA ASP 102 HA ASP 102 -5.663 -12.047 -10.331 527 1HB ASP 102 2HB ASP 102 -6.637 -12.881 -7.571 528 2HB ASP 102 3HB ASP 102 -7.671 -12.616 -8.988 529 H LEU 103 H LEU 103 -4.280 -9.923 -9.738 530 HA LEU 103 HA LEU 103 -4.180 -7.765 -9.299 531 1HB LEU 103 2HB LEU 103 -5.782 -6.419 -10.355 532 2HB LEU 103 3HB LEU 103 -5.669 -7.885 -11.299 533 HG LEU 103 HG LEU 103 -7.825 -7.976 -9.234 534 1HD1 LEU 103 1HD1 LEU 103 -9.331 -6.446 -10.386 535 2HD1 LEU 103 2HD1 LEU 103 -7.947 -5.606 -9.671 536 3HD1 LEU 103 3HD1 LEU 103 -7.995 -5.901 -11.426 537 1HD2 LEU 103 1HD2 LEU 103 -9.142 -8.820 -11.090 538 2HD2 LEU 103 2HD2 LEU 103 -7.909 -8.306 -12.261 539 3HD2 LEU 103 3HD2 LEU 103 -7.565 -9.624 -11.125 540 H PHE 104 H PHE 104 -5.244 -9.343 -6.900 541 HA PHE 104 HA PHE 104 -6.470 -9.197 -5.094 542 1HB PHE 104 2HB PHE 104 -6.466 -6.186 -5.325 543 2HB PHE 104 3HB PHE 104 -6.910 -7.162 -3.934 544 HD1 PHE 104 1HD PHE 104 -4.853 -9.032 -3.388 545 HD2 PHE 104 2HD PHE 104 -4.440 -5.056 -5.045 546 HE1 PHE 104 1HE PHE 104 -2.560 -8.875 -2.471 547 HE2 PHE 104 2HE PHE 104 -2.093 -5.028 -4.323 548 HZ PHE 104 HZ PHE 104 -1.229 -6.811 -2.858 549 H ARG 105 H ARG 105 -8.385 -9.992 -5.490 550 HA ARG 105 HA ARG 105 -10.241 -8.954 -7.427 551 1HB ARG 105 2HB ARG 105 -10.620 -10.846 -5.061 552 2HB ARG 105 3HB ARG 105 -11.775 -10.656 -6.366 553 1HG ARG 105 2HG ARG 105 -8.940 -11.384 -7.137 554 2HG ARG 105 3HG ARG 105 -9.824 -12.587 -6.219 555 1HD ARG 105 2HD ARG 105 -10.798 -11.372 -8.845 556 2HD ARG 105 3HD ARG 105 -9.921 -12.876 -8.677 557 HE ARG 105 HE ARG 105 -11.625 -13.965 -7.589 558 1HH1 ARG 105 2HH2 ARG 105 -12.666 -10.741 -8.587 559 2HH1 ARG 105 1HH2 ARG 105 -14.361 -11.051 -8.393 560 1HH2 ARG 105 1HH1 ARG 105 -13.852 -14.397 -7.271 561 2HH2 ARG 105 2HH1 ARG 105 -15.045 -13.188 -7.615 562 H GLU 106 H GLU 106 -10.840 -6.784 -6.953 563 HA GLU 106 HA GLU 106 -10.277 -5.803 -4.503 564 1HB GLU 106 2HB GLU 106 -12.004 -4.513 -6.664 565 2HB GLU 106 3HB GLU 106 -11.412 -3.680 -5.226 566 1HG GLU 106 2HG GLU 106 -9.035 -4.278 -6.043 567 2HG GLU 106 3HG GLU 106 -9.809 -4.607 -7.584 568 H GLY 107 H GLY 107 -11.503 -4.488 -2.974 569 1HA GLY 107 1HA GLY 107 -13.284 -4.176 -1.515 570 2HA GLY 107 2HA GLY 107 -14.269 -5.355 -2.390 571 H GLN 108 H GLN 108 -10.869 -5.760 -1.227 572 HA GLN 108 HA GLN 108 -11.734 -7.578 0.937 573 1HB GLN 108 2HB GLN 108 -9.955 -9.169 0.208 574 2HB GLN 108 3HB GLN 108 -11.300 -9.066 -0.940 575 1HG GLN 108 2HG GLN 108 -9.976 -7.601 -2.411 576 2HG GLN 108 3HG GLN 108 -8.674 -7.540 -1.231 577 1HE2 GLN 108 1HE2 GLN 108 -6.981 -8.661 -2.029 578 2HE2 GLN 108 2HE2 GLN 108 -7.116 -10.290 -2.677 579 H GLY 109 H GLY 109 -9.879 -7.972 2.437 580 1HA GLY 109 1HA GLY 109 -8.175 -5.535 2.668 581 2HA GLY 109 2HA GLY 109 -8.688 -6.565 3.989 582 H ILE 110 H ILE 110 -5.984 -5.690 2.550 583 HA ILE 110 HA ILE 110 -4.672 -8.333 2.733 584 HB ILE 110 HB ILE 110 -3.531 -8.158 0.649 585 1HG1 ILE 110 2HG1 ILE 110 -4.695 -6.515 -1.098 586 2HG1 ILE 110 3HG1 ILE 110 -4.944 -5.511 0.333 587 1HG2 ILE 110 1HG2 ILE 110 -6.494 -7.913 0.059 588 2HG2 ILE 110 2HG2 ILE 110 -5.252 -8.825 -0.828 589 3HG2 ILE 110 3HG2 ILE 110 -5.740 -9.343 0.784 590 1HD1 ILE 110 1HD1 ILE 110 -2.517 -5.453 0.728 591 2HD1 ILE 110 2HD1 ILE 110 -2.258 -6.709 -0.505 592 3HD1 ILE 110 3HD1 ILE 110 -2.814 -5.093 -0.979 593 H VAL 111 H VAL 111 -2.313 -8.083 2.820 594 HA VAL 111 HA VAL 111 -1.527 -5.396 3.869 595 HB VAL 111 HB VAL 111 0.183 -6.650 5.198 596 1HG1 VAL 111 1HG1 VAL 111 -1.402 -7.262 7.045 597 2HG1 VAL 111 2HG1 VAL 111 -1.687 -5.670 6.338 598 3HG1 VAL 111 3HG1 VAL 111 -2.754 -7.025 5.916 599 1HG2 VAL 111 1HG2 VAL 111 -0.053 -8.844 4.020 600 2HG2 VAL 111 2HG2 VAL 111 -0.185 -8.979 5.782 601 3HG2 VAL 111 3HG2 VAL 111 -1.647 -9.054 4.784 602 H ALA 112 H ALA 112 0.338 -4.574 3.087 603 HA ALA 112 HA ALA 112 1.808 -6.111 0.975 604 1HB ALA 112 1HB ALA 112 1.844 -4.214 -0.430 605 2HB ALA 112 2HB ALA 112 0.152 -4.367 0.085 606 3HB ALA 112 3HB ALA 112 1.199 -3.151 0.825 607 H GLN 113 H GLN 113 3.877 -6.390 1.621 608 HA GLN 113 HA GLN 113 5.088 -4.354 3.434 609 1HB GLN 113 2HB GLN 113 6.559 -6.855 2.998 610 2HB GLN 113 3HB GLN 113 6.357 -5.919 4.420 611 1HG GLN 113 2HG GLN 113 4.093 -6.862 4.772 612 2HG GLN 113 3HG GLN 113 4.238 -7.805 3.304 613 1HE2 GLN 113 1HE2 GLN 113 7.027 -8.787 3.532 614 2HE2 GLN 113 2HE2 GLN 113 6.862 -9.969 4.799 615 H GLY 114 H GLY 114 7.080 -3.417 2.900 616 1HA GLY 114 1HA GLY 114 8.932 -4.145 1.087 617 2HA GLY 114 2HA GLY 114 7.792 -3.288 0.056 618 H VAL 115 H VAL 115 8.682 -1.203 -0.229 619 HA VAL 115 HA VAL 115 9.799 0.093 2.192 620 HB VAL 115 HB VAL 115 11.569 -1.237 1.165 621 1HG1 VAL 115 1HG1 VAL 115 12.519 -0.678 -1.012 622 2HG1 VAL 115 2HG1 VAL 115 10.840 -1.200 -1.200 623 3HG1 VAL 115 3HG1 VAL 115 11.250 0.528 -1.296 624 1HG2 VAL 115 1HG2 VAL 115 13.291 0.454 1.033 625 2HG2 VAL 115 2HG2 VAL 115 12.081 1.731 0.868 626 3HG2 VAL 115 3HG2 VAL 115 12.184 0.783 2.365 627 H LEU 116 H LEU 116 9.752 2.227 2.234 628 HA LEU 116 HA LEU 116 7.989 3.600 0.330 629 1HB LEU 116 2HB LEU 116 9.640 4.403 2.750 630 2HB LEU 116 3HB LEU 116 9.006 5.643 1.659 631 HG LEU 116 HG LEU 116 7.641 5.212 3.684 632 1HD1 LEU 116 1HD1 LEU 116 5.519 5.274 2.456 633 2HD1 LEU 116 2HD1 LEU 116 6.736 6.364 1.735 634 3HD1 LEU 116 3HD1 LEU 116 6.340 4.831 0.955 635 1HD2 LEU 116 1HD2 LEU 116 6.196 3.316 3.785 636 2HD2 LEU 116 2HD2 LEU 116 6.808 2.650 2.259 637 3HD2 LEU 116 3HD2 LEU 116 7.867 2.725 3.689 638 H GLY 117 H GLY 117 8.634 5.519 -0.914 639 1HA GLY 117 1HA GLY 117 11.379 6.270 -0.997 640 2HA GLY 117 2HA GLY 117 11.027 5.321 -2.462 641 H GLU 118 H GLU 118 8.487 6.126 -3.126 642 HA GLU 118 HA GLU 118 8.931 8.815 -4.100 643 1HB GLU 118 2HB GLU 118 7.651 7.142 -5.379 644 2HB GLU 118 3HB GLU 118 6.434 7.060 -4.091 645 1HG GLU 118 2HG GLU 118 5.876 9.407 -4.425 646 2HG GLU 118 3HG GLU 118 7.209 9.607 -5.564 647 H ASP 119 H ASP 119 8.134 10.692 -3.278 648 HA ASP 119 HA ASP 119 7.816 10.984 -0.570 649 1HB ASP 119 2HB ASP 119 7.280 12.995 -2.813 650 2HB ASP 119 3HB ASP 119 7.651 13.389 -1.130 651 H GLY 120 H GLY 120 5.986 9.487 -0.673 652 1HA GLY 120 1HA GLY 120 3.811 9.882 0.653 653 2HA GLY 120 2HA GLY 120 3.263 10.789 -0.756 654 H LYS 121 H LYS 121 5.167 8.008 -1.698 655 HA LYS 121 HA LYS 121 2.795 6.256 -1.782 656 1HB LYS 121 2HB LYS 121 4.163 7.476 -4.153 657 2HB LYS 121 3HB LYS 121 3.870 5.742 -4.230 658 1HG LYS 121 2HG LYS 121 1.924 6.394 -5.148 659 2HG LYS 121 3HG LYS 121 1.435 6.392 -3.468 660 1HD LYS 121 2HD LYS 121 0.554 8.441 -4.170 661 2HD LYS 121 3HD LYS 121 2.078 8.902 -3.434 662 1HE LYS 121 2HE LYS 121 1.911 10.127 -5.473 663 2HE LYS 121 3HE LYS 121 3.146 8.888 -5.663 664 1HZ LYS 121 1HZ LYS 121 1.819 9.039 -7.574 665 2HZ LYS 121 2HZ LYS 121 1.680 7.558 -6.900 666 3HZ LYS 121 3HZ LYS 121 0.446 8.654 -6.736 667 H LEU 122 H LEU 122 3.305 4.039 -2.157 668 HA LEU 122 HA LEU 122 5.917 3.388 -0.845 669 1HB LEU 122 2HB LEU 122 3.260 1.920 -0.495 670 2HB LEU 122 3HB LEU 122 4.739 1.788 0.449 671 HG LEU 122 HG LEU 122 4.142 4.433 0.876 672 1HD1 LEU 122 1HD1 LEU 122 1.452 3.110 0.529 673 2HD1 LEU 122 2HD1 LEU 122 1.773 4.698 1.271 674 3HD1 LEU 122 3HD1 LEU 122 2.093 4.448 -0.442 675 1HD2 LEU 122 1HD2 LEU 122 4.448 2.494 2.564 676 2HD2 LEU 122 2HD2 LEU 122 3.303 3.758 3.026 677 3HD2 LEU 122 3HD2 LEU 122 2.713 2.205 2.389 678 H ALA 123 H ALA 123 7.083 1.598 -1.678 679 HA ALA 123 HA ALA 123 5.897 0.262 -4.075 680 1HB ALA 123 1HB ALA 123 8.241 -0.303 -4.586 681 2HB ALA 123 2HB ALA 123 8.004 1.453 -4.476 682 3HB ALA 123 3HB ALA 123 8.786 0.580 -3.143 683 H ALA 124 H ALA 124 4.770 -1.476 -3.258 684 HA ALA 124 HA ALA 124 6.043 -3.042 -1.022 685 1HB ALA 124 1HB ALA 124 3.932 -3.201 0.054 686 2HB ALA 124 2HB ALA 124 4.344 -1.495 -0.184 687 3HB ALA 124 3HB ALA 124 3.144 -2.273 -1.242 688 H THR 125 H THR 125 6.853 -4.563 -2.581 689 HA THR 125 HA THR 125 4.919 -5.895 -4.242 690 HB THR 125 HB THR 125 7.101 -5.413 -5.118 691 HG1 THR 125 1HG THR 125 5.865 -7.143 -5.972 692 1HG2 THR 125 1HG2 THR 125 8.120 -7.616 -3.262 693 2HG2 THR 125 2HG2 THR 125 9.034 -6.769 -4.520 694 3HG2 THR 125 3HG2 THR 125 8.491 -5.885 -3.083 695 H GLU 126 H GLU 126 6.094 -6.513 -0.979 696 HA GLU 126 HA GLU 126 5.697 -9.440 -1.165 697 1HB GLU 126 2HB GLU 126 6.120 -7.604 1.156 698 2HB GLU 126 3HB GLU 126 6.260 -9.358 1.234 699 1HG GLU 126 2HG GLU 126 8.364 -9.292 0.081 700 2HG GLU 126 3HG GLU 126 8.106 -7.630 -0.480 701 H VAL 127 H VAL 127 3.364 -9.034 -1.964 702 HA VAL 127 HA VAL 127 1.556 -8.070 0.176 703 HB VAL 127 HB VAL 127 -0.238 -8.221 -1.391 704 1HG1 VAL 127 1HG1 VAL 127 0.687 -6.137 -1.242 705 2HG1 VAL 127 2HG1 VAL 127 2.258 -6.585 -1.907 706 3HG1 VAL 127 3HG1 VAL 127 0.867 -6.389 -2.977 707 1HG2 VAL 127 1HG2 VAL 127 0.275 -8.568 -3.819 708 2HG2 VAL 127 2HG2 VAL 127 1.864 -9.222 -3.372 709 3HG2 VAL 127 3HG2 VAL 127 0.380 -10.030 -2.849 710 H LEU 128 H LEU 128 0.294 -9.213 1.439 711 HA LEU 128 HA LEU 128 0.054 -12.150 0.937 712 1HB LEU 128 2HB LEU 128 0.069 -11.014 3.714 713 2HB LEU 128 3HB LEU 128 0.217 -12.672 3.175 714 HG LEU 128 HG LEU 128 2.271 -12.178 4.027 715 1HD1 LEU 128 1HD1 LEU 128 2.400 -13.026 1.590 716 2HD1 LEU 128 2HD1 LEU 128 3.021 -11.398 1.220 717 3HD1 LEU 128 3HD1 LEU 128 3.866 -12.413 2.377 718 1HD2 LEU 128 1HD2 LEU 128 3.606 -10.154 3.587 719 2HD2 LEU 128 2HD2 LEU 128 2.234 -9.429 2.739 720 3HD2 LEU 128 3HD2 LEU 128 2.098 -9.837 4.458 721 H ALA 129 H ALA 129 -2.021 -12.689 0.681 722 HA ALA 129 HA ALA 129 -4.178 -10.806 1.454 723 1HB ALA 129 1HB ALA 129 -5.550 -12.265 -0.015 724 2HB ALA 129 2HB ALA 129 -4.168 -11.543 -0.859 725 3HB ALA 129 3HB ALA 129 -4.119 -13.252 -0.359 726 H LYS 130 H LYS 130 -5.314 -11.223 3.293 727 HA LYS 130 HA LYS 130 -5.702 -13.950 4.287 728 1HB LYS 130 2HB LYS 130 -4.708 -13.438 6.503 729 2HB LYS 130 3HB LYS 130 -3.560 -13.607 5.178 730 1HG LYS 130 2HG LYS 130 -3.397 -11.073 5.041 731 2HG LYS 130 3HG LYS 130 -4.533 -10.970 6.391 732 1HD LYS 130 2HD LYS 130 -2.423 -10.731 7.388 733 2HD LYS 130 3HD LYS 130 -2.910 -12.402 7.738 734 1HE LYS 130 2HE LYS 130 -1.538 -13.074 5.631 735 2HE LYS 130 3HE LYS 130 -1.001 -11.399 5.579 736 1HZ LYS 130 1HZ LYS 130 0.576 -12.820 6.691 737 2HZ LYS 130 2HZ LYS 130 -0.024 -11.726 7.766 738 3HZ LYS 130 3HZ LYS 130 -0.545 -13.289 7.797 739 H HIS 131 H HID 131 -7.653 -12.752 3.352 740 HA HIS 131 HA HID 131 -9.114 -11.198 5.453 741 1HB HIS 131 2HB HID 131 -10.645 -10.680 3.492 742 2HB HIS 131 3HB HID 131 -9.095 -9.866 3.577 743 HD1 HIS 131 1HD HID 131 -11.083 -12.093 1.306 744 HD2 HIS 131 2HD HID 131 -7.072 -10.951 1.878 745 HE1 HIS 131 1HE HID 131 -9.833 -12.674 -0.852 746 H ASP 132 H ASP 132 -9.632 -12.981 6.680 747 HA ASP 132 HA ASP 132 -10.643 -15.446 5.881 748 1HB ASP 132 2HB ASP 132 -9.923 -14.779 8.180 749 2HB ASP 132 3HB ASP 132 -11.396 -13.802 8.346 Start of MODEL 6 1 H SER 32 H SER 32 18.091 -7.104 10.071 2 HA SER 32 HA SER 32 16.268 -7.184 11.415 3 1HB SER 32 2HB SER 32 17.996 -5.516 13.286 4 2HB SER 32 3HB SER 32 16.629 -6.540 13.742 5 HG SER 32 HG SER 32 17.801 -8.344 12.970 6 H ASN 33 H ASN 33 15.975 -5.299 9.462 7 HA ASN 33 HA ASN 33 14.850 -2.796 10.279 8 1HB ASN 33 2HB ASN 33 14.741 -4.593 7.899 9 2HB ASN 33 3HB ASN 33 13.242 -3.729 8.188 10 1HD2 ASN 33 1HD2 ASN 33 16.844 -2.878 8.104 11 2HD2 ASN 33 2HD2 ASN 33 16.508 -1.390 7.270 12 H LEU 34 H LEU 34 13.080 -2.452 11.606 13 HA LEU 34 HA LEU 34 11.245 -4.609 12.292 14 1HB LEU 34 2HB LEU 34 11.104 -1.594 12.751 15 2HB LEU 34 3HB LEU 34 9.858 -2.748 13.221 16 HG LEU 34 HG LEU 34 11.922 -4.002 14.402 17 1HD1 LEU 34 1HD1 LEU 34 13.425 -2.368 15.470 18 2HD1 LEU 34 2HD1 LEU 34 13.638 -2.333 13.715 19 3HD1 LEU 34 3HD1 LEU 34 12.705 -1.053 14.523 20 1HD2 LEU 34 1HD2 LEU 34 11.257 -2.884 16.493 21 2HD2 LEU 34 2HD2 LEU 34 10.430 -1.617 15.562 22 3HD2 LEU 34 3HD2 LEU 34 9.851 -3.297 15.501 23 H ASN 35 H ASN 35 9.188 -4.948 11.480 24 HA ASN 35 HA ASN 35 8.165 -3.395 9.171 25 1HB ASN 35 2HB ASN 35 9.500 -6.090 9.046 26 2HB ASN 35 3HB ASN 35 7.937 -5.996 8.253 27 1HD2 ASN 35 1HD2 ASN 35 7.558 -4.443 6.528 28 2HD2 ASN 35 2HD2 ASN 35 8.921 -4.104 5.495 29 H LEU 36 H LEU 36 6.062 -3.042 9.984 30 HA LEU 36 HA LEU 36 4.517 -5.394 10.840 31 1HB LEU 36 2HB LEU 36 3.764 -4.468 12.859 32 2HB LEU 36 3HB LEU 36 5.522 -4.482 12.931 33 HG LEU 36 HG LEU 36 3.857 -2.001 12.238 34 1HD1 LEU 36 1HD1 LEU 36 5.007 -2.863 14.914 35 2HD1 LEU 36 2HD1 LEU 36 4.214 -1.311 14.559 36 3HD1 LEU 36 3HD1 LEU 36 3.285 -2.814 14.472 37 1HD2 LEU 36 1HD2 LEU 36 6.159 -1.692 11.495 38 2HD2 LEU 36 2HD2 LEU 36 5.952 -0.809 13.000 39 3HD2 LEU 36 3HD2 LEU 36 6.788 -2.374 13.015 40 H PHE 37 H PHE 37 2.217 -4.894 11.082 41 HA PHE 37 HA PHE 37 1.334 -3.414 8.736 42 1HB PHE 37 2HB PHE 37 -0.193 -5.132 10.715 43 2HB PHE 37 3HB PHE 37 -0.811 -4.511 9.196 44 HD1 PHE 37 1HD PHE 37 0.420 -5.181 7.016 45 HD2 PHE 37 2HD PHE 37 0.807 -7.340 10.725 46 HE1 PHE 37 1HE PHE 37 1.281 -7.153 5.779 47 HE2 PHE 37 2HE PHE 37 1.575 -9.338 9.479 48 HZ PHE 37 HZ PHE 37 1.827 -9.247 6.991 49 H TYR 38 H TYR 38 0.632 -1.387 8.746 50 HA TYR 38 HA TYR 38 -0.654 -0.266 11.200 51 1HB TYR 38 2HB TYR 38 1.790 0.517 9.843 52 2HB TYR 38 3HB TYR 38 0.607 1.787 9.623 53 HD1 TYR 38 HD1 TYR 38 -0.540 2.799 11.675 54 HD2 TYR 38 HD2 TYR 38 2.893 0.204 11.956 55 HE1 TYR 38 HE1 TYR 38 -0.077 3.641 13.967 56 HE2 TYR 38 HE2 TYR 38 3.416 1.137 14.188 57 HH TYR 38 HH TYR 38 2.761 2.623 15.854 58 H THR 39 H THR 39 -2.189 1.488 10.798 59 HA THR 39 HA THR 39 -3.879 0.787 8.576 60 HB THR 39 HB THR 39 -4.601 1.214 10.954 61 HG1 THR 39 1HG THR 39 -6.243 2.473 9.083 62 1HG2 THR 39 1HG2 THR 39 -3.670 3.470 11.154 63 2HG2 THR 39 2HG2 THR 39 -4.752 4.022 9.850 64 3HG2 THR 39 3HG2 THR 39 -5.434 3.464 11.388 65 HA PRO 40 HA PRO 40 -2.430 3.805 5.759 66 1HB PRO 40 2HB PRO 40 -4.680 4.340 4.210 67 2HB PRO 40 3HB PRO 40 -3.538 2.986 4.024 68 1HG PRO 40 2HG PRO 40 -6.178 2.988 5.468 69 2HG PRO 40 3HG PRO 40 -5.520 1.741 4.380 70 1HD PRO 40 2HD PRO 40 -5.430 1.474 7.063 71 2HD PRO 40 3HD PRO 40 -4.032 0.970 6.067 72 H SER 41 H SER 41 -5.460 4.718 7.580 73 HA SER 41 HA SER 41 -5.266 7.501 7.047 74 1HB SER 41 2HB SER 41 -7.188 6.439 8.134 75 2HB SER 41 3HB SER 41 -6.233 6.163 9.604 76 HG SER 41 HG SER 41 -6.014 8.477 9.691 77 H GLU 42 H GLU 42 -3.239 5.474 9.110 78 HA GLU 42 HA GLU 42 -2.203 7.649 10.700 79 1HB GLU 42 2HB GLU 42 -2.054 4.919 10.914 80 2HB GLU 42 3HB GLU 42 -0.501 5.231 10.157 81 1HG GLU 42 2HG GLU 42 -0.076 5.326 12.421 82 2HG GLU 42 3HG GLU 42 -0.230 7.070 12.014 83 H ILE 43 H ILE 43 -1.019 5.772 7.902 84 HA ILE 43 HA ILE 43 1.310 7.453 7.536 85 HB ILE 43 HB ILE 43 1.778 6.000 5.587 86 1HG1 ILE 43 2HG1 ILE 43 -0.412 4.203 6.639 87 2HG1 ILE 43 3HG1 ILE 43 -0.711 5.362 5.316 88 1HG2 ILE 43 1HG2 ILE 43 2.740 5.679 7.825 89 2HG2 ILE 43 2HG2 ILE 43 1.361 4.654 8.283 90 3HG2 ILE 43 3HG2 ILE 43 2.476 4.142 7.004 91 1HD1 ILE 43 1HD1 ILE 43 -0.169 3.189 4.399 92 2HD1 ILE 43 2HD1 ILE 43 1.078 4.368 3.988 93 3HD1 ILE 43 3HD1 ILE 43 1.383 3.156 5.257 94 H VAL 44 H VAL 44 -0.984 8.984 7.385 95 HA VAL 44 HA VAL 44 -0.584 10.251 4.730 96 HB VAL 44 HB VAL 44 -3.166 9.763 6.272 97 1HG1 VAL 44 1HG1 VAL 44 -3.247 12.173 5.653 98 2HG1 VAL 44 2HG1 VAL 44 -2.760 11.760 3.993 99 3HG1 VAL 44 3HG1 VAL 44 -4.323 11.205 4.625 100 1HG2 VAL 44 1HG2 VAL 44 -2.348 8.129 4.507 101 2HG2 VAL 44 2HG2 VAL 44 -3.970 8.806 4.391 102 3HG2 VAL 44 3HG2 VAL 44 -2.676 9.437 3.339 103 H ASN 45 H ASN 45 -2.117 10.749 7.870 104 HA ASN 45 HA ASN 45 -1.538 13.533 7.915 105 1HB ASN 45 2HB ASN 45 -2.758 11.759 10.077 106 2HB ASN 45 3HB ASN 45 -2.858 13.520 9.952 107 1HD2 ASN 45 1HD2 ASN 45 -4.103 10.405 8.648 108 2HD2 ASN 45 2HD2 ASN 45 -5.347 11.182 7.697 109 H GLY 46 H GLY 46 0.610 14.015 8.210 110 1HA GLY 46 1HA GLY 46 2.415 14.616 9.533 111 2HA GLY 46 2HA GLY 46 1.585 13.968 10.956 112 H LYS 47 H LYS 47 2.210 12.217 7.969 113 HA LYS 47 HA LYS 47 4.347 10.604 9.091 114 1HB LYS 47 2HB LYS 47 1.685 9.495 8.207 115 2HB LYS 47 3HB LYS 47 3.175 8.521 8.377 116 1HG LYS 47 2HG LYS 47 3.229 9.748 10.759 117 2HG LYS 47 3HG LYS 47 1.484 9.828 10.503 118 1HD LYS 47 2HD LYS 47 1.329 7.425 10.478 119 2HD LYS 47 3HD LYS 47 3.070 7.225 10.230 120 1HE LYS 47 2HE LYS 47 3.570 8.232 12.376 121 2HE LYS 47 3HE LYS 47 1.859 8.540 12.709 122 1HZ LYS 47 1HZ LYS 47 1.433 6.263 12.883 123 2HZ LYS 47 2HZ LYS 47 2.926 5.813 12.351 124 3HZ LYS 47 3HZ LYS 47 2.734 6.537 13.818 125 H THR 48 H THR 48 2.794 9.225 6.335 126 HA THR 48 HA THR 48 5.112 9.720 4.798 127 HB THR 48 HB THR 48 2.429 8.605 3.928 128 HG1 THR 48 1HG THR 48 3.447 6.634 4.513 129 1HG2 THR 48 1HG2 THR 48 3.628 8.978 1.983 130 2HG2 THR 48 2HG2 THR 48 5.171 8.496 2.686 131 3HG2 THR 48 3HG2 THR 48 3.906 7.277 2.343 132 H ASP 49 H ASP 49 1.697 10.799 4.238 133 HA ASP 49 HA ASP 49 2.248 12.184 1.841 134 1HB ASP 49 2HB ASP 49 0.016 11.417 2.832 135 2HB ASP 49 3HB ASP 49 0.040 12.894 3.817 136 H THR 50 H THR 50 2.013 13.365 5.211 137 HA THR 50 HA THR 50 2.968 15.997 4.627 138 HB THR 50 HB THR 50 3.397 14.679 7.302 139 HG1 THR 50 1HG THR 50 0.943 15.137 5.996 140 1HG2 THR 50 1HG2 THR 50 3.847 17.137 6.925 141 2HG2 THR 50 2HG2 THR 50 2.146 17.344 6.480 142 3HG2 THR 50 3HG2 THR 50 2.575 16.836 8.128 143 H GLY 51 H GLY 51 4.663 12.941 5.410 144 1HA GLY 51 1HA GLY 51 6.814 12.316 5.185 145 2HA GLY 51 2HA GLY 51 7.128 13.814 4.307 146 H VAL 52 H VAL 52 6.078 13.175 7.715 147 HA VAL 52 HA VAL 52 8.415 14.899 8.575 148 HB VAL 52 HB VAL 52 7.170 15.762 10.388 149 1HG1 VAL 52 1HG1 VAL 52 7.232 16.895 8.185 150 2HG1 VAL 52 2HG1 VAL 52 5.733 16.068 7.728 151 3HG1 VAL 52 3HG1 VAL 52 5.733 17.232 9.066 152 1HG2 VAL 52 1HG2 VAL 52 5.491 14.153 10.980 153 2HG2 VAL 52 2HG2 VAL 52 4.639 15.553 10.346 154 3HG2 VAL 52 3HG2 VAL 52 4.853 14.127 9.313 155 H LYS 53 H LYS 53 6.372 12.500 10.313 156 HA LYS 53 HA LYS 53 8.575 12.090 12.137 157 1HB LYS 53 2HB LYS 53 5.751 11.196 11.877 158 2HB LYS 53 3HB LYS 53 6.828 10.128 12.801 159 1HG LYS 53 2HG LYS 53 7.288 11.738 14.404 160 2HG LYS 53 3HG LYS 53 6.829 13.102 13.364 161 1HD LYS 53 2HD LYS 53 4.553 12.741 13.565 162 2HD LYS 53 3HD LYS 53 4.735 11.040 14.044 163 1HE LYS 53 2HE LYS 53 5.645 11.660 16.223 164 2HE LYS 53 3HE LYS 53 5.591 13.383 15.813 165 1HZ LYS 53 1HZ LYS 53 3.732 12.675 17.176 166 2HZ LYS 53 2HZ LYS 53 3.210 13.241 15.724 167 3HZ LYS 53 3HZ LYS 53 3.230 11.622 16.020 168 HA PRO 54 HA PRO 54 9.373 7.952 10.151 169 1HB PRO 54 2HB PRO 54 7.834 6.806 8.228 170 2HB PRO 54 3HB PRO 54 7.347 6.782 9.949 171 1HG PRO 54 2HG PRO 54 6.355 8.618 7.761 172 2HG PRO 54 3HG PRO 54 5.422 7.806 9.042 173 1HD PRO 54 2HD PRO 54 6.438 10.446 9.123 174 2HD PRO 54 3HD PRO 54 5.917 9.473 10.554 175 H GLU 55 H GLU 55 11.222 8.714 9.033 176 HA GLU 55 HA GLU 55 11.074 10.407 6.741 177 1HB GLU 55 2HB GLU 55 13.313 8.555 7.687 178 2HB GLU 55 3HB GLU 55 13.445 9.803 6.440 179 1HG GLU 55 2HG GLU 55 12.693 11.508 8.167 180 2HG GLU 55 3HG GLU 55 12.857 10.249 9.401 181 H ALA 56 H ALA 56 11.372 9.877 4.570 182 HA ALA 56 HA ALA 56 10.031 7.544 3.604 183 1HB ALA 56 1HB ALA 56 11.825 9.596 2.249 184 2HB ALA 56 2HB ALA 56 10.831 8.397 1.382 185 3HB ALA 56 3HB ALA 56 10.054 9.643 2.384 186 H GLY 57 H GLY 57 11.068 5.968 2.050 187 1HA GLY 57 1HA GLY 57 12.635 4.382 1.529 188 2HA GLY 57 2HA GLY 57 13.882 5.378 2.284 189 H GLN 58 H GLN 58 11.183 4.602 4.332 190 HA GLN 58 HA GLN 58 12.784 2.580 5.846 191 1HB GLN 58 2HB GLN 58 10.381 4.309 6.529 192 2HB GLN 58 3HB GLN 58 10.857 2.911 7.501 193 1HG GLN 58 2HG GLN 58 13.117 3.870 7.835 194 2HG GLN 58 3HG GLN 58 12.619 5.332 6.960 195 1HE2 GLN 58 1HE2 GLN 58 10.596 6.416 7.812 196 2HE2 GLN 58 2HE2 GLN 58 10.263 6.291 9.553 197 H ARG 59 H ARG 59 11.651 0.657 6.564 198 HA ARG 59 HA ARG 59 9.661 -0.309 4.589 199 1HB ARG 59 2HB ARG 59 11.597 -1.756 6.431 200 2HB ARG 59 3HB ARG 59 10.229 -2.536 5.635 201 1HG ARG 59 2HG ARG 59 11.017 -1.821 3.428 202 2HG ARG 59 3HG ARG 59 12.461 -1.097 4.144 203 1HD ARG 59 2HD ARG 59 11.712 -4.020 4.608 204 2HD ARG 59 3HD ARG 59 12.555 -3.498 3.132 205 HE ARG 59 HE ARG 59 13.887 -2.466 5.461 206 1HH1 ARG 59 2HH2 ARG 59 13.237 -5.564 3.971 207 2HH1 ARG 59 1HH2 ARG 59 14.830 -6.228 4.173 208 1HH2 ARG 59 1HH1 ARG 59 16.131 -3.234 5.625 209 2HH2 ARG 59 2HH1 ARG 59 16.519 -4.846 5.145 210 H ILE 60 H ILE 60 7.667 -0.910 5.179 211 HA ILE 60 HA ILE 60 6.902 -1.396 7.922 212 HB ILE 60 HB ILE 60 5.074 0.196 8.018 213 1HG1 ILE 60 2HG1 ILE 60 6.144 1.442 5.456 214 2HG1 ILE 60 3HG1 ILE 60 4.683 0.457 5.564 215 1HG2 ILE 60 1HG2 ILE 60 7.296 0.833 8.970 216 2HG2 ILE 60 2HG2 ILE 60 7.607 1.798 7.506 217 3HG2 ILE 60 3HG2 ILE 60 6.258 2.198 8.584 218 1HD1 ILE 60 1HD1 ILE 60 4.017 2.746 5.566 219 2HD1 ILE 60 2HD1 ILE 60 3.683 2.046 7.163 220 3HD1 ILE 60 3HD1 ILE 60 5.070 3.136 6.933 221 H ARG 61 H ARG 61 4.277 -1.907 7.762 222 HA ARG 61 HA ARG 61 3.683 -2.770 5.006 223 1HB ARG 61 2HB ARG 61 2.523 -4.270 7.295 224 2HB ARG 61 3HB ARG 61 2.858 -4.822 5.663 225 1HG ARG 61 2HG ARG 61 5.324 -4.833 6.368 226 2HG ARG 61 3HG ARG 61 4.815 -4.394 7.974 227 1HD ARG 61 2HD ARG 61 3.329 -6.448 7.978 228 2HD ARG 61 3HD ARG 61 4.212 -6.995 6.535 229 HE ARG 61 HE ARG 61 5.716 -6.221 8.995 230 1HH1 ARG 61 2HH2 ARG 61 4.368 -8.941 7.206 231 2HH1 ARG 61 1HH2 ARG 61 5.175 -10.141 8.172 232 1HH2 ARG 61 1HH1 ARG 61 6.707 -7.683 10.264 233 2HH2 ARG 61 2HH1 ARG 61 6.563 -9.405 9.997 234 H VAL 62 H VAL 62 1.742 -2.014 4.287 235 HA VAL 62 HA VAL 62 0.123 -0.353 6.172 236 HB VAL 62 HB VAL 62 0.767 0.882 4.243 237 1HG1 VAL 62 1HG1 VAL 62 -0.494 -1.268 2.506 238 2HG1 VAL 62 2HG1 VAL 62 0.125 0.298 1.954 239 3HG1 VAL 62 3HG1 VAL 62 1.248 -0.895 2.606 240 1HG2 VAL 62 1HG2 VAL 62 -1.431 1.531 3.379 241 2HG2 VAL 62 2HG2 VAL 62 -2.147 0.014 3.926 242 3HG2 VAL 62 3HG2 VAL 62 -1.548 1.189 5.118 243 H GLY 63 H GLY 63 -1.987 -1.034 6.665 244 1HA GLY 63 1HA GLY 63 -3.098 -3.339 5.144 245 2HA GLY 63 2HA GLY 63 -2.909 -3.452 6.909 246 H GLY 64 H GLY 64 -5.180 -2.946 4.599 247 1HA GLY 64 1HA GLY 64 -7.042 -1.541 6.257 248 2HA GLY 64 2HA GLY 64 -6.399 -0.485 4.976 249 H MET 65 H MET 65 -8.622 -0.526 4.044 250 HA MET 65 HA MET 65 -9.364 -3.144 2.820 251 1HB MET 65 2HB MET 65 -11.626 -2.327 2.652 252 2HB MET 65 3HB MET 65 -11.089 -2.490 4.316 253 1HG MET 65 2HG MET 65 -10.604 0.245 3.380 254 2HG MET 65 3HG MET 65 -12.254 -0.253 3.042 255 1HE MET 65 1HE MET 65 -10.522 -0.169 7.318 256 2HE MET 65 2HE MET 65 -10.108 -1.455 6.172 257 3HE MET 65 3HE MET 65 -9.568 0.219 5.873 258 H VAL 66 H VAL 66 -9.574 -3.308 0.645 259 HA VAL 66 HA VAL 66 -8.593 -0.956 -0.879 260 HB VAL 66 HB VAL 66 -8.037 -2.354 -2.554 261 1HG1 VAL 66 1HG1 VAL 66 -6.634 -2.821 -0.558 262 2HG1 VAL 66 2HG1 VAL 66 -7.732 -4.138 -0.074 263 3HG1 VAL 66 3HG1 VAL 66 -6.832 -4.263 -1.571 264 1HG2 VAL 66 1HG2 VAL 66 -9.973 -4.443 -1.556 265 2HG2 VAL 66 2HG2 VAL 66 -9.991 -3.543 -3.089 266 3HG2 VAL 66 3HG2 VAL 66 -8.716 -4.737 -2.771 267 H THR 67 H THR 67 -9.763 -0.103 -2.688 268 HA THR 67 HA THR 67 -12.685 -0.273 -2.516 269 HB THR 67 HB THR 67 -10.667 1.541 -3.837 270 HG1 THR 67 1HG THR 67 -11.750 3.031 -2.568 271 1HG2 THR 67 1HG2 THR 67 -13.671 1.531 -4.379 272 2HG2 THR 67 2HG2 THR 67 -12.561 2.861 -4.772 273 3HG2 THR 67 3HG2 THR 67 -12.366 1.308 -5.576 274 H VAL 68 H VAL 68 -13.924 -0.967 -4.143 275 HA VAL 68 HA VAL 68 -13.286 -3.200 -5.635 276 HB VAL 68 HB VAL 68 -15.527 -2.614 -5.076 277 1HG1 VAL 68 1HG1 VAL 68 -16.869 -0.949 -6.132 278 2HG1 VAL 68 2HG1 VAL 68 -15.444 -0.123 -5.494 279 3HG1 VAL 68 3HG1 VAL 68 -15.581 -0.469 -7.234 280 1HG2 VAL 68 1HG2 VAL 68 -15.144 -4.160 -6.964 281 2HG2 VAL 68 2HG2 VAL 68 -16.655 -3.250 -7.139 282 3HG2 VAL 68 3HG2 VAL 68 -15.238 -2.801 -8.103 283 H GLY 69 H GLY 69 -13.563 0.122 -6.995 284 1HA GLY 69 1HA GLY 69 -12.101 -0.738 -9.459 285 2HA GLY 69 2HA GLY 69 -13.074 0.719 -9.235 286 H SER 70 H SER 70 -10.138 -0.878 -7.869 287 HA SER 70 HA SER 70 -8.649 1.670 -8.098 288 1HB SER 70 2HB SER 70 -9.343 0.378 -5.434 289 2HB SER 70 3HB SER 70 -8.011 1.508 -5.628 290 HG SER 70 HG SER 70 -10.190 2.497 -6.843 291 H MET 71 H MET 71 -8.215 -0.544 -9.592 292 HA MET 71 HA MET 71 -5.443 -0.973 -8.781 293 1HB MET 71 2HB MET 71 -7.025 -3.056 -8.252 294 2HB MET 71 3HB MET 71 -6.981 -3.293 -9.989 295 1HG MET 71 2HG MET 71 -4.259 -2.864 -9.174 296 2HG MET 71 3HG MET 71 -4.999 -3.862 -7.933 297 1HE MET 71 1HE MET 71 -3.682 -3.559 -11.500 298 2HE MET 71 2HE MET 71 -4.385 -4.969 -12.336 299 3HE MET 71 3HE MET 71 -5.434 -3.618 -11.840 300 H VAL 72 H VAL 72 -4.159 -0.534 -10.584 301 HA VAL 72 HA VAL 72 -5.333 -0.886 -13.274 302 HB VAL 72 HB VAL 72 -4.428 1.243 -14.067 303 1HG1 VAL 72 1HG1 VAL 72 -6.370 1.693 -11.761 304 2HG1 VAL 72 2HG1 VAL 72 -6.148 2.714 -13.192 305 3HG1 VAL 72 3HG1 VAL 72 -6.813 1.083 -13.371 306 1HG2 VAL 72 1HG2 VAL 72 -3.844 3.052 -12.462 307 2HG2 VAL 72 2HG2 VAL 72 -3.854 1.865 -11.144 308 3HG2 VAL 72 3HG2 VAL 72 -2.679 1.724 -12.484 309 H ARG 73 H ARG 73 -3.748 -1.435 -14.831 310 HA ARG 73 HA ARG 73 -1.120 -2.185 -13.690 311 1HB ARG 73 2HB ARG 73 -1.269 -4.337 -14.861 312 2HB ARG 73 3HB ARG 73 -2.548 -4.172 -13.644 313 1HG ARG 73 2HG ARG 73 -4.183 -3.663 -15.436 314 2HG ARG 73 3HG ARG 73 -2.897 -3.833 -16.656 315 1HD ARG 73 2HD ARG 73 -2.507 -6.163 -15.959 316 2HD ARG 73 3HD ARG 73 -3.743 -5.991 -14.686 317 HE ARG 73 HE ARG 73 -4.765 -5.358 -17.321 318 1HH1 ARG 73 2HH2 ARG 73 -3.924 -8.072 -15.236 319 2HH1 ARG 73 1HH2 ARG 73 -5.116 -9.160 -15.874 320 1HH2 ARG 73 1HH1 ARG 73 -6.354 -6.783 -18.229 321 2HH2 ARG 73 2HH1 ARG 73 -6.509 -8.409 -17.646 322 H ASP 74 H ASP 74 0.627 -2.282 -15.194 323 HA ASP 74 HA ASP 74 0.314 -0.527 -17.484 324 1HB ASP 74 2HB ASP 74 2.538 -2.162 -16.220 325 2HB ASP 74 3HB ASP 74 2.727 -1.546 -17.857 326 HA PRO 75 HA PRO 75 -0.157 -3.892 -20.509 327 1HB PRO 75 2HB PRO 75 0.983 -2.771 -22.746 328 2HB PRO 75 3HB PRO 75 -0.583 -2.181 -22.114 329 1HG PRO 75 2HG PRO 75 2.173 -1.026 -21.573 330 2HG PRO 75 3HG PRO 75 0.713 -0.149 -22.109 331 1HD PRO 75 2HD PRO 75 1.446 -0.251 -19.494 332 2HD PRO 75 3HD PRO 75 -0.278 -0.317 -19.954 333 H ASN 76 H ASN 76 2.865 -2.389 -19.660 334 HA ASN 76 HA ASN 76 4.721 -4.323 -20.471 335 1HB ASN 76 2HB ASN 76 4.567 -2.932 -17.750 336 2HB ASN 76 3HB ASN 76 5.975 -3.715 -18.481 337 1HD2 ASN 76 1HD2 ASN 76 4.612 -0.549 -18.053 338 2HD2 ASN 76 2HD2 ASN 76 5.471 0.115 -19.402 339 H SER 77 H SER 77 2.055 -4.602 -18.147 340 HA SER 77 HA SER 77 1.153 -6.324 -17.073 341 1HB SER 77 2HB SER 77 2.793 -8.104 -18.931 342 2HB SER 77 3HB SER 77 1.352 -8.555 -18.019 343 HG SER 77 HG SER 77 1.482 -6.547 -20.047 344 H LEU 78 H LEU 78 3.626 -5.192 -16.171 345 HA LEU 78 HA LEU 78 4.483 -7.188 -14.157 346 1HB LEU 78 2HB LEU 78 6.757 -6.210 -14.208 347 2HB LEU 78 3HB LEU 78 6.244 -7.355 -15.435 348 HG LEU 78 HG LEU 78 5.624 -4.984 -16.714 349 1HD1 LEU 78 1HD1 LEU 78 6.612 -3.757 -14.822 350 2HD1 LEU 78 2HD1 LEU 78 8.190 -4.462 -15.219 351 3HD1 LEU 78 3HD1 LEU 78 7.356 -3.411 -16.402 352 1HD2 LEU 78 1HD2 LEU 78 8.226 -6.511 -16.777 353 2HD2 LEU 78 2HD2 LEU 78 6.716 -6.933 -17.623 354 3HD2 LEU 78 3HD2 LEU 78 7.579 -5.446 -18.061 355 H HIS 79 H HID 79 4.131 -3.675 -14.996 356 HA HIS 79 HA HID 79 4.374 -2.978 -12.156 357 1HB HIS 79 2HB HID 79 3.939 -1.349 -14.659 358 2HB HIS 79 3HB HID 79 3.910 -0.667 -13.036 359 HD1 HIS 79 1HD HID 79 6.411 -1.492 -11.650 360 HD2 HIS 79 2HD HID 79 6.190 -0.904 -15.815 361 HE1 HIS 79 1HE HID 79 8.789 -1.029 -12.448 362 H VAL 80 H VAL 80 2.708 -2.493 -10.866 363 HA VAL 80 HA VAL 80 0.010 -2.157 -11.917 364 HB VAL 80 HB VAL 80 -0.876 -3.896 -10.354 365 1HG1 VAL 80 1HG1 VAL 80 1.001 -5.189 -12.352 366 2HG1 VAL 80 2HG1 VAL 80 -0.571 -5.773 -11.768 367 3HG1 VAL 80 3HG1 VAL 80 -0.483 -4.334 -12.794 368 1HG2 VAL 80 1HG2 VAL 80 0.617 -4.577 -8.767 369 2HG2 VAL 80 2HG2 VAL 80 0.993 -5.773 -10.018 370 3HG2 VAL 80 3HG2 VAL 80 2.053 -4.402 -9.820 371 H GLN 81 H GLN 81 -1.237 -0.912 -10.556 372 HA GLN 81 HA GLN 81 -0.143 -0.365 -7.849 373 1HB GLN 81 2HB GLN 81 -0.425 2.116 -8.249 374 2HB GLN 81 3HB GLN 81 0.989 1.371 -9.017 375 1HG GLN 81 2HG GLN 81 0.084 1.453 -11.170 376 2HG GLN 81 3HG GLN 81 -1.568 1.611 -10.563 377 1HE2 GLN 81 1HE2 GLN 81 -2.441 3.638 -10.221 378 2HE2 GLN 81 2HE2 GLN 81 -1.532 5.112 -10.497 379 H PHE 82 H PHE 82 -1.629 0.613 -6.431 380 HA PHE 82 HA PHE 82 -4.471 0.557 -7.270 381 1HB PHE 82 2HB PHE 82 -4.934 -1.044 -5.391 382 2HB PHE 82 3HB PHE 82 -4.130 -1.760 -6.769 383 HD1 PHE 82 1HD PHE 82 -3.650 -0.581 -3.259 384 HD2 PHE 82 2HD PHE 82 -1.956 -2.810 -6.542 385 HE1 PHE 82 1HE PHE 82 -2.193 -1.812 -1.678 386 HE2 PHE 82 2HE PHE 82 -0.439 -3.965 -4.965 387 HZ PHE 82 HZ PHE 82 -0.655 -3.569 -2.512 388 H ALA 83 H ALA 83 -5.870 1.388 -5.747 389 HA ALA 83 HA ALA 83 -4.574 3.207 -3.762 390 1HB ALA 83 1HB ALA 83 -7.350 3.479 -4.977 391 2HB ALA 83 2HB ALA 83 -6.602 4.533 -3.772 392 3HB ALA 83 3HB ALA 83 -5.926 4.441 -5.406 393 H VAL 84 H VAL 84 -5.207 3.058 -1.656 394 HA VAL 84 HA VAL 84 -7.199 0.978 -0.893 395 HB VAL 84 HB VAL 84 -4.883 0.034 -0.755 396 1HG1 VAL 84 1HG1 VAL 84 -4.440 2.134 1.400 397 2HG1 VAL 84 2HG1 VAL 84 -3.329 0.830 0.934 398 3HG1 VAL 84 3HG1 VAL 84 -3.691 2.131 -0.216 399 1HG2 VAL 84 1HG2 VAL 84 -6.596 -0.849 0.726 400 2HG2 VAL 84 2HG2 VAL 84 -5.032 -0.819 1.543 401 3HG2 VAL 84 3HG2 VAL 84 -6.252 0.403 1.943 402 H HIS 85 H HID 85 -8.235 1.475 1.171 403 HA HIS 85 HA HID 85 -7.792 4.263 2.097 404 1HB HIS 85 2HB HID 85 -10.115 4.794 2.057 405 2HB HIS 85 3HB HID 85 -9.623 4.341 0.430 406 HD1 HIS 85 1HD HID 85 -12.432 3.823 2.627 407 HD2 HIS 85 2HD HID 85 -10.119 1.430 0.075 408 HE1 HIS 85 1HE HID 85 -13.910 1.852 1.935 409 H ASP 86 H ASP 86 -9.080 4.658 4.096 410 HA ASP 86 HA ASP 86 -8.474 2.377 5.875 411 1HB ASP 86 2HB ASP 86 -7.383 4.723 6.106 412 2HB ASP 86 3HB ASP 86 -8.980 5.303 6.581 413 H SER 87 H SER 87 -9.970 2.736 7.978 414 HA SER 87 HA SER 87 -12.779 2.272 7.302 415 1HB SER 87 2HB SER 87 -11.290 2.836 9.914 416 2HB SER 87 3HB SER 87 -13.020 2.458 9.788 417 HG SER 87 HG SER 87 -12.362 0.466 8.757 418 H LEU 88 H LEU 88 -10.589 4.908 8.371 419 HA LEU 88 HA LEU 88 -12.903 6.818 8.237 420 1HB LEU 88 2HB LEU 88 -10.109 7.099 9.386 421 2HB LEU 88 3HB LEU 88 -11.194 8.461 9.069 422 HG LEU 88 HG LEU 88 -12.947 7.376 10.512 423 1HD1 LEU 88 1HD1 LEU 88 -10.639 5.502 11.195 424 2HD1 LEU 88 2HD1 LEU 88 -12.051 5.747 12.243 425 3HD1 LEU 88 3HD1 LEU 88 -12.272 5.062 10.639 426 1HD2 LEU 88 1HD2 LEU 88 -10.294 8.065 11.830 427 2HD2 LEU 88 2HD2 LEU 88 -11.529 9.225 11.292 428 3HD2 LEU 88 3HD2 LEU 88 -11.894 8.098 12.606 429 H GLY 89 H GLY 89 -9.553 7.532 7.320 430 1HA GLY 89 1HA GLY 89 -10.578 8.414 4.627 431 2HA GLY 89 2HA GLY 89 -9.300 9.200 5.550 432 H GLY 90 H GLY 90 -7.234 8.211 5.676 433 1HA GLY 90 1HA GLY 90 -5.430 7.044 4.831 434 2HA GLY 90 2HA GLY 90 -6.531 5.788 4.258 435 H GLU 91 H GLU 91 -7.872 6.440 2.365 436 HA GLU 91 HA GLU 91 -7.606 6.391 0.068 437 1HB GLU 91 2HB GLU 91 -8.782 8.484 1.036 438 2HB GLU 91 3HB GLU 91 -7.350 9.389 0.538 439 1HG GLU 91 2HG GLU 91 -7.739 8.668 -1.809 440 2HG GLU 91 3HG GLU 91 -9.134 7.698 -1.285 441 H ILE 92 H ILE 92 -5.334 5.387 0.430 442 HA ILE 92 HA ILE 92 -3.138 7.217 -0.436 443 HB ILE 92 HB ILE 92 -3.422 5.548 1.911 444 1HG1 ILE 92 2HG1 ILE 92 -2.677 7.828 1.842 445 2HG1 ILE 92 3HG1 ILE 92 -1.612 6.744 2.748 446 1HG2 ILE 92 1HG2 ILE 92 -0.963 4.818 0.263 447 2HG2 ILE 92 2HG2 ILE 92 -1.277 4.407 1.958 448 3HG2 ILE 92 3HG2 ILE 92 -2.301 3.736 0.688 449 1HD1 ILE 92 1HD1 ILE 92 -1.030 7.844 -0.043 450 2HD1 ILE 92 2HD1 ILE 92 -0.338 8.403 1.487 451 3HD1 ILE 92 3HD1 ILE 92 0.027 6.777 0.906 452 H LEU 93 H LEU 93 -1.351 6.120 -1.642 453 HA LEU 93 HA LEU 93 -2.554 4.180 -3.569 454 1HB LEU 93 2HB LEU 93 -1.103 6.786 -3.994 455 2HB LEU 93 3HB LEU 93 -0.859 5.487 -5.167 456 HG LEU 93 HG LEU 93 -3.672 6.278 -4.382 457 1HD1 LEU 93 1HD1 LEU 93 -2.113 7.549 -6.669 458 2HD1 LEU 93 2HD1 LEU 93 -3.787 7.862 -6.193 459 3HD1 LEU 93 3HD1 LEU 93 -2.469 8.359 -5.121 460 1HD2 LEU 93 1HD2 LEU 93 -4.143 5.434 -6.685 461 2HD2 LEU 93 2HD2 LEU 93 -2.419 5.105 -6.926 462 3HD2 LEU 93 3HD2 LEU 93 -3.333 4.196 -5.715 463 H VAL 94 H VAL 94 -1.456 2.397 -3.844 464 HA VAL 94 HA VAL 94 1.337 2.204 -2.808 465 HB VAL 94 HB VAL 94 -0.882 0.179 -2.986 466 1HG1 VAL 94 1HG1 VAL 94 0.643 -1.270 -1.632 467 2HG1 VAL 94 2HG1 VAL 94 1.285 -0.939 -3.246 468 3HG1 VAL 94 3HG1 VAL 94 1.929 -0.059 -1.840 469 1HG2 VAL 94 1HG2 VAL 94 -0.857 0.209 -0.500 470 2HG2 VAL 94 2HG2 VAL 94 0.317 1.539 -0.539 471 3HG2 VAL 94 3HG2 VAL 94 -1.328 1.773 -1.167 472 H THR 95 H THR 95 2.861 1.527 -4.285 473 HA THR 95 HA THR 95 1.947 0.679 -6.994 474 HB THR 95 HB THR 95 4.179 1.506 -7.711 475 HG1 THR 95 1HG THR 95 5.420 2.650 -6.238 476 1HG2 THR 95 1HG2 THR 95 3.698 3.907 -7.507 477 2HG2 THR 95 2HG2 THR 95 2.185 3.029 -7.790 478 3HG2 THR 95 3HG2 THR 95 2.586 3.606 -6.158 479 H TYR 96 H TYR 96 3.085 -1.030 -8.049 480 HA TYR 96 HA TYR 96 4.834 -2.789 -6.449 481 1HB TYR 96 2HB TYR 96 2.333 -3.137 -6.022 482 2HB TYR 96 3HB TYR 96 2.175 -3.560 -7.700 483 HD1 TYR 96 HD1 TYR 96 4.370 -5.489 -8.191 484 HD2 TYR 96 HD2 TYR 96 1.724 -5.021 -4.854 485 HE1 TYR 96 HE1 TYR 96 4.882 -7.789 -7.493 486 HE2 TYR 96 HE2 TYR 96 1.971 -7.431 -4.383 487 HH TYR 96 HH TYR 96 3.808 -9.077 -4.594 488 H ASP 97 H ASP 97 6.355 -3.745 -7.870 489 HA ASP 97 HA ASP 97 5.962 -3.478 -10.797 490 1HB ASP 97 2HB ASP 97 8.373 -2.949 -10.773 491 2HB ASP 97 3HB ASP 97 7.428 -1.781 -9.831 492 H ASP 98 H ASP 98 5.052 -5.859 -9.931 493 HA ASP 98 HA ASP 98 6.651 -7.666 -11.287 494 1HB ASP 98 2HB ASP 98 7.784 -7.348 -8.748 495 2HB ASP 98 3HB ASP 98 6.759 -8.731 -8.468 496 H LEU 99 H LEU 99 4.138 -7.159 -11.689 497 HA LEU 99 HA LEU 99 1.997 -7.781 -11.734 498 1HB LEU 99 2HB LEU 99 3.161 -10.545 -11.281 499 2HB LEU 99 3HB LEU 99 1.519 -10.176 -11.862 500 HG LEU 99 HG LEU 99 2.796 -8.805 -13.691 501 1HD1 LEU 99 1HD1 LEU 99 4.698 -11.127 -13.087 502 2HD1 LEU 99 2HD1 LEU 99 4.757 -10.093 -14.528 503 3HD1 LEU 99 3HD1 LEU 99 5.110 -9.409 -12.939 504 1HD2 LEU 99 1HD2 LEU 99 1.127 -10.538 -14.108 505 2HD2 LEU 99 2HD2 LEU 99 2.519 -10.799 -15.167 506 3HD2 LEU 99 3HD2 LEU 99 2.307 -11.812 -13.724 507 H LEU 100 H LEU 100 0.972 -10.219 -9.992 508 HA LEU 100 HA LEU 100 0.977 -9.084 -7.339 509 1HB LEU 100 2HB LEU 100 -1.355 -8.961 -9.294 510 2HB LEU 100 3HB LEU 100 -1.704 -9.193 -7.582 511 HG LEU 100 HG LEU 100 -0.024 -6.877 -8.539 512 1HD1 LEU 100 1HD1 LEU 100 -2.062 -5.482 -8.431 513 2HD1 LEU 100 2HD1 LEU 100 -2.105 -6.675 -9.742 514 3HD1 LEU 100 3HD1 LEU 100 -3.028 -6.960 -8.259 515 1HD2 LEU 100 1HD2 LEU 100 -1.610 -7.382 -6.007 516 2HD2 LEU 100 2HD2 LEU 100 0.147 -7.347 -6.182 517 3HD2 LEU 100 3HD2 LEU 100 -0.777 -5.860 -6.418 518 HA PRO 101 HA PRO 101 0.161 -13.493 -6.820 519 1HB PRO 101 2HB PRO 101 -0.967 -13.619 -4.337 520 2HB PRO 101 3HB PRO 101 0.720 -13.125 -4.589 521 1HG PRO 101 2HG PRO 101 -1.650 -11.262 -4.191 522 2HG PRO 101 3HG PRO 101 -0.084 -11.237 -3.366 523 1HD PRO 101 2HD PRO 101 -0.633 -9.683 -5.549 524 2HD PRO 101 3HD PRO 101 1.006 -10.336 -5.258 525 H ASP 102 H ASP 102 -2.718 -12.719 -4.955 526 HA ASP 102 HA ASP 102 -4.468 -13.888 -6.833 527 1HB ASP 102 2HB ASP 102 -5.167 -12.112 -4.450 528 2HB ASP 102 3HB ASP 102 -6.110 -13.448 -5.127 529 H LEU 103 H LEU 103 -3.205 -11.713 -8.220 530 HA LEU 103 HA LEU 103 -3.531 -9.722 -9.301 531 1HB LEU 103 2HB LEU 103 -4.879 -11.196 -10.543 532 2HB LEU 103 3HB LEU 103 -6.233 -11.078 -9.421 533 HG LEU 103 HG LEU 103 -6.836 -8.927 -10.137 534 1HD1 LEU 103 1HD1 LEU 103 -5.599 -7.682 -11.927 535 2HD1 LEU 103 2HD1 LEU 103 -4.479 -7.948 -10.593 536 3HD1 LEU 103 3HD1 LEU 103 -4.385 -8.974 -12.022 537 1HD2 LEU 103 1HD2 LEU 103 -7.355 -9.332 -12.495 538 2HD2 LEU 103 2HD2 LEU 103 -6.125 -10.613 -12.569 539 3HD2 LEU 103 3HD2 LEU 103 -7.557 -10.810 -11.534 540 H PHE 104 H PHE 104 -3.971 -9.552 -6.265 541 HA PHE 104 HA PHE 104 -4.705 -8.047 -4.706 542 1HB PHE 104 2HB PHE 104 -3.526 -6.344 -6.041 543 2HB PHE 104 3HB PHE 104 -4.938 -6.128 -7.056 544 HD1 PHE 104 1HD PHE 104 -6.760 -4.709 -6.403 545 HD2 PHE 104 2HD PHE 104 -3.573 -5.613 -3.635 546 HE1 PHE 104 1HE PHE 104 -7.266 -2.641 -5.145 547 HE2 PHE 104 2HE PHE 104 -4.190 -3.613 -2.312 548 HZ PHE 104 HZ PHE 104 -5.894 -2.039 -3.150 549 H ARG 105 H ARG 105 -6.568 -9.465 -4.382 550 HA ARG 105 HA ARG 105 -8.853 -9.145 -6.080 551 1HB ARG 105 2HB ARG 105 -8.186 -10.634 -3.574 552 2HB ARG 105 3HB ARG 105 -9.886 -10.357 -3.907 553 1HG ARG 105 2HG ARG 105 -7.999 -11.715 -5.836 554 2HG ARG 105 3HG ARG 105 -9.008 -12.559 -4.678 555 1HD ARG 105 2HD ARG 105 -10.077 -10.776 -6.936 556 2HD ARG 105 3HD ARG 105 -9.959 -12.525 -6.954 557 HE ARG 105 HE ARG 105 -11.568 -12.773 -5.282 558 1HH1 ARG 105 2HH2 ARG 105 -11.501 -9.344 -6.395 559 2HH1 ARG 105 1HH2 ARG 105 -12.441 -8.805 -5.042 560 1HH2 ARG 105 1HH1 ARG 105 -12.939 -12.000 -3.591 561 2HH2 ARG 105 2HH1 ARG 105 -13.507 -10.380 -3.634 562 H GLU 106 H GLU 106 -10.270 -7.606 -6.063 563 HA GLU 106 HA GLU 106 -10.159 -5.491 -4.201 564 1HB GLU 106 2HB GLU 106 -12.176 -5.694 -6.449 565 2HB GLU 106 3HB GLU 106 -11.345 -4.288 -5.763 566 1HG GLU 106 2HG GLU 106 -10.218 -4.489 -7.723 567 2HG GLU 106 3HG GLU 106 -9.162 -5.448 -6.700 568 H GLY 107 H GLY 107 -12.008 -4.511 -3.134 569 1HA GLY 107 1HA GLY 107 -14.006 -4.434 -2.019 570 2HA GLY 107 2HA GLY 107 -14.535 -5.901 -2.855 571 H GLN 108 H GLN 108 -11.513 -5.669 -0.891 572 HA GLN 108 HA GLN 108 -12.703 -6.826 1.481 573 1HB GLN 108 2HB GLN 108 -11.077 -8.760 1.348 574 2HB GLN 108 3HB GLN 108 -12.427 -8.877 0.218 575 1HG GLN 108 2HG GLN 108 -11.106 -8.278 -1.648 576 2HG GLN 108 3HG GLN 108 -9.790 -7.626 -0.655 577 1HE2 GLN 108 1HE2 GLN 108 -8.562 -9.185 0.755 578 2HE2 GLN 108 2HE2 GLN 108 -8.399 -10.809 0.101 579 H GLY 109 H GLY 109 -10.628 -7.391 2.924 580 1HA GLY 109 1HA GLY 109 -8.752 -5.097 2.767 581 2HA GLY 109 2HA GLY 109 -8.931 -6.195 4.119 582 H ILE 110 H ILE 110 -6.594 -5.340 2.571 583 HA ILE 110 HA ILE 110 -5.389 -7.979 2.377 584 HB ILE 110 HB ILE 110 -4.132 -7.584 0.358 585 1HG1 ILE 110 2HG1 ILE 110 -5.120 -5.519 -1.075 586 2HG1 ILE 110 3HG1 ILE 110 -5.171 -4.794 0.537 587 1HG2 ILE 110 1HG2 ILE 110 -5.805 -7.740 -1.365 588 2HG2 ILE 110 2HG2 ILE 110 -6.411 -8.577 0.065 589 3HG2 ILE 110 3HG2 ILE 110 -7.029 -6.965 -0.344 590 1HD1 ILE 110 1HD1 ILE 110 -3.048 -4.302 -0.499 591 2HD1 ILE 110 2HD1 ILE 110 -2.702 -5.517 0.734 592 3HD1 ILE 110 3HD1 ILE 110 -2.810 -6.004 -0.971 593 H VAL 111 H VAL 111 -2.962 -7.677 2.690 594 HA VAL 111 HA VAL 111 -2.320 -4.977 3.814 595 HB VAL 111 HB VAL 111 -1.053 -5.982 5.557 596 1HG1 VAL 111 1HG1 VAL 111 -3.879 -7.109 5.645 597 2HG1 VAL 111 2HG1 VAL 111 -2.848 -6.659 7.023 598 3HG1 VAL 111 3HG1 VAL 111 -3.476 -5.425 5.926 599 1HG2 VAL 111 1HG2 VAL 111 -2.156 -8.668 4.621 600 2HG2 VAL 111 2HG2 VAL 111 -0.459 -8.171 4.596 601 3HG2 VAL 111 3HG2 VAL 111 -1.285 -8.408 6.141 602 H ALA 112 H ALA 112 -0.391 -4.142 3.211 603 HA ALA 112 HA ALA 112 1.131 -5.688 1.146 604 1HB ALA 112 1HB ALA 112 1.215 -3.707 -0.181 605 2HB ALA 112 2HB ALA 112 -0.482 -3.976 0.244 606 3HB ALA 112 3HB ALA 112 0.462 -2.733 1.085 607 H GLN 113 H GLN 113 3.279 -5.841 1.532 608 HA GLN 113 HA GLN 113 4.541 -3.949 3.459 609 1HB GLN 113 2HB GLN 113 4.284 -6.138 4.405 610 2HB GLN 113 3HB GLN 113 5.003 -6.913 3.031 611 1HG GLN 113 2HG GLN 113 6.542 -4.816 4.619 612 2HG GLN 113 3HG GLN 113 6.428 -6.491 5.221 613 1HE2 GLN 113 1HE2 GLN 113 6.741 -8.068 3.107 614 2HE2 GLN 113 2HE2 GLN 113 7.991 -7.549 2.014 615 H GLY 114 H GLY 114 6.475 -3.098 3.006 616 1HA GLY 114 1HA GLY 114 8.418 -3.871 1.285 617 2HA GLY 114 2HA GLY 114 7.377 -2.897 0.250 618 H VAL 115 H VAL 115 8.116 -0.812 0.172 619 HA VAL 115 HA VAL 115 9.305 0.394 2.602 620 HB VAL 115 HB VAL 115 11.077 -0.544 1.175 621 1HG1 VAL 115 1HG1 VAL 115 11.565 0.353 -1.042 622 2HG1 VAL 115 2HG1 VAL 115 9.950 -0.363 -1.041 623 3HG1 VAL 115 3HG1 VAL 115 10.140 1.404 -0.976 624 1HG2 VAL 115 1HG2 VAL 115 12.482 1.457 0.888 625 2HG2 VAL 115 2HG2 VAL 115 11.090 2.481 1.267 626 3HG2 VAL 115 3HG2 VAL 115 11.727 1.335 2.471 627 H LEU 116 H LEU 116 9.127 2.646 2.750 628 HA LEU 116 HA LEU 116 6.858 3.865 1.484 629 1HB LEU 116 2HB LEU 116 9.365 4.932 2.888 630 2HB LEU 116 3HB LEU 116 8.236 6.055 2.140 631 HG LEU 116 HG LEU 116 7.947 5.864 4.565 632 1HD1 LEU 116 1HD1 LEU 116 6.136 6.648 3.273 633 2HD1 LEU 116 2HD1 LEU 116 5.583 5.018 2.859 634 3HD1 LEU 116 3HD1 LEU 116 5.479 5.589 4.534 635 1HD2 LEU 116 1HD2 LEU 116 6.803 3.942 5.560 636 2HD2 LEU 116 2HD2 LEU 116 6.993 3.027 4.051 637 3HD2 LEU 116 3HD2 LEU 116 8.418 3.540 5.001 638 H GLY 117 H GLY 117 6.683 5.340 -0.262 639 1HA GLY 117 1HA GLY 117 8.543 4.698 -2.448 640 2HA GLY 117 2HA GLY 117 6.991 5.548 -2.525 641 H GLU 118 H GLU 118 7.869 7.225 -3.753 642 HA GLU 118 HA GLU 118 10.267 8.588 -3.163 643 1HB GLU 118 2HB GLU 118 8.954 8.470 -5.359 644 2HB GLU 118 3HB GLU 118 7.893 9.728 -4.723 645 1HG GLU 118 2HG GLU 118 9.852 11.235 -4.448 646 2HG GLU 118 3HG GLU 118 10.911 9.961 -5.084 647 H ASP 119 H ASP 119 6.929 9.911 -2.862 648 HA ASP 119 HA ASP 119 7.309 10.920 -0.225 649 1HB ASP 119 2HB ASP 119 8.636 12.548 -1.855 650 2HB ASP 119 3HB ASP 119 7.030 13.129 -2.302 651 H GLY 120 H GLY 120 5.361 10.006 0.222 652 1HA GLY 120 1HA GLY 120 2.982 10.513 0.486 653 2HA GLY 120 2HA GLY 120 2.893 10.975 -1.206 654 H LYS 121 H LYS 121 4.446 8.843 -2.262 655 HA LYS 121 HA LYS 121 2.387 6.735 -2.369 656 1HB LYS 121 2HB LYS 121 4.739 7.662 -3.987 657 2HB LYS 121 3HB LYS 121 4.456 5.935 -4.024 658 1HG LYS 121 2HG LYS 121 3.369 7.123 -5.845 659 2HG LYS 121 3HG LYS 121 2.220 6.205 -4.837 660 1HD LYS 121 2HD LYS 121 1.280 8.179 -3.896 661 2HD LYS 121 3HD LYS 121 2.689 9.158 -4.304 662 1HE LYS 121 2HE LYS 121 0.694 9.671 -5.712 663 2HE LYS 121 3HE LYS 121 2.147 9.242 -6.624 664 1HZ LYS 121 1HZ LYS 121 -0.093 7.416 -6.059 665 2HZ LYS 121 2HZ LYS 121 0.190 8.176 -7.489 666 3HZ LYS 121 3HZ LYS 121 1.249 7.048 -6.941 667 H LEU 122 H LEU 122 2.972 4.428 -2.270 668 HA LEU 122 HA LEU 122 5.295 3.786 -0.511 669 1HB LEU 122 2HB LEU 122 2.489 2.632 -0.304 670 2HB LEU 122 3HB LEU 122 3.927 2.074 0.551 671 HG LEU 122 HG LEU 122 3.883 4.822 1.127 672 1HD1 LEU 122 1HD1 LEU 122 1.047 3.792 1.305 673 2HD1 LEU 122 2HD1 LEU 122 1.667 5.355 1.891 674 3HD1 LEU 122 3HD1 LEU 122 1.637 5.013 0.152 675 1HD2 LEU 122 1HD2 LEU 122 2.684 2.558 2.783 676 2HD2 LEU 122 2HD2 LEU 122 4.418 2.929 2.671 677 3HD2 LEU 122 3HD2 LEU 122 3.312 4.110 3.391 678 H ALA 123 H ALA 123 6.389 1.943 -1.139 679 HA ALA 123 HA ALA 123 5.471 0.646 -3.699 680 1HB ALA 123 1HB ALA 123 8.039 1.779 -2.880 681 2HB ALA 123 2HB ALA 123 8.187 0.060 -3.286 682 3HB ALA 123 3HB ALA 123 7.494 1.187 -4.460 683 H ALA 124 H ALA 124 4.475 -1.274 -3.189 684 HA ALA 124 HA ALA 124 5.641 -2.890 -0.950 685 1HB ALA 124 1HB ALA 124 3.802 -1.531 -0.041 686 2HB ALA 124 2HB ALA 124 2.714 -2.263 -1.246 687 3HB ALA 124 3HB ALA 124 3.485 -3.277 -0.011 688 H THR 125 H THR 125 6.290 -4.719 -1.819 689 HA THR 125 HA THR 125 4.836 -5.821 -4.146 690 HB THR 125 HB THR 125 7.190 -5.317 -4.448 691 HG1 THR 125 1HG THR 125 6.336 -6.943 -5.682 692 1HG2 THR 125 1HG2 THR 125 8.938 -6.646 -3.442 693 2HG2 THR 125 2HG2 THR 125 8.034 -5.876 -2.125 694 3HG2 THR 125 3HG2 THR 125 7.768 -7.590 -2.518 695 H GLU 126 H GLU 126 5.710 -6.691 -0.726 696 HA GLU 126 HA GLU 126 4.499 -9.376 -1.153 697 1HB GLU 126 2HB GLU 126 5.602 -7.946 1.252 698 2HB GLU 126 3HB GLU 126 4.777 -9.509 1.321 699 1HG GLU 126 2HG GLU 126 7.016 -10.136 1.258 700 2HG GLU 126 3HG GLU 126 6.497 -10.344 -0.415 701 H VAL 127 H VAL 127 2.417 -8.748 -1.903 702 HA VAL 127 HA VAL 127 0.640 -7.495 0.128 703 HB VAL 127 HB VAL 127 -1.044 -7.318 -1.518 704 1HG1 VAL 127 1HG1 VAL 127 0.067 -5.752 -3.098 705 2HG1 VAL 127 2HG1 VAL 127 0.483 -5.490 -1.400 706 3HG1 VAL 127 3HG1 VAL 127 1.649 -6.264 -2.476 707 1HG2 VAL 127 1HG2 VAL 127 -0.487 -7.831 -3.941 708 2HG2 VAL 127 2HG2 VAL 127 0.763 -8.927 -3.300 709 3HG2 VAL 127 3HG2 VAL 127 -0.952 -9.160 -2.885 710 H LEU 128 H LEU 128 -0.520 -8.715 1.453 711 HA LEU 128 HA LEU 128 -0.891 -11.627 0.860 712 1HB LEU 128 2HB LEU 128 -0.772 -10.285 3.569 713 2HB LEU 128 3HB LEU 128 -0.910 -11.997 3.218 714 HG LEU 128 HG LEU 128 1.260 -11.654 3.974 715 1HD1 LEU 128 1HD1 LEU 128 1.138 -13.144 2.003 716 2HD1 LEU 128 2HD1 LEU 128 1.555 -11.772 0.950 717 3HD1 LEU 128 3HD1 LEU 128 2.712 -12.333 2.164 718 1HD2 LEU 128 1HD2 LEU 128 1.395 -9.169 3.615 719 2HD2 LEU 128 2HD2 LEU 128 2.875 -10.071 3.249 720 3HD2 LEU 128 3HD2 LEU 128 1.850 -9.506 1.936 721 H ALA 129 H ALA 129 -2.926 -11.885 0.169 722 HA ALA 129 HA ALA 129 -5.111 -10.110 1.031 723 1HB ALA 129 1HB ALA 129 -4.886 -10.693 -1.341 724 2HB ALA 129 2HB ALA 129 -5.011 -12.421 -0.952 725 3HB ALA 129 3HB ALA 129 -6.397 -11.346 -0.684 726 H LYS 130 H LYS 130 -4.497 -11.103 3.313 727 HA LYS 130 HA LYS 130 -5.261 -13.777 3.849 728 1HB LYS 130 2HB LYS 130 -5.149 -13.229 6.194 729 2HB LYS 130 3HB LYS 130 -3.789 -12.563 5.300 730 1HG LYS 130 2HG LYS 130 -5.900 -10.566 5.361 731 2HG LYS 130 3HG LYS 130 -5.786 -11.226 6.970 732 1HD LYS 130 2HD LYS 130 -3.074 -10.648 5.950 733 2HD LYS 130 3HD LYS 130 -4.148 -9.308 5.614 734 1HE LYS 130 2HE LYS 130 -3.091 -8.928 7.756 735 2HE LYS 130 3HE LYS 130 -4.820 -9.201 8.010 736 1HZ LYS 130 1HZ LYS 130 -3.477 -10.398 9.585 737 2HZ LYS 130 2HZ LYS 130 -4.267 -11.477 8.628 738 3HZ LYS 130 3HZ LYS 130 -2.664 -11.185 8.392 739 H HIS 131 H HID 131 -7.360 -11.041 3.401 740 HA HIS 131 HA HID 131 -9.653 -12.465 4.709 741 1HB HIS 131 2HB HID 131 -9.258 -9.534 4.006 742 2HB HIS 131 3HB HID 131 -10.721 -10.238 4.698 743 HD1 HIS 131 1HD HID 131 -9.847 -11.870 7.074 744 HD2 HIS 131 2HD HID 131 -7.941 -8.302 5.910 745 HE1 HIS 131 1HE HID 131 -8.607 -11.000 9.129 746 H ASP 132 H ASP 132 -9.139 -13.769 2.503 747 HA ASP 132 HA ASP 132 -10.323 -12.586 0.151 748 1HB ASP 132 2HB ASP 132 -8.591 -14.431 0.117 749 2HB ASP 132 3HB ASP 132 -9.866 -15.538 0.667 Start of MODEL 7 1 H SER 32 H SER 32 14.764 -1.092 17.086 2 HA SER 32 HA SER 32 14.152 0.613 14.789 3 1HB SER 32 2HB SER 32 16.086 -1.753 14.629 4 2HB SER 32 3HB SER 32 15.385 -0.908 13.235 5 HG SER 32 HG SER 32 17.447 -0.077 13.715 6 H ASN 33 H ASN 33 12.878 -0.708 13.176 7 HA ASN 33 HA ASN 33 11.772 -3.248 14.189 8 1HB ASN 33 2HB ASN 33 10.260 -0.788 13.243 9 2HB ASN 33 3HB ASN 33 9.646 -2.392 12.841 10 1HD2 ASN 33 1HD2 ASN 33 8.921 -0.068 14.929 11 2HD2 ASN 33 2HD2 ASN 33 8.474 -1.062 16.304 12 H LEU 34 H LEU 34 12.005 -4.798 12.660 13 HA LEU 34 HA LEU 34 13.322 -4.170 10.163 14 1HB LEU 34 2HB LEU 34 12.066 -6.741 11.210 15 2HB LEU 34 3HB LEU 34 13.026 -6.612 9.740 16 HG LEU 34 HG LEU 34 14.560 -5.375 11.846 17 1HD1 LEU 34 1HD1 LEU 34 13.556 -8.164 12.563 18 2HD1 LEU 34 2HD1 LEU 34 14.847 -7.269 13.389 19 3HD1 LEU 34 3HD1 LEU 34 13.181 -6.666 13.445 20 1HD2 LEU 34 1HD2 LEU 34 14.921 -8.033 10.400 21 2HD2 LEU 34 2HD2 LEU 34 15.466 -6.443 9.817 22 3HD2 LEU 34 3HD2 LEU 34 16.174 -7.138 11.286 23 H ASN 35 H ASN 35 9.993 -5.036 11.095 24 HA ASN 35 HA ASN 35 8.852 -3.801 8.788 25 1HB ASN 35 2HB ASN 35 7.623 -5.821 8.003 26 2HB ASN 35 3HB ASN 35 9.350 -5.920 7.676 27 1HD2 ASN 35 1HD2 ASN 35 10.565 -7.622 8.624 28 2HD2 ASN 35 2HD2 ASN 35 9.821 -8.839 9.642 29 H LEU 36 H LEU 36 6.483 -3.598 9.157 30 HA LEU 36 HA LEU 36 5.253 -4.776 11.452 31 1HB LEU 36 2HB LEU 36 4.845 -2.843 12.760 32 2HB LEU 36 3HB LEU 36 6.585 -3.051 12.636 33 HG LEU 36 HG LEU 36 4.930 -1.022 11.040 34 1HD1 LEU 36 1HD1 LEU 36 5.933 0.623 12.594 35 2HD1 LEU 36 2HD1 LEU 36 4.904 -0.546 13.437 36 3HD1 LEU 36 3HD1 LEU 36 6.672 -0.704 13.515 37 1HD2 LEU 36 1HD2 LEU 36 6.991 -1.482 9.813 38 2HD2 LEU 36 2HD2 LEU 36 7.183 0.047 10.659 39 3HD2 LEU 36 3HD2 LEU 36 7.947 -1.413 11.312 40 H PHE 37 H PHE 37 2.970 -4.253 11.511 41 HA PHE 37 HA PHE 37 1.920 -3.461 8.861 42 1HB PHE 37 2HB PHE 37 0.608 -4.866 11.194 43 2HB PHE 37 3HB PHE 37 -0.206 -4.379 9.720 44 HD1 PHE 37 1HD PHE 37 1.488 -7.109 11.261 45 HD2 PHE 37 2HD PHE 37 0.717 -5.250 7.446 46 HE1 PHE 37 1HE PHE 37 2.042 -9.232 10.106 47 HE2 PHE 37 2HE PHE 37 1.437 -7.334 6.298 48 HZ PHE 37 HZ PHE 37 2.048 -9.336 7.617 49 H TYR 38 H TYR 38 0.887 -1.563 8.546 50 HA TYR 38 HA TYR 38 -0.132 -0.054 10.861 51 1HB TYR 38 2HB TYR 38 2.140 0.673 9.068 52 2HB TYR 38 3HB TYR 38 0.897 1.906 9.132 53 HD1 TYR 38 HD1 TYR 38 -0.083 1.984 11.850 54 HD2 TYR 38 HD2 TYR 38 3.932 1.601 10.312 55 HE1 TYR 38 HE1 TYR 38 0.778 3.117 13.842 56 HE2 TYR 38 HE2 TYR 38 4.778 2.883 12.252 57 HH TYR 38 HH TYR 38 2.815 3.685 15.024 58 H THR 39 H THR 39 -1.720 1.492 10.362 59 HA THR 39 HA THR 39 -3.520 0.637 8.392 60 HB THR 39 HB THR 39 -3.510 3.000 10.329 61 HG1 THR 39 1HG THR 39 -4.642 1.460 11.604 62 1HG2 THR 39 1HG2 THR 39 -5.969 2.748 10.246 63 2HG2 THR 39 2HG2 THR 39 -5.303 3.239 8.682 64 3HG2 THR 39 3HG2 THR 39 -5.773 1.539 8.956 65 HA PRO 40 HA PRO 40 -2.150 3.452 5.105 66 1HB PRO 40 2HB PRO 40 -4.475 3.621 3.616 67 2HB PRO 40 3HB PRO 40 -3.259 2.326 3.547 68 1HG PRO 40 2HG PRO 40 -5.803 2.360 5.144 69 2HG PRO 40 3HG PRO 40 -5.192 1.033 4.107 70 1HD PRO 40 2HD PRO 40 -4.910 0.983 6.761 71 2HD PRO 40 3HD PRO 40 -3.526 0.489 5.737 72 H SER 41 H SER 41 -5.429 4.045 6.480 73 HA SER 41 HA SER 41 -5.588 6.748 5.942 74 1HB SER 41 2HB SER 41 -7.354 5.164 6.859 75 2HB SER 41 3HB SER 41 -6.695 5.482 8.477 76 HG SER 41 HG SER 41 -7.088 7.823 7.689 77 H GLU 42 H GLU 42 -3.678 5.180 8.500 78 HA GLU 42 HA GLU 42 -3.058 7.558 9.999 79 1HB GLU 42 2HB GLU 42 -2.299 4.786 10.080 80 2HB GLU 42 3HB GLU 42 -0.809 5.683 9.870 81 1HG GLU 42 2HG GLU 42 -1.203 5.398 12.210 82 2HG GLU 42 3HG GLU 42 -1.496 7.111 11.849 83 H ILE 43 H ILE 43 -1.383 5.774 7.404 84 HA ILE 43 HA ILE 43 0.683 7.784 7.171 85 HB ILE 43 HB ILE 43 1.598 6.329 5.389 86 1HG1 ILE 43 2HG1 ILE 43 -0.478 4.322 6.263 87 2HG1 ILE 43 3HG1 ILE 43 -0.620 5.268 4.770 88 1HG2 ILE 43 1HG2 ILE 43 1.019 4.993 8.064 89 2HG2 ILE 43 2HG2 ILE 43 2.390 4.660 6.991 90 3HG2 ILE 43 3HG2 ILE 43 2.268 6.219 7.780 91 1HD1 ILE 43 1HD1 ILE 43 0.318 3.083 4.273 92 2HD1 ILE 43 2HD1 ILE 43 1.572 4.311 4.010 93 3HD1 ILE 43 3HD1 ILE 43 1.587 3.285 5.469 94 H VAL 44 H VAL 44 -2.069 8.682 6.515 95 HA VAL 44 HA VAL 44 -1.053 10.262 4.207 96 HB VAL 44 HB VAL 44 -3.400 8.833 4.129 97 1HG1 VAL 44 1HG1 VAL 44 -4.196 11.695 4.878 98 2HG1 VAL 44 2HG1 VAL 44 -5.238 10.470 4.197 99 3HG1 VAL 44 3HG1 VAL 44 -4.540 10.209 5.804 100 1HG2 VAL 44 1HG2 VAL 44 -2.242 9.810 2.219 101 2HG2 VAL 44 2HG2 VAL 44 -3.962 10.226 2.191 102 3HG2 VAL 44 3HG2 VAL 44 -2.767 11.440 2.703 103 H ASN 45 H ASN 45 -2.151 10.316 7.582 104 HA ASN 45 HA ASN 45 -3.051 13.092 7.337 105 1HB ASN 45 2HB ASN 45 -3.099 11.027 9.547 106 2HB ASN 45 3HB ASN 45 -3.396 12.735 9.878 107 1HD2 ASN 45 1HD2 ASN 45 -4.774 9.860 8.174 108 2HD2 ASN 45 2HD2 ASN 45 -6.305 10.642 7.855 109 H GLY 46 H GLY 46 -0.737 11.600 9.639 110 1HA GLY 46 1HA GLY 46 1.025 14.017 9.464 111 2HA GLY 46 2HA GLY 46 0.302 13.569 11.018 112 H LYS 47 H LYS 47 1.753 11.893 8.255 113 HA LYS 47 HA LYS 47 3.647 10.342 9.871 114 1HB LYS 47 2HB LYS 47 1.142 9.323 8.554 115 2HB LYS 47 3HB LYS 47 2.542 8.242 8.714 116 1HG LYS 47 2HG LYS 47 1.801 9.605 11.219 117 2HG LYS 47 3HG LYS 47 0.529 8.582 10.578 118 1HD LYS 47 2HD LYS 47 1.672 6.657 10.945 119 2HD LYS 47 3HD LYS 47 3.268 7.350 10.586 120 1HE LYS 47 2HE LYS 47 3.468 8.402 12.699 121 2HE LYS 47 3HE LYS 47 1.750 8.199 13.061 122 1HZ LYS 47 1HZ LYS 47 3.696 5.966 12.864 123 2HZ LYS 47 2HZ LYS 47 3.166 6.633 14.259 124 3HZ LYS 47 3HZ LYS 47 2.123 5.840 13.285 125 H THR 48 H THR 48 2.677 8.933 6.865 126 HA THR 48 HA THR 48 5.218 9.363 5.723 127 HB THR 48 HB THR 48 2.595 8.273 4.649 128 HG1 THR 48 1HG THR 48 3.776 6.322 4.974 129 1HG2 THR 48 1HG2 THR 48 5.277 8.492 3.299 130 2HG2 THR 48 2HG2 THR 48 4.101 7.215 2.874 131 3HG2 THR 48 3HG2 THR 48 3.674 8.907 2.677 132 H ASP 49 H ASP 49 2.023 10.440 4.396 133 HA ASP 49 HA ASP 49 2.996 11.843 2.256 134 1HB ASP 49 2HB ASP 49 0.613 11.316 2.727 135 2HB ASP 49 3HB ASP 49 0.578 12.591 3.963 136 H THR 50 H THR 50 2.174 13.282 5.437 137 HA THR 50 HA THR 50 3.349 15.774 4.970 138 HB THR 50 HB THR 50 3.120 14.744 7.766 139 HG1 THR 50 1HG THR 50 0.668 14.821 7.317 140 1HG2 THR 50 1HG2 THR 50 1.806 17.064 6.283 141 2HG2 THR 50 2HG2 THR 50 1.787 16.797 8.042 142 3HG2 THR 50 3HG2 THR 50 3.314 17.153 7.214 143 H GLY 51 H GLY 51 4.857 12.749 5.863 144 1HA GLY 51 1HA GLY 51 6.930 12.120 6.453 145 2HA GLY 51 2HA GLY 51 7.476 13.609 5.677 146 H VAL 52 H VAL 52 5.468 13.223 8.629 147 HA VAL 52 HA VAL 52 7.422 15.031 10.013 148 HB VAL 52 HB VAL 52 5.649 15.446 11.641 149 1HG1 VAL 52 1HG1 VAL 52 4.322 16.878 10.149 150 2HG1 VAL 52 2HG1 VAL 52 6.043 16.939 9.736 151 3HG1 VAL 52 3HG1 VAL 52 4.929 15.992 8.739 152 1HG2 VAL 52 1HG2 VAL 52 4.322 13.383 11.408 153 2HG2 VAL 52 2HG2 VAL 52 3.331 14.826 11.136 154 3HG2 VAL 52 3HG2 VAL 52 3.867 13.852 9.754 155 H LYS 53 H LYS 53 6.046 11.815 10.406 156 HA LYS 53 HA LYS 53 7.836 11.438 12.770 157 1HB LYS 53 2HB LYS 53 5.083 10.398 12.245 158 2HB LYS 53 3HB LYS 53 6.228 9.361 13.113 159 1HG LYS 53 2HG LYS 53 5.395 12.179 13.926 160 2HG LYS 53 3HG LYS 53 4.850 10.666 14.638 161 1HD LYS 53 2HD LYS 53 6.532 10.825 16.121 162 2HD LYS 53 3HD LYS 53 7.605 10.368 14.804 163 1HE LYS 53 2HE LYS 53 7.434 13.087 14.352 164 2HE LYS 53 3HE LYS 53 7.089 13.058 16.078 165 1HZ LYS 53 1HZ LYS 53 9.205 11.874 16.355 166 2HZ LYS 53 2HZ LYS 53 9.480 11.973 14.729 167 3HZ LYS 53 3HZ LYS 53 9.406 13.337 15.630 168 HA PRO 54 HA PRO 54 9.059 7.707 10.313 169 1HB PRO 54 2HB PRO 54 7.754 6.739 8.153 170 2HB PRO 54 3HB PRO 54 7.161 6.427 9.813 171 1HG PRO 54 2HG PRO 54 6.204 8.542 7.868 172 2HG PRO 54 3HG PRO 54 5.212 7.417 8.828 173 1HD PRO 54 2HD PRO 54 5.815 10.015 9.583 174 2HD PRO 54 3HD PRO 54 5.500 8.705 10.773 175 H GLU 55 H GLU 55 10.863 8.171 9.093 176 HA GLU 55 HA GLU 55 10.841 10.301 7.091 177 1HB GLU 55 2HB GLU 55 12.806 8.978 8.745 178 2HB GLU 55 3HB GLU 55 13.251 8.680 7.065 179 1HG GLU 55 2HG GLU 55 13.199 11.092 6.598 180 2HG GLU 55 3HG GLU 55 12.629 11.425 8.246 181 H ALA 56 H ALA 56 11.496 9.858 4.877 182 HA ALA 56 HA ALA 56 10.204 7.578 3.637 183 1HB ALA 56 1HB ALA 56 11.191 8.485 1.558 184 2HB ALA 56 2HB ALA 56 10.431 9.773 2.504 185 3HB ALA 56 3HB ALA 56 12.197 9.594 2.509 186 H GLY 57 H GLY 57 11.647 6.154 2.037 187 1HA GLY 57 1HA GLY 57 13.247 4.540 1.857 188 2HA GLY 57 2HA GLY 57 14.353 5.648 2.682 189 H GLN 58 H GLN 58 11.334 4.181 3.921 190 HA GLN 58 HA GLN 58 12.867 2.323 5.667 191 1HB GLN 58 2HB GLN 58 10.463 4.030 6.463 192 2HB GLN 58 3HB GLN 58 11.090 2.658 7.392 193 1HG GLN 58 2HG GLN 58 13.292 3.814 7.600 194 2HG GLN 58 3HG GLN 58 12.610 5.234 6.785 195 1HE2 GLN 58 1HE2 GLN 58 10.634 6.226 7.803 196 2HE2 GLN 58 2HE2 GLN 58 10.431 6.061 9.558 197 H ARG 59 H ARG 59 11.599 0.423 6.179 198 HA ARG 59 HA ARG 59 9.683 -0.291 4.035 199 1HB ARG 59 2HB ARG 59 11.669 -1.725 4.282 200 2HB ARG 59 3HB ARG 59 11.221 -2.051 5.969 201 1HG ARG 59 2HG ARG 59 9.113 -3.131 5.215 202 2HG ARG 59 3HG ARG 59 9.465 -2.672 3.542 203 1HD ARG 59 2HD ARG 59 9.981 -5.021 3.915 204 2HD ARG 59 3HD ARG 59 11.433 -4.086 3.500 205 HE ARG 59 HE ARG 59 11.131 -4.233 6.374 206 1HH1 ARG 59 2HH2 ARG 59 11.948 -6.307 3.628 207 2HH1 ARG 59 1HH2 ARG 59 13.147 -7.224 4.481 208 1HH2 ARG 59 1HH1 ARG 59 12.612 -5.373 7.504 209 2HH2 ARG 59 2HH1 ARG 59 13.577 -6.668 6.806 210 H ILE 60 H ILE 60 7.551 -0.575 4.529 211 HA ILE 60 HA ILE 60 6.779 -1.216 7.295 212 HB ILE 60 HB ILE 60 5.012 0.406 7.402 213 1HG1 ILE 60 2HG1 ILE 60 6.045 1.638 4.812 214 2HG1 ILE 60 3HG1 ILE 60 4.573 0.668 4.955 215 1HG2 ILE 60 1HG2 ILE 60 7.295 0.987 8.273 216 2HG2 ILE 60 2HG2 ILE 60 7.581 1.917 6.786 217 3HG2 ILE 60 3HG2 ILE 60 6.289 2.386 7.907 218 1HD1 ILE 60 1HD1 ILE 60 3.667 2.286 6.625 219 2HD1 ILE 60 2HD1 ILE 60 5.053 3.351 6.297 220 3HD1 ILE 60 3HD1 ILE 60 3.911 2.965 5.009 221 H ARG 61 H ARG 61 4.433 -1.960 7.320 222 HA ARG 61 HA ARG 61 3.670 -3.030 4.651 223 1HB ARG 61 2HB ARG 61 2.931 -4.334 7.249 224 2HB ARG 61 3HB ARG 61 2.858 -4.974 5.620 225 1HG ARG 61 2HG ARG 61 5.363 -4.841 5.511 226 2HG ARG 61 3HG ARG 61 5.428 -4.314 7.188 227 1HD ARG 61 2HD ARG 61 4.074 -6.931 6.454 228 2HD ARG 61 3HD ARG 61 5.841 -6.748 6.678 229 HE ARG 61 HE ARG 61 4.173 -5.759 8.865 230 1HH1 ARG 61 2HH2 ARG 61 5.357 -8.675 7.267 231 2HH1 ARG 61 1HH2 ARG 61 5.665 -9.561 8.734 232 1HH2 ARG 61 1HH1 ARG 61 4.525 -6.943 10.871 233 2HH2 ARG 61 2HH1 ARG 61 5.244 -8.517 10.829 234 H VAL 62 H VAL 62 1.988 -2.007 3.861 235 HA VAL 62 HA VAL 62 0.259 -0.433 5.692 236 HB VAL 62 HB VAL 62 0.927 0.731 3.729 237 1HG1 VAL 62 1HG1 VAL 62 -0.389 -1.437 2.059 238 2HG1 VAL 62 2HG1 VAL 62 0.266 0.098 1.473 239 3HG1 VAL 62 3HG1 VAL 62 1.366 -1.104 2.141 240 1HG2 VAL 62 1HG2 VAL 62 -1.261 1.359 2.869 241 2HG2 VAL 62 2HG2 VAL 62 -1.994 -0.123 3.502 242 3HG2 VAL 62 3HG2 VAL 62 -1.347 1.096 4.624 243 H GLY 63 H GLY 63 -1.665 -1.286 6.417 244 1HA GLY 63 1HA GLY 63 -2.789 -3.699 5.042 245 2HA GLY 63 2HA GLY 63 -2.404 -3.687 6.776 246 H GLY 64 H GLY 64 -4.936 -3.456 4.678 247 1HA GLY 64 1HA GLY 64 -6.784 -2.358 6.506 248 2HA GLY 64 2HA GLY 64 -6.267 -1.055 5.411 249 H MET 65 H MET 65 -8.316 -0.981 4.352 250 HA MET 65 HA MET 65 -9.107 -3.435 2.864 251 1HB MET 65 2HB MET 65 -11.294 -2.428 2.525 252 2HB MET 65 3HB MET 65 -10.904 -2.852 4.181 253 1HG MET 65 2HG MET 65 -10.143 -0.125 3.930 254 2HG MET 65 3HG MET 65 -11.639 -0.275 3.036 255 1HE MET 65 1HE MET 65 -10.847 -2.488 6.395 256 2HE MET 65 2HE MET 65 -9.829 -1.040 6.414 257 3HE MET 65 3HE MET 65 -11.174 -1.189 7.557 258 H VAL 66 H VAL 66 -9.069 -3.444 0.676 259 HA VAL 66 HA VAL 66 -7.696 -1.257 -0.699 260 HB VAL 66 HB VAL 66 -7.940 -2.601 -2.651 261 1HG1 VAL 66 1HG1 VAL 66 -6.205 -3.364 -1.027 262 2HG1 VAL 66 2HG1 VAL 66 -7.383 -4.457 -0.270 263 3HG1 VAL 66 3HG1 VAL 66 -6.891 -4.731 -1.934 264 1HG2 VAL 66 1HG2 VAL 66 -9.210 -4.803 -2.532 265 2HG2 VAL 66 2HG2 VAL 66 -9.941 -4.167 -1.035 266 3HG2 VAL 66 3HG2 VAL 66 -10.169 -3.309 -2.572 267 H THR 67 H THR 67 -8.741 -0.062 -2.448 268 HA THR 67 HA THR 67 -11.351 0.948 -1.663 269 HB THR 67 HB THR 67 -9.607 1.529 -4.076 270 HG1 THR 67 1HG THR 67 -8.419 1.974 -2.308 271 1HG2 THR 67 1HG2 THR 67 -11.714 2.654 -4.506 272 2HG2 THR 67 2HG2 THR 67 -11.891 3.097 -2.787 273 3HG2 THR 67 3HG2 THR 67 -10.661 3.862 -3.807 274 H VAL 68 H VAL 68 -11.304 0.786 -5.086 275 HA VAL 68 HA VAL 68 -12.714 -1.709 -5.315 276 HB VAL 68 HB VAL 68 -14.450 -0.494 -4.210 277 1HG1 VAL 68 1HG1 VAL 68 -14.492 1.579 -6.435 278 2HG1 VAL 68 2HG1 VAL 68 -15.556 1.455 -5.036 279 3HG1 VAL 68 3HG1 VAL 68 -13.857 1.856 -4.792 280 1HG2 VAL 68 1HG2 VAL 68 -15.057 -0.812 -7.164 281 2HG2 VAL 68 2HG2 VAL 68 -15.027 -2.108 -5.947 282 3HG2 VAL 68 3HG2 VAL 68 -16.229 -0.809 -5.830 283 H GLY 69 H GLY 69 -12.518 1.536 -6.905 284 1HA GLY 69 1HA GLY 69 -12.071 0.196 -9.516 285 2HA GLY 69 2HA GLY 69 -12.398 1.902 -9.215 286 H SER 70 H SER 70 -10.151 1.547 -6.967 287 HA SER 70 HA SER 70 -8.406 3.104 -8.347 288 1HB SER 70 2HB SER 70 -7.790 1.566 -5.816 289 2HB SER 70 3HB SER 70 -7.100 3.114 -6.379 290 HG SER 70 HG SER 70 -8.824 3.539 -4.954 291 H MET 71 H MET 71 -8.389 -0.386 -8.313 292 HA MET 71 HA MET 71 -5.562 -0.800 -8.565 293 1HB MET 71 2HB MET 71 -7.122 -2.478 -7.664 294 2HB MET 71 3HB MET 71 -7.938 -2.556 -9.228 295 1HG MET 71 2HG MET 71 -6.606 -4.489 -8.930 296 2HG MET 71 3HG MET 71 -5.962 -3.568 -10.271 297 1HE MET 71 1HE MET 71 -4.000 -1.748 -9.705 298 2HE MET 71 2HE MET 71 -2.510 -2.582 -9.242 299 3HE MET 71 3HE MET 71 -3.547 -3.208 -10.563 300 H VAL 72 H VAL 72 -4.663 0.349 -10.346 301 HA VAL 72 HA VAL 72 -5.837 -0.243 -13.043 302 HB VAL 72 HB VAL 72 -4.595 1.682 -13.875 303 1HG1 VAL 72 1HG1 VAL 72 -6.998 1.820 -13.299 304 2HG1 VAL 72 2HG1 VAL 72 -6.579 2.335 -11.651 305 3HG1 VAL 72 3HG1 VAL 72 -6.172 3.365 -13.036 306 1HG2 VAL 72 1HG2 VAL 72 -4.096 2.372 -10.951 307 2HG2 VAL 72 2HG2 VAL 72 -2.867 1.963 -12.180 308 3HG2 VAL 72 3HG2 VAL 72 -3.824 3.440 -12.339 309 H ARG 73 H ARG 73 -4.630 -1.430 -14.404 310 HA ARG 73 HA ARG 73 -1.977 -2.348 -13.465 311 1HB ARG 73 2HB ARG 73 -2.574 -4.626 -13.948 312 2HB ARG 73 3HB ARG 73 -3.831 -3.962 -12.893 313 1HG ARG 73 2HG ARG 73 -5.067 -3.494 -15.213 314 2HG ARG 73 3HG ARG 73 -3.924 -4.701 -15.814 315 1HD ARG 73 2HD ARG 73 -5.804 -6.013 -15.202 316 2HD ARG 73 3HD ARG 73 -4.706 -6.192 -13.849 317 HE ARG 73 HE ARG 73 -6.197 -5.126 -12.464 318 1HH1 ARG 73 2HH2 ARG 73 -7.079 -4.461 -15.799 319 2HH1 ARG 73 1HH2 ARG 73 -8.587 -3.679 -15.435 320 1HH2 ARG 73 1HH1 ARG 73 -8.133 -3.931 -11.908 321 2HH2 ARG 73 2HH1 ARG 73 -9.194 -3.391 -13.152 322 H ASP 74 H ASP 74 -0.479 -2.707 -15.160 323 HA ASP 74 HA ASP 74 -1.244 -1.336 -17.640 324 1HB ASP 74 2HB ASP 74 1.244 -1.965 -16.176 325 2HB ASP 74 3HB ASP 74 1.377 -2.110 -17.922 326 HA PRO 75 HA PRO 75 -1.757 -5.114 -20.014 327 1HB PRO 75 2HB PRO 75 -1.032 -4.279 -22.519 328 2HB PRO 75 3HB PRO 75 -2.553 -3.771 -21.731 329 1HG PRO 75 2HG PRO 75 0.072 -2.252 -21.809 330 2HG PRO 75 3HG PRO 75 -1.555 -1.637 -22.217 331 1HD PRO 75 2HD PRO 75 -0.465 -1.229 -19.779 332 2HD PRO 75 3HD PRO 75 -2.207 -1.612 -19.922 333 H ASN 76 H ASN 76 1.230 -3.241 -20.012 334 HA ASN 76 HA ASN 76 3.186 -4.852 -21.001 335 1HB ASN 76 2HB ASN 76 3.467 -3.696 -18.217 336 2HB ASN 76 3HB ASN 76 4.712 -3.853 -19.462 337 1HD2 ASN 76 1HD2 ASN 76 4.054 -1.501 -17.904 338 2HD2 ASN 76 2HD2 ASN 76 3.049 -0.405 -18.815 339 H SER 77 H SER 77 1.380 -5.275 -17.975 340 HA SER 77 HA SER 77 0.958 -6.998 -16.683 341 1HB SER 77 2HB SER 77 2.538 -8.801 -18.568 342 2HB SER 77 3HB SER 77 1.400 -9.291 -17.325 343 HG SER 77 HG SER 77 0.725 -7.625 -19.542 344 H LEU 78 H LEU 78 3.731 -5.490 -16.689 345 HA LEU 78 HA LEU 78 4.473 -6.853 -14.182 346 1HB LEU 78 2HB LEU 78 6.829 -6.262 -14.452 347 2HB LEU 78 3HB LEU 78 6.253 -7.580 -15.446 348 HG LEU 78 HG LEU 78 7.938 -5.894 -16.421 349 1HD1 LEU 78 1HD1 LEU 78 6.954 -7.664 -17.716 350 2HD1 LEU 78 2HD1 LEU 78 5.487 -6.718 -17.985 351 3HD1 LEU 78 3HD1 LEU 78 7.019 -6.184 -18.691 352 1HD2 LEU 78 1HD2 LEU 78 6.851 -3.788 -15.902 353 2HD2 LEU 78 2HD2 LEU 78 6.998 -3.987 -17.650 354 3HD2 LEU 78 3HD2 LEU 78 5.428 -4.231 -16.874 355 H HIS 79 H HID 79 2.629 -4.694 -14.669 356 HA HIS 79 HA HID 79 3.746 -2.942 -12.642 357 1HB HIS 79 2HB HID 79 3.291 -2.067 -15.483 358 2HB HIS 79 3HB HID 79 2.788 -0.973 -14.194 359 HD1 HIS 79 1HD HID 79 5.167 -1.173 -12.197 360 HD2 HIS 79 2HD HID 79 5.541 -1.220 -16.387 361 HE1 HIS 79 1HE HID 79 7.548 -0.418 -12.724 362 H VAL 80 H VAL 80 2.264 -2.457 -11.198 363 HA VAL 80 HA VAL 80 -0.596 -2.257 -11.861 364 HB VAL 80 HB VAL 80 -0.731 -3.841 -9.671 365 1HG1 VAL 80 1HG1 VAL 80 -1.321 -5.744 -11.096 366 2HG1 VAL 80 2HG1 VAL 80 -1.986 -4.231 -11.713 367 3HG1 VAL 80 3HG1 VAL 80 -0.568 -4.956 -12.496 368 1HG2 VAL 80 1HG2 VAL 80 1.480 -5.198 -11.237 369 2HG2 VAL 80 2HG2 VAL 80 1.769 -4.325 -9.721 370 3HG2 VAL 80 3HG2 VAL 80 0.706 -5.738 -9.748 371 H GLN 81 H GLN 81 -1.527 -0.540 -10.633 372 HA GLN 81 HA GLN 81 -0.278 -0.167 -7.948 373 1HB GLN 81 2HB GLN 81 -0.226 2.258 -8.212 374 2HB GLN 81 3HB GLN 81 0.893 1.442 -9.325 375 1HG GLN 81 2HG GLN 81 -0.688 1.694 -11.177 376 2HG GLN 81 3HG GLN 81 -1.893 2.380 -10.066 377 1HE2 GLN 81 1HE2 GLN 81 -2.145 4.404 -10.942 378 2HE2 GLN 81 2HE2 GLN 81 -0.803 5.495 -11.194 379 H PHE 82 H PHE 82 -1.593 0.585 -6.359 380 HA PHE 82 HA PHE 82 -4.476 0.903 -7.023 381 1HB PHE 82 2HB PHE 82 -5.102 -0.752 -5.336 382 2HB PHE 82 3HB PHE 82 -4.199 -1.482 -6.640 383 HD1 PHE 82 1HD PHE 82 -4.113 -0.572 -3.047 384 HD2 PHE 82 2HD PHE 82 -1.952 -2.417 -6.291 385 HE1 PHE 82 1HE PHE 82 -2.837 -1.956 -1.423 386 HE2 PHE 82 2HE PHE 82 -0.632 -3.724 -4.660 387 HZ PHE 82 HZ PHE 82 -1.225 -3.655 -2.241 388 H ALA 83 H ALA 83 -5.708 1.667 -5.169 389 HA ALA 83 HA ALA 83 -4.073 3.197 -3.205 390 1HB ALA 83 1HB ALA 83 -5.885 4.773 -3.006 391 2HB ALA 83 2HB ALA 83 -5.344 4.702 -4.693 392 3HB ALA 83 3HB ALA 83 -6.850 3.894 -4.199 393 H VAL 84 H VAL 84 -4.310 2.564 -1.184 394 HA VAL 84 HA VAL 84 -6.596 0.740 -0.471 395 HB VAL 84 HB VAL 84 -4.425 -0.441 -0.663 396 1HG1 VAL 84 1HG1 VAL 84 -2.959 1.435 0.136 397 2HG1 VAL 84 2HG1 VAL 84 -3.589 1.155 1.765 398 3HG1 VAL 84 3HG1 VAL 84 -2.656 -0.110 0.953 399 1HG2 VAL 84 1HG2 VAL 84 -6.073 -1.426 0.790 400 2HG2 VAL 84 2HG2 VAL 84 -4.488 -1.593 1.532 401 3HG2 VAL 84 3HG2 VAL 84 -5.613 -0.365 2.136 402 H HIS 85 H HID 85 -7.506 1.045 1.628 403 HA HIS 85 HA HID 85 -6.799 3.534 3.041 404 1HB HIS 85 2HB HID 85 -8.856 4.580 2.731 405 2HB HIS 85 3HB HID 85 -8.341 4.067 1.116 406 HD1 HIS 85 1HD HID 85 -11.393 4.450 2.758 407 HD2 HIS 85 2HD HID 85 -9.579 1.401 0.516 408 HE1 HIS 85 1HE HID 85 -13.274 2.943 1.923 409 H ASP 86 H ASP 86 -8.682 3.741 4.906 410 HA ASP 86 HA ASP 86 -9.083 0.970 5.962 411 1HB ASP 86 2HB ASP 86 -7.159 2.344 7.028 412 2HB ASP 86 3HB ASP 86 -8.453 3.324 7.751 413 H SER 87 H SER 87 -10.723 3.212 4.585 414 HA SER 87 HA SER 87 -12.734 4.237 4.726 415 1HB SER 87 2HB SER 87 -13.398 1.831 4.685 416 2HB SER 87 3HB SER 87 -13.494 1.857 6.462 417 HG SER 87 HG SER 87 -14.998 3.606 6.197 418 H LEU 88 H LEU 88 -10.731 4.938 6.860 419 HA LEU 88 HA LEU 88 -12.641 6.181 8.779 420 1HB LEU 88 2HB LEU 88 -9.694 5.573 8.949 421 2HB LEU 88 3HB LEU 88 -10.287 7.078 9.649 422 HG LEU 88 HG LEU 88 -12.071 5.694 10.879 423 1HD1 LEU 88 1HD1 LEU 88 -10.097 3.475 10.205 424 2HD1 LEU 88 2HD1 LEU 88 -11.450 3.352 11.345 425 3HD1 LEU 88 3HD1 LEU 88 -11.770 3.569 9.616 426 1HD2 LEU 88 1HD2 LEU 88 -9.127 5.415 11.585 427 2HD2 LEU 88 2HD2 LEU 88 -10.198 6.774 11.998 428 3HD2 LEU 88 3HD2 LEU 88 -10.492 5.176 12.699 429 H GLY 89 H GLY 89 -9.560 7.360 7.323 430 1HA GLY 89 1HA GLY 89 -10.854 9.297 5.616 431 2HA GLY 89 2HA GLY 89 -10.374 10.005 7.173 432 H GLY 90 H GLY 90 -9.172 8.013 4.427 433 1HA GLY 90 1HA GLY 90 -7.148 9.497 3.630 434 2HA GLY 90 2HA GLY 90 -6.371 8.638 4.986 435 H GLU 91 H GLU 91 -6.455 8.572 1.833 436 HA GLU 91 HA GLU 91 -6.441 5.614 1.510 437 1HB GLU 91 2HB GLU 91 -6.992 7.752 -0.604 438 2HB GLU 91 3HB GLU 91 -7.111 5.995 -0.772 439 1HG GLU 91 2HG GLU 91 -9.346 6.721 -0.578 440 2HG GLU 91 3HG GLU 91 -8.978 6.134 1.042 441 H ILE 92 H ILE 92 -4.464 4.825 0.756 442 HA ILE 92 HA ILE 92 -2.372 6.837 0.044 443 HB ILE 92 HB ILE 92 -2.458 5.618 2.416 444 1HG1 ILE 92 2HG1 ILE 92 -0.878 7.345 1.751 445 2HG1 ILE 92 3HG1 ILE 92 -0.197 6.086 2.770 446 1HG2 ILE 92 1HG2 ILE 92 -0.995 3.704 2.548 447 2HG2 ILE 92 2HG2 ILE 92 -2.426 3.348 1.569 448 3HG2 ILE 92 3HG2 ILE 92 -0.857 3.606 0.786 449 1HD1 ILE 92 1HD1 ILE 92 1.407 6.679 1.152 450 2HD1 ILE 92 2HD1 ILE 92 0.872 5.032 0.786 451 3HD1 ILE 92 3HD1 ILE 92 0.306 6.403 -0.201 452 H LEU 93 H LEU 93 -1.056 6.302 -1.642 453 HA LEU 93 HA LEU 93 -2.121 4.208 -3.394 454 1HB LEU 93 2HB LEU 93 -0.470 6.711 -3.707 455 2HB LEU 93 3HB LEU 93 -0.219 5.448 -4.912 456 HG LEU 93 HG LEU 93 -3.013 6.438 -4.278 457 1HD1 LEU 93 1HD1 LEU 93 -1.134 7.516 -6.428 458 2HD1 LEU 93 2HD1 LEU 93 -2.824 7.974 -6.176 459 3HD1 LEU 93 3HD1 LEU 93 -1.611 8.397 -4.955 460 1HD2 LEU 93 1HD2 LEU 93 -3.429 5.615 -6.590 461 2HD2 LEU 93 2HD2 LEU 93 -1.714 5.178 -6.754 462 3HD2 LEU 93 3HD2 LEU 93 -2.751 4.316 -5.599 463 H VAL 94 H VAL 94 -1.183 2.351 -3.713 464 HA VAL 94 HA VAL 94 1.585 1.817 -2.779 465 HB VAL 94 HB VAL 94 -0.766 -0.077 -3.204 466 1HG1 VAL 94 1HG1 VAL 94 1.431 -1.170 -3.404 467 2HG1 VAL 94 2HG1 VAL 94 1.941 -0.445 -1.858 468 3HG1 VAL 94 3HG1 VAL 94 0.641 -1.655 -1.894 469 1HG2 VAL 94 1HG2 VAL 94 -1.314 1.393 -1.349 470 2HG2 VAL 94 2HG2 VAL 94 -0.849 -0.189 -0.709 471 3HG2 VAL 94 3HG2 VAL 94 0.299 1.171 -0.639 472 H THR 95 H THR 95 3.009 1.635 -4.465 473 HA THR 95 HA THR 95 1.935 0.926 -7.161 474 HB THR 95 HB THR 95 4.219 1.778 -7.869 475 HG1 THR 95 1HG THR 95 5.425 2.848 -6.376 476 1HG2 THR 95 1HG2 THR 95 2.392 3.707 -6.350 477 2HG2 THR 95 2HG2 THR 95 3.585 4.170 -7.588 478 3HG2 THR 95 3HG2 THR 95 2.179 3.187 -8.036 479 H TYR 96 H TYR 96 2.625 -0.955 -8.182 480 HA TYR 96 HA TYR 96 4.572 -2.698 -6.800 481 1HB TYR 96 2HB TYR 96 2.145 -2.976 -6.069 482 2HB TYR 96 3HB TYR 96 1.755 -3.484 -7.690 483 HD1 TYR 96 HD1 TYR 96 2.143 -4.669 -4.524 484 HD2 TYR 96 HD2 TYR 96 3.585 -5.508 -8.495 485 HE1 TYR 96 HE1 TYR 96 2.454 -7.054 -3.934 486 HE2 TYR 96 HE2 TYR 96 3.908 -7.882 -7.870 487 HH TYR 96 HH TYR 96 3.948 -9.057 -4.941 488 H ASP 97 H ASP 97 5.827 -3.868 -8.238 489 HA ASP 97 HA ASP 97 5.584 -3.274 -11.083 490 1HB ASP 97 2HB ASP 97 7.681 -4.689 -11.144 491 2HB ASP 97 3HB ASP 97 7.754 -3.211 -10.175 492 H ASP 98 H ASP 98 6.397 -6.546 -9.951 493 HA ASP 98 HA ASP 98 5.235 -7.761 -12.102 494 1HB ASP 98 2HB ASP 98 6.901 -8.605 -10.291 495 2HB ASP 98 3HB ASP 98 5.474 -9.209 -9.448 496 H LEU 99 H LEU 99 3.560 -9.614 -11.999 497 HA LEU 99 HA LEU 99 0.942 -8.480 -11.642 498 1HB LEU 99 2HB LEU 99 1.821 -11.361 -11.889 499 2HB LEU 99 3HB LEU 99 0.141 -10.833 -11.942 500 HG LEU 99 HG LEU 99 1.637 -9.200 -13.796 501 1HD1 LEU 99 1HD1 LEU 99 1.985 -12.203 -14.216 502 2HD1 LEU 99 2HD1 LEU 99 2.363 -10.942 -15.408 503 3HD1 LEU 99 3HD1 LEU 99 3.279 -11.029 -13.898 504 1HD2 LEU 99 1HD2 LEU 99 -0.780 -9.652 -13.896 505 2HD2 LEU 99 2HD2 LEU 99 0.028 -10.072 -15.417 506 3HD2 LEU 99 3HD2 LEU 99 -0.448 -11.357 -14.286 507 H LEU 100 H LEU 100 0.041 -7.996 -9.788 508 HA LEU 100 HA LEU 100 0.578 -8.996 -7.222 509 1HB LEU 100 2HB LEU 100 -1.845 -7.742 -8.574 510 2HB LEU 100 3HB LEU 100 -1.993 -8.306 -6.914 511 HG LEU 100 HG LEU 100 0.351 -6.536 -7.597 512 1HD1 LEU 100 1HD1 LEU 100 -1.812 -5.438 -8.491 513 2HD1 LEU 100 2HD1 LEU 100 -2.298 -5.294 -6.791 514 3HD1 LEU 100 3HD1 LEU 100 -0.815 -4.517 -7.343 515 1HD2 LEU 100 1HD2 LEU 100 -0.072 -5.811 -5.246 516 2HD2 LEU 100 2HD2 LEU 100 -1.447 -6.913 -5.150 517 3HD2 LEU 100 3HD2 LEU 100 0.190 -7.559 -5.378 518 HA PRO 101 HA PRO 101 -1.203 -13.108 -7.408 519 1HB PRO 101 2HB PRO 101 -2.066 -13.531 -4.836 520 2HB PRO 101 3HB PRO 101 -0.335 -13.483 -5.287 521 1HG PRO 101 2HG PRO 101 -2.009 -11.223 -4.164 522 2HG PRO 101 3HG PRO 101 -0.408 -11.792 -3.601 523 1HD PRO 101 2HD PRO 101 -0.689 -9.671 -5.290 524 2HD PRO 101 3HD PRO 101 0.682 -10.804 -5.490 525 H ASP 102 H ASP 102 -3.217 -14.046 -7.728 526 HA ASP 102 HA ASP 102 -5.331 -13.980 -8.585 527 1HB ASP 102 2HB ASP 102 -5.777 -12.864 -5.779 528 2HB ASP 102 3HB ASP 102 -7.017 -13.480 -6.881 529 H LEU 103 H LEU 103 -3.875 -11.816 -9.482 530 HA LEU 103 HA LEU 103 -3.858 -9.894 -10.450 531 1HB LEU 103 2HB LEU 103 -5.567 -9.284 -11.837 532 2HB LEU 103 3HB LEU 103 -5.827 -11.004 -11.621 533 HG LEU 103 HG LEU 103 -7.394 -9.577 -9.605 534 1HD1 LEU 103 1HD1 LEU 103 -7.779 -8.566 -12.433 535 2HD1 LEU 103 2HD1 LEU 103 -8.836 -8.242 -11.036 536 3HD1 LEU 103 3HD1 LEU 103 -7.176 -7.625 -11.052 537 1HD2 LEU 103 1HD2 LEU 103 -7.937 -11.806 -10.540 538 2HD2 LEU 103 2HD2 LEU 103 -9.275 -10.657 -10.714 539 3HD2 LEU 103 3HD2 LEU 103 -8.262 -11.053 -12.120 540 H PHE 104 H PHE 104 -4.622 -9.942 -7.400 541 HA PHE 104 HA PHE 104 -5.315 -8.595 -5.755 542 1HB PHE 104 2HB PHE 104 -3.758 -6.926 -6.597 543 2HB PHE 104 3HB PHE 104 -4.974 -6.286 -7.687 544 HD1 PHE 104 1HD PHE 104 -3.678 -6.212 -4.291 545 HD2 PHE 104 2HD PHE 104 -7.057 -5.145 -6.761 546 HE1 PHE 104 1HE PHE 104 -4.126 -4.235 -2.874 547 HE2 PHE 104 2HE PHE 104 -7.449 -3.156 -5.368 548 HZ PHE 104 HZ PHE 104 -5.859 -2.604 -3.523 549 H ARG 105 H ARG 105 -7.355 -9.416 -5.530 550 HA ARG 105 HA ARG 105 -9.586 -8.439 -7.207 551 1HB ARG 105 2HB ARG 105 -9.492 -10.009 -4.607 552 2HB ARG 105 3HB ARG 105 -10.985 -9.441 -5.352 553 1HG ARG 105 2HG ARG 105 -11.103 -11.307 -6.492 554 2HG ARG 105 3HG ARG 105 -9.690 -10.808 -7.435 555 1HD ARG 105 2HD ARG 105 -8.192 -11.914 -5.939 556 2HD ARG 105 3HD ARG 105 -9.417 -12.250 -4.735 557 HE ARG 105 HE ARG 105 -8.895 -13.716 -7.209 558 1HH1 ARG 105 2HH2 ARG 105 -11.271 -13.094 -4.687 559 2HH1 ARG 105 1HH2 ARG 105 -12.171 -14.558 -4.934 560 1HH2 ARG 105 1HH1 ARG 105 -10.049 -15.649 -7.589 561 2HH2 ARG 105 2HH1 ARG 105 -11.501 -16.011 -6.709 562 H GLU 106 H GLU 106 -11.124 -6.981 -6.536 563 HA GLU 106 HA GLU 106 -10.177 -4.860 -4.787 564 1HB GLU 106 2HB GLU 106 -12.694 -4.914 -6.495 565 2HB GLU 106 3HB GLU 106 -11.715 -3.552 -5.958 566 1HG GLU 106 2HG GLU 106 -11.011 -3.689 -8.133 567 2HG GLU 106 3HG GLU 106 -9.787 -4.704 -7.383 568 H GLY 107 H GLY 107 -11.921 -3.742 -3.399 569 1HA GLY 107 1HA GLY 107 -12.933 -3.865 -1.362 570 2HA GLY 107 2HA GLY 107 -14.179 -4.700 -2.300 571 H GLN 108 H GLN 108 -10.911 -5.723 -1.148 572 HA GLN 108 HA GLN 108 -11.996 -7.669 0.745 573 1HB GLN 108 2HB GLN 108 -10.899 -9.547 -0.304 574 2HB GLN 108 3HB GLN 108 -12.221 -8.912 -1.284 575 1HG GLN 108 2HG GLN 108 -10.860 -8.857 -3.047 576 2HG GLN 108 3HG GLN 108 -9.997 -7.526 -2.296 577 1HE2 GLN 108 1HE2 GLN 108 -7.976 -8.023 -3.152 578 2HE2 GLN 108 2HE2 GLN 108 -7.067 -9.452 -2.636 579 H GLY 109 H GLY 109 -10.842 -6.406 2.189 580 1HA GLY 109 1HA GLY 109 -8.451 -5.153 1.829 581 2HA GLY 109 2HA GLY 109 -8.998 -5.699 3.437 582 H ILE 110 H ILE 110 -6.308 -5.444 2.099 583 HA ILE 110 HA ILE 110 -5.202 -8.093 2.717 584 HB ILE 110 HB ILE 110 -3.843 -8.234 0.709 585 1HG1 ILE 110 2HG1 ILE 110 -5.035 -6.868 -1.334 586 2HG1 ILE 110 3HG1 ILE 110 -5.108 -5.651 -0.052 587 1HG2 ILE 110 1HG2 ILE 110 -6.674 -8.165 -0.254 588 2HG2 ILE 110 2HG2 ILE 110 -5.382 -9.288 -0.670 589 3HG2 ILE 110 3HG2 ILE 110 -6.143 -9.370 0.931 590 1HD1 ILE 110 1HD1 ILE 110 -3.019 -5.518 -1.386 591 2HD1 ILE 110 2HD1 ILE 110 -2.647 -5.939 0.293 592 3HD1 ILE 110 3HD1 ILE 110 -2.645 -7.198 -0.970 593 H VAL 111 H VAL 111 -2.743 -7.943 2.644 594 HA VAL 111 HA VAL 111 -1.924 -5.286 3.770 595 HB VAL 111 HB VAL 111 -0.253 -6.598 5.027 596 1HG1 VAL 111 1HG1 VAL 111 -2.282 -5.775 6.135 597 2HG1 VAL 111 2HG1 VAL 111 -3.176 -7.225 5.659 598 3HG1 VAL 111 3HG1 VAL 111 -1.818 -7.340 6.801 599 1HG2 VAL 111 1HG2 VAL 111 -2.023 -9.018 4.475 600 2HG2 VAL 111 2HG2 VAL 111 -0.498 -8.727 3.634 601 3HG2 VAL 111 3HG2 VAL 111 -0.507 -8.971 5.391 602 H ALA 112 H ALA 112 -0.127 -4.361 2.905 603 HA ALA 112 HA ALA 112 1.297 -5.804 0.707 604 1HB ALA 112 1HB ALA 112 1.306 -3.833 -0.605 605 2HB ALA 112 2HB ALA 112 -0.381 -4.060 -0.073 606 3HB ALA 112 3HB ALA 112 0.646 -2.851 0.704 607 H GLN 113 H GLN 113 3.480 -5.970 1.100 608 HA GLN 113 HA GLN 113 4.617 -4.238 3.234 609 1HB GLN 113 2HB GLN 113 5.829 -6.678 2.003 610 2HB GLN 113 3HB GLN 113 6.277 -5.887 3.501 611 1HG GLN 113 2HG GLN 113 4.078 -6.535 4.452 612 2HG GLN 113 3HG GLN 113 3.614 -7.343 2.996 613 1HE2 GLN 113 1HE2 GLN 113 5.156 -8.902 2.068 614 2HE2 GLN 113 2HE2 GLN 113 5.947 -10.048 3.157 615 H GLY 114 H GLY 114 6.018 -2.608 2.665 616 1HA GLY 114 1HA GLY 114 7.452 -2.739 0.113 617 2HA GLY 114 2HA GLY 114 6.106 -1.563 0.196 618 H VAL 115 H VAL 115 8.467 -0.619 -0.358 619 HA VAL 115 HA VAL 115 9.509 0.594 2.145 620 HB VAL 115 HB VAL 115 11.142 -0.845 1.021 621 1HG1 VAL 115 1HG1 VAL 115 10.434 -0.562 -1.335 622 2HG1 VAL 115 2HG1 VAL 115 11.014 1.120 -1.302 623 3HG1 VAL 115 3HG1 VAL 115 12.154 -0.223 -1.100 624 1HG2 VAL 115 1HG2 VAL 115 12.996 0.762 0.982 625 2HG2 VAL 115 2HG2 VAL 115 11.846 2.114 0.977 626 3HG2 VAL 115 3HG2 VAL 115 11.934 1.008 2.369 627 H LEU 116 H LEU 116 9.522 2.773 2.301 628 HA LEU 116 HA LEU 116 7.795 4.254 0.462 629 1HB LEU 116 2HB LEU 116 9.615 5.124 2.752 630 2HB LEU 116 3HB LEU 116 8.728 6.241 1.711 631 HG LEU 116 HG LEU 116 6.671 4.597 2.317 632 1HD1 LEU 116 1HD1 LEU 116 6.754 4.075 4.741 633 2HD1 LEU 116 2HD1 LEU 116 7.861 3.091 3.776 634 3HD1 LEU 116 3HD1 LEU 116 8.490 4.451 4.752 635 1HD2 LEU 116 1HD2 LEU 116 7.671 6.899 4.009 636 2HD2 LEU 116 2HD2 LEU 116 6.701 6.972 2.513 637 3HD2 LEU 116 3HD2 LEU 116 6.018 6.229 3.977 638 H GLY 117 H GLY 117 8.353 4.960 -1.478 639 1HA GLY 117 1HA GLY 117 11.072 4.558 -2.410 640 2HA GLY 117 2HA GLY 117 9.674 5.131 -3.341 641 H GLU 118 H GLU 118 9.212 7.317 -3.472 642 HA GLU 118 HA GLU 118 11.544 9.043 -3.145 643 1HB GLU 118 2HB GLU 118 10.009 8.812 -5.195 644 2HB GLU 118 3HB GLU 118 8.837 9.812 -4.352 645 1HG GLU 118 2HG GLU 118 10.440 11.640 -4.208 646 2HG GLU 118 3HG GLU 118 11.733 10.612 -4.847 647 H ASP 119 H ASP 119 8.101 9.869 -2.512 648 HA ASP 119 HA ASP 119 8.192 9.758 0.244 649 1HB ASP 119 2HB ASP 119 8.065 12.137 0.851 650 2HB ASP 119 3HB ASP 119 9.654 11.749 0.208 651 H GLY 120 H GLY 120 6.203 8.981 0.262 652 1HA GLY 120 1HA GLY 120 3.846 9.789 0.571 653 2HA GLY 120 2HA GLY 120 3.937 10.480 -1.045 654 H LYS 121 H LYS 121 5.435 8.396 -2.288 655 HA LYS 121 HA LYS 121 3.237 6.479 -2.697 656 1HB LYS 121 2HB LYS 121 5.181 7.766 -4.384 657 2HB LYS 121 3HB LYS 121 5.525 6.043 -4.428 658 1HG LYS 121 2HG LYS 121 3.965 6.507 -6.151 659 2HG LYS 121 3HG LYS 121 3.088 5.630 -4.885 660 1HD LYS 121 2HD LYS 121 1.559 7.316 -4.771 661 2HD LYS 121 3HD LYS 121 2.827 8.392 -4.213 662 1HE LYS 121 2HE LYS 121 1.802 9.443 -6.094 663 2HE LYS 121 3HE LYS 121 3.422 8.932 -6.576 664 1HZ LYS 121 1HZ LYS 121 1.818 8.434 -8.255 665 2HZ LYS 121 2HZ LYS 121 2.416 7.025 -7.665 666 3HZ LYS 121 3HZ LYS 121 0.913 7.531 -7.224 667 H LEU 122 H LEU 122 3.265 4.346 -2.161 668 HA LEU 122 HA LEU 122 5.616 3.331 -0.628 669 1HB LEU 122 2HB LEU 122 2.656 2.742 -0.648 670 2HB LEU 122 3HB LEU 122 3.785 1.497 -0.127 671 HG LEU 122 HG LEU 122 2.734 2.999 1.671 672 1HD1 LEU 122 1HD1 LEU 122 4.887 2.988 2.972 673 2HD1 LEU 122 2HD1 LEU 122 4.513 1.451 2.175 674 3HD1 LEU 122 3HD1 LEU 122 5.743 2.528 1.494 675 1HD2 LEU 122 1HD2 LEU 122 3.747 5.066 2.221 676 2HD2 LEU 122 2HD2 LEU 122 4.905 4.972 0.883 677 3HD2 LEU 122 3HD2 LEU 122 3.180 5.191 0.548 678 H ALA 123 H ALA 123 6.995 2.128 -1.771 679 HA ALA 123 HA ALA 123 6.040 0.833 -4.285 680 1HB ALA 123 1HB ALA 123 8.459 0.364 -4.609 681 2HB ALA 123 2HB ALA 123 8.115 2.098 -4.454 682 3HB ALA 123 3HB ALA 123 8.823 1.208 -3.091 683 H ALA 124 H ALA 124 4.974 -1.043 -3.779 684 HA ALA 124 HA ALA 124 6.157 -2.869 -1.711 685 1HB ALA 124 1HB ALA 124 4.040 -1.748 -0.911 686 2HB ALA 124 2HB ALA 124 3.222 -2.400 -2.349 687 3HB ALA 124 3HB ALA 124 3.858 -3.503 -1.126 688 H THR 125 H THR 125 6.606 -4.860 -2.458 689 HA THR 125 HA THR 125 5.075 -5.832 -4.820 690 HB THR 125 HB THR 125 7.214 -5.165 -5.613 691 HG1 THR 125 1HG THR 125 6.253 -6.918 -6.606 692 1HG2 THR 125 1HG2 THR 125 8.408 -7.270 -3.770 693 2HG2 THR 125 2HG2 THR 125 9.254 -6.319 -5.002 694 3HG2 THR 125 3HG2 THR 125 8.596 -5.507 -3.572 695 H GLU 126 H GLU 126 5.721 -6.359 -1.498 696 HA GLU 126 HA GLU 126 5.367 -9.330 -1.802 697 1HB GLU 126 2HB GLU 126 6.591 -7.652 0.391 698 2HB GLU 126 3HB GLU 126 6.397 -9.418 0.421 699 1HG GLU 126 2HG GLU 126 7.996 -9.574 -1.450 700 2HG GLU 126 3HG GLU 126 8.131 -7.804 -1.492 701 H VAL 127 H VAL 127 2.996 -8.752 -2.166 702 HA VAL 127 HA VAL 127 1.610 -7.826 0.284 703 HB VAL 127 HB VAL 127 -0.450 -7.953 -0.993 704 1HG1 VAL 127 1HG1 VAL 127 0.354 -6.303 -2.969 705 2HG1 VAL 127 2HG1 VAL 127 0.156 -5.844 -1.295 706 3HG1 VAL 127 3HG1 VAL 127 1.780 -6.207 -1.912 707 1HG2 VAL 127 1HG2 VAL 127 1.171 -8.891 -3.379 708 2HG2 VAL 127 2HG2 VAL 127 -0.017 -9.829 -2.450 709 3HG2 VAL 127 3HG2 VAL 127 -0.549 -8.419 -3.348 710 H LEU 128 H LEU 128 0.006 -9.021 1.331 711 HA LEU 128 HA LEU 128 -0.033 -11.947 0.753 712 1HB LEU 128 2HB LEU 128 -0.268 -10.968 3.594 713 2HB LEU 128 3HB LEU 128 -0.040 -12.584 2.977 714 HG LEU 128 HG LEU 128 1.863 -11.919 4.142 715 1HD1 LEU 128 1HD1 LEU 128 2.260 -13.248 2.048 716 2HD1 LEU 128 2HD1 LEU 128 2.777 -11.743 1.260 717 3HD1 LEU 128 3HD1 LEU 128 3.659 -12.343 2.660 718 1HD2 LEU 128 1HD2 LEU 128 3.170 -10.067 3.936 719 2HD2 LEU 128 2HD2 LEU 128 2.535 -9.579 2.354 720 3HD2 LEU 128 3HD2 LEU 128 1.556 -9.392 3.819 721 H ALA 129 H ALA 129 -2.076 -12.749 0.667 722 HA ALA 129 HA ALA 129 -4.391 -10.995 1.301 723 1HB ALA 129 1HB ALA 129 -4.214 -13.683 -0.123 724 2HB ALA 129 2HB ALA 129 -5.686 -12.722 0.128 725 3HB ALA 129 3HB ALA 129 -4.383 -12.091 -0.899 726 H LYS 130 H LYS 130 -5.304 -11.265 3.299 727 HA LYS 130 HA LYS 130 -5.285 -13.920 4.604 728 1HB LYS 130 2HB LYS 130 -4.457 -12.996 6.710 729 2HB LYS 130 3HB LYS 130 -3.232 -12.968 5.440 730 1HG LYS 130 2HG LYS 130 -3.621 -10.576 5.043 731 2HG LYS 130 3HG LYS 130 -4.883 -10.531 6.275 732 1HD LYS 130 2HD LYS 130 -1.943 -11.182 6.765 733 2HD LYS 130 3HD LYS 130 -2.745 -9.629 7.069 734 1HE LYS 130 2HE LYS 130 -4.349 -10.869 8.637 735 2HE LYS 130 3HE LYS 130 -3.293 -12.282 8.486 736 1HZ LYS 130 1HZ LYS 130 -2.767 -11.020 10.414 737 2HZ LYS 130 2HZ LYS 130 -1.498 -10.954 9.372 738 3HZ LYS 130 3HZ LYS 130 -2.499 -9.655 9.541 739 H HIS 131 H HID 131 -7.408 -12.827 3.351 740 HA HIS 131 HA HID 131 -9.273 -12.273 5.575 741 1HB HIS 131 2HB HID 131 -8.658 -10.401 3.284 742 2HB HIS 131 3HB HID 131 -10.311 -10.530 3.872 743 HD1 HIS 131 1HD HID 131 -10.920 -9.498 6.190 744 HD2 HIS 131 2HD HID 131 -6.842 -9.348 5.162 745 HE1 HIS 131 1HE HID 131 -9.787 -7.990 7.910 746 H ASP 132 H ASP 132 -10.327 -14.207 5.353 747 HA ASP 132 HA ASP 132 -11.462 -14.984 2.751 748 1HB ASP 132 2HB ASP 132 -12.058 -17.021 4.035 749 2HB ASP 132 3HB ASP 132 -10.318 -16.711 3.985 Start of MODEL 8 1 H SER 32 H SER 32 16.776 -0.339 9.851 2 HA SER 32 HA SER 32 14.770 1.713 10.696 3 1HB SER 32 2HB SER 32 16.032 1.317 7.964 4 2HB SER 32 3HB SER 32 15.111 2.709 8.565 5 HG SER 32 HG SER 32 17.337 3.135 8.706 6 H ASN 33 H ASN 33 14.452 -1.332 10.550 7 HA ASN 33 HA ASN 33 12.370 -1.557 8.449 8 1HB ASN 33 2HB ASN 33 14.081 -3.633 9.859 9 2HB ASN 33 3HB ASN 33 12.648 -4.032 8.898 10 1HD2 ASN 33 1HD2 ASN 33 14.571 -5.313 7.834 11 2HD2 ASN 33 2HD2 ASN 33 15.271 -4.482 6.456 12 H LEU 34 H LEU 34 10.940 -0.310 9.782 13 HA LEU 34 HA LEU 34 9.894 -1.378 12.302 14 1HB LEU 34 2HB LEU 34 8.950 0.689 10.287 15 2HB LEU 34 3HB LEU 34 8.069 0.330 11.782 16 HG LEU 34 HG LEU 34 10.922 1.411 11.655 17 1HD1 LEU 34 1HD1 LEU 34 9.267 3.002 10.736 18 2HD1 LEU 34 2HD1 LEU 34 8.264 2.814 12.190 19 3HD1 LEU 34 3HD1 LEU 34 9.875 3.556 12.303 20 1HD2 LEU 34 1HD2 LEU 34 10.506 0.222 13.767 21 2HD2 LEU 34 2HD2 LEU 34 10.452 1.963 14.067 22 3HD2 LEU 34 3HD2 LEU 34 8.940 1.040 13.956 23 H ASN 35 H ASN 35 9.857 -3.597 11.133 24 HA ASN 35 HA ASN 35 8.039 -3.918 8.949 25 1HB ASN 35 2HB ASN 35 10.121 -5.221 9.279 26 2HB ASN 35 3HB ASN 35 9.396 -6.018 10.685 27 1HD2 ASN 35 1HD2 ASN 35 9.598 -8.118 9.665 28 2HD2 ASN 35 2HD2 ASN 35 8.560 -8.568 8.327 29 H LEU 36 H LEU 36 6.211 -2.904 10.255 30 HA LEU 36 HA LEU 36 4.526 -4.969 11.587 31 1HB LEU 36 2HB LEU 36 4.046 -3.516 13.361 32 2HB LEU 36 3HB LEU 36 5.781 -3.423 13.136 33 HG LEU 36 HG LEU 36 5.176 -1.296 11.614 34 1HD1 LEU 36 1HD1 LEU 36 2.691 -1.758 13.311 35 2HD1 LEU 36 2HD1 LEU 36 3.253 -0.118 13.017 36 3HD1 LEU 36 3HD1 LEU 36 2.829 -1.144 11.648 37 1HD2 LEU 36 1HD2 LEU 36 5.143 -1.243 14.652 38 2HD2 LEU 36 2HD2 LEU 36 6.591 -1.262 13.614 39 3HD2 LEU 36 3HD2 LEU 36 5.497 0.125 13.573 40 H PHE 37 H PHE 37 2.224 -4.315 11.633 41 HA PHE 37 HA PHE 37 1.445 -3.389 8.946 42 1HB PHE 37 2HB PHE 37 -0.110 -4.763 11.162 43 2HB PHE 37 3HB PHE 37 -0.742 -4.351 9.578 44 HD1 PHE 37 1HD PHE 37 0.415 -5.323 7.491 45 HD2 PHE 37 2HD PHE 37 0.970 -6.907 11.463 46 HE1 PHE 37 1HE PHE 37 1.197 -7.477 6.530 47 HE2 PHE 37 2HE PHE 37 1.646 -9.086 10.496 48 HZ PHE 37 HZ PHE 37 1.737 -9.382 8.021 49 H TYR 38 H TYR 38 0.920 -1.312 8.666 50 HA TYR 38 HA TYR 38 -0.475 0.170 10.854 51 1HB TYR 38 2HB TYR 38 1.820 0.865 9.154 52 2HB TYR 38 3HB TYR 38 0.501 1.992 8.909 53 HD1 TYR 38 HD1 TYR 38 -0.718 2.866 11.112 54 HD2 TYR 38 HD2 TYR 38 3.324 1.365 10.913 55 HE1 TYR 38 HE1 TYR 38 -0.175 4.031 13.222 56 HE2 TYR 38 HE2 TYR 38 3.875 2.591 12.989 57 HH TYR 38 HH TYR 38 2.893 3.932 14.803 58 H THR 39 H THR 39 -2.231 1.554 10.238 59 HA THR 39 HA THR 39 -3.793 0.532 8.053 60 HB THR 39 HB THR 39 -5.364 2.351 9.116 61 HG1 THR 39 1HG THR 39 -4.658 2.913 11.212 62 1HG2 THR 39 1HG2 THR 39 -5.943 0.807 10.945 63 2HG2 THR 39 2HG2 THR 39 -5.597 -0.100 9.466 64 3HG2 THR 39 3HG2 THR 39 -4.385 -0.031 10.763 65 HA PRO 40 HA PRO 40 -2.257 3.547 5.193 66 1HB PRO 40 2HB PRO 40 -4.353 3.772 3.408 67 2HB PRO 40 3HB PRO 40 -3.167 2.436 3.484 68 1HG PRO 40 2HG PRO 40 -5.895 2.569 4.764 69 2HG PRO 40 3HG PRO 40 -5.251 1.242 3.760 70 1HD PRO 40 2HD PRO 40 -5.197 1.042 6.430 71 2HD PRO 40 3HD PRO 40 -3.744 0.572 5.508 72 H SER 41 H SER 41 -5.625 4.100 6.382 73 HA SER 41 HA SER 41 -5.763 6.814 5.916 74 1HB SER 41 2HB SER 41 -7.586 5.359 6.706 75 2HB SER 41 3HB SER 41 -6.885 5.404 8.354 76 HG SER 41 HG SER 41 -7.131 7.775 8.093 77 H GLU 42 H GLU 42 -3.798 5.160 8.372 78 HA GLU 42 HA GLU 42 -3.383 7.481 10.047 79 1HB GLU 42 2HB GLU 42 -2.941 4.952 10.583 80 2HB GLU 42 3HB GLU 42 -1.433 5.175 9.702 81 1HG GLU 42 2HG GLU 42 -0.627 5.796 11.710 82 2HG GLU 42 3HG GLU 42 -1.368 7.374 11.381 83 H ILE 43 H ILE 43 -1.544 5.804 7.467 84 HA ILE 43 HA ILE 43 0.506 7.832 7.401 85 HB ILE 43 HB ILE 43 1.467 6.454 5.537 86 1HG1 ILE 43 2HG1 ILE 43 -0.520 4.353 6.451 87 2HG1 ILE 43 3HG1 ILE 43 -0.788 5.349 5.010 88 1HG2 ILE 43 1HG2 ILE 43 2.212 6.352 7.876 89 2HG2 ILE 43 2HG2 ILE 43 0.961 5.145 8.240 90 3HG2 ILE 43 3HG2 ILE 43 2.287 4.765 7.122 91 1HD1 ILE 43 1HD1 ILE 43 1.344 4.537 4.047 92 2HD1 ILE 43 2HD1 ILE 43 1.564 3.464 5.451 93 3HD1 ILE 43 3HD1 ILE 43 0.190 3.225 4.364 94 H VAL 44 H VAL 44 -2.162 8.765 6.740 95 HA VAL 44 HA VAL 44 -1.464 10.303 4.283 96 HB VAL 44 HB VAL 44 -4.108 9.682 5.621 97 1HG1 VAL 44 1HG1 VAL 44 -4.278 12.048 5.032 98 2HG1 VAL 44 2HG1 VAL 44 -3.525 11.743 3.447 99 3HG1 VAL 44 3HG1 VAL 44 -5.141 11.119 3.817 100 1HG2 VAL 44 1HG2 VAL 44 -4.685 8.851 3.392 101 2HG2 VAL 44 2HG2 VAL 44 -3.056 9.253 2.819 102 3HG2 VAL 44 3HG2 VAL 44 -3.300 7.996 4.069 103 H ASN 45 H ASN 45 -1.775 10.363 7.806 104 HA ASN 45 HA ASN 45 -2.398 13.300 7.762 105 1HB ASN 45 2HB ASN 45 -3.340 11.025 9.521 106 2HB ASN 45 3HB ASN 45 -3.620 12.735 9.876 107 1HD2 ASN 45 1HD2 ASN 45 -4.825 10.004 7.948 108 2HD2 ASN 45 2HD2 ASN 45 -6.055 10.969 7.148 109 H GLY 46 H GLY 46 0.142 13.350 7.742 110 1HA GLY 46 1HA GLY 46 1.756 14.438 9.020 111 2HA GLY 46 2HA GLY 46 0.801 14.196 10.496 112 H LYS 47 H LYS 47 2.063 12.052 7.951 113 HA LYS 47 HA LYS 47 3.687 10.476 9.856 114 1HB LYS 47 2HB LYS 47 1.339 9.479 8.273 115 2HB LYS 47 3HB LYS 47 2.508 8.381 9.027 116 1HG LYS 47 2HG LYS 47 0.734 10.354 10.544 117 2HG LYS 47 3HG LYS 47 0.251 8.739 10.155 118 1HD LYS 47 2HD LYS 47 2.721 9.351 11.818 119 2HD LYS 47 3HD LYS 47 1.094 9.052 12.447 120 1HE LYS 47 2HE LYS 47 1.281 6.852 10.881 121 2HE LYS 47 3HE LYS 47 3.004 7.097 11.158 122 1HZ LYS 47 1HZ LYS 47 2.072 5.674 12.881 123 2HZ LYS 47 2HZ LYS 47 2.466 7.096 13.564 124 3HZ LYS 47 3HZ LYS 47 0.893 6.744 13.215 125 H THR 48 H THR 48 3.141 8.605 7.136 126 HA THR 48 HA THR 48 5.676 9.183 5.966 127 HB THR 48 HB THR 48 3.270 7.679 4.849 128 HG1 THR 48 1HG THR 48 5.483 6.801 6.395 129 1HG2 THR 48 1HG2 THR 48 5.009 6.376 3.616 130 2HG2 THR 48 2HG2 THR 48 4.890 8.056 3.084 131 3HG2 THR 48 3HG2 THR 48 6.229 7.569 4.137 132 H ASP 49 H ASP 49 2.381 10.094 5.134 133 HA ASP 49 HA ASP 49 2.423 11.251 2.699 134 1HB ASP 49 2HB ASP 49 0.877 13.009 3.942 135 2HB ASP 49 3HB ASP 49 0.451 11.298 3.948 136 H THR 50 H THR 50 2.979 13.294 5.572 137 HA THR 50 HA THR 50 4.516 15.212 3.951 138 HB THR 50 HB THR 50 3.546 15.238 6.829 139 HG1 THR 50 1HG THR 50 1.896 15.102 5.345 140 1HG2 THR 50 1HG2 THR 50 5.356 16.913 6.495 141 2HG2 THR 50 2HG2 THR 50 4.555 17.492 5.020 142 3HG2 THR 50 3HG2 THR 50 3.783 17.718 6.605 143 H GLY 51 H GLY 51 5.194 12.476 5.991 144 1HA GLY 51 1HA GLY 51 7.175 11.492 6.471 145 2HA GLY 51 2HA GLY 51 8.019 12.747 5.557 146 H VAL 52 H VAL 52 5.800 13.324 8.296 147 HA VAL 52 HA VAL 52 7.832 15.064 9.474 148 HB VAL 52 HB VAL 52 6.193 15.598 11.186 149 1HG1 VAL 52 1HG1 VAL 52 4.513 16.612 9.721 150 2HG1 VAL 52 2HG1 VAL 52 6.124 16.733 8.985 151 3HG1 VAL 52 3HG1 VAL 52 4.975 15.507 8.416 152 1HG2 VAL 52 1HG2 VAL 52 3.875 14.663 11.014 153 2HG2 VAL 52 2HG2 VAL 52 4.494 13.439 9.887 154 3HG2 VAL 52 3HG2 VAL 52 5.058 13.478 11.572 155 H LYS 53 H LYS 53 6.567 11.874 10.206 156 HA LYS 53 HA LYS 53 8.569 11.569 12.398 157 1HB LYS 53 2HB LYS 53 5.703 10.726 12.174 158 2HB LYS 53 3HB LYS 53 6.807 9.655 13.037 159 1HG LYS 53 2HG LYS 53 6.492 12.639 13.597 160 2HG LYS 53 3HG LYS 53 5.528 11.404 14.396 161 1HD LYS 53 2HD LYS 53 8.568 11.716 14.597 162 2HD LYS 53 3HD LYS 53 7.363 12.117 15.819 163 1HE LYS 53 2HE LYS 53 6.654 9.669 15.814 164 2HE LYS 53 3HE LYS 53 8.051 9.318 14.783 165 1HZ LYS 53 1HZ LYS 53 8.541 8.916 17.064 166 2HZ LYS 53 2HZ LYS 53 9.492 10.122 16.484 167 3HZ LYS 53 3HZ LYS 53 8.224 10.474 17.476 168 HA PRO 54 HA PRO 54 9.215 7.667 10.032 169 1HB PRO 54 2HB PRO 54 7.494 6.505 8.299 170 2HB PRO 54 3HB PRO 54 7.270 6.395 10.071 171 1HG PRO 54 2HG PRO 54 5.944 8.324 8.157 172 2HG PRO 54 3HG PRO 54 5.156 7.329 9.407 173 1HD PRO 54 2HD PRO 54 5.880 9.971 9.792 174 2HD PRO 54 3HD PRO 54 5.884 8.748 11.106 175 H GLU 55 H GLU 55 10.874 8.600 8.767 176 HA GLU 55 HA GLU 55 10.375 10.138 6.379 177 1HB GLU 55 2HB GLU 55 12.844 8.604 7.336 178 2HB GLU 55 3HB GLU 55 12.789 9.710 5.960 179 1HG GLU 55 2HG GLU 55 12.096 11.563 7.483 180 2HG GLU 55 3HG GLU 55 12.267 10.473 8.870 181 H ALA 56 H ALA 56 10.767 9.374 4.220 182 HA ALA 56 HA ALA 56 9.820 6.705 3.611 183 1HB ALA 56 1HB ALA 56 10.334 7.342 1.288 184 2HB ALA 56 2HB ALA 56 9.469 8.650 2.103 185 3HB ALA 56 3HB ALA 56 11.224 8.772 1.861 186 H GLY 57 H GLY 57 11.281 5.136 2.286 187 1HA GLY 57 1HA GLY 57 13.270 3.963 2.071 188 2HA GLY 57 2HA GLY 57 14.151 5.263 2.871 189 H GLN 58 H GLN 58 11.241 3.750 4.218 190 HA GLN 58 HA GLN 58 12.835 2.127 6.139 191 1HB GLN 58 2HB GLN 58 10.403 3.894 6.688 192 2HB GLN 58 3HB GLN 58 11.010 2.654 7.800 193 1HG GLN 58 2HG GLN 58 13.252 3.783 7.784 194 2HG GLN 58 3HG GLN 58 12.543 5.115 6.857 195 1HE2 GLN 58 1HE2 GLN 58 10.697 6.279 7.854 196 2HE2 GLN 58 2HE2 GLN 58 10.613 6.321 9.624 197 H ARG 59 H ARG 59 11.762 0.234 6.819 198 HA ARG 59 HA ARG 59 9.991 -0.836 4.703 199 1HB ARG 59 2HB ARG 59 12.320 -1.806 5.680 200 2HB ARG 59 3HB ARG 59 11.221 -2.663 6.762 201 1HG ARG 59 2HG ARG 59 10.887 -2.653 3.743 202 2HG ARG 59 3HG ARG 59 12.032 -3.726 4.510 203 1HD ARG 59 2HD ARG 59 9.190 -3.800 5.542 204 2HD ARG 59 3HD ARG 59 9.550 -4.439 3.933 205 HE ARG 59 HE ARG 59 11.348 -5.385 6.039 206 1HH1 ARG 59 2HH2 ARG 59 8.295 -6.067 4.417 207 2HH1 ARG 59 1HH2 ARG 59 8.599 -7.745 4.104 208 1HH2 ARG 59 1HH1 ARG 59 11.663 -7.693 6.005 209 2HH2 ARG 59 2HH1 ARG 59 10.436 -8.713 5.319 210 H ILE 60 H ILE 60 7.843 -1.206 5.155 211 HA ILE 60 HA ILE 60 6.929 -1.766 7.860 212 HB ILE 60 HB ILE 60 5.159 -0.082 7.880 213 1HG1 ILE 60 2HG1 ILE 60 6.539 1.610 5.851 214 2HG1 ILE 60 3HG1 ILE 60 5.436 0.354 5.253 215 1HG2 ILE 60 1HG2 ILE 60 7.054 0.452 9.201 216 2HG2 ILE 60 2HG2 ILE 60 7.920 1.178 7.825 217 3HG2 ILE 60 3HG2 ILE 60 6.459 1.933 8.477 218 1HD1 ILE 60 1HD1 ILE 60 3.612 1.246 6.670 219 2HD1 ILE 60 2HD1 ILE 60 4.675 2.558 7.220 220 3HD1 ILE 60 3HD1 ILE 60 4.206 2.449 5.520 221 H ARG 61 H ARG 61 4.346 -2.067 7.681 222 HA ARG 61 HA ARG 61 3.761 -3.174 4.997 223 1HB ARG 61 2HB ARG 61 2.732 -4.426 7.546 224 2HB ARG 61 3HB ARG 61 2.834 -5.096 5.920 225 1HG ARG 61 2HG ARG 61 5.357 -4.973 6.139 226 2HG ARG 61 3HG ARG 61 5.184 -4.507 7.822 227 1HD ARG 61 2HD ARG 61 3.698 -6.967 7.066 228 2HD ARG 61 3HD ARG 61 5.477 -7.054 6.937 229 HE ARG 61 HE ARG 61 4.934 -5.921 9.422 230 1HH1 ARG 61 2HH2 ARG 61 4.348 -8.997 7.765 231 2HH1 ARG 61 1HH2 ARG 61 4.680 -9.977 9.161 232 1HH2 ARG 61 1HH1 ARG 61 5.681 -7.212 11.144 233 2HH2 ARG 61 2HH1 ARG 61 5.264 -8.905 11.224 234 H VAL 62 H VAL 62 1.857 -2.580 4.160 235 HA VAL 62 HA VAL 62 0.161 -0.688 5.738 236 HB VAL 62 HB VAL 62 0.942 0.297 3.724 237 1HG1 VAL 62 1HG1 VAL 62 -0.270 -1.983 2.096 238 2HG1 VAL 62 2HG1 VAL 62 0.524 -0.529 1.492 239 3HG1 VAL 62 3HG1 VAL 62 1.477 -1.724 2.349 240 1HG2 VAL 62 1HG2 VAL 62 -1.943 -0.580 3.267 241 2HG2 VAL 62 2HG2 VAL 62 -1.431 0.690 4.406 242 3HG2 VAL 62 3HG2 VAL 62 -1.154 0.887 2.664 243 H GLY 63 H GLY 63 -1.730 -1.535 6.542 244 1HA GLY 63 1HA GLY 63 -2.930 -3.908 5.161 245 2HA GLY 63 2HA GLY 63 -2.684 -3.880 6.912 246 H GLY 64 H GLY 64 -5.004 -3.523 4.616 247 1HA GLY 64 1HA GLY 64 -6.876 -2.108 6.222 248 2HA GLY 64 2HA GLY 64 -6.195 -1.001 5.005 249 H MET 65 H MET 65 -8.443 -1.017 4.107 250 HA MET 65 HA MET 65 -9.129 -3.529 2.651 251 1HB MET 65 2HB MET 65 -11.370 -2.627 2.391 252 2HB MET 65 3HB MET 65 -10.930 -2.981 4.053 253 1HG MET 65 2HG MET 65 -10.319 -0.196 3.456 254 2HG MET 65 3HG MET 65 -11.961 -0.564 2.978 255 1HE MET 65 1HE MET 65 -10.457 -1.027 7.339 256 2HE MET 65 2HE MET 65 -10.080 -2.252 6.110 257 3HE MET 65 3HE MET 65 -9.389 -0.618 5.987 258 H VAL 66 H VAL 66 -9.165 -3.582 0.465 259 HA VAL 66 HA VAL 66 -8.102 -1.160 -0.859 260 HB VAL 66 HB VAL 66 -8.372 -3.951 -1.966 261 1HG1 VAL 66 1HG1 VAL 66 -6.383 -2.533 -3.332 262 2HG1 VAL 66 2HG1 VAL 66 -8.074 -2.687 -3.874 263 3HG1 VAL 66 3HG1 VAL 66 -7.529 -1.263 -2.994 264 1HG2 VAL 66 1HG2 VAL 66 -6.172 -4.352 -1.385 265 2HG2 VAL 66 2HG2 VAL 66 -5.812 -2.654 -0.988 266 3HG2 VAL 66 3HG2 VAL 66 -6.793 -3.669 0.090 267 H THR 67 H THR 67 -9.592 0.219 -1.466 268 HA THR 67 HA THR 67 -12.171 0.139 -2.157 269 HB THR 67 HB THR 67 -9.895 1.566 -3.565 270 HG1 THR 67 1HG THR 67 -10.926 1.904 -0.988 271 1HG2 THR 67 1HG2 THR 67 -11.435 3.511 -3.580 272 2HG2 THR 67 2HG2 THR 67 -12.107 2.155 -4.492 273 3HG2 THR 67 3HG2 THR 67 -12.716 2.510 -2.854 274 H VAL 68 H VAL 68 -13.331 -0.641 -3.777 275 HA VAL 68 HA VAL 68 -12.444 -2.531 -5.630 276 HB VAL 68 HB VAL 68 -14.708 -2.384 -4.874 277 1HG1 VAL 68 1HG1 VAL 68 -15.263 0.000 -6.675 278 2HG1 VAL 68 2HG1 VAL 68 -16.347 -0.816 -5.551 279 3HG1 VAL 68 3HG1 VAL 68 -15.002 0.139 -4.919 280 1HG2 VAL 68 1HG2 VAL 68 -14.574 -2.093 -7.900 281 2HG2 VAL 68 2HG2 VAL 68 -14.243 -3.573 -6.971 282 3HG2 VAL 68 3HG2 VAL 68 -15.869 -2.865 -6.964 283 H GLY 69 H GLY 69 -13.392 0.856 -6.439 284 1HA GLY 69 1HA GLY 69 -12.198 0.635 -9.115 285 2HA GLY 69 2HA GLY 69 -13.058 2.014 -8.414 286 H SER 70 H SER 70 -10.044 0.142 -7.870 287 HA SER 70 HA SER 70 -8.498 2.689 -7.815 288 1HB SER 70 2HB SER 70 -8.788 0.868 -5.414 289 2HB SER 70 3HB SER 70 -7.508 2.055 -5.596 290 HG SER 70 HG SER 70 -9.822 3.237 -6.233 291 H MET 71 H MET 71 -8.335 -0.906 -7.814 292 HA MET 71 HA MET 71 -5.487 -0.961 -8.275 293 1HB MET 71 2HB MET 71 -6.555 -3.013 -7.665 294 2HB MET 71 3HB MET 71 -7.766 -2.830 -8.947 295 1HG MET 71 2HG MET 71 -6.031 -4.546 -9.482 296 2HG MET 71 3HG MET 71 -6.258 -3.263 -10.667 297 1HE MET 71 1HE MET 71 -3.660 -4.977 -8.334 298 2HE MET 71 2HE MET 71 -2.567 -3.619 -7.985 299 3HE MET 71 3HE MET 71 -4.247 -3.608 -7.376 300 H VAL 72 H VAL 72 -4.459 -0.077 -10.002 301 HA VAL 72 HA VAL 72 -5.782 -0.291 -12.657 302 HB VAL 72 HB VAL 72 -4.751 1.747 -13.432 303 1HG1 VAL 72 1HG1 VAL 72 -6.273 3.326 -12.371 304 2HG1 VAL 72 2HG1 VAL 72 -7.082 1.761 -12.563 305 3HG1 VAL 72 3HG1 VAL 72 -6.476 2.259 -10.970 306 1HG2 VAL 72 1HG2 VAL 72 -3.922 2.217 -10.540 307 2HG2 VAL 72 2HG2 VAL 72 -2.853 2.013 -11.960 308 3HG2 VAL 72 3HG2 VAL 72 -3.885 3.441 -11.827 309 H ARG 73 H ARG 73 -4.524 -1.212 -14.178 310 HA ARG 73 HA ARG 73 -1.852 -2.156 -13.323 311 1HB ARG 73 2HB ARG 73 -2.465 -4.303 -14.505 312 2HB ARG 73 3HB ARG 73 -3.265 -4.046 -12.957 313 1HG ARG 73 2HG ARG 73 -4.753 -3.194 -15.449 314 2HG ARG 73 3HG ARG 73 -4.522 -4.919 -15.161 315 1HD ARG 73 2HD ARG 73 -5.516 -4.769 -12.952 316 2HD ARG 73 3HD ARG 73 -5.777 -3.019 -13.138 317 HE ARG 73 HE ARG 73 -7.028 -4.158 -15.335 318 1HH1 ARG 73 2HH2 ARG 73 -7.295 -4.493 -11.849 319 2HH1 ARG 73 1HH2 ARG 73 -8.973 -4.791 -11.740 320 1HH2 ARG 73 1HH1 ARG 73 -9.318 -4.579 -15.372 321 2HH2 ARG 73 2HH1 ARG 73 -10.168 -4.855 -13.880 322 H ASP 74 H ASP 74 -0.259 -2.098 -14.952 323 HA ASP 74 HA ASP 74 -1.002 -0.580 -17.314 324 1HB ASP 74 2HB ASP 74 1.588 -1.795 -16.297 325 2HB ASP 74 3HB ASP 74 1.438 -1.023 -17.879 326 HA PRO 75 HA PRO 75 -1.474 -4.214 -20.009 327 1HB PRO 75 2HB PRO 75 -0.799 -3.129 -22.431 328 2HB PRO 75 3HB PRO 75 -2.353 -2.795 -21.613 329 1HG PRO 75 2HG PRO 75 0.155 -1.096 -21.566 330 2HG PRO 75 3HG PRO 75 -1.518 -0.566 -21.903 331 1HD PRO 75 2HD PRO 75 -0.406 -0.296 -19.450 332 2HD PRO 75 3HD PRO 75 -2.127 -0.757 -19.607 333 H ASN 76 H ASN 76 1.404 -2.202 -19.739 334 HA ASN 76 HA ASN 76 3.483 -3.660 -20.813 335 1HB ASN 76 2HB ASN 76 3.347 -2.493 -17.988 336 2HB ASN 76 3HB ASN 76 4.820 -2.953 -18.846 337 1HD2 ASN 76 1HD2 ASN 76 3.366 -0.182 -17.898 338 2HD2 ASN 76 2HD2 ASN 76 3.745 0.792 -19.274 339 H SER 77 H SER 77 1.578 -4.410 -17.899 340 HA SER 77 HA SER 77 1.120 -6.297 -16.869 341 1HB SER 77 2HB SER 77 2.978 -7.845 -18.719 342 2HB SER 77 3HB SER 77 1.740 -8.480 -17.650 343 HG SER 77 HG SER 77 1.189 -6.648 -19.772 344 H LEU 78 H LEU 78 4.077 -4.822 -16.686 345 HA LEU 78 HA LEU 78 4.716 -6.402 -14.232 346 1HB LEU 78 2HB LEU 78 7.048 -5.809 -14.465 347 2HB LEU 78 3HB LEU 78 6.468 -6.924 -15.682 348 HG LEU 78 HG LEU 78 8.151 -5.118 -16.342 349 1HD1 LEU 78 1HD1 LEU 78 6.967 -6.563 -17.942 350 2HD1 LEU 78 2HD1 LEU 78 5.670 -5.361 -18.035 351 3HD1 LEU 78 3HD1 LEU 78 7.293 -4.945 -18.594 352 1HD2 LEU 78 1HD2 LEU 78 7.298 -2.961 -17.100 353 2HD2 LEU 78 2HD2 LEU 78 5.693 -3.323 -16.450 354 3HD2 LEU 78 3HD2 LEU 78 7.089 -3.145 -15.354 355 H HIS 79 H HID 79 3.015 -3.889 -14.806 356 HA HIS 79 HA HID 79 4.046 -2.490 -12.428 357 1HB HIS 79 2HB HID 79 3.407 -1.220 -15.115 358 2HB HIS 79 3HB HID 79 3.286 -0.344 -13.595 359 HD1 HIS 79 1HD HID 79 5.966 -1.251 -12.178 360 HD2 HIS 79 2HD HID 79 5.527 -0.198 -16.230 361 HE1 HIS 79 1HE HID 79 8.255 -0.480 -12.978 362 H VAL 80 H VAL 80 2.472 -2.432 -10.992 363 HA VAL 80 HA VAL 80 -0.277 -1.928 -11.874 364 HB VAL 80 HB VAL 80 -1.131 -3.775 -10.424 365 1HG1 VAL 80 1HG1 VAL 80 -0.819 -4.095 -12.928 366 2HG1 VAL 80 2HG1 VAL 80 0.656 -4.992 -12.537 367 3HG1 VAL 80 3HG1 VAL 80 -0.913 -5.567 -11.945 368 1HG2 VAL 80 1HG2 VAL 80 0.601 -4.317 -8.967 369 2HG2 VAL 80 2HG2 VAL 80 0.490 -5.727 -10.031 370 3HG2 VAL 80 3HG2 VAL 80 1.806 -4.573 -10.250 371 H GLN 81 H GLN 81 -1.438 -0.756 -10.289 372 HA GLN 81 HA GLN 81 -0.130 -0.413 -7.656 373 1HB GLN 81 2HB GLN 81 -0.219 2.079 -7.877 374 2HB GLN 81 3HB GLN 81 1.047 1.309 -8.846 375 1HG GLN 81 2HG GLN 81 -0.017 1.703 -10.869 376 2HG GLN 81 3HG GLN 81 -1.616 1.777 -10.122 377 1HE2 GLN 81 1HE2 GLN 81 -2.506 3.758 -9.706 378 2HE2 GLN 81 2HE2 GLN 81 -1.596 5.254 -9.755 379 H PHE 82 H PHE 82 -1.470 0.662 -6.103 380 HA PHE 82 HA PHE 82 -4.355 0.763 -6.795 381 1HB PHE 82 2HB PHE 82 -4.944 -1.005 -5.237 382 2HB PHE 82 3HB PHE 82 -3.928 -1.593 -6.530 383 HD1 PHE 82 1HD PHE 82 -4.082 -0.930 -2.898 384 HD2 PHE 82 2HD PHE 82 -1.618 -2.400 -6.115 385 HE1 PHE 82 1HE PHE 82 -2.691 -2.184 -1.268 386 HE2 PHE 82 2HE PHE 82 -0.257 -3.678 -4.493 387 HZ PHE 82 HZ PHE 82 -0.865 -3.662 -2.069 388 H ALA 83 H ALA 83 -5.520 2.019 -5.510 389 HA ALA 83 HA ALA 83 -4.234 3.292 -3.192 390 1HB ALA 83 1HB ALA 83 -5.577 4.771 -4.611 391 2HB ALA 83 2HB ALA 83 -7.013 3.770 -4.329 392 3HB ALA 83 3HB ALA 83 -6.257 4.632 -2.989 393 H VAL 84 H VAL 84 -4.771 2.827 -1.125 394 HA VAL 84 HA VAL 84 -6.873 0.801 -0.533 395 HB VAL 84 HB VAL 84 -4.673 -0.338 -0.648 396 1HG1 VAL 84 1HG1 VAL 84 -3.196 1.551 -0.084 397 2HG1 VAL 84 2HG1 VAL 84 -3.803 1.528 1.579 398 3HG1 VAL 84 3HG1 VAL 84 -2.891 0.148 0.946 399 1HG2 VAL 84 1HG2 VAL 84 -4.654 -1.342 1.637 400 2HG2 VAL 84 2HG2 VAL 84 -5.846 -0.135 2.149 401 3HG2 VAL 84 3HG2 VAL 84 -6.243 -1.290 0.874 402 H HIS 85 H HID 85 -7.844 1.181 1.596 403 HA HIS 85 HA HID 85 -7.061 3.702 2.919 404 1HB HIS 85 2HB HID 85 -9.171 4.798 2.658 405 2HB HIS 85 3HB HID 85 -8.443 4.440 1.092 406 HD1 HIS 85 1HD HID 85 -11.220 5.125 0.665 407 HD2 HIS 85 2HD HID 85 -9.935 1.280 1.677 408 HE1 HIS 85 1HE HID 85 -13.028 3.521 -0.156 409 H ASP 86 H ASP 86 -8.757 4.157 4.731 410 HA ASP 86 HA ASP 86 -9.645 1.628 5.964 411 1HB ASP 86 2HB ASP 86 -7.178 2.071 6.530 412 2HB ASP 86 3HB ASP 86 -7.733 3.319 7.630 413 H SER 87 H SER 87 -9.176 4.518 7.929 414 HA SER 87 HA SER 87 -12.057 4.536 8.422 415 1HB SER 87 2HB SER 87 -10.444 4.685 10.257 416 2HB SER 87 3HB SER 87 -9.768 6.179 9.567 417 HG SER 87 HG SER 87 -11.802 7.135 9.808 418 H LEU 88 H LEU 88 -12.225 5.120 6.082 419 HA LEU 88 HA LEU 88 -11.607 6.481 4.245 420 1HB LEU 88 2HB LEU 88 -14.402 6.674 5.353 421 2HB LEU 88 3HB LEU 88 -14.090 7.438 3.822 422 HG LEU 88 HG LEU 88 -15.103 5.126 3.864 423 1HD1 LEU 88 1HD1 LEU 88 -12.861 5.868 1.971 424 2HD1 LEU 88 2HD1 LEU 88 -14.131 4.645 1.669 425 3HD1 LEU 88 3HD1 LEU 88 -14.569 6.342 1.851 426 1HD2 LEU 88 1HD2 LEU 88 -12.187 4.275 4.051 427 2HD2 LEU 88 2HD2 LEU 88 -13.539 3.878 5.165 428 3HD2 LEU 88 3HD2 LEU 88 -13.532 3.256 3.516 429 H GLY 89 H GLY 89 -10.681 8.293 6.460 430 1HA GLY 89 1HA GLY 89 -10.951 10.849 4.918 431 2HA GLY 89 2HA GLY 89 -10.595 10.736 6.652 432 H GLY 90 H GLY 90 -9.297 8.249 4.527 433 1HA GLY 90 1HA GLY 90 -6.938 9.609 3.717 434 2HA GLY 90 2HA GLY 90 -6.653 8.637 5.174 435 H GLU 91 H GLU 91 -6.592 8.592 1.850 436 HA GLU 91 HA GLU 91 -6.532 5.637 1.732 437 1HB GLU 91 2HB GLU 91 -6.773 5.979 -0.758 438 2HB GLU 91 3HB GLU 91 -8.252 6.352 0.141 439 1HG GLU 91 2HG GLU 91 -7.998 8.671 -0.068 440 2HG GLU 91 3HG GLU 91 -6.312 8.536 -0.606 441 H ILE 92 H ILE 92 -4.635 4.841 0.657 442 HA ILE 92 HA ILE 92 -2.546 6.823 0.030 443 HB ILE 92 HB ILE 92 -2.541 4.992 2.316 444 1HG1 ILE 92 2HG1 ILE 92 -1.956 7.331 2.427 445 2HG1 ILE 92 3HG1 ILE 92 -0.672 6.302 3.050 446 1HG2 ILE 92 1HG2 ILE 92 -0.292 4.073 2.108 447 2HG2 ILE 92 2HG2 ILE 92 -1.411 3.368 0.937 448 3HG2 ILE 92 3HG2 ILE 92 -0.238 4.599 0.413 449 1HD1 ILE 92 1HD1 ILE 92 0.657 6.686 1.018 450 2HD1 ILE 92 2HD1 ILE 92 -0.627 7.712 0.347 451 3HD1 ILE 92 3HD1 ILE 92 0.201 8.197 1.826 452 H LEU 93 H LEU 93 -0.882 5.920 -1.395 453 HA LEU 93 HA LEU 93 -2.211 3.990 -3.237 454 1HB LEU 93 2HB LEU 93 -0.683 6.562 -3.680 455 2HB LEU 93 3HB LEU 93 -0.630 5.318 -4.930 456 HG LEU 93 HG LEU 93 -3.319 6.151 -3.830 457 1HD1 LEU 93 1HD1 LEU 93 -3.540 7.895 -5.486 458 2HD1 LEU 93 2HD1 LEU 93 -2.147 8.270 -4.461 459 3HD1 LEU 93 3HD1 LEU 93 -1.905 7.601 -6.100 460 1HD2 LEU 93 1HD2 LEU 93 -4.018 5.529 -6.138 461 2HD2 LEU 93 2HD2 LEU 93 -2.333 5.225 -6.584 462 3HD2 LEU 93 3HD2 LEU 93 -3.125 4.197 -5.383 463 H VAL 94 H VAL 94 -1.232 2.127 -3.301 464 HA VAL 94 HA VAL 94 1.634 1.847 -2.559 465 HB VAL 94 HB VAL 94 -0.570 -0.217 -2.951 466 1HG1 VAL 94 1HG1 VAL 94 2.236 -0.408 -1.767 467 2HG1 VAL 94 2HG1 VAL 94 1.005 -1.689 -1.691 468 3HG1 VAL 94 3HG1 VAL 94 1.662 -1.190 -3.257 469 1HG2 VAL 94 1HG2 VAL 94 -1.085 1.239 -1.014 470 2HG2 VAL 94 2HG2 VAL 94 -0.611 -0.376 -0.493 471 3HG2 VAL 94 3HG2 VAL 94 0.549 0.974 -0.376 472 H THR 95 H THR 95 3.111 1.074 -4.091 473 HA THR 95 HA THR 95 2.093 0.668 -6.866 474 HB THR 95 HB THR 95 4.291 1.544 -7.608 475 HG1 THR 95 1HG THR 95 4.659 2.012 -4.827 476 1HG2 THR 95 1HG2 THR 95 2.356 3.090 -7.461 477 2HG2 THR 95 2HG2 THR 95 2.808 3.503 -5.792 478 3HG2 THR 95 3HG2 THR 95 3.894 3.912 -7.133 479 H TYR 96 H TYR 96 3.019 -1.052 -8.042 480 HA TYR 96 HA TYR 96 4.811 -2.931 -6.608 481 1HB TYR 96 2HB TYR 96 2.244 -3.196 -6.179 482 2HB TYR 96 3HB TYR 96 2.161 -3.642 -7.850 483 HD1 TYR 96 HD1 TYR 96 3.778 -5.632 -8.599 484 HD2 TYR 96 HD2 TYR 96 2.463 -4.852 -4.580 485 HE1 TYR 96 HE1 TYR 96 4.257 -7.990 -7.986 486 HE2 TYR 96 HE2 TYR 96 2.832 -7.199 -4.007 487 HH TYR 96 HH TYR 96 4.066 -9.101 -4.613 488 H ASP 97 H ASP 97 6.442 -3.362 -8.116 489 HA ASP 97 HA ASP 97 5.863 -2.920 -10.963 490 1HB ASP 97 2HB ASP 97 8.312 -2.607 -11.065 491 2HB ASP 97 3HB ASP 97 7.517 -1.492 -9.947 492 H ASP 98 H ASP 98 4.777 -5.252 -10.345 493 HA ASP 98 HA ASP 98 5.951 -6.969 -12.205 494 1HB ASP 98 2HB ASP 98 7.412 -7.498 -10.092 495 2HB ASP 98 3HB ASP 98 5.963 -8.265 -9.447 496 H LEU 99 H LEU 99 4.564 -9.188 -11.982 497 HA LEU 99 HA LEU 99 1.746 -8.430 -11.917 498 1HB LEU 99 2HB LEU 99 3.115 -11.157 -12.084 499 2HB LEU 99 3HB LEU 99 1.373 -10.908 -12.048 500 HG LEU 99 HG LEU 99 1.918 -9.209 -14.057 501 1HD1 LEU 99 1HD1 LEU 99 4.016 -11.421 -14.313 502 2HD1 LEU 99 2HD1 LEU 99 3.586 -10.252 -15.576 503 3HD1 LEU 99 3HD1 LEU 99 4.360 -9.694 -14.087 504 1HD2 LEU 99 1HD2 LEU 99 1.250 -11.005 -15.596 505 2HD2 LEU 99 2HD2 LEU 99 1.559 -12.213 -14.328 506 3HD2 LEU 99 3HD2 LEU 99 0.272 -11.002 -14.121 507 H LEU 100 H LEU 100 0.149 -9.088 -10.477 508 HA LEU 100 HA LEU 100 1.049 -9.540 -7.682 509 1HB LEU 100 2HB LEU 100 -1.356 -8.256 -9.038 510 2HB LEU 100 3HB LEU 100 -1.514 -8.854 -7.394 511 HG LEU 100 HG LEU 100 0.750 -6.965 -8.136 512 1HD1 LEU 100 1HD1 LEU 100 -1.958 -6.107 -7.020 513 2HD1 LEU 100 2HD1 LEU 100 -0.590 -5.086 -7.355 514 3HD1 LEU 100 3HD1 LEU 100 -1.456 -5.862 -8.707 515 1HD2 LEU 100 1HD2 LEU 100 0.451 -6.407 -5.674 516 2HD2 LEU 100 2HD2 LEU 100 -0.704 -7.726 -5.583 517 3HD2 LEU 100 3HD2 LEU 100 0.971 -8.085 -5.992 518 HA PRO 101 HA PRO 101 -0.849 -13.646 -7.677 519 1HB PRO 101 2HB PRO 101 -1.916 -13.802 -5.159 520 2HB PRO 101 3HB PRO 101 -0.149 -13.795 -5.439 521 1HG PRO 101 2HG PRO 101 -1.907 -11.393 -4.807 522 2HG PRO 101 3HG PRO 101 -0.467 -11.900 -3.903 523 1HD PRO 101 2HD PRO 101 -0.269 -10.050 -5.834 524 2HD PRO 101 3HD PRO 101 0.971 -11.333 -5.794 525 H ASP 102 H ASP 102 -2.911 -14.481 -8.196 526 HA ASP 102 HA ASP 102 -4.912 -14.333 -9.237 527 1HB ASP 102 2HB ASP 102 -5.493 -13.275 -6.443 528 2HB ASP 102 3HB ASP 102 -6.730 -13.815 -7.588 529 H LEU 103 H LEU 103 -3.295 -11.974 -9.833 530 HA LEU 103 HA LEU 103 -3.418 -9.931 -10.736 531 1HB LEU 103 2HB LEU 103 -4.719 -10.861 -12.414 532 2HB LEU 103 3HB LEU 103 -6.122 -11.088 -11.397 533 HG LEU 103 HG LEU 103 -6.662 -8.730 -11.434 534 1HD1 LEU 103 1HD1 LEU 103 -4.236 -7.816 -11.865 535 2HD1 LEU 103 2HD1 LEU 103 -4.328 -8.530 -13.470 536 3HD1 LEU 103 3HD1 LEU 103 -5.426 -7.212 -13.024 537 1HD2 LEU 103 1HD2 LEU 103 -7.294 -8.638 -13.823 538 2HD2 LEU 103 2HD2 LEU 103 -6.118 -9.917 -14.195 539 3HD2 LEU 103 3HD2 LEU 103 -7.517 -10.277 -13.184 540 H PHE 104 H PHE 104 -4.304 -10.429 -7.816 541 HA PHE 104 HA PHE 104 -4.977 -9.301 -6.027 542 1HB PHE 104 2HB PHE 104 -3.317 -7.716 -6.971 543 2HB PHE 104 3HB PHE 104 -4.650 -6.777 -7.642 544 HD1 PHE 104 1HD PHE 104 -2.550 -7.258 -4.699 545 HD2 PHE 104 2HD PHE 104 -6.497 -5.971 -5.934 546 HE1 PHE 104 1HE PHE 104 -2.527 -5.534 -2.990 547 HE2 PHE 104 2HE PHE 104 -6.616 -4.586 -3.948 548 HZ PHE 104 HZ PHE 104 -4.480 -4.050 -2.689 549 H ARG 105 H ARG 105 -7.028 -10.060 -5.896 550 HA ARG 105 HA ARG 105 -9.189 -9.130 -7.610 551 1HB ARG 105 2HB ARG 105 -9.232 -10.493 -4.901 552 2HB ARG 105 3HB ARG 105 -10.565 -10.421 -6.071 553 1HG ARG 105 2HG ARG 105 -7.952 -11.932 -6.575 554 2HG ARG 105 3HG ARG 105 -9.326 -12.612 -5.718 555 1HD ARG 105 2HD ARG 105 -9.637 -13.404 -7.847 556 2HD ARG 105 3HD ARG 105 -10.770 -12.035 -7.733 557 HE ARG 105 HE ARG 105 -8.062 -11.485 -8.824 558 1HH1 ARG 105 2HH2 ARG 105 -11.206 -12.789 -9.681 559 2HH1 ARG 105 1HH2 ARG 105 -11.164 -12.280 -11.341 560 1HH2 ARG 105 1HH1 ARG 105 -8.045 -10.599 -10.927 561 2HH2 ARG 105 2HH1 ARG 105 -9.271 -11.025 -12.090 562 H GLU 106 H GLU 106 -10.232 -7.134 -7.287 563 HA GLU 106 HA GLU 106 -9.411 -5.483 -5.091 564 1HB GLU 106 2HB GLU 106 -11.615 -4.955 -7.137 565 2HB GLU 106 3HB GLU 106 -10.657 -3.792 -6.208 566 1HG GLU 106 2HG GLU 106 -9.662 -3.606 -8.200 567 2HG GLU 106 3HG GLU 106 -8.600 -4.835 -7.493 568 H GLY 107 H GLY 107 -11.085 -4.168 -3.752 569 1HA GLY 107 1HA GLY 107 -12.957 -3.982 -2.451 570 2HA GLY 107 2HA GLY 107 -13.759 -5.172 -3.479 571 H GLN 108 H GLN 108 -10.795 -5.481 -1.410 572 HA GLN 108 HA GLN 108 -12.192 -6.938 0.654 573 1HB GLN 108 2HB GLN 108 -10.765 -8.976 0.411 574 2HB GLN 108 3HB GLN 108 -11.910 -8.761 -0.915 575 1HG GLN 108 2HG GLN 108 -10.032 -7.759 -2.290 576 2HG GLN 108 3HG GLN 108 -8.923 -8.108 -0.956 577 1HE2 GLN 108 1HE2 GLN 108 -11.467 -9.762 -2.908 578 2HE2 GLN 108 2HE2 GLN 108 -10.579 -11.273 -3.049 579 H GLY 109 H GLY 109 -10.519 -7.594 2.321 580 1HA GLY 109 1HA GLY 109 -8.493 -5.467 2.632 581 2HA GLY 109 2HA GLY 109 -9.069 -6.558 3.885 582 H ILE 110 H ILE 110 -6.376 -5.740 2.483 583 HA ILE 110 HA ILE 110 -5.188 -8.438 2.537 584 HB ILE 110 HB ILE 110 -3.938 -8.184 0.515 585 1HG1 ILE 110 2HG1 ILE 110 -4.844 -6.179 -1.040 586 2HG1 ILE 110 3HG1 ILE 110 -4.886 -5.357 0.526 587 1HG2 ILE 110 1HG2 ILE 110 -6.343 -9.047 0.335 588 2HG2 ILE 110 2HG2 ILE 110 -6.783 -7.433 -0.247 589 3HG2 ILE 110 3HG2 ILE 110 -5.632 -8.423 -1.160 590 1HD1 ILE 110 1HD1 ILE 110 -2.516 -6.804 -0.768 591 2HD1 ILE 110 2HD1 ILE 110 -2.745 -5.041 -0.624 592 3HD1 ILE 110 3HD1 ILE 110 -2.465 -6.014 0.828 593 H VAL 111 H VAL 111 -2.826 -8.265 2.965 594 HA VAL 111 HA VAL 111 -2.061 -5.572 4.046 595 HB VAL 111 HB VAL 111 -0.920 -6.546 5.842 596 1HG1 VAL 111 1HG1 VAL 111 -3.379 -6.076 6.092 597 2HG1 VAL 111 2HG1 VAL 111 -3.702 -7.790 5.789 598 3HG1 VAL 111 3HG1 VAL 111 -2.763 -7.303 7.211 599 1HG2 VAL 111 1HG2 VAL 111 -1.893 -9.270 4.893 600 2HG2 VAL 111 2HG2 VAL 111 -0.202 -8.721 4.944 601 3HG2 VAL 111 3HG2 VAL 111 -1.100 -8.954 6.446 602 H ALA 112 H ALA 112 -0.272 -4.752 3.171 603 HA ALA 112 HA ALA 112 1.302 -6.497 1.333 604 1HB ALA 112 1HB ALA 112 -0.266 -4.783 0.291 605 2HB ALA 112 2HB ALA 112 0.830 -3.550 0.933 606 3HB ALA 112 3HB ALA 112 1.435 -4.750 -0.213 607 H GLN 113 H GLN 113 3.441 -6.639 1.764 608 HA GLN 113 HA GLN 113 4.616 -4.707 3.716 609 1HB GLN 113 2HB GLN 113 6.014 -7.218 3.070 610 2HB GLN 113 3HB GLN 113 5.918 -6.368 4.576 611 1HG GLN 113 2HG GLN 113 3.489 -7.137 4.779 612 2HG GLN 113 3HG GLN 113 3.746 -8.158 3.380 613 1HE2 GLN 113 1HE2 GLN 113 6.516 -9.055 4.024 614 2HE2 GLN 113 2HE2 GLN 113 6.248 -10.191 5.317 615 H GLY 114 H GLY 114 6.495 -3.572 3.258 616 1HA GLY 114 1HA GLY 114 8.519 -4.312 1.593 617 2HA GLY 114 2HA GLY 114 7.464 -3.423 0.505 618 H VAL 115 H VAL 115 8.462 -1.416 0.257 619 HA VAL 115 HA VAL 115 9.525 -0.110 2.701 620 HB VAL 115 HB VAL 115 11.243 -1.534 1.524 621 1HG1 VAL 115 1HG1 VAL 115 11.119 0.609 -0.638 622 2HG1 VAL 115 2HG1 VAL 115 12.255 -0.746 -0.527 623 3HG1 VAL 115 3HG1 VAL 115 10.536 -1.062 -0.819 624 1HG2 VAL 115 1HG2 VAL 115 11.827 1.441 1.728 625 2HG2 VAL 115 2HG2 VAL 115 11.924 0.238 3.030 626 3HG2 VAL 115 3HG2 VAL 115 13.027 0.141 1.655 627 H LEU 116 H LEU 116 9.602 2.057 2.706 628 HA LEU 116 HA LEU 116 7.869 3.462 0.725 629 1HB LEU 116 2HB LEU 116 9.208 4.206 3.345 630 2HB LEU 116 3HB LEU 116 8.382 5.391 2.319 631 HG LEU 116 HG LEU 116 6.274 4.465 2.636 632 1HD1 LEU 116 1HD1 LEU 116 7.564 1.961 3.809 633 2HD1 LEU 116 2HD1 LEU 116 5.849 2.359 3.876 634 3HD1 LEU 116 3HD1 LEU 116 6.599 2.075 2.310 635 1HD2 LEU 116 1HD2 LEU 116 7.311 5.595 4.636 636 2HD2 LEU 116 2HD2 LEU 116 6.013 4.446 5.049 637 3HD2 LEU 116 3HD2 LEU 116 7.719 3.989 5.271 638 H GLY 117 H GLY 117 8.715 5.355 -0.502 639 1HA GLY 117 1HA GLY 117 11.584 5.904 -0.306 640 2HA GLY 117 2HA GLY 117 11.150 5.036 -1.795 641 H GLU 118 H GLU 118 8.948 6.109 -2.739 642 HA GLU 118 HA GLU 118 9.504 8.868 -3.375 643 1HB GLU 118 2HB GLU 118 8.241 7.415 -4.868 644 2HB GLU 118 3HB GLU 118 6.995 7.162 -3.632 645 1HG GLU 118 2HG GLU 118 6.331 9.500 -3.742 646 2HG GLU 118 3HG GLU 118 7.732 9.903 -4.740 647 H ASP 119 H ASP 119 8.481 10.744 -2.474 648 HA ASP 119 HA ASP 119 7.930 10.524 0.362 649 1HB ASP 119 2HB ASP 119 7.995 13.025 0.184 650 2HB ASP 119 3HB ASP 119 9.464 12.231 -0.394 651 H GLY 120 H GLY 120 6.030 9.161 -0.613 652 1HA GLY 120 1HA GLY 120 3.582 10.249 0.120 653 2HA GLY 120 2HA GLY 120 3.706 10.621 -1.608 654 H LYS 121 H LYS 121 5.245 8.077 -2.178 655 HA LYS 121 HA LYS 121 2.897 6.207 -2.140 656 1HB LYS 121 2HB LYS 121 4.916 6.873 -4.292 657 2HB LYS 121 3HB LYS 121 4.145 5.294 -4.232 658 1HG LYS 121 2HG LYS 121 3.075 6.790 -5.767 659 2HG LYS 121 3HG LYS 121 1.959 6.219 -4.500 660 1HD LYS 121 2HD LYS 121 1.798 8.367 -3.513 661 2HD LYS 121 3HD LYS 121 3.389 8.857 -4.102 662 1HE LYS 121 2HE LYS 121 1.648 10.102 -5.269 663 2HE LYS 121 3HE LYS 121 2.642 9.137 -6.362 664 1HZ LYS 121 1HZ LYS 121 0.347 8.944 -6.909 665 2HZ LYS 121 2HZ LYS 121 0.923 7.487 -6.411 666 3HZ LYS 121 3HZ LYS 121 -0.028 8.383 -5.404 667 H LEU 122 H LEU 122 3.423 3.969 -2.140 668 HA LEU 122 HA LEU 122 5.938 3.349 -0.633 669 1HB LEU 122 2HB LEU 122 3.232 1.951 -0.418 670 2HB LEU 122 3HB LEU 122 4.701 1.669 0.516 671 HG LEU 122 HG LEU 122 4.388 4.279 1.130 672 1HD1 LEU 122 1HD1 LEU 122 1.588 3.355 0.471 673 2HD1 LEU 122 2HD1 LEU 122 1.987 4.768 1.486 674 3HD1 LEU 122 3HD1 LEU 122 2.414 4.764 -0.222 675 1HD2 LEU 122 1HD2 LEU 122 3.535 3.608 3.198 676 2HD2 LEU 122 2HD2 LEU 122 2.462 2.374 2.490 677 3HD2 LEU 122 3HD2 LEU 122 4.191 2.075 2.600 678 H ALA 123 H ALA 123 7.024 1.439 -1.219 679 HA ALA 123 HA ALA 123 6.100 0.148 -3.769 680 1HB ALA 123 1HB ALA 123 8.274 1.257 -3.986 681 2HB ALA 123 2HB ALA 123 8.895 0.381 -2.571 682 3HB ALA 123 3HB ALA 123 8.454 -0.508 -4.043 683 H ALA 124 H ALA 124 4.813 -1.491 -3.016 684 HA ALA 124 HA ALA 124 5.833 -3.182 -0.759 685 1HB ALA 124 1HB ALA 124 2.980 -2.925 -1.683 686 2HB ALA 124 2HB ALA 124 3.606 -3.831 -0.290 687 3HB ALA 124 3HB ALA 124 3.671 -2.057 -0.283 688 H THR 125 H THR 125 5.991 -5.385 -1.143 689 HA THR 125 HA THR 125 5.100 -6.324 -3.810 690 HB THR 125 HB THR 125 7.365 -5.869 -4.191 691 HG1 THR 125 1HG THR 125 6.264 -7.758 -5.097 692 1HG2 THR 125 1HG2 THR 125 8.311 -6.163 -1.917 693 2HG2 THR 125 2HG2 THR 125 7.996 -7.914 -2.016 694 3HG2 THR 125 3HG2 THR 125 9.155 -7.153 -3.122 695 H GLU 126 H GLU 126 5.685 -7.175 -0.381 696 HA GLU 126 HA GLU 126 4.757 -9.927 -0.900 697 1HB GLU 126 2HB GLU 126 5.210 -8.571 1.738 698 2HB GLU 126 3HB GLU 126 5.178 -10.294 1.404 699 1HG GLU 126 2HG GLU 126 7.296 -10.002 0.075 700 2HG GLU 126 3HG GLU 126 7.337 -8.294 0.538 701 H VAL 127 H VAL 127 2.601 -9.339 -1.829 702 HA VAL 127 HA VAL 127 0.654 -8.092 0.047 703 HB VAL 127 HB VAL 127 -0.976 -8.479 -1.765 704 1HG1 VAL 127 1HG1 VAL 127 -0.108 -6.289 -1.416 705 2HG1 VAL 127 2HG1 VAL 127 1.411 -6.662 -2.251 706 3HG1 VAL 127 3HG1 VAL 127 -0.117 -6.575 -3.158 707 1HG2 VAL 127 1HG2 VAL 127 0.653 -10.197 -3.002 708 2HG2 VAL 127 2HG2 VAL 127 -0.427 -9.105 -3.872 709 3HG2 VAL 127 3HG2 VAL 127 1.305 -8.738 -3.717 710 H LEU 128 H LEU 128 0.024 -9.364 1.694 711 HA LEU 128 HA LEU 128 -0.623 -12.227 1.151 712 1HB LEU 128 2HB LEU 128 -0.570 -10.838 3.819 713 2HB LEU 128 3HB LEU 128 -0.707 -12.551 3.472 714 HG LEU 128 HG LEU 128 1.454 -12.430 4.154 715 1HD1 LEU 128 1HD1 LEU 128 1.957 -11.836 1.216 716 2HD1 LEU 128 2HD1 LEU 128 2.991 -12.709 2.345 717 3HD1 LEU 128 3HD1 LEU 128 1.438 -13.414 1.859 718 1HD2 LEU 128 1HD2 LEU 128 1.672 -10.083 4.550 719 2HD2 LEU 128 2HD2 LEU 128 3.074 -10.638 3.622 720 3HD2 LEU 128 3HD2 LEU 128 1.785 -9.731 2.817 721 H ALA 129 H ALA 129 -2.585 -12.340 0.277 722 HA ALA 129 HA ALA 129 -4.723 -10.461 0.881 723 1HB ALA 129 1HB ALA 129 -5.979 -11.720 -0.810 724 2HB ALA 129 2HB ALA 129 -4.356 -11.318 -1.400 725 3HB ALA 129 3HB ALA 129 -4.715 -12.969 -0.842 726 H LYS 130 H LYS 130 -4.206 -11.400 3.267 727 HA LYS 130 HA LYS 130 -5.674 -13.870 3.884 728 1HB LYS 130 2HB LYS 130 -5.071 -13.355 6.205 729 2HB LYS 130 3HB LYS 130 -3.706 -13.544 5.116 730 1HG LYS 130 2HG LYS 130 -3.137 -11.293 5.101 731 2HG LYS 130 3HG LYS 130 -4.714 -10.731 5.659 732 1HD LYS 130 2HD LYS 130 -2.836 -12.412 7.365 733 2HD LYS 130 3HD LYS 130 -2.819 -10.638 7.345 734 1HE LYS 130 2HE LYS 130 -5.187 -10.554 8.056 735 2HE LYS 130 3HE LYS 130 -5.288 -12.313 8.076 736 1HZ LYS 130 1HZ LYS 130 -3.551 -10.702 9.809 737 2HZ LYS 130 2HZ LYS 130 -4.942 -11.472 10.238 738 3HZ LYS 130 3HZ LYS 130 -3.629 -12.351 9.792 739 H HIS 131 H HID 131 -7.664 -12.983 2.847 740 HA HIS 131 HA HID 131 -9.251 -11.239 4.677 741 1HB HIS 131 2HB HID 131 -8.978 -10.689 2.211 742 2HB HIS 131 3HB HID 131 -9.944 -12.109 1.847 743 HD1 HIS 131 1HD HID 131 -12.445 -11.405 1.547 744 HD2 HIS 131 2HD HID 131 -10.251 -8.978 4.192 745 HE1 HIS 131 1HE HID 131 -13.959 -9.440 2.170 746 H ASP 132 H ASP 132 -9.202 -13.326 6.177 747 HA ASP 132 HA ASP 132 -11.236 -15.299 5.446 748 1HB ASP 132 2HB ASP 132 -10.615 -16.283 7.604 749 2HB ASP 132 3HB ASP 132 -9.230 -16.092 6.522 Start of MODEL 9 1 H SER 32 H SER 32 13.650 0.303 18.597 2 HA SER 32 HA SER 32 14.413 -2.199 17.136 3 1HB SER 32 2HB SER 32 14.109 -2.119 19.722 4 2HB SER 32 3HB SER 32 12.372 -2.038 19.358 5 HG SER 32 HG SER 32 13.090 -4.193 19.583 6 H ASN 33 H ASN 33 13.343 0.007 15.653 7 HA ASN 33 HA ASN 33 10.492 -0.631 15.280 8 1HB ASN 33 2HB ASN 33 11.244 1.754 15.327 9 2HB ASN 33 3HB ASN 33 12.177 1.450 13.849 10 1HD2 ASN 33 1HD2 ASN 33 11.083 1.780 11.906 11 2HD2 ASN 33 2HD2 ASN 33 9.334 1.801 11.775 12 H LEU 34 H LEU 34 9.809 -1.854 13.554 13 HA LEU 34 HA LEU 34 11.641 -2.666 11.392 14 1HB LEU 34 2HB LEU 34 10.679 -4.411 13.685 15 2HB LEU 34 3HB LEU 34 10.829 -5.142 12.107 16 HG LEU 34 HG LEU 34 13.261 -3.665 12.542 17 1HD1 LEU 34 1HD1 LEU 34 14.144 -4.826 14.503 18 2HD1 LEU 34 2HD1 LEU 34 12.760 -3.815 14.954 19 3HD1 LEU 34 3HD1 LEU 34 12.561 -5.576 14.806 20 1HD2 LEU 34 1HD2 LEU 34 12.959 -5.613 11.065 21 2HD2 LEU 34 2HD2 LEU 34 14.264 -5.868 12.236 22 3HD2 LEU 34 3HD2 LEU 34 12.689 -6.651 12.484 23 H ASN 35 H ASN 35 10.042 -4.698 10.390 24 HA ASN 35 HA ASN 35 8.243 -2.967 9.002 25 1HB ASN 35 2HB ASN 35 8.523 -5.989 8.756 26 2HB ASN 35 3HB ASN 35 7.835 -4.882 7.558 27 1HD2 ASN 35 1HD2 ASN 35 9.933 -6.777 7.057 28 2HD2 ASN 35 2HD2 ASN 35 11.406 -5.883 6.741 29 H LEU 36 H LEU 36 6.638 -2.341 10.567 30 HA LEU 36 HA LEU 36 4.998 -4.490 11.783 31 1HB LEU 36 2HB LEU 36 4.117 -2.947 13.246 32 2HB LEU 36 3HB LEU 36 5.853 -2.703 13.251 33 HG LEU 36 HG LEU 36 4.274 -0.897 11.413 34 1HD1 LEU 36 1HD1 LEU 36 3.582 0.543 13.291 35 2HD1 LEU 36 2HD1 LEU 36 2.765 -1.030 13.330 36 3HD1 LEU 36 3HD1 LEU 36 4.111 -0.700 14.445 37 1HD2 LEU 36 1HD2 LEU 36 5.801 0.800 12.356 38 2HD2 LEU 36 2HD2 LEU 36 6.485 -0.408 13.460 39 3HD2 LEU 36 3HD2 LEU 36 6.704 -0.571 11.703 40 H PHE 37 H PHE 37 2.614 -4.194 11.799 41 HA PHE 37 HA PHE 37 1.628 -3.531 9.090 42 1HB PHE 37 2HB PHE 37 0.294 -4.869 11.473 43 2HB PHE 37 3HB PHE 37 -0.494 -4.520 9.946 44 HD1 PHE 37 1HD PHE 37 0.998 -7.134 11.723 45 HD2 PHE 37 2HD PHE 37 0.710 -5.452 7.762 46 HE1 PHE 37 1HE PHE 37 1.518 -9.345 10.735 47 HE2 PHE 37 2HE PHE 37 1.422 -7.631 6.796 48 HZ PHE 37 HZ PHE 37 1.748 -9.591 8.268 49 H TYR 38 H TYR 38 0.930 -1.517 8.722 50 HA TYR 38 HA TYR 38 -0.485 -0.057 10.882 51 1HB TYR 38 2HB TYR 38 2.166 0.435 10.040 52 2HB TYR 38 3HB TYR 38 1.232 1.546 9.056 53 HD1 TYR 38 HD1 TYR 38 0.738 0.421 12.650 54 HD2 TYR 38 HD2 TYR 38 2.012 3.578 10.011 55 HE1 TYR 38 HE1 TYR 38 0.909 1.929 14.554 56 HE2 TYR 38 HE2 TYR 38 2.247 5.090 11.942 57 HH TYR 38 HH TYR 38 1.371 4.098 15.263 58 H THR 39 H THR 39 -1.867 1.707 10.075 59 HA THR 39 HA THR 39 -3.258 0.631 7.749 60 HB THR 39 HB THR 39 -5.139 1.994 8.417 61 HG1 THR 39 1HG THR 39 -3.863 2.982 10.668 62 1HG2 THR 39 1HG2 THR 39 -3.898 0.699 10.888 63 2HG2 THR 39 2HG2 THR 39 -5.614 1.053 10.601 64 3HG2 THR 39 3HG2 THR 39 -4.782 -0.151 9.604 65 HA PRO 40 HA PRO 40 -1.978 3.752 4.794 66 1HB PRO 40 2HB PRO 40 -4.373 4.212 3.474 67 2HB PRO 40 3HB PRO 40 -3.277 2.834 3.180 68 1HG PRO 40 2HG PRO 40 -5.732 2.894 4.944 69 2HG PRO 40 3HG PRO 40 -5.273 1.665 3.734 70 1HD PRO 40 2HD PRO 40 -4.831 1.262 6.318 71 2HD PRO 40 3HD PRO 40 -3.559 0.809 5.156 72 H SER 41 H SER 41 -5.229 4.320 6.270 73 HA SER 41 HA SER 41 -5.423 6.994 6.285 74 1HB SER 41 2HB SER 41 -6.145 5.111 8.581 75 2HB SER 41 3HB SER 41 -6.982 6.598 8.098 76 HG SER 41 HG SER 41 -8.007 4.796 7.136 77 H GLU 42 H GLU 42 -3.703 5.036 8.799 78 HA GLU 42 HA GLU 42 -2.960 7.251 10.414 79 1HB GLU 42 2HB GLU 42 -2.807 4.803 11.009 80 2HB GLU 42 3HB GLU 42 -1.382 4.668 9.967 81 1HG GLU 42 2HG GLU 42 -0.692 4.922 12.250 82 2HG GLU 42 3HG GLU 42 -0.286 6.440 11.425 83 H ILE 43 H ILE 43 -1.114 5.510 7.823 84 HA ILE 43 HA ILE 43 1.060 7.272 8.109 85 HB ILE 43 HB ILE 43 1.972 6.348 6.018 86 1HG1 ILE 43 2HG1 ILE 43 -0.358 4.442 6.114 87 2HG1 ILE 43 3HG1 ILE 43 -0.270 5.809 4.988 88 1HG2 ILE 43 1HG2 ILE 43 2.400 5.471 8.313 89 2HG2 ILE 43 2HG2 ILE 43 1.039 4.343 8.098 90 3HG2 ILE 43 3HG2 ILE 43 2.493 4.213 7.086 91 1HD1 ILE 43 1HD1 ILE 43 0.466 3.708 3.938 92 2HD1 ILE 43 2HD1 ILE 43 1.777 4.909 4.021 93 3HD1 ILE 43 3HD1 ILE 43 1.743 3.518 5.139 94 H VAL 44 H VAL 44 -1.861 7.952 6.337 95 HA VAL 44 HA VAL 44 -0.680 10.080 4.765 96 HB VAL 44 HB VAL 44 -3.476 9.680 5.837 97 1HG1 VAL 44 1HG1 VAL 44 -3.162 12.110 5.491 98 2HG1 VAL 44 2HG1 VAL 44 -2.452 11.796 3.890 99 3HG1 VAL 44 3HG1 VAL 44 -4.163 11.440 4.204 100 1HG2 VAL 44 1HG2 VAL 44 -2.833 8.044 4.164 101 2HG2 VAL 44 2HG2 VAL 44 -4.012 9.173 3.495 102 3HG2 VAL 44 3HG2 VAL 44 -2.301 9.338 3.062 103 H ASN 45 H ASN 45 -2.159 10.095 8.034 104 HA ASN 45 HA ASN 45 -2.091 13.010 7.955 105 1HB ASN 45 2HB ASN 45 -3.110 11.066 10.035 106 2HB ASN 45 3HB ASN 45 -3.309 12.821 10.103 107 1HD2 ASN 45 1HD2 ASN 45 -4.418 9.857 8.358 108 2HD2 ASN 45 2HD2 ASN 45 -5.797 10.677 7.661 109 H GLY 46 H GLY 46 0.300 13.247 7.963 110 1HA GLY 46 1HA GLY 46 2.017 14.303 9.243 111 2HA GLY 46 2HA GLY 46 1.207 13.842 10.738 112 H LYS 47 H LYS 47 2.341 12.011 7.881 113 HA LYS 47 HA LYS 47 4.270 10.514 9.470 114 1HB LYS 47 2HB LYS 47 1.688 9.292 8.552 115 2HB LYS 47 3HB LYS 47 3.173 8.314 8.602 116 1HG LYS 47 2HG LYS 47 2.464 7.817 10.663 117 2HG LYS 47 3HG LYS 47 3.314 9.314 11.073 118 1HD LYS 47 2HD LYS 47 0.886 10.355 10.513 119 2HD LYS 47 3HD LYS 47 0.340 8.745 10.873 120 1HE LYS 47 2HE LYS 47 2.115 10.271 12.822 121 2HE LYS 47 3HE LYS 47 0.365 10.512 12.750 122 1HZ LYS 47 1HZ LYS 47 1.567 7.860 13.188 123 2HZ LYS 47 2HZ LYS 47 0.956 8.838 14.374 124 3HZ LYS 47 3HZ LYS 47 -0.016 8.272 13.208 125 H THR 48 H THR 48 2.857 9.128 6.572 126 HA THR 48 HA THR 48 5.400 9.339 5.191 127 HB THR 48 HB THR 48 2.752 8.024 4.432 128 HG1 THR 48 1HG THR 48 5.197 7.123 5.565 129 1HG2 THR 48 1HG2 THR 48 4.176 6.721 2.843 130 2HG2 THR 48 2HG2 THR 48 3.981 8.417 2.397 131 3HG2 THR 48 3HG2 THR 48 5.498 7.878 3.130 132 H ASP 49 H ASP 49 1.978 10.200 4.150 133 HA ASP 49 HA ASP 49 2.715 11.646 1.925 134 1HB ASP 49 2HB ASP 49 0.417 12.186 3.861 135 2HB ASP 49 3HB ASP 49 0.572 12.899 2.251 136 H THR 50 H THR 50 2.739 12.721 5.273 137 HA THR 50 HA THR 50 3.510 15.456 4.606 138 HB THR 50 HB THR 50 3.690 14.364 7.386 139 HG1 THR 50 1HG THR 50 1.313 14.402 5.880 140 1HG2 THR 50 1HG2 THR 50 2.518 16.471 7.904 141 2HG2 THR 50 2HG2 THR 50 3.901 16.810 6.843 142 3HG2 THR 50 3HG2 THR 50 2.259 16.782 6.174 143 H GLY 51 H GLY 51 5.200 12.486 4.983 144 1HA GLY 51 1HA GLY 51 7.295 11.828 5.450 145 2HA GLY 51 2HA GLY 51 7.745 13.302 4.584 146 H VAL 52 H VAL 52 6.208 12.861 7.817 147 HA VAL 52 HA VAL 52 8.260 14.783 8.876 148 HB VAL 52 HB VAL 52 6.826 15.090 10.802 149 1HG1 VAL 52 1HG1 VAL 52 5.470 15.498 8.125 150 2HG1 VAL 52 2HG1 VAL 52 5.074 16.356 9.624 151 3HG1 VAL 52 3HG1 VAL 52 6.662 16.572 8.866 152 1HG2 VAL 52 1HG2 VAL 52 4.470 14.294 10.719 153 2HG2 VAL 52 2HG2 VAL 52 4.904 13.223 9.372 154 3HG2 VAL 52 3HG2 VAL 52 5.623 12.985 10.980 155 H LYS 53 H LYS 53 7.004 11.559 9.630 156 HA LYS 53 HA LYS 53 9.276 11.171 11.509 157 1HB LYS 53 2HB LYS 53 6.387 10.317 11.662 158 2HB LYS 53 3HB LYS 53 7.623 9.284 12.407 159 1HG LYS 53 2HG LYS 53 7.420 12.264 12.901 160 2HG LYS 53 3HG LYS 53 6.529 11.093 13.876 161 1HD LYS 53 2HD LYS 53 8.431 10.192 14.897 162 2HD LYS 53 3HD LYS 53 9.441 10.447 13.507 163 1HE LYS 53 2HE LYS 53 10.419 12.063 14.614 164 2HE LYS 53 3HE LYS 53 9.066 13.072 14.155 165 1HZ LYS 53 1HZ LYS 53 9.474 13.199 16.500 166 2HZ LYS 53 2HZ LYS 53 8.011 12.485 16.263 167 3HZ LYS 53 3HZ LYS 53 9.318 11.576 16.690 168 HA PRO 54 HA PRO 54 9.488 7.208 9.054 169 1HB PRO 54 2HB PRO 54 7.586 6.393 7.290 170 2HB PRO 54 3HB PRO 54 7.469 6.066 9.044 171 1HG PRO 54 2HG PRO 54 6.161 8.315 7.494 172 2HG PRO 54 3HG PRO 54 5.391 7.204 8.662 173 1HD PRO 54 2HD PRO 54 6.288 9.698 9.357 174 2HD PRO 54 3HD PRO 54 6.381 8.313 10.492 175 H GLU 55 H GLU 55 11.054 8.610 8.135 176 HA GLU 55 HA GLU 55 10.860 10.286 5.970 177 1HB GLU 55 2HB GLU 55 12.962 8.578 7.241 178 2HB GLU 55 3HB GLU 55 13.264 8.889 5.540 179 1HG GLU 55 2HG GLU 55 12.633 11.125 7.499 180 2HG GLU 55 3HG GLU 55 14.269 10.561 7.123 181 H ALA 56 H ALA 56 11.680 9.915 3.799 182 HA ALA 56 HA ALA 56 10.140 7.886 2.353 183 1HB ALA 56 1HB ALA 56 11.440 8.724 0.410 184 2HB ALA 56 2HB ALA 56 10.758 10.056 1.375 185 3HB ALA 56 3HB ALA 56 12.481 9.650 1.531 186 H GLY 57 H GLY 57 10.988 5.901 1.464 187 1HA GLY 57 1HA GLY 57 12.469 4.154 1.252 188 2HA GLY 57 2HA GLY 57 13.754 5.138 1.924 189 H GLN 58 H GLN 58 10.782 4.765 3.776 190 HA GLN 58 HA GLN 58 12.160 3.084 5.819 191 1HB GLN 58 2HB GLN 58 9.571 4.666 5.806 192 2HB GLN 58 3HB GLN 58 9.967 3.518 7.083 193 1HG GLN 58 2HG GLN 58 11.898 5.759 6.376 194 2HG GLN 58 3HG GLN 58 10.492 6.023 7.405 195 1HE2 GLN 58 1HE2 GLN 58 13.619 4.408 7.202 196 2HE2 GLN 58 2HE2 GLN 58 13.707 4.037 8.917 197 H ARG 59 H ARG 59 11.212 1.093 6.437 198 HA ARG 59 HA ARG 59 9.690 -0.179 4.240 199 1HB ARG 59 2HB ARG 59 12.242 -0.649 5.021 200 2HB ARG 59 3HB ARG 59 11.448 -1.776 6.109 201 1HG ARG 59 2HG ARG 59 10.912 -1.724 3.103 202 2HG ARG 59 3HG ARG 59 12.339 -2.497 3.775 203 1HD ARG 59 2HD ARG 59 10.816 -3.941 5.202 204 2HD ARG 59 3HD ARG 59 9.440 -3.216 4.384 205 HE ARG 59 HE ARG 59 9.793 -4.557 2.572 206 1HH1 ARG 59 2HH2 ARG 59 12.752 -4.493 4.470 207 2HH1 ARG 59 1HH2 ARG 59 13.585 -5.710 3.548 208 1HH2 ARG 59 1HH1 ARG 59 10.883 -6.144 1.261 209 2HH2 ARG 59 2HH1 ARG 59 12.487 -6.649 1.665 210 H ILE 60 H ILE 60 7.620 -0.766 4.827 211 HA ILE 60 HA ILE 60 7.090 -1.730 7.535 212 HB ILE 60 HB ILE 60 5.530 -0.249 8.273 213 1HG1 ILE 60 2HG1 ILE 60 4.124 0.121 6.351 214 2HG1 ILE 60 3HG1 ILE 60 4.513 1.623 7.163 215 1HG2 ILE 60 1HG2 ILE 60 7.728 0.684 8.621 216 2HG2 ILE 60 2HG2 ILE 60 7.653 1.577 7.087 217 3HG2 ILE 60 3HG2 ILE 60 6.537 1.968 8.404 218 1HD1 ILE 60 1HD1 ILE 60 5.831 0.645 4.592 219 2HD1 ILE 60 2HD1 ILE 60 4.564 1.875 4.746 220 3HD1 ILE 60 3HD1 ILE 60 6.169 2.177 5.440 221 H ARG 61 H ARG 61 4.531 -2.260 7.684 222 HA ARG 61 HA ARG 61 3.843 -3.467 5.048 223 1HB ARG 61 2HB ARG 61 2.850 -4.446 7.693 224 2HB ARG 61 3HB ARG 61 2.876 -5.258 6.137 225 1HG ARG 61 2HG ARG 61 5.478 -5.062 6.347 226 2HG ARG 61 3HG ARG 61 5.206 -4.600 8.009 227 1HD ARG 61 2HD ARG 61 4.036 -7.202 6.937 228 2HD ARG 61 3HD ARG 61 5.709 -7.053 7.517 229 HE ARG 61 HE ARG 61 3.660 -6.019 9.340 230 1HH1 ARG 61 2HH2 ARG 61 5.235 -8.974 8.320 231 2HH1 ARG 61 1HH2 ARG 61 5.449 -9.636 9.913 232 1HH2 ARG 61 1HH1 ARG 61 3.993 -6.802 11.504 233 2HH2 ARG 61 2HH1 ARG 61 4.668 -8.377 11.776 234 H VAL 62 H VAL 62 2.245 -2.375 4.064 235 HA VAL 62 HA VAL 62 0.429 -0.617 5.618 236 HB VAL 62 HB VAL 62 1.176 0.351 3.584 237 1HG1 VAL 62 1HG1 VAL 62 0.707 -0.488 1.365 238 2HG1 VAL 62 2HG1 VAL 62 1.670 -1.681 2.219 239 3HG1 VAL 62 3HG1 VAL 62 -0.091 -1.926 2.007 240 1HG2 VAL 62 1HG2 VAL 62 -1.719 -0.547 3.208 241 2HG2 VAL 62 2HG2 VAL 62 -1.185 0.758 4.296 242 3HG2 VAL 62 3HG2 VAL 62 -0.958 0.904 2.542 243 H GLY 63 H GLY 63 -1.395 -1.473 6.481 244 1HA GLY 63 1HA GLY 63 -2.622 -3.901 5.208 245 2HA GLY 63 2HA GLY 63 -2.331 -3.775 6.945 246 H GLY 64 H GLY 64 -4.669 -3.445 4.611 247 1HA GLY 64 1HA GLY 64 -6.526 -1.981 6.216 248 2HA GLY 64 2HA GLY 64 -5.816 -0.901 4.994 249 H MET 65 H MET 65 -7.970 -0.795 3.985 250 HA MET 65 HA MET 65 -8.765 -3.303 2.584 251 1HB MET 65 2HB MET 65 -11.063 -2.419 2.604 252 2HB MET 65 3HB MET 65 -10.387 -2.881 4.168 253 1HG MET 65 2HG MET 65 -9.917 -0.452 4.641 254 2HG MET 65 3HG MET 65 -10.714 -0.051 3.111 255 1HE MET 65 1HE MET 65 -10.977 -1.382 6.722 256 2HE MET 65 2HE MET 65 -12.717 -1.679 6.935 257 3HE MET 65 3HE MET 65 -11.761 -2.746 5.886 258 H VAL 66 H VAL 66 -9.007 -3.310 0.497 259 HA VAL 66 HA VAL 66 -8.353 -0.777 -0.976 260 HB VAL 66 HB VAL 66 -7.080 -2.912 -1.458 261 1HG1 VAL 66 1HG1 VAL 66 -9.557 -3.653 -3.036 262 2HG1 VAL 66 2HG1 VAL 66 -8.022 -4.534 -2.972 263 3HG1 VAL 66 3HG1 VAL 66 -9.049 -4.469 -1.540 264 1HG2 VAL 66 1HG2 VAL 66 -6.621 -1.425 -3.087 265 2HG2 VAL 66 2HG2 VAL 66 -7.658 -2.436 -4.109 266 3HG2 VAL 66 3HG2 VAL 66 -8.312 -0.986 -3.348 267 H THR 67 H THR 67 -9.870 0.213 -2.344 268 HA THR 67 HA THR 67 -12.657 -0.691 -2.219 269 HB THR 67 HB THR 67 -11.198 1.818 -2.829 270 HG1 THR 67 1HG THR 67 -13.837 1.135 -2.013 271 1HG2 THR 67 1HG2 THR 67 -13.719 1.315 -4.458 272 2HG2 THR 67 2HG2 THR 67 -12.817 2.825 -4.277 273 3HG2 THR 67 3HG2 THR 67 -12.074 1.476 -5.128 274 H VAL 68 H VAL 68 -13.784 -0.972 -4.212 275 HA VAL 68 HA VAL 68 -12.635 -2.804 -5.975 276 HB VAL 68 HB VAL 68 -14.970 -2.743 -5.481 277 1HG1 VAL 68 1HG1 VAL 68 -15.368 -0.342 -7.300 278 2HG1 VAL 68 2HG1 VAL 68 -16.562 -1.219 -6.344 279 3HG1 VAL 68 3HG1 VAL 68 -15.348 -0.237 -5.521 280 1HG2 VAL 68 1HG2 VAL 68 -15.820 -3.239 -7.708 281 2HG2 VAL 68 2HG2 VAL 68 -14.451 -2.389 -8.456 282 3HG2 VAL 68 3HG2 VAL 68 -14.174 -3.869 -7.511 283 H GLY 69 H GLY 69 -13.593 0.576 -6.812 284 1HA GLY 69 1HA GLY 69 -11.989 0.532 -9.252 285 2HA GLY 69 2HA GLY 69 -12.935 1.875 -8.599 286 H SER 70 H SER 70 -10.159 -0.072 -7.507 287 HA SER 70 HA SER 70 -8.590 2.433 -6.908 288 1HB SER 70 2HB SER 70 -8.733 -0.194 -5.387 289 2HB SER 70 3HB SER 70 -7.639 1.140 -5.004 290 HG SER 70 HG SER 70 -9.596 2.465 -4.859 291 H MET 71 H MET 71 -8.445 -1.019 -7.886 292 HA MET 71 HA MET 71 -5.609 -0.983 -8.239 293 1HB MET 71 2HB MET 71 -6.754 -3.059 -7.674 294 2HB MET 71 3HB MET 71 -7.876 -2.813 -9.008 295 1HG MET 71 2HG MET 71 -6.708 -4.557 -9.713 296 2HG MET 71 3HG MET 71 -5.963 -3.255 -10.625 297 1HE MET 71 1HE MET 71 -2.460 -3.047 -8.918 298 2HE MET 71 2HE MET 71 -3.446 -2.589 -10.342 299 3HE MET 71 3HE MET 71 -3.913 -2.067 -8.715 300 H VAL 72 H VAL 72 -4.528 -0.047 -9.957 301 HA VAL 72 HA VAL 72 -5.823 -0.176 -12.631 302 HB VAL 72 HB VAL 72 -4.901 1.974 -13.244 303 1HG1 VAL 72 1HG1 VAL 72 -6.501 3.390 -12.077 304 2HG1 VAL 72 2HG1 VAL 72 -7.233 1.806 -12.386 305 3HG1 VAL 72 3HG1 VAL 72 -6.650 2.218 -10.758 306 1HG2 VAL 72 1HG2 VAL 72 -4.144 3.591 -11.511 307 2HG2 VAL 72 2HG2 VAL 72 -4.109 2.274 -10.320 308 3HG2 VAL 72 3HG2 VAL 72 -3.026 2.245 -11.742 309 H ARG 73 H ARG 73 -4.553 -1.056 -14.147 310 HA ARG 73 HA ARG 73 -1.801 -1.860 -13.344 311 1HB ARG 73 2HB ARG 73 -2.098 -3.732 -14.904 312 2HB ARG 73 3HB ARG 73 -3.135 -3.825 -13.472 313 1HG ARG 73 2HG ARG 73 -5.069 -3.606 -14.642 314 2HG ARG 73 3HG ARG 73 -4.373 -2.586 -15.917 315 1HD ARG 73 2HD ARG 73 -3.337 -4.357 -17.017 316 2HD ARG 73 3HD ARG 73 -3.493 -5.471 -15.638 317 HE ARG 73 HE ARG 73 -6.081 -4.989 -16.156 318 1HH1 ARG 73 2HH2 ARG 73 -3.446 -5.913 -18.340 319 2HH1 ARG 73 1HH2 ARG 73 -4.403 -6.998 -19.287 320 1HH2 ARG 73 1HH1 ARG 73 -7.352 -6.496 -17.341 321 2HH2 ARG 73 2HH1 ARG 73 -6.686 -7.336 -18.703 322 H ASP 74 H ASP 74 -0.079 -1.712 -14.875 323 HA ASP 74 HA ASP 74 -0.453 0.354 -16.848 324 1HB ASP 74 2HB ASP 74 1.758 -1.591 -16.091 325 2HB ASP 74 3HB ASP 74 1.824 -0.710 -17.615 326 HA PRO 75 HA PRO 75 -1.509 -2.444 -20.283 327 1HB PRO 75 2HB PRO 75 -0.422 -1.079 -22.416 328 2HB PRO 75 3HB PRO 75 -1.907 -0.520 -21.592 329 1HG PRO 75 2HG PRO 75 0.932 0.434 -21.118 330 2HG PRO 75 3HG PRO 75 -0.529 1.429 -21.375 331 1HD PRO 75 2HD PRO 75 0.433 0.895 -18.889 332 2HD PRO 75 3HD PRO 75 -1.327 0.975 -19.186 333 H ASN 76 H ASN 76 1.699 -1.270 -19.565 334 HA ASN 76 HA ASN 76 3.352 -3.144 -20.788 335 1HB ASN 76 2HB ASN 76 3.519 -2.156 -17.895 336 2HB ASN 76 3HB ASN 76 4.806 -2.893 -18.842 337 1HD2 ASN 76 1HD2 ASN 76 3.705 0.243 -17.869 338 2HD2 ASN 76 2HD2 ASN 76 4.480 1.045 -19.194 339 H SER 77 H SER 77 1.002 -3.627 -18.152 340 HA SER 77 HA SER 77 0.153 -5.416 -17.185 341 1HB SER 77 2HB SER 77 1.309 -6.988 -19.530 342 2HB SER 77 3HB SER 77 0.065 -7.539 -18.411 343 HG SER 77 HG SER 77 -0.096 -5.263 -20.128 344 H LEU 78 H LEU 78 2.883 -4.596 -16.606 345 HA LEU 78 HA LEU 78 3.710 -6.908 -14.933 346 1HB LEU 78 2HB LEU 78 6.028 -5.845 -14.972 347 2HB LEU 78 3HB LEU 78 5.495 -6.922 -16.243 348 HG LEU 78 HG LEU 78 4.802 -4.175 -16.982 349 1HD1 LEU 78 1HD1 LEU 78 7.725 -4.601 -16.379 350 2HD1 LEU 78 2HD1 LEU 78 6.963 -3.199 -17.181 351 3HD1 LEU 78 3HD1 LEU 78 6.600 -3.561 -15.479 352 1HD2 LEU 78 1HD2 LEU 78 5.053 -6.251 -18.385 353 2HD2 LEU 78 2HD2 LEU 78 5.931 -4.844 -19.020 354 3HD2 LEU 78 3HD2 LEU 78 6.808 -6.135 -18.160 355 H HIS 79 H HID 79 3.351 -3.314 -15.181 356 HA HIS 79 HA HID 79 3.997 -3.000 -12.312 357 1HB HIS 79 2HB HID 79 3.550 -1.056 -14.600 358 2HB HIS 79 3HB HID 79 3.683 -0.562 -12.913 359 HD1 HIS 79 1HD HID 79 6.172 -1.589 -11.771 360 HD2 HIS 79 2HD HID 79 5.759 -0.740 -15.876 361 HE1 HIS 79 1HE HID 79 8.530 -1.226 -12.685 362 H VAL 80 H VAL 80 2.380 -2.449 -10.885 363 HA VAL 80 HA VAL 80 -0.339 -1.928 -11.847 364 HB VAL 80 HB VAL 80 -1.202 -3.923 -10.561 365 1HG1 VAL 80 1HG1 VAL 80 -0.983 -5.521 -12.242 366 2HG1 VAL 80 2HG1 VAL 80 -0.845 -3.963 -13.072 367 3HG1 VAL 80 3HG1 VAL 80 0.608 -4.928 -12.749 368 1HG2 VAL 80 1HG2 VAL 80 0.445 -5.874 -10.418 369 2HG2 VAL 80 2HG2 VAL 80 1.759 -4.705 -10.466 370 3HG2 VAL 80 3HG2 VAL 80 0.550 -4.638 -9.163 371 H GLN 81 H GLN 81 -1.395 -0.574 -10.391 372 HA GLN 81 HA GLN 81 -0.206 -0.398 -7.680 373 1HB GLN 81 2HB GLN 81 -0.126 2.010 -7.745 374 2HB GLN 81 3HB GLN 81 0.999 1.285 -8.912 375 1HG GLN 81 2HG GLN 81 -0.014 2.128 -10.698 376 2HG GLN 81 3HG GLN 81 -1.632 1.892 -10.051 377 1HE2 GLN 81 1HE2 GLN 81 -2.762 3.719 -9.564 378 2HE2 GLN 81 2HE2 GLN 81 -2.044 5.270 -9.185 379 H PHE 82 H PHE 82 -1.572 0.365 -6.073 380 HA PHE 82 HA PHE 82 -4.440 0.607 -6.810 381 1HB PHE 82 2HB PHE 82 -4.986 -1.119 -5.091 382 2HB PHE 82 3HB PHE 82 -4.207 -1.741 -6.519 383 HD1 PHE 82 1HD PHE 82 -2.231 -3.075 -6.392 384 HD2 PHE 82 2HD PHE 82 -3.512 -0.765 -3.001 385 HE1 PHE 82 1HE PHE 82 -0.700 -4.359 -4.940 386 HE2 PHE 82 2HE PHE 82 -1.965 -2.063 -1.536 387 HZ PHE 82 HZ PHE 82 -0.700 -3.964 -2.475 388 H ALA 83 H ALA 83 -5.700 1.753 -5.366 389 HA ALA 83 HA ALA 83 -4.261 3.243 -3.274 390 1HB ALA 83 1HB ALA 83 -7.138 3.411 -4.255 391 2HB ALA 83 2HB ALA 83 -6.406 4.416 -2.991 392 3HB ALA 83 3HB ALA 83 -5.812 4.526 -4.653 393 H VAL 84 H VAL 84 -4.656 2.922 -1.075 394 HA VAL 84 HA VAL 84 -6.611 0.840 -0.266 395 HB VAL 84 HB VAL 84 -3.948 1.146 1.167 396 1HG1 VAL 84 1HG1 VAL 84 -5.948 0.060 2.335 397 2HG1 VAL 84 2HG1 VAL 84 -5.923 -1.179 1.072 398 3HG1 VAL 84 3HG1 VAL 84 -4.540 -0.996 2.162 399 1HG2 VAL 84 1HG2 VAL 84 -3.239 -0.994 0.122 400 2HG2 VAL 84 2HG2 VAL 84 -4.619 -0.880 -0.995 401 3HG2 VAL 84 3HG2 VAL 84 -3.314 0.344 -1.034 402 H HIS 85 H HID 85 -7.684 1.446 1.642 403 HA HIS 85 HA HID 85 -6.835 3.859 3.077 404 1HB HIS 85 2HB HID 85 -9.115 4.889 2.870 405 2HB HIS 85 3HB HID 85 -8.122 4.952 1.427 406 HD1 HIS 85 1HD HID 85 -10.215 5.355 -0.110 407 HD2 HIS 85 2HD HID 85 -9.872 1.647 1.814 408 HE1 HIS 85 1HE HID 85 -12.025 3.872 -1.084 409 H ASP 86 H ASP 86 -8.542 4.179 4.939 410 HA ASP 86 HA ASP 86 -10.089 1.800 5.543 411 1HB ASP 86 2HB ASP 86 -7.744 1.345 6.402 412 2HB ASP 86 3HB ASP 86 -7.998 2.610 7.612 413 H SER 87 H SER 87 -11.833 2.359 6.683 414 HA SER 87 HA SER 87 -13.498 3.867 7.364 415 1HB SER 87 2HB SER 87 -12.414 2.750 9.293 416 2HB SER 87 3HB SER 87 -11.245 4.071 9.411 417 HG SER 87 HG SER 87 -13.007 5.490 9.744 418 H LEU 88 H LEU 88 -12.380 5.180 5.443 419 HA LEU 88 HA LEU 88 -10.910 6.661 4.644 420 1HB LEU 88 2HB LEU 88 -13.682 7.700 5.023 421 2HB LEU 88 3HB LEU 88 -12.568 8.870 4.389 422 HG LEU 88 HG LEU 88 -13.921 7.651 2.743 423 1HD1 LEU 88 1HD1 LEU 88 -12.123 7.590 1.073 424 2HD1 LEU 88 2HD1 LEU 88 -11.973 8.993 2.141 425 3HD1 LEU 88 3HD1 LEU 88 -10.903 7.592 2.365 426 1HD2 LEU 88 1HD2 LEU 88 -13.669 5.332 3.621 427 2HD2 LEU 88 2HD2 LEU 88 -13.277 5.499 1.902 428 3HD2 LEU 88 3HD2 LEU 88 -11.969 5.343 3.082 429 H GLY 89 H GLY 89 -10.147 6.666 7.357 430 1HA GLY 89 1HA GLY 89 -9.657 9.354 8.302 431 2HA GLY 89 2HA GLY 89 -8.696 7.920 8.676 432 H GLY 90 H GLY 90 -8.304 7.365 5.687 433 1HA GLY 90 1HA GLY 90 -7.564 9.567 4.250 434 2HA GLY 90 2HA GLY 90 -6.047 8.993 5.007 435 H GLU 91 H GLU 91 -5.965 8.823 2.369 436 HA GLU 91 HA GLU 91 -6.288 5.970 1.752 437 1HB GLU 91 2HB GLU 91 -8.194 7.230 0.708 438 2HB GLU 91 3HB GLU 91 -7.043 8.283 -0.120 439 1HG GLU 91 2HG GLU 91 -6.220 6.479 -1.483 440 2HG GLU 91 3HG GLU 91 -7.063 5.257 -0.524 441 H ILE 92 H ILE 92 -4.582 5.156 0.647 442 HA ILE 92 HA ILE 92 -2.327 6.972 0.025 443 HB ILE 92 HB ILE 92 -2.560 5.093 2.223 444 1HG1 ILE 92 2HG1 ILE 92 -1.442 7.052 2.684 445 2HG1 ILE 92 3HG1 ILE 92 -0.214 5.794 2.724 446 1HG2 ILE 92 1HG2 ILE 92 -0.615 3.658 1.932 447 2HG2 ILE 92 2HG2 ILE 92 -1.908 3.281 0.796 448 3HG2 ILE 92 3HG2 ILE 92 -0.476 4.175 0.250 449 1HD1 ILE 92 1HD1 ILE 92 0.868 7.488 1.632 450 2HD1 ILE 92 2HD1 ILE 92 0.262 6.557 0.248 451 3HD1 ILE 92 3HD1 ILE 92 -0.574 8.047 0.788 452 H LEU 93 H LEU 93 -0.797 5.963 -1.520 453 HA LEU 93 HA LEU 93 -2.222 4.038 -3.300 454 1HB LEU 93 2HB LEU 93 -0.767 6.615 -3.899 455 2HB LEU 93 3HB LEU 93 -0.729 5.313 -5.095 456 HG LEU 93 HG LEU 93 -3.387 6.166 -3.931 457 1HD1 LEU 93 1HD1 LEU 93 -2.258 8.245 -4.771 458 2HD1 LEU 93 2HD1 LEU 93 -2.118 7.472 -6.371 459 3HD1 LEU 93 3HD1 LEU 93 -3.712 7.793 -5.677 460 1HD2 LEU 93 1HD2 LEU 93 -2.520 5.052 -6.653 461 2HD2 LEU 93 2HD2 LEU 93 -3.244 4.106 -5.348 462 3HD2 LEU 93 3HD2 LEU 93 -4.187 5.373 -6.150 463 H VAL 94 H VAL 94 -1.220 2.208 -3.550 464 HA VAL 94 HA VAL 94 1.662 1.988 -2.817 465 HB VAL 94 HB VAL 94 -0.476 -0.152 -2.903 466 1HG1 VAL 94 1HG1 VAL 94 2.294 -0.040 -1.628 467 2HG1 VAL 94 2HG1 VAL 94 1.149 -1.395 -1.489 468 3HG1 VAL 94 3HG1 VAL 94 1.839 -0.975 -3.068 469 1HG2 VAL 94 1HG2 VAL 94 0.490 1.416 -0.474 470 2HG2 VAL 94 2HG2 VAL 94 -1.140 1.487 -1.176 471 3HG2 VAL 94 3HG2 VAL 94 -0.575 -0.010 -0.449 472 H THR 95 H THR 95 3.045 1.385 -4.456 473 HA THR 95 HA THR 95 1.909 0.556 -7.068 474 HB THR 95 HB THR 95 4.093 1.332 -7.960 475 HG1 THR 95 1HG THR 95 5.177 1.003 -5.876 476 1HG2 THR 95 1HG2 THR 95 3.798 3.739 -7.642 477 2HG2 THR 95 2HG2 THR 95 2.201 2.985 -7.801 478 3HG2 THR 95 3HG2 THR 95 2.801 3.473 -6.200 479 H TYR 96 H TYR 96 2.556 -1.358 -7.997 480 HA TYR 96 HA TYR 96 4.501 -3.084 -6.597 481 1HB TYR 96 2HB TYR 96 1.849 -3.396 -6.189 482 2HB TYR 96 3HB TYR 96 1.912 -4.036 -7.789 483 HD1 TYR 96 HD1 TYR 96 3.350 -6.079 -8.294 484 HD2 TYR 96 HD2 TYR 96 2.204 -4.849 -4.338 485 HE1 TYR 96 HE1 TYR 96 3.787 -8.365 -7.471 486 HE2 TYR 96 HE2 TYR 96 2.572 -7.178 -3.543 487 HH TYR 96 HH TYR 96 4.129 -9.360 -4.640 488 H ASP 97 H ASP 97 5.235 -4.897 -8.102 489 HA ASP 97 HA ASP 97 5.227 -4.310 -10.906 490 1HB ASP 97 2HB ASP 97 7.868 -4.616 -10.531 491 2HB ASP 97 3HB ASP 97 7.098 -3.028 -10.526 492 H ASP 98 H ASP 98 5.710 -6.023 -11.915 493 HA ASP 98 HA ASP 98 5.852 -8.122 -12.676 494 1HB ASP 98 2HB ASP 98 7.018 -8.822 -9.953 495 2HB ASP 98 3HB ASP 98 6.810 -9.921 -11.318 496 H LEU 99 H LEU 99 3.494 -7.314 -12.392 497 HA LEU 99 HA LEU 99 1.328 -7.887 -12.171 498 1HB LEU 99 2HB LEU 99 2.623 -10.632 -12.208 499 2HB LEU 99 3HB LEU 99 0.881 -10.411 -12.250 500 HG LEU 99 HG LEU 99 2.098 -8.673 -14.225 501 1HD1 LEU 99 1HD1 LEU 99 3.880 -10.355 -14.323 502 2HD1 LEU 99 2HD1 LEU 99 2.674 -11.649 -14.515 503 3HD1 LEU 99 3HD1 LEU 99 2.869 -10.413 -15.778 504 1HD2 LEU 99 1HD2 LEU 99 0.461 -9.774 -15.678 505 2HD2 LEU 99 2HD2 LEU 99 0.191 -11.040 -14.463 506 3HD2 LEU 99 3HD2 LEU 99 -0.289 -9.361 -14.125 507 H LEU 100 H LEU 100 0.228 -10.131 -10.428 508 HA LEU 100 HA LEU 100 1.034 -9.328 -7.745 509 1HB LEU 100 2HB LEU 100 -1.660 -8.751 -9.067 510 2HB LEU 100 3HB LEU 100 -1.612 -9.031 -7.331 511 HG LEU 100 HG LEU 100 0.175 -6.960 -8.601 512 1HD1 LEU 100 1HD1 LEU 100 -1.391 -5.238 -8.427 513 2HD1 LEU 100 2HD1 LEU 100 -2.351 -6.548 -9.135 514 3HD1 LEU 100 3HD1 LEU 100 -2.437 -6.151 -7.393 515 1HD2 LEU 100 1HD2 LEU 100 -1.040 -7.106 -5.838 516 2HD2 LEU 100 2HD2 LEU 100 0.593 -7.660 -6.251 517 3HD2 LEU 100 3HD2 LEU 100 0.161 -5.947 -6.427 518 HA PRO 101 HA PRO 101 0.275 -13.643 -7.302 519 1HB PRO 101 2HB PRO 101 -0.678 -13.944 -4.720 520 2HB PRO 101 3HB PRO 101 0.995 -13.480 -5.123 521 1HG PRO 101 2HG PRO 101 -1.289 -11.601 -4.432 522 2HG PRO 101 3HG PRO 101 0.328 -11.627 -3.710 523 1HD PRO 101 2HD PRO 101 -0.241 -9.925 -5.711 524 2HD PRO 101 3HD PRO 101 1.319 -10.796 -5.737 525 H ASP 102 H ASP 102 -2.536 -12.858 -5.219 526 HA ASP 102 HA ASP 102 -4.332 -14.375 -6.803 527 1HB ASP 102 2HB ASP 102 -4.946 -12.288 -4.662 528 2HB ASP 102 3HB ASP 102 -5.935 -13.685 -5.114 529 H LEU 103 H LEU 103 -3.223 -12.380 -8.516 530 HA LEU 103 HA LEU 103 -3.306 -10.399 -9.496 531 1HB LEU 103 2HB LEU 103 -4.966 -10.166 -11.112 532 2HB LEU 103 3HB LEU 103 -4.625 -11.876 -10.921 533 HG LEU 103 HG LEU 103 -6.905 -10.892 -9.246 534 1HD1 LEU 103 1HD1 LEU 103 -7.226 -9.447 -11.190 535 2HD1 LEU 103 2HD1 LEU 103 -7.130 -10.855 -12.275 536 3HD1 LEU 103 3HD1 LEU 103 -8.472 -10.702 -11.117 537 1HD2 LEU 103 1HD2 LEU 103 -6.358 -13.303 -9.520 538 2HD2 LEU 103 2HD2 LEU 103 -7.967 -12.926 -10.164 539 3HD2 LEU 103 3HD2 LEU 103 -6.606 -13.157 -11.273 540 H PHE 104 H PHE 104 -4.739 -10.240 -6.620 541 HA PHE 104 HA PHE 104 -5.637 -8.668 -5.313 542 1HB PHE 104 2HB PHE 104 -4.199 -7.124 -7.122 543 2HB PHE 104 3HB PHE 104 -5.761 -6.396 -7.214 544 HD1 PHE 104 1HD PHE 104 -3.098 -7.477 -4.778 545 HD2 PHE 104 2HD PHE 104 -6.357 -4.749 -5.586 546 HE1 PHE 104 1HE PHE 104 -2.480 -6.146 -2.825 547 HE2 PHE 104 2HE PHE 104 -5.705 -3.444 -3.595 548 HZ PHE 104 HZ PHE 104 -3.853 -4.152 -2.182 549 H ARG 105 H ARG 105 -7.665 -9.907 -5.390 550 HA ARG 105 HA ARG 105 -9.593 -9.155 -7.554 551 1HB ARG 105 2HB ARG 105 -9.786 -10.767 -4.974 552 2HB ARG 105 3HB ARG 105 -11.038 -10.733 -6.197 553 1HG ARG 105 2HG ARG 105 -8.300 -11.630 -7.060 554 2HG ARG 105 3HG ARG 105 -9.251 -12.721 -6.053 555 1HD ARG 105 2HD ARG 105 -10.181 -11.430 -8.631 556 2HD ARG 105 3HD ARG 105 -9.550 -13.090 -8.498 557 HE ARG 105 HE ARG 105 -11.463 -13.259 -6.677 558 1HH1 ARG 105 2HH2 ARG 105 -11.660 -11.877 -9.916 559 2HH1 ARG 105 1HH2 ARG 105 -13.350 -12.200 -10.132 560 1HH2 ARG 105 1HH1 ARG 105 -13.693 -13.742 -6.934 561 2HH2 ARG 105 2HH1 ARG 105 -14.528 -13.315 -8.391 562 H GLU 106 H GLU 106 -8.684 -7.093 -5.356 563 HA GLU 106 HA GLU 106 -9.623 -5.182 -4.897 564 1HB GLU 106 2HB GLU 106 -11.813 -6.144 -6.739 565 2HB GLU 106 3HB GLU 106 -11.514 -4.502 -6.246 566 1HG GLU 106 2HG GLU 106 -9.686 -4.155 -7.484 567 2HG GLU 106 3HG GLU 106 -9.018 -5.752 -7.214 568 H GLY 107 H GLY 107 -11.661 -3.962 -3.976 569 1HA GLY 107 1HA GLY 107 -13.067 -3.717 -2.131 570 2HA GLY 107 2HA GLY 107 -13.879 -5.008 -3.003 571 H GLN 108 H GLN 108 -10.833 -5.386 -1.188 572 HA GLN 108 HA GLN 108 -12.138 -6.832 1.023 573 1HB GLN 108 2HB GLN 108 -10.881 -8.849 0.603 574 2HB GLN 108 3HB GLN 108 -11.720 -8.427 -0.891 575 1HG GLN 108 2HG GLN 108 -9.496 -7.290 -1.616 576 2HG GLN 108 3HG GLN 108 -8.784 -8.082 -0.205 577 1HE2 GLN 108 1HE2 GLN 108 -7.626 -8.697 -2.555 578 2HE2 GLN 108 2HE2 GLN 108 -8.071 -10.343 -2.992 579 H GLY 109 H GLY 109 -10.123 -7.641 2.486 580 1HA GLY 109 1HA GLY 109 -8.254 -5.323 2.692 581 2HA GLY 109 2HA GLY 109 -8.868 -6.202 4.064 582 H ILE 110 H ILE 110 -6.175 -5.667 2.570 583 HA ILE 110 HA ILE 110 -5.062 -8.401 2.687 584 HB ILE 110 HB ILE 110 -3.854 -8.146 0.608 585 1HG1 ILE 110 2HG1 ILE 110 -4.790 -6.145 -0.900 586 2HG1 ILE 110 3HG1 ILE 110 -4.803 -5.310 0.654 587 1HG2 ILE 110 1HG2 ILE 110 -6.330 -8.936 0.570 588 2HG2 ILE 110 2HG2 ILE 110 -6.682 -7.331 -0.092 589 3HG2 ILE 110 3HG2 ILE 110 -5.599 -8.429 -0.964 590 1HD1 ILE 110 1HD1 ILE 110 -2.638 -5.052 -0.562 591 2HD1 ILE 110 2HD1 ILE 110 -2.399 -5.910 0.946 592 3HD1 ILE 110 3HD1 ILE 110 -2.435 -6.822 -0.579 593 H VAL 111 H VAL 111 -2.602 -8.193 2.797 594 HA VAL 111 HA VAL 111 -1.774 -5.581 4.015 595 HB VAL 111 HB VAL 111 -0.021 -7.012 5.192 596 1HG1 VAL 111 1HG1 VAL 111 -1.646 -7.532 7.096 597 2HG1 VAL 111 2HG1 VAL 111 -1.622 -5.870 6.491 598 3HG1 VAL 111 3HG1 VAL 111 -2.934 -6.956 6.010 599 1HG2 VAL 111 1HG2 VAL 111 -0.540 -9.138 3.991 600 2HG2 VAL 111 2HG2 VAL 111 -0.578 -9.305 5.754 601 3HG2 VAL 111 3HG2 VAL 111 -2.093 -9.229 4.836 602 H ALA 112 H ALA 112 0.167 -4.780 3.267 603 HA ALA 112 HA ALA 112 1.560 -6.316 1.138 604 1HB ALA 112 1HB ALA 112 1.041 -3.369 0.827 605 2HB ALA 112 2HB ALA 112 1.541 -4.540 -0.377 606 3HB ALA 112 3HB ALA 112 -0.127 -4.560 0.254 607 H GLN 113 H GLN 113 3.727 -6.333 1.387 608 HA GLN 113 HA GLN 113 4.991 -4.414 3.301 609 1HB GLN 113 2HB GLN 113 5.808 -7.196 2.378 610 2HB GLN 113 3HB GLN 113 6.840 -6.119 3.306 611 1HG GLN 113 2HG GLN 113 5.960 -6.960 5.141 612 2HG GLN 113 3HG GLN 113 4.454 -6.104 4.719 613 1HE2 GLN 113 1HE2 GLN 113 6.008 -9.211 3.427 614 2HE2 GLN 113 2HE2 GLN 113 4.613 -10.129 3.835 615 H GLY 114 H GLY 114 6.674 -3.175 2.747 616 1HA GLY 114 1HA GLY 114 8.661 -3.684 0.973 617 2HA GLY 114 2HA GLY 114 7.477 -2.846 -0.021 618 H VAL 115 H VAL 115 8.556 -0.866 -0.230 619 HA VAL 115 HA VAL 115 9.356 0.498 2.266 620 HB VAL 115 HB VAL 115 11.303 -0.694 1.169 621 1HG1 VAL 115 1HG1 VAL 115 11.019 1.403 -1.020 622 2HG1 VAL 115 2HG1 VAL 115 12.278 0.171 -0.864 623 3HG1 VAL 115 3HG1 VAL 115 10.612 -0.317 -1.216 624 1HG2 VAL 115 1HG2 VAL 115 11.779 1.064 2.671 625 2HG2 VAL 115 2HG2 VAL 115 12.844 1.248 1.271 626 3HG2 VAL 115 3HG2 VAL 115 11.416 2.290 1.438 627 H LEU 116 H LEU 116 9.188 2.717 2.222 628 HA LEU 116 HA LEU 116 7.310 3.867 0.363 629 1HB LEU 116 2HB LEU 116 9.162 4.951 2.451 630 2HB LEU 116 3HB LEU 116 8.350 6.066 1.341 631 HG LEU 116 HG LEU 116 6.198 5.473 2.020 632 1HD1 LEU 116 1HD1 LEU 116 7.328 3.092 3.571 633 2HD1 LEU 116 2HD1 LEU 116 5.656 3.676 3.623 634 3HD1 LEU 116 3HD1 LEU 116 6.290 2.978 2.133 635 1HD2 LEU 116 1HD2 LEU 116 7.541 6.780 3.641 636 2HD2 LEU 116 2HD2 LEU 116 6.292 5.777 4.446 637 3HD2 LEU 116 3HD2 LEU 116 7.986 5.251 4.441 638 H GLY 117 H GLY 117 7.562 5.308 -1.407 639 1HA GLY 117 1HA GLY 117 10.021 4.563 -2.932 640 2HA GLY 117 2HA GLY 117 8.443 5.030 -3.571 641 H GLU 118 H GLU 118 8.183 7.088 -4.183 642 HA GLU 118 HA GLU 118 10.286 8.981 -4.180 643 1HB GLU 118 2HB GLU 118 8.191 8.699 -5.701 644 2HB GLU 118 3HB GLU 118 7.323 9.652 -4.488 645 1HG GLU 118 2HG GLU 118 8.957 11.499 -4.830 646 2HG GLU 118 3HG GLU 118 9.810 10.510 -6.030 647 H ASP 119 H ASP 119 7.347 8.667 -2.264 648 HA ASP 119 HA ASP 119 8.184 9.583 0.236 649 1HB ASP 119 2HB ASP 119 8.579 11.790 -0.552 650 2HB ASP 119 3HB ASP 119 7.174 11.779 -1.619 651 H GLY 120 H GLY 120 5.299 10.941 -1.083 652 1HA GLY 120 1HA GLY 120 3.453 9.598 0.406 653 2HA GLY 120 2HA GLY 120 3.090 10.430 -1.107 654 H LYS 121 H LYS 121 4.807 8.462 -2.650 655 HA LYS 121 HA LYS 121 2.786 6.296 -2.921 656 1HB LYS 121 2HB LYS 121 4.960 7.444 -4.645 657 2HB LYS 121 3HB LYS 121 4.654 5.713 -4.785 658 1HG LYS 121 2HG LYS 121 3.392 7.016 -6.404 659 2HG LYS 121 3HG LYS 121 2.373 6.007 -5.345 660 1HD LYS 121 2HD LYS 121 1.563 7.906 -4.120 661 2HD LYS 121 3HD LYS 121 2.876 8.938 -4.689 662 1HE LYS 121 2HE LYS 121 0.645 9.420 -5.746 663 2HE LYS 121 3HE LYS 121 1.986 9.155 -6.869 664 1HZ LYS 121 1HZ LYS 121 1.192 6.932 -7.249 665 2HZ LYS 121 2HZ LYS 121 -0.024 7.123 -6.155 666 3HZ LYS 121 3HZ LYS 121 -0.012 8.005 -7.544 667 H LEU 122 H LEU 122 3.123 4.214 -2.352 668 HA LEU 122 HA LEU 122 5.683 3.594 -0.942 669 1HB LEU 122 2HB LEU 122 2.958 2.271 -0.650 670 2HB LEU 122 3HB LEU 122 4.459 1.843 0.169 671 HG LEU 122 HG LEU 122 4.456 4.317 1.030 672 1HD1 LEU 122 1HD1 LEU 122 2.753 5.388 -0.129 673 2HD1 LEU 122 2HD1 LEU 122 1.642 4.021 0.040 674 3HD1 LEU 122 3HD1 LEU 122 2.028 5.056 1.439 675 1HD2 LEU 122 1HD2 LEU 122 4.059 2.173 2.358 676 2HD2 LEU 122 2HD2 LEU 122 3.292 3.626 2.994 677 3HD2 LEU 122 3HD2 LEU 122 2.320 2.428 2.097 678 H ALA 123 H ALA 123 6.918 1.912 -1.637 679 HA ALA 123 HA ALA 123 6.007 0.506 -4.134 680 1HB ALA 123 1HB ALA 123 8.787 0.900 -2.985 681 2HB ALA 123 2HB ALA 123 8.380 -0.071 -4.414 682 3HB ALA 123 3HB ALA 123 8.086 1.679 -4.420 683 H ALA 124 H ALA 124 4.932 -1.347 -3.628 684 HA ALA 124 HA ALA 124 6.107 -3.137 -1.531 685 1HB ALA 124 1HB ALA 124 3.990 -2.114 -0.718 686 2HB ALA 124 2HB ALA 124 3.166 -2.768 -2.156 687 3HB ALA 124 3HB ALA 124 3.866 -3.868 -0.958 688 H THR 125 H THR 125 6.486 -5.202 -2.160 689 HA THR 125 HA THR 125 5.172 -6.155 -4.663 690 HB THR 125 HB THR 125 7.422 -5.458 -5.236 691 HG1 THR 125 1HG THR 125 6.527 -7.098 -6.438 692 1HG2 THR 125 1HG2 THR 125 8.576 -5.959 -3.087 693 2HG2 THR 125 2HG2 THR 125 8.314 -7.699 -3.358 694 3HG2 THR 125 3HG2 THR 125 9.343 -6.771 -4.464 695 H GLU 126 H GLU 126 5.258 -6.575 -1.413 696 HA GLU 126 HA GLU 126 4.918 -9.567 -1.520 697 1HB GLU 126 2HB GLU 126 6.198 -7.616 0.348 698 2HB GLU 126 3HB GLU 126 5.367 -9.008 1.060 699 1HG GLU 126 2HG GLU 126 7.262 -9.712 -1.118 700 2HG GLU 126 3HG GLU 126 7.995 -8.962 0.308 701 H VAL 127 H VAL 127 2.654 -9.173 -2.185 702 HA VAL 127 HA VAL 127 0.960 -8.013 -0.021 703 HB VAL 127 HB VAL 127 -0.897 -8.091 -1.576 704 1HG1 VAL 127 1HG1 VAL 127 -0.199 -5.994 -1.406 705 2HG1 VAL 127 2HG1 VAL 127 1.454 -6.295 -1.939 706 3HG1 VAL 127 3HG1 VAL 127 0.130 -6.196 -3.127 707 1HG2 VAL 127 1HG2 VAL 127 1.099 -9.066 -3.592 708 2HG2 VAL 127 2HG2 VAL 127 -0.498 -9.685 -3.113 709 3HG2 VAL 127 3HG2 VAL 127 -0.388 -8.197 -4.029 710 H LEU 128 H LEU 128 -0.339 -9.242 1.178 711 HA LEU 128 HA LEU 128 -0.681 -12.116 0.447 712 1HB LEU 128 2HB LEU 128 -0.612 -11.298 3.333 713 2HB LEU 128 3HB LEU 128 -0.386 -12.858 2.579 714 HG LEU 128 HG LEU 128 1.639 -12.319 3.518 715 1HD1 LEU 128 1HD1 LEU 128 2.372 -11.355 0.771 716 2HD1 LEU 128 2HD1 LEU 128 3.265 -12.344 1.907 717 3HD1 LEU 128 3HD1 LEU 128 1.860 -13.041 1.066 718 1HD2 LEU 128 1HD2 LEU 128 1.329 -9.478 2.520 719 2HD2 LEU 128 2HD2 LEU 128 1.588 -10.112 4.155 720 3HD2 LEU 128 3HD2 LEU 128 2.881 -10.164 2.941 721 H ALA 129 H ALA 129 -2.788 -12.468 0.054 722 HA ALA 129 HA ALA 129 -4.798 -10.502 0.834 723 1HB ALA 129 1HB ALA 129 -4.782 -11.409 -1.433 724 2HB ALA 129 2HB ALA 129 -4.985 -13.058 -0.805 725 3HB ALA 129 3HB ALA 129 -6.279 -11.859 -0.589 726 H LYS 130 H LYS 130 -4.726 -10.801 3.142 727 HA LYS 130 HA LYS 130 -5.210 -13.364 4.329 728 1HB LYS 130 2HB LYS 130 -5.035 -12.233 6.394 729 2HB LYS 130 3HB LYS 130 -3.932 -11.435 5.271 730 1HG LYS 130 2HG LYS 130 -6.218 -9.905 4.929 731 2HG LYS 130 3HG LYS 130 -6.437 -10.455 6.583 732 1HD LYS 130 2HD LYS 130 -3.767 -9.607 6.610 733 2HD LYS 130 3HD LYS 130 -4.484 -8.569 5.376 734 1HE LYS 130 2HE LYS 130 -4.750 -7.333 7.383 735 2HE LYS 130 3HE LYS 130 -6.342 -8.039 7.099 736 1HZ LYS 130 1HZ LYS 130 -5.651 -8.300 9.372 737 2HZ LYS 130 2HZ LYS 130 -5.716 -9.790 8.676 738 3HZ LYS 130 3HZ LYS 130 -4.263 -9.061 8.933 739 H HIS 131 H HID 131 -7.358 -12.949 2.483 740 HA HIS 131 HA HID 131 -9.749 -13.079 4.196 741 1HB HIS 131 2HB HID 131 -9.201 -11.011 2.049 742 2HB HIS 131 3HB HID 131 -10.728 -11.862 1.937 743 HD1 HIS 131 1HD HID 131 -12.040 -9.626 2.345 744 HD2 HIS 131 2HD HID 131 -9.664 -10.989 5.539 745 HE1 HIS 131 1HE HID 131 -12.691 -8.254 4.392 746 H ASP 132 H ASP 132 -11.085 -14.703 3.399 747 HA ASP 132 HA ASP 132 -10.870 -15.656 0.689 748 1HB ASP 132 2HB ASP 132 -9.035 -16.882 2.141 749 2HB ASP 132 3HB ASP 132 -10.405 -17.744 2.857 Start of MODEL 10 1 H SER 32 H SER 32 17.150 2.102 14.264 2 HA SER 32 HA SER 32 17.878 -0.663 14.208 3 1HB SER 32 2HB SER 32 16.015 0.364 16.407 4 2HB SER 32 3HB SER 32 15.964 -1.305 15.817 5 HG SER 32 HG SER 32 18.439 -0.225 16.601 6 H ASN 33 H ASN 33 15.836 -1.882 13.359 7 HA ASN 33 HA ASN 33 13.821 -0.127 12.163 8 1HB ASN 33 2HB ASN 33 15.732 -0.286 10.499 9 2HB ASN 33 3HB ASN 33 15.516 -2.043 10.495 10 1HD2 ASN 33 1HD2 ASN 33 13.880 1.083 9.823 11 2HD2 ASN 33 2HD2 ASN 33 12.700 0.413 8.713 12 H LEU 34 H LEU 34 11.863 -1.307 11.737 13 HA LEU 34 HA LEU 34 11.715 -4.135 12.554 14 1HB LEU 34 2HB LEU 34 10.263 -1.801 13.887 15 2HB LEU 34 3HB LEU 34 9.847 -3.497 14.144 16 HG LEU 34 HG LEU 34 12.574 -2.313 14.858 17 1HD1 LEU 34 1HD1 LEU 34 11.769 -2.296 17.175 18 2HD1 LEU 34 2HD1 LEU 34 10.837 -1.193 16.151 19 3HD1 LEU 34 3HD1 LEU 34 10.144 -2.761 16.624 20 1HD2 LEU 34 1HD2 LEU 34 12.569 -4.789 14.561 21 2HD2 LEU 34 2HD2 LEU 34 12.764 -4.342 16.259 22 3HD2 LEU 34 3HD2 LEU 34 11.189 -4.912 15.674 23 H ASN 35 H ASN 35 9.655 -5.056 11.847 24 HA ASN 35 HA ASN 35 8.189 -3.403 9.843 25 1HB ASN 35 2HB ASN 35 8.227 -5.155 8.242 26 2HB ASN 35 3HB ASN 35 9.888 -4.735 8.663 27 1HD2 ASN 35 1HD2 ASN 35 11.051 -6.244 10.166 28 2HD2 ASN 35 2HD2 ASN 35 10.567 -7.929 10.201 29 H LEU 36 H LEU 36 6.093 -3.316 10.406 30 HA LEU 36 HA LEU 36 4.703 -5.778 11.219 31 1HB LEU 36 2HB LEU 36 3.716 -4.807 13.160 32 2HB LEU 36 3HB LEU 36 5.458 -4.840 13.356 33 HG LEU 36 HG LEU 36 4.381 -2.283 12.219 34 1HD1 LEU 36 1HD1 LEU 36 3.573 -1.502 14.428 35 2HD1 LEU 36 2HD1 LEU 36 2.579 -2.816 13.780 36 3HD1 LEU 36 3HD1 LEU 36 3.757 -3.145 15.071 37 1HD2 LEU 36 1HD2 LEU 36 5.970 -1.303 13.800 38 2HD2 LEU 36 2HD2 LEU 36 6.259 -2.888 14.545 39 3HD2 LEU 36 3HD2 LEU 36 6.772 -2.581 12.871 40 H PHE 37 H PHE 37 2.324 -5.176 11.542 41 HA PHE 37 HA PHE 37 1.470 -3.991 9.013 42 1HB PHE 37 2HB PHE 37 -0.050 -5.494 11.173 43 2HB PHE 37 3HB PHE 37 -0.698 -5.005 9.616 44 HD1 PHE 37 1HD PHE 37 1.100 -7.631 11.359 45 HD2 PHE 37 2HD PHE 37 0.487 -5.856 7.483 46 HE1 PHE 37 1HE PHE 37 1.971 -9.684 10.284 47 HE2 PHE 37 2HE PHE 37 1.334 -7.930 6.401 48 HZ PHE 37 HZ PHE 37 2.090 -9.839 7.795 49 H TYR 38 H TYR 38 0.688 -1.976 8.844 50 HA TYR 38 HA TYR 38 -0.342 -0.584 11.263 51 1HB TYR 38 2HB TYR 38 2.063 -0.016 9.725 52 2HB TYR 38 3HB TYR 38 0.921 1.293 9.502 53 HD1 TYR 38 HD1 TYR 38 3.365 -0.123 11.738 54 HD2 TYR 38 HD2 TYR 38 -0.159 2.362 11.594 55 HE1 TYR 38 HE1 TYR 38 3.968 0.880 13.931 56 HE2 TYR 38 HE2 TYR 38 0.388 3.259 13.827 57 HH TYR 38 HH TYR 38 1.912 3.348 15.506 58 H THR 39 H THR 39 -1.891 0.959 10.922 59 HA THR 39 HA THR 39 -3.741 0.406 8.834 60 HB THR 39 HB THR 39 -3.573 2.271 11.223 61 HG1 THR 39 1HG THR 39 -5.349 0.794 11.776 62 1HG2 THR 39 1HG2 THR 39 -4.899 3.497 9.728 63 2HG2 THR 39 2HG2 THR 39 -5.899 2.088 9.277 64 3HG2 THR 39 3HG2 THR 39 -5.975 2.773 10.917 65 HA PRO 40 HA PRO 40 -2.126 3.339 5.939 66 1HB PRO 40 2HB PRO 40 -4.325 3.853 4.334 67 2HB PRO 40 3HB PRO 40 -3.248 2.442 4.225 68 1HG PRO 40 2HG PRO 40 -5.888 2.643 5.675 69 2HG PRO 40 3HG PRO 40 -5.312 1.355 4.589 70 1HD PRO 40 2HD PRO 40 -5.174 1.067 7.269 71 2HD PRO 40 3HD PRO 40 -3.790 0.546 6.259 72 H SER 41 H SER 41 -5.145 4.276 7.724 73 HA SER 41 HA SER 41 -4.941 7.041 7.064 74 1HB SER 41 2HB SER 41 -6.354 7.330 9.158 75 2HB SER 41 3HB SER 41 -7.006 6.372 7.819 76 HG SER 41 HG SER 41 -7.369 5.052 9.436 77 H GLU 42 H GLU 42 -2.912 5.116 9.144 78 HA GLU 42 HA GLU 42 -1.808 7.615 10.319 79 1HB GLU 42 2HB GLU 42 -2.439 5.626 11.783 80 2HB GLU 42 3HB GLU 42 -1.022 4.803 11.106 81 1HG GLU 42 2HG GLU 42 0.416 6.632 11.906 82 2HG GLU 42 3HG GLU 42 -1.001 7.558 12.454 83 H ILE 43 H ILE 43 -1.491 6.283 7.410 84 HA ILE 43 HA ILE 43 1.239 7.390 7.323 85 HB ILE 43 HB ILE 43 1.745 5.860 5.353 86 1HG1 ILE 43 2HG1 ILE 43 -0.202 4.064 6.847 87 2HG1 ILE 43 3HG1 ILE 43 -0.556 4.862 5.288 88 1HG2 ILE 43 1HG2 ILE 43 1.762 4.684 8.162 89 2HG2 ILE 43 2HG2 ILE 43 2.902 4.355 6.841 90 3HG2 ILE 43 3HG2 ILE 43 2.883 5.937 7.595 91 1HD1 ILE 43 1HD1 ILE 43 1.706 2.862 5.737 92 2HD1 ILE 43 2HD1 ILE 43 0.136 2.532 5.007 93 3HD1 ILE 43 3HD1 ILE 43 1.245 3.652 4.205 94 H VAL 44 H VAL 44 -1.225 8.710 7.178 95 HA VAL 44 HA VAL 44 -0.442 10.096 4.666 96 HB VAL 44 HB VAL 44 -2.457 9.233 4.025 97 1HG1 VAL 44 1HG1 VAL 44 -3.444 8.450 6.085 98 2HG1 VAL 44 2HG1 VAL 44 -3.873 10.102 6.566 99 3HG1 VAL 44 3HG1 VAL 44 -4.588 9.401 5.127 100 1HG2 VAL 44 1HG2 VAL 44 -3.104 12.062 4.933 101 2HG2 VAL 44 2HG2 VAL 44 -2.164 11.614 3.491 102 3HG2 VAL 44 3HG2 VAL 44 -3.865 11.149 3.620 103 H ASN 45 H ASN 45 -2.504 10.964 7.441 104 HA ASN 45 HA ASN 45 -1.801 13.668 7.190 105 1HB ASN 45 2HB ASN 45 -3.198 12.227 9.487 106 2HB ASN 45 3HB ASN 45 -3.168 13.973 9.222 107 1HD2 ASN 45 1HD2 ASN 45 -5.010 11.191 8.705 108 2HD2 ASN 45 2HD2 ASN 45 -6.006 11.818 7.405 109 H GLY 46 H GLY 46 0.335 14.190 7.562 110 1HA GLY 46 1HA GLY 46 2.113 14.891 8.915 111 2HA GLY 46 2HA GLY 46 1.145 14.512 10.347 112 H LYS 47 H LYS 47 1.988 12.406 7.607 113 HA LYS 47 HA LYS 47 3.724 10.725 9.271 114 1HB LYS 47 2HB LYS 47 1.149 9.752 8.000 115 2HB LYS 47 3HB LYS 47 2.429 8.689 8.623 116 1HG LYS 47 2HG LYS 47 1.049 10.730 10.408 117 2HG LYS 47 3HG LYS 47 0.372 9.157 10.111 118 1HD LYS 47 2HD LYS 47 2.232 8.011 11.073 119 2HD LYS 47 3HD LYS 47 3.209 9.488 11.157 120 1HE LYS 47 2HE LYS 47 2.077 10.370 12.951 121 2HE LYS 47 3HE LYS 47 0.553 9.559 12.577 122 1HZ LYS 47 1HZ LYS 47 1.315 7.560 13.535 123 2HZ LYS 47 2HZ LYS 47 2.871 8.060 13.606 124 3HZ LYS 47 3HZ LYS 47 1.708 8.714 14.567 125 H THR 48 H THR 48 2.504 9.229 6.374 126 HA THR 48 HA THR 48 5.094 9.601 5.145 127 HB THR 48 HB THR 48 2.628 8.173 4.120 128 HG1 THR 48 1HG THR 48 4.923 7.259 5.520 129 1HG2 THR 48 1HG2 THR 48 5.514 8.079 3.208 130 2HG2 THR 48 2HG2 THR 48 4.274 6.867 2.787 131 3HG2 THR 48 3HG2 THR 48 4.088 8.542 2.267 132 H ASP 49 H ASP 49 1.734 10.612 4.219 133 HA ASP 49 HA ASP 49 2.405 11.769 1.730 134 1HB ASP 49 2HB ASP 49 0.094 11.405 2.418 135 2HB ASP 49 3HB ASP 49 0.267 12.565 3.754 136 H THR 50 H THR 50 2.170 13.291 4.952 137 HA THR 50 HA THR 50 3.410 15.740 4.166 138 HB THR 50 HB THR 50 3.428 14.695 6.991 139 HG1 THR 50 1HG THR 50 1.169 15.252 5.394 140 1HG2 THR 50 1HG2 THR 50 2.746 17.003 7.501 141 2HG2 THR 50 2HG2 THR 50 4.174 17.039 6.445 142 3HG2 THR 50 3HG2 THR 50 2.569 17.365 5.771 143 H GLY 51 H GLY 51 4.699 12.656 5.431 144 1HA GLY 51 1HA GLY 51 6.779 11.784 5.327 145 2HA GLY 51 2HA GLY 51 7.313 13.200 4.416 146 H VAL 52 H VAL 52 5.917 13.021 7.722 147 HA VAL 52 HA VAL 52 8.275 14.647 8.631 148 HB VAL 52 HB VAL 52 6.961 15.407 10.463 149 1HG1 VAL 52 1HG1 VAL 52 5.425 15.570 7.845 150 2HG1 VAL 52 2HG1 VAL 52 5.306 16.702 9.205 151 3HG1 VAL 52 3HG1 VAL 52 6.818 16.570 8.289 152 1HG2 VAL 52 1HG2 VAL 52 4.812 13.540 9.422 153 2HG2 VAL 52 2HG2 VAL 52 5.553 13.531 11.038 154 3HG2 VAL 52 3HG2 VAL 52 4.501 14.866 10.563 155 H LYS 53 H LYS 53 6.535 11.721 9.589 156 HA LYS 53 HA LYS 53 8.677 11.129 11.594 157 1HB LYS 53 2HB LYS 53 5.723 10.755 11.602 158 2HB LYS 53 3HB LYS 53 6.669 9.469 12.340 159 1HG LYS 53 2HG LYS 53 6.938 12.425 13.034 160 2HG LYS 53 3HG LYS 53 5.855 11.317 13.870 161 1HD LYS 53 2HD LYS 53 8.906 11.180 13.822 162 2HD LYS 53 3HD LYS 53 7.857 11.627 15.168 163 1HE LYS 53 2HE LYS 53 6.852 9.279 15.066 164 2HE LYS 53 3HE LYS 53 8.110 8.860 13.886 165 1HZ LYS 53 1HZ LYS 53 9.763 9.386 15.527 166 2HZ LYS 53 2HZ LYS 53 8.603 9.740 16.644 167 3HZ LYS 53 3HZ LYS 53 8.746 8.212 16.060 168 HA PRO 54 HA PRO 54 8.522 7.011 9.367 169 1HB PRO 54 2HB PRO 54 6.599 6.225 7.654 170 2HB PRO 54 3HB PRO 54 6.345 6.206 9.421 171 1HG PRO 54 2HG PRO 54 5.487 8.357 7.468 172 2HG PRO 54 3HG PRO 54 4.492 7.546 8.712 173 1HD PRO 54 2HD PRO 54 5.745 9.964 9.107 174 2HD PRO 54 3HD PRO 54 5.491 8.779 10.432 175 H GLU 55 H GLU 55 10.195 8.548 8.527 176 HA GLU 55 HA GLU 55 10.094 9.847 6.034 177 1HB GLU 55 2HB GLU 55 12.437 8.472 7.442 178 2HB GLU 55 3HB GLU 55 12.576 9.562 6.058 179 1HG GLU 55 2HG GLU 55 11.555 11.397 7.377 180 2HG GLU 55 3HG GLU 55 11.453 10.333 8.792 181 H ALA 56 H ALA 56 10.472 9.160 3.959 182 HA ALA 56 HA ALA 56 9.815 6.479 3.305 183 1HB ALA 56 1HB ALA 56 9.692 7.265 1.134 184 2HB ALA 56 2HB ALA 56 9.679 8.804 1.964 185 3HB ALA 56 3HB ALA 56 11.197 8.204 1.270 186 H GLY 57 H GLY 57 11.220 4.823 2.319 187 1HA GLY 57 1HA GLY 57 13.386 3.896 1.971 188 2HA GLY 57 2HA GLY 57 14.067 4.944 3.219 189 H GLN 58 H GLN 58 11.138 4.037 4.496 190 HA GLN 58 HA GLN 58 12.466 1.980 6.177 191 1HB GLN 58 2HB GLN 58 10.136 3.884 6.595 192 2HB GLN 58 3HB GLN 58 10.466 2.550 7.704 193 1HG GLN 58 2HG GLN 58 12.774 3.345 8.053 194 2HG GLN 58 3HG GLN 58 12.473 4.722 6.984 195 1HE2 GLN 58 1HE2 GLN 58 10.847 6.310 7.654 196 2HE2 GLN 58 2HE2 GLN 58 10.608 6.545 9.393 197 H ARG 59 H ARG 59 11.639 -0.031 6.454 198 HA ARG 59 HA ARG 59 9.674 -0.981 4.483 199 1HB ARG 59 2HB ARG 59 11.596 -2.331 6.427 200 2HB ARG 59 3HB ARG 59 10.347 -3.238 5.583 201 1HG ARG 59 2HG ARG 59 11.998 -1.549 3.784 202 2HG ARG 59 3HG ARG 59 12.911 -2.794 4.646 203 1HD ARG 59 2HD ARG 59 11.446 -4.561 3.862 204 2HD ARG 59 3HD ARG 59 10.349 -3.376 3.114 205 HE ARG 59 HE ARG 59 12.969 -3.062 2.042 206 1HH1 ARG 59 2HH2 ARG 59 10.288 -5.372 1.955 207 2HH1 ARG 59 1HH2 ARG 59 10.505 -5.870 0.324 208 1HH2 ARG 59 1HH1 ARG 59 13.339 -3.677 -0.147 209 2HH2 ARG 59 2HH1 ARG 59 12.343 -4.880 -0.903 210 H ILE 60 H ILE 60 7.556 -1.136 5.091 211 HA ILE 60 HA ILE 60 6.871 -2.092 7.763 212 HB ILE 60 HB ILE 60 5.077 -0.412 8.086 213 1HG1 ILE 60 2HG1 ILE 60 6.508 1.501 6.265 214 2HG1 ILE 60 3HG1 ILE 60 5.320 0.396 5.556 215 1HG2 ILE 60 1HG2 ILE 60 7.847 0.837 8.122 216 2HG2 ILE 60 2HG2 ILE 60 6.443 1.321 9.086 217 3HG2 ILE 60 3HG2 ILE 60 7.187 -0.264 9.351 218 1HD1 ILE 60 1HD1 ILE 60 4.264 2.523 6.136 219 2HD1 ILE 60 2HD1 ILE 60 3.577 1.194 7.083 220 3HD1 ILE 60 3HD1 ILE 60 4.728 2.324 7.835 221 H ARG 61 H ARG 61 4.296 -2.450 7.751 222 HA ARG 61 HA ARG 61 3.618 -3.386 5.019 223 1HB ARG 61 2HB ARG 61 2.861 -4.735 7.606 224 2HB ARG 61 3HB ARG 61 2.706 -5.339 5.954 225 1HG ARG 61 2HG ARG 61 5.230 -5.180 5.783 226 2HG ARG 61 3HG ARG 61 5.320 -4.783 7.493 227 1HD ARG 61 2HD ARG 61 3.801 -7.263 6.815 228 2HD ARG 61 3HD ARG 61 5.561 -7.261 6.516 229 HE ARG 61 HE ARG 61 5.146 -6.234 9.101 230 1HH1 ARG 61 2HH2 ARG 61 4.740 -9.243 7.297 231 2HH1 ARG 61 1HH2 ARG 61 5.249 -10.276 8.603 232 1HH2 ARG 61 1HH1 ARG 61 6.193 -7.562 10.710 233 2HH2 ARG 61 2HH1 ARG 61 5.908 -9.275 10.687 234 H VAL 62 H VAL 62 1.949 -2.346 4.221 235 HA VAL 62 HA VAL 62 0.250 -0.689 6.039 236 HB VAL 62 HB VAL 62 0.983 0.503 4.124 237 1HG1 VAL 62 1HG1 VAL 62 0.399 -0.052 1.822 238 2HG1 VAL 62 2HG1 VAL 62 1.434 -1.307 2.505 239 3HG1 VAL 62 3HG1 VAL 62 -0.324 -1.579 2.342 240 1HG2 VAL 62 1HG2 VAL 62 -1.394 0.795 4.964 241 2HG2 VAL 62 2HG2 VAL 62 -1.153 1.267 3.267 242 3HG2 VAL 62 3HG2 VAL 62 -1.937 -0.271 3.657 243 H GLY 63 H GLY 63 -1.710 -1.490 6.737 244 1HA GLY 63 1HA GLY 63 -2.893 -3.795 5.229 245 2HA GLY 63 2HA GLY 63 -2.696 -3.805 6.976 246 H GLY 64 H GLY 64 -4.836 -3.215 4.434 247 1HA GLY 64 1HA GLY 64 -6.819 -1.865 6.011 248 2HA GLY 64 2HA GLY 64 -5.981 -0.718 4.946 249 H MET 65 H MET 65 -8.269 -0.584 4.095 250 HA MET 65 HA MET 65 -9.201 -2.937 2.571 251 1HB MET 65 2HB MET 65 -11.350 -1.916 2.497 252 2HB MET 65 3HB MET 65 -10.754 -2.145 4.132 253 1HG MET 65 2HG MET 65 -9.934 0.470 3.547 254 2HG MET 65 3HG MET 65 -11.442 0.320 2.669 255 1HE MET 65 1HE MET 65 -9.625 0.063 6.098 256 2HE MET 65 2HE MET 65 -10.962 -0.067 7.251 257 3HE MET 65 3HE MET 65 -10.568 -1.438 6.210 258 H VAL 66 H VAL 66 -9.262 -3.095 0.452 259 HA VAL 66 HA VAL 66 -8.448 -0.675 -1.096 260 HB VAL 66 HB VAL 66 -8.517 -3.516 -2.133 261 1HG1 VAL 66 1HG1 VAL 66 -7.337 -0.839 -3.013 262 2HG1 VAL 66 2HG1 VAL 66 -6.801 -2.342 -3.718 263 3HG1 VAL 66 3HG1 VAL 66 -8.493 -1.858 -3.895 264 1HG2 VAL 66 1HG2 VAL 66 -6.248 -2.031 -0.760 265 2HG2 VAL 66 2HG2 VAL 66 -6.949 -3.594 -0.304 266 3HG2 VAL 66 3HG2 VAL 66 -6.012 -3.449 -1.797 267 H THR 67 H THR 67 -9.746 0.202 -2.567 268 HA THR 67 HA THR 67 -12.399 0.345 -2.392 269 HB THR 67 HB THR 67 -10.761 0.645 -4.927 270 HG1 THR 67 1HG THR 67 -10.846 2.293 -2.645 271 1HG2 THR 67 1HG2 THR 67 -12.109 2.864 -4.999 272 2HG2 THR 67 2HG2 THR 67 -12.914 1.385 -5.495 273 3HG2 THR 67 3HG2 THR 67 -13.233 2.069 -3.878 274 H VAL 68 H VAL 68 -11.420 -1.134 -5.505 275 HA VAL 68 HA VAL 68 -12.756 -3.490 -5.391 276 HB VAL 68 HB VAL 68 -14.870 -2.380 -4.850 277 1HG1 VAL 68 1HG1 VAL 68 -14.440 -0.123 -5.720 278 2HG1 VAL 68 2HG1 VAL 68 -14.507 -0.728 -7.390 279 3HG1 VAL 68 3HG1 VAL 68 -15.946 -0.786 -6.357 280 1HG2 VAL 68 1HG2 VAL 68 -16.231 -3.271 -6.511 281 2HG2 VAL 68 2HG2 VAL 68 -14.930 -3.219 -7.727 282 3HG2 VAL 68 3HG2 VAL 68 -14.802 -4.316 -6.323 283 H GLY 69 H GLY 69 -12.119 -0.553 -7.290 284 1HA GLY 69 1HA GLY 69 -10.696 -2.154 -9.304 285 2HA GLY 69 2HA GLY 69 -12.115 -1.261 -9.880 286 H SER 70 H SER 70 -9.729 -0.424 -7.353 287 HA SER 70 HA SER 70 -9.285 2.234 -8.650 288 1HB SER 70 2HB SER 70 -8.312 1.137 -5.982 289 2HB SER 70 3HB SER 70 -7.906 2.728 -6.663 290 HG SER 70 HG SER 70 -9.769 2.581 -5.186 291 H MET 71 H MET 71 -7.906 -0.930 -8.747 292 HA MET 71 HA MET 71 -5.188 -0.075 -8.961 293 1HB MET 71 2HB MET 71 -4.657 -2.262 -9.607 294 2HB MET 71 3HB MET 71 -5.881 -2.360 -8.327 295 1HG MET 71 2HG MET 71 -7.625 -2.691 -10.155 296 2HG MET 71 3HG MET 71 -6.285 -2.829 -11.302 297 1HE MET 71 1HE MET 71 -4.271 -4.625 -10.878 298 2HE MET 71 2HE MET 71 -4.247 -4.434 -9.102 299 3HE MET 71 3HE MET 71 -4.470 -6.043 -9.817 300 H VAL 72 H VAL 72 -4.017 0.630 -10.662 301 HA VAL 72 HA VAL 72 -5.223 0.548 -13.385 302 HB VAL 72 HB VAL 72 -4.060 2.621 -13.928 303 1HG1 VAL 72 1HG1 VAL 72 -5.643 4.136 -12.848 304 2HG1 VAL 72 2HG1 VAL 72 -6.457 2.618 -13.264 305 3HG1 VAL 72 3HG1 VAL 72 -5.985 2.941 -11.582 306 1HG2 VAL 72 1HG2 VAL 72 -3.500 2.863 -10.943 307 2HG2 VAL 72 2HG2 VAL 72 -2.295 2.731 -12.255 308 3HG2 VAL 72 3HG2 VAL 72 -3.320 4.163 -12.135 309 H ARG 73 H ARG 73 -4.036 -0.593 -14.749 310 HA ARG 73 HA ARG 73 -1.390 -1.562 -13.830 311 1HB ARG 73 2HB ARG 73 -1.707 -3.424 -15.321 312 2HB ARG 73 3HB ARG 73 -3.060 -3.335 -14.182 313 1HG ARG 73 2HG ARG 73 -4.589 -2.615 -15.850 314 2HG ARG 73 3HG ARG 73 -3.296 -2.192 -16.989 315 1HD ARG 73 2HD ARG 73 -2.586 -4.555 -17.069 316 2HD ARG 73 3HD ARG 73 -4.024 -5.006 -16.115 317 HE ARG 73 HE ARG 73 -5.132 -3.581 -18.133 318 1HH1 ARG 73 2HH2 ARG 73 -2.848 -6.276 -18.172 319 2HH1 ARG 73 1HH2 ARG 73 -3.177 -6.752 -19.804 320 1HH2 ARG 73 1HH1 ARG 73 -5.624 -4.205 -20.301 321 2HH2 ARG 73 2HH1 ARG 73 -4.845 -5.576 -21.020 322 H ASP 74 H ASP 74 0.402 -1.497 -15.199 323 HA ASP 74 HA ASP 74 0.245 0.437 -17.429 324 1HB ASP 74 2HB ASP 74 2.436 -1.000 -15.934 325 2HB ASP 74 3HB ASP 74 2.752 -0.428 -17.575 326 HA PRO 75 HA PRO 75 -0.082 -2.856 -20.432 327 1HB PRO 75 2HB PRO 75 1.040 -1.717 -22.681 328 2HB PRO 75 3HB PRO 75 -0.512 -1.126 -22.016 329 1HG PRO 75 2HG PRO 75 2.265 -0.010 -21.489 330 2HG PRO 75 3HG PRO 75 0.810 0.894 -21.999 331 1HD PRO 75 2HD PRO 75 1.552 0.758 -19.388 332 2HD PRO 75 3HD PRO 75 -0.174 0.685 -19.840 333 H ASN 76 H ASN 76 2.981 -1.497 -19.555 334 HA ASN 76 HA ASN 76 4.799 -3.428 -20.433 335 1HB ASN 76 2HB ASN 76 4.521 -2.484 -17.545 336 2HB ASN 76 3HB ASN 76 5.973 -3.087 -18.367 337 1HD2 ASN 76 1HD2 ASN 76 4.938 -0.321 -17.087 338 2HD2 ASN 76 2HD2 ASN 76 5.527 0.813 -18.273 339 H SER 77 H SER 77 2.164 -3.674 -18.051 340 HA SER 77 HA SER 77 1.020 -5.370 -17.188 341 1HB SER 77 2HB SER 77 2.538 -7.253 -19.046 342 2HB SER 77 3HB SER 77 1.044 -7.578 -18.172 343 HG SER 77 HG SER 77 1.410 -5.556 -20.160 344 H LEU 78 H LEU 78 3.992 -4.675 -16.499 345 HA LEU 78 HA LEU 78 4.344 -6.728 -14.389 346 1HB LEU 78 2HB LEU 78 6.789 -6.352 -14.666 347 2HB LEU 78 3HB LEU 78 5.940 -7.262 -15.912 348 HG LEU 78 HG LEU 78 5.839 -5.164 -17.330 349 1HD1 LEU 78 1HD1 LEU 78 7.526 -3.394 -16.730 350 2HD1 LEU 78 2HD1 LEU 78 6.076 -3.456 -15.715 351 3HD1 LEU 78 3HD1 LEU 78 7.613 -4.131 -15.110 352 1HD2 LEU 78 1HD2 LEU 78 8.097 -5.355 -18.114 353 2HD2 LEU 78 2HD2 LEU 78 8.540 -6.277 -16.643 354 3HD2 LEU 78 3HD2 LEU 78 7.340 -6.923 -17.792 355 H HIS 79 H HID 79 2.985 -3.965 -14.636 356 HA HIS 79 HA HID 79 3.868 -3.069 -12.016 357 1HB HIS 79 2HB HID 79 4.069 -1.405 -14.530 358 2HB HIS 79 3HB HID 79 3.563 -0.647 -13.024 359 HD1 HIS 79 1HD HID 79 5.451 -1.595 -10.878 360 HD2 HIS 79 2HD HID 79 6.560 -0.976 -14.900 361 HE1 HIS 79 1HE HID 79 7.966 -1.099 -10.883 362 H VAL 80 H VAL 80 2.174 -2.657 -10.837 363 HA VAL 80 HA VAL 80 -0.424 -1.862 -11.976 364 HB VAL 80 HB VAL 80 -1.450 -3.703 -10.451 365 1HG1 VAL 80 1HG1 VAL 80 -2.135 -4.448 -12.401 366 2HG1 VAL 80 2HG1 VAL 80 -0.731 -3.750 -13.237 367 3HG1 VAL 80 3HG1 VAL 80 -0.644 -5.383 -12.594 368 1HG2 VAL 80 1HG2 VAL 80 -0.226 -5.832 -10.446 369 2HG2 VAL 80 2HG2 VAL 80 1.245 -5.044 -11.022 370 3HG2 VAL 80 3HG2 VAL 80 0.559 -4.621 -9.438 371 H GLN 81 H GLN 81 -0.893 -0.074 -10.857 372 HA GLN 81 HA GLN 81 -0.022 -0.009 -7.968 373 1HB GLN 81 2HB GLN 81 0.200 2.354 -8.090 374 2HB GLN 81 3HB GLN 81 1.246 1.582 -9.297 375 1HG GLN 81 2HG GLN 81 -0.390 2.111 -11.064 376 2HG GLN 81 3HG GLN 81 -1.466 2.831 -9.840 377 1HE2 GLN 81 1HE2 GLN 81 -1.401 4.838 -11.093 378 2HE2 GLN 81 2HE2 GLN 81 0.009 5.872 -10.942 379 H PHE 82 H PHE 82 -1.509 0.888 -6.449 380 HA PHE 82 HA PHE 82 -4.302 1.233 -7.367 381 1HB PHE 82 2HB PHE 82 -5.122 -0.622 -6.032 382 2HB PHE 82 3HB PHE 82 -4.032 -1.196 -7.282 383 HD1 PHE 82 1HD PHE 82 -1.668 -1.926 -6.707 384 HD2 PHE 82 2HD PHE 82 -4.674 -1.101 -3.718 385 HE1 PHE 82 1HE PHE 82 -0.463 -3.358 -5.094 386 HE2 PHE 82 2HE PHE 82 -3.490 -2.588 -2.130 387 HZ PHE 82 HZ PHE 82 -1.395 -3.727 -2.809 388 H ALA 83 H ALA 83 -5.598 2.281 -5.990 389 HA ALA 83 HA ALA 83 -4.283 3.635 -3.749 390 1HB ALA 83 1HB ALA 83 -7.076 4.014 -4.875 391 2HB ALA 83 2HB ALA 83 -6.266 5.028 -3.667 392 3HB ALA 83 3HB ALA 83 -5.635 4.959 -5.324 393 H VAL 84 H VAL 84 -4.747 3.258 -1.647 394 HA VAL 84 HA VAL 84 -6.729 1.156 -0.880 395 HB VAL 84 HB VAL 84 -4.075 1.862 0.465 396 1HG1 VAL 84 1HG1 VAL 84 -6.030 -0.423 0.976 397 2HG1 VAL 84 2HG1 VAL 84 -4.458 -0.210 1.764 398 3HG1 VAL 84 3HG1 VAL 84 -5.744 0.961 2.052 399 1HG2 VAL 84 1HG2 VAL 84 -3.368 -0.436 -0.340 400 2HG2 VAL 84 2HG2 VAL 84 -4.810 -0.442 -1.376 401 3HG2 VAL 84 3HG2 VAL 84 -3.538 0.761 -1.630 402 H HIS 85 H HID 85 -7.830 1.677 1.182 403 HA HIS 85 HA HID 85 -7.568 4.481 2.093 404 1HB HIS 85 2HB HID 85 -9.941 4.889 2.012 405 2HB HIS 85 3HB HID 85 -9.300 4.578 0.408 406 HD1 HIS 85 1HD HID 85 -12.251 3.752 2.282 407 HD2 HIS 85 2HD HID 85 -9.629 1.770 -0.333 408 HE1 HIS 85 1HE HID 85 -13.602 1.900 1.149 409 H ASP 86 H ASP 86 -9.479 4.580 4.012 410 HA ASP 86 HA ASP 86 -9.017 2.207 5.689 411 1HB ASP 86 2HB ASP 86 -7.439 4.092 6.384 412 2HB ASP 86 3HB ASP 86 -8.880 5.107 6.626 413 H SER 87 H SER 87 -10.493 2.311 7.605 414 HA SER 87 HA SER 87 -13.265 2.806 7.141 415 1HB SER 87 2HB SER 87 -11.608 2.840 9.710 416 2HB SER 87 3HB SER 87 -13.382 2.800 9.630 417 HG SER 87 HG SER 87 -13.098 0.831 8.352 418 H LEU 88 H LEU 88 -10.603 4.941 8.483 419 HA LEU 88 HA LEU 88 -12.534 7.151 8.622 420 1HB LEU 88 2HB LEU 88 -9.558 6.931 9.193 421 2HB LEU 88 3HB LEU 88 -10.401 8.474 9.155 422 HG LEU 88 HG LEU 88 -10.099 7.668 11.410 423 1HD1 LEU 88 1HD1 LEU 88 -12.050 9.112 10.831 424 2HD1 LEU 88 2HD1 LEU 88 -13.065 7.655 10.726 425 3HD1 LEU 88 3HD1 LEU 88 -12.304 8.096 12.261 426 1HD2 LEU 88 1HD2 LEU 88 -12.010 5.378 10.811 427 2HD2 LEU 88 2HD2 LEU 88 -10.247 5.216 11.012 428 3HD2 LEU 88 3HD2 LEU 88 -11.251 5.779 12.357 429 H GLY 89 H GLY 89 -9.365 7.129 6.978 430 1HA GLY 89 1HA GLY 89 -10.388 7.626 4.358 431 2HA GLY 89 2HA GLY 89 -10.146 9.180 5.182 432 H GLY 90 H GLY 90 -8.338 6.064 5.148 433 1HA GLY 90 1HA GLY 90 -5.775 7.499 5.121 434 2HA GLY 90 2HA GLY 90 -6.044 5.748 5.257 435 H GLU 91 H GLU 91 -6.941 8.290 2.877 436 HA GLU 91 HA GLU 91 -6.809 6.439 0.708 437 1HB GLU 91 2HB GLU 91 -8.201 8.544 0.806 438 2HB GLU 91 3HB GLU 91 -6.723 9.475 0.501 439 1HG GLU 91 2HG GLU 91 -6.397 8.191 -1.623 440 2HG GLU 91 3HG GLU 91 -7.889 7.287 -1.292 441 H ILE 92 H ILE 92 -4.874 5.548 0.038 442 HA ILE 92 HA ILE 92 -2.554 7.314 -0.384 443 HB ILE 92 HB ILE 92 -2.842 5.619 1.913 444 1HG1 ILE 92 2HG1 ILE 92 -1.707 7.706 2.014 445 2HG1 ILE 92 3HG1 ILE 92 -0.645 6.404 2.549 446 1HG2 ILE 92 1HG2 ILE 92 -0.687 4.485 0.115 447 2HG2 ILE 92 2HG2 ILE 92 -0.941 4.129 1.832 448 3HG2 ILE 92 3HG2 ILE 92 -2.174 3.677 0.651 449 1HD1 ILE 92 1HD1 ILE 92 -0.484 7.947 -0.077 450 2HD1 ILE 92 2HD1 ILE 92 0.667 7.916 1.258 451 3HD1 ILE 92 3HD1 ILE 92 0.460 6.480 0.246 452 H LEU 93 H LEU 93 -0.916 6.298 -1.784 453 HA LEU 93 HA LEU 93 -2.208 4.358 -3.662 454 1HB LEU 93 2HB LEU 93 -0.740 6.899 -4.043 455 2HB LEU 93 3HB LEU 93 -0.226 5.580 -5.112 456 HG LEU 93 HG LEU 93 -3.154 6.286 -4.842 457 1HD1 LEU 93 1HD1 LEU 93 -2.856 7.703 -6.865 458 2HD1 LEU 93 2HD1 LEU 93 -1.982 8.364 -5.474 459 3HD1 LEU 93 3HD1 LEU 93 -1.096 7.498 -6.748 460 1HD2 LEU 93 1HD2 LEU 93 -3.218 5.257 -7.093 461 2HD2 LEU 93 2HD2 LEU 93 -1.451 5.074 -7.080 462 3HD2 LEU 93 3HD2 LEU 93 -2.449 4.128 -5.961 463 H VAL 94 H VAL 94 -1.304 2.434 -3.816 464 HA VAL 94 HA VAL 94 1.468 1.999 -2.786 465 HB VAL 94 HB VAL 94 -0.866 0.065 -3.115 466 1HG1 VAL 94 1HG1 VAL 94 1.323 -1.058 -3.359 467 2HG1 VAL 94 2HG1 VAL 94 1.897 -0.289 -1.863 468 3HG1 VAL 94 3HG1 VAL 94 0.580 -1.480 -1.812 469 1HG2 VAL 94 1HG2 VAL 94 0.333 1.336 -0.612 470 2HG2 VAL 94 2HG2 VAL 94 -1.292 1.640 -1.258 471 3HG2 VAL 94 3HG2 VAL 94 -0.883 0.042 -0.626 472 H THR 95 H THR 95 2.973 1.279 -4.263 473 HA THR 95 HA THR 95 2.049 0.751 -7.057 474 HB THR 95 HB THR 95 4.327 1.392 -7.724 475 HG1 THR 95 1HG THR 95 4.624 2.151 -4.998 476 1HG2 THR 95 1HG2 THR 95 4.118 3.803 -7.364 477 2HG2 THR 95 2HG2 THR 95 2.534 3.107 -7.728 478 3HG2 THR 95 3HG2 THR 95 2.948 3.553 -6.058 479 H TYR 96 H TYR 96 2.772 -1.131 -8.078 480 HA TYR 96 HA TYR 96 4.339 -3.084 -6.512 481 1HB TYR 96 2HB TYR 96 1.621 -3.230 -6.450 482 2HB TYR 96 3HB TYR 96 1.887 -3.837 -8.052 483 HD1 TYR 96 HD1 TYR 96 2.097 -4.685 -4.498 484 HD2 TYR 96 HD2 TYR 96 2.903 -5.954 -8.518 485 HE1 TYR 96 HE1 TYR 96 2.393 -7.031 -3.719 486 HE2 TYR 96 HE2 TYR 96 3.157 -8.293 -7.747 487 HH TYR 96 HH TYR 96 3.560 -9.291 -4.747 488 H ASP 97 H ASP 97 4.970 -5.004 -8.046 489 HA ASP 97 HA ASP 97 5.169 -4.334 -10.785 490 1HB ASP 97 2HB ASP 97 7.701 -5.055 -10.471 491 2HB ASP 97 3HB ASP 97 7.215 -3.381 -10.228 492 H ASP 98 H ASP 98 5.660 -6.086 -11.866 493 HA ASP 98 HA ASP 98 5.290 -8.159 -12.742 494 1HB ASP 98 2HB ASP 98 6.384 -9.050 -10.055 495 2HB ASP 98 3HB ASP 98 6.049 -10.109 -11.426 496 H LEU 99 H LEU 99 3.031 -7.490 -12.786 497 HA LEU 99 HA LEU 99 0.824 -7.651 -12.384 498 1HB LEU 99 2HB LEU 99 1.631 -10.585 -12.295 499 2HB LEU 99 3HB LEU 99 -0.042 -10.022 -12.394 500 HG LEU 99 HG LEU 99 0.952 -8.587 -14.432 501 1HD1 LEU 99 1HD1 LEU 99 2.314 -10.095 -15.833 502 2HD1 LEU 99 2HD1 LEU 99 3.183 -9.713 -14.338 503 3HD1 LEU 99 3HD1 LEU 99 2.380 -11.288 -14.520 504 1HD2 LEU 99 1HD2 LEU 99 -0.150 -10.231 -15.878 505 2HD2 LEU 99 2HD2 LEU 99 -0.186 -11.398 -14.536 506 3HD2 LEU 99 3HD2 LEU 99 -1.107 -9.879 -14.434 507 H LEU 100 H LEU 100 -0.435 -9.811 -10.516 508 HA LEU 100 HA LEU 100 0.497 -9.057 -7.898 509 1HB LEU 100 2HB LEU 100 -2.006 -7.971 -9.257 510 2HB LEU 100 3HB LEU 100 -2.197 -8.491 -7.593 511 HG LEU 100 HG LEU 100 -0.046 -6.489 -8.339 512 1HD1 LEU 100 1HD1 LEU 100 -2.153 -5.572 -9.089 513 2HD1 LEU 100 2HD1 LEU 100 -2.939 -6.019 -7.567 514 3HD1 LEU 100 3HD1 LEU 100 -1.673 -4.758 -7.586 515 1HD2 LEU 100 1HD2 LEU 100 0.303 -7.514 -6.273 516 2HD2 LEU 100 2HD2 LEU 100 -0.352 -5.902 -5.926 517 3HD2 LEU 100 3HD2 LEU 100 -1.371 -7.357 -5.775 518 HA PRO 101 HA PRO 101 -1.380 -13.176 -7.580 519 1HB PRO 101 2HB PRO 101 -1.858 -13.432 -4.917 520 2HB PRO 101 3HB PRO 101 -0.205 -13.320 -5.588 521 1HG PRO 101 2HG PRO 101 -1.857 -11.053 -4.428 522 2HG PRO 101 3HG PRO 101 -0.208 -11.499 -3.956 523 1HD PRO 101 2HD PRO 101 -0.684 -9.563 -5.795 524 2HD PRO 101 3HD PRO 101 0.685 -10.687 -6.028 525 H ASP 102 H ASP 102 -3.362 -13.245 -8.602 526 HA ASP 102 HA ASP 102 -5.590 -12.965 -9.051 527 1HB ASP 102 2HB ASP 102 -5.647 -13.724 -6.100 528 2HB ASP 102 3HB ASP 102 -7.057 -13.754 -7.178 529 H LEU 103 H LEU 103 -4.492 -10.508 -8.763 530 HA LEU 103 HA LEU 103 -4.669 -8.383 -7.984 531 1HB LEU 103 2HB LEU 103 -6.857 -7.285 -8.587 532 2HB LEU 103 3HB LEU 103 -5.902 -8.088 -9.825 533 HG LEU 103 HG LEU 103 -7.483 -10.077 -9.672 534 1HD1 LEU 103 1HD1 LEU 103 -9.735 -9.644 -8.811 535 2HD1 LEU 103 2HD1 LEU 103 -8.552 -9.444 -7.523 536 3HD1 LEU 103 3HD1 LEU 103 -9.259 -8.012 -8.283 537 1HD2 LEU 103 1HD2 LEU 103 -9.156 -8.971 -11.099 538 2HD2 LEU 103 2HD2 LEU 103 -8.570 -7.379 -10.573 539 3HD2 LEU 103 3HD2 LEU 103 -7.516 -8.451 -11.523 540 H PHE 104 H PHE 104 -4.483 -9.918 -5.910 541 HA PHE 104 HA PHE 104 -4.782 -10.161 -3.740 542 1HB PHE 104 2HB PHE 104 -4.548 -8.077 -2.436 543 2HB PHE 104 3HB PHE 104 -3.431 -8.229 -3.767 544 HD1 PHE 104 1HD PHE 104 -3.072 -6.348 -5.161 545 HD2 PHE 104 2HD PHE 104 -6.586 -6.371 -2.699 546 HE1 PHE 104 1HE PHE 104 -3.874 -4.270 -6.244 547 HE2 PHE 104 2HE PHE 104 -7.484 -4.510 -3.933 548 HZ PHE 104 HZ PHE 104 -6.181 -3.466 -5.797 549 H ARG 105 H ARG 105 -7.041 -11.058 -4.332 550 HA ARG 105 HA ARG 105 -8.667 -10.164 -5.613 551 1HB ARG 105 2HB ARG 105 -9.975 -11.118 -3.031 552 2HB ARG 105 3HB ARG 105 -10.672 -11.132 -4.641 553 1HG ARG 105 2HG ARG 105 -10.111 -13.328 -4.126 554 2HG ARG 105 3HG ARG 105 -8.909 -12.820 -5.324 555 1HD ARG 105 2HD ARG 105 -7.155 -13.049 -3.764 556 2HD ARG 105 3HD ARG 105 -8.139 -12.390 -2.456 557 HE ARG 105 HE ARG 105 -8.645 -14.408 -1.718 558 1HH1 ARG 105 2HH2 ARG 105 -7.642 -14.757 -5.076 559 2HH1 ARG 105 1HH2 ARG 105 -7.530 -16.481 -5.061 560 1HH2 ARG 105 1HH1 ARG 105 -8.558 -16.698 -1.622 561 2HH2 ARG 105 2HH1 ARG 105 -8.165 -17.630 -3.032 562 H GLU 106 H GLU 106 -9.725 -8.192 -6.028 563 HA GLU 106 HA GLU 106 -9.575 -6.148 -4.109 564 1HB GLU 106 2HB GLU 106 -10.938 -6.313 -6.849 565 2HB GLU 106 3HB GLU 106 -11.013 -4.867 -5.853 566 1HG GLU 106 2HG GLU 106 -8.556 -4.756 -5.790 567 2HG GLU 106 3HG GLU 106 -8.475 -6.056 -6.981 568 H GLY 107 H GLY 107 -11.212 -4.777 -3.230 569 1HA GLY 107 1HA GLY 107 -13.291 -4.213 -2.407 570 2HA GLY 107 2HA GLY 107 -14.003 -5.678 -3.091 571 H GLN 108 H GLN 108 -11.097 -5.580 -0.981 572 HA GLN 108 HA GLN 108 -12.519 -6.155 1.460 573 1HB GLN 108 2HB GLN 108 -11.222 -8.360 1.771 574 2HB GLN 108 3HB GLN 108 -12.635 -8.420 0.716 575 1HG GLN 108 2HG GLN 108 -11.398 -8.534 -1.229 576 2HG GLN 108 3HG GLN 108 -9.935 -7.828 -0.491 577 1HE2 GLN 108 1HE2 GLN 108 -8.512 -9.460 -1.135 578 2HE2 GLN 108 2HE2 GLN 108 -8.553 -11.018 -0.291 579 H GLY 109 H GLY 109 -10.626 -6.836 3.112 580 1HA GLY 109 1HA GLY 109 -8.537 -4.794 2.766 581 2HA GLY 109 2HA GLY 109 -8.981 -5.542 4.289 582 H ILE 110 H ILE 110 -6.424 -5.091 2.787 583 HA ILE 110 HA ILE 110 -5.378 -7.871 2.763 584 HB ILE 110 HB ILE 110 -4.284 -7.669 0.704 585 1HG1 ILE 110 2HG1 ILE 110 -5.286 -5.395 -0.638 586 2HG1 ILE 110 3HG1 ILE 110 -4.672 -4.775 0.891 587 1HG2 ILE 110 1HG2 ILE 110 -6.050 -7.648 -0.829 588 2HG2 ILE 110 2HG2 ILE 110 -6.689 -8.361 0.652 589 3HG2 ILE 110 3HG2 ILE 110 -7.126 -6.695 0.195 590 1HD1 ILE 110 1HD1 ILE 110 -2.497 -5.956 0.425 591 2HD1 ILE 110 2HD1 ILE 110 -3.173 -6.549 -1.110 592 3HD1 ILE 110 3HD1 ILE 110 -2.937 -4.809 -0.861 593 H VAL 111 H VAL 111 -2.978 -7.866 2.856 594 HA VAL 111 HA VAL 111 -1.959 -5.357 4.099 595 HB VAL 111 HB VAL 111 -0.700 -6.575 5.667 596 1HG1 VAL 111 1HG1 VAL 111 -3.572 -7.604 5.784 597 2HG1 VAL 111 2HG1 VAL 111 -2.475 -7.308 7.147 598 3HG1 VAL 111 3HG1 VAL 111 -3.095 -5.951 6.196 599 1HG2 VAL 111 1HG2 VAL 111 -1.033 -8.999 6.086 600 2HG2 VAL 111 2HG2 VAL 111 -1.999 -9.117 4.608 601 3HG2 VAL 111 3HG2 VAL 111 -0.269 -8.693 4.525 602 H ALA 112 H ALA 112 -0.325 -4.479 3.127 603 HA ALA 112 HA ALA 112 1.164 -6.033 1.043 604 1HB ALA 112 1HB ALA 112 -0.406 -4.171 0.255 605 2HB ALA 112 2HB ALA 112 0.708 -3.047 1.033 606 3HB ALA 112 3HB ALA 112 1.292 -4.079 -0.272 607 H GLN 113 H GLN 113 3.278 -6.321 1.481 608 HA GLN 113 HA GLN 113 4.568 -4.631 3.556 609 1HB GLN 113 2HB GLN 113 5.844 -7.130 2.517 610 2HB GLN 113 3HB GLN 113 5.965 -6.399 4.086 611 1HG GLN 113 2HG GLN 113 3.569 -7.137 4.536 612 2HG GLN 113 3HG GLN 113 3.584 -7.984 2.997 613 1HE2 GLN 113 1HE2 GLN 113 6.172 -9.147 2.919 614 2HE2 GLN 113 2HE2 GLN 113 6.221 -10.332 4.191 615 H GLY 114 H GLY 114 6.316 -3.342 2.957 616 1HA GLY 114 1HA GLY 114 7.636 -3.628 0.378 617 2HA GLY 114 2HA GLY 114 6.383 -2.351 0.443 618 H VAL 115 H VAL 115 8.385 -1.063 -0.025 619 HA VAL 115 HA VAL 115 9.394 -0.024 2.547 620 HB VAL 115 HB VAL 115 11.227 -1.242 1.551 621 1HG1 VAL 115 1HG1 VAL 115 10.620 -1.150 -0.853 622 2HG1 VAL 115 2HG1 VAL 115 10.998 0.587 -0.874 623 3HG1 VAL 115 3HG1 VAL 115 12.278 -0.599 -0.567 624 1HG2 VAL 115 1HG2 VAL 115 11.767 1.714 1.285 625 2HG2 VAL 115 2HG2 VAL 115 11.707 0.813 2.813 626 3HG2 VAL 115 3HG2 VAL 115 12.936 0.430 1.604 627 H LEU 116 H LEU 116 9.160 2.106 2.766 628 HA LEU 116 HA LEU 116 7.554 3.534 0.732 629 1HB LEU 116 2HB LEU 116 8.832 4.361 3.369 630 2HB LEU 116 3HB LEU 116 8.018 5.496 2.270 631 HG LEU 116 HG LEU 116 5.939 4.223 2.403 632 1HD1 LEU 116 1HD1 LEU 116 7.448 2.535 4.442 633 2HD1 LEU 116 2HD1 LEU 116 5.683 2.583 4.306 634 3HD1 LEU 116 3HD1 LEU 116 6.634 1.946 2.969 635 1HD2 LEU 116 1HD2 LEU 116 7.054 4.964 5.134 636 2HD2 LEU 116 2HD2 LEU 116 6.453 6.114 3.926 637 3HD2 LEU 116 3HD2 LEU 116 5.341 4.932 4.646 638 H GLY 117 H GLY 117 8.377 5.504 -0.437 639 1HA GLY 117 1HA GLY 117 11.119 6.252 -0.267 640 2HA GLY 117 2HA GLY 117 10.940 5.133 -1.643 641 H GLU 118 H GLU 118 8.393 5.929 -2.586 642 HA GLU 118 HA GLU 118 8.956 8.395 -3.902 643 1HB GLU 118 2HB GLU 118 6.296 7.091 -3.241 644 2HB GLU 118 3HB GLU 118 6.568 8.436 -4.377 645 1HG GLU 118 2HG GLU 118 8.266 6.782 -5.500 646 2HG GLU 118 3HG GLU 118 7.422 5.541 -4.564 647 H ASP 119 H ASP 119 7.914 10.390 -3.600 648 HA ASP 119 HA ASP 119 7.799 11.201 -0.850 649 1HB ASP 119 2HB ASP 119 8.986 12.533 -2.621 650 2HB ASP 119 3HB ASP 119 7.442 12.811 -3.450 651 H GLY 120 H GLY 120 6.029 9.732 -0.656 652 1HA GLY 120 1HA GLY 120 3.857 10.177 0.426 653 2HA GLY 120 2HA GLY 120 3.341 11.077 -0.994 654 H LYS 121 H LYS 121 4.987 8.228 -1.934 655 HA LYS 121 HA LYS 121 2.515 6.550 -1.937 656 1HB LYS 121 2HB LYS 121 4.369 7.195 -4.222 657 2HB LYS 121 3HB LYS 121 3.749 5.568 -4.095 658 1HG LYS 121 2HG LYS 121 2.269 6.589 -5.541 659 2HG LYS 121 3HG LYS 121 1.474 6.455 -3.975 660 1HD LYS 121 2HD LYS 121 0.809 8.522 -4.807 661 2HD LYS 121 3HD LYS 121 1.986 8.928 -3.581 662 1HE LYS 121 2HE LYS 121 2.469 8.804 -6.611 663 2HE LYS 121 3HE LYS 121 2.126 10.261 -5.669 664 1HZ LYS 121 1HZ LYS 121 4.222 9.708 -4.427 665 2HZ LYS 121 2HZ LYS 121 4.538 8.587 -5.612 666 3HZ LYS 121 3HZ LYS 121 4.427 10.156 -5.998 667 H LEU 122 H LEU 122 3.162 4.189 -2.284 668 HA LEU 122 HA LEU 122 5.650 3.579 -0.725 669 1HB LEU 122 2HB LEU 122 2.977 2.122 -0.563 670 2HB LEU 122 3HB LEU 122 4.457 1.802 0.340 671 HG LEU 122 HG LEU 122 4.083 4.421 1.027 672 1HD1 LEU 122 1HD1 LEU 122 1.282 3.300 0.663 673 2HD1 LEU 122 2HD1 LEU 122 1.705 4.795 1.523 674 3HD1 LEU 122 3HD1 LEU 122 1.966 4.674 -0.223 675 1HD2 LEU 122 1HD2 LEU 122 2.564 2.165 2.401 676 2HD2 LEU 122 2HD2 LEU 122 4.318 2.356 2.508 677 3HD2 LEU 122 3HD2 LEU 122 3.267 3.630 3.134 678 H ALA 123 H ALA 123 6.808 1.717 -1.384 679 HA ALA 123 HA ALA 123 5.938 0.505 -3.995 680 1HB ALA 123 1HB ALA 123 8.727 0.905 -2.859 681 2HB ALA 123 2HB ALA 123 8.309 0.090 -4.382 682 3HB ALA 123 3HB ALA 123 7.983 1.823 -4.188 683 H ALA 124 H ALA 124 4.989 -1.430 -3.613 684 HA ALA 124 HA ALA 124 6.223 -3.251 -1.570 685 1HB ALA 124 1HB ALA 124 3.270 -2.591 -1.993 686 2HB ALA 124 2HB ALA 124 3.879 -3.864 -0.927 687 3HB ALA 124 3HB ALA 124 4.231 -2.160 -0.563 688 H THR 125 H THR 125 6.461 -5.337 -2.243 689 HA THR 125 HA THR 125 4.950 -6.162 -4.680 690 HB THR 125 HB THR 125 7.274 -5.746 -5.239 691 HG1 THR 125 1HG THR 125 6.158 -7.224 -6.473 692 1HG2 THR 125 1HG2 THR 125 8.347 -6.448 -3.098 693 2HG2 THR 125 2HG2 THR 125 7.889 -8.132 -3.443 694 3HG2 THR 125 3HG2 THR 125 9.011 -7.281 -4.516 695 H GLU 126 H GLU 126 5.211 -6.664 -1.339 696 HA GLU 126 HA GLU 126 4.528 -9.586 -1.568 697 1HB GLU 126 2HB GLU 126 5.655 -7.823 0.579 698 2HB GLU 126 3HB GLU 126 5.171 -9.505 0.872 699 1HG GLU 126 2HG GLU 126 7.051 -10.328 -0.158 700 2HG GLU 126 3HG GLU 126 7.091 -9.078 -1.395 701 H VAL 127 H VAL 127 2.289 -9.001 -2.223 702 HA VAL 127 HA VAL 127 0.659 -7.795 -0.029 703 HB VAL 127 HB VAL 127 -1.212 -7.877 -1.599 704 1HG1 VAL 127 1HG1 VAL 127 -0.303 -5.794 -1.264 705 2HG1 VAL 127 2HG1 VAL 127 1.194 -6.126 -2.136 706 3HG1 VAL 127 3HG1 VAL 127 -0.337 -5.926 -3.022 707 1HG2 VAL 127 1HG2 VAL 127 -1.109 -8.946 -3.523 708 2HG2 VAL 127 2HG2 VAL 127 0.166 -7.862 -4.079 709 3HG2 VAL 127 3HG2 VAL 127 0.596 -9.370 -3.291 710 H LEU 128 H LEU 128 -0.425 -9.006 1.316 711 HA LEU 128 HA LEU 128 -0.960 -11.874 0.659 712 1HB LEU 128 2HB LEU 128 -0.723 -10.653 3.410 713 2HB LEU 128 3HB LEU 128 -0.894 -12.341 2.976 714 HG LEU 128 HG LEU 128 1.291 -12.126 3.671 715 1HD1 LEU 128 1HD1 LEU 128 2.710 -12.650 1.831 716 2HD1 LEU 128 2HD1 LEU 128 1.107 -13.345 1.502 717 3HD1 LEU 128 3HD1 LEU 128 1.637 -11.863 0.671 718 1HD2 LEU 128 1HD2 LEU 128 1.570 -9.708 3.734 719 2HD2 LEU 128 2HD2 LEU 128 2.946 -10.501 2.959 720 3HD2 LEU 128 3HD2 LEU 128 1.762 -9.650 1.973 721 H ALA 129 H ALA 129 -3.008 -11.886 -0.060 722 HA ALA 129 HA ALA 129 -5.031 -9.973 0.916 723 1HB ALA 129 1HB ALA 129 -6.392 -10.899 -0.894 724 2HB ALA 129 2HB ALA 129 -4.780 -10.455 -1.480 725 3HB ALA 129 3HB ALA 129 -5.180 -12.165 -1.195 726 H LYS 130 H LYS 130 -4.305 -11.386 3.037 727 HA LYS 130 HA LYS 130 -5.654 -13.954 3.248 728 1HB LYS 130 2HB LYS 130 -4.633 -14.129 5.394 729 2HB LYS 130 3HB LYS 130 -3.468 -13.540 4.208 730 1HG LYS 130 2HG LYS 130 -3.999 -11.153 5.157 731 2HG LYS 130 3HG LYS 130 -4.771 -12.027 6.487 732 1HD LYS 130 2HD LYS 130 -2.581 -13.372 6.675 733 2HD LYS 130 3HD LYS 130 -1.867 -12.101 5.655 734 1HE LYS 130 2HE LYS 130 -2.702 -10.387 7.344 735 2HE LYS 130 3HE LYS 130 -3.298 -11.721 8.345 736 1HZ LYS 130 1HZ LYS 130 -1.031 -12.510 8.523 737 2HZ LYS 130 2HZ LYS 130 -0.485 -11.227 7.640 738 3HZ LYS 130 3HZ LYS 130 -1.185 -10.980 9.105 739 H HIS 131 H HID 131 -7.777 -12.827 2.611 740 HA HIS 131 HA HID 131 -9.355 -12.400 5.058 741 1HB HIS 131 2HB HID 131 -8.434 -10.195 3.864 742 2HB HIS 131 3HB HID 131 -9.750 -10.497 2.741 743 HD1 HIS 131 1HD HID 131 -12.334 -10.616 4.173 744 HD2 HIS 131 2HD HID 131 -8.934 -8.819 5.937 745 HE1 HIS 131 1HE HID 131 -13.170 -9.128 6.029 746 H ASP 132 H ASP 132 -11.411 -13.140 4.760 747 HA ASP 132 HA ASP 132 -12.814 -14.820 4.064 748 1HB ASP 132 2HB ASP 132 -13.034 -12.700 1.906 749 2HB ASP 132 3HB ASP 132 -14.226 -13.979 2.193 Start of MODEL 11 1 H SER 32 H SER 32 17.733 -2.589 11.762 2 HA SER 32 HA SER 32 18.334 -1.118 9.339 3 1HB SER 32 2HB SER 32 16.912 -3.795 9.623 4 2HB SER 32 3HB SER 32 17.728 -3.136 8.194 5 HG SER 32 HG SER 32 19.537 -2.983 9.997 6 H ASN 33 H ASN 33 15.179 -2.544 10.524 7 HA ASN 33 HA ASN 33 13.718 -0.285 9.373 8 1HB ASN 33 2HB ASN 33 13.409 -3.167 8.382 9 2HB ASN 33 3HB ASN 33 12.212 -1.899 8.124 10 1HD2 ASN 33 1HD2 ASN 33 14.471 0.161 7.541 11 2HD2 ASN 33 2HD2 ASN 33 14.702 -0.170 5.846 12 H LEU 34 H LEU 34 11.633 -0.126 10.113 13 HA LEU 34 HA LEU 34 10.923 -1.717 12.494 14 1HB LEU 34 2HB LEU 34 10.426 1.003 11.494 15 2HB LEU 34 3HB LEU 34 8.927 0.236 11.979 16 HG LEU 34 HG LEU 34 11.381 0.377 13.767 17 1HD1 LEU 34 1HD1 LEU 34 10.128 2.180 14.929 18 2HD1 LEU 34 2HD1 LEU 34 10.513 2.628 13.258 19 3HD1 LEU 34 3HD1 LEU 34 8.867 2.106 13.679 20 1HD2 LEU 34 1HD2 LEU 34 9.843 -1.461 14.411 21 2HD2 LEU 34 2HD2 LEU 34 9.681 -0.125 15.551 22 3HD2 LEU 34 3HD2 LEU 34 8.456 -0.363 14.293 23 H ASN 35 H ASN 35 10.629 -3.665 11.292 24 HA ASN 35 HA ASN 35 8.785 -3.746 9.037 25 1HB ASN 35 2HB ASN 35 10.357 -5.830 10.608 26 2HB ASN 35 3HB ASN 35 9.225 -6.293 9.338 27 1HD2 ASN 35 1HD2 ASN 35 12.370 -6.201 9.621 28 2HD2 ASN 35 2HD2 ASN 35 12.799 -5.617 8.027 29 H LEU 36 H LEU 36 6.930 -2.763 10.231 30 HA LEU 36 HA LEU 36 5.325 -4.846 11.648 31 1HB LEU 36 2HB LEU 36 4.688 -3.516 13.322 32 2HB LEU 36 3HB LEU 36 6.377 -3.053 13.148 33 HG LEU 36 HG LEU 36 3.943 -1.486 12.125 34 1HD1 LEU 36 1HD1 LEU 36 4.127 -1.538 14.565 35 2HD1 LEU 36 2HD1 LEU 36 5.825 -1.017 14.469 36 3HD1 LEU 36 3HD1 LEU 36 4.526 0.068 13.938 37 1HD2 LEU 36 1HD2 LEU 36 5.570 0.358 11.753 38 2HD2 LEU 36 2HD2 LEU 36 6.893 -0.751 12.153 39 3HD2 LEU 36 3HD2 LEU 36 5.907 -1.013 10.694 40 H PHE 37 H PHE 37 2.981 -4.244 11.750 41 HA PHE 37 HA PHE 37 2.009 -3.366 9.086 42 1HB PHE 37 2HB PHE 37 0.688 -4.878 11.367 43 2HB PHE 37 3HB PHE 37 -0.163 -4.283 9.954 44 HD1 PHE 37 1HD PHE 37 0.505 -5.066 7.631 45 HD2 PHE 37 2HD PHE 37 1.618 -7.109 11.262 46 HE1 PHE 37 1HE PHE 37 1.032 -7.109 6.328 47 HE2 PHE 37 2HE PHE 37 2.008 -9.191 9.961 48 HZ PHE 37 HZ PHE 37 1.722 -9.186 7.489 49 H TYR 38 H TYR 38 0.956 -1.469 8.849 50 HA TYR 38 HA TYR 38 -0.318 -0.207 11.215 51 1HB TYR 38 2HB TYR 38 1.951 0.840 9.705 52 2HB TYR 38 3HB TYR 38 0.554 1.859 9.426 53 HD1 TYR 38 HD1 TYR 38 -0.793 2.698 11.486 54 HD2 TYR 38 HD2 TYR 38 3.193 1.070 11.733 55 HE1 TYR 38 HE1 TYR 38 -0.549 3.632 13.765 56 HE2 TYR 38 HE2 TYR 38 3.495 2.164 13.938 57 HH TYR 38 HH TYR 38 2.482 3.341 15.634 58 H THR 39 H THR 39 -2.082 1.344 10.568 59 HA THR 39 HA THR 39 -3.647 0.200 8.445 60 HB THR 39 HB THR 39 -5.211 2.095 9.449 61 HG1 THR 39 1HG THR 39 -4.511 2.728 11.484 62 1HG2 THR 39 1HG2 THR 39 -4.277 -0.292 11.114 63 2HG2 THR 39 2HG2 THR 39 -5.802 0.598 11.320 64 3HG2 THR 39 3HG2 THR 39 -5.519 -0.329 9.839 65 HA PRO 40 HA PRO 40 -2.510 3.108 5.324 66 1HB PRO 40 2HB PRO 40 -4.846 3.373 3.873 67 2HB PRO 40 3HB PRO 40 -3.724 1.988 3.786 68 1HG PRO 40 2HG PRO 40 -6.230 2.226 5.422 69 2HG PRO 40 3HG PRO 40 -5.713 0.857 4.411 70 1HD PRO 40 2HD PRO 40 -5.378 0.830 7.082 71 2HD PRO 40 3HD PRO 40 -4.071 0.225 6.014 72 H SER 41 H SER 41 -5.614 3.849 6.980 73 HA SER 41 HA SER 41 -6.026 6.537 6.384 74 1HB SER 41 2HB SER 41 -6.977 6.451 8.826 75 2HB SER 41 3HB SER 41 -7.631 5.353 7.612 76 HG SER 41 HG SER 41 -7.042 3.901 9.230 77 H GLU 42 H GLU 42 -4.333 5.125 9.124 78 HA GLU 42 HA GLU 42 -3.292 7.330 10.379 79 1HB GLU 42 2HB GLU 42 -3.042 4.822 10.993 80 2HB GLU 42 3HB GLU 42 -1.615 4.817 9.951 81 1HG GLU 42 2HG GLU 42 -0.751 5.255 12.089 82 2HG GLU 42 3HG GLU 42 -0.825 6.861 11.374 83 H ILE 43 H ILE 43 -1.675 5.514 7.721 84 HA ILE 43 HA ILE 43 0.507 7.390 7.668 85 HB ILE 43 HB ILE 43 1.224 6.056 5.621 86 1HG1 ILE 43 2HG1 ILE 43 -0.931 4.166 6.417 87 2HG1 ILE 43 3HG1 ILE 43 -0.894 5.162 4.939 88 1HG2 ILE 43 1HG2 ILE 43 2.024 5.808 8.018 89 2HG2 ILE 43 2HG2 ILE 43 0.787 4.556 8.238 90 3HG2 ILE 43 3HG2 ILE 43 2.121 4.323 7.086 91 1HD1 ILE 43 1HD1 ILE 43 -0.103 2.940 4.399 92 2HD1 ILE 43 2HD1 ILE 43 1.274 4.053 4.317 93 3HD1 ILE 43 3HD1 ILE 43 1.072 2.960 5.708 94 H VAL 44 H VAL 44 -2.400 8.317 6.807 95 HA VAL 44 HA VAL 44 -1.507 9.805 4.388 96 HB VAL 44 HB VAL 44 -4.228 9.432 5.652 97 1HG1 VAL 44 1HG1 VAL 44 -4.184 11.682 4.712 98 2HG1 VAL 44 2HG1 VAL 44 -3.407 11.084 3.229 99 3HG1 VAL 44 3HG1 VAL 44 -5.071 10.613 3.623 100 1HG2 VAL 44 1HG2 VAL 44 -3.231 7.505 4.334 101 2HG2 VAL 44 2HG2 VAL 44 -4.682 8.189 3.610 102 3HG2 VAL 44 3HG2 VAL 44 -3.090 8.589 2.943 103 H ASN 45 H ASN 45 -2.995 10.442 7.613 104 HA ASN 45 HA ASN 45 -2.649 13.339 7.097 105 1HB ASN 45 2HB ASN 45 -4.174 11.832 9.226 106 2HB ASN 45 3HB ASN 45 -4.130 13.589 9.053 107 1HD2 ASN 45 1HD2 ASN 45 -5.559 10.629 7.764 108 2HD2 ASN 45 2HD2 ASN 45 -6.610 11.457 6.628 109 H GLY 46 H GLY 46 -0.369 13.589 7.462 110 1HA GLY 46 1HA GLY 46 1.218 14.585 8.852 111 2HA GLY 46 2HA GLY 46 0.219 14.255 10.275 112 H LYS 47 H LYS 47 1.509 12.126 7.720 113 HA LYS 47 HA LYS 47 3.405 10.720 9.328 114 1HB LYS 47 2HB LYS 47 0.707 9.445 8.688 115 2HB LYS 47 3HB LYS 47 2.152 8.480 8.972 116 1HG LYS 47 2HG LYS 47 1.493 8.344 11.050 117 2HG LYS 47 3HG LYS 47 2.279 9.919 11.211 118 1HD LYS 47 2HD LYS 47 -0.096 10.874 10.626 119 2HD LYS 47 3HD LYS 47 -0.706 9.276 10.951 120 1HE LYS 47 2HE LYS 47 0.969 10.832 12.967 121 2HE LYS 47 3HE LYS 47 -0.791 10.967 12.848 122 1HZ LYS 47 1HZ LYS 47 -1.039 8.690 13.288 123 2HZ LYS 47 2HZ LYS 47 0.564 8.396 13.317 124 3HZ LYS 47 3HZ LYS 47 -0.145 9.322 14.488 125 H THR 48 H THR 48 3.472 8.495 7.524 126 HA THR 48 HA THR 48 5.135 9.010 5.651 127 HB THR 48 HB THR 48 2.875 7.156 5.859 128 HG1 THR 48 1HG THR 48 4.670 5.711 5.899 129 1HG2 THR 48 1HG2 THR 48 3.649 5.823 3.865 130 2HG2 THR 48 2HG2 THR 48 2.716 7.263 3.490 131 3HG2 THR 48 3HG2 THR 48 4.475 7.296 3.295 132 H ASP 49 H ASP 49 1.649 9.324 4.493 133 HA ASP 49 HA ASP 49 2.431 10.145 1.927 134 1HB ASP 49 2HB ASP 49 0.106 9.539 2.659 135 2HB ASP 49 3HB ASP 49 -0.012 11.133 3.428 136 H THR 50 H THR 50 1.878 12.064 4.867 137 HA THR 50 HA THR 50 2.412 14.646 3.672 138 HB THR 50 HB THR 50 2.771 14.022 6.587 139 HG1 THR 50 1HG THR 50 0.405 13.597 5.202 140 1HG2 THR 50 1HG2 THR 50 2.993 16.346 5.793 141 2HG2 THR 50 2HG2 THR 50 1.339 16.280 5.138 142 3HG2 THR 50 3HG2 THR 50 1.611 16.162 6.891 143 H GLY 51 H GLY 51 4.239 12.075 5.242 144 1HA GLY 51 1HA GLY 51 6.463 11.582 5.297 145 2HA GLY 51 2HA GLY 51 6.764 12.937 4.199 146 H VAL 52 H VAL 52 5.385 12.818 7.521 147 HA VAL 52 HA VAL 52 7.497 14.748 8.402 148 HB VAL 52 HB VAL 52 5.935 15.062 10.392 149 1HG1 VAL 52 1HG1 VAL 52 4.643 16.747 9.114 150 2HG1 VAL 52 2HG1 VAL 52 6.359 16.750 8.677 151 3HG1 VAL 52 3HG1 VAL 52 5.172 15.993 7.595 152 1HG2 VAL 52 1HG2 VAL 52 3.593 14.708 10.075 153 2HG2 VAL 52 2HG2 VAL 52 3.825 14.123 8.425 154 3HG2 VAL 52 3HG2 VAL 52 4.314 13.121 9.782 155 H LYS 53 H LYS 53 5.805 12.525 10.611 156 HA LYS 53 HA LYS 53 8.169 12.063 12.014 157 1HB LYS 53 2HB LYS 53 5.422 10.839 12.023 158 2HB LYS 53 3HB LYS 53 6.698 10.022 12.925 159 1HG LYS 53 2HG LYS 53 6.131 12.995 13.223 160 2HG LYS 53 3HG LYS 53 5.221 11.802 14.142 161 1HD LYS 53 2HD LYS 53 8.275 11.904 14.210 162 2HD LYS 53 3HD LYS 53 7.264 12.864 15.292 163 1HE LYS 53 2HE LYS 53 6.256 10.880 16.268 164 2HE LYS 53 3HE LYS 53 7.051 9.817 15.100 165 1HZ LYS 53 1HZ LYS 53 8.171 9.821 17.197 166 2HZ LYS 53 2HZ LYS 53 9.157 10.411 16.025 167 3HZ LYS 53 3HZ LYS 53 8.459 11.437 17.110 168 HA PRO 54 HA PRO 54 9.053 7.978 9.864 169 1HB PRO 54 2HB PRO 54 7.497 6.887 7.938 170 2HB PRO 54 3HB PRO 54 7.093 6.711 9.674 171 1HG PRO 54 2HG PRO 54 6.015 8.745 7.717 172 2HG PRO 54 3HG PRO 54 5.068 7.682 8.806 173 1HD PRO 54 2HD PRO 54 5.710 10.282 9.421 174 2HD PRO 54 3HD PRO 54 5.624 9.006 10.680 175 H GLU 55 H GLU 55 10.425 7.804 8.098 176 HA GLU 55 HA GLU 55 10.475 10.047 6.139 177 1HB GLU 55 2HB GLU 55 12.177 9.942 8.093 178 2HB GLU 55 3HB GLU 55 12.852 8.520 7.288 179 1HG GLU 55 2HG GLU 55 13.267 9.934 5.256 180 2HG GLU 55 3HG GLU 55 12.615 11.332 6.134 181 H ALA 56 H ALA 56 10.741 9.389 3.969 182 HA ALA 56 HA ALA 56 10.122 6.692 3.365 183 1HB ALA 56 1HB ALA 56 9.396 8.396 1.797 184 2HB ALA 56 2HB ALA 56 11.067 8.914 1.495 185 3HB ALA 56 3HB ALA 56 10.497 7.340 0.936 186 H GLY 57 H GLY 57 11.519 5.064 2.222 187 1HA GLY 57 1HA GLY 57 13.755 4.278 1.818 188 2HA GLY 57 2HA GLY 57 14.359 5.249 3.165 189 H GLN 58 H GLN 58 11.781 4.451 4.733 190 HA GLN 58 HA GLN 58 13.036 2.064 5.939 191 1HB GLN 58 2HB GLN 58 10.755 3.889 6.769 192 2HB GLN 58 3HB GLN 58 11.208 2.429 7.666 193 1HG GLN 58 2HG GLN 58 13.427 3.246 8.105 194 2HG GLN 58 3HG GLN 58 13.221 4.627 7.020 195 1HE2 GLN 58 1HE2 GLN 58 11.663 6.308 7.593 196 2HE2 GLN 58 2HE2 GLN 58 11.437 6.603 9.334 197 H ARG 59 H ARG 59 11.916 0.121 6.299 198 HA ARG 59 HA ARG 59 9.866 -0.502 4.274 199 1HB ARG 59 2HB ARG 59 12.048 -1.848 4.629 200 2HB ARG 59 3HB ARG 59 11.237 -2.532 6.056 201 1HG ARG 59 2HG ARG 59 9.360 -3.272 4.516 202 2HG ARG 59 3HG ARG 59 10.283 -2.589 3.172 203 1HD ARG 59 2HD ARG 59 10.945 -4.726 2.958 204 2HD ARG 59 3HD ARG 59 12.229 -4.157 4.051 205 HE ARG 59 HE ARG 59 10.352 -5.035 5.815 206 1HH1 ARG 59 2HH2 ARG 59 12.308 -6.503 3.330 207 2HH1 ARG 59 1HH2 ARG 59 11.890 -8.149 3.700 208 1HH2 ARG 59 1HH1 ARG 59 9.407 -7.210 6.059 209 2HH2 ARG 59 2HH1 ARG 59 10.341 -8.550 5.463 210 H ILE 60 H ILE 60 7.768 -0.983 4.863 211 HA ILE 60 HA ILE 60 7.062 -1.533 7.657 212 HB ILE 60 HB ILE 60 5.317 0.113 7.780 213 1HG1 ILE 60 2HG1 ILE 60 6.287 1.507 5.271 214 2HG1 ILE 60 3HG1 ILE 60 4.992 0.318 5.204 215 1HG2 ILE 60 1HG2 ILE 60 7.568 0.712 8.633 216 2HG2 ILE 60 2HG2 ILE 60 7.905 1.564 7.110 217 3HG2 ILE 60 3HG2 ILE 60 6.607 2.121 8.178 218 1HD1 ILE 60 1HD1 ILE 60 3.650 1.569 6.829 219 2HD1 ILE 60 2HD1 ILE 60 4.885 2.851 6.870 220 3HD1 ILE 60 3HD1 ILE 60 4.004 2.503 5.374 221 H ARG 61 H ARG 61 4.545 -2.046 7.667 222 HA ARG 61 HA ARG 61 3.699 -2.859 4.929 223 1HB ARG 61 2HB ARG 61 2.834 -4.357 7.396 224 2HB ARG 61 3HB ARG 61 2.721 -4.837 5.705 225 1HG ARG 61 2HG ARG 61 5.262 -4.958 5.696 226 2HG ARG 61 3HG ARG 61 5.262 -4.631 7.414 227 1HD ARG 61 2HD ARG 61 3.493 -6.873 6.437 228 2HD ARG 61 3HD ARG 61 5.182 -7.203 6.476 229 HE ARG 61 HE ARG 61 3.447 -6.767 8.765 230 1HH1 ARG 61 2HH2 ARG 61 6.832 -6.877 7.572 231 2HH1 ARG 61 1HH2 ARG 61 7.473 -7.144 9.176 232 1HH2 ARG 61 1HH1 ARG 61 4.427 -7.174 10.873 233 2HH2 ARG 61 2HH1 ARG 61 6.158 -6.902 11.006 234 H VAL 62 H VAL 62 1.687 -2.397 4.307 235 HA VAL 62 HA VAL 62 0.033 -0.654 6.088 236 HB VAL 62 HB VAL 62 0.627 0.465 4.058 237 1HG1 VAL 62 1HG1 VAL 62 -0.036 -0.252 1.834 238 2HG1 VAL 62 2HG1 VAL 62 1.054 -1.449 2.530 239 3HG1 VAL 62 3HG1 VAL 62 -0.707 -1.760 2.447 240 1HG2 VAL 62 1HG2 VAL 62 -1.576 1.034 3.215 241 2HG2 VAL 62 2HG2 VAL 62 -2.273 -0.463 3.844 242 3HG2 VAL 62 3HG2 VAL 62 -1.670 0.779 4.972 243 H GLY 63 H GLY 63 -1.936 -1.526 6.807 244 1HA GLY 63 1HA GLY 63 -3.061 -3.871 5.327 245 2HA GLY 63 2HA GLY 63 -2.801 -3.941 7.075 246 H GLY 64 H GLY 64 -5.111 -3.447 4.730 247 1HA GLY 64 1HA GLY 64 -7.103 -2.352 6.421 248 2HA GLY 64 2HA GLY 64 -6.445 -1.044 5.423 249 H MET 65 H MET 65 -8.593 -0.960 4.312 250 HA MET 65 HA MET 65 -9.271 -3.378 2.743 251 1HB MET 65 2HB MET 65 -11.411 -2.371 2.271 252 2HB MET 65 3HB MET 65 -11.141 -2.849 3.941 253 1HG MET 65 2HG MET 65 -10.626 0.008 3.152 254 2HG MET 65 3HG MET 65 -12.289 -0.536 3.278 255 1HE MET 65 1HE MET 65 -12.782 -1.332 7.026 256 2HE MET 65 2HE MET 65 -13.552 -1.180 5.431 257 3HE MET 65 3HE MET 65 -12.422 -2.518 5.757 258 H VAL 66 H VAL 66 -9.352 -3.464 0.634 259 HA VAL 66 HA VAL 66 -8.093 -1.267 -0.904 260 HB VAL 66 HB VAL 66 -9.158 -3.959 -1.841 261 1HG1 VAL 66 1HG1 VAL 66 -8.926 -2.284 -3.657 262 2HG1 VAL 66 2HG1 VAL 66 -7.279 -1.898 -3.107 263 3HG1 VAL 66 3HG1 VAL 66 -7.660 -3.508 -3.748 264 1HG2 VAL 66 1HG2 VAL 66 -6.796 -4.650 -1.826 265 2HG2 VAL 66 2HG2 VAL 66 -6.333 -3.113 -1.053 266 3HG2 VAL 66 3HG2 VAL 66 -7.349 -4.286 -0.187 267 H THR 67 H THR 67 -9.278 0.318 -1.814 268 HA THR 67 HA THR 67 -11.719 1.083 -1.490 269 HB THR 67 HB THR 67 -10.290 1.329 -4.130 270 HG1 THR 67 1HG THR 67 -9.521 3.037 -2.121 271 1HG2 THR 67 1HG2 THR 67 -12.330 2.669 -4.065 272 2HG2 THR 67 2HG2 THR 67 -11.904 3.316 -2.461 273 3HG2 THR 67 3HG2 THR 67 -10.947 3.753 -3.889 274 H VAL 68 H VAL 68 -11.509 -0.056 -4.885 275 HA VAL 68 HA VAL 68 -13.499 -1.963 -4.722 276 HB VAL 68 HB VAL 68 -15.018 -0.100 -4.025 277 1HG1 VAL 68 1HG1 VAL 68 -13.966 1.766 -5.323 278 2HG1 VAL 68 2HG1 VAL 68 -14.606 1.048 -6.817 279 3HG1 VAL 68 3HG1 VAL 68 -15.713 1.615 -5.558 280 1HG2 VAL 68 1HG2 VAL 68 -15.766 -2.108 -5.219 281 2HG2 VAL 68 2HG2 VAL 68 -16.793 -0.684 -5.500 282 3HG2 VAL 68 3HG2 VAL 68 -15.652 -1.218 -6.756 283 H GLY 69 H GLY 69 -12.081 0.668 -6.664 284 1HA GLY 69 1HA GLY 69 -11.249 -1.301 -8.661 285 2HA GLY 69 2HA GLY 69 -12.416 -0.096 -9.249 286 H SER 70 H SER 70 -9.842 0.238 -6.785 287 HA SER 70 HA SER 70 -8.836 2.651 -8.155 288 1HB SER 70 2HB SER 70 -7.967 1.358 -5.554 289 2HB SER 70 3HB SER 70 -7.356 2.881 -6.250 290 HG SER 70 HG SER 70 -9.069 3.287 -4.808 291 H MET 71 H MET 71 -8.149 -0.767 -8.075 292 HA MET 71 HA MET 71 -5.369 -0.708 -8.483 293 1HB MET 71 2HB MET 71 -7.106 -2.646 -7.984 294 2HB MET 71 3HB MET 71 -7.182 -2.803 -9.729 295 1HG MET 71 2HG MET 71 -4.391 -2.688 -8.917 296 2HG MET 71 3HG MET 71 -5.275 -3.757 -7.824 297 1HE MET 71 1HE MET 71 -5.764 -3.075 -11.702 298 2HE MET 71 2HE MET 71 -4.001 -3.090 -11.406 299 3HE MET 71 3HE MET 71 -4.765 -4.395 -12.352 300 H VAL 72 H VAL 72 -4.127 -0.181 -10.270 301 HA VAL 72 HA VAL 72 -5.323 -0.410 -12.965 302 HB VAL 72 HB VAL 72 -4.271 1.699 -13.687 303 1HG1 VAL 72 1HG1 VAL 72 -6.311 2.133 -11.467 304 2HG1 VAL 72 2HG1 VAL 72 -5.979 3.200 -12.841 305 3HG1 VAL 72 3HG1 VAL 72 -6.685 1.600 -13.121 306 1HG2 VAL 72 1HG2 VAL 72 -3.737 3.440 -11.957 307 2HG2 VAL 72 2HG2 VAL 72 -3.768 2.171 -10.719 308 3HG2 VAL 72 3HG2 VAL 72 -2.582 2.106 -12.055 309 H ARG 73 H ARG 73 -3.792 -0.976 -14.560 310 HA ARG 73 HA ARG 73 -1.108 -1.741 -13.594 311 1HB ARG 73 2HB ARG 73 -1.332 -3.942 -14.618 312 2HB ARG 73 3HB ARG 73 -2.588 -3.741 -13.379 313 1HG ARG 73 2HG ARG 73 -4.274 -3.288 -15.092 314 2HG ARG 73 3HG ARG 73 -3.046 -3.459 -16.359 315 1HD ARG 73 2HD ARG 73 -2.608 -5.835 -15.410 316 2HD ARG 73 3HD ARG 73 -4.041 -5.590 -14.427 317 HE ARG 73 HE ARG 73 -5.387 -5.944 -16.233 318 1HH1 ARG 73 2HH2 ARG 73 -2.146 -5.211 -17.399 319 2HH1 ARG 73 1HH2 ARG 73 -2.439 -5.676 -19.046 320 1HH2 ARG 73 1HH1 ARG 73 -5.850 -6.528 -18.428 321 2HH2 ARG 73 2HH1 ARG 73 -4.621 -6.412 -19.645 322 H ASP 74 H ASP 74 0.496 -1.795 -15.330 323 HA ASP 74 HA ASP 74 -0.518 -0.269 -17.706 324 1HB ASP 74 2HB ASP 74 2.305 -0.648 -16.683 325 2HB ASP 74 3HB ASP 74 1.806 0.325 -18.044 326 HA PRO 75 HA PRO 75 0.054 -3.978 -20.070 327 1HB PRO 75 2HB PRO 75 0.305 -3.087 -22.622 328 2HB PRO 75 3HB PRO 75 -1.160 -2.772 -21.658 329 1HG PRO 75 2HG PRO 75 1.216 -0.919 -22.015 330 2HG PRO 75 3HG PRO 75 -0.507 -0.544 -22.317 331 1HD PRO 75 2HD PRO 75 0.697 0.070 -19.957 332 2HD PRO 75 3HD PRO 75 -0.992 -0.510 -19.993 333 H ASN 76 H ASN 76 2.325 -3.349 -18.627 334 HA ASN 76 HA ASN 76 4.641 -3.957 -20.431 335 1HB ASN 76 2HB ASN 76 4.530 -2.810 -17.608 336 2HB ASN 76 3HB ASN 76 5.997 -3.376 -18.420 337 1HD2 ASN 76 1HD2 ASN 76 3.336 -0.962 -18.731 338 2HD2 ASN 76 2HD2 ASN 76 4.311 0.170 -19.648 339 H SER 77 H SER 77 2.877 -4.844 -17.483 340 HA SER 77 HA SER 77 2.295 -6.997 -16.850 341 1HB SER 77 2HB SER 77 5.018 -8.054 -17.686 342 2HB SER 77 3HB SER 77 3.631 -8.951 -17.064 343 HG SER 77 HG SER 77 3.909 -7.631 -19.535 344 H LEU 78 H LEU 78 5.264 -5.232 -16.339 345 HA LEU 78 HA LEU 78 5.341 -6.089 -13.481 346 1HB LEU 78 2HB LEU 78 7.671 -5.365 -13.520 347 2HB LEU 78 3HB LEU 78 7.292 -6.808 -14.434 348 HG LEU 78 HG LEU 78 9.018 -5.242 -15.379 349 1HD1 LEU 78 1HD1 LEU 78 8.480 -5.640 -17.678 350 2HD1 LEU 78 2HD1 LEU 78 8.044 -7.048 -16.700 351 3HD1 LEU 78 3HD1 LEU 78 6.787 -5.956 -17.307 352 1HD2 LEU 78 1HD2 LEU 78 6.638 -3.508 -16.137 353 2HD2 LEU 78 2HD2 LEU 78 7.997 -3.095 -15.063 354 3HD2 LEU 78 3HD2 LEU 78 8.279 -3.363 -16.786 355 H HIS 79 H HID 79 3.463 -4.081 -14.488 356 HA HIS 79 HA HID 79 4.278 -1.937 -12.612 357 1HB HIS 79 2HB HID 79 3.917 -1.694 -15.546 358 2HB HIS 79 3HB HID 79 2.827 -0.675 -14.585 359 HD1 HIS 79 1HD HID 79 3.662 1.611 -14.539 360 HD2 HIS 79 2HD HID 79 6.702 -1.270 -14.508 361 HE1 HIS 79 1HE HID 79 5.890 2.893 -14.282 362 H VAL 80 H VAL 80 2.782 -2.306 -11.056 363 HA VAL 80 HA VAL 80 -0.067 -2.178 -11.792 364 HB VAL 80 HB VAL 80 -0.106 -3.976 -9.733 365 1HG1 VAL 80 1HG1 VAL 80 -0.770 -5.676 -11.395 366 2HG1 VAL 80 2HG1 VAL 80 -1.551 -4.103 -11.564 367 3HG1 VAL 80 3HG1 VAL 80 -0.228 -4.578 -12.680 368 1HG2 VAL 80 1HG2 VAL 80 2.124 -4.977 -11.587 369 2HG2 VAL 80 2HG2 VAL 80 2.323 -4.517 -9.877 370 3HG2 VAL 80 3HG2 VAL 80 1.303 -5.877 -10.320 371 H GLN 81 H GLN 81 -1.144 -0.765 -10.405 372 HA GLN 81 HA GLN 81 0.033 -0.421 -7.713 373 1HB GLN 81 2HB GLN 81 -0.112 2.082 -7.987 374 2HB GLN 81 3HB GLN 81 1.223 1.307 -8.862 375 1HG GLN 81 2HG GLN 81 0.184 1.505 -10.962 376 2HG GLN 81 3HG GLN 81 -1.397 1.819 -10.228 377 1HE2 GLN 81 1HE2 GLN 81 -2.041 3.929 -10.085 378 2HE2 GLN 81 2HE2 GLN 81 -0.939 5.286 -10.208 379 H PHE 82 H PHE 82 -1.384 0.635 -6.241 380 HA PHE 82 HA PHE 82 -4.223 0.791 -6.997 381 1HB PHE 82 2HB PHE 82 -4.825 -0.992 -5.333 382 2HB PHE 82 3HB PHE 82 -4.007 -1.601 -6.757 383 HD1 PHE 82 1HD PHE 82 -3.427 -0.641 -3.187 384 HD2 PHE 82 2HD PHE 82 -2.044 -2.942 -6.561 385 HE1 PHE 82 1HE PHE 82 -1.866 -1.886 -1.709 386 HE2 PHE 82 2HE PHE 82 -0.528 -4.200 -5.073 387 HZ PHE 82 HZ PHE 82 -0.520 -3.736 -2.616 388 H ALA 83 H ALA 83 -5.532 1.395 -5.112 389 HA ALA 83 HA ALA 83 -3.954 2.982 -3.159 390 1HB ALA 83 1HB ALA 83 -5.422 4.268 -4.775 391 2HB ALA 83 2HB ALA 83 -6.821 3.490 -3.989 392 3HB ALA 83 3HB ALA 83 -5.720 4.520 -3.057 393 H VAL 84 H VAL 84 -4.515 2.788 -1.004 394 HA VAL 84 HA VAL 84 -6.497 0.637 -0.280 395 HB VAL 84 HB VAL 84 -3.866 1.032 1.195 396 1HG1 VAL 84 1HG1 VAL 84 -5.828 -1.310 1.112 397 2HG1 VAL 84 2HG1 VAL 84 -4.399 -1.160 2.153 398 3HG1 VAL 84 3HG1 VAL 84 -5.786 -0.093 2.395 399 1HG2 VAL 84 1HG2 VAL 84 -3.208 0.264 -1.011 400 2HG2 VAL 84 2HG2 VAL 84 -3.114 -1.089 0.127 401 3HG2 VAL 84 3HG2 VAL 84 -4.488 -0.983 -0.995 402 H HIS 85 H HID 85 -7.751 1.112 1.573 403 HA HIS 85 HA HID 85 -7.178 3.638 3.003 404 1HB HIS 85 2HB HID 85 -9.305 4.578 2.619 405 2HB HIS 85 3HB HID 85 -8.697 4.120 1.031 406 HD1 HIS 85 1HD HID 85 -11.829 4.143 2.675 407 HD2 HIS 85 2HD HID 85 -9.674 1.335 0.421 408 HE1 HIS 85 1HE HID 85 -13.499 2.355 1.957 409 H ASP 86 H ASP 86 -8.661 3.884 4.868 410 HA ASP 86 HA ASP 86 -9.195 1.222 6.147 411 1HB ASP 86 2HB ASP 86 -7.438 3.176 6.926 412 2HB ASP 86 3HB ASP 86 -8.903 3.660 7.789 413 H SER 87 H SER 87 -10.889 3.314 4.516 414 HA SER 87 HA SER 87 -12.902 4.352 4.530 415 1HB SER 87 2HB SER 87 -13.608 1.983 5.022 416 2HB SER 87 3HB SER 87 -13.668 2.412 6.744 417 HG SER 87 HG SER 87 -15.117 4.106 6.146 418 H LEU 88 H LEU 88 -10.779 5.348 6.378 419 HA LEU 88 HA LEU 88 -12.441 6.920 8.309 420 1HB LEU 88 2HB LEU 88 -9.780 5.542 8.523 421 2HB LEU 88 3HB LEU 88 -10.026 6.983 9.490 422 HG LEU 88 HG LEU 88 -12.126 4.814 9.559 423 1HD1 LEU 88 1HD1 LEU 88 -10.926 3.862 11.532 424 2HD1 LEU 88 2HD1 LEU 88 -10.071 3.610 10.004 425 3HD1 LEU 88 3HD1 LEU 88 -9.515 4.867 11.131 426 1HD2 LEU 88 1HD2 LEU 88 -11.089 6.842 11.605 427 2HD2 LEU 88 2HD2 LEU 88 -12.539 7.070 10.609 428 3HD2 LEU 88 3HD2 LEU 88 -12.486 5.767 11.810 429 H GLY 89 H GLY 89 -12.032 7.654 5.552 430 1HA GLY 89 1HA GLY 89 -11.526 9.561 4.367 431 2HA GLY 89 2HA GLY 89 -11.395 10.379 5.932 432 H GLY 90 H GLY 90 -9.389 7.668 4.723 433 1HA GLY 90 1HA GLY 90 -7.250 9.422 3.823 434 2HA GLY 90 2HA GLY 90 -6.853 8.419 5.235 435 H GLU 91 H GLU 91 -6.544 8.465 2.002 436 HA GLU 91 HA GLU 91 -6.569 5.533 1.716 437 1HB GLU 91 2HB GLU 91 -8.512 6.393 0.474 438 2HB GLU 91 3HB GLU 91 -7.496 7.581 -0.359 439 1HG GLU 91 2HG GLU 91 -6.328 5.927 -1.552 440 2HG GLU 91 3HG GLU 91 -6.924 4.601 -0.540 441 H ILE 92 H ILE 92 -4.581 4.858 1.054 442 HA ILE 92 HA ILE 92 -2.526 6.899 0.348 443 HB ILE 92 HB ILE 92 -2.221 5.800 2.577 444 1HG1 ILE 92 2HG1 ILE 92 0.090 5.167 2.373 445 2HG1 ILE 92 3HG1 ILE 92 -0.029 4.977 0.623 446 1HG2 ILE 92 1HG2 ILE 92 -1.574 3.460 2.730 447 2HG2 ILE 92 2HG2 ILE 92 -3.187 3.581 2.034 448 3HG2 ILE 92 3HG2 ILE 92 -1.797 3.226 0.990 449 1HD1 ILE 92 1HD1 ILE 92 -0.337 7.397 0.353 450 2HD1 ILE 92 2HD1 ILE 92 -0.585 7.569 2.105 451 3HD1 ILE 92 3HD1 ILE 92 1.017 7.148 1.462 452 H LEU 93 H LEU 93 -0.762 5.912 -1.113 453 HA LEU 93 HA LEU 93 -2.109 4.188 -3.135 454 1HB LEU 93 2HB LEU 93 -0.915 6.868 -3.312 455 2HB LEU 93 3HB LEU 93 -0.077 5.760 -4.398 456 HG LEU 93 HG LEU 93 -3.101 6.070 -4.378 457 1HD1 LEU 93 1HD1 LEU 93 -2.779 7.552 -6.342 458 2HD1 LEU 93 2HD1 LEU 93 -2.058 8.250 -4.881 459 3HD1 LEU 93 3HD1 LEU 93 -1.019 7.487 -6.106 460 1HD2 LEU 93 1HD2 LEU 93 -2.171 4.002 -5.458 461 2HD2 LEU 93 2HD2 LEU 93 -2.911 5.088 -6.640 462 3HD2 LEU 93 3HD2 LEU 93 -1.143 5.010 -6.487 463 H VAL 94 H VAL 94 -0.962 2.439 -3.805 464 HA VAL 94 HA VAL 94 1.793 2.039 -2.729 465 HB VAL 94 HB VAL 94 -0.581 0.157 -2.841 466 1HG1 VAL 94 1HG1 VAL 94 1.485 -1.103 -3.238 467 2HG1 VAL 94 2HG1 VAL 94 2.272 -0.281 -1.869 468 3HG1 VAL 94 3HG1 VAL 94 0.927 -1.413 -1.589 469 1HG2 VAL 94 1HG2 VAL 94 -0.454 0.139 -0.389 470 2HG2 VAL 94 2HG2 VAL 94 0.857 1.339 -0.428 471 3HG2 VAL 94 3HG2 VAL 94 -0.780 1.770 -0.970 472 H THR 95 H THR 95 3.225 1.341 -4.255 473 HA THR 95 HA THR 95 2.173 0.595 -6.946 474 HB THR 95 HB THR 95 4.428 1.325 -7.731 475 HG1 THR 95 1HG THR 95 5.562 1.101 -5.773 476 1HG2 THR 95 1HG2 THR 95 2.516 2.941 -7.747 477 2HG2 THR 95 2HG2 THR 95 2.969 3.468 -6.112 478 3HG2 THR 95 3HG2 THR 95 4.075 3.735 -7.468 479 H TYR 96 H TYR 96 3.070 -1.205 -8.030 480 HA TYR 96 HA TYR 96 4.719 -3.113 -6.497 481 1HB TYR 96 2HB TYR 96 2.192 -3.257 -6.049 482 2HB TYR 96 3HB TYR 96 1.990 -3.738 -7.722 483 HD1 TYR 96 HD1 TYR 96 3.938 -5.766 -8.254 484 HD2 TYR 96 HD2 TYR 96 1.650 -5.063 -4.708 485 HE1 TYR 96 HE1 TYR 96 4.305 -8.102 -7.584 486 HE2 TYR 96 HE2 TYR 96 1.764 -7.489 -4.219 487 HH TYR 96 HH TYR 96 3.438 -9.348 -4.668 488 H ASP 97 H ASP 97 6.069 -4.273 -7.939 489 HA ASP 97 HA ASP 97 5.762 -3.737 -10.832 490 1HB ASP 97 2HB ASP 97 8.212 -3.432 -10.736 491 2HB ASP 97 3HB ASP 97 7.348 -2.272 -9.734 492 H ASP 98 H ASP 98 4.711 -6.175 -9.861 493 HA ASP 98 HA ASP 98 6.226 -8.073 -11.343 494 1HB ASP 98 2HB ASP 98 7.418 -7.755 -8.921 495 2HB ASP 98 3HB ASP 98 6.214 -8.927 -8.433 496 H LEU 99 H LEU 99 3.726 -7.530 -11.873 497 HA LEU 99 HA LEU 99 1.533 -7.965 -11.822 498 1HB LEU 99 2HB LEU 99 2.569 -10.790 -11.411 499 2HB LEU 99 3HB LEU 99 0.933 -10.354 -11.933 500 HG LEU 99 HG LEU 99 2.159 -9.007 -13.813 501 1HD1 LEU 99 1HD1 LEU 99 4.501 -9.613 -13.120 502 2HD1 LEU 99 2HD1 LEU 99 4.078 -11.328 -13.263 503 3HD1 LEU 99 3HD1 LEU 99 4.099 -10.287 -14.699 504 1HD2 LEU 99 1HD2 LEU 99 1.834 -10.944 -15.289 505 2HD2 LEU 99 2HD2 LEU 99 1.663 -11.995 -13.865 506 3HD2 LEU 99 3HD2 LEU 99 0.478 -10.705 -14.177 507 H LEU 100 H LEU 100 0.153 -10.148 -10.161 508 HA LEU 100 HA LEU 100 0.427 -9.217 -7.431 509 1HB LEU 100 2HB LEU 100 -2.058 -8.731 -9.154 510 2HB LEU 100 3HB LEU 100 -2.098 -8.661 -7.397 511 HG LEU 100 HG LEU 100 -0.547 -6.785 -9.221 512 1HD1 LEU 100 1HD1 LEU 100 -2.182 -5.123 -8.567 513 2HD1 LEU 100 2HD1 LEU 100 -3.047 -6.538 -9.206 514 3HD1 LEU 100 3HD1 LEU 100 -2.941 -6.268 -7.448 515 1HD2 LEU 100 1HD2 LEU 100 -0.168 -5.456 -7.163 516 2HD2 LEU 100 2HD2 LEU 100 -0.934 -6.731 -6.183 517 3HD2 LEU 100 3HD2 LEU 100 0.581 -7.049 -7.045 518 HA PRO 101 HA PRO 101 -0.947 -13.427 -7.058 519 1HB PRO 101 2HB PRO 101 -2.146 -13.535 -4.585 520 2HB PRO 101 3HB PRO 101 -0.404 -13.296 -4.836 521 1HG PRO 101 2HG PRO 101 -2.454 -11.113 -4.301 522 2HG PRO 101 3HG PRO 101 -0.885 -11.384 -3.516 523 1HD PRO 101 2HD PRO 101 -1.188 -9.627 -5.579 524 2HD PRO 101 3HD PRO 101 0.302 -10.597 -5.412 525 H ASP 102 H ASP 102 -3.799 -12.347 -5.229 526 HA ASP 102 HA ASP 102 -5.589 -13.619 -6.984 527 1HB ASP 102 2HB ASP 102 -6.206 -11.543 -4.834 528 2HB ASP 102 3HB ASP 102 -7.245 -12.865 -5.388 529 H LEU 103 H LEU 103 -4.248 -11.721 -8.564 530 HA LEU 103 HA LEU 103 -4.074 -9.746 -9.512 531 1HB LEU 103 2HB LEU 103 -5.512 -9.389 -11.270 532 2HB LEU 103 3HB LEU 103 -5.531 -11.121 -10.989 533 HG LEU 103 HG LEU 103 -7.681 -9.798 -9.479 534 1HD1 LEU 103 1HD1 LEU 103 -7.689 -9.324 -12.479 535 2HD1 LEU 103 2HD1 LEU 103 -9.034 -9.019 -11.357 536 3HD1 LEU 103 3HD1 LEU 103 -7.544 -8.076 -11.221 537 1HD2 LEU 103 1HD2 LEU 103 -7.646 -12.199 -10.044 538 2HD2 LEU 103 2HD2 LEU 103 -9.087 -11.401 -10.706 539 3HD2 LEU 103 3HD2 LEU 103 -7.729 -11.798 -11.775 540 H PHE 104 H PHE 104 -5.415 -9.427 -6.694 541 HA PHE 104 HA PHE 104 -6.390 -7.897 -5.401 542 1HB PHE 104 2HB PHE 104 -5.109 -6.146 -7.429 543 2HB PHE 104 3HB PHE 104 -6.566 -5.513 -6.744 544 HD1 PHE 104 1HD PHE 104 -3.766 -7.505 -5.144 545 HD2 PHE 104 2HD PHE 104 -6.006 -3.801 -5.245 546 HE1 PHE 104 1HE PHE 104 -2.611 -6.723 -3.118 547 HE2 PHE 104 2HE PHE 104 -4.898 -3.082 -3.196 548 HZ PHE 104 HZ PHE 104 -3.137 -4.478 -2.182 549 H ARG 105 H ARG 105 -8.438 -8.874 -5.438 550 HA ARG 105 HA ARG 105 -10.364 -7.758 -7.514 551 1HB ARG 105 2HB ARG 105 -10.595 -9.995 -5.467 552 2HB ARG 105 3HB ARG 105 -11.817 -9.551 -6.649 553 1HG ARG 105 2HG ARG 105 -9.399 -10.099 -8.094 554 2HG ARG 105 3HG ARG 105 -9.667 -11.421 -6.954 555 1HD ARG 105 2HD ARG 105 -11.649 -10.295 -8.958 556 2HD ARG 105 3HD ARG 105 -10.799 -11.852 -9.110 557 HE ARG 105 HE ARG 105 -12.032 -12.156 -6.718 558 1HH1 ARG 105 2HH2 ARG 105 -13.264 -11.203 -9.877 559 2HH1 ARG 105 1HH2 ARG 105 -14.898 -11.712 -9.588 560 1HH2 ARG 105 1HH1 ARG 105 -14.190 -12.884 -6.297 561 2HH2 ARG 105 2HH1 ARG 105 -15.421 -12.731 -7.506 562 H GLU 106 H GLU 106 -9.422 -6.142 -5.054 563 HA GLU 106 HA GLU 106 -10.408 -4.477 -4.138 564 1HB GLU 106 2HB GLU 106 -12.569 -5.033 -6.173 565 2HB GLU 106 3HB GLU 106 -12.014 -3.492 -5.482 566 1HG GLU 106 2HG GLU 106 -10.383 -5.278 -7.314 567 2HG GLU 106 3HG GLU 106 -11.084 -3.710 -7.694 568 H GLY 107 H GLY 107 -12.066 -3.348 -2.813 569 1HA GLY 107 1HA GLY 107 -13.657 -3.310 -1.192 570 2HA GLY 107 2HA GLY 107 -14.526 -4.483 -2.191 571 H GLN 108 H GLN 108 -11.390 -5.249 -0.825 572 HA GLN 108 HA GLN 108 -12.491 -6.902 1.362 573 1HB GLN 108 2HB GLN 108 -11.185 -8.810 0.606 574 2HB GLN 108 3HB GLN 108 -12.244 -8.305 -0.720 575 1HG GLN 108 2HG GLN 108 -10.265 -7.032 -1.702 576 2HG GLN 108 3HG GLN 108 -9.257 -7.730 -0.424 577 1HE2 GLN 108 1HE2 GLN 108 -8.218 -8.298 -2.701 578 2HE2 GLN 108 2HE2 GLN 108 -8.603 -9.946 -3.196 579 H GLY 109 H GLY 109 -10.566 -7.544 2.786 580 1HA GLY 109 1HA GLY 109 -8.658 -5.280 2.881 581 2HA GLY 109 2HA GLY 109 -8.976 -6.372 4.181 582 H ILE 110 H ILE 110 -6.481 -5.501 2.880 583 HA ILE 110 HA ILE 110 -5.307 -8.141 2.461 584 HB ILE 110 HB ILE 110 -4.078 -7.581 0.459 585 1HG1 ILE 110 2HG1 ILE 110 -4.908 -5.287 -0.678 586 2HG1 ILE 110 3HG1 ILE 110 -4.932 -4.777 1.005 587 1HG2 ILE 110 1HG2 ILE 110 -6.926 -6.683 -0.130 588 2HG2 ILE 110 2HG2 ILE 110 -5.761 -7.422 -1.242 589 3HG2 ILE 110 3HG2 ILE 110 -6.447 -8.374 0.079 590 1HD1 ILE 110 1HD1 ILE 110 -2.621 -6.072 -0.539 591 2HD1 ILE 110 2HD1 ILE 110 -2.741 -4.364 -0.013 592 3HD1 ILE 110 3HD1 ILE 110 -2.536 -5.648 1.176 593 H VAL 111 H VAL 111 -2.943 -7.999 2.872 594 HA VAL 111 HA VAL 111 -2.141 -5.436 4.163 595 HB VAL 111 HB VAL 111 -1.072 -6.496 5.929 596 1HG1 VAL 111 1HG1 VAL 111 -2.914 -7.361 7.211 597 2HG1 VAL 111 2HG1 VAL 111 -3.532 -6.084 6.153 598 3HG1 VAL 111 3HG1 VAL 111 -3.820 -7.786 5.749 599 1HG2 VAL 111 1HG2 VAL 111 -0.299 -8.622 4.909 600 2HG2 VAL 111 2HG2 VAL 111 -1.214 -8.943 6.384 601 3HG2 VAL 111 3HG2 VAL 111 -1.983 -9.186 4.806 602 H ALA 112 H ALA 112 -0.425 -4.563 3.277 603 HA ALA 112 HA ALA 112 1.147 -6.140 1.297 604 1HB ALA 112 1HB ALA 112 -0.408 -4.426 0.340 605 2HB ALA 112 2HB ALA 112 0.486 -3.191 1.220 606 3HB ALA 112 3HB ALA 112 1.312 -4.135 -0.018 607 H GLN 113 H GLN 113 3.313 -6.236 1.630 608 HA GLN 113 HA GLN 113 4.520 -4.437 3.665 609 1HB GLN 113 2HB GLN 113 4.664 -6.660 4.403 610 2HB GLN 113 3HB GLN 113 5.043 -7.321 2.870 611 1HG GLN 113 2HG GLN 113 7.293 -6.546 2.875 612 2HG GLN 113 3HG GLN 113 6.978 -5.353 4.143 613 1HE2 GLN 113 1HE2 GLN 113 6.986 -8.986 3.635 614 2HE2 GLN 113 2HE2 GLN 113 7.469 -9.334 5.245 615 H GLY 114 H GLY 114 6.218 -3.109 3.116 616 1HA GLY 114 1HA GLY 114 7.722 -3.457 0.661 617 2HA GLY 114 2HA GLY 114 6.389 -2.272 0.538 618 H VAL 115 H VAL 115 8.445 -1.039 0.001 619 HA VAL 115 HA VAL 115 9.347 0.364 2.450 620 HB VAL 115 HB VAL 115 11.256 -0.899 1.995 621 1HG1 VAL 115 1HG1 VAL 115 10.932 -0.265 -0.970 622 2HG1 VAL 115 2HG1 VAL 115 12.314 -1.111 -0.244 623 3HG1 VAL 115 3HG1 VAL 115 10.714 -1.855 -0.202 624 1HG2 VAL 115 1HG2 VAL 115 12.957 0.637 1.382 625 2HG2 VAL 115 2HG2 VAL 115 11.830 1.645 0.461 626 3HG2 VAL 115 3HG2 VAL 115 11.707 1.548 2.231 627 H LEU 116 H LEU 116 9.524 2.471 2.366 628 HA LEU 116 HA LEU 116 7.988 3.822 0.233 629 1HB LEU 116 2HB LEU 116 9.505 4.851 2.629 630 2HB LEU 116 3HB LEU 116 8.503 5.834 1.534 631 HG LEU 116 HG LEU 116 6.651 4.027 2.237 632 1HD1 LEU 116 1HD1 LEU 116 6.898 3.672 4.761 633 2HD1 LEU 116 2HD1 LEU 116 7.931 2.652 3.760 634 3HD1 LEU 116 3HD1 LEU 116 8.609 4.079 4.585 635 1HD2 LEU 116 1HD2 LEU 116 7.540 6.440 3.868 636 2HD2 LEU 116 2HD2 LEU 116 6.441 6.427 2.464 637 3HD2 LEU 116 3HD2 LEU 116 5.964 5.636 3.983 638 H GLY 117 H GLY 117 8.868 5.045 -1.425 639 1HA GLY 117 1HA GLY 117 11.723 5.809 -1.348 640 2HA GLY 117 2HA GLY 117 11.309 4.566 -2.546 641 H GLU 118 H GLU 118 9.242 7.225 -1.445 642 HA GLU 118 HA GLU 118 9.665 8.872 -3.824 643 1HB GLU 118 2HB GLU 118 8.321 7.043 -4.699 644 2HB GLU 118 3HB GLU 118 7.122 7.221 -3.415 645 1HG GLU 118 2HG GLU 118 6.379 9.304 -4.297 646 2HG GLU 118 3HG GLU 118 7.806 9.460 -5.331 647 H ASP 119 H ASP 119 9.924 9.155 -0.923 648 HA ASP 119 HA ASP 119 9.168 10.413 0.888 649 1HB ASP 119 2HB ASP 119 9.059 12.361 -1.433 650 2HB ASP 119 3HB ASP 119 9.246 12.779 0.278 651 H GLY 120 H GLY 120 7.042 8.845 0.131 652 1HA GLY 120 1HA GLY 120 4.736 9.907 1.228 653 2HA GLY 120 2HA GLY 120 4.684 10.407 -0.468 654 H LYS 121 H LYS 121 5.565 8.397 -1.957 655 HA LYS 121 HA LYS 121 3.377 6.461 -1.600 656 1HB LYS 121 2HB LYS 121 4.830 7.618 -3.841 657 2HB LYS 121 3HB LYS 121 4.828 5.860 -3.964 658 1HG LYS 121 2HG LYS 121 2.933 6.645 -5.131 659 2HG LYS 121 3HG LYS 121 2.346 5.900 -3.644 660 1HD LYS 121 2HD LYS 121 1.142 7.811 -3.385 661 2HD LYS 121 3HD LYS 121 2.647 8.528 -2.815 662 1HE LYS 121 2HE LYS 121 3.156 9.348 -5.089 663 2HE LYS 121 3HE LYS 121 1.718 8.541 -5.734 664 1HZ LYS 121 1HZ LYS 121 1.333 10.851 -5.365 665 2HZ LYS 121 2HZ LYS 121 0.376 9.981 -4.347 666 3HZ LYS 121 3HZ LYS 121 1.720 10.735 -3.770 667 H LEU 122 H LEU 122 3.729 4.122 -2.101 668 HA LEU 122 HA LEU 122 6.141 3.148 -0.633 669 1HB LEU 122 2HB LEU 122 3.281 2.139 -0.394 670 2HB LEU 122 3HB LEU 122 4.708 1.575 0.473 671 HG LEU 122 HG LEU 122 4.676 4.317 1.067 672 1HD1 LEU 122 1HD1 LEU 122 2.443 4.867 1.787 673 2HD1 LEU 122 2HD1 LEU 122 2.483 4.611 0.039 674 3HD1 LEU 122 3HD1 LEU 122 1.807 3.354 1.102 675 1HD2 LEU 122 1HD2 LEU 122 3.973 3.597 3.297 676 2HD2 LEU 122 2HD2 LEU 122 3.337 2.071 2.647 677 3HD2 LEU 122 3HD2 LEU 122 5.084 2.388 2.640 678 H ALA 123 H ALA 123 7.254 1.574 -1.689 679 HA ALA 123 HA ALA 123 6.001 0.214 -4.021 680 1HB ALA 123 1HB ALA 123 8.287 -0.533 -4.491 681 2HB ALA 123 2HB ALA 123 8.186 1.238 -4.404 682 3HB ALA 123 3HB ALA 123 8.879 0.320 -3.048 683 H ALA 124 H ALA 124 4.845 -1.553 -3.390 684 HA ALA 124 HA ALA 124 5.982 -3.338 -1.269 685 1HB ALA 124 1HB ALA 124 3.766 -3.523 -0.249 686 2HB ALA 124 2HB ALA 124 4.261 -1.815 -0.256 687 3HB ALA 124 3HB ALA 124 3.093 -2.418 -1.447 688 H THR 125 H THR 125 6.555 -5.015 -2.449 689 HA THR 125 HA THR 125 4.761 -6.145 -4.467 690 HB THR 125 HB THR 125 7.098 -5.987 -4.995 691 HG1 THR 125 1HG THR 125 6.044 -7.711 -5.905 692 1HG2 THR 125 1HG2 THR 125 8.775 -7.408 -3.893 693 2HG2 THR 125 2HG2 THR 125 8.152 -6.203 -2.764 694 3HG2 THR 125 3HG2 THR 125 7.599 -7.892 -2.662 695 H GLU 126 H GLU 126 5.448 -6.662 -1.026 696 HA GLU 126 HA GLU 126 4.535 -9.492 -1.160 697 1HB GLU 126 2HB GLU 126 5.669 -7.663 0.939 698 2HB GLU 126 3HB GLU 126 4.942 -9.235 1.346 699 1HG GLU 126 2HG GLU 126 6.769 -9.768 -0.758 700 2HG GLU 126 3HG GLU 126 7.592 -8.599 0.277 701 H VAL 127 H VAL 127 2.363 -8.866 -2.009 702 HA VAL 127 HA VAL 127 0.564 -7.757 0.099 703 HB VAL 127 HB VAL 127 -1.138 -7.555 -1.474 704 1HG1 VAL 127 1HG1 VAL 127 0.228 -5.678 -1.372 705 2HG1 VAL 127 2HG1 VAL 127 1.509 -6.361 -2.363 706 3HG1 VAL 127 3HG1 VAL 127 -0.059 -5.942 -3.091 707 1HG2 VAL 127 1HG2 VAL 127 -1.143 -9.269 -2.930 708 2HG2 VAL 127 2HG2 VAL 127 -0.598 -7.963 -3.975 709 3HG2 VAL 127 3HG2 VAL 127 0.580 -9.148 -3.349 710 H LEU 128 H LEU 128 -0.456 -9.029 1.443 711 HA LEU 128 HA LEU 128 -1.047 -11.862 0.673 712 1HB LEU 128 2HB LEU 128 -0.851 -10.712 3.473 713 2HB LEU 128 3HB LEU 128 -1.035 -12.388 2.974 714 HG LEU 128 HG LEU 128 1.129 -12.199 3.757 715 1HD1 LEU 128 1HD1 LEU 128 2.582 -12.731 1.909 716 2HD1 LEU 128 2HD1 LEU 128 0.983 -13.449 1.622 717 3HD1 LEU 128 3HD1 LEU 128 1.480 -11.983 0.747 718 1HD2 LEU 128 1HD2 LEU 128 1.358 -9.728 3.742 719 2HD2 LEU 128 2HD2 LEU 128 2.804 -10.589 3.199 720 3HD2 LEU 128 3HD2 LEU 128 1.762 -9.802 2.018 721 H ALA 129 H ALA 129 -3.157 -11.965 0.051 722 HA ALA 129 HA ALA 129 -5.059 -9.887 0.960 723 1HB ALA 129 1HB ALA 129 -5.212 -11.916 -1.299 724 2HB ALA 129 2HB ALA 129 -6.355 -10.592 -1.008 725 3HB ALA 129 3HB ALA 129 -4.678 -10.228 -1.458 726 H LYS 130 H LYS 130 -4.349 -12.182 2.730 727 HA LYS 130 HA LYS 130 -6.379 -14.180 2.391 728 1HB LYS 130 2HB LYS 130 -5.232 -15.332 4.086 729 2HB LYS 130 3HB LYS 130 -4.030 -14.521 3.092 730 1HG LYS 130 2HG LYS 130 -4.599 -12.648 5.155 731 2HG LYS 130 3HG LYS 130 -4.733 -14.211 5.938 732 1HD LYS 130 2HD LYS 130 -2.327 -14.490 4.520 733 2HD LYS 130 3HD LYS 130 -2.374 -12.748 4.828 734 1HE LYS 130 2HE LYS 130 -1.198 -13.754 6.659 735 2HE LYS 130 3HE LYS 130 -2.778 -13.251 7.274 736 1HZ LYS 130 1HZ LYS 130 -2.000 -15.989 6.465 737 2HZ LYS 130 2HZ LYS 130 -2.261 -15.466 8.002 738 3HZ LYS 130 3HZ LYS 130 -3.511 -15.586 6.934 739 H HIS 131 H HID 131 -7.797 -11.799 2.796 740 HA HIS 131 HA HID 131 -8.822 -11.805 5.580 741 1HB HIS 131 2HB HID 131 -9.371 -10.214 3.080 742 2HB HIS 131 3HB HID 131 -10.678 -10.409 4.243 743 HD1 HIS 131 1HD HID 131 -10.775 -8.538 5.953 744 HD2 HIS 131 2HD HID 131 -6.871 -9.538 4.735 745 HE1 HIS 131 1HE HID 131 -9.190 -7.032 7.270 746 H ASP 132 H ASP 132 -9.994 -12.704 2.322 747 HA ASP 132 HA ASP 132 -12.299 -14.135 3.383 748 1HB ASP 132 2HB ASP 132 -12.405 -13.043 1.209 749 2HB ASP 132 3HB ASP 132 -11.062 -14.027 0.599 Start of MODEL 12 1 H SER 32 H SER 32 17.082 -2.132 15.456 2 HA SER 32 HA SER 32 15.811 -4.645 16.345 3 1HB SER 32 2HB SER 32 14.559 -1.869 16.602 4 2HB SER 32 3HB SER 32 13.743 -3.416 16.919 5 HG SER 32 HG SER 32 14.577 -2.473 18.858 6 H ASN 33 H ASN 33 14.215 -5.348 14.838 7 HA ASN 33 HA ASN 33 14.562 -4.310 12.121 8 1HB ASN 33 2HB ASN 33 13.451 -6.798 13.371 9 2HB ASN 33 3HB ASN 33 12.648 -6.248 11.904 10 1HD2 ASN 33 1HD2 ASN 33 15.426 -7.942 13.061 11 2HD2 ASN 33 2HD2 ASN 33 16.224 -8.041 11.503 12 H LEU 34 H LEU 34 13.101 -3.093 11.009 13 HA LEU 34 HA LEU 34 10.585 -2.250 12.393 14 1HB LEU 34 2HB LEU 34 12.129 -0.854 10.168 15 2HB LEU 34 3HB LEU 34 10.676 -0.303 10.996 16 HG LEU 34 HG LEU 34 12.319 -0.672 13.159 17 1HD1 LEU 34 1HD1 LEU 34 14.282 -1.287 11.704 18 2HD1 LEU 34 2HD1 LEU 34 14.139 0.284 10.893 19 3HD1 LEU 34 3HD1 LEU 34 14.554 0.203 12.616 20 1HD2 LEU 34 1HD2 LEU 34 11.029 1.352 12.670 21 2HD2 LEU 34 2HD2 LEU 34 12.702 1.774 13.073 22 3HD2 LEU 34 3HD2 LEU 34 12.168 1.797 11.378 23 H ASN 35 H ASN 35 9.157 -3.902 11.679 24 HA ASN 35 HA ASN 35 8.261 -3.538 8.931 25 1HB ASN 35 2HB ASN 35 10.078 -5.191 8.572 26 2HB ASN 35 3HB ASN 35 9.341 -6.265 9.767 27 1HD2 ASN 35 1HD2 ASN 35 8.659 -7.991 8.459 28 2HD2 ASN 35 2HD2 ASN 35 7.643 -7.788 7.044 29 H LEU 36 H LEU 36 6.335 -2.811 10.205 30 HA LEU 36 HA LEU 36 4.691 -5.161 11.028 31 1HB LEU 36 2HB LEU 36 3.858 -4.178 12.917 32 2HB LEU 36 3HB LEU 36 5.599 -4.030 13.063 33 HG LEU 36 HG LEU 36 4.169 -1.652 11.868 34 1HD1 LEU 36 1HD1 LEU 36 3.864 -2.464 14.783 35 2HD1 LEU 36 2HD1 LEU 36 3.443 -0.881 14.104 36 3HD1 LEU 36 3HD1 LEU 36 2.566 -2.323 13.575 37 1HD2 LEU 36 1HD2 LEU 36 5.735 -0.417 13.257 38 2HD2 LEU 36 2HD2 LEU 36 6.271 -1.910 14.053 39 3HD2 LEU 36 3HD2 LEU 36 6.618 -1.644 12.330 40 H PHE 37 H PHE 37 2.389 -4.559 11.300 41 HA PHE 37 HA PHE 37 1.447 -3.463 8.764 42 1HB PHE 37 2HB PHE 37 -0.033 -4.803 11.035 43 2HB PHE 37 3HB PHE 37 -0.686 -4.402 9.455 44 HD1 PHE 37 1HD PHE 37 0.375 -5.476 7.367 45 HD2 PHE 37 2HD PHE 37 1.120 -6.919 11.360 46 HE1 PHE 37 1HE PHE 37 1.063 -7.690 6.450 47 HE2 PHE 37 2HE PHE 37 1.797 -9.116 10.439 48 HZ PHE 37 HZ PHE 37 1.731 -9.516 7.978 49 H TYR 38 H TYR 38 0.671 -1.444 8.519 50 HA TYR 38 HA TYR 38 -0.322 0.067 10.883 51 1HB TYR 38 2HB TYR 38 2.066 0.536 9.359 52 2HB TYR 38 3HB TYR 38 0.922 1.771 8.880 53 HD1 TYR 38 HD1 TYR 38 0.627 3.692 10.271 54 HD2 TYR 38 HD2 TYR 38 2.425 0.134 11.907 55 HE1 TYR 38 HE1 TYR 38 1.242 4.938 12.324 56 HE2 TYR 38 HE2 TYR 38 3.014 1.397 13.975 57 HH TYR 38 HH TYR 38 1.822 4.655 14.579 58 H THR 39 H THR 39 -1.943 1.575 10.492 59 HA THR 39 HA THR 39 -3.827 0.841 8.572 60 HB THR 39 HB THR 39 -3.604 3.212 10.484 61 HG1 THR 39 1HG THR 39 -4.898 0.756 10.937 62 1HG2 THR 39 1HG2 THR 39 -6.049 1.907 9.250 63 2HG2 THR 39 2HG2 THR 39 -6.075 3.096 10.568 64 3HG2 THR 39 3HG2 THR 39 -5.481 3.568 8.967 65 HA PRO 40 HA PRO 40 -2.346 3.621 5.263 66 1HB PRO 40 2HB PRO 40 -4.610 3.718 3.687 67 2HB PRO 40 3HB PRO 40 -3.406 2.405 3.683 68 1HG PRO 40 2HG PRO 40 -5.993 2.514 5.233 69 2HG PRO 40 3HG PRO 40 -5.384 1.177 4.212 70 1HD PRO 40 2HD PRO 40 -5.100 1.108 6.865 71 2HD PRO 40 3HD PRO 40 -3.697 0.649 5.846 72 H SER 41 H SER 41 -5.658 4.135 6.659 73 HA SER 41 HA SER 41 -5.804 6.850 6.045 74 1HB SER 41 2HB SER 41 -7.034 5.462 8.457 75 2HB SER 41 3HB SER 41 -7.589 6.948 7.666 76 HG SER 41 HG SER 41 -7.819 5.618 5.717 77 H GLU 42 H GLU 42 -3.813 5.349 8.532 78 HA GLU 42 HA GLU 42 -3.466 7.799 10.100 79 1HB GLU 42 2HB GLU 42 -3.031 5.489 11.009 80 2HB GLU 42 3HB GLU 42 -1.670 5.342 9.887 81 1HG GLU 42 2HG GLU 42 -0.558 6.036 11.725 82 2HG GLU 42 3HG GLU 42 -0.904 7.636 11.061 83 H ILE 43 H ILE 43 -1.620 5.940 7.666 84 HA ILE 43 HA ILE 43 0.446 7.928 7.486 85 HB ILE 43 HB ILE 43 1.437 6.440 5.765 86 1HG1 ILE 43 2HG1 ILE 43 -0.646 4.421 6.624 87 2HG1 ILE 43 3HG1 ILE 43 -0.911 5.458 5.198 88 1HG2 ILE 43 1HG2 ILE 43 2.036 4.712 7.444 89 2HG2 ILE 43 2HG2 ILE 43 2.078 6.338 8.119 90 3HG2 ILE 43 3HG2 ILE 43 0.710 5.270 8.479 91 1HD1 ILE 43 1HD1 ILE 43 1.525 3.675 5.521 92 2HD1 ILE 43 2HD1 ILE 43 0.058 3.256 4.620 93 3HD1 ILE 43 3HD1 ILE 43 1.023 4.669 4.131 94 H VAL 44 H VAL 44 -2.142 8.975 6.727 95 HA VAL 44 HA VAL 44 -1.414 10.044 4.042 96 HB VAL 44 HB VAL 44 -3.726 8.907 4.547 97 1HG1 VAL 44 1HG1 VAL 44 -5.462 10.415 5.339 98 2HG1 VAL 44 2HG1 VAL 44 -4.224 10.252 6.593 99 3HG1 VAL 44 3HG1 VAL 44 -4.312 11.720 5.592 100 1HG2 VAL 44 1HG2 VAL 44 -3.147 10.017 2.454 101 2HG2 VAL 44 2HG2 VAL 44 -4.809 10.398 2.934 102 3HG2 VAL 44 3HG2 VAL 44 -3.523 11.605 3.160 103 H ASN 45 H ASN 45 -1.878 10.793 7.481 104 HA ASN 45 HA ASN 45 -2.073 13.687 6.942 105 1HB ASN 45 2HB ASN 45 -2.173 12.060 9.515 106 2HB ASN 45 3HB ASN 45 -2.310 13.826 9.427 107 1HD2 ASN 45 1HD2 ASN 45 -4.099 10.828 9.047 108 2HD2 ASN 45 2HD2 ASN 45 -5.598 11.633 8.644 109 H GLY 46 H GLY 46 -0.408 13.246 9.819 110 1HA GLY 46 1HA GLY 46 2.009 14.537 8.744 111 2HA GLY 46 2HA GLY 46 1.553 14.296 10.439 112 H LYS 47 H LYS 47 2.316 12.398 7.519 113 HA LYS 47 HA LYS 47 4.009 10.520 9.068 114 1HB LYS 47 2HB LYS 47 1.553 9.791 7.486 115 2HB LYS 47 3HB LYS 47 2.765 8.590 7.979 116 1HG LYS 47 2HG LYS 47 1.235 10.266 10.021 117 2HG LYS 47 3HG LYS 47 0.652 8.771 9.395 118 1HD LYS 47 2HD LYS 47 1.635 7.779 11.060 119 2HD LYS 47 3HD LYS 47 3.117 7.886 10.104 120 1HE LYS 47 2HE LYS 47 3.761 9.942 11.310 121 2HE LYS 47 3HE LYS 47 2.193 9.994 12.131 122 1HZ LYS 47 1HZ LYS 47 3.863 9.103 13.541 123 2HZ LYS 47 2HZ LYS 47 2.743 7.946 13.220 124 3HZ LYS 47 3HZ LYS 47 4.217 7.891 12.479 125 H THR 48 H THR 48 3.300 9.083 6.132 126 HA THR 48 HA THR 48 5.949 9.754 5.181 127 HB THR 48 HB THR 48 4.896 7.507 5.158 128 HG1 THR 48 1HG THR 48 5.982 8.636 2.808 129 1HG2 THR 48 1HG2 THR 48 3.434 8.408 2.640 130 2HG2 THR 48 2HG2 THR 48 3.436 6.810 3.396 131 3HG2 THR 48 3HG2 THR 48 2.644 8.159 4.213 132 H ASP 49 H ASP 49 2.602 10.496 4.142 133 HA ASP 49 HA ASP 49 3.192 11.564 1.624 134 1HB ASP 49 2HB ASP 49 0.915 11.028 2.533 135 2HB ASP 49 3HB ASP 49 1.003 12.485 3.543 136 H THR 50 H THR 50 2.884 13.199 4.760 137 HA THR 50 HA THR 50 4.008 15.687 3.716 138 HB THR 50 HB THR 50 3.463 14.994 6.619 139 HG1 THR 50 1HG THR 50 1.497 14.683 5.738 140 1HG2 THR 50 1HG2 THR 50 4.692 17.152 6.171 141 2HG2 THR 50 2HG2 THR 50 3.416 17.613 5.034 142 3HG2 THR 50 3HG2 THR 50 3.045 17.443 6.760 143 H GLY 51 H GLY 51 5.283 12.798 5.307 144 1HA GLY 51 1HA GLY 51 7.420 12.072 5.501 145 2HA GLY 51 2HA GLY 51 7.975 13.501 4.622 146 H VAL 52 H VAL 52 6.180 13.241 7.721 147 HA VAL 52 HA VAL 52 8.208 15.109 8.895 148 HB VAL 52 HB VAL 52 6.612 15.707 10.538 149 1HG1 VAL 52 1HG1 VAL 52 6.507 16.753 8.272 150 2HG1 VAL 52 2HG1 VAL 52 5.273 15.566 7.817 151 3HG1 VAL 52 3HG1 VAL 52 4.938 16.741 9.101 152 1HG2 VAL 52 1HG2 VAL 52 4.874 13.518 9.365 153 2HG2 VAL 52 2HG2 VAL 52 5.437 13.659 11.047 154 3HG2 VAL 52 3HG2 VAL 52 4.257 14.812 10.420 155 H LYS 53 H LYS 53 6.742 11.988 9.623 156 HA LYS 53 HA LYS 53 8.688 11.593 11.853 157 1HB LYS 53 2HB LYS 53 5.813 10.979 11.568 158 2HB LYS 53 3HB LYS 53 6.763 9.695 12.311 159 1HG LYS 53 2HG LYS 53 6.857 12.608 13.200 160 2HG LYS 53 3HG LYS 53 5.721 11.446 13.871 161 1HD LYS 53 2HD LYS 53 8.770 11.303 14.073 162 2HD LYS 53 3HD LYS 53 7.623 11.738 15.340 163 1HE LYS 53 2HE LYS 53 6.591 9.396 15.048 164 2HE LYS 53 3HE LYS 53 7.994 8.999 14.037 165 1HZ LYS 53 1HZ LYS 53 8.102 9.827 16.859 166 2HZ LYS 53 2HZ LYS 53 8.337 8.311 16.274 167 3HZ LYS 53 3HZ LYS 53 9.408 9.500 15.909 168 HA PRO 54 HA PRO 54 9.345 7.634 9.438 169 1HB PRO 54 2HB PRO 54 7.732 6.699 7.495 170 2HB PRO 54 3HB PRO 54 7.257 6.528 9.212 171 1HG PRO 54 2HG PRO 54 6.404 8.672 7.255 172 2HG PRO 54 3HG PRO 54 5.344 7.685 8.302 173 1HD PRO 54 2HD PRO 54 6.254 10.210 8.929 174 2HD PRO 54 3HD PRO 54 5.891 8.986 10.188 175 H GLU 55 H GLU 55 10.199 7.197 7.077 176 HA GLU 55 HA GLU 55 10.182 9.585 5.380 177 1HB GLU 55 2HB GLU 55 12.403 8.822 7.142 178 2HB GLU 55 3HB GLU 55 12.901 8.690 5.454 179 1HG GLU 55 2HG GLU 55 11.524 11.163 6.574 180 2HG GLU 55 3HG GLU 55 13.277 10.921 6.606 181 H ALA 56 H ALA 56 11.157 9.151 3.319 182 HA ALA 56 HA ALA 56 10.194 6.618 2.244 183 1HB ALA 56 1HB ALA 56 10.808 7.534 0.070 184 2HB ALA 56 2HB ALA 56 10.022 8.792 1.014 185 3HB ALA 56 3HB ALA 56 11.788 8.800 0.836 186 H GLY 57 H GLY 57 11.475 4.791 1.925 187 1HA GLY 57 1HA GLY 57 13.704 3.891 1.403 188 2HA GLY 57 2HA GLY 57 14.371 4.892 2.700 189 H GLN 58 H GLN 58 11.603 4.174 4.121 190 HA GLN 58 HA GLN 58 12.844 1.970 5.665 191 1HB GLN 58 2HB GLN 58 10.668 4.008 6.192 192 2HB GLN 58 3HB GLN 58 10.998 2.662 7.301 193 1HG GLN 58 2HG GLN 58 13.095 3.445 7.911 194 2HG GLN 58 3HG GLN 58 13.368 4.283 6.386 195 1HE2 GLN 58 1HE2 GLN 58 10.614 4.649 8.723 196 2HE2 GLN 58 2HE2 GLN 58 11.002 6.336 9.045 197 H ARG 59 H ARG 59 11.746 0.089 6.249 198 HA ARG 59 HA ARG 59 9.681 -0.816 4.340 199 1HB ARG 59 2HB ARG 59 11.002 -2.361 6.598 200 2HB ARG 59 3HB ARG 59 9.927 -2.971 5.339 201 1HG ARG 59 2HG ARG 59 11.945 -1.782 3.833 202 2HG ARG 59 3HG ARG 59 12.826 -2.372 5.257 203 1HD ARG 59 2HD ARG 59 11.584 -4.619 4.876 204 2HD ARG 59 3HD ARG 59 11.056 -3.916 3.328 205 HE ARG 59 HE ARG 59 13.943 -3.821 3.809 206 1HH1 ARG 59 2HH2 ARG 59 11.306 -5.790 2.487 207 2HH1 ARG 59 1HH2 ARG 59 12.336 -6.825 1.561 208 1HH2 ARG 59 1HH1 ARG 59 15.340 -5.244 2.659 209 2HH2 ARG 59 2HH1 ARG 59 14.693 -6.514 1.675 210 H ILE 60 H ILE 60 7.560 -1.061 4.905 211 HA ILE 60 HA ILE 60 6.809 -1.473 7.645 212 HB ILE 60 HB ILE 60 4.980 0.160 7.664 213 1HG1 ILE 60 2HG1 ILE 60 6.275 1.625 5.353 214 2HG1 ILE 60 3HG1 ILE 60 4.968 0.467 5.077 215 1HG2 ILE 60 1HG2 ILE 60 6.231 2.135 8.288 216 2HG2 ILE 60 2HG2 ILE 60 7.150 0.709 8.770 217 3HG2 ILE 60 3HG2 ILE 60 7.630 1.631 7.327 218 1HD1 ILE 60 1HD1 ILE 60 3.485 1.714 6.611 219 2HD1 ILE 60 2HD1 ILE 60 4.740 2.962 6.796 220 3HD1 ILE 60 3HD1 ILE 60 4.000 2.671 5.215 221 H ARG 61 H ARG 61 4.291 -2.035 7.527 222 HA ARG 61 HA ARG 61 3.661 -3.088 4.824 223 1HB ARG 61 2HB ARG 61 2.708 -4.397 7.369 224 2HB ARG 61 3HB ARG 61 2.756 -5.033 5.723 225 1HG ARG 61 2HG ARG 61 5.320 -4.914 5.952 226 2HG ARG 61 3HG ARG 61 5.086 -4.508 7.638 227 1HD ARG 61 2HD ARG 61 3.486 -6.848 7.056 228 2HD ARG 61 3HD ARG 61 5.112 -7.124 6.443 229 HE ARG 61 HE ARG 61 5.400 -6.060 9.038 230 1HH1 ARG 61 2HH2 ARG 61 4.232 -8.979 7.470 231 2HH1 ARG 61 1HH2 ARG 61 4.728 -10.053 8.745 232 1HH2 ARG 61 1HH1 ARG 61 6.096 -7.389 10.682 233 2HH2 ARG 61 2HH1 ARG 61 5.686 -9.089 10.738 234 H VAL 62 H VAL 62 1.843 -2.185 3.999 235 HA VAL 62 HA VAL 62 0.204 -0.457 5.817 236 HB VAL 62 HB VAL 62 0.947 0.660 3.850 237 1HG1 VAL 62 1HG1 VAL 62 0.258 0.058 1.585 238 2HG1 VAL 62 2HG1 VAL 62 1.267 -1.216 2.261 239 3HG1 VAL 62 3HG1 VAL 62 -0.502 -1.428 2.159 240 1HG2 VAL 62 1HG2 VAL 62 -1.187 1.451 3.010 241 2HG2 VAL 62 2HG2 VAL 62 -2.016 -0.009 3.566 242 3HG2 VAL 62 3HG2 VAL 62 -1.332 1.130 4.750 243 H GLY 63 H GLY 63 -1.841 -1.165 6.485 244 1HA GLY 63 1HA GLY 63 -2.970 -3.586 5.109 245 2HA GLY 63 2HA GLY 63 -2.733 -3.521 6.857 246 H GLY 64 H GLY 64 -5.031 -3.266 4.478 247 1HA GLY 64 1HA GLY 64 -6.975 -1.936 6.119 248 2HA GLY 64 2HA GLY 64 -6.363 -0.833 4.873 249 H MET 65 H MET 65 -8.729 -0.978 4.221 250 HA MET 65 HA MET 65 -9.499 -3.473 2.859 251 1HB MET 65 2HB MET 65 -11.710 -2.635 2.858 252 2HB MET 65 3HB MET 65 -11.070 -2.775 4.480 253 1HG MET 65 2HG MET 65 -11.287 -0.580 4.936 254 2HG MET 65 3HG MET 65 -10.653 -0.068 3.379 255 1HE MET 65 1HE MET 65 -13.584 -0.024 0.992 256 2HE MET 65 2HE MET 65 -11.826 -0.255 1.226 257 3HE MET 65 3HE MET 65 -12.934 -1.633 1.354 258 H VAL 66 H VAL 66 -9.396 -3.640 0.766 259 HA VAL 66 HA VAL 66 -8.459 -1.423 -0.882 260 HB VAL 66 HB VAL 66 -9.460 -4.222 -1.593 261 1HG1 VAL 66 1HG1 VAL 66 -7.974 -2.077 -3.163 262 2HG1 VAL 66 2HG1 VAL 66 -8.069 -3.794 -3.636 263 3HG1 VAL 66 3HG1 VAL 66 -9.534 -2.816 -3.562 264 1HG2 VAL 66 1HG2 VAL 66 -7.067 -4.777 -1.772 265 2HG2 VAL 66 2HG2 VAL 66 -6.639 -3.167 -1.140 266 3HG2 VAL 66 3HG2 VAL 66 -7.488 -4.340 -0.113 267 H THR 67 H THR 67 -9.682 -0.329 -2.491 268 HA THR 67 HA THR 67 -12.310 0.309 -2.011 269 HB THR 67 HB THR 67 -10.879 0.556 -4.667 270 HG1 THR 67 1HG THR 67 -10.402 2.090 -2.347 271 1HG2 THR 67 1HG2 THR 67 -12.673 1.893 -5.072 272 2HG2 THR 67 2HG2 THR 67 -13.141 1.991 -3.356 273 3HG2 THR 67 3HG2 THR 67 -11.881 3.049 -4.011 274 H VAL 68 H VAL 68 -11.648 -1.189 -5.247 275 HA VAL 68 HA VAL 68 -13.481 -3.165 -5.276 276 HB VAL 68 HB VAL 68 -15.283 -1.698 -4.517 277 1HG1 VAL 68 1HG1 VAL 68 -14.328 0.477 -5.285 278 2HG1 VAL 68 2HG1 VAL 68 -14.793 0.069 -6.950 279 3HG1 VAL 68 3HG1 VAL 68 -16.033 0.253 -5.699 280 1HG2 VAL 68 1HG2 VAL 68 -16.870 -2.096 -6.210 281 2HG2 VAL 68 2HG2 VAL 68 -15.605 -2.241 -7.456 282 3HG2 VAL 68 3HG2 VAL 68 -15.715 -3.450 -6.151 283 H GLY 69 H GLY 69 -12.472 -0.205 -6.986 284 1HA GLY 69 1HA GLY 69 -11.457 -1.815 -9.233 285 2HA GLY 69 2HA GLY 69 -12.723 -0.642 -9.622 286 H SER 70 H SER 70 -10.134 -0.396 -7.165 287 HA SER 70 HA SER 70 -9.288 2.231 -8.335 288 1HB SER 70 2HB SER 70 -8.590 0.843 -5.723 289 2HB SER 70 3HB SER 70 -7.889 2.379 -6.286 290 HG SER 70 HG SER 70 -9.818 2.478 -4.870 291 H MET 71 H MET 71 -8.311 -1.141 -8.355 292 HA MET 71 HA MET 71 -5.486 -0.614 -8.542 293 1HB MET 71 2HB MET 71 -6.651 -2.755 -7.804 294 2HB MET 71 3HB MET 71 -6.978 -3.081 -9.498 295 1HG MET 71 2HG MET 71 -4.178 -2.436 -9.310 296 2HG MET 71 3HG MET 71 -4.561 -3.462 -7.929 297 1HE MET 71 1HE MET 71 -4.289 -3.152 -11.758 298 2HE MET 71 2HE MET 71 -4.902 -4.725 -12.335 299 3HE MET 71 3HE MET 71 -6.028 -3.533 -11.643 300 H VAL 72 H VAL 72 -4.384 0.101 -10.308 301 HA VAL 72 HA VAL 72 -5.558 -0.360 -13.018 302 HB VAL 72 HB VAL 72 -4.606 1.759 -13.771 303 1HG1 VAL 72 1HG1 VAL 72 -7.003 1.568 -13.161 304 2HG1 VAL 72 2HG1 VAL 72 -6.624 2.092 -11.508 305 3HG1 VAL 72 3HG1 VAL 72 -6.370 3.197 -12.870 306 1HG2 VAL 72 1HG2 VAL 72 -2.908 2.197 -12.066 307 2HG2 VAL 72 2HG2 VAL 72 -4.051 3.540 -12.159 308 3HG2 VAL 72 3HG2 VAL 72 -4.173 2.383 -10.819 309 H ARG 73 H ARG 73 -4.197 -1.280 -14.424 310 HA ARG 73 HA ARG 73 -1.404 -1.765 -13.536 311 1HB ARG 73 2HB ARG 73 -1.519 -3.902 -14.725 312 2HB ARG 73 3HB ARG 73 -2.630 -3.879 -13.347 313 1HG ARG 73 2HG ARG 73 -4.543 -3.761 -14.760 314 2HG ARG 73 3HG ARG 73 -3.598 -3.228 -16.152 315 1HD ARG 73 2HD ARG 73 -2.363 -5.510 -16.031 316 2HD ARG 73 3HD ARG 73 -3.628 -5.990 -14.904 317 HE ARG 73 HE ARG 73 -5.104 -6.177 -16.645 318 1HH1 ARG 73 2HH2 ARG 73 -2.257 -4.295 -17.827 319 2HH1 ARG 73 1HH2 ARG 73 -2.871 -4.210 -19.434 320 1HH2 ARG 73 1HH1 ARG 73 -5.843 -6.036 -18.811 321 2HH2 ARG 73 2HH1 ARG 73 -4.902 -5.227 -20.020 322 H ASP 74 H ASP 74 0.182 -1.832 -15.200 323 HA ASP 74 HA ASP 74 -0.494 -0.316 -17.617 324 1HB ASP 74 2HB ASP 74 1.958 -1.399 -16.271 325 2HB ASP 74 3HB ASP 74 2.038 -1.241 -18.010 326 HA PRO 75 HA PRO 75 -0.687 -4.039 -20.279 327 1HB PRO 75 2HB PRO 75 0.480 -3.197 -22.587 328 2HB PRO 75 3HB PRO 75 -1.111 -2.579 -22.060 329 1HG PRO 75 2HG PRO 75 1.591 -1.257 -21.706 330 2HG PRO 75 3HG PRO 75 0.082 -0.523 -22.304 331 1HD PRO 75 2HD PRO 75 0.895 -0.279 -19.710 332 2HD PRO 75 3HD PRO 75 -0.828 -0.394 -20.136 333 H ASN 76 H ASN 76 2.325 -2.246 -19.855 334 HA ASN 76 HA ASN 76 4.297 -3.850 -20.758 335 1HB ASN 76 2HB ASN 76 4.552 -2.747 -17.951 336 2HB ASN 76 3HB ASN 76 5.787 -2.834 -19.212 337 1HD2 ASN 76 1HD2 ASN 76 4.866 -0.573 -17.511 338 2HD2 ASN 76 2HD2 ASN 76 3.913 0.527 -18.467 339 H SER 77 H SER 77 2.464 -4.268 -17.800 340 HA SER 77 HA SER 77 1.966 -5.978 -16.501 341 1HB SER 77 2HB SER 77 3.607 -7.806 -18.306 342 2HB SER 77 3HB SER 77 2.438 -8.286 -17.083 343 HG SER 77 HG SER 77 1.822 -6.656 -19.347 344 H LEU 78 H LEU 78 4.630 -4.392 -16.329 345 HA LEU 78 HA LEU 78 5.336 -5.828 -13.845 346 1HB LEU 78 2HB LEU 78 7.635 -5.032 -13.965 347 2HB LEU 78 3HB LEU 78 7.228 -6.299 -15.100 348 HG LEU 78 HG LEU 78 8.791 -4.466 -15.874 349 1HD1 LEU 78 1HD1 LEU 78 8.046 -4.534 -18.146 350 2HD1 LEU 78 2HD1 LEU 78 7.672 -6.092 -17.386 351 3HD1 LEU 78 3HD1 LEU 78 6.388 -4.898 -17.662 352 1HD2 LEU 78 1HD2 LEU 78 7.848 -2.416 -16.815 353 2HD2 LEU 78 2HD2 LEU 78 6.250 -2.814 -16.171 354 3HD2 LEU 78 3HD2 LEU 78 7.609 -2.480 -15.066 355 H HIS 79 H HID 79 3.405 -3.630 -14.531 356 HA HIS 79 HA HID 79 4.235 -1.917 -12.298 357 1HB HIS 79 2HB HID 79 3.841 -0.969 -15.145 358 2HB HIS 79 3HB HID 79 3.304 0.038 -13.807 359 HD1 HIS 79 1HD HID 79 5.684 -0.208 -11.791 360 HD2 HIS 79 2HD HID 79 6.038 0.192 -15.966 361 HE1 HIS 79 1HE HID 79 7.992 0.769 -12.238 362 H VAL 80 H VAL 80 2.637 -2.069 -10.919 363 HA VAL 80 HA VAL 80 -0.099 -1.604 -11.913 364 HB VAL 80 HB VAL 80 -0.994 -3.372 -10.468 365 1HG1 VAL 80 1HG1 VAL 80 1.056 -4.683 -12.255 366 2HG1 VAL 80 2HG1 VAL 80 -0.578 -5.245 -11.856 367 3HG1 VAL 80 3HG1 VAL 80 -0.351 -3.818 -12.883 368 1HG2 VAL 80 1HG2 VAL 80 0.743 -5.235 -9.826 369 2HG2 VAL 80 2HG2 VAL 80 1.892 -3.922 -9.778 370 3HG2 VAL 80 3HG2 VAL 80 0.446 -3.868 -8.729 371 H GLN 81 H GLN 81 -1.295 -0.300 -10.503 372 HA GLN 81 HA GLN 81 -0.162 0.057 -7.779 373 1HB GLN 81 2HB GLN 81 -0.411 2.508 -7.947 374 2HB GLN 81 3HB GLN 81 0.837 1.886 -9.044 375 1HG GLN 81 2HG GLN 81 -0.661 2.035 -10.953 376 2HG GLN 81 3HG GLN 81 -2.023 2.428 -9.884 377 1HE2 GLN 81 1HE2 GLN 81 -2.585 4.462 -10.579 378 2HE2 GLN 81 2HE2 GLN 81 -1.440 5.785 -10.643 379 H PHE 82 H PHE 82 -1.684 1.007 -6.290 380 HA PHE 82 HA PHE 82 -4.523 0.954 -7.062 381 1HB PHE 82 2HB PHE 82 -5.029 -0.834 -5.406 382 2HB PHE 82 3HB PHE 82 -4.126 -1.412 -6.791 383 HD1 PHE 82 1HD PHE 82 -1.967 -2.459 -6.554 384 HD2 PHE 82 2HD PHE 82 -3.808 -0.499 -3.177 385 HE1 PHE 82 1HE PHE 82 -0.449 -3.669 -5.016 386 HE2 PHE 82 2HE PHE 82 -2.309 -1.741 -1.648 387 HZ PHE 82 HZ PHE 82 -0.744 -3.442 -2.547 388 H ALA 83 H ALA 83 -5.907 1.548 -5.242 389 HA ALA 83 HA ALA 83 -4.491 3.211 -3.209 390 1HB ALA 83 1HB ALA 83 -6.503 4.478 -3.022 391 2HB ALA 83 2HB ALA 83 -6.041 4.447 -4.730 392 3HB ALA 83 3HB ALA 83 -7.373 3.417 -4.144 393 H VAL 84 H VAL 84 -5.008 2.903 -1.046 394 HA VAL 84 HA VAL 84 -7.121 0.943 -0.382 395 HB VAL 84 HB VAL 84 -5.079 -0.405 -0.671 396 1HG1 VAL 84 1HG1 VAL 84 -3.930 1.158 1.665 397 2HG1 VAL 84 2HG1 VAL 84 -3.198 -0.232 0.839 398 3HG1 VAL 84 3HG1 VAL 84 -3.401 1.302 -0.028 399 1HG2 VAL 84 1HG2 VAL 84 -5.134 -1.601 1.467 400 2HG2 VAL 84 2HG2 VAL 84 -6.006 -0.255 2.225 401 3HG2 VAL 84 3HG2 VAL 84 -6.754 -1.183 0.904 402 H HIS 85 H HID 85 -7.982 1.201 1.715 403 HA HIS 85 HA HID 85 -7.124 3.544 3.302 404 1HB HIS 85 2HB HID 85 -9.409 4.451 3.280 405 2HB HIS 85 3HB HID 85 -8.680 4.497 1.682 406 HD1 HIS 85 1HD HID 85 -11.926 3.953 2.984 407 HD2 HIS 85 2HD HID 85 -9.457 2.097 0.132 408 HE1 HIS 85 1HE HID 85 -13.464 2.800 1.333 409 H ASP 86 H ASP 86 -8.693 3.576 5.364 410 HA ASP 86 HA ASP 86 -9.392 0.744 6.025 411 1HB ASP 86 2HB ASP 86 -7.347 1.827 7.167 412 2HB ASP 86 3HB ASP 86 -8.500 2.886 7.994 413 H SER 87 H SER 87 -10.948 3.100 4.861 414 HA SER 87 HA SER 87 -12.898 4.241 5.124 415 1HB SER 87 2HB SER 87 -13.442 1.507 6.246 416 2HB SER 87 3HB SER 87 -14.694 2.734 6.443 417 HG SER 87 HG SER 87 -14.876 1.631 4.448 418 H LEU 88 H LEU 88 -10.839 4.738 7.240 419 HA LEU 88 HA LEU 88 -12.595 5.724 9.424 420 1HB LEU 88 2HB LEU 88 -9.594 5.619 9.025 421 2HB LEU 88 3HB LEU 88 -10.349 6.506 10.354 422 HG LEU 88 HG LEU 88 -10.811 3.530 9.849 423 1HD1 LEU 88 1HD1 LEU 88 -8.884 4.888 11.779 424 2HD1 LEU 88 2HD1 LEU 88 -9.225 3.144 11.687 425 3HD1 LEU 88 3HD1 LEU 88 -8.439 3.959 10.327 426 1HD2 LEU 88 1HD2 LEU 88 -11.530 3.576 12.256 427 2HD2 LEU 88 2HD2 LEU 88 -11.401 5.345 12.237 428 3HD2 LEU 88 3HD2 LEU 88 -12.601 4.515 11.223 429 H GLY 89 H GLY 89 -10.040 7.130 7.322 430 1HA GLY 89 1HA GLY 89 -11.557 9.213 6.225 431 2HA GLY 89 2HA GLY 89 -10.971 9.822 7.787 432 H GLY 90 H GLY 90 -9.589 7.769 5.154 433 1HA GLY 90 1HA GLY 90 -7.777 9.633 4.126 434 2HA GLY 90 2HA GLY 90 -6.944 8.746 5.430 435 H GLU 91 H GLU 91 -6.471 8.604 2.489 436 HA GLU 91 HA GLU 91 -6.698 5.691 2.120 437 1HB GLU 91 2HB GLU 91 -8.567 6.745 0.825 438 2HB GLU 91 3HB GLU 91 -7.412 7.836 0.046 439 1HG GLU 91 2HG GLU 91 -6.318 5.965 -1.073 440 2HG GLU 91 3HG GLU 91 -7.316 4.797 -0.190 441 H ILE 92 H ILE 92 -4.836 4.922 1.006 442 HA ILE 92 HA ILE 92 -2.779 6.962 0.352 443 HB ILE 92 HB ILE 92 -2.637 5.454 2.636 444 1HG1 ILE 92 2HG1 ILE 92 -1.330 7.411 2.222 445 2HG1 ILE 92 3HG1 ILE 92 -0.339 6.085 2.814 446 1HG2 ILE 92 1HG2 ILE 92 -0.934 3.750 2.391 447 2HG2 ILE 92 2HG2 ILE 92 -2.397 3.326 1.488 448 3HG2 ILE 92 3HG2 ILE 92 -0.954 3.907 0.631 449 1HD1 ILE 92 1HD1 ILE 92 0.890 7.252 1.132 450 2HD1 ILE 92 2HD1 ILE 92 0.461 5.678 0.451 451 3HD1 ILE 92 3HD1 ILE 92 -0.426 7.143 -0.036 452 H LEU 93 H LEU 93 -1.666 6.535 -1.484 453 HA LEU 93 HA LEU 93 -2.656 4.333 -3.178 454 1HB LEU 93 2HB LEU 93 -1.193 6.934 -3.617 455 2HB LEU 93 3HB LEU 93 -0.940 5.639 -4.792 456 HG LEU 93 HG LEU 93 -3.765 6.391 -4.017 457 1HD1 LEU 93 1HD1 LEU 93 -2.141 7.777 -6.192 458 2HD1 LEU 93 2HD1 LEU 93 -3.858 8.022 -5.819 459 3HD1 LEU 93 3HD1 LEU 93 -2.624 8.526 -4.649 460 1HD2 LEU 93 1HD2 LEU 93 -3.313 4.372 -5.436 461 2HD2 LEU 93 2HD2 LEU 93 -4.190 5.617 -6.341 462 3HD2 LEU 93 3HD2 LEU 93 -2.446 5.396 -6.598 463 H VAL 94 H VAL 94 -1.404 2.665 -3.816 464 HA VAL 94 HA VAL 94 1.335 2.357 -2.678 465 HB VAL 94 HB VAL 94 -0.948 0.380 -2.958 466 1HG1 VAL 94 1HG1 VAL 94 1.178 -0.771 -3.373 467 2HG1 VAL 94 2HG1 VAL 94 1.886 -0.027 -1.920 468 3HG1 VAL 94 3HG1 VAL 94 0.564 -1.205 -1.773 469 1HG2 VAL 94 1HG2 VAL 94 -1.272 1.862 -1.013 470 2HG2 VAL 94 2HG2 VAL 94 -0.857 0.228 -0.491 471 3HG2 VAL 94 3HG2 VAL 94 0.378 1.509 -0.458 472 H THR 95 H THR 95 2.825 1.634 -4.187 473 HA THR 95 HA THR 95 1.885 1.099 -6.954 474 HB THR 95 HB THR 95 4.298 1.859 -7.443 475 HG1 THR 95 1HG THR 95 5.344 2.919 -5.854 476 1HG2 THR 95 1HG2 THR 95 3.782 4.268 -7.231 477 2HG2 THR 95 2HG2 THR 95 2.378 3.379 -7.852 478 3HG2 THR 95 3HG2 THR 95 2.421 3.900 -6.151 479 H TYR 96 H TYR 96 2.964 -0.623 -8.046 480 HA TYR 96 HA TYR 96 4.877 -2.285 -6.542 481 1HB TYR 96 2HB TYR 96 2.600 -3.062 -5.956 482 2HB TYR 96 3HB TYR 96 2.211 -3.197 -7.648 483 HD1 TYR 96 HD1 TYR 96 1.450 -5.397 -6.424 484 HD2 TYR 96 HD2 TYR 96 5.587 -4.432 -7.194 485 HE1 TYR 96 HE1 TYR 96 2.116 -7.736 -5.929 486 HE2 TYR 96 HE2 TYR 96 6.207 -6.753 -6.788 487 HH TYR 96 HH TYR 96 4.031 -8.693 -4.933 488 H ASP 97 H ASP 97 6.570 -2.237 -7.995 489 HA ASP 97 HA ASP 97 6.069 -2.051 -10.857 490 1HB ASP 97 2HB ASP 97 8.537 -1.776 -10.903 491 2HB ASP 97 3HB ASP 97 7.733 -0.601 -9.853 492 H ASP 98 H ASP 98 4.928 -4.347 -10.148 493 HA ASP 98 HA ASP 98 6.304 -6.206 -11.766 494 1HB ASP 98 2HB ASP 98 7.358 -6.516 -9.303 495 2HB ASP 98 3HB ASP 98 5.866 -7.444 -9.061 496 H LEU 99 H LEU 99 4.947 -8.410 -11.482 497 HA LEU 99 HA LEU 99 2.098 -7.808 -11.792 498 1HB LEU 99 2HB LEU 99 3.738 -10.369 -11.681 499 2HB LEU 99 3HB LEU 99 1.982 -10.399 -11.704 500 HG LEU 99 HG LEU 99 2.742 -8.608 -13.788 501 1HD1 LEU 99 1HD1 LEU 99 4.103 -10.071 -15.236 502 2HD1 LEU 99 2HD1 LEU 99 4.983 -9.653 -13.753 503 3HD1 LEU 99 3HD1 LEU 99 4.243 -11.262 -13.925 504 1HD2 LEU 99 1HD2 LEU 99 1.609 -10.235 -15.218 505 2HD2 LEU 99 2HD2 LEU 99 1.681 -11.453 -13.926 506 3HD2 LEU 99 3HD2 LEU 99 0.707 -9.980 -13.713 507 H LEU 100 H LEU 100 0.444 -8.800 -10.581 508 HA LEU 100 HA LEU 100 0.852 -8.788 -7.638 509 1HB LEU 100 2HB LEU 100 -1.426 -8.332 -9.582 510 2HB LEU 100 3HB LEU 100 -1.837 -8.814 -7.953 511 HG LEU 100 HG LEU 100 0.114 -6.542 -8.297 512 1HD1 LEU 100 1HD1 LEU 100 -2.865 -6.472 -8.842 513 2HD1 LEU 100 2HD1 LEU 100 -1.968 -5.011 -8.345 514 3HD1 LEU 100 3HD1 LEU 100 -1.568 -5.858 -9.851 515 1HD2 LEU 100 1HD2 LEU 100 -1.132 -5.718 -6.266 516 2HD2 LEU 100 2HD2 LEU 100 -2.001 -7.268 -6.261 517 3HD2 LEU 100 3HD2 LEU 100 -0.237 -7.228 -6.068 518 HA PRO 101 HA PRO 101 -0.154 -13.180 -7.552 519 1HB PRO 101 2HB PRO 101 -1.473 -13.489 -5.178 520 2HB PRO 101 3HB PRO 101 0.230 -13.023 -5.283 521 1HG PRO 101 2HG PRO 101 -2.095 -11.093 -4.828 522 2HG PRO 101 3HG PRO 101 -0.568 -11.246 -3.949 523 1HD PRO 101 2HD PRO 101 -0.969 -9.488 -6.018 524 2HD PRO 101 3HD PRO 101 0.638 -10.195 -5.680 525 H ASP 102 H ASP 102 -3.160 -12.698 -5.875 526 HA ASP 102 HA ASP 102 -4.674 -13.733 -8.037 527 1HB ASP 102 2HB ASP 102 -5.635 -12.419 -5.477 528 2HB ASP 102 3HB ASP 102 -6.493 -13.628 -6.444 529 H LEU 103 H LEU 103 -3.734 -11.646 -9.302 530 HA LEU 103 HA LEU 103 -3.833 -9.582 -10.139 531 1HB LEU 103 2HB LEU 103 -5.694 -9.110 -11.471 532 2HB LEU 103 3HB LEU 103 -5.490 -10.853 -11.477 533 HG LEU 103 HG LEU 103 -7.402 -9.837 -9.396 534 1HD1 LEU 103 1HD1 LEU 103 -9.195 -9.375 -10.986 535 2HD1 LEU 103 2HD1 LEU 103 -7.867 -8.215 -11.147 536 3HD1 LEU 103 3HD1 LEU 103 -8.051 -9.522 -12.341 537 1HD2 LEU 103 1HD2 LEU 103 -8.756 -11.695 -10.191 538 2HD2 LEU 103 2HD2 LEU 103 -7.699 -11.923 -11.599 539 3HD2 LEU 103 3HD2 LEU 103 -7.096 -12.269 -9.967 540 H PHE 104 H PHE 104 -4.422 -9.594 -7.162 541 HA PHE 104 HA PHE 104 -5.024 -8.215 -5.512 542 1HB PHE 104 2HB PHE 104 -3.976 -6.416 -7.046 543 2HB PHE 104 3HB PHE 104 -5.625 -5.949 -7.424 544 HD1 PHE 104 1HD PHE 104 -6.464 -4.190 -6.096 545 HD2 PHE 104 2HD PHE 104 -3.303 -6.670 -4.514 546 HE1 PHE 104 1HE PHE 104 -6.102 -2.600 -4.237 547 HE2 PHE 104 2HE PHE 104 -2.974 -5.076 -2.715 548 HZ PHE 104 HZ PHE 104 -4.556 -3.179 -2.391 549 H ARG 105 H ARG 105 -6.831 -9.365 -4.923 550 HA ARG 105 HA ARG 105 -9.421 -9.021 -6.261 551 1HB ARG 105 2HB ARG 105 -8.750 -10.121 -3.516 552 2HB ARG 105 3HB ARG 105 -10.302 -10.267 -4.307 553 1HG ARG 105 2HG ARG 105 -9.582 -11.960 -5.703 554 2HG ARG 105 3HG ARG 105 -7.903 -11.428 -5.712 555 1HD ARG 105 2HD ARG 105 -9.269 -12.638 -3.256 556 2HD ARG 105 3HD ARG 105 -8.292 -13.545 -4.436 557 HE ARG 105 HE ARG 105 -6.904 -11.227 -3.423 558 1HH1 ARG 105 2HH2 ARG 105 -7.691 -14.500 -2.347 559 2HH1 ARG 105 1HH2 ARG 105 -6.048 -14.923 -1.985 560 1HH2 ARG 105 1HH1 ARG 105 -4.762 -11.720 -2.738 561 2HH2 ARG 105 2HH1 ARG 105 -4.391 -13.365 -3.014 562 H GLU 106 H GLU 106 -10.305 -6.945 -6.104 563 HA GLU 106 HA GLU 106 -9.797 -5.278 -3.770 564 1HB GLU 106 2HB GLU 106 -11.629 -4.828 -6.175 565 2HB GLU 106 3HB GLU 106 -11.217 -3.656 -4.921 566 1HG GLU 106 2HG GLU 106 -8.730 -4.136 -5.648 567 2HG GLU 106 3HG GLU 106 -9.475 -4.735 -7.120 568 H GLY 107 H GLY 107 -11.815 -4.053 -2.844 569 1HA GLY 107 1HA GLY 107 -13.709 -4.104 -1.597 570 2HA GLY 107 2HA GLY 107 -14.323 -5.377 -2.664 571 H GLN 108 H GLN 108 -11.356 -5.521 -0.663 572 HA GLN 108 HA GLN 108 -12.522 -7.002 1.498 573 1HB GLN 108 2HB GLN 108 -11.157 -9.026 1.191 574 2HB GLN 108 3HB GLN 108 -12.342 -8.866 -0.094 575 1HG GLN 108 2HG GLN 108 -10.790 -8.783 -1.710 576 2HG GLN 108 3HG GLN 108 -9.890 -7.497 -0.909 577 1HE2 GLN 108 1HE2 GLN 108 -8.179 -8.652 -2.039 578 2HE2 GLN 108 2HE2 GLN 108 -7.321 -9.896 -1.104 579 H GLY 109 H GLY 109 -10.444 -7.754 2.889 580 1HA GLY 109 1HA GLY 109 -8.733 -5.341 3.027 581 2HA GLY 109 2HA GLY 109 -8.993 -6.495 4.298 582 H ILE 110 H ILE 110 -6.573 -5.314 2.709 583 HA ILE 110 HA ILE 110 -5.159 -7.910 2.487 584 HB ILE 110 HB ILE 110 -4.080 -7.492 0.485 585 1HG1 ILE 110 2HG1 ILE 110 -5.051 -5.304 -0.829 586 2HG1 ILE 110 3HG1 ILE 110 -4.855 -4.656 0.805 587 1HG2 ILE 110 1HG2 ILE 110 -6.979 -6.779 -0.052 588 2HG2 ILE 110 2HG2 ILE 110 -5.821 -7.548 -1.155 589 3HG2 ILE 110 3HG2 ILE 110 -6.342 -8.398 0.313 590 1HD1 ILE 110 1HD1 ILE 110 -2.790 -6.227 -0.836 591 2HD1 ILE 110 2HD1 ILE 110 -2.796 -4.456 -0.553 592 3HD1 ILE 110 3HD1 ILE 110 -2.511 -5.574 0.793 593 H VAL 111 H VAL 111 -2.863 -7.673 2.671 594 HA VAL 111 HA VAL 111 -2.009 -5.214 4.073 595 HB VAL 111 HB VAL 111 -0.730 -6.545 5.625 596 1HG1 VAL 111 1HG1 VAL 111 -2.994 -5.721 6.248 597 2HG1 VAL 111 2HG1 VAL 111 -3.685 -7.276 5.758 598 3HG1 VAL 111 3HG1 VAL 111 -2.542 -7.193 7.113 599 1HG2 VAL 111 1HG2 VAL 111 -1.243 -8.950 6.017 600 2HG2 VAL 111 2HG2 VAL 111 -2.242 -8.975 4.553 601 3HG2 VAL 111 3HG2 VAL 111 -0.489 -8.691 4.447 602 H ALA 112 H ALA 112 -0.297 -4.358 3.116 603 HA ALA 112 HA ALA 112 1.172 -5.968 1.071 604 1HB ALA 112 1HB ALA 112 0.560 -3.016 0.920 605 2HB ALA 112 2HB ALA 112 1.153 -4.096 -0.351 606 3HB ALA 112 3HB ALA 112 -0.506 -4.253 0.249 607 H GLN 113 H GLN 113 3.234 -6.284 1.630 608 HA GLN 113 HA GLN 113 4.638 -4.236 3.291 609 1HB GLN 113 2HB GLN 113 4.516 -6.284 4.401 610 2HB GLN 113 3HB GLN 113 4.908 -7.233 3.025 611 1HG GLN 113 2HG GLN 113 7.025 -5.256 3.952 612 2HG GLN 113 3HG GLN 113 6.708 -6.646 4.964 613 1HE2 GLN 113 1HE2 GLN 113 6.355 -8.771 3.660 614 2HE2 GLN 113 2HE2 GLN 113 7.561 -9.202 2.525 615 H GLY 114 H GLY 114 6.556 -3.350 2.674 616 1HA GLY 114 1HA GLY 114 8.333 -4.443 0.881 617 2HA GLY 114 2HA GLY 114 7.380 -3.336 -0.106 618 H VAL 115 H VAL 115 8.154 -1.203 -0.106 619 HA VAL 115 HA VAL 115 9.393 -0.130 2.302 620 HB VAL 115 HB VAL 115 11.295 -1.274 1.490 621 1HG1 VAL 115 1HG1 VAL 115 12.205 -1.017 -0.805 622 2HG1 VAL 115 2HG1 VAL 115 10.611 -1.778 -0.837 623 3HG1 VAL 115 3HG1 VAL 115 10.784 -0.062 -1.266 624 1HG2 VAL 115 1HG2 VAL 115 11.711 1.041 2.213 625 2HG2 VAL 115 2HG2 VAL 115 12.906 0.426 1.067 626 3HG2 VAL 115 3HG2 VAL 115 11.666 1.559 0.510 627 H LEU 116 H LEU 116 9.460 2.074 2.357 628 HA LEU 116 HA LEU 116 7.615 3.363 0.439 629 1HB LEU 116 2HB LEU 116 9.145 4.609 2.756 630 2HB LEU 116 3HB LEU 116 7.706 5.222 1.927 631 HG LEU 116 HG LEU 116 7.985 3.028 3.989 632 1HD1 LEU 116 1HD1 LEU 116 6.089 4.182 4.982 633 2HD1 LEU 116 2HD1 LEU 116 7.396 5.329 4.618 634 3HD1 LEU 116 3HD1 LEU 116 5.966 5.244 3.562 635 1HD2 LEU 116 1HD2 LEU 116 6.736 1.666 2.555 636 2HD2 LEU 116 2HD2 LEU 116 5.470 2.524 3.424 637 3HD2 LEU 116 3HD2 LEU 116 5.917 3.040 1.805 638 H GLY 117 H GLY 117 8.278 4.862 -1.194 639 1HA GLY 117 1HA GLY 117 11.013 5.869 -1.282 640 2HA GLY 117 2HA GLY 117 10.840 4.392 -2.223 641 H GLU 118 H GLU 118 8.151 6.692 -1.914 642 HA GLU 118 HA GLU 118 8.567 7.603 -4.693 643 1HB GLU 118 2HB GLU 118 6.029 6.313 -3.646 644 2HB GLU 118 3HB GLU 118 6.277 6.893 -5.282 645 1HG GLU 118 2HG GLU 118 8.160 4.707 -4.493 646 2HG GLU 118 3HG GLU 118 6.460 4.286 -4.355 647 H ASP 119 H ASP 119 8.968 9.092 -2.415 648 HA ASP 119 HA ASP 119 8.058 10.607 -0.896 649 1HB ASP 119 2HB ASP 119 8.259 11.783 -3.685 650 2HB ASP 119 3HB ASP 119 8.402 12.674 -2.165 651 H GLY 120 H GLY 120 5.925 9.306 -0.825 652 1HA GLY 120 1HA GLY 120 3.657 10.626 -0.326 653 2HA GLY 120 2HA GLY 120 3.638 10.723 -2.087 654 H LYS 121 H LYS 121 4.926 8.026 -2.449 655 HA LYS 121 HA LYS 121 2.548 6.339 -1.735 656 1HB LYS 121 2HB LYS 121 3.958 6.701 -4.412 657 2HB LYS 121 3HB LYS 121 3.156 5.193 -3.985 658 1HG LYS 121 2HG LYS 121 1.502 6.311 -5.117 659 2HG LYS 121 3HG LYS 121 1.097 6.584 -3.423 660 1HD LYS 121 2HD LYS 121 0.971 8.800 -3.900 661 2HD LYS 121 3HD LYS 121 2.725 8.771 -3.994 662 1HE LYS 121 2HE LYS 121 2.184 9.756 -5.996 663 2HE LYS 121 3HE LYS 121 2.482 8.081 -6.468 664 1HZ LYS 121 1HZ LYS 121 0.508 8.987 -7.470 665 2HZ LYS 121 2HZ LYS 121 0.059 7.789 -6.433 666 3HZ LYS 121 3HZ LYS 121 -0.138 9.372 -6.009 667 H LEU 122 H LEU 122 3.002 4.008 -2.004 668 HA LEU 122 HA LEU 122 5.555 3.348 -0.578 669 1HB LEU 122 2HB LEU 122 2.948 1.866 -0.360 670 2HB LEU 122 3HB LEU 122 4.372 1.783 0.664 671 HG LEU 122 HG LEU 122 2.209 3.913 0.469 672 1HD1 LEU 122 1HD1 LEU 122 1.748 1.996 1.835 673 2HD1 LEU 122 2HD1 LEU 122 3.334 2.103 2.628 674 3HD1 LEU 122 3HD1 LEU 122 2.115 3.345 2.921 675 1HD2 LEU 122 1HD2 LEU 122 4.843 4.773 0.988 676 2HD2 LEU 122 2HD2 LEU 122 3.332 5.590 1.352 677 3HD2 LEU 122 3HD2 LEU 122 4.089 4.562 2.573 678 H ALA 123 H ALA 123 6.834 1.713 -1.575 679 HA ALA 123 HA ALA 123 5.680 0.400 -3.979 680 1HB ALA 123 1HB ALA 123 7.973 -0.332 -4.378 681 2HB ALA 123 2HB ALA 123 7.863 1.434 -4.251 682 3HB ALA 123 3HB ALA 123 8.522 0.485 -2.901 683 H ALA 124 H ALA 124 4.300 -1.164 -3.110 684 HA ALA 124 HA ALA 124 5.402 -2.929 -0.932 685 1HB ALA 124 1HB ALA 124 3.555 -1.462 -0.184 686 2HB ALA 124 2HB ALA 124 2.504 -2.299 -1.357 687 3HB ALA 124 3HB ALA 124 3.272 -3.206 -0.040 688 H THR 125 H THR 125 5.942 -4.831 -1.703 689 HA THR 125 HA THR 125 4.714 -5.812 -4.215 690 HB THR 125 HB THR 125 7.016 -5.743 -4.513 691 HG1 THR 125 1HG THR 125 6.134 -7.905 -4.875 692 1HG2 THR 125 1HG2 THR 125 7.435 -6.883 -1.716 693 2HG2 THR 125 2HG2 THR 125 8.697 -6.643 -2.933 694 3HG2 THR 125 3HG2 THR 125 7.851 -5.242 -2.279 695 H GLU 126 H GLU 126 5.323 -6.722 -0.833 696 HA GLU 126 HA GLU 126 4.324 -9.447 -1.284 697 1HB GLU 126 2HB GLU 126 6.308 -8.943 0.040 698 2HB GLU 126 3HB GLU 126 5.353 -7.972 1.138 699 1HG GLU 126 2HG GLU 126 4.868 -9.841 2.349 700 2HG GLU 126 3HG GLU 126 4.114 -10.587 0.936 701 H VAL 127 H VAL 127 2.269 -8.664 -2.025 702 HA VAL 127 HA VAL 127 0.335 -7.531 -0.106 703 HB VAL 127 HB VAL 127 -1.207 -7.787 -2.074 704 1HG1 VAL 127 1HG1 VAL 127 -0.214 -5.836 -3.278 705 2HG1 VAL 127 2HG1 VAL 127 -0.270 -5.641 -1.521 706 3HG1 VAL 127 3HG1 VAL 127 1.271 -6.028 -2.323 707 1HG2 VAL 127 1HG2 VAL 127 0.559 -9.443 -3.260 708 2HG2 VAL 127 2HG2 VAL 127 -0.482 -8.327 -4.159 709 3HG2 VAL 127 3HG2 VAL 127 1.215 -7.917 -3.848 710 H LEU 128 H LEU 128 -0.146 -8.997 1.491 711 HA LEU 128 HA LEU 128 -1.086 -11.715 0.656 712 1HB LEU 128 2HB LEU 128 -0.799 -10.796 3.514 713 2HB LEU 128 3HB LEU 128 -0.939 -12.413 2.856 714 HG LEU 128 HG LEU 128 1.226 -12.389 3.494 715 1HD1 LEU 128 1HD1 LEU 128 1.115 -12.922 1.033 716 2HD1 LEU 128 2HD1 LEU 128 1.716 -11.276 0.714 717 3HD1 LEU 128 3HD1 LEU 128 2.697 -12.408 1.647 718 1HD2 LEU 128 1HD2 LEU 128 2.814 -10.522 3.312 719 2HD2 LEU 128 2HD2 LEU 128 1.542 -9.499 2.625 720 3HD2 LEU 128 3HD2 LEU 128 1.390 -10.120 4.278 721 H ALA 129 H ALA 129 -3.220 -12.369 1.251 722 HA ALA 129 HA ALA 129 -5.104 -10.203 2.131 723 1HB ALA 129 1HB ALA 129 -6.733 -11.091 0.579 724 2HB ALA 129 2HB ALA 129 -5.280 -10.558 -0.304 725 3HB ALA 129 3HB ALA 129 -5.571 -12.293 -0.012 726 H LYS 130 H LYS 130 -4.409 -11.311 4.217 727 HA LYS 130 HA LYS 130 -5.189 -13.980 4.739 728 1HB LYS 130 2HB LYS 130 -4.702 -13.504 7.017 729 2HB LYS 130 3HB LYS 130 -3.567 -12.597 6.016 730 1HG LYS 130 2HG LYS 130 -5.499 -10.680 6.325 731 2HG LYS 130 3HG LYS 130 -5.806 -11.650 7.775 732 1HD LYS 130 2HD LYS 130 -3.345 -11.464 8.325 733 2HD LYS 130 3HD LYS 130 -3.158 -10.372 6.935 734 1HE LYS 130 2HE LYS 130 -4.653 -8.722 7.922 735 2HE LYS 130 3HE LYS 130 -5.126 -9.838 9.212 736 1HZ LYS 130 1HZ LYS 130 -2.419 -8.718 8.876 737 2HZ LYS 130 2HZ LYS 130 -3.540 -8.237 9.978 738 3HZ LYS 130 3HZ LYS 130 -2.904 -9.748 10.066 739 H HIS 131 H HID 131 -7.278 -11.383 4.149 740 HA HIS 131 HA HID 131 -9.422 -12.062 5.986 741 1HB HIS 131 2HB HID 131 -9.333 -10.379 3.442 742 2HB HIS 131 3HB HID 131 -10.744 -10.559 4.482 743 HD1 HIS 131 1HD HID 131 -7.226 -9.037 4.551 744 HD2 HIS 131 2HD HID 131 -10.822 -9.089 6.711 745 HE1 HIS 131 1HE HID 131 -6.943 -7.366 6.476 746 H ASP 132 H ASP 132 -8.896 -12.511 2.446 747 HA ASP 132 HA ASP 132 -10.869 -14.762 2.450 748 1HB ASP 132 2HB ASP 132 -9.977 -12.788 0.326 749 2HB ASP 132 3HB ASP 132 -10.782 -14.316 -0.051 Start of MODEL 13 1 H SER 32 H SER 32 19.010 -1.968 12.787 2 HA SER 32 HA SER 32 19.373 0.169 10.984 3 1HB SER 32 2HB SER 32 20.581 -1.899 10.660 4 2HB SER 32 3HB SER 32 19.081 -2.835 10.533 5 HG SER 32 HG SER 32 19.990 -0.883 8.688 6 H ASN 33 H ASN 33 16.663 -2.172 11.225 7 HA ASN 33 HA ASN 33 14.929 -0.510 9.544 8 1HB ASN 33 2HB ASN 33 15.994 -3.275 8.816 9 2HB ASN 33 3HB ASN 33 14.375 -2.787 8.327 10 1HD2 ASN 33 1HD2 ASN 33 17.869 -1.796 7.962 11 2HD2 ASN 33 2HD2 ASN 33 17.537 -1.000 6.439 12 H LEU 34 H LEU 34 12.715 -1.678 9.466 13 HA LEU 34 HA LEU 34 12.095 -3.157 11.908 14 1HB LEU 34 2HB LEU 34 12.057 -0.691 12.431 15 2HB LEU 34 3HB LEU 34 10.833 -0.472 11.178 16 HG LEU 34 HG LEU 34 9.235 -1.810 12.477 17 1HD1 LEU 34 1HD1 LEU 34 9.810 -2.504 14.820 18 2HD1 LEU 34 2HD1 LEU 34 10.713 -3.431 13.625 19 3HD1 LEU 34 3HD1 LEU 34 11.509 -2.106 14.501 20 1HD2 LEU 34 1HD2 LEU 34 10.666 0.323 14.116 21 2HD2 LEU 34 2HD2 LEU 34 9.395 0.598 12.906 22 3HD2 LEU 34 3HD2 LEU 34 9.020 -0.258 14.413 23 H ASN 35 H ASN 35 9.672 -3.783 11.777 24 HA ASN 35 HA ASN 35 8.691 -4.203 9.026 25 1HB ASN 35 2HB ASN 35 8.997 -6.638 9.228 26 2HB ASN 35 3HB ASN 35 10.553 -5.799 9.273 27 1HD2 ASN 35 1HD2 ASN 35 9.820 -8.546 10.328 28 2HD2 ASN 35 2HD2 ASN 35 10.229 -8.453 12.027 29 H LEU 36 H LEU 36 6.758 -3.039 10.084 30 HA LEU 36 HA LEU 36 5.069 -5.050 11.468 31 1HB LEU 36 2HB LEU 36 4.531 -3.698 13.280 32 2HB LEU 36 3HB LEU 36 6.275 -3.669 13.136 33 HG LEU 36 HG LEU 36 5.702 -1.414 11.696 34 1HD1 LEU 36 1HD1 LEU 36 3.299 -1.416 12.019 35 2HD1 LEU 36 2HD1 LEU 36 3.462 -1.740 13.760 36 3HD1 LEU 36 3HD1 LEU 36 3.955 -0.181 13.094 37 1HD2 LEU 36 1HD2 LEU 36 6.233 -0.155 13.737 38 2HD2 LEU 36 2HD2 LEU 36 5.894 -1.591 14.730 39 3HD2 LEU 36 3HD2 LEU 36 7.254 -1.593 13.592 40 H PHE 37 H PHE 37 2.795 -4.234 11.749 41 HA PHE 37 HA PHE 37 1.832 -3.478 9.064 42 1HB PHE 37 2HB PHE 37 0.494 -4.790 11.451 43 2HB PHE 37 3HB PHE 37 -0.343 -4.328 9.986 44 HD1 PHE 37 1HD PHE 37 -0.012 -5.499 7.851 45 HD2 PHE 37 2HD PHE 37 1.931 -6.816 11.474 46 HE1 PHE 37 1HE PHE 37 0.392 -7.724 6.836 47 HE2 PHE 37 2HE PHE 37 2.348 -9.030 10.441 48 HZ PHE 37 HZ PHE 37 1.593 -9.485 8.116 49 H TYR 38 H TYR 38 0.909 -1.589 8.624 50 HA TYR 38 HA TYR 38 0.060 0.227 10.816 51 1HB TYR 38 2HB TYR 38 2.332 0.414 9.091 52 2HB TYR 38 3HB TYR 38 1.169 1.549 8.442 53 HD1 TYR 38 HD1 TYR 38 3.629 0.947 10.998 54 HD2 TYR 38 HD2 TYR 38 0.132 3.287 10.063 55 HE1 TYR 38 HE1 TYR 38 4.083 2.413 12.951 56 HE2 TYR 38 HE2 TYR 38 0.601 4.750 12.000 57 HH TYR 38 HH TYR 38 1.774 4.885 14.008 58 H THR 39 H THR 39 -1.632 1.704 10.276 59 HA THR 39 HA THR 39 -3.501 0.676 8.396 60 HB THR 39 HB THR 39 -3.572 3.020 10.333 61 HG1 THR 39 1HG THR 39 -4.331 0.325 10.712 62 1HG2 THR 39 1HG2 THR 39 -5.480 3.057 8.786 63 2HG2 THR 39 2HG2 THR 39 -5.814 1.344 9.146 64 3HG2 THR 39 3HG2 THR 39 -5.989 2.576 10.414 65 HA PRO 40 HA PRO 40 -2.331 3.482 5.086 66 1HB PRO 40 2HB PRO 40 -4.635 3.521 3.579 67 2HB PRO 40 3HB PRO 40 -3.406 2.234 3.568 68 1HG PRO 40 2HG PRO 40 -5.958 2.299 5.178 69 2HG PRO 40 3HG PRO 40 -5.316 0.962 4.176 70 1HD PRO 40 2HD PRO 40 -5.018 1.013 6.841 71 2HD PRO 40 3HD PRO 40 -3.628 0.511 5.824 72 H SER 41 H SER 41 -5.763 4.162 6.215 73 HA SER 41 HA SER 41 -5.646 6.879 5.753 74 1HB SER 41 2HB SER 41 -7.183 5.426 7.937 75 2HB SER 41 3HB SER 41 -7.505 7.065 7.346 76 HG SER 41 HG SER 41 -7.573 5.953 5.178 77 H GLU 42 H GLU 42 -3.690 5.285 8.083 78 HA GLU 42 HA GLU 42 -3.435 7.689 9.767 79 1HB GLU 42 2HB GLU 42 -3.226 5.195 10.548 80 2HB GLU 42 3HB GLU 42 -1.603 5.292 9.846 81 1HG GLU 42 2HG GLU 42 -1.235 5.971 12.059 82 2HG GLU 42 3HG GLU 42 -1.461 7.517 11.196 83 H ILE 43 H ILE 43 -1.522 5.738 7.413 84 HA ILE 43 HA ILE 43 0.650 7.669 7.358 85 HB ILE 43 HB ILE 43 1.640 6.221 5.641 86 1HG1 ILE 43 2HG1 ILE 43 -0.581 4.260 6.198 87 2HG1 ILE 43 3HG1 ILE 43 -0.601 5.330 4.780 88 1HG2 ILE 43 1HG2 ILE 43 2.091 5.984 8.054 89 2HG2 ILE 43 2HG2 ILE 43 0.777 4.796 8.176 90 3HG2 ILE 43 3HG2 ILE 43 2.218 4.448 7.199 91 1HD1 ILE 43 1HD1 ILE 43 1.548 3.261 5.411 92 2HD1 ILE 43 2HD1 ILE 43 0.300 3.160 4.163 93 3HD1 ILE 43 3HD1 ILE 43 1.564 4.396 4.039 94 H VAL 44 H VAL 44 -1.779 8.891 6.640 95 HA VAL 44 HA VAL 44 -0.939 10.112 4.079 96 HB VAL 44 HB VAL 44 -3.329 10.560 3.555 97 1HG1 VAL 44 1HG1 VAL 44 -3.832 8.279 2.704 98 2HG1 VAL 44 2HG1 VAL 44 -2.190 8.810 2.391 99 3HG1 VAL 44 3HG1 VAL 44 -2.517 7.646 3.709 100 1HG2 VAL 44 1HG2 VAL 44 -4.732 10.229 5.344 101 2HG2 VAL 44 2HG2 VAL 44 -4.797 8.618 4.602 102 3HG2 VAL 44 3HG2 VAL 44 -3.794 8.858 5.999 103 H ASN 45 H ASN 45 -3.026 10.418 6.962 104 HA ASN 45 HA ASN 45 -3.460 13.156 6.634 105 1HB ASN 45 2HB ASN 45 -3.863 11.241 8.957 106 2HB ASN 45 3HB ASN 45 -4.222 12.964 9.108 107 1HD2 ASN 45 1HD2 ASN 45 -5.516 9.913 7.848 108 2HD2 ASN 45 2HD2 ASN 45 -6.887 10.689 7.059 109 H GLY 46 H GLY 46 -0.877 11.565 8.479 110 1HA GLY 46 1HA GLY 46 0.656 14.008 8.649 111 2HA GLY 46 2HA GLY 46 -0.167 13.686 10.180 112 H LYS 47 H LYS 47 1.909 12.121 7.726 113 HA LYS 47 HA LYS 47 3.650 10.837 9.521 114 1HB LYS 47 2HB LYS 47 1.206 9.316 8.649 115 2HB LYS 47 3HB LYS 47 2.735 8.418 8.614 116 1HG LYS 47 2HG LYS 47 2.844 8.181 10.794 117 2HG LYS 47 3HG LYS 47 2.570 9.891 11.071 118 1HD LYS 47 2HD LYS 47 0.020 9.185 10.541 119 2HD LYS 47 3HD LYS 47 0.680 7.629 11.119 120 1HE LYS 47 2HE LYS 47 1.688 9.234 13.038 121 2HE LYS 47 3HE LYS 47 0.399 10.324 12.526 122 1HZ LYS 47 1HZ LYS 47 -0.023 7.569 13.508 123 2HZ LYS 47 2HZ LYS 47 -0.280 8.941 14.369 124 3HZ LYS 47 3HZ LYS 47 -1.214 8.582 13.098 125 H THR 48 H THR 48 2.676 9.030 6.633 126 HA THR 48 HA THR 48 5.253 9.336 5.523 127 HB THR 48 HB THR 48 2.617 8.421 4.298 128 HG1 THR 48 1HG THR 48 3.614 6.392 4.727 129 1HG2 THR 48 1HG2 THR 48 5.425 8.336 3.176 130 2HG2 THR 48 2HG2 THR 48 4.135 7.218 2.651 131 3HG2 THR 48 3HG2 THR 48 3.941 8.954 2.433 132 H ASP 49 H ASP 49 2.163 10.636 4.121 133 HA ASP 49 HA ASP 49 3.287 12.040 2.105 134 1HB ASP 49 2HB ASP 49 0.843 12.719 3.781 135 2HB ASP 49 3HB ASP 49 1.279 13.603 2.313 136 H THR 50 H THR 50 2.689 13.291 5.383 137 HA THR 50 HA THR 50 3.912 15.849 4.936 138 HB THR 50 HB THR 50 3.447 14.657 7.663 139 HG1 THR 50 1HG THR 50 1.418 15.256 5.787 140 1HG2 THR 50 1HG2 THR 50 4.071 17.051 7.458 141 2HG2 THR 50 2HG2 THR 50 2.672 17.331 6.404 142 3HG2 THR 50 3HG2 THR 50 2.428 16.861 8.099 143 H GLY 51 H GLY 51 5.247 12.730 5.651 144 1HA GLY 51 1HA GLY 51 7.172 11.935 6.468 145 2HA GLY 51 2HA GLY 51 7.900 13.367 5.747 146 H VAL 52 H VAL 52 5.743 12.792 8.592 147 HA VAL 52 HA VAL 52 7.721 14.376 10.251 148 HB VAL 52 HB VAL 52 5.905 14.853 11.805 149 1HG1 VAL 52 1HG1 VAL 52 6.711 16.458 10.146 150 2HG1 VAL 52 2HG1 VAL 52 5.555 15.837 8.954 151 3HG1 VAL 52 3HG1 VAL 52 4.974 16.654 10.420 152 1HG2 VAL 52 1HG2 VAL 52 4.084 13.712 9.640 153 2HG2 VAL 52 2HG2 VAL 52 4.204 13.178 11.329 154 3HG2 VAL 52 3HG2 VAL 52 3.562 14.774 10.958 155 H LYS 53 H LYS 53 5.463 11.638 10.822 156 HA LYS 53 HA LYS 53 7.112 10.889 13.109 157 1HB LYS 53 2HB LYS 53 4.471 10.101 12.019 158 2HB LYS 53 3HB LYS 53 5.310 8.868 12.967 159 1HG LYS 53 2HG LYS 53 4.992 11.726 13.957 160 2HG LYS 53 3HG LYS 53 3.722 10.518 14.193 161 1HD LYS 53 2HD LYS 53 5.207 9.032 15.398 162 2HD LYS 53 3HD LYS 53 6.614 10.060 15.073 163 1HE LYS 53 2HE LYS 53 5.651 11.892 16.395 164 2HE LYS 53 3HE LYS 53 4.175 10.954 16.669 165 1HZ LYS 53 1HZ LYS 53 5.691 10.853 18.538 166 2HZ LYS 53 2HZ LYS 53 5.501 9.354 17.891 167 3HZ LYS 53 3HZ LYS 53 6.878 10.209 17.604 168 HA PRO 54 HA PRO 54 8.511 7.205 10.570 169 1HB PRO 54 2HB PRO 54 7.583 6.562 8.123 170 2HB PRO 54 3HB PRO 54 6.606 6.212 9.582 171 1HG PRO 54 2HG PRO 54 6.358 8.587 7.711 172 2HG PRO 54 3HG PRO 54 5.054 7.519 8.294 173 1HD PRO 54 2HD PRO 54 5.729 9.942 9.455 174 2HD PRO 54 3HD PRO 54 5.035 8.576 10.397 175 H GLU 55 H GLU 55 10.393 7.236 9.330 176 HA GLU 55 HA GLU 55 10.977 9.574 7.596 177 1HB GLU 55 2HB GLU 55 12.672 7.354 8.830 178 2HB GLU 55 3HB GLU 55 13.293 8.481 7.622 179 1HG GLU 55 2HG GLU 55 11.958 9.607 10.105 180 2HG GLU 55 3HG GLU 55 13.608 8.977 10.197 181 H ALA 56 H ALA 56 11.456 9.227 5.428 182 HA ALA 56 HA ALA 56 10.204 7.001 4.091 183 1HB ALA 56 1HB ALA 56 11.163 8.008 2.043 184 2HB ALA 56 2HB ALA 56 10.387 9.234 3.056 185 3HB ALA 56 3HB ALA 56 12.158 9.090 3.038 186 H GLY 57 H GLY 57 11.545 5.703 2.406 187 1HA GLY 57 1HA GLY 57 13.066 4.036 2.041 188 2HA GLY 57 2HA GLY 57 14.262 5.081 2.824 189 H GLN 58 H GLN 58 11.344 3.782 4.392 190 HA GLN 58 HA GLN 58 12.968 1.793 5.921 191 1HB GLN 58 2HB GLN 58 10.655 3.530 6.875 192 2HB GLN 58 3HB GLN 58 11.242 2.094 7.730 193 1HG GLN 58 2HG GLN 58 13.510 3.103 7.893 194 2HG GLN 58 3HG GLN 58 12.891 4.591 7.151 195 1HE2 GLN 58 1HE2 GLN 58 10.844 5.492 8.258 196 2HE2 GLN 58 2HE2 GLN 58 10.799 5.368 10.035 197 H ARG 59 H ARG 59 11.724 -0.053 6.559 198 HA ARG 59 HA ARG 59 9.866 -0.871 4.426 199 1HB ARG 59 2HB ARG 59 12.185 -2.024 5.612 200 2HB ARG 59 3HB ARG 59 10.871 -3.017 6.180 201 1HG ARG 59 2HG ARG 59 11.162 -2.251 3.245 202 2HG ARG 59 3HG ARG 59 12.164 -3.521 3.917 203 1HD ARG 59 2HD ARG 59 9.130 -3.712 4.182 204 2HD ARG 59 3HD ARG 59 9.962 -4.117 2.693 205 HE ARG 59 HE ARG 59 10.916 -5.967 3.518 206 1HH1 ARG 59 2HH2 ARG 59 9.219 -4.324 6.121 207 2HH1 ARG 59 1HH2 ARG 59 9.461 -5.575 7.298 208 1HH2 ARG 59 1HH1 ARG 59 11.217 -7.672 5.005 209 2HH2 ARG 59 2HH1 ARG 59 10.616 -7.561 6.625 210 H ILE 60 H ILE 60 7.739 -1.321 4.894 211 HA ILE 60 HA ILE 60 6.917 -1.996 7.622 212 HB ILE 60 HB ILE 60 5.141 -0.312 7.719 213 1HG1 ILE 60 2HG1 ILE 60 6.503 1.179 5.450 214 2HG1 ILE 60 3HG1 ILE 60 5.088 0.153 5.204 215 1HG2 ILE 60 1HG2 ILE 60 7.309 0.050 8.886 216 2HG2 ILE 60 2HG2 ILE 60 7.829 1.082 7.534 217 3HG2 ILE 60 3HG2 ILE 60 6.431 1.535 8.525 218 1HD1 ILE 60 1HD1 ILE 60 3.783 1.492 6.820 219 2HD1 ILE 60 2HD1 ILE 60 5.158 2.606 7.002 220 3HD1 ILE 60 3HD1 ILE 60 4.353 2.439 5.435 221 H ARG 61 H ARG 61 4.407 -2.353 7.549 222 HA ARG 61 HA ARG 61 3.606 -3.256 4.835 223 1HB ARG 61 2HB ARG 61 2.490 -4.483 7.350 224 2HB ARG 61 3HB ARG 61 2.463 -5.098 5.705 225 1HG ARG 61 2HG ARG 61 4.924 -5.518 5.867 226 2HG ARG 61 3HG ARG 61 4.936 -4.888 7.521 227 1HD ARG 61 2HD ARG 61 3.465 -6.605 8.329 228 2HD ARG 61 3HD ARG 61 3.119 -7.181 6.725 229 HE ARG 61 HE ARG 61 5.091 -8.303 6.531 230 1HH1 ARG 61 2HH2 ARG 61 5.023 -6.492 9.515 231 2HH1 ARG 61 1HH2 ARG 61 6.453 -7.148 10.224 232 1HH2 ARG 61 1HH1 ARG 61 6.886 -9.391 7.396 233 2HH2 ARG 61 2HH1 ARG 61 7.426 -9.075 9.021 234 H VAL 62 H VAL 62 1.752 -2.387 4.080 235 HA VAL 62 HA VAL 62 0.202 -0.592 5.891 236 HB VAL 62 HB VAL 62 0.979 0.621 4.023 237 1HG1 VAL 62 1HG1 VAL 62 -0.281 -1.436 2.180 238 2HG1 VAL 62 2HG1 VAL 62 0.486 0.086 1.699 239 3HG1 VAL 62 3HG1 VAL 62 1.473 -1.191 2.409 240 1HG2 VAL 62 1HG2 VAL 62 -1.361 1.017 4.761 241 2HG2 VAL 62 2HG2 VAL 62 -1.119 1.375 3.040 242 3HG2 VAL 62 3HG2 VAL 62 -1.939 -0.118 3.519 243 H GLY 63 H GLY 63 -1.797 -1.332 6.519 244 1HA GLY 63 1HA GLY 63 -3.036 -3.626 5.037 245 2HA GLY 63 2HA GLY 63 -2.729 -3.676 6.781 246 H GLY 64 H GLY 64 -5.072 -3.097 4.493 247 1HA GLY 64 1HA GLY 64 -6.973 -2.012 6.302 248 2HA GLY 64 2HA GLY 64 -6.367 -0.708 5.269 249 H MET 65 H MET 65 -8.456 -0.552 4.209 250 HA MET 65 HA MET 65 -9.351 -2.975 2.769 251 1HB MET 65 2HB MET 65 -11.555 -1.950 2.585 252 2HB MET 65 3HB MET 65 -11.057 -2.515 4.167 253 1HG MET 65 2HG MET 65 -10.348 0.294 3.895 254 2HG MET 65 3HG MET 65 -12.002 0.045 3.407 255 1HE MET 65 1HE MET 65 -9.421 -0.780 6.287 256 2HE MET 65 2HE MET 65 -10.505 -1.122 7.641 257 3HE MET 65 3HE MET 65 -10.373 -2.274 6.298 258 H VAL 66 H VAL 66 -9.435 -3.083 0.634 259 HA VAL 66 HA VAL 66 -8.400 -0.841 -0.960 260 HB VAL 66 HB VAL 66 -9.252 -3.708 -1.539 261 1HG1 VAL 66 1HG1 VAL 66 -8.250 -3.351 -3.745 262 2HG1 VAL 66 2HG1 VAL 66 -9.661 -2.332 -3.559 263 3HG1 VAL 66 3HG1 VAL 66 -8.053 -1.609 -3.401 264 1HG2 VAL 66 1HG2 VAL 66 -6.507 -2.394 -1.442 265 2HG2 VAL 66 2HG2 VAL 66 -7.166 -3.521 -0.237 266 3HG2 VAL 66 3HG2 VAL 66 -6.869 -4.077 -1.889 267 H THR 67 H THR 67 -9.922 0.674 -1.341 268 HA THR 67 HA THR 67 -12.383 1.229 -1.696 269 HB THR 67 HB THR 67 -10.823 2.637 -2.621 270 HG1 THR 67 1HG THR 67 -11.576 3.049 -4.684 271 1HG2 THR 67 1HG2 THR 67 -9.288 2.267 -4.328 272 2HG2 THR 67 2HG2 THR 67 -9.081 0.896 -3.278 273 3HG2 THR 67 3HG2 THR 67 -9.983 0.691 -4.790 274 H VAL 68 H VAL 68 -11.924 0.145 -4.929 275 HA VAL 68 HA VAL 68 -13.464 -2.277 -4.559 276 HB VAL 68 HB VAL 68 -15.198 -0.485 -4.381 277 1HG1 VAL 68 1HG1 VAL 68 -15.825 0.890 -6.256 278 2HG1 VAL 68 2HG1 VAL 68 -14.121 1.200 -5.887 279 3HG1 VAL 68 3HG1 VAL 68 -14.568 0.191 -7.284 280 1HG2 VAL 68 1HG2 VAL 68 -16.781 -1.448 -5.938 281 2HG2 VAL 68 2HG2 VAL 68 -15.469 -2.128 -6.921 282 3HG2 VAL 68 3HG2 VAL 68 -15.743 -2.725 -5.270 283 H GLY 69 H GLY 69 -12.150 0.000 -6.963 284 1HA GLY 69 1HA GLY 69 -11.023 -2.323 -8.380 285 2HA GLY 69 2HA GLY 69 -12.301 -1.460 -9.258 286 H SER 70 H SER 70 -10.050 0.081 -7.001 287 HA SER 70 HA SER 70 -9.130 1.877 -9.128 288 1HB SER 70 2HB SER 70 -8.119 1.712 -6.277 289 2HB SER 70 3HB SER 70 -7.922 3.044 -7.426 290 HG SER 70 HG SER 70 -9.643 3.525 -6.117 291 H MET 71 H MET 71 -8.270 -1.203 -8.943 292 HA MET 71 HA MET 71 -5.371 -0.951 -8.827 293 1HB MET 71 2HB MET 71 -7.029 -3.027 -8.327 294 2HB MET 71 3HB MET 71 -6.738 -3.365 -10.018 295 1HG MET 71 2HG MET 71 -4.773 -3.251 -7.731 296 2HG MET 71 3HG MET 71 -5.065 -4.573 -8.856 297 1HE MET 71 1HE MET 71 -3.123 -3.348 -11.956 298 2HE MET 71 2HE MET 71 -3.867 -4.778 -11.186 299 3HE MET 71 3HE MET 71 -4.866 -3.365 -11.615 300 H VAL 72 H VAL 72 -4.395 0.115 -10.528 301 HA VAL 72 HA VAL 72 -5.532 -0.309 -13.279 302 HB VAL 72 HB VAL 72 -4.518 1.774 -13.955 303 1HG1 VAL 72 1HG1 VAL 72 -6.203 3.234 -12.947 304 2HG1 VAL 72 2HG1 VAL 72 -6.901 1.641 -13.274 305 3HG1 VAL 72 3HG1 VAL 72 -6.452 2.088 -11.616 306 1HG2 VAL 72 1HG2 VAL 72 -2.751 2.087 -12.317 307 2HG2 VAL 72 2HG2 VAL 72 -3.853 3.469 -12.293 308 3HG2 VAL 72 3HG2 VAL 72 -3.949 2.256 -11.002 309 H ARG 73 H ARG 73 -4.304 -1.374 -14.660 310 HA ARG 73 HA ARG 73 -1.529 -2.025 -13.861 311 1HB ARG 73 2HB ARG 73 -1.779 -4.017 -15.351 312 2HB ARG 73 3HB ARG 73 -2.712 -4.125 -13.895 313 1HG ARG 73 2HG ARG 73 -4.028 -3.229 -16.492 314 2HG ARG 73 3HG ARG 73 -3.731 -4.915 -16.076 315 1HD ARG 73 2HD ARG 73 -4.897 -4.179 -13.771 316 2HD ARG 73 3HD ARG 73 -5.707 -3.019 -14.841 317 HE ARG 73 HE ARG 73 -5.963 -5.359 -16.204 318 1HH1 ARG 73 2HH2 ARG 73 -6.866 -4.374 -12.927 319 2HH1 ARG 73 1HH2 ARG 73 -7.834 -5.772 -12.595 320 1HH2 ARG 73 1HH1 ARG 73 -7.304 -7.201 -15.825 321 2HH2 ARG 73 2HH1 ARG 73 -8.163 -7.368 -14.329 322 H ASP 74 H ASP 74 0.096 -1.789 -15.358 323 HA ASP 74 HA ASP 74 -0.346 -0.101 -17.687 324 1HB ASP 74 2HB ASP 74 1.948 -1.540 -16.344 325 2HB ASP 74 3HB ASP 74 2.119 -1.237 -18.056 326 HA PRO 75 HA PRO 75 -0.885 -3.467 -20.606 327 1HB PRO 75 2HB PRO 75 0.374 -2.502 -22.879 328 2HB PRO 75 3HB PRO 75 -1.166 -1.809 -22.289 329 1HG PRO 75 2HG PRO 75 1.643 -0.794 -21.739 330 2HG PRO 75 3HG PRO 75 0.239 0.147 -22.319 331 1HD PRO 75 2HD PRO 75 0.920 0.098 -19.696 332 2HD PRO 75 3HD PRO 75 -0.798 0.070 -20.176 333 H ASN 76 H ASN 76 2.271 -2.248 -19.812 334 HA ASN 76 HA ASN 76 3.956 -4.323 -20.602 335 1HB ASN 76 2HB ASN 76 3.806 -2.998 -17.847 336 2HB ASN 76 3HB ASN 76 5.154 -3.933 -18.532 337 1HD2 ASN 76 1HD2 ASN 76 4.153 -0.607 -18.069 338 2HD2 ASN 76 2HD2 ASN 76 5.172 -0.040 -19.337 339 H SER 77 H SER 77 1.311 -4.377 -18.216 340 HA SER 77 HA SER 77 0.205 -6.007 -17.232 341 1HB SER 77 2HB SER 77 1.816 -8.040 -18.829 342 2HB SER 77 3HB SER 77 0.278 -8.281 -18.009 343 HG SER 77 HG SER 77 0.695 -6.393 -20.119 344 H LEU 78 H LEU 78 3.331 -5.400 -16.632 345 HA LEU 78 HA LEU 78 3.483 -7.159 -14.235 346 1HB LEU 78 2HB LEU 78 5.957 -6.932 -14.494 347 2HB LEU 78 3HB LEU 78 5.096 -7.968 -15.632 348 HG LEU 78 HG LEU 78 5.206 -6.263 -17.384 349 1HD1 LEU 78 1HD1 LEU 78 6.482 -4.597 -15.205 350 2HD1 LEU 78 2HD1 LEU 78 6.775 -4.267 -16.930 351 3HD1 LEU 78 3HD1 LEU 78 5.129 -4.196 -16.297 352 1HD2 LEU 78 1HD2 LEU 78 7.887 -6.826 -16.120 353 2HD2 LEU 78 2HD2 LEU 78 6.962 -7.900 -17.200 354 3HD2 LEU 78 3HD2 LEU 78 7.578 -6.355 -17.814 355 H HIS 79 H HID 79 3.131 -3.916 -15.254 356 HA HIS 79 HA HID 79 4.160 -2.892 -12.637 357 1HB HIS 79 2HB HID 79 3.904 -1.629 -15.382 358 2HB HIS 79 3HB HID 79 3.816 -0.650 -13.919 359 HD1 HIS 79 1HD HID 79 6.109 -1.288 -12.179 360 HD2 HIS 79 2HD HID 79 6.284 -1.563 -16.379 361 HE1 HIS 79 1HE HID 79 8.565 -1.073 -12.824 362 H VAL 80 H VAL 80 2.531 -2.572 -11.210 363 HA VAL 80 HA VAL 80 -0.149 -1.852 -12.233 364 HB VAL 80 HB VAL 80 -1.104 -3.714 -10.885 365 1HG1 VAL 80 1HG1 VAL 80 -0.556 -3.980 -13.389 366 2HG1 VAL 80 2HG1 VAL 80 0.791 -4.985 -12.856 367 3HG1 VAL 80 3HG1 VAL 80 -0.869 -5.446 -12.433 368 1HG2 VAL 80 1HG2 VAL 80 0.471 -5.693 -10.511 369 2HG2 VAL 80 2HG2 VAL 80 1.786 -4.543 -10.509 370 3HG2 VAL 80 3HG2 VAL 80 0.451 -4.369 -9.326 371 H GLN 81 H GLN 81 -1.259 -0.518 -10.831 372 HA GLN 81 HA GLN 81 -0.081 -0.221 -8.094 373 1HB GLN 81 2HB GLN 81 -0.062 2.228 -8.335 374 2HB GLN 81 3HB GLN 81 1.116 1.430 -9.396 375 1HG GLN 81 2HG GLN 81 -0.282 1.724 -11.338 376 2HG GLN 81 3HG GLN 81 -1.651 2.214 -10.325 377 1HE2 GLN 81 1HE2 GLN 81 -2.062 4.270 -11.031 378 2HE2 GLN 81 2HE2 GLN 81 -0.850 5.532 -11.036 379 H PHE 82 H PHE 82 -1.409 0.749 -6.552 380 HA PHE 82 HA PHE 82 -4.280 1.019 -7.240 381 1HB PHE 82 2HB PHE 82 -4.883 -0.714 -5.619 382 2HB PHE 82 3HB PHE 82 -4.012 -1.352 -6.997 383 HD1 PHE 82 1HD PHE 82 -3.577 -0.423 -3.379 384 HD2 PHE 82 2HD PHE 82 -2.042 -2.669 -6.734 385 HE1 PHE 82 1HE PHE 82 -2.273 -1.847 -1.836 386 HE2 PHE 82 2HE PHE 82 -0.766 -4.101 -5.183 387 HZ PHE 82 HZ PHE 82 -0.993 -3.786 -2.715 388 H ALA 83 H ALA 83 -5.570 1.691 -5.390 389 HA ALA 83 HA ALA 83 -3.969 3.273 -3.460 390 1HB ALA 83 1HB ALA 83 -5.173 4.582 -5.258 391 2HB ALA 83 2HB ALA 83 -6.701 3.977 -4.577 392 3HB ALA 83 3HB ALA 83 -5.603 4.984 -3.600 393 H VAL 84 H VAL 84 -4.613 3.135 -1.339 394 HA VAL 84 HA VAL 84 -6.876 1.311 -0.655 395 HB VAL 84 HB VAL 84 -4.919 -0.121 -0.971 396 1HG1 VAL 84 1HG1 VAL 84 -3.599 1.458 1.266 397 2HG1 VAL 84 2HG1 VAL 84 -2.975 -0.013 0.493 398 3HG1 VAL 84 3HG1 VAL 84 -3.121 1.480 -0.447 399 1HG2 VAL 84 1HG2 VAL 84 -6.557 -0.804 0.693 400 2HG2 VAL 84 2HG2 VAL 84 -4.933 -1.296 1.177 401 3HG2 VAL 84 3HG2 VAL 84 -5.700 0.095 1.964 402 H HIS 85 H HID 85 -7.691 1.535 1.498 403 HA HIS 85 HA HID 85 -6.812 3.899 3.036 404 1HB HIS 85 2HB HID 85 -9.015 4.936 2.895 405 2HB HIS 85 3HB HID 85 -8.273 4.844 1.310 406 HD1 HIS 85 1HD HID 85 -11.511 4.751 2.452 407 HD2 HIS 85 2HD HID 85 -9.190 2.273 -0.018 408 HE1 HIS 85 1HE HID 85 -13.138 3.431 1.004 409 H ASP 86 H ASP 86 -8.633 4.135 4.942 410 HA ASP 86 HA ASP 86 -9.302 1.381 5.860 411 1HB ASP 86 2HB ASP 86 -7.444 2.845 7.032 412 2HB ASP 86 3HB ASP 86 -8.834 3.706 7.713 413 H SER 87 H SER 87 -10.863 3.167 4.143 414 HA SER 87 HA SER 87 -12.801 4.414 3.984 415 1HB SER 87 2HB SER 87 -13.660 2.032 5.645 416 2HB SER 87 3HB SER 87 -14.756 3.101 4.744 417 HG SER 87 HG SER 87 -14.104 1.259 3.502 418 H LEU 88 H LEU 88 -11.245 5.624 5.893 419 HA LEU 88 HA LEU 88 -13.342 6.736 7.710 420 1HB LEU 88 2HB LEU 88 -10.373 6.282 8.085 421 2HB LEU 88 3HB LEU 88 -11.219 7.517 9.022 422 HG LEU 88 HG LEU 88 -12.230 4.648 8.927 423 1HD1 LEU 88 1HD1 LEU 88 -10.999 4.233 11.017 424 2HD1 LEU 88 2HD1 LEU 88 -9.890 4.573 9.682 425 3HD1 LEU 88 3HD1 LEU 88 -10.224 5.830 10.893 426 1HD2 LEU 88 1HD2 LEU 88 -12.539 6.890 10.980 427 2HD2 LEU 88 2HD2 LEU 88 -13.794 6.368 9.839 428 3HD2 LEU 88 3HD2 LEU 88 -13.236 5.263 11.099 429 H GLY 89 H GLY 89 -10.167 7.790 6.438 430 1HA GLY 89 1HA GLY 89 -11.187 9.855 4.738 431 2HA GLY 89 2HA GLY 89 -10.856 10.517 6.355 432 H GLY 90 H GLY 90 -9.337 8.231 3.996 433 1HA GLY 90 1HA GLY 90 -6.994 9.790 3.550 434 2HA GLY 90 2HA GLY 90 -6.797 8.710 4.952 435 H GLU 91 H GLU 91 -6.540 8.856 1.531 436 HA GLU 91 HA GLU 91 -6.348 5.892 1.364 437 1HB GLU 91 2HB GLU 91 -8.287 6.883 0.016 438 2HB GLU 91 3HB GLU 91 -7.078 7.783 -0.914 439 1HG GLU 91 2HG GLU 91 -6.007 5.638 -1.559 440 2HG GLU 91 3HG GLU 91 -7.223 4.739 -0.653 441 H ILE 92 H ILE 92 -4.403 5.159 0.684 442 HA ILE 92 HA ILE 92 -2.382 7.168 -0.192 443 HB ILE 92 HB ILE 92 -2.053 6.244 2.147 444 1HG1 ILE 92 2HG1 ILE 92 0.287 5.963 2.013 445 2HG1 ILE 92 3HG1 ILE 92 0.214 5.504 0.298 446 1HG2 ILE 92 1HG2 ILE 92 -1.357 3.644 0.739 447 2HG2 ILE 92 2HG2 ILE 92 -1.219 4.009 2.466 448 3HG2 ILE 92 3HG2 ILE 92 -2.816 3.929 1.711 449 1HD1 ILE 92 1HD1 ILE 92 1.083 7.801 0.848 450 2HD1 ILE 92 2HD1 ILE 92 -0.211 7.783 -0.357 451 3HD1 ILE 92 3HD1 ILE 92 -0.524 8.261 1.325 452 H LEU 93 H LEU 93 -0.635 6.100 -1.559 453 HA LEU 93 HA LEU 93 -2.009 4.231 -3.429 454 1HB LEU 93 2HB LEU 93 -0.528 6.802 -3.817 455 2HB LEU 93 3HB LEU 93 -0.088 5.503 -4.930 456 HG LEU 93 HG LEU 93 -3.009 6.147 -4.553 457 1HD1 LEU 93 1HD1 LEU 93 -2.047 8.316 -5.080 458 2HD1 LEU 93 2HD1 LEU 93 -1.012 7.603 -6.343 459 3HD1 LEU 93 3HD1 LEU 93 -2.771 7.657 -6.562 460 1HD2 LEU 93 1HD2 LEU 93 -3.109 5.255 -6.849 461 2HD2 LEU 93 2HD2 LEU 93 -1.335 5.175 -6.931 462 3HD2 LEU 93 3HD2 LEU 93 -2.222 4.109 -5.832 463 H VAL 94 H VAL 94 -1.010 2.406 -3.875 464 HA VAL 94 HA VAL 94 1.766 1.933 -2.908 465 HB VAL 94 HB VAL 94 -0.652 0.117 -3.105 466 1HG1 VAL 94 1HG1 VAL 94 2.210 -0.436 -2.246 467 2HG1 VAL 94 2HG1 VAL 94 0.847 -1.550 -1.965 468 3HG1 VAL 94 3HG1 VAL 94 1.355 -1.182 -3.618 469 1HG2 VAL 94 1HG2 VAL 94 -0.463 -0.020 -0.644 470 2HG2 VAL 94 2HG2 VAL 94 0.885 1.135 -0.675 471 3HG2 VAL 94 3HG2 VAL 94 -0.745 1.649 -1.150 472 H THR 95 H THR 95 3.180 1.501 -4.521 473 HA THR 95 HA THR 95 2.150 0.767 -7.233 474 HB THR 95 HB THR 95 4.513 1.419 -7.892 475 HG1 THR 95 1HG THR 95 5.216 1.220 -5.607 476 1HG2 THR 95 1HG2 THR 95 2.857 3.576 -6.495 477 2HG2 THR 95 2HG2 THR 95 4.121 3.849 -7.713 478 3HG2 THR 95 3HG2 THR 95 2.624 3.012 -8.165 479 H TYR 96 H TYR 96 2.700 -1.197 -8.129 480 HA TYR 96 HA TYR 96 4.500 -3.030 -6.617 481 1HB TYR 96 2HB TYR 96 1.872 -3.164 -6.418 482 2HB TYR 96 3HB TYR 96 1.957 -3.788 -8.034 483 HD1 TYR 96 HD1 TYR 96 4.020 -5.756 -8.161 484 HD2 TYR 96 HD2 TYR 96 1.521 -4.768 -4.803 485 HE1 TYR 96 HE1 TYR 96 3.963 -8.147 -7.494 486 HE2 TYR 96 HE2 TYR 96 1.595 -7.132 -4.091 487 HH TYR 96 HH TYR 96 3.496 -9.236 -4.868 488 H ASP 97 H ASP 97 6.259 -3.316 -8.029 489 HA ASP 97 HA ASP 97 5.840 -3.138 -10.942 490 1HB ASP 97 2HB ASP 97 8.293 -2.870 -10.927 491 2HB ASP 97 3HB ASP 97 7.460 -1.637 -9.972 492 H ASP 98 H ASP 98 4.696 -5.395 -10.045 493 HA ASP 98 HA ASP 98 5.913 -7.321 -11.612 494 1HB ASP 98 2HB ASP 98 7.249 -7.546 -9.316 495 2HB ASP 98 3HB ASP 98 5.799 -8.390 -8.773 496 H LEU 99 H LEU 99 4.494 -9.534 -11.047 497 HA LEU 99 HA LEU 99 1.680 -8.630 -11.196 498 1HB LEU 99 2HB LEU 99 2.975 -11.364 -11.539 499 2HB LEU 99 3HB LEU 99 1.235 -11.085 -11.524 500 HG LEU 99 HG LEU 99 2.042 -9.173 -13.358 501 1HD1 LEU 99 1HD1 LEU 99 4.361 -10.075 -13.386 502 2HD1 LEU 99 2HD1 LEU 99 3.725 -11.669 -13.848 503 3HD1 LEU 99 3HD1 LEU 99 3.542 -10.284 -14.944 504 1HD2 LEU 99 1HD2 LEU 99 1.090 -10.695 -15.041 505 2HD2 LEU 99 2HD2 LEU 99 1.191 -12.047 -13.890 506 3HD2 LEU 99 3HD2 LEU 99 0.114 -10.670 -13.564 507 H LEU 100 H LEU 100 0.042 -9.299 -9.885 508 HA LEU 100 HA LEU 100 0.650 -9.504 -7.059 509 1HB LEU 100 2HB LEU 100 -1.831 -9.400 -8.802 510 2HB LEU 100 3HB LEU 100 -2.001 -9.743 -7.089 511 HG LEU 100 HG LEU 100 -2.356 -7.369 -7.892 512 1HD1 LEU 100 1HD1 LEU 100 -0.360 -7.840 -5.655 513 2HD1 LEU 100 2HD1 LEU 100 -1.365 -6.391 -5.851 514 3HD1 LEU 100 3HD1 LEU 100 -2.130 -7.957 -5.510 515 1HD2 LEU 100 1HD2 LEU 100 -0.480 -5.892 -8.051 516 2HD2 LEU 100 2HD2 LEU 100 0.677 -7.223 -7.887 517 3HD2 LEU 100 3HD2 LEU 100 -0.405 -7.161 -9.303 518 HA PRO 101 HA PRO 101 -0.123 -13.974 -6.733 519 1HB PRO 101 2HB PRO 101 -1.062 -14.190 -4.168 520 2HB PRO 101 3HB PRO 101 0.623 -13.778 -4.552 521 1HG PRO 101 2HG PRO 101 -1.572 -11.819 -3.797 522 2HG PRO 101 3HG PRO 101 0.085 -11.914 -3.176 523 1HD PRO 101 2HD PRO 101 -0.663 -10.220 -5.191 524 2HD PRO 101 3HD PRO 101 0.969 -10.944 -5.106 525 H ASP 102 H ASP 102 -2.781 -13.021 -4.637 526 HA ASP 102 HA ASP 102 -4.811 -14.173 -6.316 527 1HB ASP 102 2HB ASP 102 -4.561 -12.939 -3.573 528 2HB ASP 102 3HB ASP 102 -6.139 -12.891 -4.321 529 H LEU 103 H LEU 103 -3.746 -12.409 -7.949 530 HA LEU 103 HA LEU 103 -3.792 -10.528 -9.101 531 1HB LEU 103 2HB LEU 103 -5.636 -10.333 -10.471 532 2HB LEU 103 3HB LEU 103 -5.587 -12.014 -9.977 533 HG LEU 103 HG LEU 103 -7.281 -10.510 -8.115 534 1HD1 LEU 103 1HD1 LEU 103 -9.041 -9.797 -9.662 535 2HD1 LEU 103 2HD1 LEU 103 -7.548 -8.899 -9.962 536 3HD1 LEU 103 3HD1 LEU 103 -8.021 -10.220 -11.054 537 1HD2 LEU 103 1HD2 LEU 103 -7.950 -12.626 -10.202 538 2HD2 LEU 103 2HD2 LEU 103 -7.417 -12.943 -8.535 539 3HD2 LEU 103 3HD2 LEU 103 -8.969 -12.136 -8.832 540 H PHE 104 H PHE 104 -4.560 -9.898 -6.120 541 HA PHE 104 HA PHE 104 -4.771 -8.022 -4.870 542 1HB PHE 104 2HB PHE 104 -3.794 -6.520 -6.550 543 2HB PHE 104 3HB PHE 104 -5.334 -6.442 -7.395 544 HD1 PHE 104 1HD PHE 104 -6.865 -4.806 -6.905 545 HD2 PHE 104 2HD PHE 104 -3.794 -5.741 -4.029 546 HE1 PHE 104 1HE PHE 104 -7.117 -2.554 -5.898 547 HE2 PHE 104 2HE PHE 104 -4.310 -3.617 -2.836 548 HZ PHE 104 HZ PHE 104 -5.828 -1.971 -3.839 549 H ARG 105 H ARG 105 -6.453 -8.940 -3.879 550 HA ARG 105 HA ARG 105 -9.141 -9.150 -4.991 551 1HB ARG 105 2HB ARG 105 -8.055 -9.465 -2.156 552 2HB ARG 105 3HB ARG 105 -9.685 -9.878 -2.656 553 1HG ARG 105 2HG ARG 105 -7.215 -11.154 -3.838 554 2HG ARG 105 3HG ARG 105 -8.024 -11.765 -2.386 555 1HD ARG 105 2HD ARG 105 -10.156 -11.903 -3.693 556 2HD ARG 105 3HD ARG 105 -9.202 -11.630 -5.178 557 HE ARG 105 HE ARG 105 -7.867 -13.756 -4.018 558 1HH1 ARG 105 2HH2 ARG 105 -11.290 -13.294 -4.749 559 2HH1 ARG 105 1HH2 ARG 105 -11.617 -14.999 -4.862 560 1HH2 ARG 105 1HH1 ARG 105 -8.203 -15.820 -4.192 561 2HH2 ARG 105 2HH1 ARG 105 -9.771 -16.556 -4.523 562 H GLU 106 H GLU 106 -10.066 -7.009 -5.423 563 HA GLU 106 HA GLU 106 -9.775 -4.966 -3.420 564 1HB GLU 106 2HB GLU 106 -11.744 -5.072 -5.736 565 2HB GLU 106 3HB GLU 106 -11.190 -3.652 -4.846 566 1HG GLU 106 2HG GLU 106 -9.717 -3.452 -6.572 567 2HG GLU 106 3HG GLU 106 -8.795 -4.625 -5.621 568 H GLY 107 H GLY 107 -11.614 -3.767 -2.451 569 1HA GLY 107 1HA GLY 107 -13.521 -3.570 -1.276 570 2HA GLY 107 2HA GLY 107 -14.209 -4.824 -2.312 571 H GLN 108 H GLN 108 -11.366 -5.769 -0.427 572 HA GLN 108 HA GLN 108 -13.021 -6.721 1.845 573 1HB GLN 108 2HB GLN 108 -12.663 -9.044 1.388 574 2HB GLN 108 3HB GLN 108 -13.454 -8.294 -0.007 575 1HG GLN 108 2HG GLN 108 -10.924 -8.094 -0.935 576 2HG GLN 108 3HG GLN 108 -10.598 -9.355 0.231 577 1HE2 GLN 108 1HE2 GLN 108 -12.624 -8.485 -2.589 578 2HE2 GLN 108 2HE2 GLN 108 -12.940 -10.144 -3.080 579 H GLY 109 H GLY 109 -10.912 -5.143 1.628 580 1HA GLY 109 1HA GLY 109 -8.698 -4.703 1.984 581 2HA GLY 109 2HA GLY 109 -9.075 -5.321 3.616 582 H ILE 110 H ILE 110 -6.555 -5.040 2.155 583 HA ILE 110 HA ILE 110 -5.610 -7.809 2.407 584 HB ILE 110 HB ILE 110 -4.344 -7.791 0.337 585 1HG1 ILE 110 2HG1 ILE 110 -5.657 -5.910 -1.319 586 2HG1 ILE 110 3HG1 ILE 110 -5.184 -5.003 0.131 587 1HG2 ILE 110 1HG2 ILE 110 -7.285 -7.394 -0.315 588 2HG2 ILE 110 2HG2 ILE 110 -6.079 -8.313 -1.232 589 3HG2 ILE 110 3HG2 ILE 110 -6.587 -8.874 0.369 590 1HD1 ILE 110 1HD1 ILE 110 -2.893 -6.013 -0.085 591 2HD1 ILE 110 2HD1 ILE 110 -3.441 -6.774 -1.607 592 3HD1 ILE 110 3HD1 ILE 110 -3.360 -4.997 -1.458 593 H VAL 111 H VAL 111 -3.182 -7.802 2.454 594 HA VAL 111 HA VAL 111 -2.251 -5.263 3.750 595 HB VAL 111 HB VAL 111 -0.659 -6.784 4.964 596 1HG1 VAL 111 1HG1 VAL 111 -2.571 -5.778 6.112 597 2HG1 VAL 111 2HG1 VAL 111 -3.634 -7.095 5.584 598 3HG1 VAL 111 3HG1 VAL 111 -2.302 -7.413 6.718 599 1HG2 VAL 111 1HG2 VAL 111 -1.124 -8.811 3.493 600 2HG2 VAL 111 2HG2 VAL 111 -1.145 -9.117 5.235 601 3HG2 VAL 111 3HG2 VAL 111 -2.671 -8.988 4.334 602 H ALA 112 H ALA 112 -0.383 -4.410 2.959 603 HA ALA 112 HA ALA 112 1.033 -5.899 0.784 604 1HB ALA 112 1HB ALA 112 -0.470 -3.935 0.032 605 2HB ALA 112 2HB ALA 112 0.717 -2.895 0.842 606 3HB ALA 112 3HB ALA 112 1.235 -3.937 -0.487 607 H GLN 113 H GLN 113 3.224 -6.146 1.164 608 HA GLN 113 HA GLN 113 4.403 -4.526 3.383 609 1HB GLN 113 2HB GLN 113 5.513 -7.063 2.305 610 2HB GLN 113 3HB GLN 113 5.824 -6.314 3.846 611 1HG GLN 113 2HG GLN 113 3.643 -7.003 4.671 612 2HG GLN 113 3HG GLN 113 3.108 -7.551 3.102 613 1HE2 GLN 113 1HE2 GLN 113 4.292 -9.205 2.000 614 2HE2 GLN 113 2HE2 GLN 113 5.134 -10.466 2.907 615 H GLY 114 H GLY 114 6.248 -3.321 2.999 616 1HA GLY 114 1HA GLY 114 8.211 -3.949 1.159 617 2HA GLY 114 2HA GLY 114 7.089 -2.927 0.269 618 H VAL 115 H VAL 115 8.406 -1.149 0.034 619 HA VAL 115 HA VAL 115 9.550 0.035 2.513 620 HB VAL 115 HB VAL 115 11.227 -1.078 1.079 621 1HG1 VAL 115 1HG1 VAL 115 10.572 1.059 -0.986 622 2HG1 VAL 115 2HG1 VAL 115 11.887 -0.126 -1.056 623 3HG1 VAL 115 3HG1 VAL 115 10.208 -0.678 -1.142 624 1HG2 VAL 115 1HG2 VAL 115 11.911 0.751 2.532 625 2HG2 VAL 115 2HG2 VAL 115 12.833 0.771 1.027 626 3HG2 VAL 115 3HG2 VAL 115 11.528 1.943 1.271 627 H LEU 116 H LEU 116 9.409 2.225 2.750 628 HA LEU 116 HA LEU 116 7.356 3.652 1.326 629 1HB LEU 116 2HB LEU 116 9.779 4.414 3.030 630 2HB LEU 116 3HB LEU 116 8.964 5.693 2.145 631 HG LEU 116 HG LEU 116 8.297 5.472 4.535 632 1HD1 LEU 116 1HD1 LEU 116 6.951 6.688 2.960 633 2HD1 LEU 116 2HD1 LEU 116 6.129 5.213 2.425 634 3HD1 LEU 116 3HD1 LEU 116 5.891 5.806 4.080 635 1HD2 LEU 116 1HD2 LEU 116 8.216 3.037 4.773 636 2HD2 LEU 116 2HD2 LEU 116 6.671 3.782 5.197 637 3HD2 LEU 116 3HD2 LEU 116 6.846 2.949 3.642 638 H GLY 117 H GLY 117 7.397 5.087 -0.422 639 1HA GLY 117 1HA GLY 117 9.451 4.488 -2.430 640 2HA GLY 117 2HA GLY 117 7.955 5.417 -2.610 641 H GLU 118 H GLU 118 8.559 7.372 -3.323 642 HA GLU 118 HA GLU 118 11.042 8.643 -2.822 643 1HB GLU 118 2HB GLU 118 9.670 8.972 -4.819 644 2HB GLU 118 3HB GLU 118 8.380 9.723 -3.884 645 1HG GLU 118 2HG GLU 118 9.927 11.597 -3.308 646 2HG GLU 118 3HG GLU 118 11.204 10.802 -4.249 647 H ASP 119 H ASP 119 8.001 10.307 -2.010 648 HA ASP 119 HA ASP 119 8.429 10.181 0.842 649 1HB ASP 119 2HB ASP 119 10.029 12.019 0.135 650 2HB ASP 119 3HB ASP 119 8.653 12.908 -0.538 651 H GLY 120 H GLY 120 6.431 9.054 -0.044 652 1HA GLY 120 1HA GLY 120 3.999 10.246 0.542 653 2HA GLY 120 2HA GLY 120 4.279 10.662 -1.154 654 H LYS 121 H LYS 121 5.284 8.607 -2.413 655 HA LYS 121 HA LYS 121 3.049 6.726 -2.375 656 1HB LYS 121 2HB LYS 121 4.850 7.721 -4.340 657 2HB LYS 121 3HB LYS 121 5.315 6.041 -4.131 658 1HG LYS 121 2HG LYS 121 3.717 5.902 -5.810 659 2HG LYS 121 3HG LYS 121 2.796 5.488 -4.370 660 1HD LYS 121 2HD LYS 121 1.402 6.986 -5.498 661 2HD LYS 121 3HD LYS 121 2.153 8.023 -4.274 662 1HE LYS 121 2HE LYS 121 3.719 8.886 -6.008 663 2HE LYS 121 3HE LYS 121 3.086 7.726 -7.186 664 1HZ LYS 121 1HZ LYS 121 2.152 9.880 -7.508 665 2HZ LYS 121 2HZ LYS 121 0.966 8.837 -7.059 666 3HZ LYS 121 3HZ LYS 121 1.556 9.931 -5.977 667 H LEU 122 H LEU 122 3.406 4.290 -2.357 668 HA LEU 122 HA LEU 122 5.780 3.495 -0.704 669 1HB LEU 122 2HB LEU 122 2.916 2.495 -0.481 670 2HB LEU 122 3HB LEU 122 4.337 1.787 0.296 671 HG LEU 122 HG LEU 122 4.588 4.443 1.025 672 1HD1 LEU 122 1HD1 LEU 122 2.481 5.243 1.829 673 2HD1 LEU 122 2HD1 LEU 122 2.422 5.021 0.073 674 3HD1 LEU 122 3HD1 LEU 122 1.636 3.830 1.144 675 1HD2 LEU 122 1HD2 LEU 122 4.817 2.434 2.503 676 2HD2 LEU 122 2HD2 LEU 122 3.854 3.718 3.254 677 3HD2 LEU 122 3HD2 LEU 122 3.046 2.296 2.555 678 H ALA 123 H ALA 123 6.856 1.716 -1.314 679 HA ALA 123 HA ALA 123 6.042 0.477 -3.931 680 1HB ALA 123 1HB ALA 123 8.181 1.632 -4.010 681 2HB ALA 123 2HB ALA 123 8.754 0.727 -2.595 682 3HB ALA 123 3HB ALA 123 8.416 -0.126 -4.117 683 H ALA 124 H ALA 124 4.810 -1.305 -3.426 684 HA ALA 124 HA ALA 124 5.924 -3.201 -1.405 685 1HB ALA 124 1HB ALA 124 4.133 -1.897 -0.290 686 2HB ALA 124 2HB ALA 124 3.010 -2.414 -1.574 687 3HB ALA 124 3HB ALA 124 3.713 -3.612 -0.491 688 H THR 125 H THR 125 6.414 -4.977 -2.366 689 HA THR 125 HA THR 125 4.787 -5.911 -4.675 690 HB THR 125 HB THR 125 7.086 -5.299 -5.216 691 HG1 THR 125 1HG THR 125 6.071 -6.991 -6.347 692 1HG2 THR 125 1HG2 THR 125 8.216 -5.861 -3.051 693 2HG2 THR 125 2HG2 THR 125 7.927 -7.587 -3.380 694 3HG2 THR 125 3HG2 THR 125 8.971 -6.641 -4.449 695 H GLU 126 H GLU 126 5.502 -6.658 -1.336 696 HA GLU 126 HA GLU 126 4.765 -9.538 -1.780 697 1HB GLU 126 2HB GLU 126 5.900 -8.136 0.626 698 2HB GLU 126 3HB GLU 126 5.600 -9.878 0.453 699 1HG GLU 126 2HG GLU 126 7.421 -10.010 -1.164 700 2HG GLU 126 3HG GLU 126 7.658 -8.249 -1.081 701 H VAL 127 H VAL 127 2.450 -8.847 -2.211 702 HA VAL 127 HA VAL 127 1.047 -7.896 0.222 703 HB VAL 127 HB VAL 127 -0.978 -7.818 -1.086 704 1HG1 VAL 127 1HG1 VAL 127 -0.114 -5.773 -1.221 705 2HG1 VAL 127 2HG1 VAL 127 1.379 -6.246 -2.046 706 3HG1 VAL 127 3HG1 VAL 127 -0.165 -6.138 -2.932 707 1HG2 VAL 127 1HG2 VAL 127 -0.795 -9.659 -2.544 708 2HG2 VAL 127 2HG2 VAL 127 -1.029 -8.200 -3.483 709 3HG2 VAL 127 3HG2 VAL 127 0.587 -8.954 -3.400 710 H LEU 128 H LEU 128 -0.604 -9.007 1.216 711 HA LEU 128 HA LEU 128 -0.947 -11.878 0.493 712 1HB LEU 128 2HB LEU 128 -1.114 -11.051 3.386 713 2HB LEU 128 3HB LEU 128 -1.010 -12.640 2.674 714 HG LEU 128 HG LEU 128 0.916 -12.210 3.911 715 1HD1 LEU 128 1HD1 LEU 128 2.710 -12.675 2.423 716 2HD1 LEU 128 2HD1 LEU 128 1.254 -13.463 1.784 717 3HD1 LEU 128 3HD1 LEU 128 1.868 -11.969 1.047 718 1HD2 LEU 128 1HD2 LEU 128 2.426 -10.477 3.786 719 2HD2 LEU 128 2HD2 LEU 128 1.772 -9.801 2.284 720 3HD2 LEU 128 3HD2 LEU 128 0.864 -9.677 3.802 721 H ALA 129 H ALA 129 -3.104 -12.532 0.577 722 HA ALA 129 HA ALA 129 -5.162 -10.460 1.260 723 1HB ALA 129 1HB ALA 129 -4.876 -10.724 -1.174 724 2HB ALA 129 2HB ALA 129 -5.122 -12.478 -1.025 725 3HB ALA 129 3HB ALA 129 -6.443 -11.357 -0.634 726 H LYS 130 H LYS 130 -4.847 -11.713 3.427 727 HA LYS 130 HA LYS 130 -6.100 -14.382 3.410 728 1HB LYS 130 2HB LYS 130 -5.418 -14.634 5.616 729 2HB LYS 130 3HB LYS 130 -4.057 -14.040 4.681 730 1HG LYS 130 2HG LYS 130 -5.735 -12.318 6.591 731 2HG LYS 130 3HG LYS 130 -4.293 -13.211 7.008 732 1HD LYS 130 2HD LYS 130 -3.190 -11.793 5.014 733 2HD LYS 130 3HD LYS 130 -4.601 -10.752 5.289 734 1HE LYS 130 2HE LYS 130 -2.888 -9.844 6.670 735 2HE LYS 130 3HE LYS 130 -3.990 -10.685 7.757 736 1HZ LYS 130 1HZ LYS 130 -2.426 -12.540 7.760 737 2HZ LYS 130 2HZ LYS 130 -1.415 -11.732 6.745 738 3HZ LYS 130 3HZ LYS 130 -1.696 -11.158 8.260 739 H HIS 131 H HID 131 -7.983 -12.580 2.548 740 HA HIS 131 HA HID 131 -9.961 -12.557 4.782 741 1HB HIS 131 2HB HID 131 -9.296 -10.153 3.066 742 2HB HIS 131 3HB HID 131 -10.616 -10.246 4.238 743 HD1 HIS 131 1HD HID 131 -7.843 -8.368 4.090 744 HD2 HIS 131 2HD HID 131 -9.074 -11.290 6.837 745 HE1 HIS 131 1HE HID 131 -6.623 -7.859 6.298 746 H ASP 132 H ASP 132 -10.365 -14.509 3.255 747 HA ASP 132 HA ASP 132 -11.822 -13.806 0.787 748 1HB ASP 132 2HB ASP 132 -11.573 -16.224 0.383 749 2HB ASP 132 3HB ASP 132 -10.016 -15.434 0.674 Start of MODEL 14 1 H SER 32 H SER 32 18.972 -0.921 9.529 2 HA SER 32 HA SER 32 16.691 0.737 10.375 3 1HB SER 32 2HB SER 32 17.311 1.333 7.957 4 2HB SER 32 3HB SER 32 16.954 -0.349 7.535 5 HG SER 32 HG SER 32 15.230 1.646 8.565 6 H ASN 33 H ASN 33 15.106 -0.597 11.185 7 HA ASN 33 HA ASN 33 14.816 -3.396 10.469 8 1HB ASN 33 2HB ASN 33 15.493 -4.338 12.604 9 2HB ASN 33 3HB ASN 33 16.863 -3.561 11.824 10 1HD2 ASN 33 1HD2 ASN 33 15.405 -3.948 14.796 11 2HD2 ASN 33 2HD2 ASN 33 16.036 -2.504 15.571 12 H LEU 34 H LEU 34 12.871 -1.747 10.164 13 HA LEU 34 HA LEU 34 11.020 -2.148 12.472 14 1HB LEU 34 2HB LEU 34 11.501 0.298 10.749 15 2HB LEU 34 3HB LEU 34 9.922 0.022 11.486 16 HG LEU 34 HG LEU 34 12.343 -0.204 13.276 17 1HD1 LEU 34 1HD1 LEU 34 12.786 1.871 12.033 18 2HD1 LEU 34 2HD1 LEU 34 11.152 2.460 12.427 19 3HD1 LEU 34 3HD1 LEU 34 12.344 2.200 13.716 20 1HD2 LEU 34 1HD2 LEU 34 10.025 -0.693 14.098 21 2HD2 LEU 34 2HD2 LEU 34 10.763 0.685 14.932 22 3HD2 LEU 34 3HD2 LEU 34 9.548 0.963 13.671 23 H ASN 35 H ASN 35 9.193 -3.178 11.912 24 HA ASN 35 HA ASN 35 8.199 -3.315 9.167 25 1HB ASN 35 2HB ASN 35 8.469 -5.752 8.977 26 2HB ASN 35 3HB ASN 35 10.017 -4.912 8.999 27 1HD2 ASN 35 1HD2 ASN 35 8.574 -7.676 10.133 28 2HD2 ASN 35 2HD2 ASN 35 9.530 -7.881 11.594 29 H LEU 36 H LEU 36 6.183 -2.512 10.128 30 HA LEU 36 HA LEU 36 4.708 -4.640 11.576 31 1HB LEU 36 2HB LEU 36 3.874 -3.249 13.236 32 2HB LEU 36 3HB LEU 36 5.626 -3.119 13.311 33 HG LEU 36 HG LEU 36 3.856 -1.032 11.927 34 1HD1 LEU 36 1HD1 LEU 36 4.770 -1.209 14.821 35 2HD1 LEU 36 2HD1 LEU 36 4.092 0.241 14.064 36 3HD1 LEU 36 3HD1 LEU 36 3.099 -1.216 14.212 37 1HD2 LEU 36 1HD2 LEU 36 5.785 0.467 12.406 38 2HD2 LEU 36 2HD2 LEU 36 6.698 -0.913 13.046 39 3HD2 LEU 36 3HD2 LEU 36 6.251 -0.844 11.326 40 H PHE 37 H PHE 37 2.417 -4.273 11.692 41 HA PHE 37 HA PHE 37 1.351 -3.363 9.115 42 1HB PHE 37 2HB PHE 37 0.098 -4.821 11.453 43 2HB PHE 37 3HB PHE 37 -0.762 -4.320 10.010 44 HD1 PHE 37 1HD PHE 37 1.122 -7.015 11.443 45 HD2 PHE 37 2HD PHE 37 0.120 -5.112 7.705 46 HE1 PHE 37 1HE PHE 37 1.722 -9.088 10.222 47 HE2 PHE 37 2HE PHE 37 0.886 -7.133 6.483 48 HZ PHE 37 HZ PHE 37 1.576 -9.160 7.732 49 H TYR 38 H TYR 38 0.582 -1.348 8.872 50 HA TYR 38 HA TYR 38 -0.859 -0.089 11.130 51 1HB TYR 38 2HB TYR 38 1.606 0.920 9.865 52 2HB TYR 38 3HB TYR 38 0.273 2.034 9.627 53 HD1 TYR 38 HD1 TYR 38 -1.284 2.375 11.835 54 HD2 TYR 38 HD2 TYR 38 2.920 1.405 11.779 55 HE1 TYR 38 HE1 TYR 38 -1.068 3.196 14.147 56 HE2 TYR 38 HE2 TYR 38 3.154 2.362 14.050 57 HH TYR 38 HH TYR 38 2.055 3.171 15.897 58 H THR 39 H THR 39 -2.443 1.560 10.347 59 HA THR 39 HA THR 39 -3.764 0.540 7.980 60 HB THR 39 HB THR 39 -5.484 2.200 8.666 61 HG1 THR 39 1HG THR 39 -4.849 3.728 9.939 62 1HG2 THR 39 1HG2 THR 39 -4.526 0.453 10.978 63 2HG2 THR 39 2HG2 THR 39 -6.159 1.105 10.728 64 3HG2 THR 39 3HG2 THR 39 -5.513 -0.098 9.599 65 HA PRO 40 HA PRO 40 -2.034 3.576 5.269 66 1HB PRO 40 2HB PRO 40 -3.967 4.084 3.472 67 2HB PRO 40 3HB PRO 40 -3.091 2.556 3.527 68 1HG PRO 40 2HG PRO 40 -5.772 3.109 4.767 69 2HG PRO 40 3HG PRO 40 -5.328 1.736 3.714 70 1HD PRO 40 2HD PRO 40 -5.300 1.414 6.405 71 2HD PRO 40 3HD PRO 40 -3.978 0.739 5.423 72 H SER 41 H SER 41 -5.119 4.207 6.984 73 HA SER 41 HA SER 41 -5.301 7.003 6.761 74 1HB SER 41 2HB SER 41 -6.316 6.653 9.133 75 2HB SER 41 3HB SER 41 -7.101 5.955 7.708 76 HG SER 41 HG SER 41 -6.956 4.310 9.197 77 H GLU 42 H GLU 42 -2.957 5.021 8.547 78 HA GLU 42 HA GLU 42 -2.123 7.275 10.208 79 1HB GLU 42 2HB GLU 42 -2.140 4.649 10.679 80 2HB GLU 42 3HB GLU 42 -0.556 4.728 9.904 81 1HG GLU 42 2HG GLU 42 -0.161 4.980 12.237 82 2HG GLU 42 3HG GLU 42 -0.014 6.606 11.611 83 H ILE 43 H ILE 43 -1.544 6.380 6.935 84 HA ILE 43 HA ILE 43 1.000 7.931 6.890 85 HB ILE 43 HB ILE 43 1.810 6.333 5.140 86 1HG1 ILE 43 2HG1 ILE 43 -0.252 4.438 6.294 87 2HG1 ILE 43 3HG1 ILE 43 -0.483 5.315 4.761 88 1HG2 ILE 43 1HG2 ILE 43 2.743 4.810 6.774 89 2HG2 ILE 43 2HG2 ILE 43 2.611 6.405 7.512 90 3HG2 ILE 43 3HG2 ILE 43 1.430 5.146 7.920 91 1HD1 ILE 43 1HD1 ILE 43 1.579 4.286 3.864 92 2HD1 ILE 43 2HD1 ILE 43 1.740 3.339 5.360 93 3HD1 ILE 43 3HD1 ILE 43 0.347 3.086 4.299 94 H VAL 44 H VAL 44 -1.614 9.022 6.365 95 HA VAL 44 HA VAL 44 -1.334 9.591 3.416 96 HB VAL 44 HB VAL 44 -3.789 10.140 3.542 97 1HG1 VAL 44 1HG1 VAL 44 -4.411 7.652 3.476 98 2HG1 VAL 44 2HG1 VAL 44 -3.222 8.278 2.330 99 3HG1 VAL 44 3HG1 VAL 44 -2.681 7.348 3.735 100 1HG2 VAL 44 1HG2 VAL 44 -3.728 8.405 6.017 101 2HG2 VAL 44 2HG2 VAL 44 -3.883 10.166 6.097 102 3HG2 VAL 44 3HG2 VAL 44 -5.136 9.209 5.296 103 H ASN 45 H ASN 45 -1.490 11.022 6.627 104 HA ASN 45 HA ASN 45 -1.228 13.694 5.362 105 1HB ASN 45 2HB ASN 45 -3.108 13.097 7.686 106 2HB ASN 45 3HB ASN 45 -2.738 14.678 6.991 107 1HD2 ASN 45 1HD2 ASN 45 -4.937 12.063 6.886 108 2HD2 ASN 45 2HD2 ASN 45 -5.725 12.518 5.386 109 H GLY 46 H GLY 46 0.428 14.736 6.295 110 1HA GLY 46 1HA GLY 46 1.972 15.430 7.890 111 2HA GLY 46 2HA GLY 46 1.152 14.464 9.099 112 H LYS 47 H LYS 47 1.367 12.185 8.884 113 HA LYS 47 HA LYS 47 3.790 11.210 9.517 114 1HB LYS 47 2HB LYS 47 1.250 9.898 8.569 115 2HB LYS 47 3HB LYS 47 2.627 8.949 9.166 116 1HG LYS 47 2HG LYS 47 2.400 9.701 11.328 117 2HG LYS 47 3HG LYS 47 1.866 11.316 10.865 118 1HD LYS 47 2HD LYS 47 -0.402 10.278 10.332 119 2HD LYS 47 3HD LYS 47 0.217 8.804 11.115 120 1HE LYS 47 2HE LYS 47 0.747 10.095 13.168 121 2HE LYS 47 3HE LYS 47 -0.025 11.524 12.448 122 1HZ LYS 47 1HZ LYS 47 -1.306 8.931 13.029 123 2HZ LYS 47 2HZ LYS 47 -1.533 10.292 13.883 124 3HZ LYS 47 3HZ LYS 47 -2.077 10.179 12.330 125 H THR 48 H THR 48 2.490 9.647 6.485 126 HA THR 48 HA THR 48 5.244 9.698 5.432 127 HB THR 48 HB THR 48 2.613 8.830 4.211 128 HG1 THR 48 1HG THR 48 4.896 7.470 5.220 129 1HG2 THR 48 1HG2 THR 48 4.086 7.717 2.513 130 2HG2 THR 48 2HG2 THR 48 4.045 9.479 2.398 131 3HG2 THR 48 3HG2 THR 48 5.453 8.691 3.127 132 H ASP 49 H ASP 49 2.156 11.351 4.663 133 HA ASP 49 HA ASP 49 2.823 12.667 2.392 134 1HB ASP 49 2HB ASP 49 0.610 12.603 3.402 135 2HB ASP 49 3HB ASP 49 1.160 13.665 4.713 136 H THR 50 H THR 50 3.750 13.733 5.673 137 HA THR 50 HA THR 50 5.511 15.855 4.513 138 HB THR 50 HB THR 50 3.890 15.955 7.081 139 HG1 THR 50 1HG THR 50 3.109 16.444 4.628 140 1HG2 THR 50 1HG2 THR 50 4.418 18.376 7.086 141 2HG2 THR 50 2HG2 THR 50 5.739 17.314 7.542 142 3HG2 THR 50 3HG2 THR 50 5.711 18.042 5.906 143 H GLY 51 H GLY 51 5.817 12.892 5.299 144 1HA GLY 51 1HA GLY 51 7.225 11.515 6.466 145 2HA GLY 51 2HA GLY 51 8.338 12.834 6.200 146 H VAL 52 H VAL 52 5.471 12.951 8.598 147 HA VAL 52 HA VAL 52 7.610 14.128 10.309 148 HB VAL 52 HB VAL 52 5.997 14.883 11.828 149 1HG1 VAL 52 1HG1 VAL 52 4.898 16.476 10.347 150 2HG1 VAL 52 2HG1 VAL 52 6.546 16.164 9.768 151 3HG1 VAL 52 3HG1 VAL 52 5.159 15.406 8.958 152 1HG2 VAL 52 1HG2 VAL 52 3.988 13.432 10.123 153 2HG2 VAL 52 2HG2 VAL 52 4.271 13.189 11.855 154 3HG2 VAL 52 3HG2 VAL 52 3.558 14.712 11.261 155 H LYS 53 H LYS 53 5.557 11.265 10.560 156 HA LYS 53 HA LYS 53 7.020 10.371 12.990 157 1HB LYS 53 2HB LYS 53 4.495 9.512 11.645 158 2HB LYS 53 3HB LYS 53 5.258 8.486 12.848 159 1HG LYS 53 2HG LYS 53 4.634 11.416 13.442 160 2HG LYS 53 3HG LYS 53 3.370 10.195 13.481 161 1HD LYS 53 2HD LYS 53 5.193 8.897 15.019 162 2HD LYS 53 3HD LYS 53 5.736 10.557 15.314 163 1HE LYS 53 2HE LYS 53 3.403 11.151 16.042 164 2HE LYS 53 3HE LYS 53 2.879 9.500 15.659 165 1HZ LYS 53 1HZ LYS 53 3.266 9.736 17.983 166 2HZ LYS 53 2HZ LYS 53 4.377 8.697 17.368 167 3HZ LYS 53 3HZ LYS 53 4.813 10.237 17.754 168 HA PRO 54 HA PRO 54 8.236 6.719 10.208 169 1HB PRO 54 2HB PRO 54 7.409 6.412 7.643 170 2HB PRO 54 3HB PRO 54 6.310 6.018 8.999 171 1HG PRO 54 2HG PRO 54 6.453 8.641 7.464 172 2HG PRO 54 3HG PRO 54 5.007 7.618 7.720 173 1HD PRO 54 2HD PRO 54 5.586 9.694 9.354 174 2HD PRO 54 3HD PRO 54 4.913 8.167 10.007 175 H GLU 55 H GLU 55 9.963 6.484 8.514 176 HA GLU 55 HA GLU 55 10.823 9.064 7.276 177 1HB GLU 55 2HB GLU 55 12.558 6.858 8.463 178 2HB GLU 55 3HB GLU 55 13.111 8.153 7.396 179 1HG GLU 55 2HG GLU 55 12.048 9.797 9.110 180 2HG GLU 55 3HG GLU 55 11.966 8.411 10.207 181 H ALA 56 H ALA 56 10.906 9.033 5.141 182 HA ALA 56 HA ALA 56 10.211 6.827 3.553 183 1HB ALA 56 1HB ALA 56 11.093 8.156 1.661 184 2HB ALA 56 2HB ALA 56 10.013 9.061 2.732 185 3HB ALA 56 3HB ALA 56 11.769 9.330 2.816 186 H GLY 57 H GLY 57 11.354 4.990 3.458 187 1HA GLY 57 1HA GLY 57 13.500 4.137 2.363 188 2HA GLY 57 2HA GLY 57 14.311 4.986 3.700 189 H GLN 58 H GLN 58 11.753 4.229 5.377 190 HA GLN 58 HA GLN 58 12.883 1.679 6.370 191 1HB GLN 58 2HB GLN 58 10.783 3.630 7.357 192 2HB GLN 58 3HB GLN 58 10.971 2.009 8.061 193 1HG GLN 58 2HG GLN 58 13.247 2.405 8.681 194 2HG GLN 58 3HG GLN 58 13.312 3.935 7.789 195 1HE2 GLN 58 1HE2 GLN 58 10.360 3.304 9.626 196 2HE2 GLN 58 2HE2 GLN 58 10.778 4.397 10.938 197 H ARG 59 H ARG 59 11.550 -0.154 6.712 198 HA ARG 59 HA ARG 59 9.545 -0.520 4.585 199 1HB ARG 59 2HB ARG 59 10.681 -2.556 6.569 200 2HB ARG 59 3HB ARG 59 9.604 -2.896 5.209 201 1HG ARG 59 2HG ARG 59 11.458 -1.823 3.732 202 2HG ARG 59 3HG ARG 59 12.499 -1.997 5.157 203 1HD ARG 59 2HD ARG 59 11.580 -4.485 5.151 204 2HD ARG 59 3HD ARG 59 11.197 -4.172 3.462 205 HE ARG 59 HE ARG 59 13.744 -4.731 4.670 206 1HH1 ARG 59 2HH2 ARG 59 12.362 -2.792 2.085 207 2HH1 ARG 59 1HH2 ARG 59 13.828 -2.668 1.157 208 1HH2 ARG 59 1HH1 ARG 59 15.717 -4.594 3.494 209 2HH2 ARG 59 2HH1 ARG 59 15.790 -3.735 1.994 210 H ILE 60 H ILE 60 7.419 -1.068 5.071 211 HA ILE 60 HA ILE 60 6.543 -1.373 7.814 212 HB ILE 60 HB ILE 60 4.748 0.305 7.642 213 1HG1 ILE 60 2HG1 ILE 60 6.222 1.676 5.399 214 2HG1 ILE 60 3HG1 ILE 60 5.000 0.474 5.001 215 1HG2 ILE 60 1HG2 ILE 60 6.052 2.284 8.217 216 2HG2 ILE 60 2HG2 ILE 60 6.866 0.851 8.852 217 3HG2 ILE 60 3HG2 ILE 60 7.479 1.654 7.389 218 1HD1 ILE 60 1HD1 ILE 60 4.254 2.960 5.218 219 2HD1 ILE 60 2HD1 ILE 60 3.245 1.664 5.895 220 3HD1 ILE 60 3HD1 ILE 60 4.259 2.660 6.954 221 H ARG 61 H ARG 61 4.066 -1.896 7.682 222 HA ARG 61 HA ARG 61 3.438 -3.099 5.051 223 1HB ARG 61 2HB ARG 61 2.485 -4.352 7.590 224 2HB ARG 61 3HB ARG 61 2.678 -5.055 5.991 225 1HG ARG 61 2HG ARG 61 5.202 -4.870 6.318 226 2HG ARG 61 3HG ARG 61 4.903 -4.270 7.940 227 1HD ARG 61 2HD ARG 61 3.389 -6.637 7.791 228 2HD ARG 61 3HD ARG 61 4.892 -7.019 6.959 229 HE ARG 61 HE ARG 61 5.330 -5.618 9.474 230 1HH1 ARG 61 2HH2 ARG 61 4.522 -8.771 8.165 231 2HH1 ARG 61 1HH2 ARG 61 5.119 -9.680 9.523 232 1HH2 ARG 61 1HH1 ARG 61 6.227 -6.759 11.253 233 2HH2 ARG 61 2HH1 ARG 61 5.982 -8.474 11.405 234 H VAL 62 H VAL 62 1.662 -2.202 4.211 235 HA VAL 62 HA VAL 62 -0.057 -0.482 5.910 236 HB VAL 62 HB VAL 62 0.852 0.592 3.981 237 1HG1 VAL 62 1HG1 VAL 62 0.322 0.016 1.691 238 2HG1 VAL 62 2HG1 VAL 62 1.194 -1.324 2.426 239 3HG1 VAL 62 3HG1 VAL 62 -0.574 -1.418 2.197 240 1HG2 VAL 62 1HG2 VAL 62 -2.113 0.001 3.579 241 2HG2 VAL 62 2HG2 VAL 62 -1.424 1.172 4.728 242 3HG2 VAL 62 3HG2 VAL 62 -1.208 1.404 2.979 243 H GLY 63 H GLY 63 -1.920 -1.393 6.678 244 1HA GLY 63 1HA GLY 63 -3.158 -3.673 5.160 245 2HA GLY 63 2HA GLY 63 -2.941 -3.681 6.915 246 H GLY 64 H GLY 64 -5.227 -3.271 4.580 247 1HA GLY 64 1HA GLY 64 -7.108 -1.878 6.225 248 2HA GLY 64 2HA GLY 64 -6.476 -0.811 4.946 249 H MET 65 H MET 65 -8.697 -0.906 4.006 250 HA MET 65 HA MET 65 -9.327 -3.527 2.721 251 1HB MET 65 2HB MET 65 -11.542 -2.620 2.254 252 2HB MET 65 3HB MET 65 -11.198 -2.945 3.947 253 1HG MET 65 2HG MET 65 -10.732 -0.146 2.937 254 2HG MET 65 3HG MET 65 -12.398 -0.696 3.074 255 1HE MET 65 1HE MET 65 -13.628 -1.309 5.235 256 2HE MET 65 2HE MET 65 -12.420 -2.526 5.710 257 3HE MET 65 3HE MET 65 -12.900 -1.263 6.859 258 H VAL 66 H VAL 66 -9.316 -3.763 0.625 259 HA VAL 66 HA VAL 66 -8.257 -1.621 -1.086 260 HB VAL 66 HB VAL 66 -9.283 -4.432 -1.707 261 1HG1 VAL 66 1HG1 VAL 66 -7.783 -2.387 -3.378 262 2HG1 VAL 66 2HG1 VAL 66 -7.918 -4.121 -3.759 263 3HG1 VAL 66 3HG1 VAL 66 -9.364 -3.128 -3.702 264 1HG2 VAL 66 1HG2 VAL 66 -6.439 -3.418 -1.274 265 2HG2 VAL 66 2HG2 VAL 66 -7.317 -4.535 -0.213 266 3HG2 VAL 66 3HG2 VAL 66 -6.905 -5.036 -1.854 267 H THR 67 H THR 67 -9.533 -0.443 -2.573 268 HA THR 67 HA THR 67 -12.486 -0.718 -2.450 269 HB THR 67 HB THR 67 -10.567 1.509 -3.086 270 HG1 THR 67 1HG THR 67 -11.980 1.150 -1.119 271 1HG2 THR 67 1HG2 THR 67 -13.400 1.430 -4.212 272 2HG2 THR 67 2HG2 THR 67 -12.293 2.818 -4.194 273 3HG2 THR 67 3HG2 THR 67 -11.907 1.416 -5.186 274 H VAL 68 H VAL 68 -13.597 -1.093 -4.310 275 HA VAL 68 HA VAL 68 -12.530 -2.900 -6.189 276 HB VAL 68 HB VAL 68 -14.834 -2.862 -5.592 277 1HG1 VAL 68 1HG1 VAL 68 -16.462 -1.279 -6.263 278 2HG1 VAL 68 2HG1 VAL 68 -15.193 -0.348 -5.461 279 3HG1 VAL 68 3HG1 VAL 68 -15.322 -0.353 -7.236 280 1HG2 VAL 68 1HG2 VAL 68 -15.827 -3.199 -7.796 281 2HG2 VAL 68 2HG2 VAL 68 -14.493 -2.323 -8.569 282 3HG2 VAL 68 3HG2 VAL 68 -14.186 -3.864 -7.740 283 H GLY 69 H GLY 69 -13.471 0.515 -6.781 284 1HA GLY 69 1HA GLY 69 -12.148 0.607 -9.387 285 2HA GLY 69 2HA GLY 69 -12.973 1.925 -8.535 286 H SER 70 H SER 70 -10.099 -0.149 -8.253 287 HA SER 70 HA SER 70 -8.428 2.262 -7.637 288 1HB SER 70 2HB SER 70 -8.658 -0.181 -5.833 289 2HB SER 70 3HB SER 70 -7.484 1.112 -5.656 290 HG SER 70 HG SER 70 -9.795 2.324 -5.915 291 H MET 71 H MET 71 -8.371 -1.286 -8.314 292 HA MET 71 HA MET 71 -5.574 -1.269 -8.692 293 1HB MET 71 2HB MET 71 -6.729 -3.341 -8.194 294 2HB MET 71 3HB MET 71 -7.819 -3.081 -9.545 295 1HG MET 71 2HG MET 71 -6.622 -4.825 -10.222 296 2HG MET 71 3HG MET 71 -5.919 -3.506 -11.146 297 1HE MET 71 1HE MET 71 -3.910 -2.385 -8.955 298 2HE MET 71 2HE MET 71 -2.436 -3.283 -9.187 299 3HE MET 71 3HE MET 71 -3.323 -2.656 -10.609 300 H VAL 72 H VAL 72 -4.396 -0.395 -10.379 301 HA VAL 72 HA VAL 72 -5.565 -0.623 -13.096 302 HB VAL 72 HB VAL 72 -4.625 1.520 -13.755 303 1HG1 VAL 72 1HG1 VAL 72 -6.630 1.780 -11.472 304 2HG1 VAL 72 2HG1 VAL 72 -6.399 2.904 -12.822 305 3HG1 VAL 72 3HG1 VAL 72 -7.023 1.275 -13.130 306 1HG2 VAL 72 1HG2 VAL 72 -4.140 1.978 -10.780 307 2HG2 VAL 72 2HG2 VAL 72 -2.928 1.953 -12.093 308 3HG2 VAL 72 3HG2 VAL 72 -4.134 3.243 -12.021 309 H ARG 73 H ARG 73 -4.352 -1.806 -14.306 310 HA ARG 73 HA ARG 73 -1.542 -2.380 -13.553 311 1HB ARG 73 2HB ARG 73 -1.783 -4.363 -14.971 312 2HB ARG 73 3HB ARG 73 -2.992 -4.373 -13.688 313 1HG ARG 73 2HG ARG 73 -4.095 -3.082 -16.038 314 2HG ARG 73 3HG ARG 73 -3.414 -4.660 -16.447 315 1HD ARG 73 2HD ARG 73 -4.800 -5.773 -14.838 316 2HD ARG 73 3HD ARG 73 -5.307 -4.231 -14.101 317 HE ARG 73 HE ARG 73 -6.014 -4.108 -16.814 318 1HH1 ARG 73 2HH2 ARG 73 -6.894 -6.032 -13.991 319 2HH1 ARG 73 1HH2 ARG 73 -8.558 -6.229 -14.429 320 1HH2 ARG 73 1HH1 ARG 73 -8.229 -4.305 -17.424 321 2HH2 ARG 73 2HH1 ARG 73 -9.328 -5.234 -16.457 322 H ASP 74 H ASP 74 0.131 -2.155 -15.147 323 HA ASP 74 HA ASP 74 -0.466 -0.271 -17.310 324 1HB ASP 74 2HB ASP 74 1.973 -1.805 -16.335 325 2HB ASP 74 3HB ASP 74 1.958 -1.096 -17.945 326 HA PRO 75 HA PRO 75 -0.984 -3.562 -20.403 327 1HB PRO 75 2HB PRO 75 -0.054 -2.302 -22.679 328 2HB PRO 75 3HB PRO 75 -1.622 -1.862 -21.938 329 1HG PRO 75 2HG PRO 75 1.058 -0.493 -21.538 330 2HG PRO 75 3HG PRO 75 -0.509 0.270 -21.936 331 1HD PRO 75 2HD PRO 75 0.425 0.160 -19.388 332 2HD PRO 75 3HD PRO 75 -1.317 -0.048 -19.724 333 H ASN 76 H ASN 76 2.009 -1.979 -19.681 334 HA ASN 76 HA ASN 76 3.882 -3.801 -20.684 335 1HB ASN 76 2HB ASN 76 3.827 -2.554 -17.892 336 2HB ASN 76 3HB ASN 76 5.226 -3.240 -18.734 337 1HD2 ASN 76 1HD2 ASN 76 3.972 -0.181 -17.958 338 2HD2 ASN 76 2HD2 ASN 76 4.649 0.606 -19.349 339 H SER 77 H SER 77 1.346 -4.310 -18.249 340 HA SER 77 HA SER 77 0.553 -6.119 -17.257 341 1HB SER 77 2HB SER 77 2.320 -7.785 -19.105 342 2HB SER 77 3HB SER 77 0.879 -8.306 -18.237 343 HG SER 77 HG SER 77 0.931 -6.239 -20.217 344 H LEU 78 H LEU 78 3.207 -4.906 -16.495 345 HA LEU 78 HA LEU 78 4.145 -6.936 -14.544 346 1HB LEU 78 2HB LEU 78 6.426 -6.148 -14.820 347 2HB LEU 78 3HB LEU 78 5.693 -7.089 -16.115 348 HG LEU 78 HG LEU 78 5.132 -4.595 -17.050 349 1HD1 LEU 78 1HD1 LEU 78 6.220 -3.605 -15.069 350 2HD1 LEU 78 2HD1 LEU 78 7.771 -4.233 -15.639 351 3HD1 LEU 78 3HD1 LEU 78 6.865 -3.052 -16.633 352 1HD2 LEU 78 1HD2 LEU 78 6.218 -5.539 -18.719 353 2HD2 LEU 78 2HD2 LEU 78 7.738 -4.999 -17.990 354 3HD2 LEU 78 3HD2 LEU 78 7.114 -6.625 -17.645 355 H HIS 79 H HID 79 3.660 -3.427 -15.234 356 HA HIS 79 HA HID 79 4.151 -2.839 -12.376 357 1HB HIS 79 2HB HID 79 3.413 -1.096 -14.735 358 2HB HIS 79 3HB HID 79 3.546 -0.517 -13.079 359 HD1 HIS 79 1HD HID 79 6.187 -1.144 -11.989 360 HD2 HIS 79 2HD HID 79 5.558 -0.656 -16.127 361 HE1 HIS 79 1HE HID 79 8.457 -0.621 -13.017 362 H VAL 80 H VAL 80 2.510 -2.768 -10.946 363 HA VAL 80 HA VAL 80 -0.250 -2.302 -11.887 364 HB VAL 80 HB VAL 80 -0.666 -4.116 -9.948 365 1HG1 VAL 80 1HG1 VAL 80 -0.395 -4.750 -12.867 366 2HG1 VAL 80 2HG1 VAL 80 -1.185 -5.787 -11.651 367 3HG1 VAL 80 3HG1 VAL 80 -1.817 -4.161 -11.945 368 1HG2 VAL 80 1HG2 VAL 80 1.749 -4.767 -9.764 369 2HG2 VAL 80 2HG2 VAL 80 0.682 -6.105 -10.194 370 3HG2 VAL 80 3HG2 VAL 80 1.676 -5.343 -11.443 371 H GLN 81 H GLN 81 -1.208 -0.729 -10.669 372 HA GLN 81 HA GLN 81 -0.122 -0.376 -7.906 373 1HB GLN 81 2HB GLN 81 -0.210 2.043 -8.177 374 2HB GLN 81 3HB GLN 81 0.987 1.310 -9.265 375 1HG GLN 81 2HG GLN 81 -0.508 1.514 -11.170 376 2HG GLN 81 3HG GLN 81 -1.834 2.013 -10.100 377 1HE2 GLN 81 1HE2 GLN 81 -2.257 4.029 -10.970 378 2HE2 GLN 81 2HE2 GLN 81 -1.073 5.321 -10.924 379 H PHE 82 H PHE 82 -1.599 0.411 -6.402 380 HA PHE 82 HA PHE 82 -4.426 0.540 -7.264 381 1HB PHE 82 2HB PHE 82 -5.069 -1.187 -5.653 382 2HB PHE 82 3HB PHE 82 -4.017 -1.833 -6.866 383 HD1 PHE 82 1HD PHE 82 -1.815 -2.712 -6.402 384 HD2 PHE 82 2HD PHE 82 -4.137 -0.842 -3.285 385 HE1 PHE 82 1HE PHE 82 -0.452 -3.863 -4.691 386 HE2 PHE 82 2HE PHE 82 -2.831 -2.080 -1.577 387 HZ PHE 82 HZ PHE 82 -1.052 -3.671 -2.282 388 H ALA 83 H ALA 83 -5.649 1.818 -5.963 389 HA ALA 83 HA ALA 83 -4.396 3.138 -3.641 390 1HB ALA 83 1HB ALA 83 -5.867 4.459 -5.091 391 2HB ALA 83 2HB ALA 83 -7.218 3.356 -4.743 392 3HB ALA 83 3HB ALA 83 -6.508 4.331 -3.441 393 H VAL 84 H VAL 84 -4.857 2.651 -1.548 394 HA VAL 84 HA VAL 84 -6.967 0.609 -0.956 395 HB VAL 84 HB VAL 84 -4.700 -0.455 -0.878 396 1HG1 VAL 84 1HG1 VAL 84 -3.422 1.520 -0.097 397 2HG1 VAL 84 2HG1 VAL 84 -4.206 1.385 1.492 398 3HG1 VAL 84 3HG1 VAL 84 -3.148 0.086 0.909 399 1HG2 VAL 84 1HG2 VAL 84 -6.481 -1.403 0.473 400 2HG2 VAL 84 2HG2 VAL 84 -4.938 -1.522 1.320 401 3HG2 VAL 84 3HG2 VAL 84 -6.114 -0.293 1.816 402 H HIS 85 H HID 85 -7.963 0.950 1.206 403 HA HIS 85 HA HID 85 -7.318 3.536 2.441 404 1HB HIS 85 2HB HID 85 -9.466 4.482 2.256 405 2HB HIS 85 3HB HID 85 -9.039 3.967 0.630 406 HD1 HIS 85 1HD HID 85 -11.828 3.695 3.030 407 HD2 HIS 85 2HD HID 85 -10.076 1.328 0.018 408 HE1 HIS 85 1HE HID 85 -13.593 1.998 2.306 409 H ASP 86 H ASP 86 -9.137 3.880 4.274 410 HA ASP 86 HA ASP 86 -9.310 1.374 5.844 411 1HB ASP 86 2HB ASP 86 -7.206 2.647 6.381 412 2HB ASP 86 3HB ASP 86 -8.207 4.029 6.850 413 H SER 87 H SER 87 -10.661 1.946 7.859 414 HA SER 87 HA SER 87 -13.196 3.151 7.246 415 1HB SER 87 2HB SER 87 -11.835 2.509 9.907 416 2HB SER 87 3HB SER 87 -13.563 2.846 9.663 417 HG SER 87 HG SER 87 -13.507 1.013 8.160 418 H LEU 88 H LEU 88 -10.107 4.261 8.661 419 HA LEU 88 HA LEU 88 -11.198 6.959 9.093 420 1HB LEU 88 2HB LEU 88 -8.610 5.564 9.691 421 2HB LEU 88 3HB LEU 88 -8.634 7.330 9.716 422 HG LEU 88 HG LEU 88 -10.726 5.780 11.252 423 1HD1 LEU 88 1HD1 LEU 88 -8.571 4.876 11.989 424 2HD1 LEU 88 2HD1 LEU 88 -7.928 6.517 12.215 425 3HD1 LEU 88 3HD1 LEU 88 -9.257 5.929 13.238 426 1HD2 LEU 88 1HD2 LEU 88 -10.729 7.833 12.626 427 2HD2 LEU 88 2HD2 LEU 88 -9.400 8.510 11.664 428 3HD2 LEU 88 3HD2 LEU 88 -10.996 8.265 10.930 429 H GLY 89 H GLY 89 -11.363 6.039 6.369 430 1HA GLY 89 1HA GLY 89 -11.297 7.125 4.355 431 2HA GLY 89 2HA GLY 89 -10.886 8.575 5.285 432 H GLY 90 H GLY 90 -8.769 5.800 5.373 433 1HA GLY 90 1HA GLY 90 -6.573 7.527 4.779 434 2HA GLY 90 2HA GLY 90 -6.523 5.797 5.157 435 H GLU 91 H GLU 91 -7.734 7.733 2.328 436 HA GLU 91 HA GLU 91 -7.080 5.619 0.517 437 1HB GLU 91 2HB GLU 91 -8.718 7.484 0.067 438 2HB GLU 91 3HB GLU 91 -7.339 8.569 -0.189 439 1HG GLU 91 2HG GLU 91 -6.531 7.033 -2.010 440 2HG GLU 91 3HG GLU 91 -7.958 6.013 -1.747 441 H ILE 92 H ILE 92 -4.978 4.874 0.285 442 HA ILE 92 HA ILE 92 -2.881 6.883 -0.383 443 HB ILE 92 HB ILE 92 -2.881 5.671 2.027 444 1HG1 ILE 92 2HG1 ILE 92 -1.342 7.421 1.586 445 2HG1 ILE 92 3HG1 ILE 92 -0.460 6.032 2.200 446 1HG2 ILE 92 1HG2 ILE 92 -1.190 3.754 0.385 447 2HG2 ILE 92 2HG2 ILE 92 -1.338 3.824 2.146 448 3HG2 ILE 92 3HG2 ILE 92 -2.749 3.404 1.164 449 1HD1 ILE 92 1HD1 ILE 92 0.140 5.536 -0.263 450 2HD1 ILE 92 2HD1 ILE 92 -0.521 7.165 -0.605 451 3HD1 ILE 92 3HD1 ILE 92 0.832 6.982 0.505 452 H LEU 93 H LEU 93 -1.464 6.237 -2.013 453 HA LEU 93 HA LEU 93 -2.414 3.998 -3.666 454 1HB LEU 93 2HB LEU 93 -0.653 6.429 -4.096 455 2HB LEU 93 3HB LEU 93 -0.548 5.084 -5.231 456 HG LEU 93 HG LEU 93 -3.209 6.405 -4.607 457 1HD1 LEU 93 1HD1 LEU 93 -1.656 8.135 -5.452 458 2HD1 LEU 93 2HD1 LEU 93 -1.206 7.082 -6.814 459 3HD1 LEU 93 3HD1 LEU 93 -2.860 7.718 -6.684 460 1HD2 LEU 93 1HD2 LEU 93 -3.264 4.162 -5.730 461 2HD2 LEU 93 2HD2 LEU 93 -3.799 5.444 -6.824 462 3HD2 LEU 93 3HD2 LEU 93 -2.165 4.770 -6.980 463 H VAL 94 H VAL 94 -1.418 2.142 -3.785 464 HA VAL 94 HA VAL 94 1.346 1.786 -2.757 465 HB VAL 94 HB VAL 94 -0.941 -0.177 -3.105 466 1HG1 VAL 94 1HG1 VAL 94 0.535 -1.675 -1.739 467 2HG1 VAL 94 2HG1 VAL 94 1.223 -1.297 -3.326 468 3HG1 VAL 94 3HG1 VAL 94 1.830 -0.464 -1.874 469 1HG2 VAL 94 1HG2 VAL 94 -1.010 -0.221 -0.622 470 2HG2 VAL 94 2HG2 VAL 94 0.195 1.086 -0.572 471 3HG2 VAL 94 3HG2 VAL 94 -1.419 1.377 -1.252 472 H THR 95 H THR 95 2.831 1.471 -4.366 473 HA THR 95 HA THR 95 1.931 0.668 -7.101 474 HB THR 95 HB THR 95 4.251 1.510 -7.674 475 HG1 THR 95 1HG THR 95 4.869 1.308 -5.353 476 1HG2 THR 95 1HG2 THR 95 3.682 3.904 -7.460 477 2HG2 THR 95 2HG2 THR 95 2.259 2.976 -7.966 478 3HG2 THR 95 3HG2 THR 95 2.412 3.520 -6.281 479 H TYR 96 H TYR 96 2.568 -1.319 -7.917 480 HA TYR 96 HA TYR 96 4.605 -2.913 -6.439 481 1HB TYR 96 2HB TYR 96 2.054 -3.400 -6.121 482 2HB TYR 96 3HB TYR 96 2.098 -4.008 -7.744 483 HD1 TYR 96 HD1 TYR 96 4.356 -5.691 -8.069 484 HD2 TYR 96 HD2 TYR 96 2.126 -5.018 -4.460 485 HE1 TYR 96 HE1 TYR 96 4.523 -8.108 -7.517 486 HE2 TYR 96 HE2 TYR 96 2.433 -7.395 -3.854 487 HH TYR 96 HH TYR 96 3.928 -9.254 -4.381 488 H ASP 97 H ASP 97 6.361 -2.971 -7.880 489 HA ASP 97 HA ASP 97 5.876 -2.812 -10.768 490 1HB ASP 97 2HB ASP 97 8.320 -2.420 -10.806 491 2HB ASP 97 3HB ASP 97 7.441 -1.255 -9.809 492 H ASP 98 H ASP 98 4.869 -5.160 -9.976 493 HA ASP 98 HA ASP 98 6.140 -6.912 -11.689 494 1HB ASP 98 2HB ASP 98 7.569 -7.226 -9.440 495 2HB ASP 98 3HB ASP 98 6.189 -8.202 -8.952 496 H LEU 99 H LEU 99 4.831 -9.186 -11.411 497 HA LEU 99 HA LEU 99 2.050 -8.312 -11.573 498 1HB LEU 99 2HB LEU 99 3.255 -11.097 -11.808 499 2HB LEU 99 3HB LEU 99 1.537 -10.721 -11.925 500 HG LEU 99 HG LEU 99 2.294 -8.960 -13.745 501 1HD1 LEU 99 1HD1 LEU 99 4.530 -11.038 -13.870 502 2HD1 LEU 99 2HD1 LEU 99 4.166 -9.848 -15.133 503 3HD1 LEU 99 3HD1 LEU 99 4.735 -9.303 -13.553 504 1HD2 LEU 99 1HD2 LEU 99 2.122 -11.955 -14.249 505 2HD2 LEU 99 2HD2 LEU 99 0.761 -10.816 -14.140 506 3HD2 LEU 99 3HD2 LEU 99 1.915 -10.683 -15.474 507 H LEU 100 H LEU 100 0.549 -8.260 -10.064 508 HA LEU 100 HA LEU 100 1.027 -9.121 -7.356 509 1HB LEU 100 2HB LEU 100 -1.288 -7.926 -8.921 510 2HB LEU 100 3HB LEU 100 -1.554 -8.525 -7.290 511 HG LEU 100 HG LEU 100 0.749 -6.632 -7.774 512 1HD1 LEU 100 1HD1 LEU 100 -0.461 -4.689 -7.699 513 2HD1 LEU 100 2HD1 LEU 100 -1.552 -5.684 -8.697 514 3HD1 LEU 100 3HD1 LEU 100 -1.890 -5.410 -6.981 515 1HD2 LEU 100 1HD2 LEU 100 0.509 -7.704 -5.587 516 2HD2 LEU 100 2HD2 LEU 100 0.138 -5.969 -5.433 517 3HD2 LEU 100 3HD2 LEU 100 -1.158 -7.149 -5.433 518 HA PRO 101 HA PRO 101 -0.762 -13.256 -7.704 519 1HB PRO 101 2HB PRO 101 -1.678 -13.700 -5.176 520 2HB PRO 101 3HB PRO 101 0.070 -13.542 -5.523 521 1HG PRO 101 2HG PRO 101 -1.814 -11.361 -4.563 522 2HG PRO 101 3HG PRO 101 -0.267 -11.828 -3.820 523 1HD PRO 101 2HD PRO 101 -0.446 -9.781 -5.579 524 2HD PRO 101 3HD PRO 101 0.975 -10.868 -5.633 525 H ASP 102 H ASP 102 -2.832 -14.131 -8.189 526 HA ASP 102 HA ASP 102 -4.886 -13.936 -9.138 527 1HB ASP 102 2HB ASP 102 -5.481 -12.946 -6.319 528 2HB ASP 102 3HB ASP 102 -6.691 -13.472 -7.498 529 H LEU 103 H LEU 103 -3.394 -11.838 -9.969 530 HA LEU 103 HA LEU 103 -3.217 -9.768 -10.650 531 1HB LEU 103 2HB LEU 103 -4.863 -8.926 -12.046 532 2HB LEU 103 3HB LEU 103 -5.039 -10.668 -12.145 533 HG LEU 103 HG LEU 103 -6.807 -9.532 -10.051 534 1HD1 LEU 103 1HD1 LEU 103 -7.156 -8.440 -12.844 535 2HD1 LEU 103 2HD1 LEU 103 -8.286 -8.269 -11.474 536 3HD1 LEU 103 3HD1 LEU 103 -6.686 -7.517 -11.394 537 1HD2 LEU 103 1HD2 LEU 103 -7.442 -10.961 -12.662 538 2HD2 LEU 103 2HD2 LEU 103 -7.081 -11.771 -11.121 539 3HD2 LEU 103 3HD2 LEU 103 -8.521 -10.747 -11.266 540 H PHE 104 H PHE 104 -3.962 -10.051 -7.733 541 HA PHE 104 HA PHE 104 -4.502 -8.877 -5.939 542 1HB PHE 104 2HB PHE 104 -3.037 -7.197 -6.497 543 2HB PHE 104 3HB PHE 104 -4.065 -6.493 -7.723 544 HD1 PHE 104 1HD PHE 104 -3.281 -6.606 -4.132 545 HD2 PHE 104 2HD PHE 104 -5.991 -5.156 -7.155 546 HE1 PHE 104 1HE PHE 104 -3.921 -4.724 -2.673 547 HE2 PHE 104 2HE PHE 104 -6.601 -3.249 -5.694 548 HZ PHE 104 HZ PHE 104 -5.549 -3.037 -3.443 549 H ARG 105 H ARG 105 -6.397 -9.668 -5.501 550 HA ARG 105 HA ARG 105 -8.849 -9.111 -6.951 551 1HB ARG 105 2HB ARG 105 -8.165 -10.420 -4.291 552 2HB ARG 105 3HB ARG 105 -9.829 -10.289 -4.882 553 1HG ARG 105 2HG ARG 105 -9.464 -11.710 -6.701 554 2HG ARG 105 3HG ARG 105 -7.698 -11.562 -6.617 555 1HD ARG 105 2HD ARG 105 -7.486 -12.922 -4.749 556 2HD ARG 105 3HD ARG 105 -9.167 -12.656 -4.222 557 HE ARG 105 HE ARG 105 -9.152 -14.011 -6.734 558 1HH1 ARG 105 2HH2 ARG 105 -7.952 -14.667 -3.552 559 2HH1 ARG 105 1HH2 ARG 105 -8.643 -16.245 -3.363 560 1HH2 ARG 105 1HH1 ARG 105 -10.010 -16.181 -6.661 561 2HH2 ARG 105 2HH1 ARG 105 -9.755 -17.169 -5.256 562 H GLU 106 H GLU 106 -9.956 -7.229 -6.770 563 HA GLU 106 HA GLU 106 -9.373 -5.407 -4.633 564 1HB GLU 106 2HB GLU 106 -11.472 -5.084 -6.803 565 2HB GLU 106 3HB GLU 106 -10.568 -3.846 -5.907 566 1HG GLU 106 2HG GLU 106 -9.446 -3.762 -7.871 567 2HG GLU 106 3HG GLU 106 -8.454 -4.976 -7.054 568 H GLY 107 H GLY 107 -11.168 -4.215 -3.478 569 1HA GLY 107 1HA GLY 107 -13.133 -4.061 -2.313 570 2HA GLY 107 2HA GLY 107 -13.777 -5.380 -3.286 571 H GLN 108 H GLN 108 -10.830 -5.860 -1.324 572 HA GLN 108 HA GLN 108 -12.301 -7.085 0.890 573 1HB GLN 108 2HB GLN 108 -10.853 -9.158 0.653 574 2HB GLN 108 3HB GLN 108 -12.126 -8.962 -0.549 575 1HG GLN 108 2HG GLN 108 -10.478 -8.136 -2.212 576 2HG GLN 108 3HG GLN 108 -9.189 -8.285 -1.008 577 1HE2 GLN 108 1HE2 GLN 108 -11.950 -10.418 -2.172 578 2HE2 GLN 108 2HE2 GLN 108 -10.892 -11.769 -2.491 579 H GLY 109 H GLY 109 -10.571 -7.799 2.553 580 1HA GLY 109 1HA GLY 109 -8.675 -5.544 2.838 581 2HA GLY 109 2HA GLY 109 -9.070 -6.727 4.059 582 H ILE 110 H ILE 110 -6.556 -5.691 2.424 583 HA ILE 110 HA ILE 110 -5.230 -8.303 2.501 584 HB ILE 110 HB ILE 110 -4.089 -8.109 0.433 585 1HG1 ILE 110 2HG1 ILE 110 -5.018 -6.093 -1.129 586 2HG1 ILE 110 3HG1 ILE 110 -5.000 -5.267 0.430 587 1HG2 ILE 110 1HG2 ILE 110 -5.809 -8.316 -1.234 588 2HG2 ILE 110 2HG2 ILE 110 -6.431 -9.007 0.268 589 3HG2 ILE 110 3HG2 ILE 110 -6.965 -7.398 -0.255 590 1HD1 ILE 110 1HD1 ILE 110 -2.860 -4.940 -0.633 591 2HD1 ILE 110 2HD1 ILE 110 -2.559 -6.130 0.643 592 3HD1 ILE 110 3HD1 ILE 110 -2.727 -6.665 -1.044 593 H VAL 111 H VAL 111 -2.953 -8.039 2.987 594 HA VAL 111 HA VAL 111 -2.288 -5.297 4.011 595 HB VAL 111 HB VAL 111 -1.136 -6.238 5.819 596 1HG1 VAL 111 1HG1 VAL 111 -3.619 -5.835 6.021 597 2HG1 VAL 111 2HG1 VAL 111 -3.881 -7.560 5.729 598 3HG1 VAL 111 3HG1 VAL 111 -2.982 -7.032 7.161 599 1HG2 VAL 111 1HG2 VAL 111 -1.244 -8.642 6.422 600 2HG2 VAL 111 2HG2 VAL 111 -2.071 -8.996 4.900 601 3HG2 VAL 111 3HG2 VAL 111 -0.390 -8.421 4.890 602 H ALA 112 H ALA 112 -0.556 -4.395 3.137 603 HA ALA 112 HA ALA 112 1.057 -6.017 1.213 604 1HB ALA 112 1HB ALA 112 0.340 -3.082 1.025 605 2HB ALA 112 2HB ALA 112 1.099 -4.094 -0.204 606 3HB ALA 112 3HB ALA 112 -0.595 -4.363 0.249 607 H GLN 113 H GLN 113 3.249 -5.937 1.428 608 HA GLN 113 HA GLN 113 4.455 -3.967 3.322 609 1HB GLN 113 2HB GLN 113 4.393 -5.973 4.506 610 2HB GLN 113 3HB GLN 113 4.691 -6.963 3.111 611 1HG GLN 113 2HG GLN 113 7.066 -6.130 3.009 612 2HG GLN 113 3HG GLN 113 6.742 -5.125 4.430 613 1HE2 GLN 113 1HE2 GLN 113 6.579 -8.570 3.268 614 2HE2 GLN 113 2HE2 GLN 113 7.100 -9.250 4.779 615 H GLY 114 H GLY 114 6.352 -3.079 2.847 616 1HA GLY 114 1HA GLY 114 8.346 -4.052 1.274 617 2HA GLY 114 2HA GLY 114 7.450 -3.055 0.139 618 H VAL 115 H VAL 115 8.164 -0.904 0.134 619 HA VAL 115 HA VAL 115 9.206 0.280 2.627 620 HB VAL 115 HB VAL 115 11.199 -0.641 1.794 621 1HG1 VAL 115 1HG1 VAL 115 10.486 0.455 -0.967 622 2HG1 VAL 115 2HG1 VAL 115 12.032 -0.300 -0.541 623 3HG1 VAL 115 3HG1 VAL 115 10.551 -1.261 -0.511 624 1HG2 VAL 115 1HG2 VAL 115 11.389 1.747 2.451 625 2HG2 VAL 115 2HG2 VAL 115 12.643 1.161 1.352 626 3HG2 VAL 115 3HG2 VAL 115 11.338 2.166 0.726 627 H LEU 116 H LEU 116 9.207 2.484 2.674 628 HA LEU 116 HA LEU 116 7.166 3.821 1.176 629 1HB LEU 116 2HB LEU 116 9.543 4.713 2.787 630 2HB LEU 116 3HB LEU 116 8.657 5.919 1.857 631 HG LEU 116 HG LEU 116 7.996 5.837 4.227 632 1HD1 LEU 116 1HD1 LEU 116 5.793 5.018 2.309 633 2HD1 LEU 116 2HD1 LEU 116 5.581 5.875 3.836 634 3HD1 LEU 116 3HD1 LEU 116 6.452 6.652 2.490 635 1HD2 LEU 116 1HD2 LEU 116 8.215 3.395 4.628 636 2HD2 LEU 116 2HD2 LEU 116 6.641 4.038 5.118 637 3HD2 LEU 116 3HD2 LEU 116 6.777 3.115 3.610 638 H GLY 117 H GLY 117 7.119 4.868 -0.757 639 1HA GLY 117 1HA GLY 117 9.422 4.582 -2.595 640 2HA GLY 117 2HA GLY 117 7.777 5.131 -2.956 641 H GLU 118 H GLU 118 8.122 7.157 -3.788 642 HA GLU 118 HA GLU 118 10.074 8.995 -2.724 643 1HB GLU 118 2HB GLU 118 9.204 8.765 -5.138 644 2HB GLU 118 3HB GLU 118 7.774 9.649 -4.596 645 1HG GLU 118 2HG GLU 118 9.296 11.509 -3.829 646 2HG GLU 118 3HG GLU 118 10.675 10.592 -4.455 647 H ASP 119 H ASP 119 9.339 8.797 -0.541 648 HA ASP 119 HA ASP 119 7.997 9.164 1.278 649 1HB ASP 119 2HB ASP 119 9.967 10.784 1.032 650 2HB ASP 119 3HB ASP 119 8.795 12.011 0.554 651 H GLY 120 H GLY 120 5.985 8.574 0.001 652 1HA GLY 120 1HA GLY 120 3.732 10.302 0.318 653 2HA GLY 120 2HA GLY 120 4.481 10.631 -1.249 654 H LYS 121 H LYS 121 5.312 8.272 -2.197 655 HA LYS 121 HA LYS 121 2.820 6.625 -2.468 656 1HB LYS 121 2HB LYS 121 4.888 7.472 -4.361 657 2HB LYS 121 3HB LYS 121 4.927 5.741 -4.204 658 1HG LYS 121 2HG LYS 121 3.418 6.296 -5.999 659 2HG LYS 121 3HG LYS 121 2.546 5.546 -4.669 660 1HD LYS 121 2HD LYS 121 1.193 7.260 -5.548 661 2HD LYS 121 3HD LYS 121 1.679 7.800 -3.955 662 1HE LYS 121 2HE LYS 121 2.867 8.726 -6.632 663 2HE LYS 121 3HE LYS 121 1.631 9.570 -5.696 664 1HZ LYS 121 1HZ LYS 121 3.532 10.626 -5.076 665 2HZ LYS 121 2HZ LYS 121 3.358 9.544 -3.849 666 3HZ LYS 121 3HZ LYS 121 4.457 9.280 -5.043 667 H LEU 122 H LEU 122 2.978 4.301 -2.258 668 HA LEU 122 HA LEU 122 5.176 3.413 -0.420 669 1HB LEU 122 2HB LEU 122 2.227 2.756 -0.641 670 2HB LEU 122 3HB LEU 122 3.346 1.604 0.075 671 HG LEU 122 HG LEU 122 2.080 3.085 1.673 672 1HD1 LEU 122 1HD1 LEU 122 5.104 2.890 1.775 673 2HD1 LEU 122 2HD1 LEU 122 4.100 3.465 3.116 674 3HD1 LEU 122 3HD1 LEU 122 3.898 1.816 2.496 675 1HD2 LEU 122 1HD2 LEU 122 2.798 5.325 2.131 676 2HD2 LEU 122 2HD2 LEU 122 4.072 5.245 0.914 677 3HD2 LEU 122 3HD2 LEU 122 2.372 5.231 0.415 678 H ALA 123 H ALA 123 6.551 1.880 -1.266 679 HA ALA 123 HA ALA 123 5.734 0.502 -3.781 680 1HB ALA 123 1HB ALA 123 8.113 0.000 -4.003 681 2HB ALA 123 2HB ALA 123 7.819 1.749 -3.927 682 3HB ALA 123 3HB ALA 123 8.464 0.894 -2.509 683 H ALA 124 H ALA 124 4.450 -1.165 -3.008 684 HA ALA 124 HA ALA 124 5.581 -2.884 -0.833 685 1HB ALA 124 1HB ALA 124 2.687 -2.673 -1.620 686 2HB ALA 124 2HB ALA 124 3.395 -3.583 -0.278 687 3HB ALA 124 3HB ALA 124 3.423 -1.810 -0.239 688 H THR 125 H THR 125 5.955 -4.965 -1.321 689 HA THR 125 HA THR 125 5.003 -6.037 -3.937 690 HB THR 125 HB THR 125 7.297 -5.386 -4.187 691 HG1 THR 125 1HG THR 125 6.378 -7.236 -5.259 692 1HG2 THR 125 1HG2 THR 125 9.095 -6.611 -3.078 693 2HG2 THR 125 2HG2 THR 125 8.125 -5.758 -1.863 694 3HG2 THR 125 3HG2 THR 125 7.933 -7.514 -2.093 695 H GLU 126 H GLU 126 5.532 -6.668 -0.495 696 HA GLU 126 HA GLU 126 4.774 -9.529 -0.746 697 1HB GLU 126 2HB GLU 126 5.708 -7.618 1.384 698 2HB GLU 126 3HB GLU 126 4.985 -9.177 1.832 699 1HG GLU 126 2HG GLU 126 7.168 -9.263 -0.228 700 2HG GLU 126 3HG GLU 126 7.658 -8.767 1.394 701 H VAL 127 H VAL 127 2.578 -9.234 -1.587 702 HA VAL 127 HA VAL 127 0.688 -7.907 0.313 703 HB VAL 127 HB VAL 127 -1.003 -8.045 -1.360 704 1HG1 VAL 127 1HG1 VAL 127 -0.034 -6.290 -2.908 705 2HG1 VAL 127 2HG1 VAL 127 0.095 -5.993 -1.177 706 3HG1 VAL 127 3HG1 VAL 127 1.521 -6.519 -2.071 707 1HG2 VAL 127 1HG2 VAL 127 -0.390 -9.908 -2.692 708 2HG2 VAL 127 2HG2 VAL 127 -0.507 -8.480 -3.690 709 3HG2 VAL 127 3HG2 VAL 127 1.101 -9.123 -3.258 710 H LEU 128 H LEU 128 -0.454 -9.051 1.660 711 HA LEU 128 HA LEU 128 -0.852 -11.975 1.161 712 1HB LEU 128 2HB LEU 128 -0.721 -10.638 3.875 713 2HB LEU 128 3HB LEU 128 -0.766 -12.345 3.477 714 HG LEU 128 HG LEU 128 1.372 -12.016 4.193 715 1HD1 LEU 128 1HD1 LEU 128 1.327 -13.089 1.874 716 2HD1 LEU 128 2HD1 LEU 128 1.992 -11.545 1.279 717 3HD1 LEU 128 3HD1 LEU 128 2.879 -12.469 2.480 718 1HD2 LEU 128 1HD2 LEU 128 2.911 -10.200 3.559 719 2HD2 LEU 128 2HD2 LEU 128 1.618 -9.405 2.659 720 3HD2 LEU 128 3HD2 LEU 128 1.474 -9.627 4.412 721 H ALA 129 H ALA 129 -2.951 -12.230 0.553 722 HA ALA 129 HA ALA 129 -5.076 -10.408 1.485 723 1HB ALA 129 1HB ALA 129 -5.163 -11.220 -0.820 724 2HB ALA 129 2HB ALA 129 -5.189 -12.904 -0.250 725 3HB ALA 129 3HB ALA 129 -6.543 -11.815 0.121 726 H LYS 130 H LYS 130 -5.434 -10.674 3.646 727 HA LYS 130 HA LYS 130 -6.344 -13.325 4.590 728 1HB LYS 130 2HB LYS 130 -4.991 -13.138 6.631 729 2HB LYS 130 3HB LYS 130 -4.053 -13.480 5.181 730 1HG LYS 130 2HG LYS 130 -3.201 -11.268 5.014 731 2HG LYS 130 3HG LYS 130 -4.283 -10.628 6.250 732 1HD LYS 130 2HD LYS 130 -2.208 -12.789 6.797 733 2HD LYS 130 3HD LYS 130 -1.880 -11.053 6.959 734 1HE LYS 130 2HE LYS 130 -3.670 -10.808 8.639 735 2HE LYS 130 3HE LYS 130 -4.093 -12.516 8.500 736 1HZ LYS 130 1HZ LYS 130 -1.517 -11.496 9.467 737 2HZ LYS 130 2HZ LYS 130 -2.727 -12.129 10.382 738 3HZ LYS 130 3HZ LYS 130 -1.926 -13.087 9.314 739 H HIS 131 H HID 131 -8.250 -11.912 4.092 740 HA HIS 131 HA HID 131 -9.301 -10.950 6.580 741 1HB HIS 131 2HB HID 131 -8.146 -8.966 5.069 742 2HB HIS 131 3HB HID 131 -9.731 -9.021 4.298 743 HD1 HIS 131 1HD HID 131 -11.216 -7.187 5.457 744 HD2 HIS 131 2HD HID 131 -8.306 -8.913 7.965 745 HE1 HIS 131 1HE HID 131 -11.299 -5.917 7.674 746 H ASP 132 H ASP 132 -11.716 -10.009 5.557 747 HA ASP 132 HA ASP 132 -12.691 -12.083 3.685 748 1HB ASP 132 2HB ASP 132 -13.196 -12.749 6.052 749 2HB ASP 132 3HB ASP 132 -14.032 -11.205 6.291 Start of MODEL 15 1 H SER 32 H SER 32 14.042 -6.466 14.619 2 HA SER 32 HA SER 32 11.774 -6.434 14.783 3 1HB SER 32 2HB SER 32 12.496 -7.094 17.105 4 2HB SER 32 3HB SER 32 12.331 -5.396 17.595 5 HG SER 32 HG SER 32 10.151 -5.525 16.888 6 H ASN 33 H ASN 33 12.792 -4.074 13.550 7 HA ASN 33 HA ASN 33 10.680 -2.116 14.073 8 1HB ASN 33 2HB ASN 33 13.677 -1.667 14.403 9 2HB ASN 33 3HB ASN 33 12.697 -0.377 13.707 10 1HD2 ASN 33 1HD2 ASN 33 14.137 -0.012 16.101 11 2HD2 ASN 33 2HD2 ASN 33 12.941 0.251 17.357 12 H LEU 34 H LEU 34 10.673 -0.544 12.247 13 HA LEU 34 HA LEU 34 10.385 -0.187 10.023 14 1HB LEU 34 2HB LEU 34 13.026 -1.663 9.664 15 2HB LEU 34 3HB LEU 34 12.292 -0.512 8.552 16 HG LEU 34 HG LEU 34 13.343 0.181 11.335 17 1HD1 LEU 34 1HD1 LEU 34 15.186 1.257 10.097 18 2HD1 LEU 34 2HD1 LEU 34 15.133 -0.486 9.783 19 3HD1 LEU 34 3HD1 LEU 34 14.522 0.653 8.565 20 1HD2 LEU 34 1HD2 LEU 34 13.137 2.529 10.496 21 2HD2 LEU 34 2HD2 LEU 34 12.327 1.917 9.041 22 3HD2 LEU 34 3HD2 LEU 34 11.561 1.738 10.635 23 H ASN 35 H ASN 35 9.084 -2.572 11.075 24 HA ASN 35 HA ASN 35 8.489 -3.740 8.470 25 1HB ASN 35 2HB ASN 35 9.034 -6.038 9.019 26 2HB ASN 35 3HB ASN 35 10.496 -5.069 9.138 27 1HD2 ASN 35 1HD2 ASN 35 10.396 -7.568 10.349 28 2HD2 ASN 35 2HD2 ASN 35 10.345 -7.355 12.091 29 H LEU 36 H LEU 36 6.652 -2.324 9.835 30 HA LEU 36 HA LEU 36 5.097 -4.265 11.491 31 1HB LEU 36 2HB LEU 36 4.105 -2.295 12.558 32 2HB LEU 36 3HB LEU 36 5.796 -2.586 12.908 33 HG LEU 36 HG LEU 36 5.025 -0.215 12.678 34 1HD1 LEU 36 1HD1 LEU 36 7.057 0.621 11.791 35 2HD1 LEU 36 2HD1 LEU 36 7.423 -0.886 12.645 36 3HD1 LEU 36 3HD1 LEU 36 7.382 -0.845 10.868 37 1HD2 LEU 36 1HD2 LEU 36 4.805 0.867 10.569 38 2HD2 LEU 36 2HD2 LEU 36 5.214 -0.607 9.684 39 3HD2 LEU 36 3HD2 LEU 36 3.676 -0.497 10.570 40 H PHE 37 H PHE 37 2.821 -4.244 11.456 41 HA PHE 37 HA PHE 37 1.607 -3.569 8.838 42 1HB PHE 37 2HB PHE 37 0.621 -5.153 11.227 43 2HB PHE 37 3HB PHE 37 -0.406 -4.667 9.892 44 HD1 PHE 37 1HD PHE 37 1.653 -7.333 11.038 45 HD2 PHE 37 2HD PHE 37 0.372 -5.278 7.467 46 HE1 PHE 37 1HE PHE 37 2.241 -9.319 9.675 47 HE2 PHE 37 2HE PHE 37 1.244 -7.149 6.098 48 HZ PHE 37 HZ PHE 37 2.025 -9.236 7.188 49 H TYR 38 H TYR 38 0.662 -1.641 8.555 50 HA TYR 38 HA TYR 38 -0.983 -0.563 10.750 51 1HB TYR 38 2HB TYR 38 1.533 0.668 9.870 52 2HB TYR 38 3HB TYR 38 0.182 1.722 9.517 53 HD1 TYR 38 HD1 TYR 38 -1.451 2.372 11.364 54 HD2 TYR 38 HD2 TYR 38 2.302 0.398 12.163 55 HE1 TYR 38 HE1 TYR 38 -1.594 3.053 13.722 56 HE2 TYR 38 HE2 TYR 38 2.200 1.170 14.511 57 HH TYR 38 HH TYR 38 -0.549 3.087 15.757 58 H THR 39 H THR 39 -2.420 1.283 9.870 59 HA THR 39 HA THR 39 -3.559 0.313 7.381 60 HB THR 39 HB THR 39 -5.388 1.952 8.194 61 HG1 THR 39 1HG THR 39 -5.165 2.604 10.296 62 1HG2 THR 39 1HG2 THR 39 -6.200 0.380 9.911 63 2HG2 THR 39 2HG2 THR 39 -5.637 -0.451 8.455 64 3HG2 THR 39 3HG2 THR 39 -4.620 -0.437 9.915 65 HA PRO 40 HA PRO 40 -2.033 3.606 4.849 66 1HB PRO 40 2HB PRO 40 -4.141 4.054 3.145 67 2HB PRO 40 3HB PRO 40 -3.090 2.615 3.063 68 1HG PRO 40 2HG PRO 40 -5.754 2.855 4.467 69 2HG PRO 40 3HG PRO 40 -5.227 1.595 3.319 70 1HD PRO 40 2HD PRO 40 -5.140 1.176 5.951 71 2HD PRO 40 3HD PRO 40 -3.775 0.626 4.939 72 H SER 41 H SER 41 -5.234 3.946 6.388 73 HA SER 41 HA SER 41 -5.744 6.685 6.155 74 1HB SER 41 2HB SER 41 -6.821 6.157 8.474 75 2HB SER 41 3HB SER 41 -7.386 5.296 7.018 76 HG SER 41 HG SER 41 -6.934 3.790 8.786 77 H GLU 42 H GLU 42 -3.609 4.882 8.378 78 HA GLU 42 HA GLU 42 -3.044 7.047 10.139 79 1HB GLU 42 2HB GLU 42 -2.544 4.543 10.430 80 2HB GLU 42 3HB GLU 42 -1.160 4.774 9.359 81 1HG GLU 42 2HG GLU 42 -0.306 4.916 11.559 82 2HG GLU 42 3HG GLU 42 -0.366 6.587 10.980 83 H ILE 43 H ILE 43 -1.312 5.789 7.261 84 HA ILE 43 HA ILE 43 0.709 7.799 7.530 85 HB ILE 43 HB ILE 43 1.716 6.730 5.480 86 1HG1 ILE 43 2HG1 ILE 43 -0.341 4.558 6.029 87 2HG1 ILE 43 3HG1 ILE 43 -0.474 5.708 4.682 88 1HG2 ILE 43 1HG2 ILE 43 2.542 4.867 6.831 89 2HG2 ILE 43 2HG2 ILE 43 2.388 6.310 7.817 90 3HG2 ILE 43 3HG2 ILE 43 1.167 5.030 7.942 91 1HD1 ILE 43 1HD1 ILE 43 1.772 3.694 5.135 92 2HD1 ILE 43 2HD1 ILE 43 0.515 3.621 3.909 93 3HD1 ILE 43 3HD1 ILE 43 1.738 4.909 3.835 94 H VAL 44 H VAL 44 -2.006 8.813 6.839 95 HA VAL 44 HA VAL 44 -1.366 10.304 4.348 96 HB VAL 44 HB VAL 44 -3.444 8.819 4.564 97 1HG1 VAL 44 1HG1 VAL 44 -5.351 9.625 5.618 98 2HG1 VAL 44 2HG1 VAL 44 -4.110 10.004 6.817 99 3HG1 VAL 44 3HG1 VAL 44 -4.727 11.277 5.744 100 1HG2 VAL 44 1HG2 VAL 44 -3.066 10.308 2.676 101 2HG2 VAL 44 2HG2 VAL 44 -4.763 10.394 3.182 102 3HG2 VAL 44 3HG2 VAL 44 -3.645 11.704 3.608 103 H ASN 45 H ASN 45 -2.107 10.707 7.814 104 HA ASN 45 HA ASN 45 -2.161 13.704 7.446 105 1HB ASN 45 2HB ASN 45 -3.483 11.956 9.533 106 2HB ASN 45 3HB ASN 45 -3.485 13.723 9.520 107 1HD2 ASN 45 1HD2 ASN 45 -5.480 11.212 8.899 108 2HD2 ASN 45 2HD2 ASN 45 -6.439 11.871 7.586 109 H GLY 46 H GLY 46 0.101 14.067 7.722 110 1HA GLY 46 1HA GLY 46 1.897 14.658 9.077 111 2HA GLY 46 2HA GLY 46 0.935 14.259 10.507 112 H LYS 47 H LYS 47 2.042 12.361 7.697 113 HA LYS 47 HA LYS 47 3.933 10.732 9.050 114 1HB LYS 47 2HB LYS 47 1.160 9.654 8.434 115 2HB LYS 47 3HB LYS 47 2.585 8.593 8.414 116 1HG LYS 47 2HG LYS 47 2.181 8.154 10.509 117 2HG LYS 47 3HG LYS 47 2.924 9.723 10.845 118 1HD LYS 47 2HD LYS 47 0.527 10.685 10.588 119 2HD LYS 47 3HD LYS 47 -0.058 9.043 10.634 120 1HE LYS 47 2HE LYS 47 1.707 10.250 12.814 121 2HE LYS 47 3HE LYS 47 -0.059 10.360 12.822 122 1HZ LYS 47 1HZ LYS 47 0.757 8.466 14.101 123 2HZ LYS 47 2HZ LYS 47 -0.264 8.060 12.911 124 3HZ LYS 47 3HZ LYS 47 1.333 7.770 12.716 125 H THR 48 H THR 48 3.786 8.696 6.868 126 HA THR 48 HA THR 48 5.566 9.647 5.255 127 HB THR 48 HB THR 48 3.435 7.784 4.198 128 HG1 THR 48 1HG THR 48 4.549 6.229 5.536 129 1HG2 THR 48 1HG2 THR 48 5.398 6.596 3.342 130 2HG2 THR 48 2HG2 THR 48 5.438 8.268 2.777 131 3HG2 THR 48 3HG2 THR 48 6.496 7.759 4.112 132 H ASP 49 H ASP 49 2.036 9.974 4.355 133 HA ASP 49 HA ASP 49 2.401 11.090 1.828 134 1HB ASP 49 2HB ASP 49 0.250 10.472 2.785 135 2HB ASP 49 3HB ASP 49 0.341 11.857 3.907 136 H THR 50 H THR 50 2.460 12.796 4.971 137 HA THR 50 HA THR 50 3.200 15.350 3.737 138 HB THR 50 HB THR 50 3.368 14.646 6.677 139 HG1 THR 50 1HG THR 50 1.080 15.031 5.102 140 1HG2 THR 50 1HG2 THR 50 4.206 16.860 6.014 141 2HG2 THR 50 2HG2 THR 50 2.691 17.206 5.159 142 3HG2 THR 50 3HG2 THR 50 2.694 17.032 6.926 143 H GLY 51 H GLY 51 4.750 12.578 5.262 144 1HA GLY 51 1HA GLY 51 6.939 11.906 5.362 145 2HA GLY 51 2HA GLY 51 7.374 13.252 4.299 146 H VAL 52 H VAL 52 5.899 13.133 7.575 147 HA VAL 52 HA VAL 52 7.922 15.094 8.542 148 HB VAL 52 HB VAL 52 6.437 14.943 10.664 149 1HG1 VAL 52 1HG1 VAL 52 4.908 16.634 9.698 150 2HG1 VAL 52 2HG1 VAL 52 6.600 16.911 9.251 151 3HG1 VAL 52 3HG1 VAL 52 5.477 16.202 8.072 152 1HG2 VAL 52 1HG2 VAL 52 4.150 14.373 10.368 153 2HG2 VAL 52 2HG2 VAL 52 4.341 14.090 8.631 154 3HG2 VAL 52 3HG2 VAL 52 5.011 12.941 9.784 155 H LYS 53 H LYS 53 6.588 12.603 10.664 156 HA LYS 53 HA LYS 53 9.155 12.033 11.737 157 1HB LYS 53 2HB LYS 53 6.411 10.801 12.071 158 2HB LYS 53 3HB LYS 53 7.832 10.140 12.883 159 1HG LYS 53 2HG LYS 53 7.232 13.107 13.056 160 2HG LYS 53 3HG LYS 53 6.225 12.010 13.983 161 1HD LYS 53 2HD LYS 53 9.273 11.940 14.149 162 2HD LYS 53 3HD LYS 53 8.287 13.004 15.165 163 1HE LYS 53 2HE LYS 53 7.088 11.105 16.139 164 2HE LYS 53 3HE LYS 53 7.927 9.962 15.084 165 1HZ LYS 53 1HZ LYS 53 9.981 10.544 16.154 166 2HZ LYS 53 2HZ LYS 53 9.217 11.612 17.149 167 3HZ LYS 53 3HZ LYS 53 8.883 10.006 17.249 168 HA PRO 54 HA PRO 54 9.294 7.980 9.382 169 1HB PRO 54 2HB PRO 54 7.473 7.169 7.543 170 2HB PRO 54 3HB PRO 54 7.206 6.971 9.302 171 1HG PRO 54 2HG PRO 54 6.194 9.190 7.514 172 2HG PRO 54 3HG PRO 54 5.249 8.210 8.672 173 1HD PRO 54 2HD PRO 54 6.245 10.684 9.288 174 2HD PRO 54 3HD PRO 54 6.145 9.362 10.499 175 H GLU 55 H GLU 55 10.979 8.328 8.017 176 HA GLU 55 HA GLU 55 10.763 10.138 5.690 177 1HB GLU 55 2HB GLU 55 12.893 9.209 7.453 178 2HB GLU 55 3HB GLU 55 13.289 8.766 5.793 179 1HG GLU 55 2HG GLU 55 12.387 11.586 6.512 180 2HG GLU 55 3HG GLU 55 14.064 11.057 6.673 181 H ALA 56 H ALA 56 11.697 9.235 3.626 182 HA ALA 56 HA ALA 56 10.321 6.730 2.961 183 1HB ALA 56 1HB ALA 56 11.054 8.981 1.431 184 2HB ALA 56 2HB ALA 56 12.082 7.679 0.828 185 3HB ALA 56 3HB ALA 56 10.318 7.501 0.835 186 H GLY 57 H GLY 57 11.840 5.095 1.556 187 1HA GLY 57 1HA GLY 57 13.650 3.703 1.494 188 2HA GLY 57 2HA GLY 57 14.528 4.739 2.622 189 H GLN 58 H GLN 58 11.544 4.100 4.028 190 HA GLN 58 HA GLN 58 12.726 2.035 5.818 191 1HB GLN 58 2HB GLN 58 10.273 3.822 6.069 192 2HB GLN 58 3HB GLN 58 10.777 2.608 7.252 193 1HG GLN 58 2HG GLN 58 12.944 3.822 7.554 194 2HG GLN 58 3HG GLN 58 12.369 5.090 6.455 195 1HE2 GLN 58 1HE2 GLN 58 10.225 6.128 7.042 196 2HE2 GLN 58 2HE2 GLN 58 9.753 6.164 8.747 197 H ARG 59 H ARG 59 11.567 0.103 6.241 198 HA ARG 59 HA ARG 59 9.551 -0.669 4.195 199 1HB ARG 59 2HB ARG 59 11.089 -2.411 6.144 200 2HB ARG 59 3HB ARG 59 9.901 -2.923 4.937 201 1HG ARG 59 2HG ARG 59 11.475 -1.609 3.275 202 2HG ARG 59 3HG ARG 59 12.690 -1.763 4.545 203 1HD ARG 59 2HD ARG 59 12.592 -4.184 4.438 204 2HD ARG 59 3HD ARG 59 11.110 -4.120 3.446 205 HE ARG 59 HE ARG 59 13.244 -2.720 2.149 206 1HH1 ARG 59 2HH2 ARG 59 12.121 -5.982 2.831 207 2HH1 ARG 59 1HH2 ARG 59 12.625 -6.666 1.317 208 1HH2 ARG 59 1HH1 ARG 59 13.919 -3.568 0.103 209 2HH2 ARG 59 2HH1 ARG 59 13.702 -5.246 -0.266 210 H ILE 60 H ILE 60 7.473 -0.851 4.688 211 HA ILE 60 HA ILE 60 6.642 -1.462 7.400 212 HB ILE 60 HB ILE 60 4.871 0.231 7.490 213 1HG1 ILE 60 2HG1 ILE 60 6.282 1.752 5.305 214 2HG1 ILE 60 3HG1 ILE 60 4.889 0.713 4.958 215 1HG2 ILE 60 1HG2 ILE 60 6.195 2.106 8.284 216 2HG2 ILE 60 2HG2 ILE 60 7.068 0.621 8.662 217 3HG2 ILE 60 3HG2 ILE 60 7.578 1.629 7.294 218 1HD1 ILE 60 1HD1 ILE 60 4.115 2.982 5.195 219 2HD1 ILE 60 2HD1 ILE 60 3.505 2.018 6.551 220 3HD1 ILE 60 3HD1 ILE 60 4.862 3.144 6.791 221 H ARG 61 H ARG 61 4.238 -2.053 7.300 222 HA ARG 61 HA ARG 61 3.591 -3.157 4.622 223 1HB ARG 61 2HB ARG 61 2.589 -4.361 7.174 224 2HB ARG 61 3HB ARG 61 2.776 -5.124 5.633 225 1HG ARG 61 2HG ARG 61 5.309 -5.114 6.012 226 2HG ARG 61 3HG ARG 61 5.037 -4.321 7.546 227 1HD ARG 61 2HD ARG 61 3.510 -6.300 8.131 228 2HD ARG 61 3HD ARG 61 4.257 -7.121 6.753 229 HE ARG 61 HE ARG 61 5.903 -5.887 8.956 230 1HH1 ARG 61 2HH2 ARG 61 4.702 -8.885 7.534 231 2HH1 ARG 61 1HH2 ARG 61 5.703 -9.910 8.520 232 1HH2 ARG 61 1HH1 ARG 61 7.080 -7.113 10.277 233 2HH2 ARG 61 2HH1 ARG 61 7.152 -8.861 10.155 234 H VAL 62 H VAL 62 1.815 -2.160 3.823 235 HA VAL 62 HA VAL 62 0.045 -0.575 5.610 236 HB VAL 62 HB VAL 62 1.065 0.670 3.829 237 1HG1 VAL 62 1HG1 VAL 62 1.409 -1.146 2.123 238 2HG1 VAL 62 2HG1 VAL 62 -0.339 -1.105 1.791 239 3HG1 VAL 62 3HG1 VAL 62 0.666 0.319 1.495 240 1HG2 VAL 62 1HG2 VAL 62 -1.895 0.194 3.278 241 2HG2 VAL 62 2HG2 VAL 62 -1.219 1.234 4.554 242 3HG2 VAL 62 3HG2 VAL 62 -0.947 1.629 2.845 243 H GLY 63 H GLY 63 -1.922 -1.567 6.155 244 1HA GLY 63 1HA GLY 63 -3.170 -3.380 4.160 245 2HA GLY 63 2HA GLY 63 -2.666 -4.061 5.735 246 H GLY 64 H GLY 64 -5.384 -3.777 4.481 247 1HA GLY 64 1HA GLY 64 -6.915 -3.139 6.695 248 2HA GLY 64 2HA GLY 64 -6.713 -1.575 5.881 249 H MET 65 H MET 65 -7.883 -1.162 3.965 250 HA MET 65 HA MET 65 -9.134 -3.412 2.568 251 1HB MET 65 2HB MET 65 -11.368 -2.295 2.627 252 2HB MET 65 3HB MET 65 -10.820 -3.047 4.113 253 1HG MET 65 2HG MET 65 -9.965 -0.512 4.619 254 2HG MET 65 3HG MET 65 -11.262 -0.152 3.487 255 1HE MET 65 1HE MET 65 -10.785 -2.945 6.305 256 2HE MET 65 2HE MET 65 -10.118 -1.432 6.961 257 3HE MET 65 3HE MET 65 -11.597 -2.127 7.656 258 H VAL 66 H VAL 66 -9.188 -3.175 0.458 259 HA VAL 66 HA VAL 66 -7.795 -0.875 -0.629 260 HB VAL 66 HB VAL 66 -7.674 -3.098 -1.570 261 1HG1 VAL 66 1HG1 VAL 66 -10.591 -2.636 -2.229 262 2HG1 VAL 66 2HG1 VAL 66 -9.572 -3.658 -3.225 263 3HG1 VAL 66 3HG1 VAL 66 -9.792 -4.044 -1.503 264 1HG2 VAL 66 1HG2 VAL 66 -6.969 -1.225 -2.936 265 2HG2 VAL 66 2HG2 VAL 66 -7.726 -2.434 -3.963 266 3HG2 VAL 66 3HG2 VAL 66 -8.619 -0.981 -3.557 267 H THR 67 H THR 67 -8.698 0.754 -2.120 268 HA THR 67 HA THR 67 -11.275 1.758 -1.297 269 HB THR 67 HB THR 67 -8.999 2.709 -2.784 270 HG1 THR 67 1HG THR 67 -9.833 4.627 -2.191 271 1HG2 THR 67 1HG2 THR 67 -10.355 2.170 -4.825 272 2HG2 THR 67 2HG2 THR 67 -11.563 3.346 -4.259 273 3HG2 THR 67 3HG2 THR 67 -9.919 3.891 -4.605 274 H VAL 68 H VAL 68 -10.725 -0.825 -3.252 275 HA VAL 68 HA VAL 68 -11.855 -1.885 -4.865 276 HB VAL 68 HB VAL 68 -12.864 -2.406 -2.888 277 1HG1 VAL 68 1HG1 VAL 68 -15.042 -1.470 -2.097 278 2HG1 VAL 68 2HG1 VAL 68 -13.598 -0.467 -1.885 279 3HG1 VAL 68 3HG1 VAL 68 -14.753 -0.101 -3.201 280 1HG2 VAL 68 1HG2 VAL 68 -15.110 -2.061 -4.914 281 2HG2 VAL 68 2HG2 VAL 68 -13.793 -3.233 -5.101 282 3HG2 VAL 68 3HG2 VAL 68 -14.928 -3.373 -3.732 283 H GLY 69 H GLY 69 -11.163 -0.472 -6.277 284 1HA GLY 69 1HA GLY 69 -12.316 0.139 -8.516 285 2HA GLY 69 2HA GLY 69 -13.032 1.478 -7.592 286 H SER 70 H SER 70 -9.778 0.027 -7.548 287 HA SER 70 HA SER 70 -8.545 2.310 -8.897 288 1HB SER 70 2HB SER 70 -8.183 1.930 -5.912 289 2HB SER 70 3HB SER 70 -6.962 2.740 -6.910 290 HG SER 70 HG SER 70 -9.624 3.562 -7.164 291 H MET 71 H MET 71 -8.342 -1.089 -8.023 292 HA MET 71 HA MET 71 -5.537 -1.321 -8.397 293 1HB MET 71 2HB MET 71 -7.430 -2.985 -7.677 294 2HB MET 71 3HB MET 71 -7.519 -3.418 -9.370 295 1HG MET 71 2HG MET 71 -4.810 -3.413 -8.018 296 2HG MET 71 3HG MET 71 -6.010 -4.564 -7.456 297 1HE MET 71 1HE MET 71 -5.486 -3.527 -11.282 298 2HE MET 71 2HE MET 71 -3.942 -3.314 -10.399 299 3HE MET 71 3HE MET 71 -4.125 -4.613 -11.616 300 H VAL 72 H VAL 72 -4.491 -0.432 -10.143 301 HA VAL 72 HA VAL 72 -5.626 -0.967 -12.861 302 HB VAL 72 HB VAL 72 -4.613 1.143 -13.637 303 1HG1 VAL 72 1HG1 VAL 72 -7.027 0.966 -13.230 304 2HG1 VAL 72 2HG1 VAL 72 -6.799 1.472 -11.542 305 3HG1 VAL 72 3HG1 VAL 72 -6.435 2.594 -12.867 306 1HG2 VAL 72 1HG2 VAL 72 -4.372 1.852 -10.681 307 2HG2 VAL 72 2HG2 VAL 72 -3.035 1.623 -11.838 308 3HG2 VAL 72 3HG2 VAL 72 -4.167 2.964 -12.047 309 H ARG 73 H ARG 73 -4.245 -1.815 -14.285 310 HA ARG 73 HA ARG 73 -1.450 -2.315 -13.401 311 1HB ARG 73 2HB ARG 73 -1.527 -4.385 -14.724 312 2HB ARG 73 3HB ARG 73 -2.697 -4.433 -13.402 313 1HG ARG 73 2HG ARG 73 -4.542 -3.963 -14.883 314 2HG ARG 73 3HG ARG 73 -3.442 -3.732 -16.255 315 1HD ARG 73 2HD ARG 73 -2.661 -6.148 -15.918 316 2HD ARG 73 3HD ARG 73 -3.911 -6.300 -14.691 317 HE ARG 73 HE ARG 73 -5.519 -6.481 -16.295 318 1HH1 ARG 73 2HH2 ARG 73 -2.614 -5.129 -17.796 319 2HH1 ARG 73 1HH2 ARG 73 -3.197 -5.252 -19.423 320 1HH2 ARG 73 1HH1 ARG 73 -6.358 -6.593 -18.442 321 2HH2 ARG 73 2HH1 ARG 73 -5.403 -6.076 -19.791 322 H ASP 74 H ASP 74 0.142 -2.212 -15.010 323 HA ASP 74 HA ASP 74 -0.463 -0.416 -17.241 324 1HB ASP 74 2HB ASP 74 1.926 -1.505 -15.849 325 2HB ASP 74 3HB ASP 74 2.141 -1.254 -17.568 326 HA PRO 75 HA PRO 75 -0.571 -3.721 -20.331 327 1HB PRO 75 2HB PRO 75 0.281 -2.450 -22.580 328 2HB PRO 75 3HB PRO 75 -1.246 -1.964 -21.787 329 1HG PRO 75 2HG PRO 75 1.474 -0.654 -21.518 330 2HG PRO 75 3HG PRO 75 -0.100 0.134 -21.809 331 1HD PRO 75 2HD PRO 75 1.072 -0.121 -19.316 332 2HD PRO 75 3HD PRO 75 -0.701 -0.046 -19.548 333 H ASN 76 H ASN 76 2.371 -1.882 -19.731 334 HA ASN 76 HA ASN 76 4.392 -3.427 -20.729 335 1HB ASN 76 2HB ASN 76 4.420 -2.735 -17.780 336 2HB ASN 76 3HB ASN 76 5.763 -2.719 -18.928 337 1HD2 ASN 76 1HD2 ASN 76 4.776 -0.656 -17.010 338 2HD2 ASN 76 2HD2 ASN 76 3.949 0.599 -17.885 339 H SER 77 H SER 77 2.164 -4.191 -18.089 340 HA SER 77 HA SER 77 1.482 -6.072 -17.139 341 1HB SER 77 2HB SER 77 3.393 -7.662 -18.903 342 2HB SER 77 3HB SER 77 2.031 -8.265 -17.970 343 HG SER 77 HG SER 77 1.809 -6.316 -20.054 344 H LEU 78 H LEU 78 4.329 -4.675 -16.707 345 HA LEU 78 HA LEU 78 5.172 -6.351 -14.402 346 1HB LEU 78 2HB LEU 78 7.442 -4.920 -15.214 347 2HB LEU 78 3HB LEU 78 7.147 -6.628 -15.364 348 HG LEU 78 HG LEU 78 6.185 -4.780 -17.574 349 1HD1 LEU 78 1HD1 LEU 78 9.045 -5.649 -17.209 350 2HD1 LEU 78 2HD1 LEU 78 8.325 -4.937 -18.677 351 3HD1 LEU 78 3HD1 LEU 78 8.394 -3.989 -17.185 352 1HD2 LEU 78 1HD2 LEU 78 5.641 -7.244 -17.633 353 2HD2 LEU 78 2HD2 LEU 78 6.728 -6.773 -18.945 354 3HD2 LEU 78 3HD2 LEU 78 7.372 -7.606 -17.514 355 H HIS 79 H HID 79 3.169 -4.249 -14.494 356 HA HIS 79 HA HID 79 4.204 -2.623 -12.351 357 1HB HIS 79 2HB HID 79 3.962 -1.512 -15.103 358 2HB HIS 79 3HB HID 79 3.158 -0.576 -13.840 359 HD1 HIS 79 1HD HID 79 4.890 0.057 -11.678 360 HD2 HIS 79 2HD HID 79 6.518 -1.093 -15.386 361 HE1 HIS 79 1HE HID 79 7.307 0.885 -11.707 362 H VAL 80 H VAL 80 2.642 -2.295 -10.960 363 HA VAL 80 HA VAL 80 -0.203 -2.206 -11.710 364 HB VAL 80 HB VAL 80 -0.319 -3.917 -9.579 365 1HG1 VAL 80 1HG1 VAL 80 -0.241 -4.664 -12.508 366 2HG1 VAL 80 2HG1 VAL 80 -0.836 -5.709 -11.207 367 3HG1 VAL 80 3HG1 VAL 80 -1.637 -4.155 -11.513 368 1HG2 VAL 80 1HG2 VAL 80 2.193 -4.345 -9.652 369 2HG2 VAL 80 2HG2 VAL 80 1.195 -5.787 -9.853 370 3HG2 VAL 80 3HG2 VAL 80 1.969 -5.056 -11.258 371 H GLN 81 H GLN 81 -1.335 -0.738 -10.428 372 HA GLN 81 HA GLN 81 -0.210 -0.296 -7.702 373 1HB GLN 81 2HB GLN 81 -0.402 2.127 -7.913 374 2HB GLN 81 3HB GLN 81 0.781 1.467 -9.058 375 1HG GLN 81 2HG GLN 81 -0.854 1.590 -10.881 376 2HG GLN 81 3HG GLN 81 -2.098 2.143 -9.732 377 1HE2 GLN 81 1HE2 GLN 81 -2.445 4.067 -10.960 378 2HE2 GLN 81 2HE2 GLN 81 -1.228 5.325 -10.994 379 H PHE 82 H PHE 82 -1.667 0.701 -6.219 380 HA PHE 82 HA PHE 82 -4.532 0.583 -6.865 381 1HB PHE 82 2HB PHE 82 -4.950 -1.197 -5.174 382 2HB PHE 82 3HB PHE 82 -4.086 -1.758 -6.590 383 HD1 PHE 82 1HD PHE 82 -1.848 -2.708 -6.441 384 HD2 PHE 82 2HD PHE 82 -3.680 -0.861 -3.019 385 HE1 PHE 82 1HE PHE 82 -0.260 -3.894 -4.950 386 HE2 PHE 82 2HE PHE 82 -2.103 -2.075 -1.518 387 HZ PHE 82 HZ PHE 82 -0.611 -3.808 -2.476 388 H ALA 83 H ALA 83 -5.860 1.359 -5.085 389 HA ALA 83 HA ALA 83 -4.321 3.065 -3.182 390 1HB ALA 83 1HB ALA 83 -7.071 3.633 -4.329 391 2HB ALA 83 2HB ALA 83 -6.061 4.675 -3.309 392 3HB ALA 83 3HB ALA 83 -5.555 4.314 -4.965 393 H VAL 84 H VAL 84 -4.852 2.986 -1.047 394 HA VAL 84 HA VAL 84 -6.912 0.988 -0.230 395 HB VAL 84 HB VAL 84 -4.212 1.231 1.133 396 1HG1 VAL 84 1HG1 VAL 84 -6.198 0.007 2.271 397 2HG1 VAL 84 2HG1 VAL 84 -6.084 -1.173 0.964 398 3HG1 VAL 84 3HG1 VAL 84 -4.719 -0.935 2.061 399 1HG2 VAL 84 1HG2 VAL 84 -3.626 0.555 -1.127 400 2HG2 VAL 84 2HG2 VAL 84 -3.523 -0.848 -0.058 401 3HG2 VAL 84 3HG2 VAL 84 -4.932 -0.663 -1.127 402 H HIS 85 H HID 85 -7.969 1.437 1.721 403 HA HIS 85 HA HID 85 -7.234 3.902 3.138 404 1HB HIS 85 2HB HID 85 -9.272 5.002 2.933 405 2HB HIS 85 3HB HID 85 -8.825 4.584 1.290 406 HD1 HIS 85 1HD HID 85 -11.825 5.145 2.579 407 HD2 HIS 85 2HD HID 85 -10.087 1.589 1.175 408 HE1 HIS 85 1HE HID 85 -13.745 3.578 1.969 409 H ASP 86 H ASP 86 -9.023 4.108 4.963 410 HA ASP 86 HA ASP 86 -9.684 1.412 6.098 411 1HB ASP 86 2HB ASP 86 -7.596 2.765 6.887 412 2HB ASP 86 3HB ASP 86 -8.811 3.873 7.610 413 H SER 87 H SER 87 -10.762 4.418 4.963 414 HA SER 87 HA SER 87 -12.480 5.769 5.231 415 1HB SER 87 2HB SER 87 -13.584 3.245 5.238 416 2HB SER 87 3HB SER 87 -14.218 3.888 6.755 417 HG SER 87 HG SER 87 -14.398 5.077 4.162 418 H LEU 88 H LEU 88 -10.399 5.576 7.323 419 HA LEU 88 HA LEU 88 -11.871 7.077 9.443 420 1HB LEU 88 2HB LEU 88 -9.375 5.355 9.651 421 2HB LEU 88 3HB LEU 88 -9.693 6.696 10.759 422 HG LEU 88 HG LEU 88 -11.845 5.667 11.430 423 1HD1 LEU 88 1HD1 LEU 88 -10.801 3.314 9.791 424 2HD1 LEU 88 2HD1 LEU 88 -12.061 3.181 11.030 425 3HD1 LEU 88 3HD1 LEU 88 -12.359 4.153 9.592 426 1HD2 LEU 88 1HD2 LEU 88 -10.755 3.984 12.873 427 2HD2 LEU 88 2HD2 LEU 88 -9.325 3.992 11.818 428 3HD2 LEU 88 3HD2 LEU 88 -9.761 5.443 12.747 429 H GLY 89 H GLY 89 -8.428 7.095 8.953 430 1HA GLY 89 1HA GLY 89 -8.289 9.902 9.042 431 2HA GLY 89 2HA GLY 89 -6.952 8.806 8.676 432 H GLY 90 H GLY 90 -8.171 7.699 6.213 433 1HA GLY 90 1HA GLY 90 -8.977 9.326 4.224 434 2HA GLY 90 2HA GLY 90 -7.265 9.763 4.364 435 H GLU 91 H GLU 91 -6.897 8.871 2.282 436 HA GLU 91 HA GLU 91 -6.820 5.910 2.014 437 1HB GLU 91 2HB GLU 91 -8.488 7.074 0.492 438 2HB GLU 91 3HB GLU 91 -7.163 8.072 -0.118 439 1HG GLU 91 2HG GLU 91 -6.055 5.949 -0.968 440 2HG GLU 91 3HG GLU 91 -7.509 5.067 -0.489 441 H ILE 92 H ILE 92 -4.900 5.222 0.745 442 HA ILE 92 HA ILE 92 -2.925 7.279 0.126 443 HB ILE 92 HB ILE 92 -2.604 5.818 2.472 444 1HG1 ILE 92 2HG1 ILE 92 -1.499 7.854 2.160 445 2HG1 ILE 92 3HG1 ILE 92 -0.308 6.614 2.538 446 1HG2 ILE 92 1HG2 ILE 92 -0.805 4.464 0.453 447 2HG2 ILE 92 2HG2 ILE 92 -0.857 4.217 2.206 448 3HG2 ILE 92 3HG2 ILE 92 -2.233 3.741 1.206 449 1HD1 ILE 92 1HD1 ILE 92 0.310 6.533 0.091 450 2HD1 ILE 92 2HD1 ILE 92 -0.783 7.912 -0.174 451 3HD1 ILE 92 3HD1 ILE 92 0.610 8.079 0.892 452 H LEU 93 H LEU 93 -1.155 6.204 -1.304 453 HA LEU 93 HA LEU 93 -2.519 4.320 -3.169 454 1HB LEU 93 2HB LEU 93 -1.317 6.986 -3.606 455 2HB LEU 93 3HB LEU 93 -0.662 5.742 -4.675 456 HG LEU 93 HG LEU 93 -3.650 6.073 -4.383 457 1HD1 LEU 93 1HD1 LEU 93 -1.801 7.454 -6.384 458 2HD1 LEU 93 2HD1 LEU 93 -3.576 7.455 -6.428 459 3HD1 LEU 93 3HD1 LEU 93 -2.727 8.259 -5.094 460 1HD2 LEU 93 1HD2 LEU 93 -3.586 4.998 -6.627 461 2HD2 LEU 93 2HD2 LEU 93 -1.806 5.006 -6.590 462 3HD2 LEU 93 3HD2 LEU 93 -2.718 3.989 -5.458 463 H VAL 94 H VAL 94 -1.401 2.546 -3.717 464 HA VAL 94 HA VAL 94 1.380 2.218 -2.689 465 HB VAL 94 HB VAL 94 -0.898 0.224 -2.957 466 1HG1 VAL 94 1HG1 VAL 94 0.663 -1.272 -1.672 467 2HG1 VAL 94 2HG1 VAL 94 1.255 -0.881 -3.294 468 3HG1 VAL 94 3HG1 VAL 94 1.939 -0.054 -1.876 469 1HG2 VAL 94 1HG2 VAL 94 -1.291 1.765 -1.055 470 2HG2 VAL 94 2HG2 VAL 94 -0.857 0.153 -0.481 471 3HG2 VAL 94 3HG2 VAL 94 0.357 1.449 -0.476 472 H THR 95 H THR 95 2.867 1.656 -4.245 473 HA THR 95 HA THR 95 1.882 0.979 -6.972 474 HB THR 95 HB THR 95 4.249 1.817 -7.550 475 HG1 THR 95 1HG THR 95 5.117 3.222 -5.903 476 1HG2 THR 95 1HG2 THR 95 2.352 3.826 -6.241 477 2HG2 THR 95 2HG2 THR 95 3.620 4.195 -7.428 478 3HG2 THR 95 3HG2 THR 95 2.219 3.221 -7.910 479 H TYR 96 H TYR 96 2.829 -0.827 -8.000 480 HA TYR 96 HA TYR 96 4.877 -2.376 -6.554 481 1HB TYR 96 2HB TYR 96 2.609 -3.229 -5.940 482 2HB TYR 96 3HB TYR 96 2.220 -3.419 -7.628 483 HD1 TYR 96 HD1 TYR 96 1.557 -5.631 -6.427 484 HD2 TYR 96 HD2 TYR 96 5.668 -4.499 -7.006 485 HE1 TYR 96 HE1 TYR 96 2.319 -7.950 -5.950 486 HE2 TYR 96 HE2 TYR 96 6.345 -6.825 -6.915 487 HH TYR 96 HH TYR 96 4.274 -8.831 -5.030 488 H ASP 97 H ASP 97 6.469 -2.885 -8.031 489 HA ASP 97 HA ASP 97 6.102 -2.571 -10.883 490 1HB ASP 97 2HB ASP 97 8.414 -3.722 -10.824 491 2HB ASP 97 3HB ASP 97 8.278 -2.177 -9.971 492 H ASP 98 H ASP 98 7.279 -5.625 -9.386 493 HA ASP 98 HA ASP 98 6.357 -7.141 -11.465 494 1HB ASP 98 2HB ASP 98 7.985 -7.672 -9.456 495 2HB ASP 98 3HB ASP 98 6.555 -8.427 -8.738 496 H LEU 99 H LEU 99 4.867 -9.077 -11.344 497 HA LEU 99 HA LEU 99 2.212 -7.969 -11.268 498 1HB LEU 99 2HB LEU 99 3.118 -10.854 -11.652 499 2HB LEU 99 3HB LEU 99 1.453 -10.290 -11.769 500 HG LEU 99 HG LEU 99 2.538 -8.514 -13.479 501 1HD1 LEU 99 1HD1 LEU 99 4.170 -9.774 -14.949 502 2HD1 LEU 99 2HD1 LEU 99 4.843 -9.310 -13.387 503 3HD1 LEU 99 3HD1 LEU 99 4.326 -10.987 -13.669 504 1HD2 LEU 99 1HD2 LEU 99 1.789 -9.988 -15.295 505 2HD2 LEU 99 2HD2 LEU 99 1.765 -11.372 -14.177 506 3HD2 LEU 99 3HD2 LEU 99 0.650 -10.006 -13.941 507 H LEU 100 H LEU 100 0.477 -8.376 -10.027 508 HA LEU 100 HA LEU 100 0.804 -9.069 -7.249 509 1HB LEU 100 2HB LEU 100 -1.506 -8.534 -9.167 510 2HB LEU 100 3HB LEU 100 -1.856 -9.011 -7.512 511 HG LEU 100 HG LEU 100 -0.038 -6.638 -8.115 512 1HD1 LEU 100 1HD1 LEU 100 -2.020 -6.064 -9.287 513 2HD1 LEU 100 2HD1 LEU 100 -3.061 -6.748 -8.050 514 3HD1 LEU 100 3HD1 LEU 100 -2.157 -5.253 -7.719 515 1HD2 LEU 100 1HD2 LEU 100 0.072 -7.413 -5.848 516 2HD2 LEU 100 2HD2 LEU 100 -0.903 -5.946 -5.850 517 3HD2 LEU 100 3HD2 LEU 100 -1.688 -7.534 -5.716 518 HA PRO 101 HA PRO 101 0.118 -13.479 -7.570 519 1HB PRO 101 2HB PRO 101 -1.163 -14.082 -5.213 520 2HB PRO 101 3HB PRO 101 0.526 -13.535 -5.299 521 1HG PRO 101 2HG PRO 101 -1.897 -11.807 -4.678 522 2HG PRO 101 3HG PRO 101 -0.358 -11.898 -3.803 523 1HD PRO 101 2HD PRO 101 -0.877 -10.000 -5.691 524 2HD PRO 101 3HD PRO 101 0.774 -10.678 -5.491 525 H ASP 102 H ASP 102 -2.946 -13.116 -5.808 526 HA ASP 102 HA ASP 102 -4.527 -14.244 -7.775 527 1HB ASP 102 2HB ASP 102 -5.304 -12.379 -5.484 528 2HB ASP 102 3HB ASP 102 -6.373 -13.547 -6.279 529 H LEU 103 H LEU 103 -3.128 -11.680 -8.812 530 HA LEU 103 HA LEU 103 -3.497 -9.641 -9.680 531 1HB LEU 103 2HB LEU 103 -4.376 -11.129 -11.365 532 2HB LEU 103 3HB LEU 103 -5.994 -11.063 -10.665 533 HG LEU 103 HG LEU 103 -6.328 -8.803 -11.390 534 1HD1 LEU 103 1HD1 LEU 103 -4.615 -7.526 -12.636 535 2HD1 LEU 103 2HD1 LEU 103 -4.086 -7.814 -10.978 536 3HD1 LEU 103 3HD1 LEU 103 -3.408 -8.789 -12.302 537 1HD2 LEU 103 1HD2 LEU 103 -6.170 -9.075 -13.789 538 2HD2 LEU 103 2HD2 LEU 103 -4.947 -10.351 -13.606 539 3HD2 LEU 103 3HD2 LEU 103 -6.609 -10.619 -13.037 540 H PHE 104 H PHE 104 -4.668 -10.136 -6.891 541 HA PHE 104 HA PHE 104 -5.787 -8.957 -5.290 542 1HB PHE 104 2HB PHE 104 -3.951 -7.513 -6.172 543 2HB PHE 104 3HB PHE 104 -5.140 -6.620 -7.111 544 HD1 PHE 104 1HD PHE 104 -7.325 -5.960 -5.229 545 HD2 PHE 104 2HD PHE 104 -3.051 -6.002 -4.681 546 HE1 PHE 104 1HE PHE 104 -7.579 -4.644 -3.226 547 HE2 PHE 104 2HE PHE 104 -3.316 -4.355 -2.911 548 HZ PHE 104 HZ PHE 104 -5.545 -3.601 -2.176 549 H ARG 105 H ARG 105 -7.966 -9.936 -5.798 550 HA ARG 105 HA ARG 105 -9.500 -8.685 -7.950 551 1HB ARG 105 2HB ARG 105 -10.231 -10.578 -5.674 552 2HB ARG 105 3HB ARG 105 -11.183 -10.378 -7.135 553 1HG ARG 105 2HG ARG 105 -8.344 -11.163 -7.630 554 2HG ARG 105 3HG ARG 105 -9.273 -12.345 -6.714 555 1HD ARG 105 2HD ARG 105 -10.183 -11.093 -9.325 556 2HD ARG 105 3HD ARG 105 -9.284 -12.629 -9.207 557 HE ARG 105 HE ARG 105 -11.434 -12.901 -7.455 558 1HH1 ARG 105 2HH2 ARG 105 -11.028 -12.348 -10.893 559 2HH1 ARG 105 1HH2 ARG 105 -12.450 -13.212 -11.395 560 1HH2 ARG 105 1HH1 ARG 105 -13.316 -14.118 -8.046 561 2HH2 ARG 105 2HH1 ARG 105 -13.786 -14.258 -9.709 562 H GLU 106 H GLU 106 -8.930 -7.003 -5.438 563 HA GLU 106 HA GLU 106 -9.782 -5.321 -4.549 564 1HB GLU 106 2HB GLU 106 -11.515 -5.415 -6.952 565 2HB GLU 106 3HB GLU 106 -11.858 -4.222 -5.705 566 1HG GLU 106 2HG GLU 106 -9.325 -3.617 -5.746 567 2HG GLU 106 3HG GLU 106 -9.277 -4.542 -7.251 568 H GLY 107 H GLY 107 -11.617 -4.095 -3.437 569 1HA GLY 107 1HA GLY 107 -12.436 -4.121 -1.242 570 2HA GLY 107 2HA GLY 107 -13.729 -4.896 -2.158 571 H GLN 108 H GLN 108 -10.532 -6.131 -0.877 572 HA GLN 108 HA GLN 108 -12.041 -8.073 0.833 573 1HB GLN 108 2HB GLN 108 -10.972 -9.929 -0.221 574 2HB GLN 108 3HB GLN 108 -11.940 -9.023 -1.401 575 1HG GLN 108 2HG GLN 108 -9.788 -7.884 -2.199 576 2HG GLN 108 3HG GLN 108 -8.882 -8.912 -1.115 577 1HE2 GLN 108 1HE2 GLN 108 -7.696 -9.452 -2.961 578 2HE2 GLN 108 2HE2 GLN 108 -8.263 -10.848 -3.871 579 H GLY 109 H GLY 109 -10.710 -6.192 1.746 580 1HA GLY 109 1HA GLY 109 -8.541 -5.375 2.479 581 2HA GLY 109 2HA GLY 109 -9.228 -6.302 3.802 582 H ILE 110 H ILE 110 -6.611 -5.752 1.759 583 HA ILE 110 HA ILE 110 -5.231 -8.360 2.293 584 HB ILE 110 HB ILE 110 -3.952 -8.105 0.283 585 1HG1 ILE 110 2HG1 ILE 110 -5.015 -6.310 -1.374 586 2HG1 ILE 110 3HG1 ILE 110 -5.121 -5.380 0.126 587 1HG2 ILE 110 1HG2 ILE 110 -5.638 -8.616 -1.345 588 2HG2 ILE 110 2HG2 ILE 110 -6.281 -9.183 0.206 589 3HG2 ILE 110 3HG2 ILE 110 -6.866 -7.665 -0.491 590 1HD1 ILE 110 1HD1 ILE 110 -2.966 -4.907 -0.810 591 2HD1 ILE 110 2HD1 ILE 110 -2.614 -6.074 0.457 592 3HD1 ILE 110 3HD1 ILE 110 -2.680 -6.619 -1.229 593 H VAL 111 H VAL 111 -2.848 -7.984 2.552 594 HA VAL 111 HA VAL 111 -2.203 -5.245 3.573 595 HB VAL 111 HB VAL 111 -1.049 -6.076 5.409 596 1HG1 VAL 111 1HG1 VAL 111 -2.762 -7.086 6.763 597 2HG1 VAL 111 2HG1 VAL 111 -3.617 -6.060 5.597 598 3HG1 VAL 111 3HG1 VAL 111 -3.563 -7.810 5.358 599 1HG2 VAL 111 1HG2 VAL 111 0.005 -8.048 4.477 600 2HG2 VAL 111 2HG2 VAL 111 -0.894 -8.519 5.928 601 3HG2 VAL 111 3HG2 VAL 111 -1.561 -8.857 4.308 602 H ALA 112 H ALA 112 -0.348 -4.422 2.773 603 HA ALA 112 HA ALA 112 1.187 -6.037 0.789 604 1HB ALA 112 1HB ALA 112 -0.569 -4.429 -0.141 605 2HB ALA 112 2HB ALA 112 0.340 -3.115 0.613 606 3HB ALA 112 3HB ALA 112 1.105 -4.098 -0.650 607 H GLN 113 H GLN 113 3.441 -5.801 0.969 608 HA GLN 113 HA GLN 113 4.426 -3.399 2.434 609 1HB GLN 113 2HB GLN 113 5.815 -4.732 3.908 610 2HB GLN 113 3HB GLN 113 4.133 -5.291 3.994 611 1HG GLN 113 2HG GLN 113 4.992 -6.952 2.113 612 2HG GLN 113 3HG GLN 113 6.558 -6.647 2.880 613 1HE2 GLN 113 1HE2 GLN 113 6.873 -8.544 4.076 614 2HE2 GLN 113 2HE2 GLN 113 5.709 -9.221 5.136 615 H GLY 114 H GLY 114 6.563 -2.879 2.178 616 1HA GLY 114 1HA GLY 114 8.433 -4.351 0.681 617 2HA GLY 114 2HA GLY 114 7.709 -3.211 -0.457 618 H VAL 115 H VAL 115 8.228 -0.963 -0.247 619 HA VAL 115 HA VAL 115 9.521 -0.013 2.153 620 HB VAL 115 HB VAL 115 11.390 -1.162 1.039 621 1HG1 VAL 115 1HG1 VAL 115 12.267 -0.451 -1.134 622 2HG1 VAL 115 2HG1 VAL 115 10.612 -1.050 -1.312 623 3HG1 VAL 115 3HG1 VAL 115 10.931 0.697 -1.329 624 1HG2 VAL 115 1HG2 VAL 115 11.910 0.862 2.313 625 2HG2 VAL 115 2HG2 VAL 115 13.048 0.546 1.000 626 3HG2 VAL 115 3HG2 VAL 115 11.831 1.811 0.811 627 H LEU 116 H LEU 116 9.722 2.223 2.240 628 HA LEU 116 HA LEU 116 7.833 3.726 0.518 629 1HB LEU 116 2HB LEU 116 9.412 4.228 3.068 630 2HB LEU 116 3HB LEU 116 8.611 5.541 2.195 631 HG LEU 116 HG LEU 116 6.541 4.876 2.633 632 1HD1 LEU 116 1HD1 LEU 116 6.529 2.539 1.813 633 2HD1 LEU 116 2HD1 LEU 116 7.353 2.020 3.298 634 3HD1 LEU 116 3HD1 LEU 116 5.707 2.694 3.344 635 1HD2 LEU 116 1HD2 LEU 116 7.989 3.747 5.039 636 2HD2 LEU 116 2HD2 LEU 116 7.744 5.480 4.709 637 3HD2 LEU 116 3HD2 LEU 116 6.346 4.426 5.006 638 H GLY 117 H GLY 117 8.440 5.569 -0.707 639 1HA GLY 117 1HA GLY 117 11.227 6.388 -0.883 640 2HA GLY 117 2HA GLY 117 10.756 5.379 -2.263 641 H GLU 118 H GLU 118 8.264 6.102 -2.840 642 HA GLU 118 HA GLU 118 8.627 8.631 -4.101 643 1HB GLU 118 2HB GLU 118 5.969 7.271 -3.569 644 2HB GLU 118 3HB GLU 118 6.401 8.298 -4.949 645 1HG GLU 118 2HG GLU 118 8.043 6.434 -5.593 646 2HG GLU 118 3HG GLU 118 7.312 5.455 -4.319 647 H ASP 119 H ASP 119 7.846 10.639 -3.509 648 HA ASP 119 HA ASP 119 7.600 11.158 -0.813 649 1HB ASP 119 2HB ASP 119 7.020 13.067 -3.140 650 2HB ASP 119 3HB ASP 119 7.602 13.498 -1.529 651 H GLY 120 H GLY 120 5.673 9.656 -0.884 652 1HA GLY 120 1HA GLY 120 3.523 10.027 0.309 653 2HA GLY 120 2HA GLY 120 2.995 11.039 -1.045 654 H LYS 121 H LYS 121 4.851 8.092 -1.779 655 HA LYS 121 HA LYS 121 2.462 6.423 -1.763 656 1HB LYS 121 2HB LYS 121 3.955 7.124 -4.285 657 2HB LYS 121 3HB LYS 121 3.394 5.476 -4.065 658 1HG LYS 121 2HG LYS 121 1.529 6.177 -5.039 659 2HG LYS 121 3HG LYS 121 1.113 6.742 -3.428 660 1HD LYS 121 2HD LYS 121 0.598 8.538 -4.893 661 2HD LYS 121 3HD LYS 121 2.030 9.002 -3.993 662 1HE LYS 121 2HE LYS 121 2.264 9.659 -6.308 663 2HE LYS 121 3HE LYS 121 3.487 8.465 -5.901 664 1HZ LYS 121 1HZ LYS 121 2.371 6.800 -6.992 665 2HZ LYS 121 2HZ LYS 121 1.021 7.726 -7.281 666 3HZ LYS 121 3HZ LYS 121 2.456 8.061 -8.025 667 H LEU 122 H LEU 122 3.011 4.146 -2.004 668 HA LEU 122 HA LEU 122 5.620 3.584 -0.639 669 1HB LEU 122 2HB LEU 122 3.034 2.026 -0.298 670 2HB LEU 122 3HB LEU 122 4.484 1.989 0.688 671 HG LEU 122 HG LEU 122 2.862 3.036 1.964 672 1HD1 LEU 122 1HD1 LEU 122 3.621 5.731 1.444 673 2HD1 LEU 122 2HD1 LEU 122 4.220 4.624 2.690 674 3HD1 LEU 122 3HD1 LEU 122 5.033 4.730 1.113 675 1HD2 LEU 122 1HD2 LEU 122 2.013 4.955 -0.173 676 2HD2 LEU 122 2HD2 LEU 122 1.211 3.425 0.226 677 3HD2 LEU 122 3HD2 LEU 122 1.353 4.716 1.438 678 H ALA 123 H ALA 123 6.873 1.975 -1.557 679 HA ALA 123 HA ALA 123 5.824 0.717 -4.047 680 1HB ALA 123 1HB ALA 123 8.645 0.858 -2.915 681 2HB ALA 123 2HB ALA 123 8.152 0.118 -4.450 682 3HB ALA 123 3HB ALA 123 7.971 1.867 -4.213 683 H ALA 124 H ALA 124 4.535 -0.990 -3.334 684 HA ALA 124 HA ALA 124 5.652 -2.799 -1.218 685 1HB ALA 124 1HB ALA 124 2.758 -2.425 -1.978 686 2HB ALA 124 2HB ALA 124 3.415 -3.424 -0.672 687 3HB ALA 124 3HB ALA 124 3.547 -1.655 -0.573 688 H THR 125 H THR 125 5.778 -4.963 -1.661 689 HA THR 125 HA THR 125 4.869 -5.901 -4.333 690 HB THR 125 HB THR 125 7.156 -5.674 -4.743 691 HG1 THR 125 1HG THR 125 6.317 -7.900 -5.012 692 1HG2 THR 125 1HG2 THR 125 8.950 -6.433 -3.233 693 2HG2 THR 125 2HG2 THR 125 8.009 -5.125 -2.509 694 3HG2 THR 125 3HG2 THR 125 7.762 -6.808 -1.977 695 H GLU 126 H GLU 126 5.712 -6.837 -0.961 696 HA GLU 126 HA GLU 126 4.648 -9.534 -1.562 697 1HB GLU 126 2HB GLU 126 6.668 -9.427 -0.336 698 2HB GLU 126 3HB GLU 126 5.969 -8.421 0.925 699 1HG GLU 126 2HG GLU 126 4.482 -10.234 1.598 700 2HG GLU 126 3HG GLU 126 4.978 -11.214 0.206 701 H VAL 127 H VAL 127 2.561 -9.414 -1.885 702 HA VAL 127 HA VAL 127 0.758 -7.961 -0.025 703 HB VAL 127 HB VAL 127 -0.885 -8.284 -1.919 704 1HG1 VAL 127 1HG1 VAL 127 1.525 -6.458 -2.290 705 2HG1 VAL 127 2HG1 VAL 127 -0.002 -6.321 -3.192 706 3HG1 VAL 127 3HG1 VAL 127 0.000 -6.123 -1.437 707 1HG2 VAL 127 1HG2 VAL 127 0.704 -9.941 -3.198 708 2HG2 VAL 127 2HG2 VAL 127 -0.168 -8.686 -4.081 709 3HG2 VAL 127 3HG2 VAL 127 1.553 -8.479 -3.715 710 H LEU 128 H LEU 128 -0.218 -9.177 1.444 711 HA LEU 128 HA LEU 128 -0.592 -12.104 0.899 712 1HB LEU 128 2HB LEU 128 -0.516 -10.771 3.603 713 2HB LEU 128 3HB LEU 128 -0.458 -12.486 3.193 714 HG LEU 128 HG LEU 128 1.630 -11.917 3.982 715 1HD1 LEU 128 1HD1 LEU 128 3.185 -12.343 2.207 716 2HD1 LEU 128 2HD1 LEU 128 1.732 -13.342 1.974 717 3HD1 LEU 128 3HD1 LEU 128 1.998 -11.895 0.969 718 1HD2 LEU 128 1HD2 LEU 128 2.029 -9.630 2.037 719 2HD2 LEU 128 2HD2 LEU 128 1.466 -9.431 3.706 720 3HD2 LEU 128 3HD2 LEU 128 3.046 -10.140 3.390 721 H ALA 129 H ALA 129 -2.666 -12.476 0.296 722 HA ALA 129 HA ALA 129 -4.845 -10.675 1.199 723 1HB ALA 129 1HB ALA 129 -4.494 -11.038 -1.225 724 2HB ALA 129 2HB ALA 129 -4.747 -12.782 -0.997 725 3HB ALA 129 3HB ALA 129 -6.072 -11.643 -0.691 726 H LYS 130 H LYS 130 -4.022 -12.271 3.290 727 HA LYS 130 HA LYS 130 -5.526 -14.796 3.293 728 1HB LYS 130 2HB LYS 130 -4.651 -15.118 5.512 729 2HB LYS 130 3HB LYS 130 -3.353 -14.716 4.398 730 1HG LYS 130 2HG LYS 130 -4.593 -12.388 5.824 731 2HG LYS 130 3HG LYS 130 -3.778 -13.561 6.866 732 1HD LYS 130 2HD LYS 130 -1.673 -13.112 5.958 733 2HD LYS 130 3HD LYS 130 -2.334 -12.633 4.399 734 1HE LYS 130 2HE LYS 130 -1.406 -10.726 5.669 735 2HE LYS 130 3HE LYS 130 -3.107 -10.519 5.184 736 1HZ LYS 130 1HZ LYS 130 -2.703 -9.813 7.441 737 2HZ LYS 130 2HZ LYS 130 -3.724 -11.099 7.440 738 3HZ LYS 130 3HZ LYS 130 -2.147 -11.300 7.869 739 H HIS 131 H HID 131 -7.430 -12.956 2.772 740 HA HIS 131 HA HID 131 -8.523 -11.712 5.155 741 1HB HIS 131 2HB HID 131 -10.572 -11.376 3.686 742 2HB HIS 131 3HB HID 131 -9.061 -10.599 3.225 743 HD1 HIS 131 1HD HID 131 -11.254 -13.566 2.045 744 HD2 HIS 131 2HD HID 131 -7.998 -11.146 0.913 745 HE1 HIS 131 1HE HID 131 -10.803 -14.056 -0.416 746 H ASP 132 H ASP 132 -9.538 -14.580 3.244 747 HA ASP 132 HA ASP 132 -9.845 -16.169 5.507 748 1HB ASP 132 2HB ASP 132 -12.091 -14.820 5.571 749 2HB ASP 132 3HB ASP 132 -12.529 -15.731 4.120 Start of MODEL 16 1 H SER 32 H SER 32 18.124 -6.352 9.927 2 HA SER 32 HA SER 32 15.526 -7.435 9.177 3 1HB SER 32 2HB SER 32 16.120 -8.772 11.343 4 2HB SER 32 3HB SER 32 17.164 -8.979 9.923 5 HG SER 32 HG SER 32 17.677 -7.226 12.107 6 H ASN 33 H ASN 33 13.777 -7.538 10.761 7 HA ASN 33 HA ASN 33 12.306 -6.723 12.251 8 1HB ASN 33 2HB ASN 33 14.492 -6.811 13.724 9 2HB ASN 33 3HB ASN 33 14.396 -5.047 13.667 10 1HD2 ASN 33 1HD2 ASN 33 13.984 -7.162 15.888 11 2HD2 ASN 33 2HD2 ASN 33 12.424 -6.731 16.558 12 H LEU 34 H LEU 34 11.951 -4.117 13.359 13 HA LEU 34 HA LEU 34 11.075 -2.127 12.809 14 1HB LEU 34 2HB LEU 34 13.624 -1.903 12.514 15 2HB LEU 34 3HB LEU 34 13.327 -1.780 10.786 16 HG LEU 34 HG LEU 34 11.912 0.024 12.814 17 1HD1 LEU 34 1HD1 LEU 34 13.744 1.653 12.526 18 2HD1 LEU 34 2HD1 LEU 34 14.299 0.167 13.307 19 3HD1 LEU 34 3HD1 LEU 34 14.663 0.453 11.590 20 1HD2 LEU 34 1HD2 LEU 34 11.996 1.662 10.906 21 2HD2 LEU 34 2HD2 LEU 34 12.665 0.384 9.875 22 3HD2 LEU 34 3HD2 LEU 34 11.022 0.240 10.544 23 H ASN 35 H ASN 35 9.573 -3.966 11.803 24 HA ASN 35 HA ASN 35 8.557 -2.848 9.308 25 1HB ASN 35 2HB ASN 35 10.431 -4.819 8.994 26 2HB ASN 35 3HB ASN 35 9.018 -5.835 9.186 27 1HD2 ASN 35 1HD2 ASN 35 7.148 -3.880 7.775 28 2HD2 ASN 35 2HD2 ASN 35 7.678 -3.928 6.106 29 H LEU 36 H LEU 36 6.424 -2.559 10.028 30 HA LEU 36 HA LEU 36 4.987 -4.865 11.174 31 1HB LEU 36 2HB LEU 36 4.152 -3.729 13.032 32 2HB LEU 36 3HB LEU 36 5.902 -3.637 13.123 33 HG LEU 36 HG LEU 36 4.149 -1.346 12.084 34 1HD1 LEU 36 1HD1 LEU 36 4.361 -0.372 14.325 35 2HD1 LEU 36 2HD1 LEU 36 3.493 -1.911 14.373 36 3HD1 LEU 36 3HD1 LEU 36 5.190 -1.837 14.897 37 1HD2 LEU 36 1HD2 LEU 36 7.047 -1.510 13.041 38 2HD2 LEU 36 2HD2 LEU 36 6.479 -1.041 11.420 39 3HD2 LEU 36 3HD2 LEU 36 6.172 0.008 12.799 40 H PHE 37 H PHE 37 2.614 -4.190 11.515 41 HA PHE 37 HA PHE 37 1.663 -3.254 8.917 42 1HB PHE 37 2HB PHE 37 0.216 -4.471 11.277 43 2HB PHE 37 3HB PHE 37 -0.524 -4.030 9.748 44 HD1 PHE 37 1HD PHE 37 1.311 -6.647 11.484 45 HD2 PHE 37 2HD PHE 37 0.305 -5.104 7.586 46 HE1 PHE 37 1HE PHE 37 2.044 -8.775 10.453 47 HE2 PHE 37 2HE PHE 37 1.141 -7.195 6.553 48 HZ PHE 37 HZ PHE 37 2.002 -9.040 7.973 49 H TYR 38 H TYR 38 0.820 -1.279 8.530 50 HA TYR 38 HA TYR 38 -0.032 0.446 10.802 51 1HB TYR 38 2HB TYR 38 2.196 0.814 8.898 52 2HB TYR 38 3HB TYR 38 1.047 2.135 8.827 53 HD1 TYR 38 HD1 TYR 38 3.818 0.777 10.679 54 HD2 TYR 38 HD2 TYR 38 0.321 3.276 11.015 55 HE1 TYR 38 HE1 TYR 38 4.800 1.893 12.662 56 HE2 TYR 38 HE2 TYR 38 1.271 4.305 13.077 57 HH TYR 38 HH TYR 38 4.495 3.468 14.321 58 H THR 39 H THR 39 -1.770 1.759 10.434 59 HA THR 39 HA THR 39 -3.589 1.063 8.406 60 HB THR 39 HB THR 39 -3.522 3.338 10.440 61 HG1 THR 39 1HG THR 39 -4.491 0.688 10.672 62 1HG2 THR 39 1HG2 THR 39 -5.371 3.610 8.847 63 2HG2 THR 39 2HG2 THR 39 -5.879 1.928 9.126 64 3HG2 THR 39 3HG2 THR 39 -5.972 3.120 10.440 65 HA PRO 40 HA PRO 40 -2.113 3.997 5.362 66 1HB PRO 40 2HB PRO 40 -4.379 4.331 3.803 67 2HB PRO 40 3HB PRO 40 -3.171 3.034 3.672 68 1HG PRO 40 2HG PRO 40 -5.831 2.961 5.059 69 2HG PRO 40 3HG PRO 40 -5.054 1.689 4.086 70 1HD PRO 40 2HD PRO 40 -5.035 1.611 6.793 71 2HD PRO 40 3HD PRO 40 -3.608 1.082 5.845 72 H SER 41 H SER 41 -5.306 4.763 6.873 73 HA SER 41 HA SER 41 -5.404 7.521 6.476 74 1HB SER 41 2HB SER 41 -7.193 6.312 7.643 75 2HB SER 41 3HB SER 41 -6.115 5.969 9.011 76 HG SER 41 HG SER 41 -7.329 7.782 9.486 77 H GLU 42 H GLU 42 -3.595 5.823 9.029 78 HA GLU 42 HA GLU 42 -2.664 7.976 10.522 79 1HB GLU 42 2HB GLU 42 -2.427 5.440 10.906 80 2HB GLU 42 3HB GLU 42 -1.064 5.481 9.790 81 1HG GLU 42 2HG GLU 42 -0.093 5.567 11.878 82 2HG GLU 42 3HG GLU 42 -0.022 7.234 11.332 83 H ILE 43 H ILE 43 -1.133 6.378 7.723 84 HA ILE 43 HA ILE 43 1.074 8.223 7.645 85 HB ILE 43 HB ILE 43 1.722 6.994 5.594 86 1HG1 ILE 43 2HG1 ILE 43 -0.527 5.122 6.301 87 2HG1 ILE 43 3HG1 ILE 43 -0.514 6.225 4.897 88 1HG2 ILE 43 1HG2 ILE 43 2.504 6.508 7.928 89 2HG2 ILE 43 2HG2 ILE 43 1.196 5.321 8.087 90 3HG2 ILE 43 3HG2 ILE 43 2.497 5.079 6.903 91 1HD1 ILE 43 1HD1 ILE 43 0.135 4.044 4.134 92 2HD1 ILE 43 2HD1 ILE 43 1.581 5.072 4.113 93 3HD1 ILE 43 3HD1 ILE 43 1.349 3.870 5.405 94 H VAL 44 H VAL 44 -2.087 8.675 6.493 95 HA VAL 44 HA VAL 44 -1.268 10.584 4.394 96 HB VAL 44 HB VAL 44 -3.952 9.793 5.573 97 1HG1 VAL 44 1HG1 VAL 44 -4.163 12.166 4.994 98 2HG1 VAL 44 2HG1 VAL 44 -3.351 11.882 3.436 99 3HG1 VAL 44 3HG1 VAL 44 -4.953 11.186 3.759 100 1HG2 VAL 44 1HG2 VAL 44 -2.773 9.489 2.801 101 2HG2 VAL 44 2HG2 VAL 44 -2.877 8.195 4.018 102 3HG2 VAL 44 3HG2 VAL 44 -4.356 8.899 3.349 103 H ASN 45 H ASN 45 -1.855 10.590 7.903 104 HA ASN 45 HA ASN 45 -2.362 13.564 7.779 105 1HB ASN 45 2HB ASN 45 -3.370 11.440 9.669 106 2HB ASN 45 3HB ASN 45 -3.622 13.181 9.858 107 1HD2 ASN 45 1HD2 ASN 45 -4.515 10.340 7.863 108 2HD2 ASN 45 2HD2 ASN 45 -5.868 11.152 7.095 109 H GLY 46 H GLY 46 -0.153 14.170 7.969 110 1HA GLY 46 1HA GLY 46 1.576 15.008 9.295 111 2HA GLY 46 2HA GLY 46 0.646 14.562 10.737 112 H LYS 47 H LYS 47 1.829 12.623 8.050 113 HA LYS 47 HA LYS 47 4.024 11.401 9.291 114 1HB LYS 47 2HB LYS 47 1.450 9.796 9.040 115 2HB LYS 47 3HB LYS 47 3.027 9.000 8.996 116 1HG LYS 47 2HG LYS 47 2.809 8.736 11.162 117 2HG LYS 47 3HG LYS 47 3.314 10.427 11.279 118 1HD LYS 47 2HD LYS 47 0.812 11.027 11.168 119 2HD LYS 47 3HD LYS 47 0.437 9.346 11.299 120 1HE LYS 47 2HE LYS 47 2.136 10.895 13.328 121 2HE LYS 47 3HE LYS 47 0.380 10.704 13.445 122 1HZ LYS 47 1HZ LYS 47 1.513 9.052 14.757 123 2HZ LYS 47 2HZ LYS 47 0.606 8.392 13.590 124 3HZ LYS 47 3HZ LYS 47 2.236 8.415 13.410 125 H THR 48 H THR 48 3.759 9.114 7.168 126 HA THR 48 HA THR 48 5.407 9.856 5.459 127 HB THR 48 HB THR 48 2.840 8.525 4.589 128 HG1 THR 48 1HG THR 48 3.755 6.713 5.569 129 1HG2 THR 48 1HG2 THR 48 4.171 7.260 3.064 130 2HG2 THR 48 2HG2 THR 48 4.442 8.959 2.755 131 3HG2 THR 48 3HG2 THR 48 5.678 8.056 3.635 132 H ASP 49 H ASP 49 1.982 10.623 4.449 133 HA ASP 49 HA ASP 49 2.419 12.001 2.078 134 1HB ASP 49 2HB ASP 49 0.184 11.767 2.831 135 2HB ASP 49 3HB ASP 49 0.556 12.452 4.425 136 H THR 50 H THR 50 2.586 13.322 5.330 137 HA THR 50 HA THR 50 3.634 15.911 4.469 138 HB THR 50 HB THR 50 3.085 15.089 7.309 139 HG1 THR 50 1HG THR 50 1.127 15.125 5.286 140 1HG2 THR 50 1HG2 THR 50 2.097 17.343 7.431 141 2HG2 THR 50 2HG2 THR 50 3.742 17.425 6.763 142 3HG2 THR 50 3HG2 THR 50 2.334 17.558 5.685 143 H GLY 51 H GLY 51 4.741 12.920 5.794 144 1HA GLY 51 1HA GLY 51 6.757 12.072 6.347 145 2HA GLY 51 2HA GLY 51 7.443 13.414 5.425 146 H VAL 52 H VAL 52 5.544 13.865 8.413 147 HA VAL 52 HA VAL 52 7.769 15.395 9.501 148 HB VAL 52 HB VAL 52 6.319 16.058 11.265 149 1HG1 VAL 52 1HG1 VAL 52 4.521 17.079 9.998 150 2HG1 VAL 52 2HG1 VAL 52 5.984 17.057 8.995 151 3HG1 VAL 52 3HG1 VAL 52 4.685 15.885 8.703 152 1HG2 VAL 52 1HG2 VAL 52 5.203 14.042 11.945 153 2HG2 VAL 52 2HG2 VAL 52 3.946 15.137 11.363 154 3HG2 VAL 52 3HG2 VAL 52 4.525 13.817 10.319 155 H LYS 53 H LYS 53 6.328 12.256 10.281 156 HA LYS 53 HA LYS 53 8.447 11.787 12.321 157 1HB LYS 53 2HB LYS 53 5.577 10.929 12.123 158 2HB LYS 53 3HB LYS 53 6.732 9.870 12.958 159 1HG LYS 53 2HG LYS 53 6.640 12.830 13.572 160 2HG LYS 53 3HG LYS 53 5.436 11.743 14.275 161 1HD LYS 53 2HD LYS 53 7.086 10.386 15.354 162 2HD LYS 53 3HD LYS 53 8.429 11.127 14.464 163 1HE LYS 53 2HE LYS 53 8.162 13.239 15.589 164 2HE LYS 53 3HE LYS 53 6.632 12.723 16.312 165 1HZ LYS 53 1HZ LYS 53 7.872 11.110 17.612 166 2HZ LYS 53 2HZ LYS 53 9.286 11.551 16.896 167 3HZ LYS 53 3HZ LYS 53 8.488 12.611 17.864 168 HA PRO 54 HA PRO 54 9.033 7.915 9.897 169 1HB PRO 54 2HB PRO 54 7.318 6.910 8.020 170 2HB PRO 54 3HB PRO 54 7.099 6.634 9.774 171 1HG PRO 54 2HG PRO 54 5.785 8.750 8.053 172 2HG PRO 54 3HG PRO 54 4.996 7.628 9.199 173 1HD PRO 54 2HD PRO 54 5.679 10.190 9.899 174 2HD PRO 54 3HD PRO 54 5.803 8.831 11.060 175 H GLU 55 H GLU 55 10.713 8.620 8.639 176 HA GLU 55 HA GLU 55 10.374 10.376 6.343 177 1HB GLU 55 2HB GLU 55 12.722 8.801 7.490 178 2HB GLU 55 3HB GLU 55 12.851 9.899 6.114 179 1HG GLU 55 2HG GLU 55 12.129 11.799 7.468 180 2HG GLU 55 3HG GLU 55 11.857 10.762 8.875 181 H ALA 56 H ALA 56 11.112 9.720 4.204 182 HA ALA 56 HA ALA 56 9.851 7.364 3.234 183 1HB ALA 56 1HB ALA 56 10.168 9.478 1.955 184 2HB ALA 56 2HB ALA 56 11.910 9.156 1.880 185 3HB ALA 56 3HB ALA 56 10.768 8.068 1.060 186 H GLY 57 H GLY 57 11.102 5.757 1.733 187 1HA GLY 57 1HA GLY 57 12.754 4.227 1.371 188 2HA GLY 57 2HA GLY 57 13.879 5.261 2.255 189 H GLN 58 H GLN 58 11.175 4.526 4.204 190 HA GLN 58 HA GLN 58 12.716 2.511 5.759 191 1HB GLN 58 2HB GLN 58 10.241 4.174 6.380 192 2HB GLN 58 3HB GLN 58 10.869 2.887 7.422 193 1HG GLN 58 2HG GLN 58 13.059 4.080 7.567 194 2HG GLN 58 3HG GLN 58 12.365 5.430 6.649 195 1HE2 GLN 58 1HE2 GLN 58 10.322 6.408 7.577 196 2HE2 GLN 58 2HE2 GLN 58 10.112 6.348 9.337 197 H ARG 59 H ARG 59 11.620 0.579 6.449 198 HA ARG 59 HA ARG 59 9.715 -0.434 4.420 199 1HB ARG 59 2HB ARG 59 11.561 -1.847 6.390 200 2HB ARG 59 3HB ARG 59 10.334 -2.665 5.422 201 1HG ARG 59 2HG ARG 59 11.868 -0.946 3.671 202 2HG ARG 59 3HG ARG 59 13.002 -1.897 4.617 203 1HD ARG 59 2HD ARG 59 10.608 -3.207 3.258 204 2HD ARG 59 3HD ARG 59 12.062 -2.802 2.336 205 HE ARG 59 HE ARG 59 13.002 -4.167 4.555 206 1HH1 ARG 59 2HH2 ARG 59 10.522 -5.116 2.226 207 2HH1 ARG 59 1HH2 ARG 59 11.288 -6.572 1.740 208 1HH2 ARG 59 1HH1 ARG 59 14.031 -6.168 3.981 209 2HH2 ARG 59 2HH1 ARG 59 13.288 -7.232 2.828 210 H ILE 60 H ILE 60 7.677 -0.943 4.951 211 HA ILE 60 HA ILE 60 6.877 -1.490 7.683 212 HB ILE 60 HB ILE 60 5.012 0.081 7.732 213 1HG1 ILE 60 2HG1 ILE 60 6.244 1.458 5.317 214 2HG1 ILE 60 3HG1 ILE 60 4.802 0.440 5.255 215 1HG2 ILE 60 1HG2 ILE 60 7.589 1.658 7.433 216 2HG2 ILE 60 2HG2 ILE 60 6.186 2.036 8.450 217 3HG2 ILE 60 3HG2 ILE 60 7.185 0.638 8.834 218 1HD1 ILE 60 1HD1 ILE 60 5.041 3.048 6.801 219 2HD1 ILE 60 2HD1 ILE 60 4.094 2.734 5.342 220 3HD1 ILE 60 3HD1 ILE 60 3.649 1.943 6.864 221 H ARG 61 H ARG 61 4.351 -2.004 7.519 222 HA ARG 61 HA ARG 61 3.733 -3.055 4.813 223 1HB ARG 61 2HB ARG 61 2.686 -4.295 7.353 224 2HB ARG 61 3HB ARG 61 2.665 -4.932 5.706 225 1HG ARG 61 2HG ARG 61 5.240 -4.975 5.903 226 2HG ARG 61 3HG ARG 61 5.025 -4.629 7.620 227 1HD ARG 61 2HD ARG 61 3.671 -6.647 7.921 228 2HD ARG 61 3HD ARG 61 3.755 -7.018 6.208 229 HE ARG 61 HE ARG 61 5.868 -7.870 6.425 230 1HH1 ARG 61 2HH2 ARG 61 4.918 -6.314 9.417 231 2HH1 ARG 61 1HH2 ARG 61 6.425 -6.579 10.248 232 1HH2 ARG 61 1HH1 ARG 61 7.777 -8.540 7.582 233 2HH2 ARG 61 2HH1 ARG 61 7.949 -8.128 9.258 234 H VAL 62 H VAL 62 2.082 -1.908 3.940 235 HA VAL 62 HA VAL 62 0.418 -0.230 5.750 236 HB VAL 62 HB VAL 62 1.201 0.915 3.828 237 1HG1 VAL 62 1HG1 VAL 62 -0.249 -1.104 2.070 238 2HG1 VAL 62 2HG1 VAL 62 0.549 0.381 1.536 239 3HG1 VAL 62 3HG1 VAL 62 1.522 -0.929 2.200 240 1HG2 VAL 62 1HG2 VAL 62 -0.915 1.759 2.972 241 2HG2 VAL 62 2HG2 VAL 62 -1.769 0.303 3.511 242 3HG2 VAL 62 3HG2 VAL 62 -1.068 1.418 4.706 243 H GLY 63 H GLY 63 -1.553 -0.972 6.454 244 1HA GLY 63 1HA GLY 63 -2.775 -3.333 5.057 245 2HA GLY 63 2HA GLY 63 -2.520 -3.295 6.807 246 H GLY 64 H GLY 64 -4.851 -2.927 4.492 247 1HA GLY 64 1HA GLY 64 -6.675 -1.457 6.145 248 2HA GLY 64 2HA GLY 64 -6.060 -0.454 4.809 249 H MET 65 H MET 65 -8.403 -0.566 4.195 250 HA MET 65 HA MET 65 -9.212 -3.147 2.949 251 1HB MET 65 2HB MET 65 -11.485 -2.327 3.013 252 2HB MET 65 3HB MET 65 -10.754 -2.343 4.611 253 1HG MET 65 2HG MET 65 -10.205 0.255 3.782 254 2HG MET 65 3HG MET 65 -11.700 -0.081 2.938 255 1HE MET 65 1HE MET 65 -9.842 0.040 6.345 256 2HE MET 65 2HE MET 65 -11.171 0.009 7.528 257 3HE MET 65 3HE MET 65 -10.755 -1.456 6.618 258 H VAL 66 H VAL 66 -9.461 -3.310 0.806 259 HA VAL 66 HA VAL 66 -8.716 -0.921 -0.797 260 HB VAL 66 HB VAL 66 -7.914 -2.235 -2.390 261 1HG1 VAL 66 1HG1 VAL 66 -6.398 -3.830 -1.334 262 2HG1 VAL 66 2HG1 VAL 66 -6.622 -2.463 -0.235 263 3HG1 VAL 66 3HG1 VAL 66 -7.455 -4.006 0.065 264 1HG2 VAL 66 1HG2 VAL 66 -9.506 -4.623 -1.421 265 2HG2 VAL 66 2HG2 VAL 66 -9.708 -3.696 -2.924 266 3HG2 VAL 66 3HG2 VAL 66 -8.255 -4.676 -2.671 267 H THR 67 H THR 67 -9.986 0.006 -2.329 268 HA THR 67 HA THR 67 -12.836 -0.523 -2.289 269 HB THR 67 HB THR 67 -10.975 1.556 -3.434 270 HG1 THR 67 1HG THR 67 -12.298 1.446 -1.340 271 1HG2 THR 67 1HG2 THR 67 -12.421 1.166 -5.378 272 2HG2 THR 67 2HG2 THR 67 -13.871 1.276 -4.339 273 3HG2 THR 67 3HG2 THR 67 -12.819 2.683 -4.577 274 H VAL 68 H VAL 68 -14.014 -1.067 -4.025 275 HA VAL 68 HA VAL 68 -13.236 -3.305 -5.507 276 HB VAL 68 HB VAL 68 -15.496 -2.854 -4.895 277 1HG1 VAL 68 1HG1 VAL 68 -16.957 -1.289 -5.955 278 2HG1 VAL 68 2HG1 VAL 68 -15.588 -0.373 -5.321 279 3HG1 VAL 68 3HG1 VAL 68 -15.704 -0.727 -7.061 280 1HG2 VAL 68 1HG2 VAL 68 -15.034 -4.392 -6.764 281 2HG2 VAL 68 2HG2 VAL 68 -16.603 -3.587 -6.937 282 3HG2 VAL 68 3HG2 VAL 68 -15.226 -3.057 -7.920 283 H GLY 69 H GLY 69 -13.687 0.046 -6.771 284 1HA GLY 69 1HA GLY 69 -12.326 -0.683 -9.316 285 2HA GLY 69 2HA GLY 69 -13.228 0.790 -8.950 286 H SER 70 H SER 70 -10.292 -0.991 -7.838 287 HA SER 70 HA SER 70 -8.739 1.545 -7.929 288 1HB SER 70 2HB SER 70 -9.260 -0.010 -5.354 289 2HB SER 70 3HB SER 70 -8.026 1.228 -5.541 290 HG SER 70 HG SER 70 -10.221 2.268 -6.525 291 H MET 71 H MET 71 -8.425 -0.545 -9.621 292 HA MET 71 HA MET 71 -5.704 -1.474 -8.903 293 1HB MET 71 2HB MET 71 -7.636 -3.247 -8.714 294 2HB MET 71 3HB MET 71 -7.729 -3.108 -10.468 295 1HG MET 71 2HG MET 71 -5.471 -4.232 -8.837 296 2HG MET 71 3HG MET 71 -6.561 -5.055 -9.949 297 1HE MET 71 1HE MET 71 -3.124 -4.094 -9.423 298 2HE MET 71 2HE MET 71 -2.657 -2.977 -10.728 299 3HE MET 71 3HE MET 71 -3.861 -2.483 -9.518 300 H VAL 72 H VAL 72 -4.349 -0.537 -10.541 301 HA VAL 72 HA VAL 72 -5.427 -0.567 -13.297 302 HB VAL 72 HB VAL 72 -4.542 1.595 -13.850 303 1HG1 VAL 72 1HG1 VAL 72 -6.165 3.027 -12.757 304 2HG1 VAL 72 2HG1 VAL 72 -6.898 1.445 -13.070 305 3HG1 VAL 72 3HG1 VAL 72 -6.366 1.873 -11.427 306 1HG2 VAL 72 1HG2 VAL 72 -2.711 1.880 -12.341 307 2HG2 VAL 72 2HG2 VAL 72 -3.835 3.220 -12.102 308 3HG2 VAL 72 3HG2 VAL 72 -3.803 1.893 -10.921 309 H ARG 73 H ARG 73 -3.913 -1.094 -14.840 310 HA ARG 73 HA ARG 73 -1.256 -1.948 -13.814 311 1HB ARG 73 2HB ARG 73 -1.411 -3.922 -15.244 312 2HB ARG 73 3HB ARG 73 -2.751 -3.914 -14.083 313 1HG ARG 73 2HG ARG 73 -4.319 -3.182 -15.731 314 2HG ARG 73 3HG ARG 73 -3.070 -3.001 -16.975 315 1HD ARG 73 2HD ARG 73 -3.664 -5.626 -15.568 316 2HD ARG 73 3HD ARG 73 -4.452 -5.101 -17.078 317 HE ARG 73 HE ARG 73 -1.635 -4.908 -17.447 318 1HH1 ARG 73 2HH2 ARG 73 -4.140 -7.334 -16.974 319 2HH1 ARG 73 1HH2 ARG 73 -3.411 -8.547 -17.980 320 1HH2 ARG 73 1HH1 ARG 73 -0.584 -6.556 -18.844 321 2HH2 ARG 73 2HH1 ARG 73 -1.378 -8.067 -19.057 322 H ASP 74 H ASP 74 0.482 -1.820 -15.264 323 HA ASP 74 HA ASP 74 0.183 0.019 -17.513 324 1HB ASP 74 2HB ASP 74 2.440 -1.580 -16.255 325 2HB ASP 74 3HB ASP 74 2.628 -0.863 -17.848 326 HA PRO 75 HA PRO 75 -0.036 -3.353 -20.586 327 1HB PRO 75 2HB PRO 75 1.040 -2.131 -22.794 328 2HB PRO 75 3HB PRO 75 -0.556 -1.625 -22.165 329 1HG PRO 75 2HG PRO 75 2.140 -0.348 -21.600 330 2HG PRO 75 3HG PRO 75 0.638 0.465 -22.125 331 1HD PRO 75 2HD PRO 75 1.381 0.355 -19.504 332 2HD PRO 75 3HD PRO 75 -0.336 0.240 -19.976 333 H ASN 76 H ASN 76 2.888 -1.674 -19.697 334 HA ASN 76 HA ASN 76 4.835 -3.537 -20.451 335 1HB ASN 76 2HB ASN 76 4.550 -2.292 -17.671 336 2HB ASN 76 3HB ASN 76 6.013 -2.923 -18.439 337 1HD2 ASN 76 1HD2 ASN 76 4.439 0.121 -17.793 338 2HD2 ASN 76 2HD2 ASN 76 5.304 0.928 -19.038 339 H SER 77 H SER 77 2.182 -3.839 -18.068 340 HA SER 77 HA SER 77 1.292 -5.562 -16.981 341 1HB SER 77 2HB SER 77 2.758 -7.311 -19.006 342 2HB SER 77 3HB SER 77 1.378 -7.767 -18.011 343 HG SER 77 HG SER 77 1.497 -5.758 -20.039 344 H LEU 78 H LEU 78 4.195 -4.738 -16.484 345 HA LEU 78 HA LEU 78 4.883 -6.699 -14.373 346 1HB LEU 78 2HB LEU 78 7.241 -6.261 -14.813 347 2HB LEU 78 3HB LEU 78 6.372 -7.142 -16.061 348 HG LEU 78 HG LEU 78 6.075 -4.568 -17.020 349 1HD1 LEU 78 1HD1 LEU 78 7.352 -3.647 -15.205 350 2HD1 LEU 78 2HD1 LEU 78 8.761 -4.624 -15.669 351 3HD1 LEU 78 3HD1 LEU 78 8.126 -3.371 -16.781 352 1HD2 LEU 78 1HD2 LEU 78 7.693 -5.134 -18.652 353 2HD2 LEU 78 2HD2 LEU 78 8.387 -6.401 -17.587 354 3HD2 LEU 78 3HD2 LEU 78 6.731 -6.557 -18.227 355 H HIS 79 H HID 79 3.421 -3.899 -14.822 356 HA HIS 79 HA HID 79 4.479 -2.668 -12.394 357 1HB HIS 79 2HB HID 79 4.391 -1.365 -15.128 358 2HB HIS 79 3HB HID 79 3.961 -0.416 -13.704 359 HD1 HIS 79 1HD HID 79 6.022 -0.830 -11.623 360 HD2 HIS 79 2HD HID 79 6.865 -0.883 -15.746 361 HE1 HIS 79 1HE HID 79 8.487 -0.227 -11.871 362 H VAL 80 H VAL 80 2.819 -2.223 -11.118 363 HA VAL 80 HA VAL 80 0.096 -1.894 -12.149 364 HB VAL 80 HB VAL 80 -0.300 -3.873 -10.283 365 1HG1 VAL 80 1HG1 VAL 80 -1.403 -3.756 -12.405 366 2HG1 VAL 80 2HG1 VAL 80 0.044 -4.360 -13.251 367 3HG1 VAL 80 3HG1 VAL 80 -0.824 -5.393 -12.099 368 1HG2 VAL 80 1HG2 VAL 80 2.169 -4.779 -11.870 369 2HG2 VAL 80 2HG2 VAL 80 2.097 -4.497 -10.116 370 3HG2 VAL 80 3HG2 VAL 80 1.178 -5.798 -10.875 371 H GLN 81 H GLN 81 -1.272 -0.904 -10.622 372 HA GLN 81 HA GLN 81 -0.194 -0.511 -7.910 373 1HB GLN 81 2HB GLN 81 -0.402 1.989 -8.104 374 2HB GLN 81 3HB GLN 81 0.989 1.291 -8.949 375 1HG GLN 81 2HG GLN 81 0.181 1.702 -11.048 376 2HG GLN 81 3HG GLN 81 -1.503 1.596 -10.537 377 1HE2 GLN 81 1HE2 GLN 81 -2.538 3.404 -9.517 378 2HE2 GLN 81 2HE2 GLN 81 -1.856 5.011 -9.697 379 H PHE 82 H PHE 82 -1.688 0.418 -6.446 380 HA PHE 82 HA PHE 82 -4.530 0.383 -7.317 381 1HB PHE 82 2HB PHE 82 -5.001 -1.297 -5.541 382 2HB PHE 82 3HB PHE 82 -4.112 -1.952 -6.896 383 HD1 PHE 82 1HD PHE 82 -3.900 -0.899 -3.342 384 HD2 PHE 82 2HD PHE 82 -1.885 -2.905 -6.579 385 HE1 PHE 82 1HE PHE 82 -2.487 -2.123 -1.707 386 HE2 PHE 82 2HE PHE 82 -0.443 -4.082 -4.947 387 HZ PHE 82 HZ PHE 82 -0.837 -3.793 -2.500 388 H ALA 83 H ALA 83 -5.960 1.072 -5.665 389 HA ALA 83 HA ALA 83 -4.638 2.962 -3.764 390 1HB ALA 83 1HB ALA 83 -6.023 4.096 -5.464 391 2HB ALA 83 2HB ALA 83 -7.450 3.225 -4.869 392 3HB ALA 83 3HB ALA 83 -6.588 4.338 -3.802 393 H VAL 84 H VAL 84 -5.187 2.922 -1.659 394 HA VAL 84 HA VAL 84 -7.048 0.795 -0.670 395 HB VAL 84 HB VAL 84 -4.435 1.686 0.629 396 1HG1 VAL 84 1HG1 VAL 84 -6.304 -0.638 1.276 397 2HG1 VAL 84 2HG1 VAL 84 -4.778 -0.268 2.096 398 3HG1 VAL 84 3HG1 VAL 84 -6.141 0.844 2.234 399 1HG2 VAL 84 1HG2 VAL 84 -3.624 -0.623 0.038 400 2HG2 VAL 84 2HG2 VAL 84 -5.057 -0.818 -0.995 401 3HG2 VAL 84 3HG2 VAL 84 -3.845 0.429 -1.364 402 H HIS 85 H HID 85 -8.183 1.447 1.301 403 HA HIS 85 HA HID 85 -7.976 4.307 2.033 404 1HB HIS 85 2HB HID 85 -10.367 4.634 1.959 405 2HB HIS 85 3HB HID 85 -9.748 4.225 0.366 406 HD1 HIS 85 1HD HID 85 -12.619 3.421 2.379 407 HD2 HIS 85 2HD HID 85 -9.998 1.385 -0.197 408 HE1 HIS 85 1HE HID 85 -13.900 1.405 1.469 409 H ASP 86 H ASP 86 -9.786 4.511 3.989 410 HA ASP 86 HA ASP 86 -9.531 2.190 5.756 411 1HB ASP 86 2HB ASP 86 -7.541 3.695 6.201 412 2HB ASP 86 3HB ASP 86 -8.675 5.013 6.545 413 H SER 87 H SER 87 -10.924 2.547 7.708 414 HA SER 87 HA SER 87 -13.494 3.566 7.490 415 1HB SER 87 2HB SER 87 -11.603 3.601 9.887 416 2HB SER 87 3HB SER 87 -13.383 3.613 9.941 417 HG SER 87 HG SER 87 -12.383 1.489 10.181 418 H LEU 88 H LEU 88 -10.457 5.265 8.473 419 HA LEU 88 HA LEU 88 -11.860 7.842 8.633 420 1HB LEU 88 2HB LEU 88 -9.115 6.780 9.222 421 2HB LEU 88 3HB LEU 88 -9.269 8.517 8.988 422 HG LEU 88 HG LEU 88 -11.139 7.136 10.907 423 1HD1 LEU 88 1HD1 LEU 88 -8.299 8.075 11.514 424 2HD1 LEU 88 2HD1 LEU 88 -9.518 7.615 12.720 425 3HD1 LEU 88 3HD1 LEU 88 -8.897 6.403 11.587 426 1HD2 LEU 88 1HD2 LEU 88 -11.109 9.378 11.952 427 2HD2 LEU 88 2HD2 LEU 88 -9.869 9.922 10.807 428 3HD2 LEU 88 3HD2 LEU 88 -11.501 9.539 10.230 429 H GLY 89 H GLY 89 -11.653 6.380 5.935 430 1HA GLY 89 1HA GLY 89 -11.457 7.064 3.766 431 2HA GLY 89 2HA GLY 89 -11.524 8.731 4.369 432 H GLY 90 H GLY 90 -9.114 6.234 5.096 433 1HA GLY 90 1HA GLY 90 -6.899 8.044 4.718 434 2HA GLY 90 2HA GLY 90 -6.842 6.313 5.125 435 H GLU 91 H GLU 91 -7.829 8.301 2.309 436 HA GLU 91 HA GLU 91 -7.399 6.249 0.434 437 1HB GLU 91 2HB GLU 91 -8.790 8.408 0.246 438 2HB GLU 91 3HB GLU 91 -7.284 9.222 -0.202 439 1HG GLU 91 2HG GLU 91 -7.044 7.619 -2.114 440 2HG GLU 91 3HG GLU 91 -8.558 6.833 -1.621 441 H ILE 92 H ILE 92 -5.452 5.332 -0.087 442 HA ILE 92 HA ILE 92 -3.076 7.046 -0.484 443 HB ILE 92 HB ILE 92 -3.513 5.198 1.718 444 1HG1 ILE 92 2HG1 ILE 92 -2.577 7.421 1.860 445 2HG1 ILE 92 3HG1 ILE 92 -1.595 6.196 2.672 446 1HG2 ILE 92 1HG2 ILE 92 -1.114 4.393 0.036 447 2HG2 ILE 92 2HG2 ILE 92 -1.453 3.911 1.705 448 3HG2 ILE 92 3HG2 ILE 92 -2.545 3.411 0.412 449 1HD1 ILE 92 1HD1 ILE 92 -0.186 7.827 1.548 450 2HD1 ILE 92 2HD1 ILE 92 0.017 6.259 0.759 451 3HD1 ILE 92 3HD1 ILE 92 -0.961 7.525 -0.010 452 H LEU 93 H LEU 93 -1.438 6.020 -1.821 453 HA LEU 93 HA LEU 93 -2.636 4.041 -3.705 454 1HB LEU 93 2HB LEU 93 -1.087 6.586 -4.138 455 2HB LEU 93 3HB LEU 93 -0.826 5.260 -5.273 456 HG LEU 93 HG LEU 93 -3.617 6.296 -4.656 457 1HD1 LEU 93 1HD1 LEU 93 -1.690 7.187 -6.851 458 2HD1 LEU 93 2HD1 LEU 93 -3.405 7.633 -6.738 459 3HD1 LEU 93 3HD1 LEU 93 -2.268 8.180 -5.495 460 1HD2 LEU 93 1HD2 LEU 93 -3.480 4.070 -5.774 461 2HD2 LEU 93 2HD2 LEU 93 -4.090 5.291 -6.894 462 3HD2 LEU 93 3HD2 LEU 93 -2.405 4.746 -7.006 463 H VAL 94 H VAL 94 -1.518 2.246 -3.973 464 HA VAL 94 HA VAL 94 1.226 2.014 -2.816 465 HB VAL 94 HB VAL 94 -0.970 -0.059 -3.073 466 1HG1 VAL 94 1HG1 VAL 94 1.302 -1.027 -3.114 467 2HG1 VAL 94 2HG1 VAL 94 1.718 -0.117 -1.643 468 3HG1 VAL 94 3HG1 VAL 94 0.495 -1.406 -1.586 469 1HG2 VAL 94 1HG2 VAL 94 -0.046 1.497 -0.624 470 2HG2 VAL 94 2HG2 VAL 94 -1.657 1.554 -1.364 471 3HG2 VAL 94 3HG2 VAL 94 -1.108 0.074 -0.574 472 H THR 95 H THR 95 2.746 1.374 -4.245 473 HA THR 95 HA THR 95 1.886 0.604 -6.998 474 HB THR 95 HB THR 95 4.060 1.465 -7.732 475 HG1 THR 95 1HG THR 95 4.381 2.136 -4.989 476 1HG2 THR 95 1HG2 THR 95 3.638 3.853 -7.388 477 2HG2 THR 95 2HG2 THR 95 2.110 3.008 -7.687 478 3HG2 THR 95 3HG2 THR 95 2.542 3.508 -6.037 479 H TYR 96 H TYR 96 2.902 -1.101 -8.079 480 HA TYR 96 HA TYR 96 4.549 -2.985 -6.495 481 1HB TYR 96 2HB TYR 96 1.997 -3.275 -6.303 482 2HB TYR 96 3HB TYR 96 1.999 -3.707 -7.997 483 HD1 TYR 96 HD1 TYR 96 4.114 -5.573 -8.424 484 HD2 TYR 96 HD2 TYR 96 1.772 -5.063 -4.858 485 HE1 TYR 96 HE1 TYR 96 4.416 -7.968 -7.895 486 HE2 TYR 96 HE2 TYR 96 2.149 -7.443 -4.301 487 HH TYR 96 HH TYR 96 3.849 -9.155 -4.793 488 H ASP 97 H ASP 97 6.310 -3.484 -7.791 489 HA ASP 97 HA ASP 97 6.153 -2.906 -10.679 490 1HB ASP 97 2HB ASP 97 8.590 -2.558 -10.380 491 2HB ASP 97 3HB ASP 97 7.608 -1.491 -9.368 492 H ASP 98 H ASP 98 5.059 -5.296 -10.131 493 HA ASP 98 HA ASP 98 6.295 -6.950 -11.965 494 1HB ASP 98 2HB ASP 98 7.759 -7.508 -9.862 495 2HB ASP 98 3HB ASP 98 6.314 -8.290 -9.222 496 H LEU 99 H LEU 99 4.874 -9.219 -11.719 497 HA LEU 99 HA LEU 99 2.097 -8.294 -11.731 498 1HB LEU 99 2HB LEU 99 3.285 -11.089 -11.988 499 2HB LEU 99 3HB LEU 99 1.565 -10.713 -11.991 500 HG LEU 99 HG LEU 99 2.266 -8.962 -13.889 501 1HD1 LEU 99 1HD1 LEU 99 3.944 -9.995 -15.409 502 2HD1 LEU 99 2HD1 LEU 99 4.680 -9.508 -13.879 503 3HD1 LEU 99 3HD1 LEU 99 4.306 -11.219 -14.176 504 1HD2 LEU 99 1HD2 LEU 99 0.563 -10.695 -14.113 505 2HD2 LEU 99 2HD2 LEU 99 1.595 -10.649 -15.550 506 3HD2 LEU 99 3HD2 LEU 99 1.819 -11.934 -14.341 507 H LEU 100 H LEU 100 0.489 -8.613 -10.297 508 HA LEU 100 HA LEU 100 0.998 -9.030 -7.508 509 1HB LEU 100 2HB LEU 100 -1.438 -8.913 -9.315 510 2HB LEU 100 3HB LEU 100 -1.647 -9.379 -7.637 511 HG LEU 100 HG LEU 100 -2.150 -7.028 -8.167 512 1HD1 LEU 100 1HD1 LEU 100 0.042 -7.446 -6.108 513 2HD1 LEU 100 2HD1 LEU 100 -1.107 -6.097 -6.135 514 3HD1 LEU 100 3HD1 LEU 100 -1.694 -7.747 -5.862 515 1HD2 LEU 100 1HD2 LEU 100 0.833 -6.652 -8.495 516 2HD2 LEU 100 2HD2 LEU 100 -0.460 -6.500 -9.726 517 3HD2 LEU 100 3HD2 LEU 100 -0.385 -5.370 -8.359 518 HA PRO 101 HA PRO 101 0.349 -13.533 -7.292 519 1HB PRO 101 2HB PRO 101 -0.817 -13.847 -4.838 520 2HB PRO 101 3HB PRO 101 0.869 -13.321 -5.039 521 1HG PRO 101 2HG PRO 101 -1.529 -11.501 -4.605 522 2HG PRO 101 3HG PRO 101 -0.013 -11.525 -3.682 523 1HD PRO 101 2HD PRO 101 -0.390 -9.813 -5.738 524 2HD PRO 101 3HD PRO 101 1.202 -10.581 -5.503 525 H ASP 102 H ASP 102 -2.602 -13.071 -5.431 526 HA ASP 102 HA ASP 102 -4.273 -14.024 -7.517 527 1HB ASP 102 2HB ASP 102 -5.067 -12.645 -4.920 528 2HB ASP 102 3HB ASP 102 -6.023 -13.782 -5.878 529 H LEU 103 H LEU 103 -3.243 -12.046 -8.854 530 HA LEU 103 HA LEU 103 -3.301 -10.108 -9.884 531 1HB LEU 103 2HB LEU 103 -5.149 -9.692 -11.182 532 2HB LEU 103 3HB LEU 103 -5.128 -11.423 -10.903 533 HG LEU 103 HG LEU 103 -6.785 -10.056 -8.873 534 1HD1 LEU 103 1HD1 LEU 103 -7.544 -9.584 -11.776 535 2HD1 LEU 103 2HD1 LEU 103 -8.554 -9.250 -10.350 536 3HD1 LEU 103 3HD1 LEU 103 -7.057 -8.340 -10.600 537 1HD2 LEU 103 1HD2 LEU 103 -8.470 -11.646 -9.645 538 2HD2 LEU 103 2HD2 LEU 103 -7.487 -12.043 -11.071 539 3HD2 LEU 103 3HD2 LEU 103 -6.910 -12.468 -9.443 540 H PHE 104 H PHE 104 -4.257 -9.808 -6.818 541 HA PHE 104 HA PHE 104 -4.659 -8.123 -5.363 542 1HB PHE 104 2HB PHE 104 -3.536 -6.372 -6.685 543 2HB PHE 104 3HB PHE 104 -4.977 -6.190 -7.681 544 HD1 PHE 104 1HD PHE 104 -3.652 -5.870 -4.192 545 HD2 PHE 104 2HD PHE 104 -6.769 -4.815 -6.985 546 HE1 PHE 104 1HE PHE 104 -4.384 -4.048 -2.707 547 HE2 PHE 104 2HE PHE 104 -7.405 -2.899 -5.544 548 HZ PHE 104 HZ PHE 104 -6.087 -2.431 -3.481 549 H ARG 105 H ARG 105 -6.425 -9.322 -4.796 550 HA ARG 105 HA ARG 105 -8.954 -9.249 -6.284 551 1HB ARG 105 2HB ARG 105 -8.098 -10.211 -3.527 552 2HB ARG 105 3HB ARG 105 -9.782 -10.241 -4.078 553 1HG ARG 105 2HG ARG 105 -9.393 -11.851 -5.729 554 2HG ARG 105 3HG ARG 105 -7.628 -11.681 -5.624 555 1HD ARG 105 2HD ARG 105 -7.560 -12.523 -3.402 556 2HD ARG 105 3HD ARG 105 -9.325 -12.550 -3.233 557 HE ARG 105 HE ARG 105 -9.054 -14.184 -5.333 558 1HH1 ARG 105 2HH2 ARG 105 -7.400 -14.237 -2.179 559 2HH1 ARG 105 1HH2 ARG 105 -6.402 -15.603 -2.634 560 1HH2 ARG 105 1HH1 ARG 105 -8.083 -16.288 -5.637 561 2HH2 ARG 105 2HH1 ARG 105 -6.588 -16.424 -4.761 562 H GLU 106 H GLU 106 -10.243 -7.456 -6.218 563 HA GLU 106 HA GLU 106 -9.771 -5.424 -4.263 564 1HB GLU 106 2HB GLU 106 -11.943 -5.488 -6.383 565 2HB GLU 106 3HB GLU 106 -11.185 -4.100 -5.574 566 1HG GLU 106 2HG GLU 106 -10.024 -4.022 -7.521 567 2HG GLU 106 3HG GLU 106 -8.955 -5.076 -6.598 568 H GLY 107 H GLY 107 -11.811 -4.268 -3.301 569 1HA GLY 107 1HA GLY 107 -13.607 -4.252 -1.892 570 2HA GLY 107 2HA GLY 107 -14.227 -5.629 -2.816 571 H GLN 108 H GLN 108 -11.270 -5.426 -0.786 572 HA GLN 108 HA GLN 108 -12.414 -6.865 1.436 573 1HB GLN 108 2HB GLN 108 -10.906 -8.838 1.250 574 2HB GLN 108 3HB GLN 108 -12.100 -8.752 -0.044 575 1HG GLN 108 2HG GLN 108 -10.323 -7.732 -1.541 576 2HG GLN 108 3HG GLN 108 -9.156 -7.953 -0.231 577 1HE2 GLN 108 1HE2 GLN 108 -11.714 -9.834 -1.918 578 2HE2 GLN 108 2HE2 GLN 108 -10.769 -11.307 -2.051 579 H GLY 109 H GLY 109 -10.377 -7.497 2.923 580 1HA GLY 109 1HA GLY 109 -8.565 -5.130 2.968 581 2HA GLY 109 2HA GLY 109 -8.941 -6.162 4.331 582 H ILE 110 H ILE 110 -6.457 -5.352 2.620 583 HA ILE 110 HA ILE 110 -5.183 -7.998 2.714 584 HB ILE 110 HB ILE 110 -4.094 -7.830 0.585 585 1HG1 ILE 110 2HG1 ILE 110 -5.316 -5.906 -0.975 586 2HG1 ILE 110 3HG1 ILE 110 -5.090 -5.039 0.549 587 1HG2 ILE 110 1HG2 ILE 110 -7.028 -7.295 0.042 588 2HG2 ILE 110 2HG2 ILE 110 -5.898 -8.238 -0.943 589 3HG2 ILE 110 3HG2 ILE 110 -6.407 -8.848 0.640 590 1HD1 ILE 110 1HD1 ILE 110 -2.979 -6.507 -1.105 591 2HD1 ILE 110 2HD1 ILE 110 -3.154 -4.747 -0.884 592 3HD1 ILE 110 3HD1 ILE 110 -2.658 -5.761 0.480 593 H VAL 111 H VAL 111 -2.752 -7.698 2.756 594 HA VAL 111 HA VAL 111 -2.032 -4.982 3.777 595 HB VAL 111 HB VAL 111 -0.698 -5.943 5.507 596 1HG1 VAL 111 1HG1 VAL 111 -2.430 -6.707 7.019 597 2HG1 VAL 111 2HG1 VAL 111 -3.137 -5.481 5.956 598 3HG1 VAL 111 3HG1 VAL 111 -3.477 -7.194 5.673 599 1HG2 VAL 111 1HG2 VAL 111 -1.726 -8.658 4.579 600 2HG2 VAL 111 2HG2 VAL 111 -0.038 -8.104 4.560 601 3HG2 VAL 111 3HG2 VAL 111 -0.874 -8.369 6.099 602 H ALA 112 H ALA 112 -0.158 -4.164 3.044 603 HA ALA 112 HA ALA 112 1.303 -5.759 0.979 604 1HB ALA 112 1HB ALA 112 0.593 -2.817 0.861 605 2HB ALA 112 2HB ALA 112 1.307 -3.821 -0.411 606 3HB ALA 112 3HB ALA 112 -0.369 -4.095 0.102 607 H GLN 113 H GLN 113 3.358 -6.035 1.508 608 HA GLN 113 HA GLN 113 4.743 -4.100 3.286 609 1HB GLN 113 2HB GLN 113 4.544 -6.278 4.207 610 2HB GLN 113 3HB GLN 113 5.115 -7.058 2.768 611 1HG GLN 113 2HG GLN 113 7.017 -5.051 3.999 612 2HG GLN 113 3HG GLN 113 6.688 -6.490 4.943 613 1HE2 GLN 113 1HE2 GLN 113 6.610 -8.604 3.598 614 2HE2 GLN 113 2HE2 GLN 113 7.970 -8.879 2.559 615 H GLY 114 H GLY 114 6.599 -3.176 2.758 616 1HA GLY 114 1HA GLY 114 8.556 -3.961 1.070 617 2HA GLY 114 2HA GLY 114 7.523 -3.012 0.002 618 H VAL 115 H VAL 115 8.299 -0.903 -0.082 619 HA VAL 115 HA VAL 115 9.368 0.318 2.401 620 HB VAL 115 HB VAL 115 11.216 -0.724 1.203 621 1HG1 VAL 115 1HG1 VAL 115 10.535 1.099 -1.145 622 2HG1 VAL 115 2HG1 VAL 115 11.942 0.029 -1.012 623 3HG1 VAL 115 3HG1 VAL 115 10.321 -0.667 -1.118 624 1HG2 VAL 115 1HG2 VAL 115 12.726 1.176 0.971 625 2HG2 VAL 115 2HG2 VAL 115 11.354 2.290 1.048 626 3HG2 VAL 115 3HG2 VAL 115 11.755 1.258 2.438 627 H LEU 116 H LEU 116 9.209 2.533 2.536 628 HA LEU 116 HA LEU 116 7.190 3.872 0.950 629 1HB LEU 116 2HB LEU 116 9.447 4.822 2.778 630 2HB LEU 116 3HB LEU 116 8.482 5.978 1.854 631 HG LEU 116 HG LEU 116 7.691 5.891 4.093 632 1HD1 LEU 116 1HD1 LEU 116 5.349 5.503 3.719 633 2HD1 LEU 116 2HD1 LEU 116 6.069 6.194 2.234 634 3HD1 LEU 116 3HD1 LEU 116 5.668 4.480 2.319 635 1HD2 LEU 116 1HD2 LEU 116 6.630 3.934 5.098 636 2HD2 LEU 116 2HD2 LEU 116 7.116 2.928 3.720 637 3HD2 LEU 116 3HD2 LEU 116 8.345 3.650 4.795 638 H GLY 117 H GLY 117 7.325 5.013 -1.014 639 1HA GLY 117 1HA GLY 117 9.709 4.143 -2.543 640 2HA GLY 117 2HA GLY 117 8.146 4.677 -3.162 641 H GLU 118 H GLU 118 7.867 6.748 -3.708 642 HA GLU 118 HA GLU 118 10.003 8.619 -4.073 643 1HB GLU 118 2HB GLU 118 8.018 8.579 -5.484 644 2HB GLU 118 3HB GLU 118 6.967 8.694 -4.081 645 1HG GLU 118 2HG GLU 118 7.886 11.077 -3.735 646 2HG GLU 118 3HG GLU 118 8.661 10.894 -5.318 647 H ASP 119 H ASP 119 7.118 8.937 -2.061 648 HA ASP 119 HA ASP 119 8.442 9.112 0.408 649 1HB ASP 119 2HB ASP 119 9.018 11.434 -0.388 650 2HB ASP 119 3HB ASP 119 7.308 11.821 -0.526 651 H GLY 120 H GLY 120 5.645 10.814 -0.940 652 1HA GLY 120 1HA GLY 120 3.671 9.937 0.862 653 2HA GLY 120 2HA GLY 120 3.378 10.537 -0.769 654 H LYS 121 H LYS 121 4.672 8.560 -2.288 655 HA LYS 121 HA LYS 121 2.563 6.502 -2.186 656 1HB LYS 121 2HB LYS 121 4.373 7.650 -4.274 657 2HB LYS 121 3HB LYS 121 4.133 5.908 -4.364 658 1HG LYS 121 2HG LYS 121 2.456 6.869 -5.735 659 2HG LYS 121 3HG LYS 121 1.707 6.174 -4.311 660 1HD LYS 121 2HD LYS 121 0.533 8.104 -4.543 661 2HD LYS 121 3HD LYS 121 1.689 8.608 -3.326 662 1HE LYS 121 2HE LYS 121 2.196 9.091 -6.318 663 2HE LYS 121 3HE LYS 121 1.036 10.094 -5.444 664 1HZ LYS 121 1HZ LYS 121 2.803 10.736 -3.923 665 2HZ LYS 121 2HZ LYS 121 3.911 9.892 -4.788 666 3HZ LYS 121 3HZ LYS 121 3.176 11.121 -5.471 667 H LEU 122 H LEU 122 2.929 4.249 -2.140 668 HA LEU 122 HA LEU 122 5.409 3.495 -0.645 669 1HB LEU 122 2HB LEU 122 2.649 2.222 -0.693 670 2HB LEU 122 3HB LEU 122 4.047 1.660 0.219 671 HG LEU 122 HG LEU 122 3.726 4.434 0.885 672 1HD1 LEU 122 1HD1 LEU 122 1.459 4.290 -0.030 673 2HD1 LEU 122 2HD1 LEU 122 1.090 2.946 1.078 674 3HD1 LEU 122 3HD1 LEU 122 1.465 4.558 1.723 675 1HD2 LEU 122 1HD2 LEU 122 3.352 3.569 3.130 676 2HD2 LEU 122 2HD2 LEU 122 2.910 1.969 2.492 677 3HD2 LEU 122 3HD2 LEU 122 4.576 2.552 2.346 678 H ALA 123 H ALA 123 6.631 1.761 -1.443 679 HA ALA 123 HA ALA 123 5.720 0.471 -4.002 680 1HB ALA 123 1HB ALA 123 8.100 -0.058 -4.315 681 2HB ALA 123 2HB ALA 123 7.829 1.693 -4.223 682 3HB ALA 123 3HB ALA 123 8.509 0.826 -2.828 683 H ALA 124 H ALA 124 4.596 -1.349 -3.363 684 HA ALA 124 HA ALA 124 5.710 -2.953 -1.086 685 1HB ALA 124 1HB ALA 124 3.937 -1.447 -0.283 686 2HB ALA 124 2HB ALA 124 2.819 -2.211 -1.439 687 3HB ALA 124 3HB ALA 124 3.548 -3.171 -0.136 688 H THR 125 H THR 125 6.568 -4.484 -2.480 689 HA THR 125 HA THR 125 4.871 -5.761 -4.459 690 HB THR 125 HB THR 125 7.238 -5.331 -4.892 691 HG1 THR 125 1HG THR 125 6.237 -7.970 -4.917 692 1HG2 THR 125 1HG2 THR 125 8.181 -5.829 -2.614 693 2HG2 THR 125 2HG2 THR 125 7.811 -7.548 -2.862 694 3HG2 THR 125 3HG2 THR 125 8.975 -6.731 -3.914 695 H GLU 126 H GLU 126 5.462 -6.356 -1.052 696 HA GLU 126 HA GLU 126 4.766 -9.265 -1.343 697 1HB GLU 126 2HB GLU 126 5.959 -7.572 0.848 698 2HB GLU 126 3HB GLU 126 5.322 -9.201 1.128 699 1HG GLU 126 2HG GLU 126 7.051 -9.356 -1.169 700 2HG GLU 126 3HG GLU 126 7.890 -8.395 0.055 701 H VAL 127 H VAL 127 2.575 -8.825 -2.000 702 HA VAL 127 HA VAL 127 0.829 -7.642 0.080 703 HB VAL 127 HB VAL 127 -0.953 -7.686 -1.506 704 1HG1 VAL 127 1HG1 VAL 127 1.613 -6.358 -2.454 705 2HG1 VAL 127 2HG1 VAL 127 0.002 -6.033 -3.134 706 3HG1 VAL 127 3HG1 VAL 127 0.333 -5.715 -1.429 707 1HG2 VAL 127 1HG2 VAL 127 -0.429 -8.172 -3.926 708 2HG2 VAL 127 2HG2 VAL 127 0.972 -9.108 -3.354 709 3HG2 VAL 127 3HG2 VAL 127 -0.680 -9.540 -2.854 710 H LEU 128 H LEU 128 -0.181 -8.848 1.513 711 HA LEU 128 HA LEU 128 -0.647 -11.755 0.954 712 1HB LEU 128 2HB LEU 128 -0.390 -10.427 3.677 713 2HB LEU 128 3HB LEU 128 -0.662 -12.126 3.309 714 HG LEU 128 HG LEU 128 1.532 -12.010 3.995 715 1HD1 LEU 128 1HD1 LEU 128 1.807 -11.947 0.967 716 2HD1 LEU 128 2HD1 LEU 128 2.884 -12.725 2.133 717 3HD1 LEU 128 3HD1 LEU 128 1.234 -13.340 1.911 718 1HD2 LEU 128 1HD2 LEU 128 3.247 -10.485 3.281 719 2HD2 LEU 128 2HD2 LEU 128 2.163 -9.702 2.130 720 3HD2 LEU 128 3HD2 LEU 128 1.854 -9.561 3.871 721 H ALA 129 H ALA 129 -2.753 -12.164 0.625 722 HA ALA 129 HA ALA 129 -4.839 -10.277 1.586 723 1HB ALA 129 1HB ALA 129 -4.881 -11.016 -0.796 724 2HB ALA 129 2HB ALA 129 -5.047 -12.700 -0.249 725 3HB ALA 129 3HB ALA 129 -6.316 -11.513 0.107 726 H LYS 130 H LYS 130 -5.931 -10.801 3.447 727 HA LYS 130 HA LYS 130 -6.236 -13.634 4.215 728 1HB LYS 130 2HB LYS 130 -5.745 -13.118 6.572 729 2HB LYS 130 3HB LYS 130 -4.359 -13.214 5.496 730 1HG LYS 130 2HG LYS 130 -5.495 -10.457 5.980 731 2HG LYS 130 3HG LYS 130 -4.760 -11.246 7.364 732 1HD LYS 130 2HD LYS 130 -3.403 -10.806 4.671 733 2HD LYS 130 3HD LYS 130 -3.199 -9.792 6.100 734 1HE LYS 130 2HE LYS 130 -2.751 -12.577 6.856 735 2HE LYS 130 3HE LYS 130 -1.835 -12.246 5.387 736 1HZ LYS 130 1HZ LYS 130 -0.801 -10.406 6.556 737 2HZ LYS 130 2HZ LYS 130 -1.716 -10.690 7.898 738 3HZ LYS 130 3HZ LYS 130 -0.605 -11.797 7.410 739 H HIS 131 H HID 131 -8.299 -13.488 3.579 740 HA HIS 131 HA HID 131 -10.143 -11.675 5.080 741 1HB HIS 131 2HB HID 131 -11.276 -11.261 2.918 742 2HB HIS 131 3HB HID 131 -9.630 -10.630 2.964 743 HD1 HIS 131 1HD HID 131 -11.772 -13.014 1.020 744 HD2 HIS 131 2HD HID 131 -7.700 -12.247 1.662 745 HE1 HIS 131 1HE HID 131 -10.504 -14.196 -0.867 746 H ASP 132 H ASP 132 -9.915 -14.048 6.170 747 HA ASP 132 HA ASP 132 -11.622 -16.056 4.953 748 1HB ASP 132 2HB ASP 132 -11.173 -17.235 7.087 749 2HB ASP 132 3HB ASP 132 -9.718 -16.786 6.191 Start of MODEL 17 1 H SER 32 H SER 32 15.087 0.794 15.201 2 HA SER 32 HA SER 32 13.990 -0.518 17.259 3 1HB SER 32 2HB SER 32 12.453 1.520 15.596 4 2HB SER 32 3HB SER 32 12.400 1.290 17.355 5 HG SER 32 HG SER 32 14.643 1.920 17.364 6 H ASN 33 H ASN 33 12.661 -0.512 13.967 7 HA ASN 33 HA ASN 33 11.426 -3.082 14.449 8 1HB ASN 33 2HB ASN 33 9.332 -2.488 13.272 9 2HB ASN 33 3HB ASN 33 9.457 -1.635 14.814 10 1HD2 ASN 33 1HD2 ASN 33 9.691 0.667 14.803 11 2HD2 ASN 33 2HD2 ASN 33 9.534 1.599 13.322 12 H LEU 34 H LEU 34 11.460 -4.230 12.448 13 HA LEU 34 HA LEU 34 13.051 -2.920 10.288 14 1HB LEU 34 2HB LEU 34 13.359 -5.396 11.645 15 2HB LEU 34 3HB LEU 34 12.803 -5.814 10.026 16 HG LEU 34 HG LEU 34 15.154 -3.967 10.645 17 1HD1 LEU 34 1HD1 LEU 34 15.581 -6.281 11.391 18 2HD1 LEU 34 2HD1 LEU 34 15.145 -6.889 9.779 19 3HD1 LEU 34 3HD1 LEU 34 16.578 -5.860 9.990 20 1HD2 LEU 34 1HD2 LEU 34 15.745 -4.324 8.260 21 2HD2 LEU 34 2HD2 LEU 34 14.252 -5.256 8.023 22 3HD2 LEU 34 3HD2 LEU 34 14.178 -3.522 8.404 23 H ASN 35 H ASN 35 10.040 -4.697 10.988 24 HA ASN 35 HA ASN 35 8.786 -3.578 8.625 25 1HB ASN 35 2HB ASN 35 8.735 -6.609 9.066 26 2HB ASN 35 3HB ASN 35 7.943 -5.685 7.789 27 1HD2 ASN 35 1HD2 ASN 35 11.064 -6.924 8.964 28 2HD2 ASN 35 2HD2 ASN 35 11.876 -6.811 7.417 29 H LEU 36 H LEU 36 6.459 -3.405 9.165 30 HA LEU 36 HA LEU 36 5.301 -5.151 11.089 31 1HB LEU 36 2HB LEU 36 4.747 -3.715 12.856 32 2HB LEU 36 3HB LEU 36 6.486 -3.563 12.667 33 HG LEU 36 HG LEU 36 4.380 -1.560 11.696 34 1HD1 LEU 36 1HD1 LEU 36 4.591 -1.672 14.136 35 2HD1 LEU 36 2HD1 LEU 36 6.352 -1.457 14.011 36 3HD1 LEU 36 3HD1 LEU 36 5.253 -0.153 13.509 37 1HD2 LEU 36 1HD2 LEU 36 6.423 -0.062 11.414 38 2HD2 LEU 36 2HD2 LEU 36 7.415 -1.528 11.563 39 3HD2 LEU 36 3HD2 LEU 36 6.277 -1.346 10.213 40 H PHE 37 H PHE 37 2.993 -4.729 11.392 41 HA PHE 37 HA PHE 37 1.776 -3.650 8.947 42 1HB PHE 37 2HB PHE 37 0.630 -5.224 11.263 43 2HB PHE 37 3HB PHE 37 -0.305 -4.627 9.903 44 HD1 PHE 37 1HD PHE 37 0.339 -5.330 7.520 45 HD2 PHE 37 2HD PHE 37 1.665 -7.411 11.056 46 HE1 PHE 37 1HE PHE 37 0.958 -7.296 6.140 47 HE2 PHE 37 2HE PHE 37 2.050 -9.448 9.707 48 HZ PHE 37 HZ PHE 37 1.692 -9.397 7.228 49 H TYR 38 H TYR 38 0.584 -1.873 8.767 50 HA TYR 38 HA TYR 38 -0.014 -0.246 11.165 51 1HB TYR 38 2HB TYR 38 2.245 0.052 9.511 52 2HB TYR 38 3HB TYR 38 1.106 1.185 8.815 53 HD1 TYR 38 HD1 TYR 38 2.683 0.098 12.038 54 HD2 TYR 38 HD2 TYR 38 0.732 3.294 9.912 55 HE1 TYR 38 HE1 TYR 38 3.372 1.678 13.802 56 HE2 TYR 38 HE2 TYR 38 1.458 4.882 11.654 57 HH TYR 38 HH TYR 38 3.231 3.887 14.549 58 H THR 39 H THR 39 -1.726 1.243 10.894 59 HA THR 39 HA THR 39 -3.689 0.512 9.023 60 HB THR 39 HB THR 39 -3.499 2.819 11.009 61 HG1 THR 39 1HG THR 39 -4.482 1.277 12.385 62 1HG2 THR 39 1HG2 THR 39 -5.431 3.077 9.534 63 2HG2 THR 39 2HG2 THR 39 -5.912 1.389 9.817 64 3HG2 THR 39 3HG2 THR 39 -5.960 2.575 11.142 65 HA PRO 40 HA PRO 40 -2.504 3.437 5.789 66 1HB PRO 40 2HB PRO 40 -5.031 3.801 4.631 67 2HB PRO 40 3HB PRO 40 -3.818 2.571 4.208 68 1HG PRO 40 2HG PRO 40 -6.224 2.309 5.977 69 2HG PRO 40 3HG PRO 40 -5.542 1.125 4.835 70 1HD PRO 40 2HD PRO 40 -5.184 0.966 7.514 71 2HD PRO 40 3HD PRO 40 -3.862 0.506 6.394 72 H SER 41 H SER 41 -5.485 4.168 7.729 73 HA SER 41 HA SER 41 -5.607 6.900 7.355 74 1HB SER 41 2HB SER 41 -6.141 5.579 10.032 75 2HB SER 41 3HB SER 41 -7.045 6.874 9.218 76 HG SER 41 HG SER 41 -7.611 5.296 7.619 77 H GLU 42 H GLU 42 -3.153 5.183 9.259 78 HA GLU 42 HA GLU 42 -2.436 7.552 10.813 79 1HB GLU 42 2HB GLU 42 -1.511 4.770 10.602 80 2HB GLU 42 3HB GLU 42 -0.160 5.884 10.423 81 1HG GLU 42 2HG GLU 42 -0.423 5.369 12.780 82 2HG GLU 42 3HG GLU 42 -0.880 7.059 12.524 83 H ILE 43 H ILE 43 -1.183 5.871 7.926 84 HA ILE 43 HA ILE 43 0.926 7.755 7.553 85 HB ILE 43 HB ILE 43 1.477 6.441 5.553 86 1HG1 ILE 43 2HG1 ILE 43 -0.745 4.577 6.386 87 2HG1 ILE 43 3HG1 ILE 43 -0.889 5.715 5.027 88 1HG2 ILE 43 1HG2 ILE 43 0.989 4.789 8.061 89 2HG2 ILE 43 2HG2 ILE 43 2.269 4.558 6.852 90 3HG2 ILE 43 3HG2 ILE 43 2.291 5.980 7.893 91 1HD1 ILE 43 1HD1 ILE 43 1.118 3.431 5.271 92 2HD1 ILE 43 2HD1 ILE 43 -0.255 3.550 4.164 93 3HD1 ILE 43 3HD1 ILE 43 1.119 4.652 3.976 94 H VAL 44 H VAL 44 -1.947 8.759 7.191 95 HA VAL 44 HA VAL 44 -1.464 10.357 4.720 96 HB VAL 44 HB VAL 44 -3.928 10.846 4.885 97 1HG1 VAL 44 1HG1 VAL 44 -3.030 9.251 3.232 98 2HG1 VAL 44 2HG1 VAL 44 -3.154 7.935 4.420 99 3HG1 VAL 44 3HG1 VAL 44 -4.619 8.746 3.832 100 1HG2 VAL 44 1HG2 VAL 44 -5.385 9.434 6.136 101 2HG2 VAL 44 2HG2 VAL 44 -4.033 8.410 6.653 102 3HG2 VAL 44 3HG2 VAL 44 -4.184 10.067 7.275 103 H ASN 45 H ASN 45 -1.622 10.474 8.250 104 HA ASN 45 HA ASN 45 -1.935 13.482 8.121 105 1HB ASN 45 2HB ASN 45 -2.934 11.505 10.190 106 2HB ASN 45 3HB ASN 45 -2.915 13.259 10.389 107 1HD2 ASN 45 1HD2 ASN 45 -4.950 10.742 9.557 108 2HD2 ASN 45 2HD2 ASN 45 -6.118 11.696 8.658 109 H GLY 46 H GLY 46 0.255 14.045 8.215 110 1HA GLY 46 1HA GLY 46 2.240 14.546 9.312 111 2HA GLY 46 2HA GLY 46 1.365 14.261 10.830 112 H LYS 47 H LYS 47 2.200 12.142 8.105 113 HA LYS 47 HA LYS 47 3.979 10.391 9.608 114 1HB LYS 47 2HB LYS 47 1.223 9.629 8.624 115 2HB LYS 47 3HB LYS 47 2.469 8.428 9.001 116 1HG LYS 47 2HG LYS 47 1.283 10.338 11.043 117 2HG LYS 47 3HG LYS 47 0.720 8.718 10.749 118 1HD LYS 47 2HD LYS 47 3.474 9.477 11.787 119 2HD LYS 47 3HD LYS 47 2.118 8.780 12.686 120 1HE LYS 47 2HE LYS 47 2.233 6.839 10.904 121 2HE LYS 47 3HE LYS 47 3.853 7.454 10.569 122 1HZ LYS 47 1HZ LYS 47 3.975 5.729 12.169 123 2HZ LYS 47 2HZ LYS 47 4.330 7.127 12.960 124 3HZ LYS 47 3HZ LYS 47 2.870 6.376 13.140 125 H THR 48 H THR 48 3.701 8.338 7.481 126 HA THR 48 HA THR 48 5.611 9.077 5.847 127 HB THR 48 HB THR 48 3.374 7.239 4.992 128 HG1 THR 48 1HG THR 48 5.435 6.560 6.795 129 1HG2 THR 48 1HG2 THR 48 6.409 7.087 4.762 130 2HG2 THR 48 2HG2 THR 48 5.249 5.816 4.298 131 3HG2 THR 48 3HG2 THR 48 5.244 7.386 3.452 132 H ASP 49 H ASP 49 2.123 9.488 4.792 133 HA ASP 49 HA ASP 49 2.417 10.493 2.263 134 1HB ASP 49 2HB ASP 49 0.258 10.467 3.183 135 2HB ASP 49 3HB ASP 49 0.738 11.380 4.630 136 H THR 50 H THR 50 2.672 12.441 5.203 137 HA THR 50 HA THR 50 3.679 14.748 3.809 138 HB THR 50 HB THR 50 3.504 14.381 6.801 139 HG1 THR 50 1HG THR 50 1.367 14.224 4.990 140 1HG2 THR 50 1HG2 THR 50 2.652 16.691 6.726 141 2HG2 THR 50 2HG2 THR 50 4.198 16.593 5.858 142 3HG2 THR 50 3HG2 THR 50 2.674 16.665 4.950 143 H GLY 51 H GLY 51 5.032 12.090 5.600 144 1HA GLY 51 1HA GLY 51 7.150 11.370 5.945 145 2HA GLY 51 2HA GLY 51 7.711 12.607 4.812 146 H VAL 52 H VAL 52 5.955 13.243 7.869 147 HA VAL 52 HA VAL 52 8.109 15.096 8.635 148 HB VAL 52 HB VAL 52 6.702 15.759 10.476 149 1HG1 VAL 52 1HG1 VAL 52 5.091 15.468 7.917 150 2HG1 VAL 52 2HG1 VAL 52 4.824 16.658 9.203 151 3HG1 VAL 52 3HG1 VAL 52 6.306 16.717 8.229 152 1HG2 VAL 52 1HG2 VAL 52 5.704 13.647 11.176 153 2HG2 VAL 52 2HG2 VAL 52 4.424 14.789 10.760 154 3HG2 VAL 52 3HG2 VAL 52 4.862 13.496 9.622 155 H LYS 53 H LYS 53 7.167 11.882 9.519 156 HA LYS 53 HA LYS 53 9.375 11.773 11.492 157 1HB LYS 53 2HB LYS 53 6.530 10.833 11.769 158 2HB LYS 53 3HB LYS 53 7.806 9.810 12.459 159 1HG LYS 53 2HG LYS 53 7.501 12.780 13.019 160 2HG LYS 53 3HG LYS 53 6.828 11.499 14.037 161 1HD LYS 53 2HD LYS 53 8.836 11.109 15.053 162 2HD LYS 53 3HD LYS 53 9.590 10.811 13.506 163 1HE LYS 53 2HE LYS 53 10.879 12.535 14.250 164 2HE LYS 53 3HE LYS 53 9.750 13.395 13.219 165 1HZ LYS 53 1HZ LYS 53 10.040 14.489 15.325 166 2HZ LYS 53 2HZ LYS 53 8.484 13.968 15.197 167 3HZ LYS 53 3HZ LYS 53 9.554 13.158 16.156 168 HA PRO 54 HA PRO 54 9.812 7.784 9.318 169 1HB PRO 54 2HB PRO 54 7.945 6.530 7.770 170 2HB PRO 54 3HB PRO 54 7.939 6.441 9.557 171 1HG PRO 54 2HG PRO 54 6.360 8.331 7.800 172 2HG PRO 54 3HG PRO 54 5.734 7.311 9.123 173 1HD PRO 54 2HD PRO 54 6.373 9.952 9.460 174 2HD PRO 54 3HD PRO 54 6.674 8.736 10.743 175 H GLU 55 H GLU 55 11.323 8.457 7.802 176 HA GLU 55 HA GLU 55 10.612 9.995 5.436 177 1HB GLU 55 2HB GLU 55 13.201 8.602 6.277 178 2HB GLU 55 3HB GLU 55 13.019 9.710 4.914 179 1HG GLU 55 2HG GLU 55 12.337 11.526 6.463 180 2HG GLU 55 3HG GLU 55 12.572 10.443 7.845 181 H ALA 56 H ALA 56 11.341 9.115 3.262 182 HA ALA 56 HA ALA 56 10.065 6.580 2.794 183 1HB ALA 56 1HB ALA 56 11.712 8.323 0.908 184 2HB ALA 56 2HB ALA 56 10.673 6.973 0.400 185 3HB ALA 56 3HB ALA 56 9.954 8.414 1.134 186 H GLY 57 H GLY 57 11.314 4.821 1.392 187 1HA GLY 57 1HA GLY 57 13.191 3.505 1.058 188 2HA GLY 57 2HA GLY 57 14.182 4.613 1.999 189 H GLN 58 H GLN 58 11.336 3.862 3.699 190 HA GLN 58 HA GLN 58 12.711 1.812 5.383 191 1HB GLN 58 2HB GLN 58 10.445 3.758 5.962 192 2HB GLN 58 3HB GLN 58 11.010 2.496 7.067 193 1HG GLN 58 2HG GLN 58 13.292 3.507 7.057 194 2HG GLN 58 3HG GLN 58 12.682 4.841 6.055 195 1HE2 GLN 58 1HE2 GLN 58 10.715 6.025 6.942 196 2HE2 GLN 58 2HE2 GLN 58 10.548 6.084 8.708 197 H ARG 59 H ARG 59 11.493 -0.005 6.013 198 HA ARG 59 HA ARG 59 9.386 -0.802 4.098 199 1HB ARG 59 2HB ARG 59 10.849 -2.406 6.226 200 2HB ARG 59 3HB ARG 59 9.654 -3.025 5.076 201 1HG ARG 59 2HG ARG 59 11.185 -2.294 3.197 202 2HG ARG 59 3HG ARG 59 12.413 -1.904 4.429 203 1HD ARG 59 2HD ARG 59 12.190 -4.258 5.295 204 2HD ARG 59 3HD ARG 59 11.061 -4.597 3.957 205 HE ARG 59 HE ARG 59 13.476 -3.531 2.888 206 1HH1 ARG 59 2HH2 ARG 59 12.177 -6.421 4.383 207 2HH1 ARG 59 1HH2 ARG 59 13.369 -7.520 3.750 208 1HH2 ARG 59 1HH1 ARG 59 15.096 -4.937 1.984 209 2HH2 ARG 59 2HH1 ARG 59 15.075 -6.635 2.328 210 H ILE 60 H ILE 60 7.300 -0.901 4.679 211 HA ILE 60 HA ILE 60 6.561 -1.422 7.434 212 HB ILE 60 HB ILE 60 4.842 0.324 7.554 213 1HG1 ILE 60 2HG1 ILE 60 6.232 1.757 5.262 214 2HG1 ILE 60 3HG1 ILE 60 4.771 0.789 5.033 215 1HG2 ILE 60 1HG2 ILE 60 7.070 0.625 8.664 216 2HG2 ILE 60 2HG2 ILE 60 7.595 1.610 7.282 217 3HG2 ILE 60 3HG2 ILE 60 6.255 2.144 8.305 218 1HD1 ILE 60 1HD1 ILE 60 4.135 3.108 5.274 219 2HD1 ILE 60 2HD1 ILE 60 3.553 2.190 6.671 220 3HD1 ILE 60 3HD1 ILE 60 4.978 3.245 6.820 221 H ARG 61 H ARG 61 4.150 -2.047 7.433 222 HA ARG 61 HA ARG 61 3.354 -2.965 4.713 223 1HB ARG 61 2HB ARG 61 2.522 -4.398 7.206 224 2HB ARG 61 3HB ARG 61 2.569 -4.962 5.544 225 1HG ARG 61 2HG ARG 61 5.073 -4.827 5.719 226 2HG ARG 61 3HG ARG 61 4.942 -4.451 7.423 227 1HD ARG 61 2HD ARG 61 3.797 -6.499 7.936 228 2HD ARG 61 3HD ARG 61 3.733 -6.960 6.217 229 HE ARG 61 HE ARG 61 6.427 -6.536 6.803 230 1HH1 ARG 61 2HH2 ARG 61 3.915 -8.683 7.941 231 2HH1 ARG 61 1HH2 ARG 61 4.903 -10.118 7.999 232 1HH2 ARG 61 1HH1 ARG 61 7.801 -8.408 6.794 233 2HH2 ARG 61 2HH1 ARG 61 7.206 -9.919 7.392 234 H VAL 62 H VAL 62 1.557 -1.960 4.017 235 HA VAL 62 HA VAL 62 -0.090 -0.490 6.023 236 HB VAL 62 HB VAL 62 0.590 0.831 4.162 237 1HG1 VAL 62 1HG1 VAL 62 0.809 -0.881 2.372 238 2HG1 VAL 62 2HG1 VAL 62 -0.969 -1.016 2.317 239 3HG1 VAL 62 3HG1 VAL 62 -0.175 0.507 1.895 240 1HG2 VAL 62 1HG2 VAL 62 -1.616 1.675 3.512 241 2HG2 VAL 62 2HG2 VAL 62 -2.386 0.176 4.056 242 3HG2 VAL 62 3HG2 VAL 62 -1.585 1.241 5.232 243 H GLY 63 H GLY 63 -1.872 -1.480 6.827 244 1HA GLY 63 1HA GLY 63 -3.089 -3.755 5.284 245 2HA GLY 63 2HA GLY 63 -2.798 -3.796 7.026 246 H GLY 64 H GLY 64 -5.171 -3.327 4.720 247 1HA GLY 64 1HA GLY 64 -7.079 -2.190 6.486 248 2HA GLY 64 2HA GLY 64 -6.444 -0.919 5.421 249 H MET 65 H MET 65 -8.473 -0.734 4.311 250 HA MET 65 HA MET 65 -9.421 -3.184 2.916 251 1HB MET 65 2HB MET 65 -11.636 -2.088 2.841 252 2HB MET 65 3HB MET 65 -11.037 -2.578 4.430 253 1HG MET 65 2HG MET 65 -10.367 -0.238 4.894 254 2HG MET 65 3HG MET 65 -10.986 0.254 3.313 255 1HE MET 65 1HE MET 65 -13.489 -1.135 6.942 256 2HE MET 65 2HE MET 65 -12.542 -2.279 5.977 257 3HE MET 65 3HE MET 65 -11.715 -1.001 6.903 258 H VAL 66 H VAL 66 -9.555 -3.244 0.792 259 HA VAL 66 HA VAL 66 -8.202 -1.083 -0.639 260 HB VAL 66 HB VAL 66 -8.125 -2.614 -2.466 261 1HG1 VAL 66 1HG1 VAL 66 -7.625 -4.115 0.174 262 2HG1 VAL 66 2HG1 VAL 66 -6.990 -4.562 -1.400 263 3HG1 VAL 66 3HG1 VAL 66 -6.473 -3.039 -0.639 264 1HG2 VAL 66 1HG2 VAL 66 -10.048 -4.244 -0.867 265 2HG2 VAL 66 2HG2 VAL 66 -10.251 -3.588 -2.501 266 3HG2 VAL 66 3HG2 VAL 66 -9.128 -4.927 -2.239 267 H THR 67 H THR 67 -9.099 0.039 -2.465 268 HA THR 67 HA THR 67 -11.790 0.785 -2.304 269 HB THR 67 HB THR 67 -9.870 1.054 -4.646 270 HG1 THR 67 1HG THR 67 -9.824 2.555 -2.252 271 1HG2 THR 67 1HG2 THR 67 -12.018 2.894 -3.487 272 2HG2 THR 67 2HG2 THR 67 -10.712 3.482 -4.532 273 3HG2 THR 67 3HG2 THR 67 -11.851 2.312 -5.170 274 H VAL 68 H VAL 68 -12.917 0.804 -4.655 275 HA VAL 68 HA VAL 68 -13.414 -2.019 -5.435 276 HB VAL 68 HB VAL 68 -15.148 -1.349 -3.994 277 1HG1 VAL 68 1HG1 VAL 68 -15.033 1.089 -4.115 278 2HG1 VAL 68 2HG1 VAL 68 -15.643 1.070 -5.779 279 3HG1 VAL 68 3HG1 VAL 68 -16.674 0.517 -4.449 280 1HG2 VAL 68 1HG2 VAL 68 -17.012 -1.865 -5.407 281 2HG2 VAL 68 2HG2 VAL 68 -16.191 -1.241 -6.849 282 3HG2 VAL 68 3HG2 VAL 68 -15.580 -2.702 -6.054 283 H GLY 69 H GLY 69 -11.761 -1.454 -6.774 284 1HA GLY 69 1HA GLY 69 -11.507 -1.798 -9.175 285 2HA GLY 69 2HA GLY 69 -12.794 -0.633 -9.472 286 H SER 70 H SER 70 -9.753 -0.522 -7.554 287 HA SER 70 HA SER 70 -8.883 1.887 -9.127 288 1HB SER 70 2HB SER 70 -8.116 1.100 -6.303 289 2HB SER 70 3HB SER 70 -7.570 2.532 -7.202 290 HG SER 70 HG SER 70 -10.308 2.113 -7.099 291 H MET 71 H MET 71 -8.450 -1.325 -9.307 292 HA MET 71 HA MET 71 -5.543 -1.496 -9.183 293 1HB MET 71 2HB MET 71 -7.496 -3.313 -8.990 294 2HB MET 71 3HB MET 71 -7.275 -3.476 -10.718 295 1HG MET 71 2HG MET 71 -4.983 -3.708 -8.719 296 2HG MET 71 3HG MET 71 -6.116 -5.027 -9.018 297 1HE MET 71 1HE MET 71 -4.610 -2.934 -12.118 298 2HE MET 71 2HE MET 71 -3.633 -2.701 -10.627 299 3HE MET 71 3HE MET 71 -2.992 -3.649 -11.995 300 H VAL 72 H VAL 72 -4.419 -0.240 -10.668 301 HA VAL 72 HA VAL 72 -5.327 -0.456 -13.516 302 HB VAL 72 HB VAL 72 -4.178 1.792 -13.827 303 1HG1 VAL 72 1HG1 VAL 72 -6.599 1.427 -14.093 304 2HG1 VAL 72 2HG1 VAL 72 -6.840 1.643 -12.346 305 3HG1 VAL 72 3HG1 VAL 72 -6.277 2.999 -13.345 306 1HG2 VAL 72 1HG2 VAL 72 -3.259 1.933 -11.474 307 2HG2 VAL 72 2HG2 VAL 72 -4.178 3.354 -11.991 308 3HG2 VAL 72 3HG2 VAL 72 -4.908 2.176 -10.885 309 H ARG 73 H ARG 73 -3.924 -1.305 -14.837 310 HA ARG 73 HA ARG 73 -1.140 -1.738 -13.903 311 1HB ARG 73 2HB ARG 73 -1.065 -3.678 -15.367 312 2HB ARG 73 3HB ARG 73 -2.277 -3.885 -14.097 313 1HG ARG 73 2HG ARG 73 -4.073 -3.758 -15.567 314 2HG ARG 73 3HG ARG 73 -3.129 -2.996 -16.869 315 1HD ARG 73 2HD ARG 73 -1.842 -4.938 -17.275 316 2HD ARG 73 3HD ARG 73 -2.429 -5.753 -15.802 317 HE ARG 73 HE ARG 73 -4.719 -5.284 -17.266 318 1HH1 ARG 73 2HH2 ARG 73 -1.667 -6.940 -17.927 319 2HH1 ARG 73 1HH2 ARG 73 -2.372 -8.251 -18.808 320 1HH2 ARG 73 1HH1 ARG 73 -5.706 -7.039 -18.419 321 2HH2 ARG 73 2HH1 ARG 73 -4.732 -8.297 -19.105 322 H ASP 74 H ASP 74 0.557 -1.421 -15.370 323 HA ASP 74 HA ASP 74 -0.035 0.319 -17.667 324 1HB ASP 74 2HB ASP 74 2.516 -0.841 -16.492 325 2HB ASP 74 3HB ASP 74 2.486 0.146 -17.964 326 HA PRO 75 HA PRO 75 0.007 -3.132 -20.498 327 1HB PRO 75 2HB PRO 75 0.708 -1.945 -22.885 328 2HB PRO 75 3HB PRO 75 -0.840 -1.596 -22.067 329 1HG PRO 75 2HG PRO 75 1.735 0.000 -21.883 330 2HG PRO 75 3HG PRO 75 0.100 0.614 -22.271 331 1HD PRO 75 2HD PRO 75 1.100 0.747 -19.750 332 2HD PRO 75 3HD PRO 75 -0.620 0.348 -20.021 333 H ASN 76 H ASN 76 2.756 -2.002 -19.176 334 HA ASN 76 HA ASN 76 4.653 -3.654 -20.660 335 1HB ASN 76 2HB ASN 76 4.640 -2.756 -17.753 336 2HB ASN 76 3HB ASN 76 5.999 -3.469 -18.647 337 1HD2 ASN 76 1HD2 ASN 76 4.555 -0.506 -17.695 338 2HD2 ASN 76 2HD2 ASN 76 5.437 0.511 -18.812 339 H SER 77 H SER 77 2.022 -4.095 -18.360 340 HA SER 77 HA SER 77 1.063 -5.845 -17.402 341 1HB SER 77 2HB SER 77 2.873 -7.641 -19.069 342 2HB SER 77 3HB SER 77 1.494 -8.159 -18.111 343 HG SER 77 HG SER 77 1.343 -7.403 -20.541 344 H LEU 78 H LEU 78 4.135 -4.930 -16.738 345 HA LEU 78 HA LEU 78 4.348 -6.728 -14.365 346 1HB LEU 78 2HB LEU 78 6.794 -6.403 -14.533 347 2HB LEU 78 3HB LEU 78 6.033 -7.403 -15.769 348 HG LEU 78 HG LEU 78 6.153 -5.589 -17.414 349 1HD1 LEU 78 1HD1 LEU 78 5.944 -3.611 -16.104 350 2HD1 LEU 78 2HD1 LEU 78 7.355 -4.026 -15.101 351 3HD1 LEU 78 3HD1 LEU 78 7.561 -3.551 -16.805 352 1HD2 LEU 78 1HD2 LEU 78 8.786 -6.120 -16.013 353 2HD2 LEU 78 2HD2 LEU 78 7.988 -7.169 -17.209 354 3HD2 LEU 78 3HD2 LEU 78 8.573 -5.567 -17.694 355 H HIS 79 H HID 79 3.540 -3.598 -15.162 356 HA HIS 79 HA HID 79 4.474 -2.614 -12.499 357 1HB HIS 79 2HB HID 79 4.239 -1.127 -15.134 358 2HB HIS 79 3HB HID 79 4.137 -0.317 -13.572 359 HD1 HIS 79 1HD HID 79 6.429 -0.987 -11.904 360 HD2 HIS 79 2HD HID 79 6.641 -0.990 -16.108 361 HE1 HIS 79 1HE HID 79 8.887 -0.700 -12.512 362 H VAL 80 H VAL 80 2.818 -2.298 -11.164 363 HA VAL 80 HA VAL 80 0.141 -1.696 -12.240 364 HB VAL 80 HB VAL 80 -0.827 -3.548 -10.903 365 1HG1 VAL 80 1HG1 VAL 80 -0.491 -5.297 -12.438 366 2HG1 VAL 80 2HG1 VAL 80 -0.187 -3.810 -13.355 367 3HG1 VAL 80 3HG1 VAL 80 1.170 -4.788 -12.804 368 1HG2 VAL 80 1HG2 VAL 80 0.591 -4.231 -9.259 369 2HG2 VAL 80 2HG2 VAL 80 0.912 -5.494 -10.465 370 3HG2 VAL 80 3HG2 VAL 80 2.056 -4.199 -10.279 371 H GLN 81 H GLN 81 -1.245 -0.715 -10.709 372 HA GLN 81 HA GLN 81 -0.131 -0.210 -8.022 373 1HB GLN 81 2HB GLN 81 -0.454 2.317 -8.425 374 2HB GLN 81 3HB GLN 81 1.028 1.553 -9.011 375 1HG GLN 81 2HG GLN 81 0.496 1.679 -11.225 376 2HG GLN 81 3HG GLN 81 -1.237 1.752 -10.933 377 1HE2 GLN 81 1HE2 GLN 81 -2.223 3.775 -10.316 378 2HE2 GLN 81 2HE2 GLN 81 -1.346 5.283 -10.524 379 H PHE 82 H PHE 82 -1.601 0.807 -6.561 380 HA PHE 82 HA PHE 82 -4.384 1.068 -7.413 381 1HB PHE 82 2HB PHE 82 -5.234 -0.730 -5.957 382 2HB PHE 82 3HB PHE 82 -4.305 -1.320 -7.320 383 HD1 PHE 82 1HD PHE 82 -4.118 -0.643 -3.652 384 HD2 PHE 82 2HD PHE 82 -2.438 -2.785 -6.999 385 HE1 PHE 82 1HE PHE 82 -2.927 -2.150 -2.094 386 HE2 PHE 82 2HE PHE 82 -1.246 -4.286 -5.430 387 HZ PHE 82 HZ PHE 82 -1.553 -4.005 -2.966 388 H ALA 83 H ALA 83 -5.772 1.870 -5.803 389 HA ALA 83 HA ALA 83 -4.431 3.232 -3.550 390 1HB ALA 83 1HB ALA 83 -6.568 4.435 -3.280 391 2HB ALA 83 2HB ALA 83 -5.955 4.602 -4.939 392 3HB ALA 83 3HB ALA 83 -7.287 3.476 -4.586 393 H VAL 84 H VAL 84 -5.234 3.011 -1.418 394 HA VAL 84 HA VAL 84 -7.339 1.015 -0.930 395 HB VAL 84 HB VAL 84 -6.238 0.067 0.985 396 1HG1 VAL 84 1HG1 VAL 84 -5.775 -0.929 -1.287 397 2HG1 VAL 84 2HG1 VAL 84 -4.226 -0.060 -1.292 398 3HG1 VAL 84 3HG1 VAL 84 -4.547 -1.292 -0.058 399 1HG2 VAL 84 1HG2 VAL 84 -4.877 1.929 1.777 400 2HG2 VAL 84 2HG2 VAL 84 -3.852 0.512 1.527 401 3HG2 VAL 84 3HG2 VAL 84 -3.842 1.823 0.330 402 H HIS 85 H HID 85 -8.284 1.393 1.312 403 HA HIS 85 HA HID 85 -7.934 4.145 2.287 404 1HB HIS 85 2HB HID 85 -10.232 4.725 2.134 405 2HB HIS 85 3HB HID 85 -9.734 4.200 0.536 406 HD1 HIS 85 1HD HID 85 -12.233 3.373 3.261 407 HD2 HIS 85 2HD HID 85 -10.602 1.673 -0.241 408 HE1 HIS 85 1HE HID 85 -13.849 1.551 2.494 409 H ASP 86 H ASP 86 -10.004 4.159 4.098 410 HA ASP 86 HA ASP 86 -9.795 1.680 5.698 411 1HB ASP 86 2HB ASP 86 -8.034 3.466 6.371 412 2HB ASP 86 3HB ASP 86 -9.417 4.369 7.012 413 H SER 87 H SER 87 -11.285 2.096 7.695 414 HA SER 87 HA SER 87 -13.974 3.034 7.044 415 1HB SER 87 2HB SER 87 -12.555 2.369 9.678 416 2HB SER 87 3HB SER 87 -14.292 2.675 9.477 417 HG SER 87 HG SER 87 -14.154 0.870 7.882 418 H LEU 88 H LEU 88 -10.978 4.087 8.697 419 HA LEU 88 HA LEU 88 -12.004 6.821 9.135 420 1HB LEU 88 2HB LEU 88 -9.461 5.305 9.724 421 2HB LEU 88 3HB LEU 88 -9.415 7.060 9.758 422 HG LEU 88 HG LEU 88 -9.691 6.035 11.941 423 1HD1 LEU 88 1HD1 LEU 88 -11.347 7.596 12.782 424 2HD1 LEU 88 2HD1 LEU 88 -10.392 8.362 11.503 425 3HD1 LEU 88 3HD1 LEU 88 -12.045 7.806 11.167 426 1HD2 LEU 88 1HD2 LEU 88 -12.516 5.286 11.097 427 2HD2 LEU 88 2HD2 LEU 88 -11.171 4.141 11.329 428 3HD2 LEU 88 3HD2 LEU 88 -11.782 5.089 12.698 429 H GLY 89 H GLY 89 -11.787 5.646 6.311 430 1HA GLY 89 1HA GLY 89 -11.314 6.466 4.239 431 2HA GLY 89 2HA GLY 89 -11.442 8.048 5.026 432 H GLY 90 H GLY 90 -8.958 5.486 5.454 433 1HA GLY 90 1HA GLY 90 -6.804 7.435 5.293 434 2HA GLY 90 2HA GLY 90 -6.674 5.681 5.515 435 H GLU 91 H GLU 91 -7.911 7.841 2.893 436 HA GLU 91 HA GLU 91 -7.297 6.037 0.823 437 1HB GLU 91 2HB GLU 91 -7.948 8.960 0.971 438 2HB GLU 91 3HB GLU 91 -7.276 8.354 -0.543 439 1HG GLU 91 2HG GLU 91 -9.005 6.792 -0.886 440 2HG GLU 91 3HG GLU 91 -9.567 6.882 0.782 441 H ILE 92 H ILE 92 -5.319 5.253 0.317 442 HA ILE 92 HA ILE 92 -3.082 7.113 -0.085 443 HB ILE 92 HB ILE 92 -2.936 6.334 2.286 444 1HG1 ILE 92 2HG1 ILE 92 -0.634 5.567 2.332 445 2HG1 ILE 92 3HG1 ILE 92 -0.653 5.198 0.612 446 1HG2 ILE 92 1HG2 ILE 92 -2.433 4.037 2.838 447 2HG2 ILE 92 2HG2 ILE 92 -3.969 4.094 1.962 448 3HG2 ILE 92 3HG2 ILE 92 -2.489 3.557 1.132 449 1HD1 ILE 92 1HD1 ILE 92 0.455 7.365 1.199 450 2HD1 ILE 92 2HD1 ILE 92 -0.904 7.610 0.096 451 3HD1 ILE 92 3HD1 ILE 92 -1.087 7.970 1.830 452 H LEU 93 H LEU 93 -1.239 5.899 -1.265 453 HA LEU 93 HA LEU 93 -2.516 4.087 -3.256 454 1HB LEU 93 2HB LEU 93 -1.490 6.831 -3.532 455 2HB LEU 93 3HB LEU 93 -0.603 5.728 -4.578 456 HG LEU 93 HG LEU 93 -3.628 5.672 -4.553 457 1HD1 LEU 93 1HD1 LEU 93 -3.021 8.017 -4.965 458 2HD1 LEU 93 2HD1 LEU 93 -1.842 7.520 -6.199 459 3HD1 LEU 93 3HD1 LEU 93 -3.579 7.253 -6.464 460 1HD2 LEU 93 1HD2 LEU 93 -3.295 4.749 -6.792 461 2HD2 LEU 93 2HD2 LEU 93 -1.561 5.137 -6.748 462 3HD2 LEU 93 3HD2 LEU 93 -2.207 3.874 -5.697 463 H VAL 94 H VAL 94 -1.339 2.315 -3.743 464 HA VAL 94 HA VAL 94 1.557 2.361 -2.989 465 HB VAL 94 HB VAL 94 1.542 0.090 -2.453 466 1HG1 VAL 94 1HG1 VAL 94 -0.918 1.273 -1.079 467 2HG1 VAL 94 2HG1 VAL 94 0.116 -0.040 -0.485 468 3HG1 VAL 94 3HG1 VAL 94 0.763 1.598 -0.630 469 1HG2 VAL 94 1HG2 VAL 94 -0.089 -0.806 -4.076 470 2HG2 VAL 94 2HG2 VAL 94 -0.454 -1.316 -2.424 471 3HG2 VAL 94 3HG2 VAL 94 -1.393 0.006 -3.173 472 H THR 95 H THR 95 2.976 1.466 -4.430 473 HA THR 95 HA THR 95 1.986 0.902 -7.164 474 HB THR 95 HB THR 95 4.418 1.613 -7.709 475 HG1 THR 95 1HG THR 95 5.385 2.886 -6.063 476 1HG2 THR 95 1HG2 THR 95 3.939 4.026 -7.573 477 2HG2 THR 95 2HG2 THR 95 2.491 3.156 -8.095 478 3HG2 THR 95 3HG2 THR 95 2.627 3.732 -6.419 479 H TYR 96 H TYR 96 3.061 -0.870 -8.244 480 HA TYR 96 HA TYR 96 4.656 -2.719 -6.562 481 1HB TYR 96 2HB TYR 96 2.069 -2.925 -6.376 482 2HB TYR 96 3HB TYR 96 2.125 -3.487 -8.020 483 HD1 TYR 96 HD1 TYR 96 4.224 -5.458 -8.201 484 HD2 TYR 96 HD2 TYR 96 1.642 -4.581 -4.868 485 HE1 TYR 96 HE1 TYR 96 4.225 -7.855 -7.561 486 HE2 TYR 96 HE2 TYR 96 1.802 -6.943 -4.164 487 HH TYR 96 HH TYR 96 3.707 -8.930 -4.812 488 H ASP 97 H ASP 97 6.447 -3.060 -7.862 489 HA ASP 97 HA ASP 97 6.185 -2.784 -10.781 490 1HB ASP 97 2HB ASP 97 8.638 -2.445 -10.600 491 2HB ASP 97 3HB ASP 97 7.713 -1.283 -9.638 492 H ASP 98 H ASP 98 5.066 -5.084 -9.993 493 HA ASP 98 HA ASP 98 6.397 -6.945 -11.571 494 1HB ASP 98 2HB ASP 98 7.619 -7.242 -9.257 495 2HB ASP 98 3HB ASP 98 6.134 -8.034 -8.739 496 H LEU 99 H LEU 99 4.907 -9.176 -11.108 497 HA LEU 99 HA LEU 99 2.164 -8.213 -11.582 498 1HB LEU 99 2HB LEU 99 3.381 -11.009 -11.644 499 2HB LEU 99 3HB LEU 99 1.681 -10.636 -11.928 500 HG LEU 99 HG LEU 99 2.676 -8.903 -13.704 501 1HD1 LEU 99 1HD1 LEU 99 4.594 -9.900 -14.919 502 2HD1 LEU 99 2HD1 LEU 99 5.068 -9.398 -13.295 503 3HD1 LEU 99 3HD1 LEU 99 4.780 -11.117 -13.639 504 1HD2 LEU 99 1HD2 LEU 99 2.375 -11.892 -14.186 505 2HD2 LEU 99 2HD2 LEU 99 1.071 -10.683 -14.192 506 3HD2 LEU 99 3HD2 LEU 99 2.331 -10.626 -15.435 507 H LEU 100 H LEU 100 0.339 -8.739 -10.409 508 HA LEU 100 HA LEU 100 0.745 -8.992 -7.526 509 1HB LEU 100 2HB LEU 100 -1.793 -8.736 -9.229 510 2HB LEU 100 3HB LEU 100 -1.735 -8.549 -7.474 511 HG LEU 100 HG LEU 100 -0.404 -6.809 -9.553 512 1HD1 LEU 100 1HD1 LEU 100 -2.413 -5.858 -7.554 513 2HD1 LEU 100 2HD1 LEU 100 -1.857 -5.071 -9.026 514 3HD1 LEU 100 3HD1 LEU 100 -2.885 -6.507 -9.149 515 1HD2 LEU 100 1HD2 LEU 100 -0.196 -6.831 -6.521 516 2HD2 LEU 100 2HD2 LEU 100 1.098 -6.749 -7.748 517 3HD2 LEU 100 3HD2 LEU 100 0.079 -5.338 -7.428 518 HA PRO 101 HA PRO 101 -0.316 -13.346 -7.395 519 1HB PRO 101 2HB PRO 101 -1.424 -13.643 -4.909 520 2HB PRO 101 3HB PRO 101 0.289 -13.253 -5.171 521 1HG PRO 101 2HG PRO 101 -1.929 -11.271 -4.560 522 2HG PRO 101 3HG PRO 101 -0.362 -11.429 -3.743 523 1HD PRO 101 2HD PRO 101 -0.753 -9.631 -5.737 524 2HD PRO 101 3HD PRO 101 0.797 -10.511 -5.604 525 H ASP 102 H ASP 102 -3.153 -12.535 -5.435 526 HA ASP 102 HA ASP 102 -4.962 -13.719 -7.229 527 1HB ASP 102 2HB ASP 102 -5.558 -11.837 -4.895 528 2HB ASP 102 3HB ASP 102 -6.579 -13.140 -5.517 529 H LEU 103 H LEU 103 -3.852 -11.828 -8.850 530 HA LEU 103 HA LEU 103 -3.764 -9.882 -9.863 531 1HB LEU 103 2HB LEU 103 -5.511 -9.337 -11.232 532 2HB LEU 103 3HB LEU 103 -5.691 -11.055 -10.940 533 HG LEU 103 HG LEU 103 -7.297 -9.635 -8.965 534 1HD1 LEU 103 1HD1 LEU 103 -7.197 -7.700 -10.496 535 2HD1 LEU 103 2HD1 LEU 103 -7.807 -8.722 -11.813 536 3HD1 LEU 103 3HD1 LEU 103 -8.819 -8.392 -10.387 537 1HD2 LEU 103 1HD2 LEU 103 -8.058 -11.242 -11.438 538 2HD2 LEU 103 2HD2 LEU 103 -7.776 -11.891 -9.804 539 3HD2 LEU 103 3HD2 LEU 103 -9.145 -10.803 -10.110 540 H PHE 104 H PHE 104 -4.481 -9.645 -6.792 541 HA PHE 104 HA PHE 104 -5.262 -8.218 -5.267 542 1HB PHE 104 2HB PHE 104 -3.632 -6.627 -5.971 543 2HB PHE 104 3HB PHE 104 -4.665 -6.049 -7.291 544 HD1 PHE 104 1HD PHE 104 -6.584 -4.563 -6.852 545 HD2 PHE 104 2HD PHE 104 -4.099 -6.027 -3.641 546 HE1 PHE 104 1HE PHE 104 -7.188 -2.597 -5.495 547 HE2 PHE 104 2HE PHE 104 -4.760 -4.071 -2.276 548 HZ PHE 104 HZ PHE 104 -6.127 -2.270 -3.273 549 H ARG 105 H ARG 105 -7.268 -9.237 -5.322 550 HA ARG 105 HA ARG 105 -9.381 -8.199 -7.063 551 1HB ARG 105 2HB ARG 105 -9.235 -10.128 -4.724 552 2HB ARG 105 3HB ARG 105 -10.795 -9.539 -5.290 553 1HG ARG 105 2HG ARG 105 -8.769 -10.731 -7.220 554 2HG ARG 105 3HG ARG 105 -9.834 -11.769 -6.274 555 1HD ARG 105 2HD ARG 105 -10.752 -9.553 -8.179 556 2HD ARG 105 3HD ARG 105 -10.740 -11.282 -8.523 557 HE ARG 105 HE ARG 105 -12.225 -11.579 -6.534 558 1HH1 ARG 105 2HH2 ARG 105 -12.414 -8.278 -8.069 559 2HH1 ARG 105 1HH2 ARG 105 -14.118 -8.399 -8.234 560 1HH2 ARG 105 1HH1 ARG 105 -14.456 -11.446 -6.428 561 2HH2 ARG 105 2HH1 ARG 105 -15.316 -10.084 -7.061 562 H GLU 106 H GLU 106 -11.005 -6.849 -6.479 563 HA GLU 106 HA GLU 106 -10.212 -4.795 -4.600 564 1HB GLU 106 2HB GLU 106 -12.607 -4.743 -6.465 565 2HB GLU 106 3HB GLU 106 -11.566 -3.432 -5.896 566 1HG GLU 106 2HG GLU 106 -10.723 -3.636 -7.999 567 2HG GLU 106 3HG GLU 106 -9.673 -4.810 -7.238 568 H GLY 107 H GLY 107 -12.065 -3.637 -3.392 569 1HA GLY 107 1HA GLY 107 -13.412 -3.748 -1.541 570 2HA GLY 107 2HA GLY 107 -14.467 -4.710 -2.589 571 H GLN 108 H GLN 108 -11.265 -5.531 -1.171 572 HA GLN 108 HA GLN 108 -12.372 -7.298 0.854 573 1HB GLN 108 2HB GLN 108 -11.073 -9.243 0.077 574 2HB GLN 108 3HB GLN 108 -12.408 -8.838 -0.999 575 1HG GLN 108 2HG GLN 108 -11.064 -8.619 -2.772 576 2HG GLN 108 3HG GLN 108 -10.049 -7.443 -1.955 577 1HE2 GLN 108 1HE2 GLN 108 -8.201 -8.227 -2.991 578 2HE2 GLN 108 2HE2 GLN 108 -7.445 -9.748 -2.477 579 H GLY 109 H GLY 109 -11.085 -6.824 2.646 580 1HA GLY 109 1HA GLY 109 -8.855 -5.103 2.303 581 2HA GLY 109 2HA GLY 109 -9.304 -5.907 3.824 582 H ILE 110 H ILE 110 -6.701 -5.388 2.329 583 HA ILE 110 HA ILE 110 -5.537 -8.093 2.594 584 HB ILE 110 HB ILE 110 -4.284 -8.036 0.583 585 1HG1 ILE 110 2HG1 ILE 110 -5.086 -6.348 -1.249 586 2HG1 ILE 110 3HG1 ILE 110 -5.436 -5.296 0.133 587 1HG2 ILE 110 1HG2 ILE 110 -7.109 -7.446 -0.314 588 2HG2 ILE 110 2HG2 ILE 110 -5.937 -8.586 -0.993 589 3HG2 ILE 110 3HG2 ILE 110 -6.702 -8.928 0.570 590 1HD1 ILE 110 1HD1 ILE 110 -3.149 -5.081 -0.994 591 2HD1 ILE 110 2HD1 ILE 110 -3.122 -5.263 0.763 592 3HD1 ILE 110 3HD1 ILE 110 -2.750 -6.657 -0.292 593 H VAL 111 H VAL 111 -3.087 -7.893 2.699 594 HA VAL 111 HA VAL 111 -2.367 -5.241 3.878 595 HB VAL 111 HB VAL 111 -1.063 -6.302 5.542 596 1HG1 VAL 111 1HG1 VAL 111 -2.808 -7.193 6.958 597 2HG1 VAL 111 2HG1 VAL 111 -3.525 -5.918 5.961 598 3HG1 VAL 111 3HG1 VAL 111 -3.815 -7.617 5.562 599 1HG2 VAL 111 1HG2 VAL 111 -2.066 -8.984 4.480 600 2HG2 VAL 111 2HG2 VAL 111 -0.387 -8.401 4.412 601 3HG2 VAL 111 3HG2 VAL 111 -1.147 -8.749 5.971 602 H ALA 112 H ALA 112 -0.640 -4.262 3.079 603 HA ALA 112 HA ALA 112 0.811 -5.642 0.858 604 1HB ALA 112 1HB ALA 112 -0.077 -2.751 1.069 605 2HB ALA 112 2HB ALA 112 0.708 -3.532 -0.315 606 3HB ALA 112 3HB ALA 112 -0.934 -4.003 0.162 607 H GLN 113 H GLN 113 2.932 -5.850 1.239 608 HA GLN 113 HA GLN 113 4.327 -3.933 3.044 609 1HB GLN 113 2HB GLN 113 4.118 -6.237 3.921 610 2HB GLN 113 3HB GLN 113 4.823 -6.889 2.460 611 1HG GLN 113 2HG GLN 113 6.465 -4.818 3.954 612 2HG GLN 113 3HG GLN 113 6.202 -6.381 4.736 613 1HE2 GLN 113 1HE2 GLN 113 6.352 -8.323 3.041 614 2HE2 GLN 113 2HE2 GLN 113 7.909 -8.305 2.235 615 H GLY 114 H GLY 114 6.381 -3.220 2.425 616 1HA GLY 114 1HA GLY 114 8.071 -4.392 0.662 617 2HA GLY 114 2HA GLY 114 7.194 -3.281 -0.377 618 H VAL 115 H VAL 115 8.181 -1.240 -0.454 619 HA VAL 115 HA VAL 115 9.257 -0.136 2.056 620 HB VAL 115 HB VAL 115 11.085 -1.456 0.878 621 1HG1 VAL 115 1HG1 VAL 115 12.124 -0.586 -1.123 622 2HG1 VAL 115 2HG1 VAL 115 10.416 -0.898 -1.469 623 3HG1 VAL 115 3HG1 VAL 115 10.983 0.766 -1.203 624 1HG2 VAL 115 1HG2 VAL 115 11.569 1.510 1.252 625 2HG2 VAL 115 2HG2 VAL 115 11.743 0.209 2.452 626 3HG2 VAL 115 3HG2 VAL 115 12.829 0.278 1.064 627 H LEU 116 H LEU 116 9.352 2.109 2.106 628 HA LEU 116 HA LEU 116 7.712 3.528 0.128 629 1HB LEU 116 2HB LEU 116 9.460 4.323 2.488 630 2HB LEU 116 3HB LEU 116 8.913 5.539 1.315 631 HG LEU 116 HG LEU 116 7.557 5.409 3.373 632 1HD1 LEU 116 1HD1 LEU 116 6.731 6.486 1.359 633 2HD1 LEU 116 2HD1 LEU 116 6.226 4.933 0.682 634 3HD1 LEU 116 3HD1 LEU 116 5.395 5.577 2.088 635 1HD2 LEU 116 1HD2 LEU 116 7.560 2.949 3.646 636 2HD2 LEU 116 2HD2 LEU 116 5.925 3.631 3.641 637 3HD2 LEU 116 3HD2 LEU 116 6.539 2.792 2.200 638 H GLY 117 H GLY 117 8.427 4.788 -1.650 639 1HA GLY 117 1HA GLY 117 11.227 5.596 -1.739 640 2HA GLY 117 2HA GLY 117 10.885 4.288 -2.884 641 H GLU 118 H GLU 118 8.450 6.720 -2.042 642 HA GLU 118 HA GLU 118 8.855 8.267 -4.512 643 1HB GLU 118 2HB GLU 118 6.376 6.622 -3.922 644 2HB GLU 118 3HB GLU 118 6.580 7.751 -5.281 645 1HG GLU 118 2HG GLU 118 8.360 6.191 -6.152 646 2HG GLU 118 3HG GLU 118 7.964 5.084 -4.819 647 H ASP 119 H ASP 119 9.203 9.117 -1.947 648 HA ASP 119 HA ASP 119 8.288 10.204 -0.106 649 1HB ASP 119 2HB ASP 119 8.345 11.999 -2.550 650 2HB ASP 119 3HB ASP 119 8.518 12.519 -0.868 651 H GLY 120 H GLY 120 6.258 8.829 -0.221 652 1HA GLY 120 1HA GLY 120 3.979 9.832 0.658 653 2HA GLY 120 2HA GLY 120 3.818 10.316 -1.039 654 H LYS 121 H LYS 121 5.032 8.074 -2.333 655 HA LYS 121 HA LYS 121 2.778 6.154 -1.939 656 1HB LYS 121 2HB LYS 121 4.359 6.940 -4.395 657 2HB LYS 121 3HB LYS 121 3.521 5.393 -4.277 658 1HG LYS 121 2HG LYS 121 2.092 6.877 -5.368 659 2HG LYS 121 3HG LYS 121 1.411 6.619 -3.766 660 1HD LYS 121 2HD LYS 121 1.572 8.801 -3.189 661 2HD LYS 121 3HD LYS 121 3.232 8.952 -3.764 662 1HE LYS 121 2HE LYS 121 0.842 8.938 -5.642 663 2HE LYS 121 3HE LYS 121 1.546 10.408 -4.964 664 1HZ LYS 121 1HZ LYS 121 3.631 9.868 -5.977 665 2HZ LYS 121 2HZ LYS 121 3.070 8.450 -6.571 666 3HZ LYS 121 3HZ LYS 121 2.464 9.876 -7.135 667 H LEU 122 H LEU 122 3.130 3.950 -2.087 668 HA LEU 122 HA LEU 122 5.695 3.135 -0.805 669 1HB LEU 122 2HB LEU 122 2.948 1.866 -0.542 670 2HB LEU 122 3HB LEU 122 4.412 1.524 0.368 671 HG LEU 122 HG LEU 122 4.156 4.177 0.915 672 1HD1 LEU 122 1HD1 LEU 122 1.283 3.317 0.638 673 2HD1 LEU 122 2HD1 LEU 122 1.881 4.756 1.474 674 3HD1 LEU 122 3HD1 LEU 122 2.109 4.606 -0.263 675 1HD2 LEU 122 1HD2 LEU 122 2.623 2.010 2.399 676 2HD2 LEU 122 2HD2 LEU 122 4.374 2.266 2.532 677 3HD2 LEU 122 3HD2 LEU 122 3.262 3.533 3.069 678 H ALA 123 H ALA 123 6.956 1.689 -1.936 679 HA ALA 123 HA ALA 123 5.857 0.354 -4.341 680 1HB ALA 123 1HB ALA 123 8.175 -0.363 -4.664 681 2HB ALA 123 2HB ALA 123 8.058 1.400 -4.502 682 3HB ALA 123 3HB ALA 123 8.658 0.421 -3.147 683 H ALA 124 H ALA 124 4.389 -1.064 -3.401 684 HA ALA 124 HA ALA 124 5.244 -2.669 -1.035 685 1HB ALA 124 1HB ALA 124 2.465 -2.003 -2.007 686 2HB ALA 124 2HB ALA 124 2.923 -2.835 -0.502 687 3HB ALA 124 3HB ALA 124 3.362 -1.133 -0.740 688 H THR 125 H THR 125 6.430 -4.109 -2.652 689 HA THR 125 HA THR 125 4.824 -5.427 -4.641 690 HB THR 125 HB THR 125 7.122 -4.746 -5.052 691 HG1 THR 125 1HG THR 125 6.090 -6.552 -6.167 692 1HG2 THR 125 1HG2 THR 125 9.005 -6.054 -4.212 693 2HG2 THR 125 2HG2 THR 125 8.146 -5.343 -2.835 694 3HG2 THR 125 3HG2 THR 125 7.930 -7.059 -3.229 695 H GLU 126 H GLU 126 5.132 -6.165 -1.328 696 HA GLU 126 HA GLU 126 4.475 -9.069 -1.823 697 1HB GLU 126 2HB GLU 126 5.756 -7.601 0.478 698 2HB GLU 126 3HB GLU 126 5.180 -9.273 0.590 699 1HG GLU 126 2HG GLU 126 6.957 -10.088 -0.588 700 2HG GLU 126 3HG GLU 126 6.903 -8.798 -1.787 701 H VAL 127 H VAL 127 2.278 -8.648 -2.315 702 HA VAL 127 HA VAL 127 0.631 -7.545 -0.098 703 HB VAL 127 HB VAL 127 -1.230 -7.561 -1.619 704 1HG1 VAL 127 1HG1 VAL 127 -0.220 -5.780 -3.242 705 2HG1 VAL 127 2HG1 VAL 127 -0.250 -5.499 -1.495 706 3HG1 VAL 127 3HG1 VAL 127 1.253 -5.977 -2.275 707 1HG2 VAL 127 1HG2 VAL 127 -0.968 -9.250 -3.137 708 2HG2 VAL 127 2HG2 VAL 127 -0.775 -7.798 -4.110 709 3HG2 VAL 127 3HG2 VAL 127 0.653 -8.754 -3.646 710 H LEU 128 H LEU 128 -0.376 -8.839 1.255 711 HA LEU 128 HA LEU 128 -0.675 -11.745 0.575 712 1HB LEU 128 2HB LEU 128 -0.549 -10.498 3.334 713 2HB LEU 128 3HB LEU 128 -0.622 -12.201 2.905 714 HG LEU 128 HG LEU 128 1.545 -11.855 3.611 715 1HD1 LEU 128 1HD1 LEU 128 2.982 -12.321 1.734 716 2HD1 LEU 128 2HD1 LEU 128 1.421 -13.127 1.479 717 3HD1 LEU 128 3HD1 LEU 128 1.819 -11.640 0.591 718 1HD2 LEU 128 1HD2 LEU 128 1.920 -9.411 1.853 719 2HD2 LEU 128 2HD2 LEU 128 1.601 -9.389 3.597 720 3HD2 LEU 128 3HD2 LEU 128 3.083 -10.123 2.968 721 H ALA 129 H ALA 129 -2.753 -12.054 -0.046 722 HA ALA 129 HA ALA 129 -4.860 -10.210 0.710 723 1HB ALA 129 1HB ALA 129 -4.730 -11.221 -1.542 724 2HB ALA 129 2HB ALA 129 -4.996 -12.828 -0.832 725 3HB ALA 129 3HB ALA 129 -6.267 -11.590 -0.740 726 H LYS 130 H LYS 130 -3.783 -11.341 3.060 727 HA LYS 130 HA LYS 130 -5.505 -13.625 3.812 728 1HB LYS 130 2HB LYS 130 -4.183 -13.775 5.777 729 2HB LYS 130 3HB LYS 130 -3.170 -13.768 4.353 730 1HG LYS 130 2HG LYS 130 -2.120 -11.822 4.846 731 2HG LYS 130 3HG LYS 130 -3.527 -11.050 5.561 732 1HD LYS 130 2HD LYS 130 -1.936 -13.268 6.911 733 2HD LYS 130 3HD LYS 130 -1.674 -11.532 7.175 734 1HE LYS 130 2HE LYS 130 -4.025 -11.272 7.967 735 2HE LYS 130 3HE LYS 130 -4.322 -12.993 7.748 736 1HZ LYS 130 1HZ LYS 130 -2.624 -13.445 9.379 737 2HZ LYS 130 2HZ LYS 130 -2.424 -11.827 9.648 738 3HZ LYS 130 3HZ LYS 130 -3.865 -12.555 9.975 739 H HIS 131 H HID 131 -7.258 -11.884 3.300 740 HA HIS 131 HA HID 131 -7.936 -9.820 5.015 741 1HB HIS 131 2HB HID 131 -10.208 -10.056 4.269 742 2HB HIS 131 3HB HID 131 -9.129 -10.380 2.914 743 HD1 HIS 131 1HD HID 131 -12.126 -11.834 4.496 744 HD2 HIS 131 2HD HID 131 -8.650 -13.256 2.570 745 HE1 HIS 131 1HE HID 131 -12.619 -14.194 3.739 746 H ASP 132 H ASP 132 -8.738 -13.251 5.420 747 HA ASP 132 HA ASP 132 -9.565 -14.473 7.110 748 1HB ASP 132 2HB ASP 132 -7.114 -13.999 7.599 749 2HB ASP 132 3HB ASP 132 -7.658 -12.810 8.796 Start of MODEL 18 1 H SER 32 H SER 32 17.628 0.932 12.400 2 HA SER 32 HA SER 32 18.575 -1.465 11.089 3 1HB SER 32 2HB SER 32 17.295 -2.966 12.684 4 2HB SER 32 3HB SER 32 18.779 -2.277 13.364 5 HG SER 32 HG SER 32 17.464 -0.661 14.347 6 H ASN 33 H ASN 33 16.489 -2.754 10.453 7 HA ASN 33 HA ASN 33 14.320 -0.857 9.803 8 1HB ASN 33 2HB ASN 33 13.838 -2.371 7.911 9 2HB ASN 33 3HB ASN 33 15.426 -1.603 7.801 10 1HD2 ASN 33 1HD2 ASN 33 15.232 -3.660 6.166 11 2HD2 ASN 33 2HD2 ASN 33 16.045 -5.074 6.820 12 H LEU 34 H LEU 34 12.160 -1.970 9.656 13 HA LEU 34 HA LEU 34 11.718 -4.320 11.294 14 1HB LEU 34 2HB LEU 34 11.439 -1.554 12.339 15 2HB LEU 34 3HB LEU 34 9.928 -2.446 12.437 16 HG LEU 34 HG LEU 34 12.506 -3.712 13.423 17 1HD1 LEU 34 1HD1 LEU 34 11.988 -2.864 15.680 18 2HD1 LEU 34 2HD1 LEU 34 12.399 -1.558 14.557 19 3HD1 LEU 34 3HD1 LEU 34 10.701 -1.839 15.004 20 1HD2 LEU 34 1HD2 LEU 34 9.586 -4.013 14.274 21 2HD2 LEU 34 2HD2 LEU 34 10.431 -5.113 13.163 22 3HD2 LEU 34 3HD2 LEU 34 10.961 -4.976 14.847 23 H ASN 35 H ASN 35 9.231 -4.704 11.245 24 HA ASN 35 HA ASN 35 7.991 -3.656 8.752 25 1HB ASN 35 2HB ASN 35 8.545 -6.617 9.269 26 2HB ASN 35 3HB ASN 35 7.566 -5.943 7.965 27 1HD2 ASN 35 1HD2 ASN 35 10.884 -6.345 9.173 28 2HD2 ASN 35 2HD2 ASN 35 11.651 -5.944 7.652 29 H LEU 36 H LEU 36 6.077 -2.919 9.635 30 HA LEU 36 HA LEU 36 4.609 -4.684 11.524 31 1HB LEU 36 2HB LEU 36 4.040 -2.799 12.866 32 2HB LEU 36 3HB LEU 36 5.779 -3.062 12.884 33 HG LEU 36 HG LEU 36 4.480 -0.941 11.109 34 1HD1 LEU 36 1HD1 LEU 36 5.603 -0.543 13.908 35 2HD1 LEU 36 2HD1 LEU 36 4.849 0.677 12.856 36 3HD1 LEU 36 3HD1 LEU 36 3.879 -0.640 13.531 37 1HD2 LEU 36 1HD2 LEU 36 6.719 0.168 11.377 38 2HD2 LEU 36 2HD2 LEU 36 7.309 -1.262 12.241 39 3HD2 LEU 36 3HD2 LEU 36 6.867 -1.359 10.525 40 H PHE 37 H PHE 37 2.386 -4.525 11.461 41 HA PHE 37 HA PHE 37 1.292 -3.608 8.875 42 1HB PHE 37 2HB PHE 37 0.210 -5.451 11.031 43 2HB PHE 37 3HB PHE 37 -0.675 -4.962 9.599 44 HD1 PHE 37 1HD PHE 37 1.617 -7.417 10.893 45 HD2 PHE 37 2HD PHE 37 0.285 -5.470 7.284 46 HE1 PHE 37 1HE PHE 37 2.446 -9.327 9.550 47 HE2 PHE 37 2HE PHE 37 1.206 -7.339 5.937 48 HZ PHE 37 HZ PHE 37 2.274 -9.278 7.064 49 H TYR 38 H TYR 38 0.512 -1.576 8.874 50 HA TYR 38 HA TYR 38 -1.053 -0.595 11.232 51 1HB TYR 38 2HB TYR 38 1.373 0.526 9.931 52 2HB TYR 38 3HB TYR 38 0.031 1.652 9.992 53 HD1 TYR 38 HD1 TYR 38 1.513 -0.914 12.359 54 HD2 TYR 38 HD2 TYR 38 0.023 3.089 11.802 55 HE1 TYR 38 HE1 TYR 38 1.770 -0.470 14.783 56 HE2 TYR 38 HE2 TYR 38 0.462 3.590 14.178 57 HH TYR 38 HH TYR 38 1.086 2.723 16.219 58 H THR 39 H THR 39 -2.628 1.159 10.653 59 HA THR 39 HA THR 39 -4.142 0.262 8.410 60 HB THR 39 HB THR 39 -5.549 2.315 9.194 61 HG1 THR 39 1HG THR 39 -4.916 3.098 11.196 62 1HG2 THR 39 1HG2 THR 39 -6.409 1.061 11.115 63 2HG2 THR 39 2HG2 THR 39 -6.032 -0.063 9.801 64 3HG2 THR 39 3HG2 THR 39 -4.927 0.078 11.184 65 HA PRO 40 HA PRO 40 -2.202 2.851 5.339 66 1HB PRO 40 2HB PRO 40 -4.292 3.247 3.572 67 2HB PRO 40 3HB PRO 40 -3.309 1.762 3.698 68 1HG PRO 40 2HG PRO 40 -5.972 2.323 4.997 69 2HG PRO 40 3HG PRO 40 -5.493 0.857 4.104 70 1HD PRO 40 2HD PRO 40 -5.434 0.851 6.747 71 2HD PRO 40 3HD PRO 40 -4.063 0.137 5.852 72 H SER 41 H SER 41 -5.190 3.887 6.961 73 HA SER 41 HA SER 41 -5.156 6.605 6.078 74 1HB SER 41 2HB SER 41 -6.659 6.897 8.063 75 2HB SER 41 3HB SER 41 -7.170 5.659 6.903 76 HG SER 41 HG SER 41 -6.912 4.187 8.455 77 H GLU 42 H GLU 42 -3.545 4.935 8.828 78 HA GLU 42 HA GLU 42 -2.874 7.090 10.463 79 1HB GLU 42 2HB GLU 42 -2.267 4.692 10.889 80 2HB GLU 42 3HB GLU 42 -1.041 4.806 9.623 81 1HG GLU 42 2HG GLU 42 0.324 5.260 11.396 82 2HG GLU 42 3HG GLU 42 -0.225 6.902 11.135 83 H ILE 43 H ILE 43 -1.344 6.022 7.444 84 HA ILE 43 HA ILE 43 0.642 8.096 7.711 85 HB ILE 43 HB ILE 43 1.768 7.067 5.787 86 1HG1 ILE 43 2HG1 ILE 43 -0.269 5.797 4.984 87 2HG1 ILE 43 3HG1 ILE 43 1.328 5.041 4.945 88 1HG2 ILE 43 1HG2 ILE 43 2.664 6.772 7.928 89 2HG2 ILE 43 2HG2 ILE 43 1.419 5.610 8.407 90 3HG2 ILE 43 3HG2 ILE 43 2.646 5.177 7.188 91 1HD1 ILE 43 1HD1 ILE 43 -0.103 3.357 5.653 92 2HD1 ILE 43 2HD1 ILE 43 0.729 3.822 7.129 93 3HD1 ILE 43 3HD1 ILE 43 -0.931 4.356 6.834 94 H VAL 44 H VAL 44 -2.282 8.588 6.774 95 HA VAL 44 HA VAL 44 -1.577 10.210 4.380 96 HB VAL 44 HB VAL 44 -3.528 8.471 4.626 97 1HG1 VAL 44 1HG1 VAL 44 -4.415 9.914 6.679 98 2HG1 VAL 44 2HG1 VAL 44 -5.157 10.889 5.409 99 3HG1 VAL 44 3HG1 VAL 44 -5.518 9.161 5.542 100 1HG2 VAL 44 1HG2 VAL 44 -3.135 9.771 2.610 101 2HG2 VAL 44 2HG2 VAL 44 -4.866 9.725 3.003 102 3HG2 VAL 44 3HG2 VAL 44 -3.927 11.192 3.326 103 H ASN 45 H ASN 45 -1.802 10.647 7.739 104 HA ASN 45 HA ASN 45 -2.987 13.398 7.519 105 1HB ASN 45 2HB ASN 45 -2.723 11.431 9.818 106 2HB ASN 45 3HB ASN 45 -3.058 13.149 10.056 107 1HD2 ASN 45 1HD2 ASN 45 -4.467 10.097 8.914 108 2HD2 ASN 45 2HD2 ASN 45 -6.078 10.772 8.750 109 H GLY 46 H GLY 46 -0.362 11.746 9.327 110 1HA GLY 46 1HA GLY 46 1.433 14.076 9.076 111 2HA GLY 46 2HA GLY 46 0.718 13.814 10.676 112 H LYS 47 H LYS 47 2.280 12.001 8.037 113 HA LYS 47 HA LYS 47 4.236 10.744 9.776 114 1HB LYS 47 2HB LYS 47 2.211 9.098 8.336 115 2HB LYS 47 3HB LYS 47 3.599 8.419 9.212 116 1HG LYS 47 2HG LYS 47 1.167 9.829 10.419 117 2HG LYS 47 3HG LYS 47 1.339 8.106 10.198 118 1HD LYS 47 2HD LYS 47 3.051 7.857 11.759 119 2HD LYS 47 3HD LYS 47 3.403 9.598 11.815 120 1HE LYS 47 2HE LYS 47 1.761 10.066 13.297 121 2HE LYS 47 3HE LYS 47 0.578 9.014 12.510 122 1HZ LYS 47 1HZ LYS 47 2.671 7.862 14.209 123 2HZ LYS 47 2HZ LYS 47 1.190 8.347 14.761 124 3HZ LYS 47 3HZ LYS 47 1.254 7.193 13.657 125 H THR 48 H THR 48 3.612 8.777 7.016 126 HA THR 48 HA THR 48 5.745 9.451 5.495 127 HB THR 48 HB THR 48 3.064 8.329 4.575 128 HG1 THR 48 1HG THR 48 4.121 6.351 5.185 129 1HG2 THR 48 1HG2 THR 48 4.536 7.045 2.998 130 2HG2 THR 48 2HG2 THR 48 4.461 8.772 2.686 131 3HG2 THR 48 3HG2 THR 48 5.883 8.111 3.499 132 H ASP 49 H ASP 49 2.336 10.378 4.626 133 HA ASP 49 HA ASP 49 2.938 11.695 2.298 134 1HB ASP 49 2HB ASP 49 0.669 11.161 3.152 135 2HB ASP 49 3HB ASP 49 0.797 12.487 4.323 136 H THR 50 H THR 50 2.884 13.069 5.539 137 HA THR 50 HA THR 50 3.842 15.679 4.750 138 HB THR 50 HB THR 50 3.563 14.641 7.573 139 HG1 THR 50 1HG THR 50 1.444 15.013 5.751 140 1HG2 THR 50 1HG2 THR 50 2.473 16.834 7.929 141 2HG2 THR 50 2HG2 THR 50 4.078 17.060 7.209 142 3HG2 THR 50 3HG2 THR 50 2.626 17.211 6.201 143 H GLY 51 H GLY 51 5.474 12.764 5.404 144 1HA GLY 51 1HA GLY 51 7.475 12.108 6.190 145 2HA GLY 51 2HA GLY 51 8.081 13.584 5.430 146 H VAL 52 H VAL 52 6.072 12.996 8.386 147 HA VAL 52 HA VAL 52 7.923 14.869 9.838 148 HB VAL 52 HB VAL 52 6.279 15.076 11.563 149 1HG1 VAL 52 1HG1 VAL 52 5.188 15.523 8.769 150 2HG1 VAL 52 2HG1 VAL 52 4.622 16.334 10.241 151 3HG1 VAL 52 3HG1 VAL 52 6.272 16.605 9.650 152 1HG2 VAL 52 1HG2 VAL 52 3.939 14.253 11.157 153 2HG2 VAL 52 2HG2 VAL 52 4.596 13.176 9.908 154 3HG2 VAL 52 3HG2 VAL 52 5.074 12.990 11.614 155 H LYS 53 H LYS 53 6.416 11.697 10.505 156 HA LYS 53 HA LYS 53 8.476 11.156 12.555 157 1HB LYS 53 2HB LYS 53 5.843 9.922 11.823 158 2HB LYS 53 3HB LYS 53 7.028 8.964 12.721 159 1HG LYS 53 2HG LYS 53 6.280 11.767 13.629 160 2HG LYS 53 3HG LYS 53 5.228 10.390 13.982 161 1HD LYS 53 2HD LYS 53 7.103 9.197 15.076 162 2HD LYS 53 3HD LYS 53 8.168 10.586 14.785 163 1HE LYS 53 2HE LYS 53 6.745 12.028 16.183 164 2HE LYS 53 3HE LYS 53 5.562 10.727 16.379 165 1HZ LYS 53 1HZ LYS 53 8.332 10.671 17.385 166 2HZ LYS 53 2HZ LYS 53 6.984 10.926 18.287 167 3HZ LYS 53 3HZ LYS 53 7.224 9.468 17.572 168 HA PRO 54 HA PRO 54 9.871 7.909 9.489 169 1HB PRO 54 2HB PRO 54 8.570 7.215 7.218 170 2HB PRO 54 3HB PRO 54 7.965 6.667 8.813 171 1HG PRO 54 2HG PRO 54 7.070 9.090 7.229 172 2HG PRO 54 3HG PRO 54 6.030 7.794 7.893 173 1HD PRO 54 2HD PRO 54 6.503 10.169 9.176 174 2HD PRO 54 3HD PRO 54 6.279 8.631 10.078 175 H GLU 55 H GLU 55 11.380 8.163 7.711 176 HA GLU 55 HA GLU 55 11.153 10.634 6.033 177 1HB GLU 55 2HB GLU 55 13.608 9.396 7.341 178 2HB GLU 55 3HB GLU 55 13.613 10.687 6.136 179 1HG GLU 55 2HG GLU 55 12.232 12.105 7.684 180 2HG GLU 55 3HG GLU 55 12.366 10.844 8.921 181 H ALA 56 H ALA 56 9.948 8.724 4.971 182 HA ALA 56 HA ALA 56 9.774 7.055 3.435 183 1HB ALA 56 1HB ALA 56 10.960 7.417 1.343 184 2HB ALA 56 2HB ALA 56 10.558 8.979 2.051 185 3HB ALA 56 3HB ALA 56 12.215 8.370 2.172 186 H GLY 57 H GLY 57 12.229 5.974 1.963 187 1HA GLY 57 1HA GLY 57 13.586 4.142 2.063 188 2HA GLY 57 2HA GLY 57 14.408 5.249 3.162 189 H GLN 58 H GLN 58 11.406 3.598 4.045 190 HA GLN 58 HA GLN 58 12.824 1.657 5.817 191 1HB GLN 58 2HB GLN 58 10.506 3.549 6.364 192 2HB GLN 58 3HB GLN 58 10.944 2.213 7.438 193 1HG GLN 58 2HG GLN 58 13.078 3.152 7.941 194 2HG GLN 58 3HG GLN 58 12.963 4.383 6.698 195 1HE2 GLN 58 1HE2 GLN 58 11.171 5.921 6.796 196 2HE2 GLN 58 2HE2 GLN 58 10.529 6.387 8.389 197 H ARG 59 H ARG 59 11.214 -0.005 6.568 198 HA ARG 59 HA ARG 59 9.303 -0.710 4.397 199 1HB ARG 59 2HB ARG 59 10.607 -2.533 6.449 200 2HB ARG 59 3HB ARG 59 9.420 -2.976 5.208 201 1HG ARG 59 2HG ARG 59 11.090 -1.967 3.497 202 2HG ARG 59 3HG ARG 59 12.281 -2.012 4.813 203 1HD ARG 59 2HD ARG 59 11.858 -4.460 5.059 204 2HD ARG 59 3HD ARG 59 10.670 -4.363 3.734 205 HE ARG 59 HE ARG 59 13.104 -3.266 2.798 206 1HH1 ARG 59 2HH2 ARG 59 11.736 -6.373 3.710 207 2HH1 ARG 59 1HH2 ARG 59 12.762 -7.330 2.688 208 1HH2 ARG 59 1HH1 ARG 59 14.517 -4.484 1.424 209 2HH2 ARG 59 2HH1 ARG 59 14.400 -6.212 1.356 210 H ILE 60 H ILE 60 7.199 -0.880 4.875 211 HA ILE 60 HA ILE 60 6.346 -1.130 7.643 212 HB ILE 60 HB ILE 60 4.722 0.592 7.634 213 1HG1 ILE 60 2HG1 ILE 60 5.586 1.437 4.840 214 2HG1 ILE 60 3HG1 ILE 60 4.097 0.575 5.243 215 1HG2 ILE 60 1HG2 ILE 60 6.079 2.623 7.759 216 2HG2 ILE 60 2HG2 ILE 60 6.991 1.247 8.369 217 3HG2 ILE 60 3HG2 ILE 60 7.342 1.890 6.755 218 1HD1 ILE 60 1HD1 ILE 60 3.446 2.818 5.049 219 2HD1 ILE 60 2HD1 ILE 60 3.453 2.460 6.779 220 3HD1 ILE 60 3HD1 ILE 60 4.780 3.402 6.056 221 H ARG 61 H ARG 61 3.911 -1.821 7.551 222 HA ARG 61 HA ARG 61 3.291 -2.856 4.855 223 1HB ARG 61 2HB ARG 61 2.572 -4.399 7.343 224 2HB ARG 61 3HB ARG 61 2.649 -4.931 5.669 225 1HG ARG 61 2HG ARG 61 5.116 -4.498 5.690 226 2HG ARG 61 3HG ARG 61 5.058 -4.177 7.427 227 1HD ARG 61 2HD ARG 61 4.050 -6.817 6.325 228 2HD ARG 61 3HD ARG 61 5.783 -6.434 6.522 229 HE ARG 61 HE ARG 61 4.393 -5.877 8.950 230 1HH1 ARG 61 2HH2 ARG 61 5.442 -8.572 6.920 231 2HH1 ARG 61 1HH2 ARG 61 5.874 -9.615 8.242 232 1HH2 ARG 61 1HH1 ARG 61 5.611 -7.064 10.653 233 2HH2 ARG 61 2HH1 ARG 61 5.703 -8.789 10.476 234 H VAL 62 H VAL 62 1.375 -2.230 4.177 235 HA VAL 62 HA VAL 62 -0.302 -0.608 6.075 236 HB VAL 62 HB VAL 62 -1.492 0.239 4.160 237 1HG1 VAL 62 1HG1 VAL 62 0.567 1.345 5.112 238 2HG1 VAL 62 2HG1 VAL 62 1.518 0.610 3.817 239 3HG1 VAL 62 3HG1 VAL 62 0.230 1.765 3.417 240 1HG2 VAL 62 1HG2 VAL 62 -1.110 -1.628 2.530 241 2HG2 VAL 62 2HG2 VAL 62 -0.704 -0.034 1.881 242 3HG2 VAL 62 3HG2 VAL 62 0.599 -1.106 2.422 243 H GLY 63 H GLY 63 -2.317 -1.389 6.715 244 1HA GLY 63 1HA GLY 63 -3.419 -3.778 5.311 245 2HA GLY 63 2HA GLY 63 -3.055 -3.850 7.044 246 H GLY 64 H GLY 64 -5.388 -3.184 4.693 247 1HA GLY 64 1HA GLY 64 -7.379 -2.152 6.474 248 2HA GLY 64 2HA GLY 64 -6.697 -0.834 5.500 249 H MET 65 H MET 65 -8.804 -0.654 4.388 250 HA MET 65 HA MET 65 -9.582 -3.028 2.771 251 1HB MET 65 2HB MET 65 -11.693 -1.769 2.358 252 2HB MET 65 3HB MET 65 -11.455 -2.498 3.937 253 1HG MET 65 2HG MET 65 -10.720 0.406 3.535 254 2HG MET 65 3HG MET 65 -12.416 -0.043 3.655 255 1HE MET 65 1HE MET 65 -12.832 -1.366 7.260 256 2HE MET 65 2HE MET 65 -13.597 -1.088 5.677 257 3HE MET 65 3HE MET 65 -12.437 -2.424 5.891 258 H VAL 66 H VAL 66 -9.448 -3.079 0.657 259 HA VAL 66 HA VAL 66 -8.356 -0.654 -0.699 260 HB VAL 66 HB VAL 66 -7.862 -2.037 -2.551 261 1HG1 VAL 66 1HG1 VAL 66 -6.083 -1.974 -0.994 262 2HG1 VAL 66 2HG1 VAL 66 -6.912 -3.022 0.184 263 3HG1 VAL 66 3HG1 VAL 66 -6.308 -3.697 -1.307 264 1HG2 VAL 66 1HG2 VAL 66 -8.180 -4.348 -2.755 265 2HG2 VAL 66 2HG2 VAL 66 -8.719 -4.539 -1.094 266 3HG2 VAL 66 3HG2 VAL 66 -9.767 -3.727 -2.284 267 H THR 67 H THR 67 -9.346 0.291 -2.555 268 HA THR 67 HA THR 67 -12.170 0.417 -2.517 269 HB THR 67 HB THR 67 -10.446 1.077 -4.899 270 HG1 THR 67 1HG THR 67 -10.345 2.467 -2.443 271 1HG2 THR 67 1HG2 THR 67 -11.740 3.349 -4.576 272 2HG2 THR 67 2HG2 THR 67 -12.610 1.986 -5.252 273 3HG2 THR 67 3HG2 THR 67 -12.815 2.413 -3.534 274 H VAL 68 H VAL 68 -13.166 0.193 -4.864 275 HA VAL 68 HA VAL 68 -12.588 -2.452 -6.073 276 HB VAL 68 HB VAL 68 -14.447 -2.778 -4.656 277 1HG1 VAL 68 1HG1 VAL 68 -15.774 -0.382 -5.980 278 2HG1 VAL 68 2HG1 VAL 68 -16.580 -1.548 -4.913 279 3HG1 VAL 68 3HG1 VAL 68 -15.267 -0.534 -4.291 280 1HG2 VAL 68 1HG2 VAL 68 -14.324 -3.737 -6.979 281 2HG2 VAL 68 2HG2 VAL 68 -15.946 -3.711 -6.242 282 3HG2 VAL 68 3HG2 VAL 68 -15.513 -2.522 -7.486 283 H GLY 69 H GLY 69 -11.274 -1.039 -7.215 284 1HA GLY 69 1HA GLY 69 -11.674 -0.816 -9.806 285 2HA GLY 69 2HA GLY 69 -12.539 0.657 -9.351 286 H SER 70 H SER 70 -10.425 1.142 -7.118 287 HA SER 70 HA SER 70 -8.830 2.912 -8.543 288 1HB SER 70 2HB SER 70 -8.113 1.628 -5.878 289 2HB SER 70 3HB SER 70 -7.589 3.204 -6.519 290 HG SER 70 HG SER 70 -9.497 3.088 -4.991 291 H MET 71 H MET 71 -8.365 -0.505 -8.346 292 HA MET 71 HA MET 71 -5.529 -0.684 -8.730 293 1HB MET 71 2HB MET 71 -6.678 -2.657 -8.126 294 2HB MET 71 3HB MET 71 -7.931 -2.418 -9.344 295 1HG MET 71 2HG MET 71 -6.820 -3.392 -10.966 296 2HG MET 71 3HG MET 71 -5.248 -2.700 -10.564 297 1HE MET 71 1HE MET 71 -3.678 -4.967 -8.067 298 2HE MET 71 2HE MET 71 -3.432 -3.664 -9.246 299 3HE MET 71 3HE MET 71 -4.513 -3.432 -7.849 300 H VAL 72 H VAL 72 -4.355 -0.030 -10.450 301 HA VAL 72 HA VAL 72 -5.588 -0.275 -13.134 302 HB VAL 72 HB VAL 72 -4.410 1.711 -13.933 303 1HG1 VAL 72 1HG1 VAL 72 -5.989 3.355 -13.070 304 2HG1 VAL 72 2HG1 VAL 72 -6.813 1.800 -13.269 305 3HG1 VAL 72 3HG1 VAL 72 -6.331 2.352 -11.651 306 1HG2 VAL 72 1HG2 VAL 72 -2.654 2.002 -12.281 307 2HG2 VAL 72 2HG2 VAL 72 -3.672 3.450 -12.316 308 3HG2 VAL 72 3HG2 VAL 72 -3.852 2.287 -10.989 309 H ARG 73 H ARG 73 -4.365 -1.419 -14.488 310 HA ARG 73 HA ARG 73 -1.694 -2.313 -13.543 311 1HB ARG 73 2HB ARG 73 -2.133 -4.463 -14.545 312 2HB ARG 73 3HB ARG 73 -3.425 -4.101 -13.384 313 1HG ARG 73 2HG ARG 73 -4.888 -3.449 -15.342 314 2HG ARG 73 3HG ARG 73 -3.559 -3.921 -16.427 315 1HD ARG 73 2HD ARG 73 -3.575 -6.198 -15.345 316 2HD ARG 73 3HD ARG 73 -5.065 -5.716 -14.492 317 HE ARG 73 HE ARG 73 -5.419 -5.192 -17.249 318 1HH1 ARG 73 2HH2 ARG 73 -5.027 -7.958 -15.113 319 2HH1 ARG 73 1HH2 ARG 73 -5.789 -9.109 -16.167 320 1HH2 ARG 73 1HH1 ARG 73 -6.438 -6.683 -18.703 321 2HH2 ARG 73 2HH1 ARG 73 -6.625 -8.349 -18.263 322 H ASP 74 H ASP 74 -0.014 -2.419 -15.114 323 HA ASP 74 HA ASP 74 -0.552 -0.765 -17.471 324 1HB ASP 74 2HB ASP 74 1.876 -1.983 -16.175 325 2HB ASP 74 3HB ASP 74 1.926 -1.524 -17.871 326 HA PRO 75 HA PRO 75 -1.021 -4.315 -20.253 327 1HB PRO 75 2HB PRO 75 -0.132 -3.239 -22.605 328 2HB PRO 75 3HB PRO 75 -1.701 -2.802 -21.871 329 1HG PRO 75 2HG PRO 75 0.917 -1.291 -21.651 330 2HG PRO 75 3HG PRO 75 -0.693 -0.637 -22.069 331 1HD PRO 75 2HD PRO 75 0.311 -0.500 -19.550 332 2HD PRO 75 3HD PRO 75 -1.433 -0.795 -19.817 333 H ASN 76 H ASN 76 1.959 -2.488 -19.794 334 HA ASN 76 HA ASN 76 3.980 -3.928 -20.890 335 1HB ASN 76 2HB ASN 76 4.024 -3.172 -17.952 336 2HB ASN 76 3HB ASN 76 5.403 -3.260 -19.057 337 1HD2 ASN 76 1HD2 ASN 76 4.559 -1.072 -17.322 338 2HD2 ASN 76 2HD2 ASN 76 3.757 0.174 -18.213 339 H SER 77 H SER 77 2.074 -4.812 -18.051 340 HA SER 77 HA SER 77 1.459 -6.774 -17.227 341 1HB SER 77 2HB SER 77 3.450 -8.239 -19.009 342 2HB SER 77 3HB SER 77 2.137 -8.928 -18.073 343 HG SER 77 HG SER 77 1.706 -6.960 -20.095 344 H LEU 78 H LEU 78 4.263 -5.266 -16.657 345 HA LEU 78 HA LEU 78 4.827 -7.033 -14.320 346 1HB LEU 78 2HB LEU 78 7.148 -6.250 -14.341 347 2HB LEU 78 3HB LEU 78 6.711 -7.353 -15.627 348 HG LEU 78 HG LEU 78 8.295 -5.402 -16.114 349 1HD1 LEU 78 1HD1 LEU 78 7.463 -5.167 -18.435 350 2HD1 LEU 78 2HD1 LEU 78 7.509 -6.840 -17.855 351 3HD1 LEU 78 3HD1 LEU 78 5.969 -5.982 -17.952 352 1HD2 LEU 78 1HD2 LEU 78 5.722 -3.799 -16.357 353 2HD2 LEU 78 2HD2 LEU 78 6.995 -3.581 -15.130 354 3HD2 LEU 78 3HD2 LEU 78 7.345 -3.296 -16.842 355 H HIS 79 H HID 79 3.240 -4.270 -14.985 356 HA HIS 79 HA HID 79 4.101 -3.019 -12.424 357 1HB HIS 79 2HB HID 79 3.785 -1.736 -15.139 358 2HB HIS 79 3HB HID 79 3.340 -0.835 -13.690 359 HD1 HIS 79 1HD HID 79 5.600 -1.268 -11.708 360 HD2 HIS 79 2HD HID 79 6.100 -0.887 -15.875 361 HE1 HIS 79 1HE HID 79 7.976 -0.415 -12.087 362 H VAL 80 H VAL 80 2.511 -2.496 -11.096 363 HA VAL 80 HA VAL 80 -0.240 -2.218 -11.970 364 HB VAL 80 HB VAL 80 -0.936 -3.893 -10.139 365 1HG1 VAL 80 1HG1 VAL 80 -1.338 -4.264 -12.484 366 2HG1 VAL 80 2HG1 VAL 80 0.218 -5.109 -12.666 367 3HG1 VAL 80 3HG1 VAL 80 -1.060 -5.774 -11.630 368 1HG2 VAL 80 1HG2 VAL 80 1.979 -4.694 -10.323 369 2HG2 VAL 80 2HG2 VAL 80 0.810 -4.750 -8.983 370 3HG2 VAL 80 3HG2 VAL 80 0.760 -5.958 -10.255 371 H GLN 81 H GLN 81 -1.302 -0.750 -10.613 372 HA GLN 81 HA GLN 81 -0.122 -0.349 -7.920 373 1HB GLN 81 2HB GLN 81 -0.044 2.072 -8.182 374 2HB GLN 81 3HB GLN 81 1.029 1.279 -9.357 375 1HG GLN 81 2HG GLN 81 -0.736 1.510 -11.093 376 2HG GLN 81 3HG GLN 81 -1.761 2.347 -9.902 377 1HE2 GLN 81 1HE2 GLN 81 -1.765 4.090 -11.564 378 2HE2 GLN 81 2HE2 GLN 81 -0.378 5.160 -11.625 379 H PHE 82 H PHE 82 -1.574 0.794 -6.455 380 HA PHE 82 HA PHE 82 -4.378 0.985 -7.291 381 1HB PHE 82 2HB PHE 82 -5.128 -0.796 -5.755 382 2HB PHE 82 3HB PHE 82 -4.111 -1.397 -7.027 383 HD1 PHE 82 1HD PHE 82 -2.304 -2.829 -6.564 384 HD2 PHE 82 2HD PHE 82 -3.856 -0.314 -3.413 385 HE1 PHE 82 1HE PHE 82 -1.072 -4.153 -4.885 386 HE2 PHE 82 2HE PHE 82 -2.522 -1.568 -1.763 387 HZ PHE 82 HZ PHE 82 -1.313 -3.619 -2.460 388 H ALA 83 H ALA 83 -5.703 1.933 -5.680 389 HA ALA 83 HA ALA 83 -4.212 3.321 -3.511 390 1HB ALA 83 1HB ALA 83 -5.540 4.750 -5.099 391 2HB ALA 83 2HB ALA 83 -7.010 3.954 -4.476 392 3HB ALA 83 3HB ALA 83 -5.979 4.886 -3.388 393 H VAL 84 H VAL 84 -4.941 3.208 -1.415 394 HA VAL 84 HA VAL 84 -7.011 1.172 -0.752 395 HB VAL 84 HB VAL 84 -4.821 0.037 -0.772 396 1HG1 VAL 84 1HG1 VAL 84 -3.342 1.939 -0.267 397 2HG1 VAL 84 2HG1 VAL 84 -4.003 2.019 1.379 398 3HG1 VAL 84 3HG1 VAL 84 -3.073 0.601 0.859 399 1HG2 VAL 84 1HG2 VAL 84 -6.534 -0.691 0.856 400 2HG2 VAL 84 2HG2 VAL 84 -4.894 -0.936 1.475 401 3HG2 VAL 84 3HG2 VAL 84 -5.876 0.421 2.051 402 H HIS 85 H HID 85 -7.917 1.443 1.460 403 HA HIS 85 HA HID 85 -7.381 4.059 2.661 404 1HB HIS 85 2HB HID 85 -9.747 4.753 2.470 405 2HB HIS 85 3HB HID 85 -9.071 4.483 0.868 406 HD1 HIS 85 1HD HID 85 -11.996 3.604 2.938 407 HD2 HIS 85 2HD HID 85 -9.764 1.900 -0.188 408 HE1 HIS 85 1HE HID 85 -13.519 1.896 1.794 409 H ASP 86 H ASP 86 -9.224 4.338 4.574 410 HA ASP 86 HA ASP 86 -9.548 1.704 5.854 411 1HB ASP 86 2HB ASP 86 -7.382 3.083 6.568 412 2HB ASP 86 3HB ASP 86 -8.578 4.021 7.490 413 H SER 87 H SER 87 -10.634 2.440 8.176 414 HA SER 87 HA SER 87 -13.197 3.735 7.607 415 1HB SER 87 2HB SER 87 -11.896 2.597 10.125 416 2HB SER 87 3HB SER 87 -13.572 3.167 10.024 417 HG SER 87 HG SER 87 -13.866 1.583 8.335 418 H LEU 88 H LEU 88 -10.364 5.214 7.706 419 HA LEU 88 HA LEU 88 -11.283 7.421 9.459 420 1HB LEU 88 2HB LEU 88 -8.781 5.906 9.435 421 2HB LEU 88 3HB LEU 88 -8.463 7.623 9.239 422 HG LEU 88 HG LEU 88 -10.376 6.755 11.408 423 1HD1 LEU 88 1HD1 LEU 88 -8.472 5.266 11.716 424 2HD1 LEU 88 2HD1 LEU 88 -7.340 6.632 11.601 425 3HD1 LEU 88 3HD1 LEU 88 -8.477 6.522 12.966 426 1HD2 LEU 88 1HD2 LEU 88 -9.991 9.189 10.850 427 2HD2 LEU 88 2HD2 LEU 88 -9.490 8.769 12.501 428 3HD2 LEU 88 3HD2 LEU 88 -8.270 8.968 11.228 429 H GLY 89 H GLY 89 -11.890 6.929 6.656 430 1HA GLY 89 1HA GLY 89 -12.104 8.166 4.733 431 2HA GLY 89 2HA GLY 89 -12.020 9.563 5.822 432 H GLY 90 H GLY 90 -9.474 7.191 5.165 433 1HA GLY 90 1HA GLY 90 -7.631 9.346 4.179 434 2HA GLY 90 2HA GLY 90 -7.225 7.949 5.214 435 H GLU 91 H GLU 91 -6.765 8.900 2.150 436 HA GLU 91 HA GLU 91 -6.992 6.158 1.014 437 1HB GLU 91 2HB GLU 91 -8.618 7.690 -0.003 438 2HB GLU 91 3HB GLU 91 -7.343 8.858 -0.379 439 1HG GLU 91 2HG GLU 91 -7.132 6.018 -1.419 440 2HG GLU 91 3HG GLU 91 -8.225 7.170 -2.196 441 H ILE 92 H ILE 92 -5.003 5.378 0.343 442 HA ILE 92 HA ILE 92 -2.858 7.325 -0.188 443 HB ILE 92 HB ILE 92 -2.912 6.012 2.226 444 1HG1 ILE 92 2HG1 ILE 92 -1.555 7.906 1.861 445 2HG1 ILE 92 3HG1 ILE 92 -0.582 6.593 2.517 446 1HG2 ILE 92 1HG2 ILE 92 -1.053 4.312 0.526 447 2HG2 ILE 92 2HG2 ILE 92 -1.238 4.278 2.288 448 3HG2 ILE 92 3HG2 ILE 92 -2.593 3.814 1.254 449 1HD1 ILE 92 1HD1 ILE 92 0.731 7.681 0.887 450 2HD1 ILE 92 2HD1 ILE 92 0.248 6.156 0.126 451 3HD1 ILE 92 3HD1 ILE 92 -0.552 7.689 -0.316 452 H LEU 93 H LEU 93 -1.361 6.594 -1.704 453 HA LEU 93 HA LEU 93 -2.464 4.524 -3.486 454 1HB LEU 93 2HB LEU 93 -1.485 7.209 -3.876 455 2HB LEU 93 3HB LEU 93 -0.439 6.125 -4.795 456 HG LEU 93 HG LEU 93 -3.484 6.200 -4.997 457 1HD1 LEU 93 1HD1 LEU 93 -1.346 7.429 -6.808 458 2HD1 LEU 93 2HD1 LEU 93 -3.086 7.378 -7.147 459 3HD1 LEU 93 3HD1 LEU 93 -2.486 8.334 -5.779 460 1HD2 LEU 93 1HD2 LEU 93 -2.419 4.055 -5.701 461 2HD2 LEU 93 2HD2 LEU 93 -3.037 4.931 -7.108 462 3HD2 LEU 93 3HD2 LEU 93 -1.296 4.945 -6.737 463 H VAL 94 H VAL 94 -1.329 2.702 -3.909 464 HA VAL 94 HA VAL 94 1.486 2.494 -2.947 465 HB VAL 94 HB VAL 94 -0.699 0.379 -2.998 466 1HG1 VAL 94 1HG1 VAL 94 0.931 -0.910 -1.624 467 2HG1 VAL 94 2HG1 VAL 94 1.539 -0.580 -3.254 468 3HG1 VAL 94 3HG1 VAL 94 2.139 0.368 -1.875 469 1HG2 VAL 94 1HG2 VAL 94 -0.660 0.528 -0.532 470 2HG2 VAL 94 2HG2 VAL 94 0.446 1.909 -0.619 471 3HG2 VAL 94 3HG2 VAL 94 -1.204 2.046 -1.248 472 H THR 95 H THR 95 2.926 1.985 -4.535 473 HA THR 95 HA THR 95 1.920 1.055 -7.179 474 HB THR 95 HB THR 95 4.205 1.681 -7.935 475 HG1 THR 95 1HG THR 95 5.199 1.536 -5.834 476 1HG2 THR 95 1HG2 THR 95 2.785 3.959 -6.477 477 2HG2 THR 95 2HG2 THR 95 3.861 4.092 -7.881 478 3HG2 THR 95 3HG2 THR 95 2.283 3.301 -8.048 479 H TYR 96 H TYR 96 2.865 -0.824 -8.152 480 HA TYR 96 HA TYR 96 4.517 -2.557 -6.459 481 1HB TYR 96 2HB TYR 96 1.815 -2.745 -6.298 482 2HB TYR 96 3HB TYR 96 2.045 -3.600 -7.798 483 HD1 TYR 96 HD1 TYR 96 3.390 -5.777 -7.788 484 HD2 TYR 96 HD2 TYR 96 2.094 -3.763 -4.220 485 HE1 TYR 96 HE1 TYR 96 3.658 -7.877 -6.519 486 HE2 TYR 96 HE2 TYR 96 2.365 -5.877 -2.946 487 HH TYR 96 HH TYR 96 3.786 -8.639 -4.081 488 H ASP 97 H ASP 97 5.141 -4.604 -7.858 489 HA ASP 97 HA ASP 97 5.449 -4.121 -10.633 490 1HB ASP 97 2HB ASP 97 8.048 -4.344 -10.097 491 2HB ASP 97 3HB ASP 97 7.257 -2.765 -10.141 492 H ASP 98 H ASP 98 6.259 -5.896 -11.485 493 HA ASP 98 HA ASP 98 6.344 -8.079 -12.069 494 1HB ASP 98 2HB ASP 98 7.401 -8.443 -9.239 495 2HB ASP 98 3HB ASP 98 7.322 -9.698 -10.477 496 H LEU 99 H LEU 99 3.956 -7.465 -12.029 497 HA LEU 99 HA LEU 99 1.786 -8.020 -11.716 498 1HB LEU 99 2HB LEU 99 3.142 -10.733 -11.527 499 2HB LEU 99 3HB LEU 99 1.393 -10.563 -11.621 500 HG LEU 99 HG LEU 99 2.637 -8.948 -13.676 501 1HD1 LEU 99 1HD1 LEU 99 3.127 -11.954 -13.740 502 2HD1 LEU 99 2HD1 LEU 99 3.345 -10.837 -15.106 503 3HD1 LEU 99 3HD1 LEU 99 4.366 -10.677 -13.665 504 1HD2 LEU 99 1HD2 LEU 99 0.656 -11.261 -13.774 505 2HD2 LEU 99 2HD2 LEU 99 0.228 -9.553 -13.532 506 3HD2 LEU 99 3HD2 LEU 99 0.964 -10.076 -15.059 507 H LEU 100 H LEU 100 0.833 -10.243 -9.806 508 HA LEU 100 HA LEU 100 1.484 -9.109 -7.222 509 1HB LEU 100 2HB LEU 100 -1.165 -8.840 -8.711 510 2HB LEU 100 3HB LEU 100 -1.217 -9.033 -6.965 511 HG LEU 100 HG LEU 100 0.565 -6.886 -8.137 512 1HD1 LEU 100 1HD1 LEU 100 -1.398 -6.217 -9.206 513 2HD1 LEU 100 2HD1 LEU 100 -2.408 -6.859 -7.918 514 3HD1 LEU 100 3HD1 LEU 100 -1.481 -5.366 -7.646 515 1HD2 LEU 100 1HD2 LEU 100 0.226 -5.827 -6.027 516 2HD2 LEU 100 2HD2 LEU 100 -1.024 -6.995 -5.572 517 3HD2 LEU 100 3HD2 LEU 100 0.651 -7.522 -5.731 518 HA PRO 101 HA PRO 101 1.020 -13.414 -6.409 519 1HB PRO 101 2HB PRO 101 0.369 -13.489 -3.734 520 2HB PRO 101 3HB PRO 101 1.932 -12.890 -4.345 521 1HG PRO 101 2HG PRO 101 -0.475 -11.213 -3.569 522 2HG PRO 101 3HG PRO 101 1.203 -10.926 -3.134 523 1HD PRO 101 2HD PRO 101 0.087 -9.640 -5.176 524 2HD PRO 101 3HD PRO 101 1.804 -10.165 -5.221 525 H ASP 102 H ASP 102 -1.597 -12.511 -4.177 526 HA ASP 102 HA ASP 102 -3.508 -14.297 -5.310 527 1HB ASP 102 2HB ASP 102 -3.920 -11.953 -3.413 528 2HB ASP 102 3HB ASP 102 -4.957 -13.378 -3.582 529 H LEU 103 H LEU 103 -2.661 -12.453 -7.396 530 HA LEU 103 HA LEU 103 -3.210 -10.878 -8.860 531 1HB LEU 103 2HB LEU 103 -5.019 -12.476 -9.211 532 2HB LEU 103 3HB LEU 103 -6.028 -11.621 -8.056 533 HG LEU 103 HG LEU 103 -5.335 -9.621 -9.952 534 1HD1 LEU 103 1HD1 LEU 103 -5.953 -10.572 -12.092 535 2HD1 LEU 103 2HD1 LEU 103 -4.472 -11.336 -11.485 536 3HD1 LEU 103 3HD1 LEU 103 -6.027 -12.200 -11.392 537 1HD2 LEU 103 1HD2 LEU 103 -7.698 -9.748 -10.496 538 2HD2 LEU 103 2HD2 LEU 103 -7.804 -11.350 -9.721 539 3HD2 LEU 103 3HD2 LEU 103 -7.433 -9.906 -8.749 540 H PHE 104 H PHE 104 -4.277 -10.218 -5.597 541 HA PHE 104 HA PHE 104 -4.996 -8.411 -4.484 542 1HB PHE 104 2HB PHE 104 -3.187 -7.056 -5.479 543 2HB PHE 104 3HB PHE 104 -4.245 -6.701 -6.849 544 HD1 PHE 104 1HD PHE 104 -6.131 -5.191 -6.720 545 HD2 PHE 104 2HD PHE 104 -3.571 -5.929 -3.326 546 HE1 PHE 104 1HE PHE 104 -6.874 -3.072 -5.705 547 HE2 PHE 104 2HE PHE 104 -4.283 -3.771 -2.351 548 HZ PHE 104 HZ PHE 104 -5.854 -2.302 -3.571 549 H ARG 105 H ARG 105 -6.986 -9.434 -4.612 550 HA ARG 105 HA ARG 105 -8.856 -8.816 -6.820 551 1HB ARG 105 2HB ARG 105 -9.188 -10.205 -4.144 552 2HB ARG 105 3HB ARG 105 -10.400 -10.182 -5.434 553 1HG ARG 105 2HG ARG 105 -9.200 -11.678 -6.781 554 2HG ARG 105 3HG ARG 105 -7.646 -11.221 -6.114 555 1HD ARG 105 2HD ARG 105 -7.861 -13.314 -5.176 556 2HD ARG 105 3HD ARG 105 -8.357 -12.261 -3.883 557 HE ARG 105 HE ARG 105 -10.458 -13.163 -3.917 558 1HH1 ARG 105 2HH2 ARG 105 -8.845 -13.913 -6.936 559 2HH1 ARG 105 1HH2 ARG 105 -9.977 -15.122 -7.465 560 1HH2 ARG 105 1HH1 ARG 105 -12.027 -14.740 -4.559 561 2HH2 ARG 105 2HH1 ARG 105 -11.885 -15.552 -6.086 562 H GLU 106 H GLU 106 -10.074 -6.927 -6.755 563 HA GLU 106 HA GLU 106 -9.577 -5.114 -4.591 564 1HB GLU 106 2HB GLU 106 -11.520 -4.746 -6.900 565 2HB GLU 106 3HB GLU 106 -10.649 -3.529 -5.955 566 1HG GLU 106 2HG GLU 106 -9.295 -3.481 -7.733 567 2HG GLU 106 3HG GLU 106 -8.501 -4.828 -6.917 568 H GLY 107 H GLY 107 -11.482 -3.758 -3.690 569 1HA GLY 107 1HA GLY 107 -13.341 -3.600 -2.380 570 2HA GLY 107 2HA GLY 107 -14.081 -4.829 -3.417 571 H GLN 108 H GLN 108 -11.260 -5.087 -1.148 572 HA GLN 108 HA GLN 108 -12.777 -6.465 0.879 573 1HB GLN 108 2HB GLN 108 -11.331 -8.517 0.773 574 2HB GLN 108 3HB GLN 108 -12.422 -8.334 -0.603 575 1HG GLN 108 2HG GLN 108 -10.539 -7.377 -1.947 576 2HG GLN 108 3HG GLN 108 -9.453 -7.617 -0.570 577 1HE2 GLN 108 1HE2 GLN 108 -11.946 -9.528 -2.358 578 2HE2 GLN 108 2HE2 GLN 108 -10.964 -10.985 -2.420 579 H GLY 109 H GLY 109 -10.849 -7.290 2.515 580 1HA GLY 109 1HA GLY 109 -8.995 -4.983 2.809 581 2HA GLY 109 2HA GLY 109 -9.479 -6.064 4.101 582 H ILE 110 H ILE 110 -6.844 -5.269 2.620 583 HA ILE 110 HA ILE 110 -5.730 -7.995 2.596 584 HB ILE 110 HB ILE 110 -4.535 -7.805 0.542 585 1HG1 ILE 110 2HG1 ILE 110 -5.445 -5.703 -0.953 586 2HG1 ILE 110 3HG1 ILE 110 -5.184 -4.938 0.623 587 1HG2 ILE 110 1HG2 ILE 110 -6.271 -7.941 -1.109 588 2HG2 ILE 110 2HG2 ILE 110 -6.949 -8.575 0.397 589 3HG2 ILE 110 3HG2 ILE 110 -7.357 -6.932 -0.140 590 1HD1 ILE 110 1HD1 ILE 110 -2.856 -6.030 0.597 591 2HD1 ILE 110 2HD1 ILE 110 -3.235 -6.601 -1.041 592 3HD1 ILE 110 3HD1 ILE 110 -3.131 -4.859 -0.702 593 H VAL 111 H VAL 111 -3.307 -7.871 2.790 594 HA VAL 111 HA VAL 111 -2.471 -5.285 4.066 595 HB VAL 111 HB VAL 111 -1.226 -6.443 5.687 596 1HG1 VAL 111 1HG1 VAL 111 -3.680 -5.936 6.090 597 2HG1 VAL 111 2HG1 VAL 111 -4.039 -7.620 5.684 598 3HG1 VAL 111 3HG1 VAL 111 -3.021 -7.243 7.085 599 1HG2 VAL 111 1HG2 VAL 111 -0.636 -8.530 4.586 600 2HG2 VAL 111 2HG2 VAL 111 -1.489 -8.888 6.088 601 3HG2 VAL 111 3HG2 VAL 111 -2.339 -9.040 4.537 602 H ALA 112 H ALA 112 -0.806 -4.353 3.139 603 HA ALA 112 HA ALA 112 0.713 -5.806 1.023 604 1HB ALA 112 1HB ALA 112 0.302 -2.825 1.168 605 2HB ALA 112 2HB ALA 112 0.840 -3.780 -0.197 606 3HB ALA 112 3HB ALA 112 -0.857 -3.866 0.344 607 H GLN 113 H GLN 113 2.916 -5.803 1.141 608 HA GLN 113 HA GLN 113 4.233 -4.255 3.304 609 1HB GLN 113 2HB GLN 113 3.989 -6.528 4.037 610 2HB GLN 113 3HB GLN 113 4.356 -7.183 2.457 611 1HG GLN 113 2HG GLN 113 6.723 -6.607 2.668 612 2HG GLN 113 3HG GLN 113 6.422 -5.964 4.285 613 1HE2 GLN 113 1HE2 GLN 113 7.244 -8.894 2.492 614 2HE2 GLN 113 2HE2 GLN 113 6.837 -9.991 3.760 615 H GLY 114 H GLY 114 6.227 -3.318 2.742 616 1HA GLY 114 1HA GLY 114 8.035 -4.316 0.966 617 2HA GLY 114 2HA GLY 114 7.103 -3.225 -0.050 618 H VAL 115 H VAL 115 7.887 -1.120 -0.064 619 HA VAL 115 HA VAL 115 9.274 -0.146 2.339 620 HB VAL 115 HB VAL 115 10.905 -1.358 0.839 621 1HG1 VAL 115 1HG1 VAL 115 11.595 -0.427 -1.273 622 2HG1 VAL 115 2HG1 VAL 115 9.858 -0.754 -1.349 623 3HG1 VAL 115 3HG1 VAL 115 10.444 0.911 -1.132 624 1HG2 VAL 115 1HG2 VAL 115 12.637 0.399 0.766 625 2HG2 VAL 115 2HG2 VAL 115 11.425 1.614 1.196 626 3HG2 VAL 115 3HG2 VAL 115 11.819 0.288 2.321 627 H LEU 116 H LEU 116 9.486 2.130 2.398 628 HA LEU 116 HA LEU 116 7.336 3.619 1.199 629 1HB LEU 116 2HB LEU 116 9.919 4.283 2.630 630 2HB LEU 116 3HB LEU 116 9.000 5.567 1.846 631 HG LEU 116 HG LEU 116 8.524 5.279 4.301 632 1HD1 LEU 116 1HD1 LEU 116 6.118 4.864 2.493 633 2HD1 LEU 116 2HD1 LEU 116 6.165 5.660 4.072 634 3HD1 LEU 116 3HD1 LEU 116 7.002 6.388 2.673 635 1HD2 LEU 116 1HD2 LEU 116 6.936 3.584 5.033 636 2HD2 LEU 116 2HD2 LEU 116 7.009 2.765 3.470 637 3HD2 LEU 116 3HD2 LEU 116 8.443 2.829 4.528 638 H GLY 117 H GLY 117 7.298 5.077 -0.621 639 1HA GLY 117 1HA GLY 117 9.058 4.068 -2.770 640 2HA GLY 117 2HA GLY 117 7.583 5.031 -2.907 641 H GLU 118 H GLU 118 8.089 6.963 -3.766 642 HA GLU 118 HA GLU 118 10.640 8.200 -3.706 643 1HB GLU 118 2HB GLU 118 8.877 8.545 -5.412 644 2HB GLU 118 3HB GLU 118 7.869 9.401 -4.243 645 1HG GLU 118 2HG GLU 118 9.526 11.182 -4.051 646 2HG GLU 118 3HG GLU 118 10.664 10.278 -5.065 647 H ASP 119 H ASP 119 7.642 9.285 -2.140 648 HA ASP 119 HA ASP 119 8.924 9.716 0.462 649 1HB ASP 119 2HB ASP 119 8.000 11.995 -1.332 650 2HB ASP 119 3HB ASP 119 7.659 12.085 0.404 651 H GLY 120 H GLY 120 6.068 10.979 -1.138 652 1HA GLY 120 1HA GLY 120 4.272 10.249 0.957 653 2HA GLY 120 2HA GLY 120 3.828 10.885 -0.628 654 H LYS 121 H LYS 121 5.016 8.817 -2.210 655 HA LYS 121 HA LYS 121 2.784 6.904 -2.104 656 1HB LYS 121 2HB LYS 121 4.885 7.760 -4.078 657 2HB LYS 121 3HB LYS 121 4.308 6.110 -4.209 658 1HG LYS 121 2HG LYS 121 3.130 7.631 -5.676 659 2HG LYS 121 3HG LYS 121 2.051 6.774 -4.593 660 1HD LYS 121 2HD LYS 121 2.993 9.516 -3.723 661 2HD LYS 121 3HD LYS 121 1.978 9.455 -5.148 662 1HE LYS 121 2HE LYS 121 0.673 7.777 -3.214 663 2HE LYS 121 3HE LYS 121 1.209 9.186 -2.333 664 1HZ LYS 121 1HZ LYS 121 -0.973 9.496 -3.250 665 2HZ LYS 121 2HZ LYS 121 0.062 10.573 -3.924 666 3HZ LYS 121 3HZ LYS 121 -0.429 9.252 -4.778 667 H LEU 122 H LEU 122 3.075 4.612 -2.177 668 HA LEU 122 HA LEU 122 5.375 3.638 -0.520 669 1HB LEU 122 2HB LEU 122 2.437 2.955 -0.738 670 2HB LEU 122 3HB LEU 122 3.572 1.754 -0.135 671 HG LEU 122 HG LEU 122 2.290 3.108 1.585 672 1HD1 LEU 122 1HD1 LEU 122 5.297 2.815 1.628 673 2HD1 LEU 122 2HD1 LEU 122 4.358 3.314 3.047 674 3HD1 LEU 122 3HD1 LEU 122 4.066 1.735 2.293 675 1HD2 LEU 122 1HD2 LEU 122 4.302 5.303 1.007 676 2HD2 LEU 122 2HD2 LEU 122 2.580 5.358 0.560 677 3HD2 LEU 122 3HD2 LEU 122 3.054 5.264 2.261 678 H ALA 123 H ALA 123 6.564 1.891 -1.329 679 HA ALA 123 HA ALA 123 5.761 0.802 -3.996 680 1HB ALA 123 1HB ALA 123 7.887 1.987 -4.079 681 2HB ALA 123 2HB ALA 123 8.493 1.074 -2.683 682 3HB ALA 123 3HB ALA 123 8.155 0.238 -4.215 683 H ALA 124 H ALA 124 4.396 -0.826 -3.260 684 HA ALA 124 HA ALA 124 5.394 -2.646 -1.106 685 1HB ALA 124 1HB ALA 124 3.201 -3.684 -1.207 686 2HB ALA 124 2HB ALA 124 3.116 -1.955 -0.810 687 3HB ALA 124 3HB ALA 124 2.701 -2.514 -2.448 688 H THR 125 H THR 125 5.989 -4.787 -1.665 689 HA THR 125 HA THR 125 5.317 -5.667 -4.424 690 HB THR 125 HB THR 125 7.542 -4.827 -4.689 691 HG1 THR 125 1HG THR 125 6.890 -6.643 -5.887 692 1HG2 THR 125 1HG2 THR 125 8.355 -6.916 -2.616 693 2HG2 THR 125 2HG2 THR 125 9.455 -5.960 -3.627 694 3HG2 THR 125 3HG2 THR 125 8.449 -5.148 -2.412 695 H GLU 126 H GLU 126 5.008 -6.371 -1.143 696 HA GLU 126 HA GLU 126 4.283 -9.172 -1.916 697 1HB GLU 126 2HB GLU 126 5.548 -8.202 0.671 698 2HB GLU 126 3HB GLU 126 4.859 -9.809 0.380 699 1HG GLU 126 2HG GLU 126 6.512 -10.094 -1.520 700 2HG GLU 126 3HG GLU 126 7.267 -8.569 -1.020 701 H VAL 127 H VAL 127 2.076 -8.654 -2.255 702 HA VAL 127 HA VAL 127 0.681 -7.714 0.226 703 HB VAL 127 HB VAL 127 -1.329 -7.606 -1.055 704 1HG1 VAL 127 1HG1 VAL 127 -0.809 -5.475 -1.184 705 2HG1 VAL 127 2HG1 VAL 127 0.920 -5.813 -1.317 706 3HG1 VAL 127 3HG1 VAL 127 -0.091 -5.733 -2.777 707 1HG2 VAL 127 1HG2 VAL 127 -1.396 -7.628 -3.465 708 2HG2 VAL 127 2HG2 VAL 127 0.320 -8.110 -3.520 709 3HG2 VAL 127 3HG2 VAL 127 -0.915 -9.195 -2.824 710 H LEU 128 H LEU 128 -0.855 -8.867 1.259 711 HA LEU 128 HA LEU 128 -1.092 -11.760 0.517 712 1HB LEU 128 2HB LEU 128 -1.094 -10.647 3.332 713 2HB LEU 128 3HB LEU 128 -1.083 -12.321 2.810 714 HG LEU 128 HG LEU 128 0.978 -11.875 3.765 715 1HD1 LEU 128 1HD1 LEU 128 2.586 -12.474 2.184 716 2HD1 LEU 128 2HD1 LEU 128 1.061 -13.169 1.584 717 3HD1 LEU 128 3HD1 LEU 128 1.741 -11.695 0.852 718 1HD2 LEU 128 1HD2 LEU 128 1.071 -9.406 3.659 719 2HD2 LEU 128 2HD2 LEU 128 2.588 -10.196 3.246 720 3HD2 LEU 128 3HD2 LEU 128 1.595 -9.501 1.971 721 H ALA 129 H ALA 129 -3.189 -11.947 -0.229 722 HA ALA 129 HA ALA 129 -5.266 -10.076 0.811 723 1HB ALA 129 1HB ALA 129 -5.366 -11.921 -1.584 724 2HB ALA 129 2HB ALA 129 -6.476 -10.601 -1.196 725 3HB ALA 129 3HB ALA 129 -4.800 -10.232 -1.653 726 H LYS 130 H LYS 130 -4.498 -12.024 2.564 727 HA LYS 130 HA LYS 130 -6.140 -14.398 2.469 728 1HB LYS 130 2HB LYS 130 -5.202 -14.800 4.715 729 2HB LYS 130 3HB LYS 130 -3.986 -14.366 3.514 730 1HG LYS 130 2HG LYS 130 -4.351 -11.887 4.503 731 2HG LYS 130 3HG LYS 130 -4.969 -12.755 5.890 732 1HD LYS 130 2HD LYS 130 -2.265 -13.412 4.658 733 2HD LYS 130 3HD LYS 130 -2.480 -12.076 5.799 734 1HE LYS 130 2HE LYS 130 -3.383 -13.605 7.508 735 2HE LYS 130 3HE LYS 130 -3.240 -14.977 6.395 736 1HZ LYS 130 1HZ LYS 130 -0.993 -13.350 7.397 737 2HZ LYS 130 2HZ LYS 130 -1.405 -14.848 7.935 738 3HZ LYS 130 3HZ LYS 130 -0.866 -14.652 6.394 739 H HIS 131 H HID 131 -8.254 -13.138 2.025 740 HA HIS 131 HA HID 131 -9.518 -12.394 4.644 741 1HB HIS 131 2HB HID 131 -8.508 -10.497 3.089 742 2HB HIS 131 3HB HID 131 -10.016 -10.668 2.207 743 HD1 HIS 131 1HD HID 131 -12.097 -9.511 3.401 744 HD2 HIS 131 2HD HID 131 -8.656 -9.908 5.787 745 HE1 HIS 131 1HE HID 131 -12.491 -8.097 5.509 746 H ASP 132 H ASP 132 -9.866 -14.827 3.462 747 HA ASP 132 HA ASP 132 -12.626 -14.739 2.299 748 1HB ASP 132 2HB ASP 132 -10.365 -16.731 1.877 749 2HB ASP 132 3HB ASP 132 -11.977 -16.810 1.156 Start of MODEL 19 1 H SER 32 H SER 32 16.643 -2.179 16.989 2 HA SER 32 HA SER 32 16.223 -0.458 15.140 3 1HB SER 32 2HB SER 32 15.258 -3.329 14.848 4 2HB SER 32 3HB SER 32 15.661 -2.229 13.514 5 HG SER 32 HG SER 32 17.499 -3.397 13.995 6 H ASN 33 H ASN 33 13.306 -2.409 15.999 7 HA ASN 33 HA ASN 33 11.103 -2.118 15.514 8 1HB ASN 33 2HB ASN 33 11.499 -0.379 17.249 9 2HB ASN 33 3HB ASN 33 11.801 0.810 15.980 10 1HD2 ASN 33 1HD2 ASN 33 10.026 2.100 16.768 11 2HD2 ASN 33 2HD2 ASN 33 8.364 1.595 16.502 12 H LEU 34 H LEU 34 12.028 -2.661 13.145 13 HA LEU 34 HA LEU 34 10.653 -0.688 11.373 14 1HB LEU 34 2HB LEU 34 13.193 -2.148 10.843 15 2HB LEU 34 3HB LEU 34 11.993 -2.144 9.556 16 HG LEU 34 HG LEU 34 11.778 0.413 9.928 17 1HD1 LEU 34 1HD1 LEU 34 14.593 -0.083 10.998 18 2HD1 LEU 34 2HD1 LEU 34 13.857 1.490 10.624 19 3HD1 LEU 34 3HD1 LEU 34 13.223 0.517 11.960 20 1HD2 LEU 34 1HD2 LEU 34 12.544 -0.648 7.889 21 2HD2 LEU 34 2HD2 LEU 34 13.517 0.780 8.265 22 3HD2 LEU 34 3HD2 LEU 34 14.175 -0.845 8.567 23 H ASN 35 H ASN 35 11.080 -3.852 10.038 24 HA ASN 35 HA ASN 35 8.991 -2.928 8.735 25 1HB ASN 35 2HB ASN 35 9.682 -5.901 8.861 26 2HB ASN 35 3HB ASN 35 8.850 -5.078 7.531 27 1HD2 ASN 35 1HD2 ASN 35 11.064 -6.663 7.022 28 2HD2 ASN 35 2HD2 ASN 35 12.443 -5.644 6.660 29 H LEU 36 H LEU 36 7.007 -2.427 9.824 30 HA LEU 36 HA LEU 36 5.524 -4.687 11.062 31 1HB LEU 36 2HB LEU 36 4.959 -3.482 12.914 32 2HB LEU 36 3HB LEU 36 6.690 -3.267 12.791 33 HG LEU 36 HG LEU 36 4.797 -1.117 11.703 34 1HD1 LEU 36 1HD1 LEU 36 4.773 -0.074 13.922 35 2HD1 LEU 36 2HD1 LEU 36 3.938 -1.634 13.920 36 3HD1 LEU 36 3HD1 LEU 36 5.575 -1.504 14.608 37 1HD2 LEU 36 1HD2 LEU 36 7.524 -0.978 13.050 38 2HD2 LEU 36 2HD2 LEU 36 7.206 -0.775 11.297 39 3HD2 LEU 36 3HD2 LEU 36 6.601 0.395 12.472 40 H PHE 37 H PHE 37 3.266 -4.157 11.499 41 HA PHE 37 HA PHE 37 2.035 -3.238 9.016 42 1HB PHE 37 2HB PHE 37 0.893 -4.483 11.541 43 2HB PHE 37 3HB PHE 37 -0.032 -4.090 10.105 44 HD1 PHE 37 1HD PHE 37 0.022 -5.481 8.118 45 HD2 PHE 37 2HD PHE 37 2.579 -6.373 11.481 46 HE1 PHE 37 1HE PHE 37 0.535 -7.710 7.158 47 HE2 PHE 37 2HE PHE 37 3.104 -8.582 10.492 48 HZ PHE 37 HZ PHE 37 2.068 -9.261 8.334 49 H TYR 38 H TYR 38 1.007 -1.371 8.722 50 HA TYR 38 HA TYR 38 0.233 0.338 11.011 51 1HB TYR 38 2HB TYR 38 1.991 0.979 8.626 52 2HB TYR 38 3HB TYR 38 0.866 2.201 9.195 53 HD1 TYR 38 HD1 TYR 38 4.163 0.989 9.644 54 HD2 TYR 38 HD2 TYR 38 0.825 2.730 11.748 55 HE1 TYR 38 HE1 TYR 38 5.715 2.043 11.249 56 HE2 TYR 38 HE2 TYR 38 2.374 3.616 13.467 57 HH TYR 38 HH TYR 38 5.906 3.112 13.291 58 H THR 39 H THR 39 -1.548 1.680 10.565 59 HA THR 39 HA THR 39 -3.383 0.626 8.566 60 HB THR 39 HB THR 39 -4.882 2.215 10.025 61 HG1 THR 39 1HG THR 39 -3.691 3.324 11.369 62 1HG2 THR 39 1HG2 THR 39 -5.004 0.549 11.836 63 2HG2 THR 39 2HG2 THR 39 -4.885 -0.258 10.259 64 3HG2 THR 39 3HG2 THR 39 -3.462 -0.160 11.322 65 HA PRO 40 HA PRO 40 -2.631 4.164 5.960 66 1HB PRO 40 2HB PRO 40 -4.953 4.400 4.562 67 2HB PRO 40 3HB PRO 40 -3.722 3.150 4.303 68 1HG PRO 40 2HG PRO 40 -6.245 2.840 5.934 69 2HG PRO 40 3HG PRO 40 -5.577 1.739 4.704 70 1HD PRO 40 2HD PRO 40 -5.185 1.332 7.349 71 2HD PRO 40 3HD PRO 40 -3.888 0.993 6.161 72 H SER 41 H SER 41 -5.115 4.164 8.411 73 HA SER 41 HA SER 41 -5.883 6.848 8.612 74 1HB SER 41 2HB SER 41 -5.935 6.415 11.046 75 2HB SER 41 3HB SER 41 -6.587 5.005 10.203 76 HG SER 41 HG SER 41 -4.131 5.306 11.524 77 H GLU 42 H GLU 42 -2.811 5.285 9.390 78 HA GLU 42 HA GLU 42 -1.851 7.611 10.840 79 1HB GLU 42 2HB GLU 42 -1.427 4.925 11.105 80 2HB GLU 42 3HB GLU 42 -0.053 5.311 10.063 81 1HG GLU 42 2HG GLU 42 0.708 5.581 12.337 82 2HG GLU 42 3HG GLU 42 0.408 7.203 11.656 83 H ILE 43 H ILE 43 -1.104 5.893 7.855 84 HA ILE 43 HA ILE 43 1.043 7.780 7.160 85 HB ILE 43 HB ILE 43 1.398 6.260 5.204 86 1HG1 ILE 43 2HG1 ILE 43 -0.559 4.435 6.616 87 2HG1 ILE 43 3HG1 ILE 43 -0.870 5.305 5.089 88 1HG2 ILE 43 1HG2 ILE 43 2.652 6.181 7.367 89 2HG2 ILE 43 2HG2 ILE 43 1.490 4.979 7.967 90 3HG2 ILE 43 3HG2 ILE 43 2.541 4.613 6.583 91 1HD1 ILE 43 1HD1 ILE 43 1.117 4.069 4.111 92 2HD1 ILE 43 2HD1 ILE 43 1.191 3.119 5.614 93 3HD1 ILE 43 3HD1 ILE 43 -0.243 3.034 4.598 94 H VAL 44 H VAL 44 -1.570 8.864 7.254 95 HA VAL 44 HA VAL 44 -1.641 10.109 4.540 96 HB VAL 44 HB VAL 44 -3.614 8.630 5.010 97 1HG1 VAL 44 1HG1 VAL 44 -5.259 9.235 6.662 98 2HG1 VAL 44 2HG1 VAL 44 -3.709 9.244 7.472 99 3HG1 VAL 44 3HG1 VAL 44 -4.480 10.774 6.988 100 1HG2 VAL 44 1HG2 VAL 44 -4.233 11.594 4.666 101 2HG2 VAL 44 2HG2 VAL 44 -3.767 10.461 3.380 102 3HG2 VAL 44 3HG2 VAL 44 -5.299 10.239 4.242 103 H ASN 45 H ASN 45 -2.190 10.543 8.070 104 HA ASN 45 HA ASN 45 -2.901 13.285 7.777 105 1HB ASN 45 2HB ASN 45 -2.309 11.484 10.160 106 2HB ASN 45 3HB ASN 45 -2.661 13.203 10.346 107 1HD2 ASN 45 1HD2 ASN 45 -4.184 10.036 9.773 108 2HD2 ASN 45 2HD2 ASN 45 -5.781 10.729 9.665 109 H GLY 46 H GLY 46 0.123 11.719 8.822 110 1HA GLY 46 1HA GLY 46 1.723 14.105 8.434 111 2HA GLY 46 2HA GLY 46 1.294 13.879 10.139 112 H LYS 47 H LYS 47 2.337 11.926 7.365 113 HA LYS 47 HA LYS 47 4.635 10.828 8.627 114 1HB LYS 47 2HB LYS 47 2.098 9.204 8.486 115 2HB LYS 47 3HB LYS 47 3.616 8.368 8.134 116 1HG LYS 47 2HG LYS 47 4.256 8.295 10.243 117 2HG LYS 47 3HG LYS 47 3.956 10.010 10.492 118 1HD LYS 47 2HD LYS 47 1.399 9.160 10.604 119 2HD LYS 47 3HD LYS 47 2.283 7.647 10.987 120 1HE LYS 47 2HE LYS 47 3.589 9.244 12.657 121 2HE LYS 47 3HE LYS 47 2.222 10.337 12.448 122 1HZ LYS 47 1HZ LYS 47 1.939 8.914 14.383 123 2HZ LYS 47 2HZ LYS 47 0.763 8.533 13.334 124 3HZ LYS 47 3HZ LYS 47 2.034 7.561 13.468 125 H THR 48 H THR 48 2.817 8.974 6.195 126 HA THR 48 HA THR 48 5.061 9.178 4.474 127 HB THR 48 HB THR 48 2.225 8.136 4.008 128 HG1 THR 48 1HG THR 48 3.396 6.156 4.461 129 1HG2 THR 48 1HG2 THR 48 3.164 8.404 1.854 130 2HG2 THR 48 2HG2 THR 48 4.753 7.868 2.410 131 3HG2 THR 48 3HG2 THR 48 3.410 6.705 2.264 132 H ASP 49 H ASP 49 1.713 10.403 3.944 133 HA ASP 49 HA ASP 49 2.073 11.732 1.532 134 1HB ASP 49 2HB ASP 49 -0.109 11.568 2.539 135 2HB ASP 49 3HB ASP 49 0.419 12.430 3.995 136 H THR 50 H THR 50 2.421 13.136 4.775 137 HA THR 50 HA THR 50 3.495 15.577 3.814 138 HB THR 50 HB THR 50 3.557 14.716 6.700 139 HG1 THR 50 1HG THR 50 1.251 14.935 5.048 140 1HG2 THR 50 1HG2 THR 50 2.459 17.198 5.305 141 2HG2 THR 50 2HG2 THR 50 2.590 16.940 7.057 142 3HG2 THR 50 3HG2 THR 50 4.059 17.079 6.067 143 H GLY 51 H GLY 51 5.005 12.590 4.918 144 1HA GLY 51 1HA GLY 51 7.148 11.917 5.127 145 2HA GLY 51 2HA GLY 51 7.603 13.295 4.149 146 H VAL 52 H VAL 52 6.196 12.893 7.470 147 HA VAL 52 HA VAL 52 8.413 14.674 8.476 148 HB VAL 52 HB VAL 52 7.021 15.522 10.190 149 1HG1 VAL 52 1HG1 VAL 52 7.217 16.614 7.960 150 2HG1 VAL 52 2HG1 VAL 52 5.731 15.791 7.449 151 3HG1 VAL 52 3HG1 VAL 52 5.685 16.970 8.773 152 1HG2 VAL 52 1HG2 VAL 52 5.323 13.902 10.685 153 2HG2 VAL 52 2HG2 VAL 52 4.502 15.276 9.968 154 3HG2 VAL 52 3HG2 VAL 52 4.802 13.836 8.978 155 H LYS 53 H LYS 53 6.317 12.307 10.236 156 HA LYS 53 HA LYS 53 8.429 11.867 12.062 157 1HB LYS 53 2HB LYS 53 5.692 10.846 11.642 158 2HB LYS 53 3HB LYS 53 6.767 9.661 12.391 159 1HG LYS 53 2HG LYS 53 6.407 12.527 13.354 160 2HG LYS 53 3HG LYS 53 5.520 11.137 13.980 161 1HD LYS 53 2HD LYS 53 8.319 10.411 14.001 162 2HD LYS 53 3HD LYS 53 8.201 12.055 14.650 163 1HE LYS 53 2HE LYS 53 6.423 11.285 16.210 164 2HE LYS 53 3HE LYS 53 6.588 9.628 15.594 165 1HZ LYS 53 1HZ LYS 53 7.832 9.906 17.608 166 2HZ LYS 53 2HZ LYS 53 8.864 9.618 16.363 167 3HZ LYS 53 3HZ LYS 53 8.712 11.139 16.971 168 HA PRO 54 HA PRO 54 9.764 7.957 9.801 169 1HB PRO 54 2HB PRO 54 8.412 6.844 7.747 170 2HB PRO 54 3HB PRO 54 7.752 6.733 9.408 171 1HG PRO 54 2HG PRO 54 7.001 8.675 7.206 172 2HG PRO 54 3HG PRO 54 5.914 7.736 8.265 173 1HD PRO 54 2HD PRO 54 6.764 10.384 8.686 174 2HD PRO 54 3HD PRO 54 6.179 9.302 9.998 175 H GLU 55 H GLU 55 11.185 7.670 7.960 176 HA GLU 55 HA GLU 55 11.310 9.947 6.049 177 1HB GLU 55 2HB GLU 55 13.350 7.834 6.866 178 2HB GLU 55 3HB GLU 55 13.620 9.120 5.680 179 1HG GLU 55 2HG GLU 55 13.255 10.840 7.400 180 2HG GLU 55 3HG GLU 55 12.886 9.607 8.615 181 H ALA 56 H ALA 56 11.450 9.496 3.822 182 HA ALA 56 HA ALA 56 10.062 7.240 2.753 183 1HB ALA 56 1HB ALA 56 10.884 8.062 0.581 184 2HB ALA 56 2HB ALA 56 10.302 9.406 1.576 185 3HB ALA 56 3HB ALA 56 12.045 9.127 1.406 186 H GLY 57 H GLY 57 11.133 5.504 1.322 187 1HA GLY 57 1HA GLY 57 12.729 3.926 0.960 188 2HA GLY 57 2HA GLY 57 13.938 4.965 1.711 189 H GLN 58 H GLN 58 11.487 4.616 4.034 190 HA GLN 58 HA GLN 58 12.874 2.376 5.411 191 1HB GLN 58 2HB GLN 58 10.481 4.101 6.133 192 2HB GLN 58 3HB GLN 58 11.070 2.744 7.104 193 1HG GLN 58 2HG GLN 58 13.322 3.849 7.251 194 2HG GLN 58 3HG GLN 58 12.632 5.281 6.469 195 1HE2 GLN 58 1HE2 GLN 58 10.287 5.758 7.552 196 2HE2 GLN 58 2HE2 GLN 58 10.321 5.797 9.325 197 H ARG 59 H ARG 59 11.635 0.489 6.080 198 HA ARG 59 HA ARG 59 9.609 -0.315 4.088 199 1HB ARG 59 2HB ARG 59 11.414 -1.862 5.946 200 2HB ARG 59 3HB ARG 59 9.834 -2.529 5.527 201 1HG ARG 59 2HG ARG 59 10.469 -2.206 3.065 202 2HG ARG 59 3HG ARG 59 12.131 -1.970 3.654 203 1HD ARG 59 2HD ARG 59 11.903 -4.183 4.864 204 2HD ARG 59 3HD ARG 59 10.290 -4.375 4.144 205 HE ARG 59 HE ARG 59 12.484 -3.919 2.256 206 1HH1 ARG 59 2HH2 ARG 59 10.286 -6.438 3.554 207 2HH1 ARG 59 1HH2 ARG 59 11.208 -7.736 2.918 208 1HH2 ARG 59 1HH1 ARG 59 13.468 -5.672 1.136 209 2HH2 ARG 59 2HH1 ARG 59 12.875 -7.287 1.350 210 H ILE 60 H ILE 60 7.524 -0.711 4.664 211 HA ILE 60 HA ILE 60 6.787 -1.096 7.445 212 HB ILE 60 HB ILE 60 4.964 0.511 7.449 213 1HG1 ILE 60 2HG1 ILE 60 6.098 1.842 4.969 214 2HG1 ILE 60 3HG1 ILE 60 4.778 0.679 4.880 215 1HG2 ILE 60 1HG2 ILE 60 7.587 1.991 6.940 216 2HG2 ILE 60 2HG2 ILE 60 6.220 2.533 7.929 217 3HG2 ILE 60 3HG2 ILE 60 7.164 1.136 8.439 218 1HD1 ILE 60 1HD1 ILE 60 4.663 3.259 6.477 219 2HD1 ILE 60 2HD1 ILE 60 3.870 2.921 4.931 220 3HD1 ILE 60 3HD1 ILE 60 3.387 2.019 6.375 221 H ARG 61 H ARG 61 4.372 -1.768 7.461 222 HA ARG 61 HA ARG 61 3.551 -2.713 4.747 223 1HB ARG 61 2HB ARG 61 2.484 -4.132 7.153 224 2HB ARG 61 3HB ARG 61 2.802 -4.737 5.540 225 1HG ARG 61 2HG ARG 61 5.247 -4.660 6.025 226 2HG ARG 61 3HG ARG 61 4.931 -4.072 7.640 227 1HD ARG 61 2HD ARG 61 3.561 -6.045 8.156 228 2HD ARG 61 3HD ARG 61 4.046 -6.774 6.636 229 HE ARG 61 HE ARG 61 5.911 -5.891 8.869 230 1HH1 ARG 61 2HH2 ARG 61 5.133 -8.407 6.477 231 2HH1 ARG 61 1HH2 ARG 61 6.494 -9.390 6.904 232 1HH2 ARG 61 1HH1 ARG 61 7.574 -7.142 9.458 233 2HH2 ARG 61 2HH1 ARG 61 7.878 -8.714 8.746 234 H VAL 62 H VAL 62 1.698 -1.970 3.959 235 HA VAL 62 HA VAL 62 -0.025 -0.329 5.758 236 HB VAL 62 HB VAL 62 0.465 0.733 3.651 237 1HG1 VAL 62 1HG1 VAL 62 0.789 -1.189 2.141 238 2HG1 VAL 62 2HG1 VAL 62 -0.962 -1.559 2.214 239 3HG1 VAL 62 3HG1 VAL 62 -0.397 -0.056 1.496 240 1HG2 VAL 62 1HG2 VAL 62 -1.846 1.222 2.976 241 2HG2 VAL 62 2HG2 VAL 62 -2.426 -0.228 3.796 242 3HG2 VAL 62 3HG2 VAL 62 -1.725 1.103 4.742 243 H GLY 63 H GLY 63 -1.795 -1.277 6.686 244 1HA GLY 63 1HA GLY 63 -2.995 -3.674 5.322 245 2HA GLY 63 2HA GLY 63 -2.738 -3.594 7.067 246 H GLY 64 H GLY 64 -5.126 -3.440 4.892 247 1HA GLY 64 1HA GLY 64 -7.039 -2.050 6.386 248 2HA GLY 64 2HA GLY 64 -6.384 -0.907 5.185 249 H MET 65 H MET 65 -8.388 -0.939 3.856 250 HA MET 65 HA MET 65 -8.593 -3.412 2.303 251 1HB MET 65 2HB MET 65 -11.087 -3.147 2.261 252 2HB MET 65 3HB MET 65 -10.391 -3.662 3.786 253 1HG MET 65 2HG MET 65 -12.143 -2.082 4.205 254 2HG MET 65 3HG MET 65 -10.608 -1.430 4.749 255 1HE MET 65 1HE MET 65 -11.720 -1.449 0.957 256 2HE MET 65 2HE MET 65 -13.226 -1.517 1.915 257 3HE MET 65 3HE MET 65 -12.845 -0.077 0.941 258 H VAL 66 H VAL 66 -9.499 -3.300 0.313 259 HA VAL 66 HA VAL 66 -8.389 -0.880 -1.049 260 HB VAL 66 HB VAL 66 -7.363 -3.101 -1.497 261 1HG1 VAL 66 1HG1 VAL 66 -8.414 -4.665 -3.021 262 2HG1 VAL 66 2HG1 VAL 66 -9.427 -4.508 -1.588 263 3HG1 VAL 66 3HG1 VAL 66 -9.877 -3.668 -3.086 264 1HG2 VAL 66 1HG2 VAL 66 -8.582 -1.495 -3.778 265 2HG2 VAL 66 2HG2 VAL 66 -6.959 -1.372 -3.067 266 3HG2 VAL 66 3HG2 VAL 66 -7.412 -2.786 -4.020 267 H THR 67 H THR 67 -9.638 0.441 -2.290 268 HA THR 67 HA THR 67 -12.496 0.214 -2.237 269 HB THR 67 HB THR 67 -10.461 2.193 -3.075 270 HG1 THR 67 1HG THR 67 -11.859 2.377 -1.304 271 1HG2 THR 67 1HG2 THR 67 -11.524 1.909 -5.308 272 2HG2 THR 67 2HG2 THR 67 -13.108 2.284 -4.570 273 3HG2 THR 67 3HG2 THR 67 -11.807 3.483 -4.567 274 H VAL 68 H VAL 68 -13.764 0.187 -4.100 275 HA VAL 68 HA VAL 68 -13.364 -2.215 -5.570 276 HB VAL 68 HB VAL 68 -15.534 -1.509 -4.798 277 1HG1 VAL 68 1HG1 VAL 68 -15.451 0.687 -6.918 278 2HG1 VAL 68 2HG1 VAL 68 -16.838 0.244 -5.910 279 3HG1 VAL 68 3HG1 VAL 68 -15.398 0.942 -5.160 280 1HG2 VAL 68 1HG2 VAL 68 -15.575 -1.658 -7.837 281 2HG2 VAL 68 2HG2 VAL 68 -15.302 -3.051 -6.768 282 3HG2 VAL 68 3HG2 VAL 68 -16.837 -2.168 -6.703 283 H GLY 69 H GLY 69 -12.914 1.138 -6.503 284 1HA GLY 69 1HA GLY 69 -11.791 0.281 -9.157 285 2HA GLY 69 2HA GLY 69 -12.673 1.794 -8.889 286 H SER 70 H SER 70 -9.804 -0.066 -7.866 287 HA SER 70 HA SER 70 -8.284 2.498 -7.479 288 1HB SER 70 2HB SER 70 -8.755 0.172 -5.589 289 2HB SER 70 3HB SER 70 -7.299 1.162 -5.456 290 HG SER 70 HG SER 70 -9.590 2.634 -5.799 291 H MET 71 H MET 71 -8.064 -1.046 -7.976 292 HA MET 71 HA MET 71 -5.271 -0.985 -8.469 293 1HB MET 71 2HB MET 71 -6.297 -3.052 -7.787 294 2HB MET 71 3HB MET 71 -7.509 -2.903 -9.056 295 1HG MET 71 2HG MET 71 -6.327 -4.640 -9.772 296 2HG MET 71 3HG MET 71 -5.683 -3.327 -10.750 297 1HE MET 71 1HE MET 71 -3.571 -2.152 -8.599 298 2HE MET 71 2HE MET 71 -2.103 -2.988 -9.057 299 3HE MET 71 3HE MET 71 -3.184 -2.331 -10.324 300 H VAL 72 H VAL 72 -4.346 0.132 -10.101 301 HA VAL 72 HA VAL 72 -5.508 -0.148 -12.847 302 HB VAL 72 HB VAL 72 -4.303 1.909 -13.441 303 1HG1 VAL 72 1HG1 VAL 72 -5.990 3.421 -12.491 304 2HG1 VAL 72 2HG1 VAL 72 -6.732 1.882 -12.958 305 3HG1 VAL 72 3HG1 VAL 72 -6.400 2.225 -11.247 306 1HG2 VAL 72 1HG2 VAL 72 -3.707 3.532 -11.680 307 2HG2 VAL 72 2HG2 VAL 72 -3.947 2.293 -10.436 308 3HG2 VAL 72 3HG2 VAL 72 -2.665 2.109 -11.666 309 H ARG 73 H ARG 73 -4.415 -1.511 -14.044 310 HA ARG 73 HA ARG 73 -1.671 -2.296 -13.244 311 1HB ARG 73 2HB ARG 73 -2.222 -4.436 -14.459 312 2HB ARG 73 3HB ARG 73 -3.042 -4.211 -12.915 313 1HG ARG 73 2HG ARG 73 -4.452 -3.352 -15.451 314 2HG ARG 73 3HG ARG 73 -4.289 -5.074 -15.122 315 1HD ARG 73 2HD ARG 73 -5.536 -5.018 -13.163 316 2HD ARG 73 3HD ARG 73 -5.333 -3.267 -12.945 317 HE ARG 73 HE ARG 73 -6.691 -3.568 -15.358 318 1HH1 ARG 73 2HH2 ARG 73 -7.286 -4.372 -11.979 319 2HH1 ARG 73 1HH2 ARG 73 -8.956 -3.920 -11.980 320 1HH2 ARG 73 1HH1 ARG 73 -8.921 -2.962 -15.423 321 2HH2 ARG 73 2HH1 ARG 73 -9.924 -3.165 -14.023 322 H ASP 74 H ASP 74 -0.021 -2.290 -14.861 323 HA ASP 74 HA ASP 74 -0.733 -0.864 -17.318 324 1HB ASP 74 2HB ASP 74 1.841 -2.076 -16.235 325 2HB ASP 74 3HB ASP 74 1.702 -1.336 -17.830 326 HA PRO 75 HA PRO 75 -0.981 -4.730 -19.740 327 1HB PRO 75 2HB PRO 75 -0.391 -3.822 -22.231 328 2HB PRO 75 3HB PRO 75 -1.925 -3.370 -21.430 329 1HG PRO 75 2HG PRO 75 0.632 -1.750 -21.575 330 2HG PRO 75 3HG PRO 75 -1.032 -1.198 -21.913 331 1HD PRO 75 2HD PRO 75 0.242 -0.844 -19.495 332 2HD PRO 75 3HD PRO 75 -1.535 -1.052 -19.606 333 H ASN 76 H ASN 76 1.753 -2.574 -19.446 334 HA ASN 76 HA ASN 76 3.938 -4.083 -20.263 335 1HB ASN 76 2HB ASN 76 3.581 -2.666 -17.571 336 2HB ASN 76 3HB ASN 76 5.102 -3.199 -18.273 337 1HD2 ASN 76 1HD2 ASN 76 3.689 -0.295 -17.680 338 2HD2 ASN 76 2HD2 ASN 76 4.209 0.485 -19.145 339 H SER 77 H SER 77 1.724 -4.637 -17.485 340 HA SER 77 HA SER 77 1.294 -6.397 -16.234 341 1HB SER 77 2HB SER 77 2.967 -8.116 -18.116 342 2HB SER 77 3HB SER 77 1.722 -8.637 -16.987 343 HG SER 77 HG SER 77 1.320 -6.912 -19.229 344 H LEU 78 H LEU 78 4.191 -5.009 -16.253 345 HA LEU 78 HA LEU 78 5.165 -6.512 -13.871 346 1HB LEU 78 2HB LEU 78 7.450 -5.493 -14.554 347 2HB LEU 78 3HB LEU 78 6.877 -6.986 -15.255 348 HG LEU 78 HG LEU 78 6.062 -4.589 -16.813 349 1HD1 LEU 78 1HD1 LEU 78 8.191 -3.735 -16.116 350 2HD1 LEU 78 2HD1 LEU 78 9.001 -5.244 -16.613 351 3HD1 LEU 78 3HD1 LEU 78 8.216 -4.200 -17.828 352 1HD2 LEU 78 1HD2 LEU 78 5.850 -7.061 -17.417 353 2HD2 LEU 78 2HD2 LEU 78 6.646 -6.050 -18.650 354 3HD2 LEU 78 3HD2 LEU 78 7.611 -7.103 -17.584 355 H HIS 79 H HID 79 3.269 -4.067 -14.429 356 HA HIS 79 HA HID 79 4.328 -2.467 -12.217 357 1HB HIS 79 2HB HID 79 3.910 -1.492 -15.064 358 2HB HIS 79 3HB HID 79 3.675 -0.421 -13.686 359 HD1 HIS 79 1HD HID 79 6.006 -0.428 -11.958 360 HD2 HIS 79 2HD HID 79 6.342 -1.497 -16.015 361 HE1 HIS 79 1HE HID 79 8.466 -0.164 -12.580 362 H VAL 80 H VAL 80 2.591 -2.447 -10.861 363 HA VAL 80 HA VAL 80 -0.060 -1.852 -11.977 364 HB VAL 80 HB VAL 80 -1.042 -3.805 -10.789 365 1HG1 VAL 80 1HG1 VAL 80 1.056 -4.955 -12.606 366 2HG1 VAL 80 2HG1 VAL 80 -0.567 -5.564 -12.253 367 3HG1 VAL 80 3HG1 VAL 80 -0.364 -4.088 -13.212 368 1HG2 VAL 80 1HG2 VAL 80 1.833 -4.689 -10.259 369 2HG2 VAL 80 2HG2 VAL 80 0.575 -4.241 -9.080 370 3HG2 VAL 80 3HG2 VAL 80 0.395 -5.700 -10.066 371 H GLN 81 H GLN 81 -1.209 -0.490 -10.484 372 HA GLN 81 HA GLN 81 -0.045 -0.364 -7.738 373 1HB GLN 81 2HB GLN 81 0.092 2.067 -7.870 374 2HB GLN 81 3HB GLN 81 1.143 1.317 -9.093 375 1HG GLN 81 2HG GLN 81 -0.510 1.734 -10.839 376 2HG GLN 81 3HG GLN 81 -1.652 2.355 -9.621 377 1HE2 GLN 81 1HE2 GLN 81 -1.909 4.448 -10.322 378 2HE2 GLN 81 2HE2 GLN 81 -0.558 5.553 -10.469 379 H PHE 82 H PHE 82 -1.370 0.590 -6.153 380 HA PHE 82 HA PHE 82 -4.226 0.876 -6.823 381 1HB PHE 82 2HB PHE 82 -4.867 -0.930 -5.260 382 2HB PHE 82 3HB PHE 82 -3.985 -1.536 -6.611 383 HD1 PHE 82 1HD PHE 82 -3.744 -0.875 -2.986 384 HD2 PHE 82 2HD PHE 82 -1.781 -2.549 -6.433 385 HE1 PHE 82 1HE PHE 82 -2.250 -2.217 -1.504 386 HE2 PHE 82 2HE PHE 82 -0.291 -3.855 -4.950 387 HZ PHE 82 HZ PHE 82 -0.658 -3.820 -2.479 388 H ALA 83 H ALA 83 -5.432 1.763 -5.135 389 HA ALA 83 HA ALA 83 -3.906 3.159 -3.053 390 1HB ALA 83 1HB ALA 83 -6.001 4.373 -2.631 391 2HB ALA 83 2HB ALA 83 -5.571 4.478 -4.345 392 3HB ALA 83 3HB ALA 83 -6.848 3.362 -3.818 393 H VAL 84 H VAL 84 -4.372 2.845 -0.844 394 HA VAL 84 HA VAL 84 -6.261 0.639 -0.123 395 HB VAL 84 HB VAL 84 -3.544 1.125 1.210 396 1HG1 VAL 84 1HG1 VAL 84 -4.158 -1.008 2.440 397 2HG1 VAL 84 2HG1 VAL 84 -5.213 0.345 2.848 398 3HG1 VAL 84 3HG1 VAL 84 -5.775 -0.912 1.728 399 1HG2 VAL 84 1HG2 VAL 84 -4.488 -1.153 -0.556 400 2HG2 VAL 84 2HG2 VAL 84 -3.179 0.016 -0.888 401 3HG2 VAL 84 3HG2 VAL 84 -3.004 -1.153 0.427 402 H HIS 85 H HID 85 -7.478 1.098 1.784 403 HA HIS 85 HA HID 85 -6.916 3.532 3.302 404 1HB HIS 85 2HB HID 85 -9.024 4.576 2.872 405 2HB HIS 85 3HB HID 85 -8.220 4.366 1.319 406 HD1 HIS 85 1HD HID 85 -11.486 4.094 2.751 407 HD2 HIS 85 2HD HID 85 -9.168 1.874 0.022 408 HE1 HIS 85 1HE HID 85 -13.122 2.749 1.317 409 H ASP 86 H ASP 86 -9.403 3.635 4.792 410 HA ASP 86 HA ASP 86 -10.302 0.922 5.105 411 1HB ASP 86 2HB ASP 86 -8.255 1.500 6.811 412 2HB ASP 86 3HB ASP 86 -9.581 2.145 7.746 413 H SER 87 H SER 87 -11.957 1.038 6.924 414 HA SER 87 HA SER 87 -13.851 3.213 6.913 415 1HB SER 87 2HB SER 87 -14.268 0.951 7.869 416 2HB SER 87 3HB SER 87 -13.046 1.253 9.116 417 HG SER 87 HG SER 87 -14.349 2.880 9.939 418 H LEU 88 H LEU 88 -13.210 5.046 7.397 419 HA LEU 88 HA LEU 88 -11.947 6.782 7.243 420 1HB LEU 88 2HB LEU 88 -12.558 6.426 10.183 421 2HB LEU 88 3HB LEU 88 -11.591 7.800 9.726 422 HG LEU 88 HG LEU 88 -14.088 8.102 10.048 423 1HD1 LEU 88 1HD1 LEU 88 -12.661 9.228 7.614 424 2HD1 LEU 88 2HD1 LEU 88 -14.109 9.923 8.381 425 3HD1 LEU 88 3HD1 LEU 88 -12.591 9.841 9.282 426 1HD2 LEU 88 1HD2 LEU 88 -14.926 6.312 8.556 427 2HD2 LEU 88 2HD2 LEU 88 -15.522 7.915 8.108 428 3HD2 LEU 88 3HD2 LEU 88 -14.234 7.170 7.153 429 H GLY 89 H GLY 89 -10.303 4.459 7.128 430 1HA GLY 89 1HA GLY 89 -7.776 5.245 8.443 431 2HA GLY 89 2HA GLY 89 -8.030 3.840 7.412 432 H GLY 90 H GLY 90 -8.719 7.311 7.031 433 1HA GLY 90 1HA GLY 90 -8.320 8.792 5.290 434 2HA GLY 90 2HA GLY 90 -6.660 8.222 5.524 435 H GLU 91 H GLU 91 -5.687 7.773 3.651 436 HA GLU 91 HA GLU 91 -6.410 5.578 2.142 437 1HB GLU 91 2HB GLU 91 -8.050 7.075 1.022 438 2HB GLU 91 3HB GLU 91 -6.765 8.231 0.650 439 1HG GLU 91 2HG GLU 91 -5.701 6.614 -0.853 440 2HG GLU 91 3HG GLU 91 -6.830 5.343 -0.348 441 H ILE 92 H ILE 92 -4.601 5.079 0.658 442 HA ILE 92 HA ILE 92 -2.435 6.989 0.399 443 HB ILE 92 HB ILE 92 -1.992 5.850 2.605 444 1HG1 ILE 92 2HG1 ILE 92 0.291 5.231 2.264 445 2HG1 ILE 92 3HG1 ILE 92 0.063 5.031 0.526 446 1HG2 ILE 92 1HG2 ILE 92 -3.018 3.650 2.080 447 2HG2 ILE 92 2HG2 ILE 92 -1.703 3.303 0.940 448 3HG2 ILE 92 3HG2 ILE 92 -1.357 3.496 2.662 449 1HD1 ILE 92 1HD1 ILE 92 -0.337 7.669 2.014 450 2HD1 ILE 92 2HD1 ILE 92 1.182 7.170 1.253 451 3HD1 ILE 92 3HD1 ILE 92 -0.246 7.446 0.251 452 H LEU 93 H LEU 93 -0.722 5.994 -1.181 453 HA LEU 93 HA LEU 93 -2.052 4.118 -3.069 454 1HB LEU 93 2HB LEU 93 -0.963 6.886 -3.487 455 2HB LEU 93 3HB LEU 93 -0.642 5.704 -4.756 456 HG LEU 93 HG LEU 93 -3.469 6.048 -3.731 457 1HD1 LEU 93 1HD1 LEU 93 -2.711 8.312 -4.339 458 2HD1 LEU 93 2HD1 LEU 93 -2.120 7.709 -5.906 459 3HD1 LEU 93 3HD1 LEU 93 -3.857 7.687 -5.537 460 1HD2 LEU 93 1HD2 LEU 93 -2.871 4.126 -5.252 461 2HD2 LEU 93 2HD2 LEU 93 -4.007 5.254 -6.009 462 3HD2 LEU 93 3HD2 LEU 93 -2.292 5.284 -6.457 463 H VAL 94 H VAL 94 -0.825 2.477 -3.762 464 HA VAL 94 HA VAL 94 2.113 2.588 -3.284 465 HB VAL 94 HB VAL 94 1.191 1.588 -1.331 466 1HG1 VAL 94 1HG1 VAL 94 -0.386 -0.252 -3.155 467 2HG1 VAL 94 2HG1 VAL 94 -0.216 -0.456 -1.398 468 3HG1 VAL 94 3HG1 VAL 94 -1.050 0.963 -2.039 469 1HG2 VAL 94 1HG2 VAL 94 2.223 -0.545 -1.294 470 2HG2 VAL 94 2HG2 VAL 94 2.083 -0.753 -3.052 471 3HG2 VAL 94 3HG2 VAL 94 3.207 0.451 -2.387 472 H THR 95 H THR 95 3.375 1.444 -4.701 473 HA THR 95 HA THR 95 2.032 0.410 -7.144 474 HB THR 95 HB THR 95 4.037 0.995 -8.318 475 HG1 THR 95 1HG THR 95 5.744 2.066 -7.124 476 1HG2 THR 95 1HG2 THR 95 4.077 3.414 -8.110 477 2HG2 THR 95 2HG2 THR 95 2.413 2.887 -7.823 478 3HG2 THR 95 3HG2 THR 95 3.447 3.347 -6.456 479 H TYR 96 H TYR 96 2.849 -1.547 -8.074 480 HA TYR 96 HA TYR 96 4.674 -3.222 -6.468 481 1HB TYR 96 2HB TYR 96 2.053 -3.544 -6.072 482 2HB TYR 96 3HB TYR 96 2.091 -4.246 -7.659 483 HD1 TYR 96 HD1 TYR 96 2.170 -5.057 -4.264 484 HD2 TYR 96 HD2 TYR 96 3.897 -6.156 -8.038 485 HE1 TYR 96 HE1 TYR 96 2.477 -7.398 -3.485 486 HE2 TYR 96 HE2 TYR 96 4.200 -8.471 -7.239 487 HH TYR 96 HH TYR 96 4.162 -9.474 -4.366 488 H ASP 97 H ASP 97 6.063 -4.356 -7.875 489 HA ASP 97 HA ASP 97 5.693 -3.862 -10.765 490 1HB ASP 97 2HB ASP 97 8.133 -3.480 -10.697 491 2HB ASP 97 3HB ASP 97 7.241 -2.353 -9.672 492 H ASP 98 H ASP 98 4.755 -6.323 -9.698 493 HA ASP 98 HA ASP 98 6.228 -8.180 -11.310 494 1HB ASP 98 2HB ASP 98 7.626 -7.994 -9.117 495 2HB ASP 98 3HB ASP 98 6.306 -8.850 -8.334 496 H LEU 99 H LEU 99 3.756 -7.669 -11.809 497 HA LEU 99 HA LEU 99 1.545 -8.084 -11.741 498 1HB LEU 99 2HB LEU 99 2.670 -10.871 -11.246 499 2HB LEU 99 3HB LEU 99 0.962 -10.563 -11.509 500 HG LEU 99 HG LEU 99 1.908 -9.211 -13.635 501 1HD1 LEU 99 1HD1 LEU 99 3.774 -11.609 -13.301 502 2HD1 LEU 99 2HD1 LEU 99 3.653 -10.562 -14.730 503 3HD1 LEU 99 3HD1 LEU 99 4.279 -9.910 -13.208 504 1HD2 LEU 99 1HD2 LEU 99 1.261 -11.156 -14.974 505 2HD2 LEU 99 2HD2 LEU 99 1.277 -12.175 -13.515 506 3HD2 LEU 99 3HD2 LEU 99 0.110 -10.839 -13.667 507 H LEU 100 H LEU 100 -0.197 -9.681 -10.180 508 HA LEU 100 HA LEU 100 0.422 -9.240 -7.385 509 1HB LEU 100 2HB LEU 100 -1.733 -7.765 -8.966 510 2HB LEU 100 3HB LEU 100 -2.093 -8.225 -7.308 511 HG LEU 100 HG LEU 100 0.370 -6.577 -8.003 512 1HD1 LEU 100 1HD1 LEU 100 -1.686 -5.391 -8.669 513 2HD1 LEU 100 2HD1 LEU 100 -2.237 -5.463 -6.966 514 3HD1 LEU 100 3HD1 LEU 100 -0.766 -4.601 -7.372 515 1HD2 LEU 100 1HD2 LEU 100 0.501 -7.680 -5.872 516 2HD2 LEU 100 2HD2 LEU 100 0.156 -5.961 -5.610 517 3HD2 LEU 100 3HD2 LEU 100 -1.145 -7.136 -5.443 518 HA PRO 101 HA PRO 101 -1.700 -13.142 -7.340 519 1HB PRO 101 2HB PRO 101 -2.996 -13.206 -4.914 520 2HB PRO 101 3HB PRO 101 -1.218 -13.310 -5.077 521 1HG PRO 101 2HG PRO 101 -2.870 -10.821 -4.516 522 2HG PRO 101 3HG PRO 101 -1.459 -11.417 -3.606 523 1HD PRO 101 2HD PRO 101 -1.197 -9.522 -5.518 524 2HD PRO 101 3HD PRO 101 0.028 -10.819 -5.415 525 H ASP 102 H ASP 102 -3.654 -13.939 -8.125 526 HA ASP 102 HA ASP 102 -5.347 -13.568 -9.617 527 1HB ASP 102 2HB ASP 102 -6.502 -13.210 -6.841 528 2HB ASP 102 3HB ASP 102 -7.469 -13.452 -8.300 529 H LEU 103 H LEU 103 -3.911 -11.441 -9.941 530 HA LEU 103 HA LEU 103 -3.723 -9.431 -10.695 531 1HB LEU 103 2HB LEU 103 -5.208 -8.649 -12.245 532 2HB LEU 103 3HB LEU 103 -5.513 -10.375 -12.234 533 HG LEU 103 HG LEU 103 -7.327 -9.088 -10.326 534 1HD1 LEU 103 1HD1 LEU 103 -8.548 -7.617 -11.824 535 2HD1 LEU 103 2HD1 LEU 103 -6.885 -7.042 -11.610 536 3HD1 LEU 103 3HD1 LEU 103 -7.341 -7.882 -13.107 537 1HD2 LEU 103 1HD2 LEU 103 -7.745 -11.236 -11.498 538 2HD2 LEU 103 2HD2 LEU 103 -9.049 -10.061 -11.746 539 3HD2 LEU 103 3HD2 LEU 103 -7.868 -10.359 -13.040 540 H PHE 104 H PHE 104 -4.795 -9.735 -7.823 541 HA PHE 104 HA PHE 104 -5.357 -8.483 -6.081 542 1HB PHE 104 2HB PHE 104 -3.921 -6.659 -7.413 543 2HB PHE 104 3HB PHE 104 -5.480 -5.875 -7.534 544 HD1 PHE 104 1HD PHE 104 -5.908 -4.221 -5.875 545 HD2 PHE 104 2HD PHE 104 -3.350 -7.577 -4.876 546 HE1 PHE 104 1HE PHE 104 -5.261 -3.146 -3.780 547 HE2 PHE 104 2HE PHE 104 -2.822 -6.512 -2.734 548 HZ PHE 104 HZ PHE 104 -3.804 -4.282 -2.186 549 H ARG 105 H ARG 105 -7.350 -9.333 -5.861 550 HA ARG 105 HA ARG 105 -9.634 -8.455 -7.498 551 1HB ARG 105 2HB ARG 105 -9.231 -10.238 -5.083 552 2HB ARG 105 3HB ARG 105 -10.856 -9.677 -5.511 553 1HG ARG 105 2HG ARG 105 -10.748 -10.688 -7.690 554 2HG ARG 105 3HG ARG 105 -9.027 -11.085 -7.487 555 1HD ARG 105 2HD ARG 105 -9.512 -12.564 -5.656 556 2HD ARG 105 3HD ARG 105 -11.243 -12.202 -5.693 557 HE ARG 105 HE ARG 105 -11.120 -13.080 -8.122 558 1HH1 ARG 105 2HH2 ARG 105 -9.401 -14.659 -5.378 559 2HH1 ARG 105 1HH2 ARG 105 -8.452 -15.623 -6.529 560 1HH2 ARG 105 1HH1 ARG 105 -10.131 -14.816 -9.415 561 2HH2 ARG 105 2HH1 ARG 105 -8.871 -15.723 -8.577 562 H GLU 106 H GLU 106 -10.869 -6.713 -7.049 563 HA GLU 106 HA GLU 106 -10.011 -4.888 -4.964 564 1HB GLU 106 2HB GLU 106 -12.226 -4.719 -7.045 565 2HB GLU 106 3HB GLU 106 -11.634 -3.385 -6.044 566 1HG GLU 106 2HG GLU 106 -9.662 -4.828 -7.834 567 2HG GLU 106 3HG GLU 106 -10.773 -3.610 -8.474 568 H GLY 107 H GLY 107 -11.836 -3.733 -3.656 569 1HA GLY 107 1HA GLY 107 -13.561 -3.770 -2.158 570 2HA GLY 107 2HA GLY 107 -14.359 -4.931 -3.230 571 H GLN 108 H GLN 108 -11.333 -5.203 -1.300 572 HA GLN 108 HA GLN 108 -12.504 -7.062 0.632 573 1HB GLN 108 2HB GLN 108 -10.731 -8.755 0.127 574 2HB GLN 108 3HB GLN 108 -11.889 -8.552 -1.196 575 1HG GLN 108 2HG GLN 108 -10.329 -7.180 -2.450 576 2HG GLN 108 3HG GLN 108 -9.185 -7.099 -1.101 577 1HE2 GLN 108 1HE2 GLN 108 -11.013 -9.786 -2.683 578 2HE2 GLN 108 2HE2 GLN 108 -9.588 -10.816 -2.803 579 H GLY 109 H GLY 109 -10.429 -7.785 2.064 580 1HA GLY 109 1HA GLY 109 -8.690 -5.404 2.426 581 2HA GLY 109 2HA GLY 109 -9.270 -6.338 3.768 582 H ILE 110 H ILE 110 -6.540 -5.685 2.777 583 HA ILE 110 HA ILE 110 -5.343 -8.342 2.582 584 HB ILE 110 HB ILE 110 -3.986 -7.826 0.616 585 1HG1 ILE 110 2HG1 ILE 110 -4.961 -5.814 -0.822 586 2HG1 ILE 110 3HG1 ILE 110 -5.245 -5.101 0.760 587 1HG2 ILE 110 1HG2 ILE 110 -6.862 -7.289 -0.182 588 2HG2 ILE 110 2HG2 ILE 110 -5.584 -8.072 -1.125 589 3HG2 ILE 110 3HG2 ILE 110 -6.264 -8.892 0.286 590 1HD1 ILE 110 1HD1 ILE 110 -3.007 -4.505 -0.209 591 2HD1 ILE 110 2HD1 ILE 110 -2.831 -5.366 1.295 592 3HD1 ILE 110 3HD1 ILE 110 -2.569 -6.228 -0.244 593 H VAL 111 H VAL 111 -2.874 -8.017 2.781 594 HA VAL 111 HA VAL 111 -2.200 -5.395 4.046 595 HB VAL 111 HB VAL 111 -0.524 -6.669 5.405 596 1HG1 VAL 111 1HG1 VAL 111 -2.544 -5.776 6.448 597 2HG1 VAL 111 2HG1 VAL 111 -3.480 -7.203 5.968 598 3HG1 VAL 111 3HG1 VAL 111 -2.168 -7.352 7.155 599 1HG2 VAL 111 1HG2 VAL 111 -2.294 -9.084 4.786 600 2HG2 VAL 111 2HG2 VAL 111 -0.684 -8.805 4.100 601 3HG2 VAL 111 3HG2 VAL 111 -0.878 -9.051 5.844 602 H ALA 112 H ALA 112 -0.357 -4.468 3.271 603 HA ALA 112 HA ALA 112 1.124 -5.899 1.090 604 1HB ALA 112 1HB ALA 112 0.278 -3.000 1.038 605 2HB ALA 112 2HB ALA 112 1.109 -3.899 -0.230 606 3HB ALA 112 3HB ALA 112 -0.579 -4.280 0.195 607 H GLN 113 H GLN 113 3.236 -6.055 1.565 608 HA GLN 113 HA GLN 113 4.404 -4.229 3.601 609 1HB GLN 113 2HB GLN 113 4.221 -6.555 4.268 610 2HB GLN 113 3HB GLN 113 4.992 -7.082 2.793 611 1HG GLN 113 2HG GLN 113 6.729 -5.164 4.196 612 2HG GLN 113 3HG GLN 113 6.206 -6.437 5.297 613 1HE2 GLN 113 1HE2 GLN 113 6.066 -8.672 3.604 614 2HE2 GLN 113 2HE2 GLN 113 7.677 -9.042 3.056 615 H GLY 114 H GLY 114 6.134 -2.934 3.002 616 1HA GLY 114 1HA GLY 114 7.937 -3.590 0.885 617 2HA GLY 114 2HA GLY 114 6.622 -2.548 0.290 618 H VAL 115 H VAL 115 8.238 -0.966 -0.200 619 HA VAL 115 HA VAL 115 9.323 0.458 2.154 620 HB VAL 115 HB VAL 115 11.155 -0.734 1.345 621 1HG1 VAL 115 1HG1 VAL 115 10.319 -1.644 -0.750 622 2HG1 VAL 115 2HG1 VAL 115 10.338 -0.029 -1.499 623 3HG1 VAL 115 3HG1 VAL 115 11.854 -0.824 -1.034 624 1HG2 VAL 115 1HG2 VAL 115 12.691 0.906 0.523 625 2HG2 VAL 115 2HG2 VAL 115 11.389 1.893 -0.162 626 3HG2 VAL 115 3HG2 VAL 115 11.553 1.728 1.599 627 H LEU 116 H LEU 116 9.256 2.646 2.146 628 HA LEU 116 HA LEU 116 7.276 3.780 0.355 629 1HB LEU 116 2HB LEU 116 9.123 5.172 2.302 630 2HB LEU 116 3HB LEU 116 7.800 5.921 1.398 631 HG LEU 116 HG LEU 116 6.489 3.736 2.459 632 1HD1 LEU 116 1HD1 LEU 116 7.115 3.952 4.981 633 2HD1 LEU 116 2HD1 LEU 116 7.994 2.854 3.916 634 3HD1 LEU 116 3HD1 LEU 116 8.712 4.424 4.377 635 1HD2 LEU 116 1HD2 LEU 116 5.481 5.305 4.004 636 2HD2 LEU 116 2HD2 LEU 116 6.771 6.493 3.659 637 3HD2 LEU 116 3HD2 LEU 116 5.683 5.930 2.355 638 H GLY 117 H GLY 117 7.498 5.296 -1.403 639 1HA GLY 117 1HA GLY 117 9.976 4.672 -2.924 640 2HA GLY 117 2HA GLY 117 8.385 5.105 -3.566 641 H GLU 118 H GLU 118 8.273 7.189 -4.397 642 HA GLU 118 HA GLU 118 10.200 9.149 -4.203 643 1HB GLU 118 2HB GLU 118 8.118 10.711 -4.512 644 2HB GLU 118 3HB GLU 118 8.560 9.568 -5.777 645 1HG GLU 118 2HG GLU 118 6.572 8.578 -3.759 646 2HG GLU 118 3HG GLU 118 6.072 9.956 -4.742 647 H ASP 119 H ASP 119 7.387 8.837 -2.105 648 HA ASP 119 HA ASP 119 8.317 9.693 0.342 649 1HB ASP 119 2HB ASP 119 7.683 12.011 -1.498 650 2HB ASP 119 3HB ASP 119 6.893 12.060 0.085 651 H GLY 120 H GLY 120 5.603 11.037 -1.413 652 1HA GLY 120 1HA GLY 120 3.634 10.156 0.434 653 2HA GLY 120 2HA GLY 120 3.327 10.872 -1.150 654 H LYS 121 H LYS 121 4.944 8.644 -2.423 655 HA LYS 121 HA LYS 121 2.783 6.604 -2.575 656 1HB LYS 121 2HB LYS 121 4.353 8.106 -4.429 657 2HB LYS 121 3HB LYS 121 4.776 6.449 -4.678 658 1HG LYS 121 2HG LYS 121 2.942 6.868 -6.167 659 2HG LYS 121 3HG LYS 121 2.203 6.028 -4.802 660 1HD LYS 121 2HD LYS 121 0.734 7.805 -5.086 661 2HD LYS 121 3HD LYS 121 1.778 8.459 -3.835 662 1HE LYS 121 2HE LYS 121 1.774 9.040 -6.835 663 2HE LYS 121 3HE LYS 121 1.339 10.152 -5.530 664 1HZ LYS 121 1HZ LYS 121 3.493 10.664 -6.386 665 2HZ LYS 121 2HZ LYS 121 3.696 10.062 -4.872 666 3HZ LYS 121 3HZ LYS 121 4.058 9.147 -6.182 667 H LEU 122 H LEU 122 3.412 4.367 -2.687 668 HA LEU 122 HA LEU 122 6.051 3.795 -1.405 669 1HB LEU 122 2HB LEU 122 3.440 2.290 -1.038 670 2HB LEU 122 3HB LEU 122 5.005 1.929 -0.313 671 HG LEU 122 HG LEU 122 4.792 4.370 0.698 672 1HD1 LEU 122 1HD1 LEU 122 1.907 3.685 0.037 673 2HD1 LEU 122 2HD1 LEU 122 2.396 4.821 1.309 674 3HD1 LEU 122 3HD1 LEU 122 2.778 5.181 -0.367 675 1HD2 LEU 122 1HD2 LEU 122 4.812 2.205 1.971 676 2HD2 LEU 122 2HD2 LEU 122 3.689 3.387 2.662 677 3HD2 LEU 122 3HD2 LEU 122 3.068 2.045 1.676 678 H ALA 123 H ALA 123 6.989 1.793 -1.900 679 HA ALA 123 HA ALA 123 6.102 0.500 -4.458 680 1HB ALA 123 1HB ALA 123 8.136 1.796 -4.863 681 2HB ALA 123 2HB ALA 123 8.941 1.013 -3.485 682 3HB ALA 123 3HB ALA 123 8.478 0.055 -4.910 683 H ALA 124 H ALA 124 5.150 -1.363 -3.776 684 HA ALA 124 HA ALA 124 6.574 -3.006 -1.727 685 1HB ALA 124 1HB ALA 124 4.665 -1.733 -0.651 686 2HB ALA 124 2HB ALA 124 3.575 -2.415 -1.877 687 3HB ALA 124 3HB ALA 124 4.344 -3.482 -0.702 688 H THR 125 H THR 125 6.788 -5.088 -2.212 689 HA THR 125 HA THR 125 5.113 -6.162 -4.412 690 HB THR 125 HB THR 125 7.271 -5.637 -5.279 691 HG1 THR 125 1HG THR 125 6.080 -7.477 -6.025 692 1HG2 THR 125 1HG2 THR 125 8.344 -7.666 -3.268 693 2HG2 THR 125 2HG2 THR 125 9.245 -6.934 -4.611 694 3HG2 THR 125 3HG2 THR 125 8.683 -5.916 -3.273 695 H GLU 126 H GLU 126 5.390 -6.416 -1.107 696 HA GLU 126 HA GLU 126 4.958 -9.399 -1.167 697 1HB GLU 126 2HB GLU 126 6.046 -7.559 0.966 698 2HB GLU 126 3HB GLU 126 5.556 -9.243 1.226 699 1HG GLU 126 2HG GLU 126 7.352 -9.196 -1.029 700 2HG GLU 126 3HG GLU 126 8.061 -8.191 0.241 701 H VAL 127 H VAL 127 2.744 -8.953 -1.887 702 HA VAL 127 HA VAL 127 0.993 -7.808 0.232 703 HB VAL 127 HB VAL 127 -0.833 -7.982 -1.360 704 1HG1 VAL 127 1HG1 VAL 127 0.018 -6.153 -2.946 705 2HG1 VAL 127 2HG1 VAL 127 -0.024 -5.887 -1.207 706 3HG1 VAL 127 3HG1 VAL 127 1.519 -6.211 -1.981 707 1HG2 VAL 127 1HG2 VAL 127 -0.474 -9.638 -2.821 708 2HG2 VAL 127 2HG2 VAL 127 -0.097 -8.251 -3.824 709 3HG2 VAL 127 3HG2 VAL 127 1.210 -9.247 -3.166 710 H LEU 128 H LEU 128 -0.249 -9.031 1.466 711 HA LEU 128 HA LEU 128 -0.472 -11.945 0.849 712 1HB LEU 128 2HB LEU 128 -0.599 -10.933 3.678 713 2HB LEU 128 3HB LEU 128 -0.337 -12.533 3.043 714 HG LEU 128 HG LEU 128 1.653 -11.947 4.008 715 1HD1 LEU 128 1HD1 LEU 128 1.874 -12.833 1.612 716 2HD1 LEU 128 2HD1 LEU 128 2.419 -11.193 1.191 717 3HD1 LEU 128 3HD1 LEU 128 3.304 -12.125 2.387 718 1HD2 LEU 128 1HD2 LEU 128 1.415 -9.594 4.402 719 2HD2 LEU 128 2HD2 LEU 128 2.974 -9.911 3.636 720 3HD2 LEU 128 3HD2 LEU 128 1.665 -9.207 2.689 721 H ALA 129 H ALA 129 -2.473 -12.103 -0.002 722 HA ALA 129 HA ALA 129 -4.684 -10.379 0.884 723 1HB ALA 129 1HB ALA 129 -5.967 -11.595 -0.830 724 2HB ALA 129 2HB ALA 129 -4.476 -10.909 -1.498 725 3HB ALA 129 3HB ALA 129 -4.573 -12.648 -1.146 726 H LYS 130 H LYS 130 -5.460 -10.898 2.863 727 HA LYS 130 HA LYS 130 -5.925 -13.779 3.551 728 1HB LYS 130 2HB LYS 130 -5.431 -13.228 5.855 729 2HB LYS 130 3HB LYS 130 -4.042 -13.091 4.777 730 1HG LYS 130 2HG LYS 130 -4.312 -10.608 4.726 731 2HG LYS 130 3HG LYS 130 -5.603 -10.720 5.928 732 1HD LYS 130 2HD LYS 130 -2.778 -11.795 6.294 733 2HD LYS 130 3HD LYS 130 -3.279 -10.181 6.808 734 1HE LYS 130 2HE LYS 130 -4.636 -10.933 8.541 735 2HE LYS 130 3HE LYS 130 -4.899 -12.524 7.835 736 1HZ LYS 130 1HZ LYS 130 -2.667 -13.121 8.351 737 2HZ LYS 130 2HZ LYS 130 -2.356 -11.640 9.006 738 3HZ LYS 130 3HZ LYS 130 -3.456 -12.642 9.709 739 H HIS 131 H HID 131 -7.992 -13.299 2.415 740 HA HIS 131 HA HID 131 -10.011 -12.558 4.346 741 1HB HIS 131 2HB HID 131 -9.217 -10.736 2.168 742 2HB HIS 131 3HB HID 131 -10.844 -11.332 1.893 743 HD1 HIS 131 1HD HID 131 -12.745 -10.419 3.461 744 HD2 HIS 131 2HD HID 131 -8.825 -9.402 4.616 745 HE1 HIS 131 1HE HID 131 -12.952 -8.735 5.373 746 H ASP 132 H ASP 132 -12.119 -13.248 3.456 747 HA ASP 132 HA ASP 132 -11.869 -15.751 1.941 748 1HB ASP 132 2HB ASP 132 -13.212 -15.689 4.041 749 2HB ASP 132 3HB ASP 132 -14.308 -14.521 3.280 Start of MODEL 20 1 H SER 32 H SER 32 16.888 0.069 15.892 2 HA SER 32 HA SER 32 17.669 -1.513 13.652 3 1HB SER 32 2HB SER 32 16.309 -2.870 16.029 4 2HB SER 32 3HB SER 32 16.060 -3.442 14.374 5 HG SER 32 HG SER 32 18.670 -3.052 15.384 6 H ASN 33 H ASN 33 15.732 -1.849 12.295 7 HA ASN 33 HA ASN 33 13.786 0.306 12.691 8 1HB ASN 33 2HB ASN 33 15.044 -0.391 10.487 9 2HB ASN 33 3HB ASN 33 13.778 -1.622 10.358 10 1HD2 ASN 33 1HD2 ASN 33 14.392 0.851 8.692 11 2HD2 ASN 33 2HD2 ASN 33 12.927 1.816 8.768 12 H LEU 34 H LEU 34 11.416 -0.294 12.237 13 HA LEU 34 HA LEU 34 10.681 -2.983 13.349 14 1HB LEU 34 2HB LEU 34 9.405 -0.261 13.795 15 2HB LEU 34 3HB LEU 34 8.439 -1.734 13.756 16 HG LEU 34 HG LEU 34 9.991 -2.725 15.518 17 1HD1 LEU 34 1HD1 LEU 34 11.131 -1.113 17.000 18 2HD1 LEU 34 2HD1 LEU 34 11.858 -1.090 15.392 19 3HD1 LEU 34 3HD1 LEU 34 10.751 0.212 15.883 20 1HD2 LEU 34 1HD2 LEU 34 8.765 -1.633 17.341 21 2HD2 LEU 34 2HD2 LEU 34 8.270 -0.324 16.247 22 3HD2 LEU 34 3HD2 LEU 34 7.695 -1.984 15.975 23 H ASN 35 H ASN 35 9.325 -4.173 12.043 24 HA ASN 35 HA ASN 35 8.352 -2.937 9.474 25 1HB ASN 35 2HB ASN 35 9.769 -5.612 9.856 26 2HB ASN 35 3HB ASN 35 8.845 -5.145 8.424 27 1HD2 ASN 35 1HD2 ASN 35 10.508 -2.311 9.396 28 2HD2 ASN 35 2HD2 ASN 35 11.931 -2.581 8.430 29 H LEU 36 H LEU 36 6.221 -2.767 10.351 30 HA LEU 36 HA LEU 36 4.841 -5.360 10.708 31 1HB LEU 36 2HB LEU 36 3.811 -4.850 12.686 32 2HB LEU 36 3HB LEU 36 5.489 -4.416 12.977 33 HG LEU 36 HG LEU 36 3.218 -2.462 12.340 34 1HD1 LEU 36 1HD1 LEU 36 4.599 -3.096 14.969 35 2HD1 LEU 36 2HD1 LEU 36 3.353 -1.857 14.702 36 3HD1 LEU 36 3HD1 LEU 36 2.948 -3.567 14.507 37 1HD2 LEU 36 1HD2 LEU 36 4.867 -0.738 13.169 38 2HD2 LEU 36 2HD2 LEU 36 6.125 -1.985 13.129 39 3HD2 LEU 36 3HD2 LEU 36 5.325 -1.459 11.628 40 H PHE 37 H PHE 37 2.409 -4.874 10.950 41 HA PHE 37 HA PHE 37 1.609 -3.490 8.503 42 1HB PHE 37 2HB PHE 37 0.033 -5.130 10.518 43 2HB PHE 37 3HB PHE 37 -0.578 -4.517 8.992 44 HD1 PHE 37 1HD PHE 37 1.191 -7.267 10.578 45 HD2 PHE 37 2HD PHE 37 0.506 -5.286 6.809 46 HE1 PHE 37 1HE PHE 37 1.976 -9.285 9.368 47 HE2 PHE 37 2HE PHE 37 1.361 -7.287 5.610 48 HZ PHE 37 HZ PHE 37 2.027 -9.311 6.886 49 H TYR 38 H TYR 38 1.023 -1.442 8.497 50 HA TYR 38 HA TYR 38 -0.220 -0.196 10.915 51 1HB TYR 38 2HB TYR 38 2.064 0.566 9.230 52 2HB TYR 38 3HB TYR 38 0.800 1.776 9.134 53 HD1 TYR 38 HD1 TYR 38 2.357 -0.381 11.818 54 HD2 TYR 38 HD2 TYR 38 0.888 3.503 10.689 55 HE1 TYR 38 HE1 TYR 38 2.943 0.494 14.066 56 HE2 TYR 38 HE2 TYR 38 1.346 4.324 12.977 57 HH TYR 38 HH TYR 38 2.911 2.371 15.469 58 H THR 39 H THR 39 -1.730 1.687 10.329 59 HA THR 39 HA THR 39 -3.641 0.504 8.477 60 HB THR 39 HB THR 39 -3.670 2.715 10.547 61 HG1 THR 39 1HG THR 39 -3.614 0.630 11.303 62 1HG2 THR 39 1HG2 THR 39 -5.281 3.363 8.829 63 2HG2 THR 39 2HG2 THR 39 -6.022 1.734 8.906 64 3HG2 THR 39 3HG2 THR 39 -6.060 2.807 10.320 65 HA PRO 40 HA PRO 40 -2.251 3.093 5.098 66 1HB PRO 40 2HB PRO 40 -4.553 3.325 3.586 67 2HB PRO 40 3HB PRO 40 -3.509 1.884 3.617 68 1HG PRO 40 2HG PRO 40 -5.988 2.372 5.273 69 2HG PRO 40 3HG PRO 40 -5.591 0.924 4.310 70 1HD PRO 40 2HD PRO 40 -5.163 0.908 6.921 71 2HD PRO 40 3HD PRO 40 -3.860 0.304 5.851 72 H SER 41 H SER 41 -5.452 3.998 6.504 73 HA SER 41 HA SER 41 -5.267 6.723 5.771 74 1HB SER 41 2HB SER 41 -7.352 5.579 6.564 75 2HB SER 41 3HB SER 41 -6.628 5.511 8.192 76 HG SER 41 HG SER 41 -6.460 7.912 7.910 77 H GLU 42 H GLU 42 -3.501 5.006 8.225 78 HA GLU 42 HA GLU 42 -3.089 7.216 10.046 79 1HB GLU 42 2HB GLU 42 -2.911 4.665 10.314 80 2HB GLU 42 3HB GLU 42 -1.276 4.798 9.641 81 1HG GLU 42 2HG GLU 42 -0.599 6.131 11.554 82 2HG GLU 42 3HG GLU 42 -2.278 6.235 12.123 83 H ILE 43 H ILE 43 -1.402 5.709 7.276 84 HA ILE 43 HA ILE 43 0.818 7.454 7.470 85 HB ILE 43 HB ILE 43 1.545 6.556 5.264 86 1HG1 ILE 43 2HG1 ILE 43 -0.621 4.508 5.867 87 2HG1 ILE 43 3HG1 ILE 43 -0.668 5.688 4.525 88 1HG2 ILE 43 1HG2 ILE 43 2.255 5.869 7.657 89 2HG2 ILE 43 2HG2 ILE 43 1.138 4.511 7.478 90 3HG2 ILE 43 3HG2 ILE 43 2.537 4.705 6.395 91 1HD1 ILE 43 1HD1 ILE 43 0.126 3.371 3.888 92 2HD1 ILE 43 2HD1 ILE 43 1.225 4.723 3.505 93 3HD1 ILE 43 3HD1 ILE 43 1.552 3.614 4.863 94 H VAL 44 H VAL 44 -2.237 8.181 6.298 95 HA VAL 44 HA VAL 44 -1.314 10.380 4.620 96 HB VAL 44 HB VAL 44 -3.722 9.018 4.797 97 1HG1 VAL 44 1HG1 VAL 44 -5.438 10.711 5.317 98 2HG1 VAL 44 2HG1 VAL 44 -4.482 10.350 6.754 99 3HG1 VAL 44 3HG1 VAL 44 -4.223 11.855 5.844 100 1HG2 VAL 44 1HG2 VAL 44 -3.166 11.732 3.538 101 2HG2 VAL 44 2HG2 VAL 44 -2.810 10.146 2.816 102 3HG2 VAL 44 3HG2 VAL 44 -4.488 10.628 3.107 103 H ASN 45 H ASN 45 -1.934 9.905 8.081 104 HA ASN 45 HA ASN 45 -2.799 12.681 8.414 105 1HB ASN 45 2HB ASN 45 -2.517 10.342 10.304 106 2HB ASN 45 3HB ASN 45 -2.715 11.988 10.910 107 1HD2 ASN 45 1HD2 ASN 45 -4.404 9.463 8.904 108 2HD2 ASN 45 2HD2 ASN 45 -5.959 10.227 9.177 109 H GLY 46 H GLY 46 -0.286 11.004 10.316 110 1HA GLY 46 1HA GLY 46 1.414 13.492 10.207 111 2HA GLY 46 2HA GLY 46 0.958 12.733 11.744 112 H LYS 47 H LYS 47 1.919 11.540 8.544 113 HA LYS 47 HA LYS 47 4.036 9.833 9.634 114 1HB LYS 47 2HB LYS 47 1.395 9.074 8.537 115 2HB LYS 47 3HB LYS 47 2.771 7.948 8.335 116 1HG LYS 47 2HG LYS 47 2.441 8.898 11.097 117 2HG LYS 47 3HG LYS 47 1.006 8.098 10.494 118 1HD LYS 47 2HD LYS 47 1.930 6.066 10.633 119 2HD LYS 47 3HD LYS 47 3.417 6.546 9.801 120 1HE LYS 47 2HE LYS 47 4.361 7.490 11.832 121 2HE LYS 47 3HE LYS 47 2.851 7.223 12.705 122 1HZ LYS 47 1HZ LYS 47 4.587 5.544 13.134 123 2HZ LYS 47 2HZ LYS 47 3.228 4.879 12.530 124 3HZ LYS 47 3HZ LYS 47 4.534 5.067 11.560 125 H THR 48 H THR 48 2.731 8.844 6.556 126 HA THR 48 HA THR 48 5.278 9.530 5.406 127 HB THR 48 HB THR 48 2.849 8.222 4.115 128 HG1 THR 48 1HG THR 48 5.084 7.083 5.443 129 1HG2 THR 48 1HG2 THR 48 5.823 8.221 3.410 130 2HG2 THR 48 2HG2 THR 48 4.585 7.206 2.643 131 3HG2 THR 48 3HG2 THR 48 4.516 8.961 2.469 132 H ASP 49 H ASP 49 1.855 10.330 4.559 133 HA ASP 49 HA ASP 49 2.235 11.945 2.339 134 1HB ASP 49 2HB ASP 49 0.025 11.454 3.065 135 2HB ASP 49 3HB ASP 49 0.318 12.130 4.681 136 H THR 50 H THR 50 1.953 13.213 5.654 137 HA THR 50 HA THR 50 3.058 15.744 4.870 138 HB THR 50 HB THR 50 2.453 14.771 7.673 139 HG1 THR 50 1HG THR 50 0.741 15.057 5.504 140 1HG2 THR 50 1HG2 THR 50 3.423 17.051 7.520 141 2HG2 THR 50 2HG2 THR 50 2.183 17.498 6.330 142 3HG2 THR 50 3HG2 THR 50 1.717 17.105 7.998 143 H GLY 51 H GLY 51 4.529 12.801 5.972 144 1HA GLY 51 1HA GLY 51 6.702 12.234 6.250 145 2HA GLY 51 2HA GLY 51 7.084 13.765 5.460 146 H VAL 52 H VAL 52 5.622 12.957 8.657 147 HA VAL 52 HA VAL 52 7.615 14.866 9.874 148 HB VAL 52 HB VAL 52 6.085 15.290 11.640 149 1HG1 VAL 52 1HG1 VAL 52 6.041 16.613 9.516 150 2HG1 VAL 52 2HG1 VAL 52 4.725 15.573 8.932 151 3HG1 VAL 52 3HG1 VAL 52 4.483 16.594 10.360 152 1HG2 VAL 52 1HG2 VAL 52 4.781 13.236 11.850 153 2HG2 VAL 52 2HG2 VAL 52 3.699 14.575 11.475 154 3HG2 VAL 52 3HG2 VAL 52 4.157 13.440 10.191 155 H LYS 53 H LYS 53 6.009 11.780 10.758 156 HA LYS 53 HA LYS 53 8.097 11.341 12.804 157 1HB LYS 53 2HB LYS 53 5.384 10.195 12.247 158 2HB LYS 53 3HB LYS 53 6.536 9.288 13.251 159 1HG LYS 53 2HG LYS 53 6.603 10.935 14.901 160 2HG LYS 53 3HG LYS 53 6.093 12.227 13.803 161 1HD LYS 53 2HD LYS 53 3.841 11.392 13.697 162 2HD LYS 53 3HD LYS 53 4.253 9.952 14.653 163 1HE LYS 53 2HE LYS 53 4.712 11.339 16.614 164 2HE LYS 53 3HE LYS 53 4.536 12.828 15.669 165 1HZ LYS 53 1HZ LYS 53 2.230 12.319 15.350 166 2HZ LYS 53 2HZ LYS 53 2.359 10.912 16.194 167 3HZ LYS 53 3HZ LYS 53 2.576 12.352 16.954 168 HA PRO 54 HA PRO 54 9.350 7.721 10.031 169 1HB PRO 54 2HB PRO 54 7.927 6.835 7.937 170 2HB PRO 54 3HB PRO 54 7.361 6.486 9.598 171 1HG PRO 54 2HG PRO 54 6.455 8.706 7.742 172 2HG PRO 54 3HG PRO 54 5.429 7.565 8.654 173 1HD PRO 54 2HD PRO 54 6.162 10.119 9.513 174 2HD PRO 54 3HD PRO 54 5.742 8.770 10.638 175 H GLU 55 H GLU 55 10.389 7.633 7.808 176 HA GLU 55 HA GLU 55 10.046 10.015 6.103 177 1HB GLU 55 2HB GLU 55 12.136 10.039 7.650 178 2HB GLU 55 3HB GLU 55 12.744 8.700 6.666 179 1HG GLU 55 2HG GLU 55 12.732 10.151 4.679 180 2HG GLU 55 3HG GLU 55 11.918 11.441 5.598 181 H ALA 56 H ALA 56 10.735 9.424 3.855 182 HA ALA 56 HA ALA 56 9.841 6.745 3.113 183 1HB ALA 56 1HB ALA 56 11.163 8.765 1.257 184 2HB ALA 56 2HB ALA 56 10.035 7.462 0.840 185 3HB ALA 56 3HB ALA 56 9.449 8.858 1.712 186 H GLY 57 H GLY 57 11.331 5.241 1.886 187 1HA GLY 57 1HA GLY 57 13.376 4.216 1.562 188 2HA GLY 57 2HA GLY 57 14.195 5.402 2.583 189 H GLN 58 H GLN 58 11.270 4.137 3.959 190 HA GLN 58 HA GLN 58 12.823 2.278 5.721 191 1HB GLN 58 2HB GLN 58 10.309 3.888 6.274 192 2HB GLN 58 3HB GLN 58 11.010 2.672 7.354 193 1HG GLN 58 2HG GLN 58 13.146 3.999 7.428 194 2HG GLN 58 3HG GLN 58 12.343 5.283 6.503 195 1HE2 GLN 58 1HE2 GLN 58 9.994 5.710 7.448 196 2HE2 GLN 58 2HE2 GLN 58 9.909 5.848 9.220 197 H ARG 59 H ARG 59 11.848 0.332 6.257 198 HA ARG 59 HA ARG 59 10.040 -0.715 4.190 199 1HB ARG 59 2HB ARG 59 12.375 -1.641 4.774 200 2HB ARG 59 3HB ARG 59 11.626 -2.335 6.206 201 1HG ARG 59 2HG ARG 59 10.825 -2.851 3.297 202 2HG ARG 59 3HG ARG 59 11.896 -3.855 4.269 203 1HD ARG 59 2HD ARG 59 9.886 -4.138 5.900 204 2HD ARG 59 3HD ARG 59 8.905 -3.448 4.630 205 HE ARG 59 HE ARG 59 9.123 -5.355 3.323 206 1HH1 ARG 59 2HH2 ARG 59 11.330 -5.633 6.137 207 2HH1 ARG 59 1HH2 ARG 59 11.922 -7.182 5.630 208 1HH2 ARG 59 1HH1 ARG 59 9.724 -7.424 2.814 209 2HH2 ARG 59 2HH1 ARG 59 10.881 -8.310 3.768 210 H ILE 60 H ILE 60 7.897 -1.043 4.759 211 HA ILE 60 HA ILE 60 7.188 -1.808 7.485 212 HB ILE 60 HB ILE 60 5.484 -0.152 7.826 213 1HG1 ILE 60 2HG1 ILE 60 6.486 1.754 5.779 214 2HG1 ILE 60 3HG1 ILE 60 5.479 0.432 5.166 215 1HG2 ILE 60 1HG2 ILE 60 7.688 0.310 8.817 216 2HG2 ILE 60 2HG2 ILE 60 8.138 1.276 7.396 217 3HG2 ILE 60 3HG2 ILE 60 6.812 1.801 8.435 218 1HD1 ILE 60 1HD1 ILE 60 3.688 1.016 6.743 219 2HD1 ILE 60 2HD1 ILE 60 4.671 2.355 7.380 220 3HD1 ILE 60 3HD1 ILE 60 4.106 2.385 5.697 221 H ARG 61 H ARG 61 4.543 -2.062 7.430 222 HA ARG 61 HA ARG 61 3.821 -2.949 4.714 223 1HB ARG 61 2HB ARG 61 2.778 -4.472 7.050 224 2HB ARG 61 3HB ARG 61 3.106 -5.032 5.423 225 1HG ARG 61 2HG ARG 61 5.590 -5.001 6.025 226 2HG ARG 61 3HG ARG 61 5.143 -4.457 7.622 227 1HD ARG 61 2HD ARG 61 3.723 -6.506 7.910 228 2HD ARG 61 3HD ARG 61 4.503 -7.186 6.510 229 HE ARG 61 HE ARG 61 5.653 -6.512 9.176 230 1HH1 ARG 61 2HH2 ARG 61 6.415 -7.863 5.968 231 2HH1 ARG 61 1HH2 ARG 61 7.929 -8.510 6.479 232 1HH2 ARG 61 1HH1 ARG 61 7.634 -7.211 9.779 233 2HH2 ARG 61 2HH1 ARG 61 8.593 -8.271 8.772 234 H VAL 62 H VAL 62 1.715 -2.542 4.162 235 HA VAL 62 HA VAL 62 0.187 -0.758 6.009 236 HB VAL 62 HB VAL 62 0.947 0.508 4.132 237 1HG1 VAL 62 1HG1 VAL 62 -0.359 -1.519 2.272 238 2HG1 VAL 62 2HG1 VAL 62 0.385 0.019 1.813 239 3HG1 VAL 62 3HG1 VAL 62 1.396 -1.274 2.465 240 1HG2 VAL 62 1HG2 VAL 62 -1.980 -0.221 3.696 241 2HG2 VAL 62 2HG2 VAL 62 -1.367 0.855 4.972 242 3HG2 VAL 62 3HG2 VAL 62 -1.172 1.295 3.262 243 H GLY 63 H GLY 63 -1.824 -1.546 6.587 244 1HA GLY 63 1HA GLY 63 -2.998 -3.774 4.984 245 2HA GLY 63 2HA GLY 63 -2.715 -3.967 6.728 246 H GLY 64 H GLY 64 -5.117 -3.368 4.533 247 1HA GLY 64 1HA GLY 64 -6.971 -2.280 6.353 248 2HA GLY 64 2HA GLY 64 -6.324 -0.939 5.386 249 H MET 65 H MET 65 -8.422 -0.692 4.206 250 HA MET 65 HA MET 65 -9.209 -3.133 2.723 251 1HB MET 65 2HB MET 65 -11.419 -2.305 2.668 252 2HB MET 65 3HB MET 65 -10.839 -2.525 4.304 253 1HG MET 65 2HG MET 65 -11.077 -0.370 4.871 254 2HG MET 65 3HG MET 65 -10.370 0.225 3.369 255 1HE MET 65 1HE MET 65 -13.181 0.417 0.864 256 2HE MET 65 2HE MET 65 -11.434 0.214 1.182 257 3HE MET 65 3HE MET 65 -12.510 -1.195 1.162 258 H VAL 66 H VAL 66 -9.270 -3.178 0.575 259 HA VAL 66 HA VAL 66 -8.046 -0.973 -0.862 260 HB VAL 66 HB VAL 66 -7.966 -2.382 -2.668 261 1HG1 VAL 66 1HG1 VAL 66 -6.492 -3.139 -0.785 262 2HG1 VAL 66 2HG1 VAL 66 -7.747 -4.296 -0.285 263 3HG1 VAL 66 3HG1 VAL 66 -6.972 -4.484 -1.846 264 1HG2 VAL 66 1HG2 VAL 66 -10.078 -3.161 -3.054 265 2HG2 VAL 66 2HG2 VAL 66 -9.150 -4.638 -2.762 266 3HG2 VAL 66 3HG2 VAL 66 -10.190 -3.980 -1.471 267 H THR 67 H THR 67 -9.086 0.419 -2.329 268 HA THR 67 HA THR 67 -11.979 0.700 -2.125 269 HB THR 67 HB THR 67 -9.765 2.180 -3.555 270 HG1 THR 67 1HG THR 67 -10.359 3.757 -2.096 271 1HG2 THR 67 1HG2 THR 67 -12.776 2.717 -3.659 272 2HG2 THR 67 2HG2 THR 67 -11.525 3.891 -4.127 273 3HG2 THR 67 3HG2 THR 67 -11.696 2.397 -5.043 274 H VAL 68 H VAL 68 -13.374 -0.127 -3.490 275 HA VAL 68 HA VAL 68 -13.028 -2.103 -5.291 276 HB VAL 68 HB VAL 68 -15.161 -1.503 -4.393 277 1HG1 VAL 68 1HG1 VAL 68 -15.297 0.929 -6.223 278 2HG1 VAL 68 2HG1 VAL 68 -16.516 0.361 -5.079 279 3HG1 VAL 68 3HG1 VAL 68 -14.986 1.000 -4.473 280 1HG2 VAL 68 1HG2 VAL 68 -16.606 -1.781 -6.337 281 2HG2 VAL 68 2HG2 VAL 68 -15.297 -1.302 -7.430 282 3HG2 VAL 68 3HG2 VAL 68 -15.169 -2.803 -6.486 283 H GLY 69 H GLY 69 -13.132 1.378 -6.212 284 1HA GLY 69 1HA GLY 69 -12.316 0.701 -9.003 285 2HA GLY 69 2HA GLY 69 -12.913 2.245 -8.392 286 H SER 70 H SER 70 -10.167 0.002 -7.565 287 HA SER 70 HA SER 70 -8.241 2.202 -8.051 288 1HB SER 70 2HB SER 70 -8.664 1.031 -5.275 289 2HB SER 70 3HB SER 70 -7.341 2.082 -5.768 290 HG SER 70 HG SER 70 -9.590 3.264 -6.524 291 H MET 71 H MET 71 -8.317 -0.030 -9.533 292 HA MET 71 HA MET 71 -5.730 -1.285 -8.780 293 1HB MET 71 2HB MET 71 -7.792 -2.718 -8.311 294 2HB MET 71 3HB MET 71 -8.061 -2.787 -10.049 295 1HG MET 71 2HG MET 71 -5.731 -3.869 -8.450 296 2HG MET 71 3HG MET 71 -7.042 -4.770 -9.229 297 1HE MET 71 1HE MET 71 -3.157 -3.291 -11.018 298 2HE MET 71 2HE MET 71 -4.117 -2.399 -9.809 299 3HE MET 71 3HE MET 71 -3.421 -3.962 -9.386 300 H VAL 72 H VAL 72 -4.402 -0.292 -10.367 301 HA VAL 72 HA VAL 72 -5.388 -0.488 -13.180 302 HB VAL 72 HB VAL 72 -4.435 1.597 -13.772 303 1HG1 VAL 72 1HG1 VAL 72 -6.792 1.528 -12.951 304 2HG1 VAL 72 2HG1 VAL 72 -6.222 2.003 -11.336 305 3HG1 VAL 72 3HG1 VAL 72 -6.014 3.101 -12.709 306 1HG2 VAL 72 1HG2 VAL 72 -3.663 3.239 -12.051 307 2HG2 VAL 72 2HG2 VAL 72 -3.663 1.930 -10.851 308 3HG2 VAL 72 3HG2 VAL 72 -2.586 1.859 -12.280 309 H ARG 73 H ARG 73 -4.021 -1.318 -14.578 310 HA ARG 73 HA ARG 73 -1.347 -2.198 -13.646 311 1HB ARG 73 2HB ARG 73 -1.861 -4.332 -14.894 312 2HB ARG 73 3HB ARG 73 -2.772 -4.101 -13.409 313 1HG ARG 73 2HG ARG 73 -4.112 -3.115 -15.907 314 2HG ARG 73 3HG ARG 73 -3.932 -4.861 -15.729 315 1HD ARG 73 2HD ARG 73 -5.106 -4.943 -13.678 316 2HD ARG 73 3HD ARG 73 -5.046 -3.181 -13.453 317 HE ARG 73 HE ARG 73 -6.434 -3.712 -15.854 318 1HH1 ARG 73 2HH2 ARG 73 -6.827 -3.980 -12.340 319 2HH1 ARG 73 1HH2 ARG 73 -8.555 -4.034 -12.364 320 1HH2 ARG 73 1HH1 ARG 73 -8.746 -3.525 -15.899 321 2HH2 ARG 73 2HH1 ARG 73 -9.662 -3.676 -14.432 322 H ASP 74 H ASP 74 0.306 -2.405 -15.266 323 HA ASP 74 HA ASP 74 -0.017 -0.541 -17.450 324 1HB ASP 74 2HB ASP 74 2.161 -2.328 -16.323 325 2HB ASP 74 3HB ASP 74 2.320 -1.778 -17.977 326 HA PRO 75 HA PRO 75 -0.803 -3.620 -20.713 327 1HB PRO 75 2HB PRO 75 0.424 -2.465 -22.868 328 2HB PRO 75 3HB PRO 75 -1.065 -1.769 -22.163 329 1HG PRO 75 2HG PRO 75 1.801 -0.943 -21.596 330 2HG PRO 75 3HG PRO 75 0.435 0.115 -22.049 331 1HD PRO 75 2HD PRO 75 1.170 -0.237 -19.457 332 2HD PRO 75 3HD PRO 75 -0.554 -0.103 -19.898 333 H ASN 76 H ASN 76 2.361 -2.532 -19.716 334 HA ASN 76 HA ASN 76 3.993 -4.602 -20.706 335 1HB ASN 76 2HB ASN 76 3.962 -3.352 -17.910 336 2HB ASN 76 3HB ASN 76 5.243 -4.357 -18.585 337 1HD2 ASN 76 1HD2 ASN 76 4.488 -1.036 -18.088 338 2HD2 ASN 76 2HD2 ASN 76 5.511 -0.482 -19.379 339 H SER 77 H SER 77 1.359 -4.701 -18.307 340 HA SER 77 HA SER 77 0.308 -6.324 -17.247 341 1HB SER 77 2HB SER 77 1.708 -8.279 -19.113 342 2HB SER 77 3HB SER 77 0.272 -8.587 -18.136 343 HG SER 77 HG SER 77 0.176 -7.712 -20.515 344 H LEU 78 H LEU 78 3.143 -5.555 -16.497 345 HA LEU 78 HA LEU 78 3.410 -7.575 -14.322 346 1HB LEU 78 2HB LEU 78 5.856 -6.779 -14.218 347 2HB LEU 78 3HB LEU 78 5.387 -8.063 -15.314 348 HG LEU 78 HG LEU 78 5.239 -5.329 -16.508 349 1HD1 LEU 78 1HD1 LEU 78 7.215 -5.006 -15.144 350 2HD1 LEU 78 2HD1 LEU 78 7.927 -6.512 -15.767 351 3HD1 LEU 78 3HD1 LEU 78 7.639 -5.137 -16.862 352 1HD2 LEU 78 1HD2 LEU 78 4.918 -7.623 -17.626 353 2HD2 LEU 78 2HD2 LEU 78 6.075 -6.543 -18.436 354 3HD2 LEU 78 3HD2 LEU 78 6.654 -7.879 -17.415 355 H HIS 79 H HID 79 3.715 -4.074 -15.266 356 HA HIS 79 HA HID 79 4.263 -3.396 -12.450 357 1HB HIS 79 2HB HID 79 3.992 -1.792 -15.003 358 2HB HIS 79 3HB HID 79 4.043 -1.036 -13.411 359 HD1 HIS 79 1HD HID 79 6.381 -1.651 -11.942 360 HD2 HIS 79 2HD HID 79 6.324 -2.211 -16.116 361 HE1 HIS 79 1HE HID 79 8.813 -1.745 -12.700 362 H VAL 80 H VAL 80 2.675 -2.821 -11.034 363 HA VAL 80 HA VAL 80 -0.021 -2.190 -12.027 364 HB VAL 80 HB VAL 80 -0.986 -3.967 -10.568 365 1HG1 VAL 80 1HG1 VAL 80 0.835 -5.319 -12.558 366 2HG1 VAL 80 2HG1 VAL 80 -0.802 -5.775 -12.053 367 3HG1 VAL 80 3HG1 VAL 80 -0.543 -4.333 -13.054 368 1HG2 VAL 80 1HG2 VAL 80 0.511 -4.648 -9.006 369 2HG2 VAL 80 2HG2 VAL 80 0.687 -5.963 -10.186 370 3HG2 VAL 80 3HG2 VAL 80 1.909 -4.717 -10.119 371 H GLN 81 H GLN 81 -1.283 -1.054 -10.500 372 HA GLN 81 HA GLN 81 -0.053 -0.597 -7.868 373 1HB GLN 81 2HB GLN 81 -0.045 1.860 -8.126 374 2HB GLN 81 3HB GLN 81 1.173 1.051 -9.124 375 1HG GLN 81 2HG GLN 81 0.242 1.630 -11.081 376 2HG GLN 81 3HG GLN 81 -1.403 1.440 -10.485 377 1HE2 GLN 81 1HE2 GLN 81 -2.400 3.163 -9.228 378 2HE2 GLN 81 2HE2 GLN 81 -1.820 4.807 -9.425 379 H PHE 82 H PHE 82 -1.393 0.560 -6.404 380 HA PHE 82 HA PHE 82 -4.238 0.782 -7.111 381 1HB PHE 82 2HB PHE 82 -4.817 -0.873 -5.327 382 2HB PHE 82 3HB PHE 82 -4.164 -1.568 -6.790 383 HD1 PHE 82 1HD PHE 82 -2.410 -3.159 -6.639 384 HD2 PHE 82 2HD PHE 82 -3.136 -0.504 -3.321 385 HE1 PHE 82 1HE PHE 82 -1.073 -4.630 -5.160 386 HE2 PHE 82 2HE PHE 82 -1.775 -1.967 -1.857 387 HZ PHE 82 HZ PHE 82 -0.881 -4.103 -2.728 388 H ALA 83 H ALA 83 -5.511 1.455 -5.240 389 HA ALA 83 HA ALA 83 -3.918 3.126 -3.339 390 1HB ALA 83 1HB ALA 83 -5.290 4.538 -4.786 391 2HB ALA 83 2HB ALA 83 -6.747 3.616 -4.337 392 3HB ALA 83 3HB ALA 83 -5.879 4.532 -3.116 393 H VAL 84 H VAL 84 -4.265 2.857 -1.219 394 HA VAL 84 HA VAL 84 -6.347 0.862 -0.352 395 HB VAL 84 HB VAL 84 -3.692 1.251 1.066 396 1HG1 VAL 84 1HG1 VAL 84 -5.655 0.178 2.259 397 2HG1 VAL 84 2HG1 VAL 84 -5.669 -1.083 1.022 398 3HG1 VAL 84 3HG1 VAL 84 -4.259 -0.897 2.087 399 1HG2 VAL 84 1HG2 VAL 84 -3.039 0.432 -1.129 400 2HG2 VAL 84 2HG2 VAL 84 -2.947 -0.893 0.036 401 3HG2 VAL 84 3HG2 VAL 84 -4.321 -0.807 -1.088 402 H HIS 85 H HID 85 -7.544 1.497 1.531 403 HA HIS 85 HA HID 85 -6.713 3.936 2.932 404 1HB HIS 85 2HB HID 85 -8.551 5.258 2.428 405 2HB HIS 85 3HB HID 85 -8.234 4.527 0.866 406 HD1 HIS 85 1HD HID 85 -10.894 4.958 3.466 407 HD2 HIS 85 2HD HID 85 -9.962 2.285 0.354 408 HE1 HIS 85 1HE HID 85 -13.074 3.824 2.809 409 H ASP 86 H ASP 86 -8.773 4.322 4.667 410 HA ASP 86 HA ASP 86 -9.997 1.751 5.240 411 1HB ASP 86 2HB ASP 86 -7.779 2.046 6.672 412 2HB ASP 86 3HB ASP 86 -8.781 3.138 7.639 413 H SER 87 H SER 87 -11.439 2.216 7.257 414 HA SER 87 HA SER 87 -13.559 3.969 6.618 415 1HB SER 87 2HB SER 87 -14.193 3.505 9.004 416 2HB SER 87 3HB SER 87 -13.807 2.042 8.080 417 HG SER 87 HG SER 87 -11.725 2.028 9.063 418 H LEU 88 H LEU 88 -10.534 4.503 8.325 419 HA LEU 88 HA LEU 88 -11.225 6.975 9.573 420 1HB LEU 88 2HB LEU 88 -8.676 5.560 8.880 421 2HB LEU 88 3HB LEU 88 -8.633 7.122 9.717 422 HG LEU 88 HG LEU 88 -10.287 4.830 10.832 423 1HD1 LEU 88 1HD1 LEU 88 -8.107 3.856 10.425 424 2HD1 LEU 88 2HD1 LEU 88 -7.291 5.241 11.192 425 3HD1 LEU 88 3HD1 LEU 88 -8.304 4.146 12.161 426 1HD2 LEU 88 1HD2 LEU 88 -9.791 5.960 12.964 427 2HD2 LEU 88 2HD2 LEU 88 -8.758 7.137 12.132 428 3HD2 LEU 88 3HD2 LEU 88 -10.508 7.115 11.827 429 H GLY 89 H GLY 89 -10.879 6.331 6.259 430 1HA GLY 89 1HA GLY 89 -11.611 7.942 4.765 431 2HA GLY 89 2HA GLY 89 -11.118 9.247 5.847 432 H GLY 90 H GLY 90 -8.366 8.260 6.287 433 1HA GLY 90 1HA GLY 90 -7.110 9.578 4.095 434 2HA GLY 90 2HA GLY 90 -6.333 8.633 5.382 435 H GLU 91 H GLU 91 -6.105 8.776 2.295 436 HA GLU 91 HA GLU 91 -6.192 5.877 1.683 437 1HB GLU 91 2HB GLU 91 -8.024 7.068 0.553 438 2HB GLU 91 3HB GLU 91 -6.900 8.263 -0.096 439 1HG GLU 91 2HG GLU 91 -6.362 5.376 -0.777 440 2HG GLU 91 3HG GLU 91 -7.775 6.145 -1.496 441 H ILE 92 H ILE 92 -4.407 5.197 0.348 442 HA ILE 92 HA ILE 92 -2.420 7.190 -0.375 443 HB ILE 92 HB ILE 92 -1.877 6.515 1.998 444 1HG1 ILE 92 2HG1 ILE 92 0.498 6.007 1.682 445 2HG1 ILE 92 3HG1 ILE 92 0.244 5.675 -0.032 446 1HG2 ILE 92 1HG2 ILE 92 -1.192 4.332 2.545 447 2HG2 ILE 92 2HG2 ILE 92 -2.702 4.115 1.685 448 3HG2 ILE 92 3HG2 ILE 92 -1.161 3.785 0.863 449 1HD1 ILE 92 1HD1 ILE 92 1.149 7.969 0.512 450 2HD1 ILE 92 2HD1 ILE 92 -0.348 8.019 -0.429 451 3HD1 ILE 92 3HD1 ILE 92 -0.384 8.343 1.321 452 H LEU 93 H LEU 93 -1.083 6.525 -2.021 453 HA LEU 93 HA LEU 93 -2.062 4.224 -3.552 454 1HB LEU 93 2HB LEU 93 -0.552 6.760 -4.094 455 2HB LEU 93 3HB LEU 93 -0.229 5.407 -5.187 456 HG LEU 93 HG LEU 93 -3.069 6.316 -4.623 457 1HD1 LEU 93 1HD1 LEU 93 -1.799 8.295 -5.416 458 2HD1 LEU 93 2HD1 LEU 93 -1.171 7.344 -6.785 459 3HD1 LEU 93 3HD1 LEU 93 -2.906 7.702 -6.666 460 1HD2 LEU 93 1HD2 LEU 93 -1.665 4.923 -6.962 461 2HD2 LEU 93 2HD2 LEU 93 -2.707 4.122 -5.768 462 3HD2 LEU 93 3HD2 LEU 93 -3.401 5.303 -6.889 463 H VAL 94 H VAL 94 -0.911 2.461 -4.073 464 HA VAL 94 HA VAL 94 1.855 2.108 -3.021 465 HB VAL 94 HB VAL 94 -0.508 0.189 -2.991 466 1HG1 VAL 94 1HG1 VAL 94 1.604 -1.022 -3.327 467 2HG1 VAL 94 2HG1 VAL 94 2.342 -0.143 -1.968 468 3HG1 VAL 94 3HG1 VAL 94 1.007 -1.284 -1.684 469 1HG2 VAL 94 1HG2 VAL 94 -0.334 0.330 -0.524 470 2HG2 VAL 94 2HG2 VAL 94 0.896 1.600 -0.684 471 3HG2 VAL 94 3HG2 VAL 94 -0.770 1.887 -1.229 472 H THR 95 H THR 95 3.243 1.399 -4.598 473 HA THR 95 HA THR 95 2.136 0.475 -7.206 474 HB THR 95 HB THR 95 4.400 1.186 -8.039 475 HG1 THR 95 1HG THR 95 5.175 1.035 -5.697 476 1HG2 THR 95 1HG2 THR 95 4.068 3.619 -7.861 477 2HG2 THR 95 2HG2 THR 95 2.515 2.815 -8.174 478 3HG2 THR 95 3HG2 THR 95 2.913 3.397 -6.539 479 H TYR 96 H TYR 96 2.927 -1.428 -8.122 480 HA TYR 96 HA TYR 96 4.728 -3.166 -6.516 481 1HB TYR 96 2HB TYR 96 2.158 -3.402 -6.178 482 2HB TYR 96 3HB TYR 96 2.116 -3.943 -7.827 483 HD1 TYR 96 HD1 TYR 96 4.074 -5.913 -8.247 484 HD2 TYR 96 HD2 TYR 96 1.893 -5.107 -4.631 485 HE1 TYR 96 HE1 TYR 96 4.133 -8.320 -7.681 486 HE2 TYR 96 HE2 TYR 96 2.204 -7.475 -3.965 487 HH TYR 96 HH TYR 96 3.904 -9.433 -4.774 488 H ASP 97 H ASP 97 6.339 -3.981 -7.909 489 HA ASP 97 HA ASP 97 6.012 -3.499 -10.801 490 1HB ASP 97 2HB ASP 97 8.480 -3.410 -10.711 491 2HB ASP 97 3HB ASP 97 7.713 -2.216 -9.658 492 H ASP 98 H ASP 98 4.709 -5.798 -10.074 493 HA ASP 98 HA ASP 98 5.771 -7.629 -11.838 494 1HB ASP 98 2HB ASP 98 7.275 -8.099 -9.708 495 2HB ASP 98 3HB ASP 98 5.829 -8.872 -9.061 496 H LEU 99 H LEU 99 4.316 -9.762 -11.580 497 HA LEU 99 HA LEU 99 1.577 -8.788 -11.625 498 1HB LEU 99 2HB LEU 99 2.715 -11.613 -11.842 499 2HB LEU 99 3HB LEU 99 0.997 -11.216 -11.903 500 HG LEU 99 HG LEU 99 1.750 -9.494 -13.784 501 1HD1 LEU 99 1HD1 LEU 99 3.860 -11.695 -14.001 502 2HD1 LEU 99 2HD1 LEU 99 3.515 -10.465 -15.233 503 3HD1 LEU 99 3HD1 LEU 99 4.186 -9.981 -13.674 504 1HD2 LEU 99 1HD2 LEU 99 0.114 -11.283 -14.074 505 2HD2 LEU 99 2HD2 LEU 99 1.206 -11.212 -15.465 506 3HD2 LEU 99 3HD2 LEU 99 1.416 -12.483 -14.238 507 H LEU 100 H LEU 100 -0.037 -8.991 -10.174 508 HA LEU 100 HA LEU 100 0.645 -9.543 -7.400 509 1HB LEU 100 2HB LEU 100 -2.037 -9.012 -8.787 510 2HB LEU 100 3HB LEU 100 -1.790 -8.961 -7.048 511 HG LEU 100 HG LEU 100 -0.803 -7.060 -9.168 512 1HD1 LEU 100 1HD1 LEU 100 -2.196 -6.584 -6.540 513 2HD1 LEU 100 2HD1 LEU 100 -1.875 -5.371 -7.797 514 3HD1 LEU 100 3HD1 LEU 100 -3.019 -6.679 -8.133 515 1HD2 LEU 100 1HD2 LEU 100 0.191 -7.419 -6.314 516 2HD2 LEU 100 2HD2 LEU 100 1.154 -7.313 -7.816 517 3HD2 LEU 100 3HD2 LEU 100 0.347 -5.876 -7.166 518 HA PRO 101 HA PRO 101 -0.915 -13.798 -7.327 519 1HB PRO 101 2HB PRO 101 -2.052 -13.976 -4.827 520 2HB PRO 101 3HB PRO 101 -0.298 -13.877 -5.102 521 1HG PRO 101 2HG PRO 101 -2.144 -11.561 -4.426 522 2HG PRO 101 3HG PRO 101 -0.629 -11.995 -3.617 523 1HD PRO 101 2HD PRO 101 -0.687 -10.121 -5.549 524 2HD PRO 101 3HD PRO 101 0.667 -11.276 -5.497 525 H ASP 102 H ASP 102 -3.570 -12.563 -5.316 526 HA ASP 102 HA ASP 102 -5.576 -13.474 -6.996 527 1HB ASP 102 2HB ASP 102 -5.724 -11.333 -4.821 528 2HB ASP 102 3HB ASP 102 -7.037 -12.393 -5.349 529 H LEU 103 H LEU 103 -3.983 -11.531 -8.608 530 HA LEU 103 HA LEU 103 -3.938 -9.582 -9.670 531 1HB LEU 103 2HB LEU 103 -5.539 -9.243 -11.188 532 2HB LEU 103 3HB LEU 103 -5.763 -10.932 -10.780 533 HG LEU 103 HG LEU 103 -7.522 -9.308 -9.083 534 1HD1 LEU 103 1HD1 LEU 103 -7.736 -8.738 -12.053 535 2HD1 LEU 103 2HD1 LEU 103 -8.884 -8.239 -10.787 536 3HD1 LEU 103 3HD1 LEU 103 -7.242 -7.577 -10.802 537 1HD2 LEU 103 1HD2 LEU 103 -9.272 -10.619 -10.158 538 2HD2 LEU 103 2HD2 LEU 103 -8.133 -11.172 -11.406 539 3HD2 LEU 103 3HD2 LEU 103 -7.911 -11.665 -9.711 540 H PHE 104 H PHE 104 -5.104 -9.385 -6.648 541 HA PHE 104 HA PHE 104 -5.916 -7.873 -5.212 542 1HB PHE 104 2HB PHE 104 -4.253 -6.315 -6.207 543 2HB PHE 104 3HB PHE 104 -5.485 -5.718 -7.295 544 HD1 PHE 104 1HD PHE 104 -7.293 -4.243 -6.410 545 HD2 PHE 104 2HD PHE 104 -4.133 -5.765 -3.889 546 HE1 PHE 104 1HE PHE 104 -7.275 -2.126 -5.132 547 HE2 PHE 104 2HE PHE 104 -4.230 -3.704 -2.531 548 HZ PHE 104 HZ PHE 104 -5.706 -1.836 -3.214 549 H ARG 105 H ARG 105 -7.960 -8.880 -5.258 550 HA ARG 105 HA ARG 105 -9.891 -8.227 -7.363 551 1HB ARG 105 2HB ARG 105 -10.274 -9.560 -4.657 552 2HB ARG 105 3HB ARG 105 -11.503 -9.458 -5.903 553 1HG ARG 105 2HG ARG 105 -10.499 -11.103 -7.203 554 2HG ARG 105 3HG ARG 105 -8.893 -10.694 -6.636 555 1HD ARG 105 2HD ARG 105 -9.394 -12.855 -5.694 556 2HD ARG 105 3HD ARG 105 -9.296 -11.670 -4.433 557 HE ARG 105 HE ARG 105 -11.487 -11.952 -3.890 558 1HH1 ARG 105 2HH2 ARG 105 -10.878 -13.381 -7.029 559 2HH1 ARG 105 1HH2 ARG 105 -12.333 -14.330 -7.105 560 1HH2 ARG 105 1HH1 ARG 105 -13.483 -13.161 -3.929 561 2HH2 ARG 105 2HH1 ARG 105 -13.875 -14.160 -5.290 562 H GLU 106 H GLU 106 -11.898 -7.057 -6.893 563 HA GLU 106 HA GLU 106 -11.192 -4.580 -5.586 564 1HB GLU 106 2HB GLU 106 -13.878 -5.145 -6.827 565 2HB GLU 106 3HB GLU 106 -12.939 -3.666 -6.802 566 1HG GLU 106 2HG GLU 106 -12.316 -6.068 -8.569 567 2HG GLU 106 3HG GLU 106 -13.044 -4.546 -9.036 568 H GLY 107 H GLY 107 -11.622 -4.128 -3.520 569 1HA GLY 107 1HA GLY 107 -12.677 -3.945 -1.486 570 2HA GLY 107 2HA GLY 107 -14.132 -4.609 -2.227 571 H GLN 108 H GLN 108 -10.860 -5.707 -1.094 572 HA GLN 108 HA GLN 108 -12.051 -7.817 0.552 573 1HB GLN 108 2HB GLN 108 -10.662 -9.519 -0.452 574 2HB GLN 108 3HB GLN 108 -11.960 -8.983 -1.536 575 1HG GLN 108 2HG GLN 108 -10.558 -8.132 -3.077 576 2HG GLN 108 3HG GLN 108 -9.447 -7.421 -1.933 577 1HE2 GLN 108 1HE2 GLN 108 -7.597 -8.071 -3.118 578 2HE2 GLN 108 2HE2 GLN 108 -7.072 -9.756 -3.084 579 H GLY 109 H GLY 109 -11.010 -6.015 1.718 580 1HA GLY 109 1HA GLY 109 -8.655 -4.876 1.737 581 2HA GLY 109 2HA GLY 109 -9.291 -5.424 3.309 582 H ILE 110 H ILE 110 -6.481 -5.198 1.789 583 HA ILE 110 HA ILE 110 -5.481 -7.926 2.450 584 HB ILE 110 HB ILE 110 -4.077 -8.069 0.529 585 1HG1 ILE 110 2HG1 ILE 110 -4.769 -6.621 -1.526 586 2HG1 ILE 110 3HG1 ILE 110 -5.226 -5.406 -0.324 587 1HG2 ILE 110 1HG2 ILE 110 -6.814 -7.588 -0.595 588 2HG2 ILE 110 2HG2 ILE 110 -5.638 -8.839 -1.012 589 3HG2 ILE 110 3HG2 ILE 110 -6.505 -8.935 0.532 590 1HD1 ILE 110 1HD1 ILE 110 -2.923 -5.333 0.486 591 2HD1 ILE 110 2HD1 ILE 110 -2.502 -6.787 -0.467 592 3HD1 ILE 110 3HD1 ILE 110 -2.877 -5.258 -1.281 593 H VAL 111 H VAL 111 -3.057 -7.893 2.585 594 HA VAL 111 HA VAL 111 -2.156 -5.273 3.682 595 HB VAL 111 HB VAL 111 -0.987 -6.340 5.387 596 1HG1 VAL 111 1HG1 VAL 111 -2.761 -7.177 6.782 597 2HG1 VAL 111 2HG1 VAL 111 -3.476 -5.955 5.719 598 3HG1 VAL 111 3HG1 VAL 111 -3.728 -7.671 5.382 599 1HG2 VAL 111 1HG2 VAL 111 -0.294 -8.456 4.296 600 2HG2 VAL 111 2HG2 VAL 111 -1.064 -8.766 5.857 601 3HG2 VAL 111 3HG2 VAL 111 -1.978 -9.030 4.362 602 H ALA 112 H ALA 112 -0.260 -4.523 2.982 603 HA ALA 112 HA ALA 112 1.221 -6.090 0.920 604 1HB ALA 112 1HB ALA 112 0.703 -3.099 0.902 605 2HB ALA 112 2HB ALA 112 1.434 -4.085 -0.375 606 3HB ALA 112 3HB ALA 112 -0.289 -4.262 0.013 607 H GLN 113 H GLN 113 3.464 -6.042 1.178 608 HA GLN 113 HA GLN 113 4.606 -4.360 3.354 609 1HB GLN 113 2HB GLN 113 6.024 -6.864 2.721 610 2HB GLN 113 3HB GLN 113 5.772 -6.092 4.236 611 1HG GLN 113 2HG GLN 113 3.390 -6.938 4.247 612 2HG GLN 113 3HG GLN 113 3.721 -7.781 2.751 613 1HE2 GLN 113 1HE2 GLN 113 6.477 -8.805 3.473 614 2HE2 GLN 113 2HE2 GLN 113 6.097 -10.020 4.655 615 H GLY 114 H GLY 114 6.563 -3.322 2.935 616 1HA GLY 114 1HA GLY 114 8.497 -4.000 1.139 617 2HA GLY 114 2HA GLY 114 7.373 -3.076 0.143 618 H VAL 115 H VAL 115 8.522 -1.150 -0.148 619 HA VAL 115 HA VAL 115 9.571 0.153 2.298 620 HB VAL 115 HB VAL 115 11.318 -1.181 1.135 621 1HG1 VAL 115 1HG1 VAL 115 11.082 0.895 -1.084 622 2HG1 VAL 115 2HG1 VAL 115 12.269 -0.414 -0.960 623 3HG1 VAL 115 3HG1 VAL 115 10.559 -0.801 -1.217 624 1HG2 VAL 115 1HG2 VAL 115 11.976 0.621 2.575 625 2HG2 VAL 115 2HG2 VAL 115 13.037 0.578 1.166 626 3HG2 VAL 115 3HG2 VAL 115 11.770 1.812 1.275 627 H LEU 116 H LEU 116 9.358 2.266 2.430 628 HA LEU 116 HA LEU 116 7.642 3.612 0.414 629 1HB LEU 116 2HB LEU 116 8.769 4.378 3.139 630 2HB LEU 116 3HB LEU 116 7.917 5.520 2.081 631 HG LEU 116 HG LEU 116 5.938 4.135 2.057 632 1HD1 LEU 116 1HD1 LEU 116 6.582 1.881 2.241 633 2HD1 LEU 116 2HD1 LEU 116 7.442 2.173 3.777 634 3HD1 LEU 116 3HD1 LEU 116 5.668 2.256 3.688 635 1HD2 LEU 116 1HD2 LEU 116 5.144 4.529 4.261 636 2HD2 LEU 116 2HD2 LEU 116 6.799 4.511 4.932 637 3HD2 LEU 116 3HD2 LEU 116 6.280 5.826 3.854 638 H GLY 117 H GLY 117 8.443 5.608 -0.743 639 1HA GLY 117 1HA GLY 117 11.234 6.322 -0.576 640 2HA GLY 117 2HA GLY 117 10.978 5.181 -1.914 641 H GLU 118 H GLU 118 8.500 6.029 -2.906 642 HA GLU 118 HA GLU 118 9.215 8.448 -4.278 643 1HB GLU 118 2HB GLU 118 6.439 7.299 -3.864 644 2HB GLU 118 3HB GLU 118 6.976 8.387 -5.156 645 1HG GLU 118 2HG GLU 118 8.620 6.510 -5.789 646 2HG GLU 118 3HG GLU 118 7.689 5.476 -4.689 647 H ASP 119 H ASP 119 7.972 10.452 -4.095 648 HA ASP 119 HA ASP 119 7.978 11.284 -1.345 649 1HB ASP 119 2HB ASP 119 9.073 12.615 -3.143 650 2HB ASP 119 3HB ASP 119 7.510 12.834 -3.956 651 H GLY 120 H GLY 120 6.162 9.723 -1.175 652 1HA GLY 120 1HA GLY 120 3.993 10.039 -0.040 653 2HA GLY 120 2HA GLY 120 3.454 11.036 -1.390 654 H LYS 121 H LYS 121 5.271 8.109 -2.182 655 HA LYS 121 HA LYS 121 2.845 6.464 -2.312 656 1HB LYS 121 2HB LYS 121 4.435 7.297 -4.756 657 2HB LYS 121 3HB LYS 121 4.040 5.591 -4.578 658 1HG LYS 121 2HG LYS 121 2.235 6.219 -5.749 659 2HG LYS 121 3HG LYS 121 1.639 6.384 -4.106 660 1HD LYS 121 2HD LYS 121 0.910 8.424 -5.012 661 2HD LYS 121 3HD LYS 121 2.447 8.881 -4.303 662 1HE LYS 121 2HE LYS 121 2.410 9.863 -6.443 663 2HE LYS 121 3HE LYS 121 3.561 8.520 -6.546 664 1HZ LYS 121 1HZ LYS 121 0.771 8.429 -7.481 665 2HZ LYS 121 2HZ LYS 121 2.098 8.625 -8.435 666 3HZ LYS 121 3HZ LYS 121 1.885 7.219 -7.621 667 H LEU 122 H LEU 122 3.304 4.182 -2.441 668 HA LEU 122 HA LEU 122 5.876 3.595 -1.020 669 1HB LEU 122 2HB LEU 122 3.385 1.920 -0.809 670 2HB LEU 122 3HB LEU 122 4.786 2.025 0.243 671 HG LEU 122 HG LEU 122 2.283 3.687 0.115 672 1HD1 LEU 122 1HD1 LEU 122 2.617 3.410 2.623 673 2HD1 LEU 122 2HD1 LEU 122 2.338 1.941 1.683 674 3HD1 LEU 122 3HD1 LEU 122 3.965 2.357 2.247 675 1HD2 LEU 122 1HD2 LEU 122 3.687 5.230 1.861 676 2HD2 LEU 122 2HD2 LEU 122 4.853 5.050 0.534 677 3HD2 LEU 122 3HD2 LEU 122 3.237 5.667 0.218 678 H ALA 123 H ALA 123 7.091 1.721 -1.648 679 HA ALA 123 HA ALA 123 6.178 0.407 -4.167 680 1HB ALA 123 1HB ALA 123 8.943 0.626 -2.924 681 2HB ALA 123 2HB ALA 123 8.521 -0.224 -4.423 682 3HB ALA 123 3HB ALA 123 8.340 1.539 -4.323 683 H ALA 124 H ALA 124 4.969 -1.358 -3.592 684 HA ALA 124 HA ALA 124 6.050 -3.160 -1.465 685 1HB ALA 124 1HB ALA 124 3.136 -2.439 -1.834 686 2HB ALA 124 2HB ALA 124 3.811 -3.559 -0.644 687 3HB ALA 124 3HB ALA 124 4.175 -1.826 -0.522 688 H THR 125 H THR 125 6.570 -5.010 -2.369 689 HA THR 125 HA THR 125 4.951 -6.029 -4.650 690 HB THR 125 HB THR 125 7.175 -5.487 -5.333 691 HG1 THR 125 1HG THR 125 6.135 -7.338 -6.203 692 1HG2 THR 125 1HG2 THR 125 8.128 -7.491 -3.237 693 2HG2 THR 125 2HG2 THR 125 9.119 -6.731 -4.497 694 3HG2 THR 125 3HG2 THR 125 8.422 -5.735 -3.213 695 H GLU 126 H GLU 126 5.437 -6.472 -1.311 696 HA GLU 126 HA GLU 126 4.964 -9.420 -1.405 697 1HB GLU 126 2HB GLU 126 5.451 -7.471 0.832 698 2HB GLU 126 3HB GLU 126 5.435 -9.224 1.009 699 1HG GLU 126 2HG GLU 126 7.550 -9.365 -0.224 700 2HG GLU 126 3HG GLU 126 7.511 -7.636 -0.603 701 H VAL 127 H VAL 127 2.577 -9.335 -2.128 702 HA VAL 127 HA VAL 127 0.826 -8.020 -0.070 703 HB VAL 127 HB VAL 127 -1.002 -8.068 -1.594 704 1HG1 VAL 127 1HG1 VAL 127 -0.058 -6.247 -3.161 705 2HG1 VAL 127 2HG1 VAL 127 -0.053 -6.013 -1.408 706 3HG1 VAL 127 3HG1 VAL 127 1.448 -6.430 -2.228 707 1HG2 VAL 127 1HG2 VAL 127 0.933 -9.207 -3.614 708 2HG2 VAL 127 2HG2 VAL 127 -0.662 -9.761 -3.094 709 3HG2 VAL 127 3HG2 VAL 127 -0.532 -8.296 -4.065 710 H LEU 128 H LEU 128 -0.494 -9.135 1.151 711 HA LEU 128 HA LEU 128 -0.668 -12.106 0.755 712 1HB LEU 128 2HB LEU 128 -0.598 -10.598 3.365 713 2HB LEU 128 3HB LEU 128 -0.632 -12.333 3.138 714 HG LEU 128 HG LEU 128 1.497 -11.707 3.904 715 1HD1 LEU 128 1HD1 LEU 128 1.496 -13.497 2.220 716 2HD1 LEU 128 2HD1 LEU 128 1.828 -12.295 0.946 717 3HD1 LEU 128 3HD1 LEU 128 3.011 -12.562 2.244 718 1HD2 LEU 128 1HD2 LEU 128 1.555 -9.314 3.177 719 2HD2 LEU 128 2HD2 LEU 128 3.053 -10.234 2.933 720 3HD2 LEU 128 3HD2 LEU 128 2.039 -9.867 1.560 721 H ALA 129 H ALA 129 -2.721 -12.334 -0.025 722 HA ALA 129 HA ALA 129 -4.956 -10.686 0.916 723 1HB ALA 129 1HB ALA 129 -6.281 -11.997 -0.660 724 2HB ALA 129 2HB ALA 129 -4.808 -11.375 -1.432 725 3HB ALA 129 3HB ALA 129 -4.906 -13.085 -0.951 726 H LYS 130 H LYS 130 -4.150 -11.565 3.181 727 HA LYS 130 HA LYS 130 -5.007 -14.232 3.870 728 1HB LYS 130 2HB LYS 130 -4.477 -13.689 6.130 729 2HB LYS 130 3HB LYS 130 -3.193 -13.173 5.018 730 1HG LYS 130 2HG LYS 130 -4.373 -10.826 5.141 731 2HG LYS 130 3HG LYS 130 -5.143 -11.445 6.597 732 1HD LYS 130 2HD LYS 130 -2.115 -11.296 6.079 733 2HD LYS 130 3HD LYS 130 -3.063 -10.077 6.916 734 1HE LYS 130 2HE LYS 130 -1.950 -11.345 8.583 735 2HE LYS 130 3HE LYS 130 -3.678 -11.698 8.696 736 1HZ LYS 130 1HZ LYS 130 -2.258 -13.648 8.888 737 2HZ LYS 130 2HZ LYS 130 -3.269 -13.780 7.608 738 3HZ LYS 130 3HZ LYS 130 -1.680 -13.423 7.365 739 H HIS 131 H HID 131 -6.804 -11.266 3.679 740 HA HIS 131 HA HID 131 -8.898 -12.094 5.575 741 1HB HIS 131 2HB HID 131 -8.048 -9.696 4.192 742 2HB HIS 131 3HB HID 131 -9.784 -9.832 4.076 743 HD1 HIS 131 1HD HID 131 -10.909 -10.458 6.821 744 HD2 HIS 131 2HD HID 131 -7.354 -8.238 6.132 745 HE1 HIS 131 1HE HID 131 -10.517 -8.994 8.860 746 H ASP 132 H ASP 132 -8.759 -14.164 4.048 747 HA ASP 132 HA ASP 132 -10.409 -14.161 1.672 748 1HB ASP 132 2HB ASP 132 -8.881 -15.988 2.134 749 2HB ASP 132 3HB ASP 132 -9.676 -16.336 3.682 Start of MODEL 21 1 H SER 32 H SER 32 17.459 -0.757 15.673 2 HA SER 32 HA SER 32 16.972 -3.617 15.059 3 1HB SER 32 2HB SER 32 14.745 -3.197 16.359 4 2HB SER 32 3HB SER 32 16.216 -3.574 17.277 5 HG SER 32 HG SER 32 16.470 -1.479 17.813 6 H ASN 33 H ASN 33 15.366 -3.891 13.473 7 HA ASN 33 HA ASN 33 14.956 -1.500 11.823 8 1HB ASN 33 2HB ASN 33 15.796 -3.871 11.069 9 2HB ASN 33 3HB ASN 33 14.083 -4.286 11.027 10 1HD2 ASN 33 1HD2 ASN 33 12.720 -2.140 9.795 11 2HD2 ASN 33 2HD2 ASN 33 13.577 -1.730 8.339 12 H LEU 34 H LEU 34 13.036 -0.375 12.016 13 HA LEU 34 HA LEU 34 10.673 -1.477 13.281 14 1HB LEU 34 2HB LEU 34 11.385 1.041 12.890 15 2HB LEU 34 3HB LEU 34 10.710 0.806 11.280 16 HG LEU 34 HG LEU 34 8.660 -0.211 12.780 17 1HD1 LEU 34 1HD1 LEU 34 9.893 1.994 14.497 18 2HD1 LEU 34 2HD1 LEU 34 8.360 1.152 14.800 19 3HD1 LEU 34 3HD1 LEU 34 9.894 0.267 14.910 20 1HD2 LEU 34 1HD2 LEU 34 7.566 2.000 12.576 21 2HD2 LEU 34 2HD2 LEU 34 9.132 2.732 12.161 22 3HD2 LEU 34 3HD2 LEU 34 8.397 1.520 11.087 23 H ASN 35 H ASN 35 9.143 -2.871 12.222 24 HA ASN 35 HA ASN 35 8.606 -2.470 9.420 25 1HB ASN 35 2HB ASN 35 10.729 -3.902 9.385 26 2HB ASN 35 3HB ASN 35 9.774 -5.209 10.067 27 1HD2 ASN 35 1HD2 ASN 35 11.039 -4.352 7.286 28 2HD2 ASN 35 2HD2 ASN 35 9.743 -4.720 6.150 29 H LEU 36 H LEU 36 6.377 -2.229 10.002 30 HA LEU 36 HA LEU 36 5.006 -4.710 10.829 31 1HB LEU 36 2HB LEU 36 3.804 -3.684 12.586 32 2HB LEU 36 3HB LEU 36 5.517 -3.510 12.934 33 HG LEU 36 HG LEU 36 3.844 -1.259 11.694 34 1HD1 LEU 36 1HD1 LEU 36 4.373 -1.855 14.628 35 2HD1 LEU 36 2HD1 LEU 36 3.636 -0.372 13.989 36 3HD1 LEU 36 3HD1 LEU 36 2.801 -1.920 13.798 37 1HD2 LEU 36 1HD2 LEU 36 5.598 0.172 12.779 38 2HD2 LEU 36 2HD2 LEU 36 6.498 -1.296 13.204 39 3HD2 LEU 36 3HD2 LEU 36 6.258 -0.839 11.501 40 H PHE 37 H PHE 37 2.648 -4.510 10.741 41 HA PHE 37 HA PHE 37 1.773 -3.218 8.249 42 1HB PHE 37 2HB PHE 37 0.311 -5.027 10.208 43 2HB PHE 37 3HB PHE 37 -0.319 -4.449 8.682 44 HD1 PHE 37 1HD PHE 37 1.594 -7.084 10.276 45 HD2 PHE 37 2HD PHE 37 0.697 -5.211 6.497 46 HE1 PHE 37 1HE PHE 37 2.354 -9.116 9.081 47 HE2 PHE 37 2HE PHE 37 1.629 -7.176 5.304 48 HZ PHE 37 HZ PHE 37 2.456 -9.133 6.577 49 H TYR 38 H TYR 38 1.014 -1.212 8.266 50 HA TYR 38 HA TYR 38 -0.377 -0.212 10.716 51 1HB TYR 38 2HB TYR 38 1.858 0.805 9.287 52 2HB TYR 38 3HB TYR 38 0.510 1.809 8.785 53 HD1 TYR 38 HD1 TYR 38 1.705 0.190 11.989 54 HD2 TYR 38 HD2 TYR 38 0.378 3.803 10.043 55 HE1 TYR 38 HE1 TYR 38 1.942 1.435 14.124 56 HE2 TYR 38 HE2 TYR 38 0.694 5.054 12.153 57 HH TYR 38 HH TYR 38 1.139 4.893 14.415 58 H THR 39 H THR 39 -2.157 1.356 10.365 59 HA THR 39 HA THR 39 -4.012 0.412 8.403 60 HB THR 39 HB THR 39 -5.153 2.625 9.439 61 HG1 THR 39 1HG THR 39 -4.033 3.444 11.059 62 1HG2 THR 39 1HG2 THR 39 -4.601 0.075 11.021 63 2HG2 THR 39 2HG2 THR 39 -5.881 1.259 11.373 64 3HG2 THR 39 3HG2 THR 39 -5.927 0.334 9.860 65 HA PRO 40 HA PRO 40 -2.703 3.169 5.165 66 1HB PRO 40 2HB PRO 40 -4.982 3.485 3.694 67 2HB PRO 40 3HB PRO 40 -4.027 1.972 3.770 68 1HG PRO 40 2HG PRO 40 -6.500 2.632 5.383 69 2HG PRO 40 3HG PRO 40 -6.184 1.167 4.411 70 1HD PRO 40 2HD PRO 40 -5.726 1.192 7.078 71 2HD PRO 40 3HD PRO 40 -4.568 0.397 5.966 72 H SER 41 H SER 41 -5.790 3.999 6.832 73 HA SER 41 HA SER 41 -6.168 6.649 6.148 74 1HB SER 41 2HB SER 41 -7.062 6.651 8.634 75 2HB SER 41 3HB SER 41 -7.807 5.568 7.417 76 HG SER 41 HG SER 41 -6.103 4.933 9.577 77 H GLU 42 H GLU 42 -4.158 5.336 8.779 78 HA GLU 42 HA GLU 42 -3.279 7.674 9.991 79 1HB GLU 42 2HB GLU 42 -2.396 4.831 9.785 80 2HB GLU 42 3HB GLU 42 -1.018 5.923 9.890 81 1HG GLU 42 2HG GLU 42 -1.761 5.227 12.113 82 2HG GLU 42 3HG GLU 42 -1.904 6.977 11.895 83 H ILE 43 H ILE 43 -1.807 5.912 7.266 84 HA ILE 43 HA ILE 43 0.312 7.877 7.006 85 HB ILE 43 HB ILE 43 1.019 6.413 5.107 86 1HG1 ILE 43 2HG1 ILE 43 -1.034 4.451 6.063 87 2HG1 ILE 43 3HG1 ILE 43 -1.106 5.388 4.548 88 1HG2 ILE 43 1HG2 ILE 43 0.623 4.988 7.783 89 2HG2 ILE 43 2HG2 ILE 43 1.985 4.790 6.665 90 3HG2 ILE 43 3HG2 ILE 43 1.795 6.295 7.563 91 1HD1 ILE 43 1HD1 ILE 43 1.004 3.325 5.335 92 2HD1 ILE 43 2HD1 ILE 43 -0.191 3.202 4.051 93 3HD1 ILE 43 3HD1 ILE 43 1.120 4.380 3.906 94 H VAL 44 H VAL 44 -2.366 8.938 6.592 95 HA VAL 44 HA VAL 44 -1.908 10.216 3.947 96 HB VAL 44 HB VAL 44 -4.565 9.917 5.373 97 1HG1 VAL 44 1HG1 VAL 44 -3.712 10.874 2.598 98 2HG1 VAL 44 2HG1 VAL 44 -5.377 10.449 2.997 99 3HG1 VAL 44 3HG1 VAL 44 -4.606 11.795 3.830 100 1HG2 VAL 44 1HG2 VAL 44 -5.057 8.214 3.645 101 2HG2 VAL 44 2HG2 VAL 44 -3.367 8.298 3.100 102 3HG2 VAL 44 3HG2 VAL 44 -3.781 7.701 4.722 103 H ASN 45 H ASN 45 -2.034 10.709 7.442 104 HA ASN 45 HA ASN 45 -2.139 13.685 6.971 105 1HB ASN 45 2HB ASN 45 -3.814 12.177 8.993 106 2HB ASN 45 3HB ASN 45 -3.668 13.930 8.844 107 1HD2 ASN 45 1HD2 ASN 45 -5.105 11.030 7.438 108 2HD2 ASN 45 2HD2 ASN 45 -6.292 11.889 6.481 109 H GLY 46 H GLY 46 0.100 13.813 7.401 110 1HA GLY 46 1HA GLY 46 1.790 14.408 8.841 111 2HA GLY 46 2HA GLY 46 0.637 14.356 10.181 112 H LYS 47 H LYS 47 1.774 11.934 7.874 113 HA LYS 47 HA LYS 47 3.336 10.379 9.766 114 1HB LYS 47 2HB LYS 47 0.804 9.260 8.603 115 2HB LYS 47 3HB LYS 47 2.125 8.236 9.186 116 1HG LYS 47 2HG LYS 47 1.296 8.237 11.187 117 2HG LYS 47 3HG LYS 47 1.774 9.910 11.347 118 1HD LYS 47 2HD LYS 47 -0.624 10.242 10.060 119 2HD LYS 47 3HD LYS 47 -0.889 8.647 10.752 120 1HE LYS 47 2HE LYS 47 -1.797 10.070 12.344 121 2HE LYS 47 3HE LYS 47 -0.203 9.706 13.027 122 1HZ LYS 47 1HZ LYS 47 -0.963 12.094 11.456 123 2HZ LYS 47 2HZ LYS 47 -0.714 12.078 13.093 124 3HZ LYS 47 3HZ LYS 47 0.539 11.828 12.034 125 H THR 48 H THR 48 3.086 8.181 7.496 126 HA THR 48 HA THR 48 5.219 8.853 5.980 127 HB THR 48 HB THR 48 2.886 7.061 5.399 128 HG1 THR 48 1HG THR 48 3.817 5.816 6.815 129 1HG2 THR 48 1HG2 THR 48 4.554 5.741 4.055 130 2HG2 THR 48 2HG2 THR 48 4.003 7.252 3.308 131 3HG2 THR 48 3HG2 THR 48 5.582 7.200 4.117 132 H ASP 49 H ASP 49 1.798 9.221 4.685 133 HA ASP 49 HA ASP 49 2.195 10.296 2.248 134 1HB ASP 49 2HB ASP 49 0.020 10.292 2.907 135 2HB ASP 49 3HB ASP 49 0.339 11.056 4.488 136 H THR 50 H THR 50 2.236 12.261 5.168 137 HA THR 50 HA THR 50 3.225 14.571 3.866 138 HB THR 50 HB THR 50 3.123 14.218 6.851 139 HG1 THR 50 1HG THR 50 0.936 13.886 5.087 140 1HG2 THR 50 1HG2 THR 50 3.478 16.476 5.850 141 2HG2 THR 50 2HG2 THR 50 1.941 16.312 4.970 142 3HG2 THR 50 3HG2 THR 50 1.947 16.384 6.745 143 H GLY 51 H GLY 51 4.911 11.858 4.956 144 1HA GLY 51 1HA GLY 51 7.042 11.357 5.483 145 2HA GLY 51 2HA GLY 51 7.474 12.788 4.534 146 H VAL 52 H VAL 52 5.605 12.766 7.596 147 HA VAL 52 HA VAL 52 7.681 14.583 8.740 148 HB VAL 52 HB VAL 52 6.123 15.073 10.500 149 1HG1 VAL 52 1HG1 VAL 52 6.117 16.392 8.431 150 2HG1 VAL 52 2HG1 VAL 52 4.909 15.311 7.723 151 3HG1 VAL 52 3HG1 VAL 52 4.493 16.299 9.135 152 1HG2 VAL 52 1HG2 VAL 52 3.782 14.327 10.387 153 2HG2 VAL 52 2HG2 VAL 52 4.199 13.192 9.084 154 3HG2 VAL 52 3HG2 VAL 52 4.867 12.976 10.719 155 H LYS 53 H LYS 53 6.207 11.426 9.503 156 HA LYS 53 HA LYS 53 8.117 11.068 11.671 157 1HB LYS 53 2HB LYS 53 5.694 9.637 10.694 158 2HB LYS 53 3HB LYS 53 6.930 8.625 11.454 159 1HG LYS 53 2HG LYS 53 5.926 11.194 12.738 160 2HG LYS 53 3HG LYS 53 5.132 9.626 12.978 161 1HD LYS 53 2HD LYS 53 7.188 8.631 13.837 162 2HD LYS 53 3HD LYS 53 8.098 10.130 13.574 163 1HE LYS 53 2HE LYS 53 6.774 11.336 15.202 164 2HE LYS 53 3HE LYS 53 5.642 9.983 15.352 165 1HZ LYS 53 1HZ LYS 53 7.227 10.067 17.174 166 2HZ LYS 53 2HZ LYS 53 7.426 8.680 16.316 167 3HZ LYS 53 3HZ LYS 53 8.493 9.920 16.137 168 HA PRO 54 HA PRO 54 10.279 7.959 8.983 169 1HB PRO 54 2HB PRO 54 9.444 7.058 6.581 170 2HB PRO 54 3HB PRO 54 8.665 6.503 8.093 171 1HG PRO 54 2HG PRO 54 7.734 8.720 6.239 172 2HG PRO 54 3HG PRO 54 6.791 7.338 6.870 173 1HD PRO 54 2HD PRO 54 6.763 9.830 8.041 174 2HD PRO 54 3HD PRO 54 6.606 8.320 8.993 175 H GLU 55 H GLU 55 11.998 8.235 7.513 176 HA GLU 55 HA GLU 55 12.122 10.831 6.040 177 1HB GLU 55 2HB GLU 55 14.312 8.973 7.059 178 2HB GLU 55 3HB GLU 55 14.547 10.510 6.220 179 1HG GLU 55 2HG GLU 55 13.345 11.694 8.062 180 2HG GLU 55 3HG GLU 55 13.199 10.162 8.941 181 H ALA 56 H ALA 56 10.629 8.847 4.953 182 HA ALA 56 HA ALA 56 10.362 7.302 3.273 183 1HB ALA 56 1HB ALA 56 10.619 8.337 1.169 184 2HB ALA 56 2HB ALA 56 10.006 9.503 2.388 185 3HB ALA 56 3HB ALA 56 11.727 9.554 1.873 186 H GLY 57 H GLY 57 12.182 6.165 4.356 187 1HA GLY 57 1HA GLY 57 13.631 4.726 2.216 188 2HA GLY 57 2HA GLY 57 14.709 5.587 3.330 189 H GLN 58 H GLN 58 11.659 4.075 4.343 190 HA GLN 58 HA GLN 58 13.187 2.018 5.892 191 1HB GLN 58 2HB GLN 58 10.736 3.656 6.620 192 2HB GLN 58 3HB GLN 58 11.418 2.361 7.619 193 1HG GLN 58 2HG GLN 58 13.216 3.612 8.291 194 2HG GLN 58 3HG GLN 58 13.388 4.480 6.790 195 1HE2 GLN 58 1HE2 GLN 58 11.397 4.359 9.736 196 2HE2 GLN 58 2HE2 GLN 58 10.893 6.037 9.632 197 H ARG 59 H ARG 59 12.053 0.074 6.313 198 HA ARG 59 HA ARG 59 10.301 -0.690 4.085 199 1HB ARG 59 2HB ARG 59 12.553 -1.843 4.740 200 2HB ARG 59 3HB ARG 59 11.608 -2.639 6.001 201 1HG ARG 59 2HG ARG 59 10.069 -3.511 4.174 202 2HG ARG 59 3HG ARG 59 11.066 -2.646 3.000 203 1HD ARG 59 2HD ARG 59 12.113 -4.652 2.758 204 2HD ARG 59 3HD ARG 59 13.047 -4.061 4.105 205 HE ARG 59 HE ARG 59 12.074 -5.581 5.543 206 1HH1 ARG 59 2HH2 ARG 59 10.491 -5.801 2.383 207 2HH1 ARG 59 1HH2 ARG 59 9.644 -7.270 2.751 208 1HH2 ARG 59 1HH1 ARG 59 10.761 -7.385 6.126 209 2HH2 ARG 59 2HH1 ARG 59 9.534 -7.952 5.034 210 H ILE 60 H ILE 60 8.104 -0.848 4.541 211 HA ILE 60 HA ILE 60 7.213 -1.453 7.295 212 HB ILE 60 HB ILE 60 5.702 0.309 7.462 213 1HG1 ILE 60 2HG1 ILE 60 6.532 1.609 4.847 214 2HG1 ILE 60 3HG1 ILE 60 5.185 0.476 4.915 215 1HG2 ILE 60 1HG2 ILE 60 8.033 0.827 8.135 216 2HG2 ILE 60 2HG2 ILE 60 8.299 1.617 6.565 217 3HG2 ILE 60 3HG2 ILE 60 7.107 2.270 7.701 218 1HD1 ILE 60 1HD1 ILE 60 4.127 1.823 6.734 219 2HD1 ILE 60 2HD1 ILE 60 5.342 3.089 6.417 220 3HD1 ILE 60 3HD1 ILE 60 4.197 2.589 5.154 221 H ARG 61 H ARG 61 4.601 -1.622 7.174 222 HA ARG 61 HA ARG 61 3.843 -2.627 4.514 223 1HB ARG 61 2HB ARG 61 2.812 -4.206 6.784 224 2HB ARG 61 3HB ARG 61 3.362 -4.765 5.228 225 1HG ARG 61 2HG ARG 61 5.742 -4.498 6.086 226 2HG ARG 61 3HG ARG 61 5.090 -4.018 7.630 227 1HD ARG 61 2HD ARG 61 3.832 -6.180 7.751 228 2HD ARG 61 3HD ARG 61 4.829 -6.751 6.388 229 HE ARG 61 HE ARG 61 6.547 -5.622 8.325 230 1HH1 ARG 61 2HH2 ARG 61 4.675 -8.512 7.777 231 2HH1 ARG 61 1HH2 ARG 61 5.443 -9.463 9.018 232 1HH2 ARG 61 1HH1 ARG 61 7.237 -6.637 10.287 233 2HH2 ARG 61 2HH1 ARG 61 7.034 -8.359 10.458 234 H VAL 62 H VAL 62 1.614 -2.542 4.151 235 HA VAL 62 HA VAL 62 0.083 -0.801 6.025 236 HB VAL 62 HB VAL 62 0.794 0.512 4.130 237 1HG1 VAL 62 1HG1 VAL 62 0.084 0.066 1.849 238 2HG1 VAL 62 2HG1 VAL 62 1.120 -1.240 2.425 239 3HG1 VAL 62 3HG1 VAL 62 -0.644 -1.478 2.331 240 1HG2 VAL 62 1HG2 VAL 62 -1.406 0.958 5.112 241 2HG2 VAL 62 2HG2 VAL 62 -1.388 1.315 3.374 242 3HG2 VAL 62 3HG2 VAL 62 -2.174 -0.159 3.957 243 H GLY 63 H GLY 63 -2.058 -1.464 6.389 244 1HA GLY 63 1HA GLY 63 -3.094 -3.831 4.899 245 2HA GLY 63 2HA GLY 63 -2.876 -3.912 6.665 246 H GLY 64 H GLY 64 -5.187 -3.456 4.349 247 1HA GLY 64 1HA GLY 64 -7.159 -2.387 6.086 248 2HA GLY 64 2HA GLY 64 -6.542 -1.075 5.059 249 H MET 65 H MET 65 -8.930 -1.225 4.276 250 HA MET 65 HA MET 65 -9.358 -3.515 2.462 251 1HB MET 65 2HB MET 65 -11.573 -2.553 2.016 252 2HB MET 65 3HB MET 65 -11.299 -3.195 3.627 253 1HG MET 65 2HG MET 65 -11.001 -0.230 3.064 254 2HG MET 65 3HG MET 65 -12.589 -0.943 3.301 255 1HE MET 65 1HE MET 65 -13.528 -1.944 5.485 256 2HE MET 65 2HE MET 65 -12.200 -3.122 5.649 257 3HE MET 65 3HE MET 65 -12.612 -2.057 7.006 258 H VAL 66 H VAL 66 -9.294 -3.450 0.360 259 HA VAL 66 HA VAL 66 -8.163 -1.227 -1.122 260 HB VAL 66 HB VAL 66 -7.718 -3.314 -2.020 261 1HG1 VAL 66 1HG1 VAL 66 -9.497 -5.015 -2.616 262 2HG1 VAL 66 2HG1 VAL 66 -9.073 -4.838 -0.920 263 3HG1 VAL 66 3HG1 VAL 66 -10.570 -4.093 -1.530 264 1HG2 VAL 66 1HG2 VAL 66 -8.824 -3.397 -4.206 265 2HG2 VAL 66 2HG2 VAL 66 -10.169 -2.424 -3.630 266 3HG2 VAL 66 3HG2 VAL 66 -8.549 -1.699 -3.760 267 H THR 67 H THR 67 -9.252 0.504 -1.911 268 HA THR 67 HA THR 67 -11.733 1.395 -1.358 269 HB THR 67 HB THR 67 -10.151 1.720 -3.928 270 HG1 THR 67 1HG THR 67 -9.318 3.569 -2.584 271 1HG2 THR 67 1HG2 THR 67 -12.252 2.845 -4.242 272 2HG2 THR 67 2HG2 THR 67 -12.190 3.554 -2.602 273 3HG2 THR 67 3HG2 THR 67 -11.054 4.073 -3.869 274 H VAL 68 H VAL 68 -11.480 0.222 -4.706 275 HA VAL 68 HA VAL 68 -13.369 -1.759 -4.639 276 HB VAL 68 HB VAL 68 -15.120 -0.379 -3.805 277 1HG1 VAL 68 1HG1 VAL 68 -14.257 1.875 -4.144 278 2HG1 VAL 68 2HG1 VAL 68 -14.391 1.707 -5.910 279 3HG1 VAL 68 3HG1 VAL 68 -15.846 1.727 -4.894 280 1HG2 VAL 68 1HG2 VAL 68 -15.534 -0.453 -6.766 281 2HG2 VAL 68 2HG2 VAL 68 -15.626 -1.857 -5.662 282 3HG2 VAL 68 3HG2 VAL 68 -16.740 -0.483 -5.455 283 H GLY 69 H GLY 69 -12.301 1.165 -6.428 284 1HA GLY 69 1HA GLY 69 -11.725 -0.595 -8.785 285 2HA GLY 69 2HA GLY 69 -12.683 0.883 -8.965 286 H SER 70 H SER 70 -10.061 0.813 -6.599 287 HA SER 70 HA SER 70 -8.699 2.904 -8.093 288 1HB SER 70 2HB SER 70 -7.980 1.707 -5.410 289 2HB SER 70 3HB SER 70 -7.306 3.158 -6.192 290 HG SER 70 HG SER 70 -8.944 3.880 -4.864 291 H MET 71 H MET 71 -8.491 -0.494 -8.183 292 HA MET 71 HA MET 71 -5.648 -0.840 -8.426 293 1HB MET 71 2HB MET 71 -7.053 -2.728 -7.821 294 2HB MET 71 3HB MET 71 -8.086 -2.427 -9.205 295 1HG MET 71 2HG MET 71 -7.047 -4.382 -9.690 296 2HG MET 71 3HG MET 71 -6.322 -3.198 -10.757 297 1HE MET 71 1HE MET 71 -2.674 -3.110 -9.461 298 2HE MET 71 2HE MET 71 -3.853 -2.608 -10.709 299 3HE MET 71 3HE MET 71 -4.000 -2.008 -9.043 300 H VAL 72 H VAL 72 -4.484 0.071 -10.125 301 HA VAL 72 HA VAL 72 -5.667 -0.190 -12.846 302 HB VAL 72 HB VAL 72 -4.627 1.885 -13.541 303 1HG1 VAL 72 1HG1 VAL 72 -6.515 2.313 -11.181 304 2HG1 VAL 72 2HG1 VAL 72 -6.252 3.409 -12.548 305 3HG1 VAL 72 3HG1 VAL 72 -7.009 1.831 -12.818 306 1HG2 VAL 72 1HG2 VAL 72 -3.889 3.566 -11.881 307 2HG2 VAL 72 2HG2 VAL 72 -4.010 2.353 -10.592 308 3HG2 VAL 72 3HG2 VAL 72 -2.834 2.146 -11.921 309 H ARG 73 H ARG 73 -4.315 -1.004 -14.359 310 HA ARG 73 HA ARG 73 -1.656 -1.949 -13.437 311 1HB ARG 73 2HB ARG 73 -2.161 -4.139 -14.365 312 2HB ARG 73 3HB ARG 73 -3.333 -3.714 -13.095 313 1HG ARG 73 2HG ARG 73 -4.991 -3.088 -14.819 314 2HG ARG 73 3HG ARG 73 -3.880 -3.637 -16.083 315 1HD ARG 73 2HD ARG 73 -4.995 -5.394 -13.838 316 2HD ARG 73 3HD ARG 73 -5.629 -5.282 -15.463 317 HE ARG 73 HE ARG 73 -3.831 -6.367 -16.403 318 1HH1 ARG 73 2HH2 ARG 73 -3.302 -6.059 -12.920 319 2HH1 ARG 73 1HH2 ARG 73 -2.148 -7.349 -12.824 320 1HH2 ARG 73 1HH1 ARG 73 -2.297 -8.069 -16.311 321 2HH2 ARG 73 2HH1 ARG 73 -1.542 -8.494 -14.812 322 H ASP 74 H ASP 74 -0.038 -1.716 -14.988 323 HA ASP 74 HA ASP 74 -0.874 -0.248 -17.376 324 1HB ASP 74 2HB ASP 74 1.845 -1.132 -16.378 325 2HB ASP 74 3HB ASP 74 1.554 -0.087 -17.782 326 HA PRO 75 HA PRO 75 -0.777 -3.934 -19.896 327 1HB PRO 75 2HB PRO 75 -0.545 -2.900 -22.439 328 2HB PRO 75 3HB PRO 75 -2.005 -2.658 -21.437 329 1HG PRO 75 2HG PRO 75 0.348 -0.764 -21.736 330 2HG PRO 75 3HG PRO 75 -1.388 -0.384 -21.942 331 1HD PRO 75 2HD PRO 75 -0.098 0.092 -19.596 332 2HD PRO 75 3HD PRO 75 -1.778 -0.520 -19.600 333 H ASN 76 H ASN 76 1.902 -2.518 -18.921 334 HA ASN 76 HA ASN 76 3.836 -3.943 -20.608 335 1HB ASN 76 2HB ASN 76 4.075 -2.782 -17.809 336 2HB ASN 76 3HB ASN 76 5.398 -3.340 -18.858 337 1HD2 ASN 76 1HD2 ASN 76 3.680 -0.577 -17.834 338 2HD2 ASN 76 2HD2 ASN 76 4.161 0.472 -19.145 339 H SER 77 H SER 77 1.717 -4.460 -17.823 340 HA SER 77 HA SER 77 1.101 -6.315 -16.729 341 1HB SER 77 2HB SER 77 3.366 -7.978 -17.882 342 2HB SER 77 3HB SER 77 1.879 -8.512 -17.107 343 HG SER 77 HG SER 77 2.175 -7.221 -19.607 344 H LEU 78 H LEU 78 4.242 -4.966 -16.620 345 HA LEU 78 HA LEU 78 4.928 -6.260 -14.035 346 1HB LEU 78 2HB LEU 78 7.212 -5.419 -14.551 347 2HB LEU 78 3HB LEU 78 6.556 -6.702 -15.562 348 HG LEU 78 HG LEU 78 6.083 -5.143 -17.386 349 1HD1 LEU 78 1HD1 LEU 78 7.195 -3.058 -15.459 350 2HD1 LEU 78 2HD1 LEU 78 6.962 -2.776 -17.200 351 3HD1 LEU 78 3HD1 LEU 78 5.565 -3.105 -16.166 352 1HD2 LEU 78 1HD2 LEU 78 8.904 -4.873 -16.317 353 2HD2 LEU 78 2HD2 LEU 78 8.253 -6.238 -17.252 354 3HD2 LEU 78 3HD2 LEU 78 8.374 -4.635 -18.001 355 H HIS 79 H HID 79 3.144 -3.657 -14.719 356 HA HIS 79 HA HID 79 4.076 -2.287 -12.275 357 1HB HIS 79 2HB HID 79 3.477 -1.023 -14.968 358 2HB HIS 79 3HB HID 79 3.271 -0.153 -13.451 359 HD1 HIS 79 1HD HID 79 5.761 -0.484 -11.856 360 HD2 HIS 79 2HD HID 79 5.723 -0.348 -16.062 361 HE1 HIS 79 1HE HID 79 8.081 0.298 -12.586 362 H VAL 80 H VAL 80 2.458 -2.196 -10.888 363 HA VAL 80 HA VAL 80 -0.358 -2.122 -11.744 364 HB VAL 80 HB VAL 80 -0.446 -4.025 -9.780 365 1HG1 VAL 80 1HG1 VAL 80 -0.272 -4.499 -12.773 366 2HG1 VAL 80 2HG1 VAL 80 -0.818 -5.707 -11.595 367 3HG1 VAL 80 3HG1 VAL 80 -1.714 -4.191 -11.766 368 1HG2 VAL 80 1HG2 VAL 80 2.051 -4.364 -9.807 369 2HG2 VAL 80 2HG2 VAL 80 1.102 -5.810 -10.163 370 3HG2 VAL 80 3HG2 VAL 80 1.911 -4.948 -11.477 371 H GLN 81 H GLN 81 -1.352 -0.572 -10.414 372 HA GLN 81 HA GLN 81 -0.219 -0.331 -7.664 373 1HB GLN 81 2HB GLN 81 -0.228 2.125 -7.878 374 2HB GLN 81 3HB GLN 81 0.999 1.341 -8.896 375 1HG GLN 81 2HG GLN 81 -0.287 1.648 -10.893 376 2HG GLN 81 3HG GLN 81 -1.717 2.111 -9.950 377 1HE2 GLN 81 1HE2 GLN 81 -2.114 4.190 -10.589 378 2HE2 GLN 81 2HE2 GLN 81 -0.918 5.467 -10.471 379 H PHE 82 H PHE 82 -1.627 0.426 -6.112 380 HA PHE 82 HA PHE 82 -4.457 0.733 -6.920 381 1HB PHE 82 2HB PHE 82 -5.122 -0.982 -5.289 382 2HB PHE 82 3HB PHE 82 -4.273 -1.654 -6.662 383 HD1 PHE 82 1HD PHE 82 -2.350 -3.021 -6.390 384 HD2 PHE 82 2HD PHE 82 -3.826 -0.713 -3.051 385 HE1 PHE 82 1HE PHE 82 -0.985 -4.377 -4.837 386 HE2 PHE 82 2HE PHE 82 -2.483 -2.100 -1.506 387 HZ PHE 82 HZ PHE 82 -1.114 -3.976 -2.383 388 H ALA 83 H ALA 83 -5.738 1.641 -5.276 389 HA ALA 83 HA ALA 83 -4.191 2.908 -3.077 390 1HB ALA 83 1HB ALA 83 -5.305 4.479 -4.752 391 2HB ALA 83 2HB ALA 83 -6.847 3.881 -4.106 392 3HB ALA 83 3HB ALA 83 -5.691 4.701 -3.040 393 H VAL 84 H VAL 84 -5.085 2.949 -1.056 394 HA VAL 84 HA VAL 84 -7.194 0.936 -0.439 395 HB VAL 84 HB VAL 84 -5.004 -0.224 -0.647 396 1HG1 VAL 84 1HG1 VAL 84 -4.087 1.476 1.683 397 2HG1 VAL 84 2HG1 VAL 84 -3.190 0.158 0.918 398 3HG1 VAL 84 3HG1 VAL 84 -3.517 1.649 0.020 399 1HG2 VAL 84 1HG2 VAL 84 -6.550 -1.253 0.821 400 2HG2 VAL 84 2HG2 VAL 84 -4.963 -1.344 1.575 401 3HG2 VAL 84 3HG2 VAL 84 -6.142 -0.160 2.169 402 H HIS 85 H HID 85 -8.147 1.230 1.690 403 HA HIS 85 HA HID 85 -7.302 3.553 3.250 404 1HB HIS 85 2HB HID 85 -9.174 4.928 2.922 405 2HB HIS 85 3HB HID 85 -8.535 4.527 1.354 406 HD1 HIS 85 1HD HID 85 -11.522 5.563 1.996 407 HD2 HIS 85 2HD HID 85 -10.228 1.684 1.003 408 HE1 HIS 85 1HE HID 85 -13.522 4.360 0.982 409 H ASP 86 H ASP 86 -9.183 4.084 4.900 410 HA ASP 86 HA ASP 86 -10.445 1.576 5.841 411 1HB ASP 86 2HB ASP 86 -8.177 2.848 7.023 412 2HB ASP 86 3HB ASP 86 -9.544 3.270 8.036 413 H SER 87 H SER 87 -11.161 4.322 4.464 414 HA SER 87 HA SER 87 -12.585 6.087 4.698 415 1HB SER 87 2HB SER 87 -14.287 3.839 5.834 416 2HB SER 87 3HB SER 87 -14.898 5.370 5.174 417 HG SER 87 HG SER 87 -14.800 3.566 3.638 418 H LEU 88 H LEU 88 -10.766 6.018 6.815 419 HA LEU 88 HA LEU 88 -12.339 7.254 9.027 420 1HB LEU 88 2HB LEU 88 -9.967 5.404 9.042 421 2HB LEU 88 3HB LEU 88 -10.066 6.634 10.300 422 HG LEU 88 HG LEU 88 -12.583 5.080 9.863 423 1HD1 LEU 88 1HD1 LEU 88 -11.750 3.212 11.303 424 2HD1 LEU 88 2HD1 LEU 88 -11.053 3.226 9.686 425 3HD1 LEU 88 3HD1 LEU 88 -10.091 3.805 11.064 426 1HD2 LEU 88 1HD2 LEU 88 -12.653 5.238 12.313 427 2HD2 LEU 88 2HD2 LEU 88 -10.989 5.845 12.357 428 3HD2 LEU 88 3HD2 LEU 88 -12.278 6.837 11.642 429 H GLY 89 H GLY 89 -8.894 7.277 8.346 430 1HA GLY 89 1HA GLY 89 -8.798 10.180 8.644 431 2HA GLY 89 2HA GLY 89 -7.434 9.076 8.498 432 H GLY 90 H GLY 90 -8.403 7.857 5.913 433 1HA GLY 90 1HA GLY 90 -8.895 9.596 3.860 434 2HA GLY 90 2HA GLY 90 -7.159 9.782 4.171 435 H GLU 91 H GLU 91 -7.070 8.904 1.909 436 HA GLU 91 HA GLU 91 -7.009 5.943 1.789 437 1HB GLU 91 2HB GLU 91 -8.767 7.163 0.249 438 2HB GLU 91 3HB GLU 91 -7.367 7.865 -0.561 439 1HG GLU 91 2HG GLU 91 -6.645 5.302 -0.847 440 2HG GLU 91 3HG GLU 91 -8.368 5.006 -0.590 441 H ILE 92 H ILE 92 -5.075 5.101 0.825 442 HA ILE 92 HA ILE 92 -2.989 7.090 0.117 443 HB ILE 92 HB ILE 92 -2.688 6.208 2.494 444 1HG1 ILE 92 2HG1 ILE 92 -0.321 5.825 2.367 445 2HG1 ILE 92 3HG1 ILE 92 -0.376 5.467 0.647 446 1HG2 ILE 92 1HG2 ILE 92 -1.913 3.597 1.137 447 2HG2 ILE 92 2HG2 ILE 92 -1.974 3.961 2.867 448 3HG2 ILE 92 3HG2 ILE 92 -3.470 3.875 1.939 449 1HD1 ILE 92 1HD1 ILE 92 0.437 7.788 1.317 450 2HD1 ILE 92 2HD1 ILE 92 -0.864 7.789 0.121 451 3HD1 ILE 92 3HD1 ILE 92 -1.221 8.154 1.824 452 H LEU 93 H LEU 93 -1.249 6.095 -1.212 453 HA LEU 93 HA LEU 93 -2.433 4.081 -3.045 454 1HB LEU 93 2HB LEU 93 -0.907 6.632 -3.437 455 2HB LEU 93 3HB LEU 93 -0.482 5.306 -4.522 456 HG LEU 93 HG LEU 93 -3.374 6.123 -4.177 457 1HD1 LEU 93 1HD1 LEU 93 -1.360 7.235 -6.185 458 2HD1 LEU 93 2HD1 LEU 93 -3.110 7.529 -6.189 459 3HD1 LEU 93 3HD1 LEU 93 -2.118 8.144 -4.856 460 1HD2 LEU 93 1HD2 LEU 93 -3.539 5.097 -6.440 461 2HD2 LEU 93 2HD2 LEU 93 -1.794 4.784 -6.444 462 3HD2 LEU 93 3HD2 LEU 93 -2.844 3.941 -5.297 463 H VAL 94 H VAL 94 -1.289 2.336 -3.641 464 HA VAL 94 HA VAL 94 1.434 1.899 -2.517 465 HB VAL 94 HB VAL 94 -0.815 -0.113 -2.887 466 1HG1 VAL 94 1HG1 VAL 94 0.595 -1.554 -1.468 467 2HG1 VAL 94 2HG1 VAL 94 1.468 -1.064 -2.929 468 3HG1 VAL 94 3HG1 VAL 94 1.825 -0.274 -1.375 469 1HG2 VAL 94 1HG2 VAL 94 0.046 1.325 -0.345 470 2HG2 VAL 94 2HG2 VAL 94 -1.543 1.405 -1.135 471 3HG2 VAL 94 3HG2 VAL 94 -1.010 -0.106 -0.397 472 H THR 95 H THR 95 2.913 1.468 -4.147 473 HA THR 95 HA THR 95 1.875 0.721 -6.845 474 HB THR 95 HB THR 95 4.136 1.468 -7.586 475 HG1 THR 95 1HG THR 95 5.043 1.218 -5.434 476 1HG2 THR 95 1HG2 THR 95 3.709 3.882 -7.322 477 2HG2 THR 95 2HG2 THR 95 2.193 3.033 -7.668 478 3HG2 THR 95 3HG2 THR 95 2.556 3.559 -6.011 479 H TYR 96 H TYR 96 2.440 -1.198 -7.736 480 HA TYR 96 HA TYR 96 4.185 -3.078 -6.268 481 1HB TYR 96 2HB TYR 96 1.547 -3.213 -6.033 482 2HB TYR 96 3HB TYR 96 1.584 -3.847 -7.661 483 HD1 TYR 96 HD1 TYR 96 1.751 -4.611 -4.197 484 HD2 TYR 96 HD2 TYR 96 2.984 -6.028 -8.067 485 HE1 TYR 96 HE1 TYR 96 2.443 -6.766 -3.223 486 HE2 TYR 96 HE2 TYR 96 3.515 -8.243 -7.091 487 HH TYR 96 HH TYR 96 4.065 -9.091 -4.502 488 H ASP 97 H ASP 97 4.887 -4.929 -7.834 489 HA ASP 97 HA ASP 97 5.028 -4.359 -10.597 490 1HB ASP 97 2HB ASP 97 7.583 -4.282 -10.346 491 2HB ASP 97 3HB ASP 97 6.719 -2.794 -9.945 492 H ASP 98 H ASP 98 6.254 -5.997 -11.443 493 HA ASP 98 HA ASP 98 6.255 -8.132 -12.193 494 1HB ASP 98 2HB ASP 98 7.368 -8.528 -9.400 495 2HB ASP 98 3HB ASP 98 7.113 -9.865 -10.520 496 H LEU 99 H LEU 99 3.904 -7.677 -12.365 497 HA LEU 99 HA LEU 99 1.738 -8.241 -12.152 498 1HB LEU 99 2HB LEU 99 3.284 -10.838 -12.123 499 2HB LEU 99 3HB LEU 99 1.583 -10.949 -11.835 500 HG LEU 99 HG LEU 99 1.827 -9.204 -14.079 501 1HD1 LEU 99 1HD1 LEU 99 3.418 -11.773 -14.402 502 2HD1 LEU 99 2HD1 LEU 99 2.979 -10.626 -15.686 503 3HD1 LEU 99 3HD1 LEU 99 4.094 -10.127 -14.399 504 1HD2 LEU 99 1HD2 LEU 99 -0.079 -10.668 -13.562 505 2HD2 LEU 99 2HD2 LEU 99 0.549 -10.944 -15.197 506 3HD2 LEU 99 3HD2 LEU 99 0.924 -12.095 -13.898 507 H LEU 100 H LEU 100 0.448 -10.263 -10.431 508 HA LEU 100 HA LEU 100 1.080 -9.485 -7.701 509 1HB LEU 100 2HB LEU 100 -1.413 -8.750 -9.288 510 2HB LEU 100 3HB LEU 100 -1.621 -9.191 -7.600 511 HG LEU 100 HG LEU 100 0.423 -7.071 -8.310 512 1HD1 LEU 100 1HD1 LEU 100 -1.340 -5.358 -8.018 513 2HD1 LEU 100 2HD1 LEU 100 -1.582 -6.343 -9.478 514 3HD1 LEU 100 3HD1 LEU 100 -2.553 -6.648 -8.039 515 1HD2 LEU 100 1HD2 LEU 100 -0.215 -6.262 -6.064 516 2HD2 LEU 100 2HD2 LEU 100 -1.392 -7.577 -5.915 517 3HD2 LEU 100 3HD2 LEU 100 0.337 -7.945 -6.014 518 HA PRO 101 HA PRO 101 -0.104 -13.803 -7.567 519 1HB PRO 101 2HB PRO 101 -1.103 -14.184 -5.034 520 2HB PRO 101 3HB PRO 101 0.607 -13.841 -5.380 521 1HG PRO 101 2HG PRO 101 -1.503 -11.844 -4.522 522 2HG PRO 101 3HG PRO 101 0.133 -12.067 -3.863 523 1HD PRO 101 2HD PRO 101 -0.443 -10.166 -5.737 524 2HD PRO 101 3HD PRO 101 1.128 -11.019 -5.741 525 H ASP 102 H ASP 102 -2.844 -13.028 -5.438 526 HA ASP 102 HA ASP 102 -4.763 -13.992 -7.287 527 1HB ASP 102 2HB ASP 102 -5.195 -12.339 -4.756 528 2HB ASP 102 3HB ASP 102 -6.308 -13.506 -5.486 529 H LEU 103 H LEU 103 -3.563 -12.063 -8.737 530 HA LEU 103 HA LEU 103 -3.439 -10.092 -9.700 531 1HB LEU 103 2HB LEU 103 -5.174 -9.569 -11.093 532 2HB LEU 103 3HB LEU 103 -5.357 -11.284 -10.770 533 HG LEU 103 HG LEU 103 -6.959 -9.860 -8.820 534 1HD1 LEU 103 1HD1 LEU 103 -8.478 -8.595 -10.250 535 2HD1 LEU 103 2HD1 LEU 103 -6.851 -7.909 -10.340 536 3HD1 LEU 103 3HD1 LEU 103 -7.460 -8.919 -11.669 537 1HD2 LEU 103 1HD2 LEU 103 -8.816 -11.022 -9.947 538 2HD2 LEU 103 2HD2 LEU 103 -7.745 -11.441 -11.298 539 3HD2 LEU 103 3HD2 LEU 103 -7.438 -12.107 -9.677 540 H PHE 104 H PHE 104 -4.594 -9.822 -6.645 541 HA PHE 104 HA PHE 104 -5.283 -8.280 -5.214 542 1HB PHE 104 2HB PHE 104 -3.508 -6.750 -5.924 543 2HB PHE 104 3HB PHE 104 -4.539 -6.158 -7.227 544 HD1 PHE 104 1HD PHE 104 -6.375 -4.665 -6.838 545 HD2 PHE 104 2HD PHE 104 -3.995 -6.128 -3.562 546 HE1 PHE 104 1HE PHE 104 -6.956 -2.654 -5.519 547 HE2 PHE 104 2HE PHE 104 -4.694 -4.157 -2.202 548 HZ PHE 104 HZ PHE 104 -6.036 -2.364 -3.228 549 H ARG 105 H ARG 105 -7.289 -9.286 -5.449 550 HA ARG 105 HA ARG 105 -9.257 -8.264 -7.388 551 1HB ARG 105 2HB ARG 105 -9.452 -10.074 -4.969 552 2HB ARG 105 3HB ARG 105 -10.835 -9.671 -5.988 553 1HG ARG 105 2HG ARG 105 -9.961 -10.916 -7.812 554 2HG ARG 105 3HG ARG 105 -8.331 -10.917 -7.141 555 1HD ARG 105 2HD ARG 105 -9.151 -13.099 -6.801 556 2HD ARG 105 3HD ARG 105 -9.115 -12.353 -5.219 557 HE ARG 105 HE ARG 105 -11.465 -12.964 -6.954 558 1HH1 ARG 105 2HH2 ARG 105 -10.431 -11.879 -3.642 559 2HH1 ARG 105 1HH2 ARG 105 -11.949 -12.275 -2.968 560 1HH2 ARG 105 1HH1 ARG 105 -13.454 -13.390 -5.976 561 2HH2 ARG 105 2HH1 ARG 105 -13.712 -13.049 -4.296 562 H GLU 106 H GLU 106 -11.111 -7.094 -6.735 563 HA GLU 106 HA GLU 106 -10.440 -4.951 -4.931 564 1HB GLU 106 2HB GLU 106 -12.928 -5.288 -6.650 565 2HB GLU 106 3HB GLU 106 -12.192 -3.812 -6.030 566 1HG GLU 106 2HG GLU 106 -11.396 -3.724 -8.168 567 2HG GLU 106 3HG GLU 106 -10.077 -4.669 -7.476 568 H GLY 107 H GLY 107 -11.919 -4.046 -3.366 569 1HA GLY 107 1HA GLY 107 -13.206 -4.137 -1.484 570 2HA GLY 107 2HA GLY 107 -14.362 -4.996 -2.513 571 H GLN 108 H GLN 108 -11.148 -5.926 -1.188 572 HA GLN 108 HA GLN 108 -12.209 -7.927 0.635 573 1HB GLN 108 2HB GLN 108 -10.881 -9.755 -0.461 574 2HB GLN 108 3HB GLN 108 -12.344 -9.279 -1.320 575 1HG GLN 108 2HG GLN 108 -11.211 -8.877 -3.190 576 2HG GLN 108 3HG GLN 108 -10.199 -7.683 -2.394 577 1HE2 GLN 108 1HE2 GLN 108 -8.134 -8.110 -2.980 578 2HE2 GLN 108 2HE2 GLN 108 -7.364 -9.700 -2.841 579 H GLY 109 H GLY 109 -11.029 -7.034 2.323 580 1HA GLY 109 1HA GLY 109 -8.760 -5.458 1.858 581 2HA GLY 109 2HA GLY 109 -9.261 -6.061 3.455 582 H ILE 110 H ILE 110 -6.606 -5.704 2.093 583 HA ILE 110 HA ILE 110 -5.467 -8.386 2.620 584 HB ILE 110 HB ILE 110 -4.039 -8.295 0.645 585 1HG1 ILE 110 2HG1 ILE 110 -5.425 -6.533 -1.125 586 2HG1 ILE 110 3HG1 ILE 110 -5.065 -5.591 0.325 587 1HG2 ILE 110 1HG2 ILE 110 -6.257 -9.517 0.620 588 2HG2 ILE 110 2HG2 ILE 110 -6.896 -8.161 -0.315 589 3HG2 ILE 110 3HG2 ILE 110 -5.552 -9.114 -0.957 590 1HD1 ILE 110 1HD1 ILE 110 -3.097 -7.224 -1.321 591 2HD1 ILE 110 2HD1 ILE 110 -3.187 -5.452 -1.226 592 3HD1 ILE 110 3HD1 ILE 110 -2.690 -6.376 0.195 593 H VAL 111 H VAL 111 -2.931 -8.113 2.535 594 HA VAL 111 HA VAL 111 -2.219 -5.455 3.703 595 HB VAL 111 HB VAL 111 -0.757 -6.557 5.240 596 1HG1 VAL 111 1HG1 VAL 111 -2.390 -7.409 6.826 597 2HG1 VAL 111 2HG1 VAL 111 -3.095 -6.044 5.941 598 3HG1 VAL 111 3HG1 VAL 111 -3.564 -7.698 5.521 599 1HG2 VAL 111 1HG2 VAL 111 -2.002 -9.223 4.442 600 2HG2 VAL 111 2HG2 VAL 111 -0.373 -8.692 3.970 601 3HG2 VAL 111 3HG2 VAL 111 -0.761 -8.954 5.676 602 H ALA 112 H ALA 112 -0.186 -4.679 3.141 603 HA ALA 112 HA ALA 112 1.263 -6.108 0.965 604 1HB ALA 112 1HB ALA 112 -0.421 -4.464 0.066 605 2HB ALA 112 2HB ALA 112 0.448 -3.184 0.923 606 3HB ALA 112 3HB ALA 112 1.264 -4.102 -0.360 607 H GLN 113 H GLN 113 3.417 -6.122 1.307 608 HA GLN 113 HA GLN 113 4.590 -4.278 3.347 609 1HB GLN 113 2HB GLN 113 4.578 -6.612 4.058 610 2HB GLN 113 3HB GLN 113 5.212 -7.114 2.509 611 1HG GLN 113 2HG GLN 113 7.310 -5.586 3.178 612 2HG GLN 113 3HG GLN 113 6.688 -5.784 4.801 613 1HE2 GLN 113 1HE2 GLN 113 7.299 -7.662 1.850 614 2HE2 GLN 113 2HE2 GLN 113 8.038 -9.040 2.554 615 H GLY 114 H GLY 114 6.392 -3.090 2.815 616 1HA GLY 114 1HA GLY 114 8.397 -3.946 1.201 617 2HA GLY 114 2HA GLY 114 7.445 -2.986 0.087 618 H VAL 115 H VAL 115 8.416 -0.993 -0.098 619 HA VAL 115 HA VAL 115 9.629 0.211 2.324 620 HB VAL 115 HB VAL 115 11.363 -1.054 1.170 621 1HG1 VAL 115 1HG1 VAL 115 10.434 -1.050 -1.139 622 2HG1 VAL 115 2HG1 VAL 115 10.786 0.689 -1.267 623 3HG1 VAL 115 3HG1 VAL 115 12.108 -0.480 -1.100 624 1HG2 VAL 115 1HG2 VAL 115 13.035 0.658 0.866 625 2HG2 VAL 115 2HG2 VAL 115 11.802 1.920 0.761 626 3HG2 VAL 115 3HG2 VAL 115 12.036 1.016 2.275 627 H LEU 116 H LEU 116 9.834 2.377 2.337 628 HA LEU 116 HA LEU 116 7.822 3.867 0.993 629 1HB LEU 116 2HB LEU 116 10.353 4.480 2.546 630 2HB LEU 116 3HB LEU 116 9.719 5.779 1.539 631 HG LEU 116 HG LEU 116 8.844 5.876 3.860 632 1HD1 LEU 116 1HD1 LEU 116 7.410 6.031 1.350 633 2HD1 LEU 116 2HD1 LEU 116 6.312 5.476 2.610 634 3HD1 LEU 116 3HD1 LEU 116 7.258 6.982 2.816 635 1HD2 LEU 116 1HD2 LEU 116 7.142 4.339 4.644 636 2HD2 LEU 116 2HD2 LEU 116 7.417 3.268 3.261 637 3HD2 LEU 116 3HD2 LEU 116 8.706 3.537 4.451 638 H GLY 117 H GLY 117 7.667 4.997 -0.952 639 1HA GLY 117 1HA GLY 117 9.794 4.376 -2.941 640 2HA GLY 117 2HA GLY 117 8.131 4.894 -3.239 641 H GLU 118 H GLU 118 7.942 6.964 -3.864 642 HA GLU 118 HA GLU 118 10.042 8.830 -3.968 643 1HB GLU 118 2HB GLU 118 8.194 10.415 -4.602 644 2HB GLU 118 3HB GLU 118 8.173 8.895 -5.491 645 1HG GLU 118 2HG GLU 118 6.352 8.127 -3.846 646 2HG GLU 118 3HG GLU 118 6.330 9.803 -3.255 647 H ASP 119 H ASP 119 7.253 8.789 -1.828 648 HA ASP 119 HA ASP 119 8.475 9.376 0.591 649 1HB ASP 119 2HB ASP 119 7.611 11.737 0.961 650 2HB ASP 119 3HB ASP 119 9.090 11.557 0.028 651 H GLY 120 H GLY 120 5.559 10.627 -1.041 652 1HA GLY 120 1HA GLY 120 3.823 9.619 1.026 653 2HA GLY 120 2HA GLY 120 3.312 10.322 -0.521 654 H LYS 121 H LYS 121 4.723 8.455 -2.236 655 HA LYS 121 HA LYS 121 2.750 6.346 -2.176 656 1HB LYS 121 2HB LYS 121 4.171 7.740 -4.113 657 2HB LYS 121 3HB LYS 121 4.918 6.167 -4.209 658 1HG LYS 121 2HG LYS 121 3.086 5.971 -5.697 659 2HG LYS 121 3HG LYS 121 2.302 5.410 -4.215 660 1HD LYS 121 2HD LYS 121 0.825 7.087 -5.053 661 2HD LYS 121 3HD LYS 121 1.736 7.932 -3.797 662 1HE LYS 121 2HE LYS 121 3.281 8.254 -6.182 663 2HE LYS 121 3HE LYS 121 1.618 8.318 -6.733 664 1HZ LYS 121 1HZ LYS 121 1.325 10.110 -4.984 665 2HZ LYS 121 2HZ LYS 121 2.987 10.040 -4.814 666 3HZ LYS 121 3HZ LYS 121 2.372 10.466 -6.222 667 H LEU 122 H LEU 122 3.024 4.159 -1.851 668 HA LEU 122 HA LEU 122 5.509 3.345 -0.410 669 1HB LEU 122 2HB LEU 122 2.603 2.425 -0.398 670 2HB LEU 122 3HB LEU 122 3.892 1.439 0.282 671 HG LEU 122 HG LEU 122 2.616 2.736 1.949 672 1HD1 LEU 122 1HD1 LEU 122 5.590 3.384 1.758 673 2HD1 LEU 122 2HD1 LEU 122 4.604 3.534 3.208 674 3HD1 LEU 122 3HD1 LEU 122 4.867 1.936 2.480 675 1HD2 LEU 122 1HD2 LEU 122 2.853 5.085 2.258 676 2HD2 LEU 122 2HD2 LEU 122 4.022 5.225 0.943 677 3HD2 LEU 122 3HD2 LEU 122 2.317 4.831 0.591 678 H ALA 123 H ALA 123 6.876 1.900 -1.400 679 HA ALA 123 HA ALA 123 5.924 0.591 -3.897 680 1HB ALA 123 1HB ALA 123 8.300 0.096 -4.255 681 2HB ALA 123 2HB ALA 123 8.023 1.839 -4.065 682 3HB ALA 123 3HB ALA 123 8.717 0.900 -2.727 683 H ALA 124 H ALA 124 4.731 -1.161 -3.280 684 HA ALA 124 HA ALA 124 5.928 -3.056 -1.290 685 1HB ALA 124 1HB ALA 124 2.993 -2.462 -1.712 686 2HB ALA 124 2HB ALA 124 3.687 -3.629 -0.578 687 3HB ALA 124 3HB ALA 124 3.960 -1.892 -0.331 688 H THR 125 H THR 125 6.560 -4.861 -2.318 689 HA THR 125 HA THR 125 4.934 -5.811 -4.635 690 HB THR 125 HB THR 125 7.050 -4.976 -5.435 691 HG1 THR 125 1HG THR 125 6.342 -6.687 -6.643 692 1HG2 THR 125 1HG2 THR 125 9.145 -6.109 -4.847 693 2HG2 THR 125 2HG2 THR 125 8.453 -5.312 -3.426 694 3HG2 THR 125 3HG2 THR 125 8.312 -7.078 -3.615 695 H GLU 126 H GLU 126 5.205 -6.377 -1.449 696 HA GLU 126 HA GLU 126 4.757 -9.337 -1.827 697 1HB GLU 126 2HB GLU 126 5.823 -7.782 0.529 698 2HB GLU 126 3HB GLU 126 5.282 -9.465 0.603 699 1HG GLU 126 2HG GLU 126 7.113 -9.535 -1.484 700 2HG GLU 126 3HG GLU 126 7.847 -8.357 -0.393 701 H VAL 127 H VAL 127 2.487 -8.964 -2.359 702 HA VAL 127 HA VAL 127 0.892 -7.909 -0.071 703 HB VAL 127 HB VAL 127 -1.078 -8.352 -1.421 704 1HG1 VAL 127 1HG1 VAL 127 0.865 -6.178 -1.977 705 2HG1 VAL 127 2HG1 VAL 127 -0.551 -6.336 -3.052 706 3HG1 VAL 127 3HG1 VAL 127 -0.747 -6.170 -1.302 707 1HG2 VAL 127 1HG2 VAL 127 -1.014 -8.566 -3.803 708 2HG2 VAL 127 2HG2 VAL 127 0.753 -8.701 -3.785 709 3HG2 VAL 127 3HG2 VAL 127 -0.245 -9.949 -3.030 710 H LEU 128 H LEU 128 -0.271 -9.161 1.233 711 HA LEU 128 HA LEU 128 -0.288 -12.106 0.723 712 1HB LEU 128 2HB LEU 128 -0.331 -10.928 3.506 713 2HB LEU 128 3HB LEU 128 -0.120 -12.583 2.984 714 HG LEU 128 HG LEU 128 1.931 -11.996 3.781 715 1HD1 LEU 128 1HD1 LEU 128 2.549 -11.306 0.913 716 2HD1 LEU 128 2HD1 LEU 128 3.495 -12.215 2.080 717 3HD1 LEU 128 3HD1 LEU 128 2.029 -12.940 1.394 718 1HD2 LEU 128 1HD2 LEU 128 1.695 -9.636 4.121 719 2HD2 LEU 128 2HD2 LEU 128 3.217 -9.959 3.284 720 3HD2 LEU 128 3HD2 LEU 128 1.848 -9.295 2.385 721 H ALA 129 H ALA 129 -2.345 -12.726 0.331 722 HA ALA 129 HA ALA 129 -4.636 -11.043 1.120 723 1HB ALA 129 1HB ALA 129 -5.943 -12.741 -0.109 724 2HB ALA 129 2HB ALA 129 -4.643 -12.070 -1.112 725 3HB ALA 129 3HB ALA 129 -4.468 -13.684 -0.394 726 H LYS 130 H LYS 130 -5.550 -11.334 3.109 727 HA LYS 130 HA LYS 130 -5.382 -14.024 4.402 728 1HB LYS 130 2HB LYS 130 -4.777 -13.109 6.485 729 2HB LYS 130 3HB LYS 130 -3.605 -12.520 5.304 730 1HG LYS 130 2HG LYS 130 -4.761 -10.311 5.251 731 2HG LYS 130 3HG LYS 130 -5.968 -10.920 6.396 732 1HD LYS 130 2HD LYS 130 -3.977 -11.471 7.955 733 2HD LYS 130 3HD LYS 130 -3.030 -10.404 6.897 734 1HE LYS 130 2HE LYS 130 -4.763 -8.584 7.324 735 2HE LYS 130 3HE LYS 130 -5.606 -9.690 8.414 736 1HZ LYS 130 1HZ LYS 130 -3.662 -9.727 9.808 737 2HZ LYS 130 2HZ LYS 130 -2.863 -8.693 8.804 738 3HZ LYS 130 3HZ LYS 130 -4.205 -8.190 9.608 739 H HIS 131 H HID 131 -7.563 -12.658 2.868 740 HA HIS 131 HA HID 131 -9.698 -12.882 4.851 741 1HB HIS 131 2HB HID 131 -8.539 -10.309 4.221 742 2HB HIS 131 3HB HID 131 -10.168 -10.324 3.582 743 HD1 HIS 131 1HD HID 131 -11.895 -11.651 5.872 744 HD2 HIS 131 2HD HID 131 -8.660 -8.962 6.377 745 HE1 HIS 131 1HE HID 131 -12.245 -10.500 8.061 746 H ASP 132 H ASP 132 -10.128 -14.657 3.483 747 HA ASP 132 HA ASP 132 -11.499 -13.935 0.920 748 1HB ASP 132 2HB ASP 132 -9.660 -16.264 1.553 749 2HB ASP 132 3HB ASP 132 -10.873 -16.321 0.266 Start of MODEL 22 1 H SER 32 H SER 32 17.331 -3.389 14.524 2 HA SER 32 HA SER 32 17.859 -5.994 13.986 3 1HB SER 32 2HB SER 32 15.222 -5.098 15.209 4 2HB SER 32 3HB SER 32 16.214 -6.498 15.633 5 HG SER 32 HG SER 32 17.830 -4.959 16.336 6 H ASN 33 H ASN 33 14.895 -4.257 12.925 7 HA ASN 33 HA ASN 33 14.496 -6.124 10.718 8 1HB ASN 33 2HB ASN 33 12.243 -5.942 12.757 9 2HB ASN 33 3HB ASN 33 12.373 -6.973 11.326 10 1HD2 ASN 33 1HD2 ASN 33 13.393 -8.997 11.472 11 2HD2 ASN 33 2HD2 ASN 33 13.989 -9.600 13.007 12 H LEU 34 H LEU 34 12.762 -3.704 12.722 13 HA LEU 34 HA LEU 34 11.689 -1.785 12.241 14 1HB LEU 34 2HB LEU 34 14.187 -1.472 11.578 15 2HB LEU 34 3HB LEU 34 13.604 -1.366 9.924 16 HG LEU 34 HG LEU 34 12.769 0.394 12.286 17 1HD1 LEU 34 1HD1 LEU 34 15.101 0.746 11.604 18 2HD1 LEU 34 2HD1 LEU 34 14.594 0.975 9.916 19 3HD1 LEU 34 3HD1 LEU 34 14.107 2.142 11.163 20 1HD2 LEU 34 1HD2 LEU 34 12.086 0.691 9.325 21 2HD2 LEU 34 2HD2 LEU 34 10.938 0.361 10.647 22 3HD2 LEU 34 3HD2 LEU 34 11.781 1.909 10.577 23 H ASN 35 H ASN 35 10.065 -3.662 11.405 24 HA ASN 35 HA ASN 35 8.847 -2.666 8.913 25 1HB ASN 35 2HB ASN 35 8.929 -4.863 7.849 26 2HB ASN 35 3HB ASN 35 10.556 -4.218 8.113 27 1HD2 ASN 35 1HD2 ASN 35 9.930 -7.020 7.636 28 2HD2 ASN 35 2HD2 ASN 35 10.429 -7.862 9.088 29 H LEU 36 H LEU 36 6.762 -2.269 9.779 30 HA LEU 36 HA LEU 36 5.382 -4.596 10.989 31 1HB LEU 36 2HB LEU 36 4.583 -3.353 12.840 32 2HB LEU 36 3HB LEU 36 6.340 -3.357 12.884 33 HG LEU 36 HG LEU 36 4.831 -0.991 11.680 34 1HD1 LEU 36 1HD1 LEU 36 5.402 -1.479 14.625 35 2HD1 LEU 36 2HD1 LEU 36 4.836 0.050 13.920 36 3HD1 LEU 36 3HD1 LEU 36 3.802 -1.384 13.854 37 1HD2 LEU 36 1HD2 LEU 36 7.294 -0.976 11.383 38 2HD2 LEU 36 2HD2 LEU 36 6.808 0.258 12.542 39 3HD2 LEU 36 3HD2 LEU 36 7.512 -1.261 13.122 40 H PHE 37 H PHE 37 3.074 -4.234 11.319 41 HA PHE 37 HA PHE 37 1.917 -3.211 8.835 42 1HB PHE 37 2HB PHE 37 0.679 -4.668 11.185 43 2HB PHE 37 3HB PHE 37 -0.157 -4.224 9.710 44 HD1 PHE 37 1HD PHE 37 0.863 -5.095 7.436 45 HD2 PHE 37 2HD PHE 37 1.447 -6.927 11.295 46 HE1 PHE 37 1HE PHE 37 1.610 -7.199 6.336 47 HE2 PHE 37 2HE PHE 37 1.917 -9.091 10.184 48 HZ PHE 37 HZ PHE 37 2.090 -9.206 7.694 49 H TYR 38 H TYR 38 0.948 -1.367 8.564 50 HA TYR 38 HA TYR 38 -0.119 0.182 10.848 51 1HB TYR 38 2HB TYR 38 1.888 0.946 8.715 52 2HB TYR 38 3HB TYR 38 0.662 2.133 9.132 53 HD1 TYR 38 HD1 TYR 38 0.209 2.497 11.703 54 HD2 TYR 38 HD2 TYR 38 3.913 1.074 10.010 55 HE1 TYR 38 HE1 TYR 38 1.408 3.250 13.717 56 HE2 TYR 38 HE2 TYR 38 5.135 1.953 11.985 57 HH TYR 38 HH TYR 38 3.451 3.541 14.708 58 H THR 39 H THR 39 -1.786 1.690 10.200 59 HA THR 39 HA THR 39 -3.493 0.564 8.099 60 HB THR 39 HB THR 39 -5.161 2.084 9.306 61 HG1 THR 39 1HG THR 39 -4.302 2.742 11.433 62 1HG2 THR 39 1HG2 THR 39 -5.340 0.643 11.292 63 2HG2 THR 39 2HG2 THR 39 -4.926 -0.337 9.872 64 3HG2 THR 39 3HG2 THR 39 -3.679 0.068 11.069 65 HA PRO 40 HA PRO 40 -2.629 4.011 5.393 66 1HB PRO 40 2HB PRO 40 -5.193 4.561 4.393 67 2HB PRO 40 3HB PRO 40 -3.999 3.404 3.763 68 1HG PRO 40 2HG PRO 40 -6.319 2.829 5.574 69 2HG PRO 40 3HG PRO 40 -5.698 1.854 4.229 70 1HD PRO 40 2HD PRO 40 -5.191 1.262 6.817 71 2HD PRO 40 3HD PRO 40 -3.935 1.020 5.564 72 H SER 41 H SER 41 -5.227 4.299 7.799 73 HA SER 41 HA SER 41 -5.559 7.047 8.023 74 1HB SER 41 2HB SER 41 -6.412 4.939 9.528 75 2HB SER 41 3HB SER 41 -5.123 5.516 10.579 76 HG SER 41 HG SER 41 -7.462 6.832 9.688 77 H GLU 42 H GLU 42 -2.780 5.065 9.173 78 HA GLU 42 HA GLU 42 -1.621 7.303 10.619 79 1HB GLU 42 2HB GLU 42 -1.481 4.668 11.055 80 2HB GLU 42 3HB GLU 42 -0.106 4.786 9.945 81 1HG GLU 42 2HG GLU 42 0.778 5.050 12.151 82 2HG GLU 42 3HG GLU 42 0.753 6.683 11.501 83 H ILE 43 H ILE 43 -1.773 6.551 7.335 84 HA ILE 43 HA ILE 43 0.556 8.258 6.743 85 HB ILE 43 HB ILE 43 0.950 6.887 4.681 86 1HG1 ILE 43 2HG1 ILE 43 -0.685 4.823 6.220 87 2HG1 ILE 43 3HG1 ILE 43 -1.083 5.548 4.644 88 1HG2 ILE 43 1HG2 ILE 43 1.528 5.483 7.320 89 2HG2 ILE 43 2HG2 ILE 43 2.505 5.446 5.835 90 3HG2 ILE 43 3HG2 ILE 43 2.377 6.936 6.763 91 1HD1 ILE 43 1HD1 ILE 43 1.230 3.665 5.299 92 2HD1 ILE 43 2HD1 ILE 43 -0.191 3.315 4.322 93 3HD1 ILE 43 3HD1 ILE 43 1.016 4.476 3.729 94 H VAL 44 H VAL 44 -1.975 9.140 7.279 95 HA VAL 44 HA VAL 44 -2.184 10.533 4.691 96 HB VAL 44 HB VAL 44 -4.181 9.046 5.007 97 1HG1 VAL 44 1HG1 VAL 44 -6.024 9.781 6.381 98 2HG1 VAL 44 2HG1 VAL 44 -4.624 9.591 7.441 99 3HG1 VAL 44 3HG1 VAL 44 -5.149 11.208 6.896 100 1HG2 VAL 44 1HG2 VAL 44 -5.728 10.727 4.104 101 2HG2 VAL 44 2HG2 VAL 44 -4.631 12.027 4.615 102 3HG2 VAL 44 3HG2 VAL 44 -4.119 10.858 3.376 103 H ASN 45 H ASN 45 -3.157 10.911 8.147 104 HA ASN 45 HA ASN 45 -3.240 13.779 7.765 105 1HB ASN 45 2HB ASN 45 -3.587 12.119 10.285 106 2HB ASN 45 3HB ASN 45 -3.912 13.851 10.140 107 1HD2 ASN 45 1HD2 ASN 45 -5.407 10.832 10.036 108 2HD2 ASN 45 2HD2 ASN 45 -6.843 11.337 9.169 109 H GLY 46 H GLY 46 -0.828 13.895 7.183 110 1HA GLY 46 1HA GLY 46 1.153 15.032 7.846 111 2HA GLY 46 2HA GLY 46 0.476 15.215 9.473 112 H LYS 47 H LYS 47 1.880 12.819 7.264 113 HA LYS 47 HA LYS 47 3.599 11.760 9.317 114 1HB LYS 47 2HB LYS 47 1.408 9.985 8.134 115 2HB LYS 47 3HB LYS 47 2.915 9.363 8.823 116 1HG LYS 47 2HG LYS 47 1.783 9.169 10.692 117 2HG LYS 47 3HG LYS 47 2.211 10.867 10.905 118 1HD LYS 47 2HD LYS 47 -0.075 11.324 9.684 119 2HD LYS 47 3HD LYS 47 -0.454 9.653 10.017 120 1HE LYS 47 2HE LYS 47 0.214 11.815 12.062 121 2HE LYS 47 3HE LYS 47 -1.375 11.103 11.767 122 1HZ LYS 47 1HZ LYS 47 -0.549 8.986 12.579 123 2HZ LYS 47 2HZ LYS 47 0.951 9.584 12.769 124 3HZ LYS 47 3HZ LYS 47 -0.292 10.125 13.694 125 H THR 48 H THR 48 3.283 9.488 6.862 126 HA THR 48 HA THR 48 5.835 10.263 5.863 127 HB THR 48 HB THR 48 4.738 7.922 6.081 128 HG1 THR 48 1HG THR 48 6.219 7.206 4.664 129 1HG2 THR 48 1HG2 THR 48 3.690 6.982 4.141 130 2HG2 THR 48 2HG2 THR 48 2.765 8.429 4.573 131 3HG2 THR 48 3HG2 THR 48 3.903 8.473 3.209 132 H ASP 49 H ASP 49 2.552 10.690 4.637 133 HA ASP 49 HA ASP 49 2.782 11.520 2.089 134 1HB ASP 49 2HB ASP 49 1.197 13.022 4.233 135 2HB ASP 49 3HB ASP 49 0.792 12.829 2.523 136 H THR 50 H THR 50 3.551 13.405 4.967 137 HA THR 50 HA THR 50 4.585 15.677 3.319 138 HB THR 50 HB THR 50 3.615 15.825 6.187 139 HG1 THR 50 1HG THR 50 1.584 16.464 5.245 140 1HG2 THR 50 1HG2 THR 50 3.065 18.165 5.552 141 2HG2 THR 50 2HG2 THR 50 4.780 17.846 5.263 142 3HG2 THR 50 3HG2 THR 50 3.643 17.857 3.901 143 H GLY 51 H GLY 51 5.819 13.035 4.595 144 1HA GLY 51 1HA GLY 51 7.529 12.337 5.905 145 2HA GLY 51 2HA GLY 51 8.380 13.686 5.143 146 H VAL 52 H VAL 52 5.674 14.000 7.527 147 HA VAL 52 HA VAL 52 7.456 15.868 8.984 148 HB VAL 52 HB VAL 52 5.490 16.253 10.468 149 1HG1 VAL 52 1HG1 VAL 52 5.208 16.749 7.491 150 2HG1 VAL 52 2HG1 VAL 52 4.252 17.558 8.749 151 3HG1 VAL 52 3HG1 VAL 52 6.010 17.783 8.681 152 1HG2 VAL 52 1HG2 VAL 52 4.319 14.086 10.044 153 2HG2 VAL 52 2HG2 VAL 52 3.308 15.521 9.804 154 3HG2 VAL 52 3HG2 VAL 52 3.947 14.652 8.396 155 H LYS 53 H LYS 53 6.447 12.582 9.382 156 HA LYS 53 HA LYS 53 7.979 12.461 11.925 157 1HB LYS 53 2HB LYS 53 5.212 11.443 11.382 158 2HB LYS 53 3HB LYS 53 6.274 10.452 12.404 159 1HG LYS 53 2HG LYS 53 5.877 13.427 12.850 160 2HG LYS 53 3HG LYS 53 4.814 12.223 13.568 161 1HD LYS 53 2HD LYS 53 6.337 11.557 15.119 162 2HD LYS 53 3HD LYS 53 7.656 11.477 13.952 163 1HE LYS 53 2HE LYS 53 7.985 13.922 14.067 164 2HE LYS 53 3HE LYS 53 6.652 14.051 15.224 165 1HZ LYS 53 1HZ LYS 53 9.181 12.579 15.639 166 2HZ LYS 53 2HZ LYS 53 8.780 14.017 16.321 167 3HZ LYS 53 3HZ LYS 53 7.952 12.659 16.732 168 HA PRO 54 HA PRO 54 9.200 8.514 9.956 169 1HB PRO 54 2HB PRO 54 7.864 7.188 7.994 170 2HB PRO 54 3HB PRO 54 7.381 7.093 9.715 171 1HG PRO 54 2HG PRO 54 6.256 8.888 7.571 172 2HG PRO 54 3HG PRO 54 5.335 7.858 8.703 173 1HD PRO 54 2HD PRO 54 5.760 10.533 9.144 174 2HD PRO 54 3HD PRO 54 5.718 9.336 10.478 175 H GLU 55 H GLU 55 11.023 9.118 8.784 176 HA GLU 55 HA GLU 55 10.919 10.775 6.423 177 1HB GLU 55 2HB GLU 55 13.112 9.052 7.674 178 2HB GLU 55 3HB GLU 55 13.349 10.129 6.293 179 1HG GLU 55 2HG GLU 55 12.686 12.076 7.635 180 2HG GLU 55 3HG GLU 55 12.396 11.046 9.047 181 H ALA 56 H ALA 56 11.628 10.055 4.326 182 HA ALA 56 HA ALA 56 10.341 7.704 3.339 183 1HB ALA 56 1HB ALA 56 12.471 9.490 2.091 184 2HB ALA 56 2HB ALA 56 11.448 8.338 1.204 185 3HB ALA 56 3HB ALA 56 10.716 9.743 1.999 186 H GLY 57 H GLY 57 11.615 6.039 1.982 187 1HA GLY 57 1HA GLY 57 13.185 4.391 1.800 188 2HA GLY 57 2HA GLY 57 14.318 5.408 2.696 189 H GLN 58 H GLN 58 11.384 4.809 4.429 190 HA GLN 58 HA GLN 58 12.750 2.809 6.166 191 1HB GLN 58 2HB GLN 58 10.354 4.630 6.581 192 2HB GLN 58 3HB GLN 58 10.764 3.290 7.665 193 1HG GLN 58 2HG GLN 58 13.024 4.252 8.036 194 2HG GLN 58 3HG GLN 58 12.585 5.654 7.039 195 1HE2 GLN 58 1HE2 GLN 58 10.583 6.869 7.742 196 2HE2 GLN 58 2HE2 GLN 58 10.211 6.881 9.478 197 H ARG 59 H ARG 59 11.743 0.892 6.690 198 HA ARG 59 HA ARG 59 10.022 -0.211 4.612 199 1HB ARG 59 2HB ARG 59 12.023 -1.199 6.491 200 2HB ARG 59 3HB ARG 59 10.545 -2.061 6.799 201 1HG ARG 59 2HG ARG 59 11.490 -1.963 3.938 202 2HG ARG 59 3HG ARG 59 12.451 -2.859 5.116 203 1HD ARG 59 2HD ARG 59 10.142 -3.967 5.793 204 2HD ARG 59 3HD ARG 59 9.649 -3.408 4.189 205 HE ARG 59 HE ARG 59 12.162 -4.911 4.204 206 1HH1 ARG 59 2HH2 ARG 59 8.642 -5.223 4.180 207 2HH1 ARG 59 1HH2 ARG 59 8.655 -6.843 3.517 208 1HH2 ARG 59 1HH1 ARG 59 12.149 -7.158 3.354 209 2HH2 ARG 59 2HH1 ARG 59 10.618 -7.806 2.841 210 H ILE 60 H ILE 60 7.771 -0.390 4.950 211 HA ILE 60 HA ILE 60 6.797 -0.858 7.652 212 HB ILE 60 HB ILE 60 5.022 0.721 7.627 213 1HG1 ILE 60 2HG1 ILE 60 6.127 2.066 5.133 214 2HG1 ILE 60 3HG1 ILE 60 4.804 0.895 5.086 215 1HG2 ILE 60 1HG2 ILE 60 7.583 2.296 7.160 216 2HG2 ILE 60 2HG2 ILE 60 6.175 2.795 8.111 217 3HG2 ILE 60 3HG2 ILE 60 7.154 1.439 8.660 218 1HD1 ILE 60 1HD1 ILE 60 3.758 3.000 5.165 219 2HD1 ILE 60 2HD1 ILE 60 3.542 2.275 6.755 220 3HD1 ILE 60 3HD1 ILE 60 4.760 3.555 6.517 221 H ARG 61 H ARG 61 4.309 -1.399 7.419 222 HA ARG 61 HA ARG 61 3.811 -2.492 4.707 223 1HB ARG 61 2HB ARG 61 2.826 -3.911 7.148 224 2HB ARG 61 3HB ARG 61 3.139 -4.572 5.564 225 1HG ARG 61 2HG ARG 61 5.574 -4.524 6.060 226 2HG ARG 61 3HG ARG 61 5.308 -3.708 7.582 227 1HD ARG 61 2HD ARG 61 3.972 -5.500 8.470 228 2HD ARG 61 3HD ARG 61 4.157 -6.428 6.982 229 HE ARG 61 HE ARG 61 6.760 -5.865 7.830 230 1HH1 ARG 61 2HH2 ARG 61 3.947 -7.560 9.049 231 2HH1 ARG 61 1HH2 ARG 61 4.820 -8.635 10.103 232 1HH2 ARG 61 1HH1 ARG 61 7.978 -7.232 9.300 233 2HH2 ARG 61 2HH1 ARG 61 7.181 -8.506 10.149 234 H VAL 62 H VAL 62 1.875 -1.974 3.887 235 HA VAL 62 HA VAL 62 0.063 -0.325 5.611 236 HB VAL 62 HB VAL 62 0.754 0.830 3.644 237 1HG1 VAL 62 1HG1 VAL 62 1.246 -1.103 2.124 238 2HG1 VAL 62 2HG1 VAL 62 -0.515 -1.336 1.917 239 3HG1 VAL 62 3HG1 VAL 62 0.264 0.164 1.399 240 1HG2 VAL 62 1HG2 VAL 62 -1.426 1.401 2.709 241 2HG2 VAL 62 2HG2 VAL 62 -2.134 -0.106 3.304 242 3HG2 VAL 62 3HG2 VAL 62 -1.584 1.134 4.456 243 H GLY 63 H GLY 63 -1.767 -1.271 6.362 244 1HA GLY 63 1HA GLY 63 -2.826 -3.714 4.961 245 2HA GLY 63 2HA GLY 63 -2.786 -3.483 6.706 246 H GLY 64 H GLY 64 -4.894 -3.543 4.186 247 1HA GLY 64 1HA GLY 64 -6.963 -2.135 5.492 248 2HA GLY 64 2HA GLY 64 -6.217 -1.025 4.324 249 H MET 65 H MET 65 -8.336 -1.076 3.275 250 HA MET 65 HA MET 65 -8.983 -3.588 1.854 251 1HB MET 65 2HB MET 65 -11.227 -2.272 1.540 252 2HB MET 65 3HB MET 65 -10.907 -3.343 2.895 253 1HG MET 65 2HG MET 65 -10.398 -0.371 3.044 254 2HG MET 65 3HG MET 65 -11.970 -1.063 3.409 255 1HE MET 65 1HE MET 65 -12.586 -2.441 5.516 256 2HE MET 65 2HE MET 65 -11.413 -3.716 5.086 257 3HE MET 65 3HE MET 65 -11.406 -3.011 6.717 258 H VAL 66 H VAL 66 -8.827 -3.748 -0.179 259 HA VAL 66 HA VAL 66 -7.763 -1.687 -1.904 260 HB VAL 66 HB VAL 66 -9.256 -4.295 -2.476 261 1HG1 VAL 66 1HG1 VAL 66 -7.594 -2.559 -4.352 262 2HG1 VAL 66 2HG1 VAL 66 -8.220 -4.179 -4.727 263 3HG1 VAL 66 3HG1 VAL 66 -9.348 -2.847 -4.460 264 1HG2 VAL 66 1HG2 VAL 66 -6.270 -3.683 -2.406 265 2HG2 VAL 66 2HG2 VAL 66 -7.160 -4.693 -1.246 266 3HG2 VAL 66 3HG2 VAL 66 -7.001 -5.213 -2.922 267 H THR 67 H THR 67 -8.938 -0.218 -3.160 268 HA THR 67 HA THR 67 -11.425 0.731 -2.276 269 HB THR 67 HB THR 67 -10.225 0.966 -5.055 270 HG1 THR 67 1HG THR 67 -8.778 1.673 -3.342 271 1HG2 THR 67 1HG2 THR 67 -11.391 3.371 -4.662 272 2HG2 THR 67 2HG2 THR 67 -12.251 2.010 -5.378 273 3HG2 THR 67 3HG2 THR 67 -12.466 2.400 -3.654 274 H VAL 68 H VAL 68 -11.308 -0.644 -5.530 275 HA VAL 68 HA VAL 68 -13.124 -2.658 -5.373 276 HB VAL 68 HB VAL 68 -14.874 -1.293 -4.477 277 1HG1 VAL 68 1HG1 VAL 68 -14.138 0.964 -4.925 278 2HG1 VAL 68 2HG1 VAL 68 -14.294 0.734 -6.681 279 3HG1 VAL 68 3HG1 VAL 68 -15.731 0.737 -5.641 280 1HG2 VAL 68 1HG2 VAL 68 -15.404 -1.524 -7.412 281 2HG2 VAL 68 2HG2 VAL 68 -15.411 -2.866 -6.230 282 3HG2 VAL 68 3HG2 VAL 68 -16.559 -1.516 -6.054 283 H GLY 69 H GLY 69 -12.223 0.310 -7.188 284 1HA GLY 69 1HA GLY 69 -11.362 -1.434 -9.437 285 2HA GLY 69 2HA GLY 69 -12.546 -0.158 -9.761 286 H SER 70 H SER 70 -9.999 0.271 -7.330 287 HA SER 70 HA SER 70 -8.782 2.425 -8.938 288 1HB SER 70 2HB SER 70 -8.039 1.454 -6.159 289 2HB SER 70 3HB SER 70 -7.535 2.958 -6.959 290 HG SER 70 HG SER 70 -9.414 3.031 -5.442 291 H MET 71 H MET 71 -8.430 -0.823 -9.123 292 HA MET 71 HA MET 71 -5.554 -1.137 -9.042 293 1HB MET 71 2HB MET 71 -7.948 -2.744 -9.687 294 2HB MET 71 3HB MET 71 -6.679 -3.018 -10.867 295 1HG MET 71 2HG MET 71 -5.953 -3.121 -7.949 296 2HG MET 71 3HG MET 71 -6.858 -4.442 -8.686 297 1HE MET 71 1HE MET 71 -2.648 -3.299 -10.166 298 2HE MET 71 2HE MET 71 -4.078 -2.386 -10.644 299 3HE MET 71 3HE MET 71 -3.526 -2.374 -8.942 300 H VAL 72 H VAL 72 -4.299 0.127 -10.370 301 HA VAL 72 HA VAL 72 -5.121 0.237 -13.248 302 HB VAL 72 HB VAL 72 -3.891 2.343 -13.454 303 1HG1 VAL 72 1HG1 VAL 72 -6.365 2.237 -13.332 304 2HG1 VAL 72 2HG1 VAL 72 -6.286 2.433 -11.568 305 3HG1 VAL 72 3HG1 VAL 72 -5.730 3.736 -12.635 306 1HG2 VAL 72 1HG2 VAL 72 -3.984 2.406 -10.400 307 2HG2 VAL 72 2HG2 VAL 72 -2.542 2.373 -11.449 308 3HG2 VAL 72 3HG2 VAL 72 -3.606 3.781 -11.453 309 H ARG 73 H ARG 73 -4.016 -1.213 -14.229 310 HA ARG 73 HA ARG 73 -1.226 -1.815 -13.441 311 1HB ARG 73 2HB ARG 73 -1.414 -3.853 -14.540 312 2HB ARG 73 3HB ARG 73 -2.927 -3.689 -13.620 313 1HG ARG 73 2HG ARG 73 -4.138 -3.065 -15.650 314 2HG ARG 73 3HG ARG 73 -2.626 -3.128 -16.588 315 1HD ARG 73 2HD ARG 73 -2.361 -5.517 -15.783 316 2HD ARG 73 3HD ARG 73 -4.072 -5.454 -15.294 317 HE ARG 73 HE ARG 73 -4.207 -4.547 -17.839 318 1HH1 ARG 73 2HH2 ARG 73 -2.736 -7.446 -16.482 319 2HH1 ARG 73 1HH2 ARG 73 -2.538 -8.266 -17.999 320 1HH2 ARG 73 1HH1 ARG 73 -3.998 -5.612 -19.881 321 2HH2 ARG 73 2HH1 ARG 73 -3.339 -7.212 -19.971 322 H ASP 74 H ASP 74 0.489 -1.758 -14.947 323 HA ASP 74 HA ASP 74 0.088 0.137 -17.168 324 1HB ASP 74 2HB ASP 74 2.498 -1.479 -16.245 325 2HB ASP 74 3HB ASP 74 2.489 -0.340 -17.597 326 HA PRO 75 HA PRO 75 0.038 -3.361 -20.113 327 1HB PRO 75 2HB PRO 75 0.482 -2.067 -22.481 328 2HB PRO 75 3HB PRO 75 -1.011 -1.755 -21.554 329 1HG PRO 75 2HG PRO 75 1.558 -0.137 -21.485 330 2HG PRO 75 3HG PRO 75 -0.096 0.471 -21.790 331 1HD PRO 75 2HD PRO 75 1.054 0.531 -19.307 332 2HD PRO 75 3HD PRO 75 -0.694 0.223 -19.509 333 H ASN 76 H ASN 76 2.478 -2.521 -18.545 334 HA ASN 76 HA ASN 76 4.569 -3.687 -20.288 335 1HB ASN 76 2HB ASN 76 4.668 -2.831 -17.358 336 2HB ASN 76 3HB ASN 76 6.015 -3.339 -18.399 337 1HD2 ASN 76 1HD2 ASN 76 4.614 -0.483 -17.103 338 2HD2 ASN 76 2HD2 ASN 76 5.215 0.544 -18.358 339 H SER 77 H SER 77 2.078 -4.412 -17.911 340 HA SER 77 HA SER 77 1.325 -6.300 -16.963 341 1HB SER 77 2HB SER 77 3.204 -7.871 -18.774 342 2HB SER 77 3HB SER 77 1.843 -8.503 -17.858 343 HG SER 77 HG SER 77 1.500 -7.896 -20.171 344 H LEU 78 H LEU 78 4.100 -4.994 -16.298 345 HA LEU 78 HA LEU 78 4.858 -6.922 -14.173 346 1HB LEU 78 2HB LEU 78 7.209 -6.263 -14.500 347 2HB LEU 78 3HB LEU 78 6.451 -7.284 -15.715 348 HG LEU 78 HG LEU 78 6.001 -5.030 -17.011 349 1HD1 LEU 78 1HD1 LEU 78 7.648 -3.307 -16.614 350 2HD1 LEU 78 2HD1 LEU 78 6.684 -3.613 -15.156 351 3HD1 LEU 78 3HD1 LEU 78 8.340 -4.246 -15.261 352 1HD2 LEU 78 1HD2 LEU 78 8.064 -5.285 -18.200 353 2HD2 LEU 78 2HD2 LEU 78 8.718 -6.304 -16.880 354 3HD2 LEU 78 3HD2 LEU 78 7.304 -6.840 -17.828 355 H HIS 79 H HID 79 3.316 -4.095 -14.613 356 HA HIS 79 HA HID 79 4.267 -2.963 -12.047 357 1HB HIS 79 2HB HID 79 4.082 -1.590 -14.729 358 2HB HIS 79 3HB HID 79 3.766 -0.685 -13.246 359 HD1 HIS 79 1HD HID 79 6.003 -1.379 -11.343 360 HD2 HIS 79 2HD HID 79 6.437 -0.981 -15.512 361 HE1 HIS 79 1HE HID 79 8.443 -0.751 -11.762 362 H VAL 80 H VAL 80 2.650 -2.334 -10.767 363 HA VAL 80 HA VAL 80 -0.109 -2.021 -11.724 364 HB VAL 80 HB VAL 80 -0.501 -3.873 -9.797 365 1HG1 VAL 80 1HG1 VAL 80 -0.941 -5.563 -11.478 366 2HG1 VAL 80 2HG1 VAL 80 -1.503 -3.975 -12.006 367 3HG1 VAL 80 3HG1 VAL 80 -0.010 -4.659 -12.687 368 1HG2 VAL 80 1HG2 VAL 80 0.972 -5.740 -9.943 369 2HG2 VAL 80 2HG2 VAL 80 1.938 -5.025 -11.229 370 3HG2 VAL 80 3HG2 VAL 80 1.989 -4.344 -9.595 371 H GLN 81 H GLN 81 -1.123 -0.443 -10.429 372 HA GLN 81 HA GLN 81 -0.167 -0.342 -7.620 373 1HB GLN 81 2HB GLN 81 0.017 2.048 -7.605 374 2HB GLN 81 3HB GLN 81 1.108 1.384 -8.842 375 1HG GLN 81 2HG GLN 81 -0.504 1.929 -10.591 376 2HG GLN 81 3HG GLN 81 -1.645 2.551 -9.367 377 1HE2 GLN 81 1HE2 GLN 81 -1.250 4.288 -11.254 378 2HE2 GLN 81 2HE2 GLN 81 -0.056 5.498 -10.848 379 H PHE 82 H PHE 82 -1.622 0.653 -6.159 380 HA PHE 82 HA PHE 82 -4.416 0.863 -7.070 381 1HB PHE 82 2HB PHE 82 -5.210 -0.894 -5.626 382 2HB PHE 82 3HB PHE 82 -4.095 -1.549 -6.807 383 HD1 PHE 82 1HD PHE 82 -4.975 -1.559 -3.377 384 HD2 PHE 82 2HD PHE 82 -1.563 -1.860 -6.009 385 HE1 PHE 82 1HE PHE 82 -3.695 -2.737 -1.615 386 HE2 PHE 82 2HE PHE 82 -0.251 -2.887 -4.188 387 HZ PHE 82 HZ PHE 82 -1.317 -3.340 -1.983 388 H ALA 83 H ALA 83 -5.741 1.946 -5.673 389 HA ALA 83 HA ALA 83 -4.431 3.400 -3.461 390 1HB ALA 83 1HB ALA 83 -6.417 4.784 -3.436 391 2HB ALA 83 2HB ALA 83 -5.762 4.699 -5.081 392 3HB ALA 83 3HB ALA 83 -7.206 3.753 -4.644 393 H VAL 84 H VAL 84 -4.780 2.907 -1.387 394 HA VAL 84 HA VAL 84 -6.894 0.896 -0.658 395 HB VAL 84 HB VAL 84 -4.239 1.518 0.713 396 1HG1 VAL 84 1HG1 VAL 84 -6.128 0.809 2.258 397 2HG1 VAL 84 2HG1 VAL 84 -6.257 -0.685 1.315 398 3HG1 VAL 84 3HG1 VAL 84 -4.768 -0.325 2.204 399 1HG2 VAL 84 1HG2 VAL 84 -3.658 -0.821 0.055 400 2HG2 VAL 84 2HG2 VAL 84 -5.167 -0.909 -0.881 401 3HG2 VAL 84 3HG2 VAL 84 -3.881 0.221 -1.359 402 H HIS 85 H HID 85 -8.450 1.686 0.775 403 HA HIS 85 HA HID 85 -7.909 3.962 2.434 404 1HB HIS 85 2HB HID 85 -9.350 5.560 1.497 405 2HB HIS 85 3HB HID 85 -8.343 5.022 0.156 406 HD1 HIS 85 1HD HID 85 -11.504 6.245 0.352 407 HD2 HIS 85 2HD HID 85 -10.014 2.514 -0.901 408 HE1 HIS 85 1HE HID 85 -13.248 5.251 -1.232 409 H ASP 86 H ASP 86 -9.773 4.357 3.943 410 HA ASP 86 HA ASP 86 -12.094 2.631 3.652 411 1HB ASP 86 2HB ASP 86 -10.487 1.202 4.894 412 2HB ASP 86 3HB ASP 86 -10.311 2.437 6.129 413 H SER 87 H SER 87 -13.601 3.114 5.411 414 HA SER 87 HA SER 87 -14.642 5.610 5.619 415 1HB SER 87 2HB SER 87 -15.576 3.478 6.509 416 2HB SER 87 3HB SER 87 -14.475 3.570 7.890 417 HG SER 87 HG SER 87 -16.595 4.442 8.291 418 H LEU 88 H LEU 88 -12.276 4.324 7.995 419 HA LEU 88 HA LEU 88 -11.439 7.130 8.668 420 1HB LEU 88 2HB LEU 88 -11.668 4.622 10.365 421 2HB LEU 88 3HB LEU 88 -10.533 5.897 10.782 422 HG LEU 88 HG LEU 88 -12.535 6.076 12.058 423 1HD1 LEU 88 1HD1 LEU 88 -12.406 8.452 10.154 424 2HD1 LEU 88 2HD1 LEU 88 -12.922 8.441 11.844 425 3HD1 LEU 88 3HD1 LEU 88 -11.224 8.129 11.442 426 1HD2 LEU 88 1HD2 LEU 88 -14.170 5.180 10.390 427 2HD2 LEU 88 2HD2 LEU 88 -14.697 6.650 11.231 428 3HD2 LEU 88 3HD2 LEU 88 -14.123 6.758 9.566 429 H GLY 89 H GLY 89 -10.496 4.235 7.113 430 1HA GLY 89 1HA GLY 89 -7.651 4.391 7.789 431 2HA GLY 89 2HA GLY 89 -8.412 3.307 6.645 432 H GLY 90 H GLY 90 -8.125 6.817 7.075 433 1HA GLY 90 1HA GLY 90 -7.862 8.531 5.526 434 2HA GLY 90 2HA GLY 90 -6.291 7.703 5.465 435 H GLU 91 H GLU 91 -5.615 7.754 3.409 436 HA GLU 91 HA GLU 91 -6.763 5.987 1.556 437 1HB GLU 91 2HB GLU 91 -8.138 8.088 1.018 438 2HB GLU 91 3HB GLU 91 -6.613 8.916 0.681 439 1HG GLU 91 2HG GLU 91 -6.616 6.458 -0.844 440 2HG GLU 91 3HG GLU 91 -8.199 7.211 -1.042 441 H ILE 92 H ILE 92 -4.917 5.228 0.331 442 HA ILE 92 HA ILE 92 -2.755 7.076 -0.101 443 HB ILE 92 HB ILE 92 -2.381 6.116 2.271 444 1HG1 ILE 92 2HG1 ILE 92 -0.012 5.855 2.073 445 2HG1 ILE 92 3HG1 ILE 92 -0.102 5.616 0.323 446 1HG2 ILE 92 1HG2 ILE 92 -1.548 3.906 2.539 447 2HG2 ILE 92 2HG2 ILE 92 -3.067 3.771 1.639 448 3HG2 ILE 92 3HG2 ILE 92 -1.514 3.605 0.794 449 1HD1 ILE 92 1HD1 ILE 92 0.551 7.957 1.204 450 2HD1 ILE 92 2HD1 ILE 92 -0.715 7.909 -0.032 451 3HD1 ILE 92 3HD1 ILE 92 -1.144 8.138 1.680 452 H LEU 93 H LEU 93 -1.168 6.288 -1.614 453 HA LEU 93 HA LEU 93 -2.307 4.204 -3.389 454 1HB LEU 93 2HB LEU 93 -0.715 6.711 -3.824 455 2HB LEU 93 3HB LEU 93 -0.438 5.379 -4.949 456 HG LEU 93 HG LEU 93 -3.245 6.347 -4.327 457 1HD1 LEU 93 1HD1 LEU 93 -1.569 7.223 -6.715 458 2HD1 LEU 93 2HD1 LEU 93 -3.203 7.739 -6.281 459 3HD1 LEU 93 3HD1 LEU 93 -1.839 8.236 -5.266 460 1HD2 LEU 93 1HD2 LEU 93 -3.726 5.302 -6.537 461 2HD2 LEU 93 2HD2 LEU 93 -2.019 4.850 -6.709 462 3HD2 LEU 93 3HD2 LEU 93 -3.011 4.109 -5.450 463 H VAL 94 H VAL 94 -1.408 2.316 -3.546 464 HA VAL 94 HA VAL 94 1.332 1.868 -2.473 465 HB VAL 94 HB VAL 94 -0.948 -0.108 -2.850 466 1HG1 VAL 94 1HG1 VAL 94 1.336 -1.076 -2.699 467 2HG1 VAL 94 2HG1 VAL 94 1.625 -0.162 -1.204 468 3HG1 VAL 94 3HG1 VAL 94 0.398 -1.449 -1.240 469 1HG2 VAL 94 1HG2 VAL 94 -1.769 1.530 -1.259 470 2HG2 VAL 94 2HG2 VAL 94 -1.273 0.085 -0.379 471 3HG2 VAL 94 3HG2 VAL 94 -0.220 1.524 -0.393 472 H THR 95 H THR 95 2.880 1.201 -3.948 473 HA THR 95 HA THR 95 1.966 0.507 -6.696 474 HB THR 95 HB THR 95 4.287 1.171 -7.334 475 HG1 THR 95 1HG THR 95 5.522 2.270 -5.840 476 1HG2 THR 95 1HG2 THR 95 2.390 2.776 -7.519 477 2HG2 THR 95 2HG2 THR 95 2.713 3.346 -5.870 478 3HG2 THR 95 3HG2 THR 95 3.912 3.600 -7.158 479 H TYR 96 H TYR 96 2.749 -1.320 -7.700 480 HA TYR 96 HA TYR 96 4.342 -3.273 -6.173 481 1HB TYR 96 2HB TYR 96 1.785 -3.392 -5.801 482 2HB TYR 96 3HB TYR 96 1.640 -3.872 -7.472 483 HD1 TYR 96 HD1 TYR 96 1.975 -4.980 -4.145 484 HD2 TYR 96 HD2 TYR 96 2.939 -6.067 -8.184 485 HE1 TYR 96 HE1 TYR 96 2.462 -7.320 -3.448 486 HE2 TYR 96 HE2 TYR 96 3.436 -8.371 -7.457 487 HH TYR 96 HH TYR 96 3.073 -9.913 -5.791 488 H ASP 97 H ASP 97 4.981 -5.136 -7.747 489 HA ASP 97 HA ASP 97 5.071 -4.493 -10.501 490 1HB ASP 97 2HB ASP 97 7.578 -4.777 -10.400 491 2HB ASP 97 3HB ASP 97 7.004 -3.256 -9.702 492 H ASP 98 H ASP 98 5.667 -6.294 -11.529 493 HA ASP 98 HA ASP 98 5.307 -8.402 -12.269 494 1HB ASP 98 2HB ASP 98 6.753 -8.898 -9.703 495 2HB ASP 98 3HB ASP 98 5.887 -10.241 -10.425 496 H LEU 99 H LEU 99 3.079 -7.361 -12.095 497 HA LEU 99 HA LEU 99 0.850 -7.593 -11.884 498 1HB LEU 99 2HB LEU 99 1.775 -10.474 -11.957 499 2HB LEU 99 3HB LEU 99 0.066 -10.057 -11.983 500 HG LEU 99 HG LEU 99 1.770 -8.539 -13.888 501 1HD1 LEU 99 1HD1 LEU 99 1.093 -11.471 -14.327 502 2HD1 LEU 99 2HD1 LEU 99 1.716 -10.352 -15.562 503 3HD1 LEU 99 3HD1 LEU 99 2.718 -10.765 -14.160 504 1HD2 LEU 99 1HD2 LEU 99 -0.692 -8.202 -13.720 505 2HD2 LEU 99 2HD2 LEU 99 -0.187 -8.762 -15.326 506 3HD2 LEU 99 3HD2 LEU 99 -0.936 -9.900 -14.189 507 H LEU 100 H LEU 100 -0.893 -9.290 -10.406 508 HA LEU 100 HA LEU 100 -0.019 -9.043 -7.606 509 1HB LEU 100 2HB LEU 100 -2.236 -7.471 -8.966 510 2HB LEU 100 3HB LEU 100 -2.509 -8.018 -7.313 511 HG LEU 100 HG LEU 100 -0.076 -6.354 -8.071 512 1HD1 LEU 100 1HD1 LEU 100 -2.776 -5.457 -6.988 513 2HD1 LEU 100 2HD1 LEU 100 -1.326 -4.437 -7.150 514 3HD1 LEU 100 3HD1 LEU 100 -2.100 -5.108 -8.594 515 1HD2 LEU 100 1HD2 LEU 100 -1.444 -7.142 -5.480 516 2HD2 LEU 100 2HD2 LEU 100 0.206 -7.534 -5.978 517 3HD2 LEU 100 3HD2 LEU 100 -0.235 -5.858 -5.581 518 HA PRO 101 HA PRO 101 -2.137 -12.913 -7.660 519 1HB PRO 101 2HB PRO 101 -3.108 -13.209 -5.115 520 2HB PRO 101 3HB PRO 101 -1.365 -13.252 -5.509 521 1HG PRO 101 2HG PRO 101 -2.965 -10.885 -4.498 522 2HG PRO 101 3HG PRO 101 -1.410 -11.507 -3.870 523 1HD PRO 101 2HD PRO 101 -1.532 -9.431 -5.611 524 2HD PRO 101 3HD PRO 101 -0.221 -10.640 -5.748 525 H ASP 102 H ASP 102 -3.928 -13.057 -8.917 526 HA ASP 102 HA ASP 102 -5.887 -12.477 -9.916 527 1HB ASP 102 2HB ASP 102 -6.724 -13.129 -7.059 528 2HB ASP 102 3HB ASP 102 -7.839 -12.840 -8.397 529 H LEU 103 H LEU 103 -4.536 -10.208 -9.465 530 HA LEU 103 HA LEU 103 -4.560 -8.035 -9.082 531 1HB LEU 103 2HB LEU 103 -6.330 -6.736 -10.067 532 2HB LEU 103 3HB LEU 103 -5.938 -8.091 -11.104 533 HG LEU 103 HG LEU 103 -8.239 -8.433 -9.176 534 1HD1 LEU 103 1HD1 LEU 103 -8.365 -6.668 -11.634 535 2HD1 LEU 103 2HD1 LEU 103 -9.769 -7.321 -10.765 536 3HD1 LEU 103 3HD1 LEU 103 -8.669 -6.198 -9.944 537 1HD2 LEU 103 1HD2 LEU 103 -7.496 -10.211 -10.930 538 2HD2 LEU 103 2HD2 LEU 103 -9.194 -9.718 -10.980 539 3HD2 LEU 103 3HD2 LEU 103 -8.038 -9.065 -12.157 540 H PHE 104 H PHE 104 -5.565 -9.639 -6.704 541 HA PHE 104 HA PHE 104 -6.714 -9.537 -4.868 542 1HB PHE 104 2HB PHE 104 -6.937 -6.539 -5.126 543 2HB PHE 104 3HB PHE 104 -7.221 -7.534 -3.699 544 HD1 PHE 104 1HD PHE 104 -4.980 -9.209 -3.274 545 HD2 PHE 104 2HD PHE 104 -5.018 -5.187 -4.873 546 HE1 PHE 104 1HE PHE 104 -2.693 -8.827 -2.411 547 HE2 PHE 104 2HE PHE 104 -2.699 -4.895 -4.159 548 HZ PHE 104 HZ PHE 104 -1.596 -6.623 -2.771 549 H ARG 105 H ARG 105 -8.618 -10.406 -5.135 550 HA ARG 105 HA ARG 105 -10.502 -9.667 -7.208 551 1HB ARG 105 2HB ARG 105 -10.838 -11.376 -4.700 552 2HB ARG 105 3HB ARG 105 -11.989 -11.337 -6.029 553 1HG ARG 105 2HG ARG 105 -9.076 -12.199 -6.392 554 2HG ARG 105 3HG ARG 105 -10.354 -13.293 -5.857 555 1HD ARG 105 2HD ARG 105 -11.669 -12.636 -7.926 556 2HD ARG 105 3HD ARG 105 -10.180 -11.861 -8.524 557 HE ARG 105 HE ARG 105 -9.158 -14.267 -7.955 558 1HH1 ARG 105 2HH2 ARG 105 -12.119 -13.582 -9.740 559 2HH1 ARG 105 1HH2 ARG 105 -12.190 -15.163 -10.463 560 1HH2 ARG 105 1HH1 ARG 105 -9.113 -16.109 -8.910 561 2HH2 ARG 105 2HH1 ARG 105 -10.417 -16.767 -9.899 562 H GLU 106 H GLU 106 -11.871 -7.910 -7.047 563 HA GLU 106 HA GLU 106 -10.592 -6.358 -5.335 564 1HB GLU 106 2HB GLU 106 -13.060 -5.528 -6.921 565 2HB GLU 106 3HB GLU 106 -11.782 -4.480 -6.297 566 1HG GLU 106 2HG GLU 106 -11.090 -4.686 -8.455 567 2HG GLU 106 3HG GLU 106 -10.167 -5.999 -7.739 568 H GLY 107 H GLY 107 -10.820 -5.309 -3.499 569 1HA GLY 107 1HA GLY 107 -11.747 -4.404 -1.577 570 2HA GLY 107 2HA GLY 107 -13.363 -4.874 -2.109 571 H GLN 108 H GLN 108 -10.266 -6.624 -1.369 572 HA GLN 108 HA GLN 108 -11.794 -8.500 0.419 573 1HB GLN 108 2HB GLN 108 -10.523 -10.244 -0.504 574 2HB GLN 108 3HB GLN 108 -11.462 -9.465 -1.767 575 1HG GLN 108 2HG GLN 108 -9.513 -8.691 -2.915 576 2HG GLN 108 3HG GLN 108 -8.633 -8.407 -1.469 577 1HE2 GLN 108 1HE2 GLN 108 -8.244 -10.479 -0.119 578 2HE2 GLN 108 2HE2 GLN 108 -7.569 -11.840 -1.031 579 H GLY 109 H GLY 109 -10.719 -6.640 1.583 580 1HA GLY 109 1HA GLY 109 -8.580 -5.578 2.104 581 2HA GLY 109 2HA GLY 109 -9.215 -6.338 3.548 582 H ILE 110 H ILE 110 -6.400 -5.612 2.276 583 HA ILE 110 HA ILE 110 -5.061 -8.226 2.772 584 HB ILE 110 HB ILE 110 -3.743 -8.104 0.763 585 1HG1 ILE 110 2HG1 ILE 110 -4.781 -6.605 -1.137 586 2HG1 ILE 110 3HG1 ILE 110 -5.303 -5.563 0.179 587 1HG2 ILE 110 1HG2 ILE 110 -5.929 -9.355 0.839 588 2HG2 ILE 110 2HG2 ILE 110 -6.657 -7.981 -0.025 589 3HG2 ILE 110 3HG2 ILE 110 -5.358 -8.915 -0.776 590 1HD1 ILE 110 1HD1 ILE 110 -2.423 -6.501 -0.255 591 2HD1 ILE 110 2HD1 ILE 110 -3.085 -4.983 -0.882 592 3HD1 ILE 110 3HD1 ILE 110 -2.961 -5.226 0.863 593 H VAL 111 H VAL 111 -2.651 -7.935 2.783 594 HA VAL 111 HA VAL 111 -1.905 -5.266 3.874 595 HB VAL 111 HB VAL 111 -0.303 -6.533 5.339 596 1HG1 VAL 111 1HG1 VAL 111 -2.140 -7.177 7.048 597 2HG1 VAL 111 2HG1 VAL 111 -2.028 -5.509 6.497 598 3HG1 VAL 111 3HG1 VAL 111 -3.290 -6.572 5.837 599 1HG2 VAL 111 1HG2 VAL 111 -0.579 -8.743 4.174 600 2HG2 VAL 111 2HG2 VAL 111 -0.731 -8.820 5.933 601 3HG2 VAL 111 3HG2 VAL 111 -2.188 -8.889 4.919 602 H ALA 112 H ALA 112 -0.050 -4.441 3.166 603 HA ALA 112 HA ALA 112 1.518 -5.988 1.127 604 1HB ALA 112 1HB ALA 112 0.808 -3.039 0.986 605 2HB ALA 112 2HB ALA 112 1.554 -4.038 -0.268 606 3HB ALA 112 3HB ALA 112 -0.150 -4.280 0.186 607 H GLN 113 H GLN 113 3.671 -6.098 1.703 608 HA GLN 113 HA GLN 113 4.663 -4.154 3.734 609 1HB GLN 113 2HB GLN 113 6.171 -6.596 2.997 610 2HB GLN 113 3HB GLN 113 6.159 -5.768 4.501 611 1HG GLN 113 2HG GLN 113 3.724 -6.675 4.768 612 2HG GLN 113 3HG GLN 113 4.084 -7.683 3.376 613 1HE2 GLN 113 1HE2 GLN 113 6.813 -8.444 3.900 614 2HE2 GLN 113 2HE2 GLN 113 6.753 -9.474 5.311 615 H GLY 114 H GLY 114 6.470 -2.865 3.275 616 1HA GLY 114 1HA GLY 114 8.538 -3.613 1.604 617 2HA GLY 114 2HA GLY 114 7.457 -2.698 0.562 618 H VAL 115 H VAL 115 8.440 -0.730 0.313 619 HA VAL 115 HA VAL 115 9.459 0.625 2.750 620 HB VAL 115 HB VAL 115 11.314 -0.591 1.736 621 1HG1 VAL 115 1HG1 VAL 115 10.541 -0.677 -0.623 622 2HG1 VAL 115 2HG1 VAL 115 10.819 1.074 -0.773 623 3HG1 VAL 115 3HG1 VAL 115 12.179 -0.026 -0.489 624 1HG2 VAL 115 1HG2 VAL 115 11.850 1.491 2.843 625 2HG2 VAL 115 2HG2 VAL 115 12.917 1.218 1.470 626 3HG2 VAL 115 3HG2 VAL 115 11.609 2.400 1.336 627 H LEU 116 H LEU 116 9.458 2.805 2.725 628 HA LEU 116 HA LEU 116 7.514 4.056 1.045 629 1HB LEU 116 2HB LEU 116 9.726 5.087 2.830 630 2HB LEU 116 3HB LEU 116 9.073 6.213 1.640 631 HG LEU 116 HG LEU 116 8.012 6.470 3.799 632 1HD1 LEU 116 1HD1 LEU 116 5.595 6.269 2.972 633 2HD1 LEU 116 2HD1 LEU 116 6.715 7.210 1.970 634 3HD1 LEU 116 3HD1 LEU 116 6.215 5.592 1.487 635 1HD2 LEU 116 1HD2 LEU 116 8.136 4.213 4.661 636 2HD2 LEU 116 2HD2 LEU 116 6.462 4.786 4.698 637 3HD2 LEU 116 3HD2 LEU 116 6.977 3.633 3.453 638 H GLY 117 H GLY 117 7.526 4.948 -0.944 639 1HA GLY 117 1HA GLY 117 9.812 4.357 -2.690 640 2HA GLY 117 2HA GLY 117 8.224 5.013 -3.127 641 H GLU 118 H GLU 118 8.441 7.023 -3.951 642 HA GLU 118 HA GLU 118 10.810 8.551 -3.530 643 1HB GLU 118 2HB GLU 118 9.367 8.398 -5.603 644 2HB GLU 118 3HB GLU 118 8.222 9.513 -4.854 645 1HG GLU 118 2HG GLU 118 9.831 11.284 -4.804 646 2HG GLU 118 3HG GLU 118 11.184 10.179 -5.086 647 H ASP 119 H ASP 119 7.400 9.526 -2.854 648 HA ASP 119 HA ASP 119 7.896 10.121 -0.159 649 1HB ASP 119 2HB ASP 119 8.859 12.201 -1.732 650 2HB ASP 119 3HB ASP 119 7.197 12.728 -1.482 651 H GLY 120 H GLY 120 6.034 9.077 0.296 652 1HA GLY 120 1HA GLY 120 3.722 9.382 0.881 653 2HA GLY 120 2HA GLY 120 3.435 10.265 -0.617 654 H LYS 121 H LYS 121 5.023 8.252 -2.192 655 HA LYS 121 HA LYS 121 2.901 6.239 -2.581 656 1HB LYS 121 2HB LYS 121 5.219 7.319 -4.114 657 2HB LYS 121 3HB LYS 121 5.046 5.580 -4.245 658 1HG LYS 121 2HG LYS 121 3.857 6.617 -6.006 659 2HG LYS 121 3HG LYS 121 2.695 5.815 -4.918 660 1HD LYS 121 2HD LYS 121 1.801 7.864 -4.154 661 2HD LYS 121 3HD LYS 121 3.302 8.738 -4.444 662 1HE LYS 121 2HE LYS 121 1.570 9.463 -6.017 663 2HE LYS 121 3HE LYS 121 2.974 8.772 -6.836 664 1HZ LYS 121 1HZ LYS 121 0.916 8.003 -7.781 665 2HZ LYS 121 2HZ LYS 121 1.729 6.731 -7.139 666 3HZ LYS 121 3HZ LYS 121 0.433 7.364 -6.346 667 H LEU 122 H LEU 122 3.012 4.114 -1.960 668 HA LEU 122 HA LEU 122 5.356 3.301 -0.279 669 1HB LEU 122 2HB LEU 122 2.417 2.511 -0.359 670 2HB LEU 122 3HB LEU 122 3.627 1.523 0.453 671 HG LEU 122 HG LEU 122 2.338 2.982 1.966 672 1HD1 LEU 122 1HD1 LEU 122 5.343 3.421 1.864 673 2HD1 LEU 122 2HD1 LEU 122 4.318 3.863 3.224 674 3HD1 LEU 122 3HD1 LEU 122 4.458 2.157 2.732 675 1HD2 LEU 122 1HD2 LEU 122 2.184 4.984 0.454 676 2HD2 LEU 122 2HD2 LEU 122 2.665 5.345 2.121 677 3HD2 LEU 122 3HD2 LEU 122 3.882 5.343 0.846 678 H ALA 123 H ALA 123 6.787 1.939 -1.270 679 HA ALA 123 HA ALA 123 5.891 0.465 -3.704 680 1HB ALA 123 1HB ALA 123 7.926 1.822 -3.894 681 2HB ALA 123 2HB ALA 123 8.652 0.966 -2.517 682 3HB ALA 123 3HB ALA 123 8.298 0.091 -4.023 683 H ALA 124 H ALA 124 4.902 -1.442 -3.146 684 HA ALA 124 HA ALA 124 6.151 -3.105 -0.997 685 1HB ALA 124 1HB ALA 124 3.288 -2.091 -1.065 686 2HB ALA 124 2HB ALA 124 3.920 -3.294 0.075 687 3HB ALA 124 3HB ALA 124 4.541 -1.631 0.110 688 H THR 125 H THR 125 6.805 -4.655 -2.493 689 HA THR 125 HA THR 125 4.723 -5.922 -4.087 690 HB THR 125 HB THR 125 6.781 -5.426 -5.171 691 HG1 THR 125 1HG THR 125 5.561 -7.157 -5.982 692 1HG2 THR 125 1HG2 THR 125 8.387 -5.821 -3.313 693 2HG2 THR 125 2HG2 THR 125 8.028 -7.563 -3.388 694 3HG2 THR 125 3HG2 THR 125 8.788 -6.746 -4.768 695 H GLU 126 H GLU 126 5.926 -6.495 -0.861 696 HA GLU 126 HA GLU 126 5.379 -9.428 -1.025 697 1HB GLU 126 2HB GLU 126 6.069 -7.593 1.232 698 2HB GLU 126 3HB GLU 126 5.882 -9.343 1.401 699 1HG GLU 126 2HG GLU 126 7.917 -9.701 0.065 700 2HG GLU 126 3HG GLU 126 8.046 -7.964 -0.260 701 H VAL 127 H VAL 127 3.059 -9.197 -1.721 702 HA VAL 127 HA VAL 127 1.295 -8.011 0.377 703 HB VAL 127 HB VAL 127 -0.543 -8.186 -1.221 704 1HG1 VAL 127 1HG1 VAL 127 0.223 -6.104 -0.985 705 2HG1 VAL 127 2HG1 VAL 127 1.859 -6.423 -1.556 706 3HG1 VAL 127 3HG1 VAL 127 0.518 -6.280 -2.709 707 1HG2 VAL 127 1HG2 VAL 127 0.101 -8.410 -3.670 708 2HG2 VAL 127 2HG2 VAL 127 1.501 -9.332 -3.055 709 3HG2 VAL 127 3HG2 VAL 127 -0.133 -9.856 -2.685 710 H LEU 128 H LEU 128 0.025 -9.121 1.657 711 HA LEU 128 HA LEU 128 -0.208 -12.069 1.231 712 1HB LEU 128 2HB LEU 128 -0.253 -10.911 4.002 713 2HB LEU 128 3HB LEU 128 0.033 -12.540 3.450 714 HG LEU 128 HG LEU 128 2.016 -11.842 4.356 715 1HD1 LEU 128 1HD1 LEU 128 2.685 -11.262 1.469 716 2HD1 LEU 128 2HD1 LEU 128 3.678 -11.985 2.724 717 3HD1 LEU 128 3HD1 LEU 128 2.298 -12.895 2.067 718 1HD2 LEU 128 1HD2 LEU 128 3.251 -9.825 3.896 719 2HD2 LEU 128 2HD2 LEU 128 1.981 -9.210 2.835 720 3HD2 LEU 128 3HD2 LEU 128 1.657 -9.455 4.565 721 H ALA 129 H ALA 129 -2.260 -12.827 1.328 722 HA ALA 129 HA ALA 129 -4.497 -10.978 2.086 723 1HB ALA 129 1HB ALA 129 -5.791 -12.166 0.356 724 2HB ALA 129 2HB ALA 129 -4.396 -11.306 -0.331 725 3HB ALA 129 3HB ALA 129 -4.339 -13.071 -0.121 726 H LYS 130 H LYS 130 -4.371 -11.807 4.265 727 HA LYS 130 HA LYS 130 -5.220 -14.662 4.590 728 1HB LYS 130 2HB LYS 130 -4.465 -14.552 6.802 729 2HB LYS 130 3HB LYS 130 -3.160 -14.003 5.761 730 1HG LYS 130 2HG LYS 130 -4.811 -11.745 6.774 731 2HG LYS 130 3HG LYS 130 -4.202 -12.791 8.052 732 1HD LYS 130 2HD LYS 130 -1.864 -12.478 7.074 733 2HD LYS 130 3HD LYS 130 -2.572 -11.382 5.882 734 1HE LYS 130 2HE LYS 130 -1.626 -10.062 7.703 735 2HE LYS 130 3HE LYS 130 -3.387 -9.889 7.708 736 1HZ LYS 130 1HZ LYS 130 -2.479 -10.223 9.905 737 2HZ LYS 130 2HZ LYS 130 -3.469 -11.469 9.513 738 3HZ LYS 130 3HZ LYS 130 -1.837 -11.674 9.474 739 H HIS 131 H HID 131 -7.262 -13.320 3.519 740 HA HIS 131 HA HID 131 -9.140 -12.877 5.701 741 1HB HIS 131 2HB HID 131 -8.704 -10.823 3.482 742 2HB HIS 131 3HB HID 131 -9.963 -10.776 4.712 743 HD1 HIS 131 1HD HID 131 -6.340 -9.968 4.177 744 HD2 HIS 131 2HD HID 131 -9.266 -9.833 7.154 745 HE1 HIS 131 1HE HID 131 -5.355 -8.576 6.074 746 H ASP 132 H ASP 132 -11.309 -12.975 4.800 747 HA ASP 132 HA ASP 132 -11.488 -14.742 2.415 748 1HB ASP 132 2HB ASP 132 -12.889 -14.858 5.129 749 2HB ASP 132 3HB ASP 132 -13.344 -15.836 3.728 Start of MODEL 23 1 H SER 32 H SER 32 16.326 -3.087 14.540 2 HA SER 32 HA SER 32 14.869 -0.652 14.931 3 1HB SER 32 2HB SER 32 16.179 0.003 12.911 4 2HB SER 32 3HB SER 32 15.557 -1.427 12.058 5 HG SER 32 HG SER 32 14.367 0.577 11.700 6 H ASN 33 H ASN 33 12.783 -1.021 13.404 7 HA ASN 33 HA ASN 33 11.584 -3.461 14.517 8 1HB ASN 33 2HB ASN 33 10.456 -1.140 12.906 9 2HB ASN 33 3HB ASN 33 9.516 -2.583 13.315 10 1HD2 ASN 33 1HD2 ASN 33 8.140 -0.804 14.342 11 2HD2 ASN 33 2HD2 ASN 33 8.525 -0.439 16.017 12 H LEU 34 H LEU 34 12.062 -5.322 13.451 13 HA LEU 34 HA LEU 34 12.826 -5.730 10.830 14 1HB LEU 34 2HB LEU 34 11.266 -7.440 12.791 15 2HB LEU 34 3HB LEU 34 11.471 -7.979 11.123 16 HG LEU 34 HG LEU 34 13.915 -7.823 11.301 17 1HD1 LEU 34 1HD1 LEU 34 14.210 -6.146 13.067 18 2HD1 LEU 34 2HD1 LEU 34 13.387 -7.200 14.243 19 3HD1 LEU 34 3HD1 LEU 34 14.958 -7.666 13.561 20 1HD2 LEU 34 1HD2 LEU 34 12.588 -9.537 13.445 21 2HD2 LEU 34 2HD2 LEU 34 12.711 -9.940 11.718 22 3HD2 LEU 34 3HD2 LEU 34 14.178 -9.826 12.704 23 H ASN 35 H ASN 35 9.414 -5.622 12.018 24 HA ASN 35 HA ASN 35 8.554 -4.468 9.576 25 1HB ASN 35 2HB ASN 35 7.162 -6.085 8.653 26 2HB ASN 35 3HB ASN 35 8.628 -7.003 9.005 27 1HD2 ASN 35 1HD2 ASN 35 8.420 -7.777 11.616 28 2HD2 ASN 35 2HD2 ASN 35 6.963 -8.713 11.850 29 H LEU 36 H LEU 36 6.179 -3.892 9.755 30 HA LEU 36 HA LEU 36 4.885 -4.257 12.308 31 1HB LEU 36 2HB LEU 36 4.752 -1.931 12.936 32 2HB LEU 36 3HB LEU 36 6.439 -2.403 12.807 33 HG LEU 36 HG LEU 36 6.046 -1.413 10.276 34 1HD1 LEU 36 1HD1 LEU 36 4.349 0.311 12.138 35 2HD1 LEU 36 2HD1 LEU 36 4.731 0.668 10.446 36 3HD1 LEU 36 3HD1 LEU 36 3.682 -0.702 10.842 37 1HD2 LEU 36 1HD2 LEU 36 7.115 0.659 11.076 38 2HD2 LEU 36 2HD2 LEU 36 6.769 0.196 12.753 39 3HD2 LEU 36 3HD2 LEU 36 7.878 -0.785 11.763 40 H PHE 37 H PHE 37 2.654 -3.805 12.101 41 HA PHE 37 HA PHE 37 1.659 -3.470 9.305 42 1HB PHE 37 2HB PHE 37 0.478 -4.854 11.742 43 2HB PHE 37 3HB PHE 37 -0.417 -4.508 10.280 44 HD1 PHE 37 1HD PHE 37 2.498 -6.471 11.593 45 HD2 PHE 37 2HD PHE 37 -0.310 -5.939 8.363 46 HE1 PHE 37 1HE PHE 37 3.204 -8.633 10.623 47 HE2 PHE 37 2HE PHE 37 0.440 -8.076 7.373 48 HZ PHE 37 HZ PHE 37 2.199 -9.433 8.490 49 H TYR 38 H TYR 38 1.021 -1.429 8.931 50 HA TYR 38 HA TYR 38 -0.283 0.101 11.144 51 1HB TYR 38 2HB TYR 38 2.062 0.666 9.469 52 2HB TYR 38 3HB TYR 38 0.788 1.822 9.145 53 HD1 TYR 38 HD1 TYR 38 1.534 3.798 10.110 54 HD2 TYR 38 HD2 TYR 38 1.709 0.175 12.440 55 HE1 TYR 38 HE1 TYR 38 1.828 5.118 12.137 56 HE2 TYR 38 HE2 TYR 38 2.092 1.521 14.482 57 HH TYR 38 HH TYR 38 1.511 4.923 14.538 58 H THR 39 H THR 39 -1.937 1.557 10.603 59 HA THR 39 HA THR 39 -3.665 0.550 8.540 60 HB THR 39 HB THR 39 -5.074 2.501 9.710 61 HG1 THR 39 1HG THR 39 -3.206 3.361 10.763 62 1HG2 THR 39 1HG2 THR 39 -5.503 0.084 9.988 63 2HG2 THR 39 2HG2 THR 39 -4.190 -0.015 11.186 64 3HG2 THR 39 3HG2 THR 39 -5.642 0.952 11.528 65 HA PRO 40 HA PRO 40 -2.571 3.503 5.409 66 1HB PRO 40 2HB PRO 40 -4.995 3.870 4.120 67 2HB PRO 40 3HB PRO 40 -3.841 2.534 3.868 68 1HG PRO 40 2HG PRO 40 -6.290 2.552 5.618 69 2HG PRO 40 3HG PRO 40 -5.724 1.276 4.513 70 1HD PRO 40 2HD PRO 40 -5.310 1.121 7.166 71 2HD PRO 40 3HD PRO 40 -4.026 0.605 6.022 72 H SER 41 H SER 41 -5.550 4.250 7.407 73 HA SER 41 HA SER 41 -5.540 7.027 6.802 74 1HB SER 41 2HB SER 41 -7.404 5.968 7.894 75 2HB SER 41 3HB SER 41 -6.431 5.596 9.336 76 HG SER 41 HG SER 41 -7.689 7.559 9.514 77 H GLU 42 H GLU 42 -3.817 5.272 9.460 78 HA GLU 42 HA GLU 42 -2.888 7.649 10.688 79 1HB GLU 42 2HB GLU 42 -2.769 5.438 11.782 80 2HB GLU 42 3HB GLU 42 -1.432 4.963 10.708 81 1HG GLU 42 2HG GLU 42 -0.036 6.760 11.577 82 2HG GLU 42 3HG GLU 42 -1.394 7.474 12.460 83 H ILE 43 H ILE 43 -1.586 5.751 7.964 84 HA ILE 43 HA ILE 43 0.710 7.488 7.822 85 HB ILE 43 HB ILE 43 1.490 6.260 5.967 86 1HG1 ILE 43 2HG1 ILE 43 -0.957 4.527 6.330 87 2HG1 ILE 43 3HG1 ILE 43 -0.671 5.597 4.941 88 1HG2 ILE 43 1HG2 ILE 43 1.916 5.646 8.355 89 2HG2 ILE 43 2HG2 ILE 43 0.577 4.476 8.232 90 3HG2 ILE 43 3HG2 ILE 43 2.044 4.286 7.244 91 1HD1 ILE 43 1HD1 ILE 43 0.818 3.065 5.728 92 2HD1 ILE 43 2HD1 ILE 43 0.042 3.466 4.186 93 3HD1 ILE 43 3HD1 ILE 43 1.547 4.277 4.649 94 H VAL 44 H VAL 44 -2.447 8.046 6.762 95 HA VAL 44 HA VAL 44 -1.666 9.441 4.315 96 HB VAL 44 HB VAL 44 -3.946 8.217 4.844 97 1HG1 VAL 44 1HG1 VAL 44 -4.616 9.781 6.740 98 2HG1 VAL 44 2HG1 VAL 44 -4.706 11.092 5.564 99 3HG1 VAL 44 3HG1 VAL 44 -5.773 9.692 5.420 100 1HG2 VAL 44 1HG2 VAL 44 -5.010 9.616 3.107 101 2HG2 VAL 44 2HG2 VAL 44 -3.746 10.837 3.302 102 3HG2 VAL 44 3HG2 VAL 44 -3.329 9.222 2.698 103 H ASN 45 H ASN 45 -1.809 10.194 7.677 104 HA ASN 45 HA ASN 45 -1.979 13.135 7.126 105 1HB ASN 45 2HB ASN 45 -2.175 11.561 9.719 106 2HB ASN 45 3HB ASN 45 -2.169 13.333 9.583 107 1HD2 ASN 45 1HD2 ASN 45 -4.147 10.423 8.875 108 2HD2 ASN 45 2HD2 ASN 45 -5.600 11.372 8.651 109 H GLY 46 H GLY 46 -0.296 12.742 9.921 110 1HA GLY 46 1HA GLY 46 2.037 13.982 8.662 111 2HA GLY 46 2HA GLY 46 1.692 13.821 10.389 112 H LYS 47 H LYS 47 2.258 11.678 7.613 113 HA LYS 47 HA LYS 47 4.344 10.108 8.932 114 1HB LYS 47 2HB LYS 47 1.518 9.303 8.421 115 2HB LYS 47 3HB LYS 47 2.772 8.056 8.148 116 1HG LYS 47 2HG LYS 47 2.918 9.511 10.722 117 2HG LYS 47 3HG LYS 47 1.542 8.437 10.513 118 1HD LYS 47 2HD LYS 47 2.797 6.532 10.407 119 2HD LYS 47 3HD LYS 47 4.223 7.315 9.701 120 1HE LYS 47 2HE LYS 47 4.955 8.213 11.724 121 2HE LYS 47 3HE LYS 47 3.355 8.103 12.461 122 1HZ LYS 47 1HZ LYS 47 3.644 5.743 12.676 123 2HZ LYS 47 2HZ LYS 47 5.039 5.751 11.801 124 3HZ LYS 47 3HZ LYS 47 4.987 6.440 13.290 125 H THR 48 H THR 48 2.451 8.735 6.295 126 HA THR 48 HA THR 48 4.873 8.764 4.692 127 HB THR 48 HB THR 48 2.095 7.590 4.292 128 HG1 THR 48 1HG THR 48 3.406 5.671 4.563 129 1HG2 THR 48 1HG2 THR 48 2.984 8.126 2.098 130 2HG2 THR 48 2HG2 THR 48 4.510 7.313 2.500 131 3HG2 THR 48 3HG2 THR 48 2.961 6.404 2.392 132 H ASP 49 H ASP 49 1.465 9.907 4.211 133 HA ASP 49 HA ASP 49 1.928 10.907 1.643 134 1HB ASP 49 2HB ASP 49 -0.310 10.587 2.647 135 2HB ASP 49 3HB ASP 49 -0.038 12.025 3.661 136 H THR 50 H THR 50 1.971 12.702 4.728 137 HA THR 50 HA THR 50 3.075 15.094 3.572 138 HB THR 50 HB THR 50 3.338 14.323 6.488 139 HG1 THR 50 1HG THR 50 1.173 13.962 5.980 140 1HG2 THR 50 1HG2 THR 50 2.770 16.974 5.079 141 2HG2 THR 50 2HG2 THR 50 3.036 16.745 6.818 142 3HG2 THR 50 3HG2 THR 50 4.366 16.490 5.672 143 H GLY 51 H GLY 51 4.542 12.129 4.951 144 1HA GLY 51 1HA GLY 51 6.634 11.289 4.693 145 2HA GLY 51 2HA GLY 51 6.995 12.613 3.585 146 H VAL 52 H VAL 52 6.096 12.589 7.066 147 HA VAL 52 HA VAL 52 8.563 14.267 7.572 148 HB VAL 52 HB VAL 52 7.308 15.325 9.407 149 1HG1 VAL 52 1HG1 VAL 52 6.262 15.624 6.570 150 2HG1 VAL 52 2HG1 VAL 52 6.054 16.820 7.869 151 3HG1 VAL 52 3HG1 VAL 52 7.674 16.424 7.277 152 1HG2 VAL 52 1HG2 VAL 52 4.871 13.982 8.152 153 2HG2 VAL 52 2HG2 VAL 52 5.479 13.734 9.802 154 3HG2 VAL 52 3HG2 VAL 52 4.837 15.307 9.325 155 H LYS 53 H LYS 53 6.495 11.873 9.265 156 HA LYS 53 HA LYS 53 8.578 11.590 11.321 157 1HB LYS 53 2HB LYS 53 5.784 10.591 10.961 158 2HB LYS 53 3HB LYS 53 6.877 9.675 12.009 159 1HG LYS 53 2HG LYS 53 6.868 11.209 13.645 160 2HG LYS 53 3HG LYS 53 7.027 12.576 12.539 161 1HD LYS 53 2HD LYS 53 4.789 12.766 12.103 162 2HD LYS 53 3HD LYS 53 4.349 11.175 12.735 163 1HE LYS 53 2HE LYS 53 5.447 13.429 14.488 164 2HE LYS 53 3HE LYS 53 3.730 13.284 14.091 165 1HZ LYS 53 1HZ LYS 53 4.216 12.248 16.171 166 2HZ LYS 53 2HZ LYS 53 3.680 11.135 15.093 167 3HZ LYS 53 3HZ LYS 53 5.283 11.208 15.476 168 HA PRO 54 HA PRO 54 9.580 7.473 9.333 169 1HB PRO 54 2HB PRO 54 8.275 6.406 7.210 170 2HB PRO 54 3HB PRO 54 7.556 6.334 8.849 171 1HG PRO 54 2HG PRO 54 7.002 8.365 6.662 172 2HG PRO 54 3HG PRO 54 5.803 7.419 7.584 173 1HD PRO 54 2HD PRO 54 6.556 9.974 8.246 174 2HD PRO 54 3HD PRO 54 6.115 8.774 9.508 175 H GLU 55 H GLU 55 10.897 6.878 7.413 176 HA GLU 55 HA GLU 55 11.568 9.223 5.712 177 1HB GLU 55 2HB GLU 55 13.128 7.146 7.087 178 2HB GLU 55 3HB GLU 55 13.488 7.154 5.357 179 1HG GLU 55 2HG GLU 55 13.535 9.639 7.113 180 2HG GLU 55 3HG GLU 55 14.945 8.635 6.747 181 H ALA 56 H ALA 56 12.085 8.786 3.482 182 HA ALA 56 HA ALA 56 10.035 7.075 2.190 183 1HB ALA 56 1HB ALA 56 10.683 8.160 0.127 184 2HB ALA 56 2HB ALA 56 10.423 9.389 1.394 185 3HB ALA 56 3HB ALA 56 12.086 8.885 0.972 186 H GLY 57 H GLY 57 12.559 6.099 3.560 187 1HA GLY 57 1HA GLY 57 13.156 3.990 1.537 188 2HA GLY 57 2HA GLY 57 14.514 4.809 2.332 189 H GLN 58 H GLN 58 11.414 4.121 3.928 190 HA GLN 58 HA GLN 58 12.757 2.099 5.688 191 1HB GLN 58 2HB GLN 58 10.421 3.975 6.172 192 2HB GLN 58 3HB GLN 58 10.755 2.558 7.187 193 1HG GLN 58 2HG GLN 58 13.091 3.421 7.568 194 2HG GLN 58 3HG GLN 58 12.619 4.917 6.753 195 1HE2 GLN 58 1HE2 GLN 58 9.825 4.836 7.924 196 2HE2 GLN 58 2HE2 GLN 58 10.062 5.242 9.621 197 H ARG 59 H ARG 59 11.516 0.279 6.269 198 HA ARG 59 HA ARG 59 9.609 -0.611 4.179 199 1HB ARG 59 2HB ARG 59 11.560 -1.972 4.182 200 2HB ARG 59 3HB ARG 59 11.612 -2.082 5.944 201 1HG ARG 59 2HG ARG 59 9.113 -3.134 4.686 202 2HG ARG 59 3HG ARG 59 10.589 -3.996 4.262 203 1HD ARG 59 2HD ARG 59 11.113 -4.400 6.590 204 2HD ARG 59 3HD ARG 59 9.735 -3.452 7.144 205 HE ARG 59 HE ARG 59 8.278 -5.042 5.850 206 1HH1 ARG 59 2HH2 ARG 59 11.047 -6.210 7.666 207 2HH1 ARG 59 1HH2 ARG 59 11.007 -7.835 7.041 208 1HH2 ARG 59 1HH1 ARG 59 7.922 -7.285 5.364 209 2HH2 ARG 59 2HH1 ARG 59 9.006 -8.487 5.966 210 H ILE 60 H ILE 60 7.535 -0.954 4.825 211 HA ILE 60 HA ILE 60 7.002 -1.808 7.556 212 HB ILE 60 HB ILE 60 5.499 -0.256 8.292 213 1HG1 ILE 60 2HG1 ILE 60 4.086 0.175 6.410 214 2HG1 ILE 60 3HG1 ILE 60 4.571 1.663 7.195 215 1HG2 ILE 60 1HG2 ILE 60 7.684 1.476 7.088 216 2HG2 ILE 60 2HG2 ILE 60 6.591 1.924 8.406 217 3HG2 ILE 60 3HG2 ILE 60 7.731 0.596 8.631 218 1HD1 ILE 60 1HD1 ILE 60 4.590 1.911 4.791 219 2HD1 ILE 60 2HD1 ILE 60 6.231 2.092 5.441 220 3HD1 ILE 60 3HD1 ILE 60 5.756 0.587 4.606 221 H ARG 61 H ARG 61 4.424 -2.260 7.696 222 HA ARG 61 HA ARG 61 3.534 -3.082 4.983 223 1HB ARG 61 2HB ARG 61 2.457 -4.243 7.546 224 2HB ARG 61 3HB ARG 61 2.281 -4.803 5.889 225 1HG ARG 61 2HG ARG 61 4.840 -5.142 5.958 226 2HG ARG 61 3HG ARG 61 4.738 -4.919 7.706 227 1HD ARG 61 2HD ARG 61 3.063 -6.587 7.916 228 2HD ARG 61 3HD ARG 61 3.006 -6.935 6.195 229 HE ARG 61 HE ARG 61 5.147 -7.579 8.206 230 1HH1 ARG 61 2HH2 ARG 61 3.652 -8.385 5.061 231 2HH1 ARG 61 1HH2 ARG 61 4.384 -9.950 4.983 232 1HH2 ARG 61 1HH1 ARG 61 6.150 -9.581 8.042 233 2HH2 ARG 61 2HH1 ARG 61 5.913 -10.605 6.656 234 H VAL 62 H VAL 62 1.619 -2.277 4.298 235 HA VAL 62 HA VAL 62 0.089 -0.455 6.094 236 HB VAL 62 HB VAL 62 0.976 0.794 4.278 237 1HG1 VAL 62 1HG1 VAL 62 -0.443 -1.014 2.299 238 2HG1 VAL 62 2HG1 VAL 62 0.549 0.406 1.951 239 3HG1 VAL 62 3HG1 VAL 62 1.318 -1.049 2.592 240 1HG2 VAL 62 1HG2 VAL 62 -1.988 0.205 3.829 241 2HG2 VAL 62 2HG2 VAL 62 -1.313 1.311 5.043 242 3HG2 VAL 62 3HG2 VAL 62 -1.122 1.655 3.310 243 H GLY 63 H GLY 63 -1.763 -1.396 6.799 244 1HA GLY 63 1HA GLY 63 -3.072 -3.520 5.144 245 2HA GLY 63 2HA GLY 63 -2.733 -3.726 6.880 246 H GLY 64 H GLY 64 -5.204 -3.133 4.819 247 1HA GLY 64 1HA GLY 64 -6.829 -1.742 6.783 248 2HA GLY 64 2HA GLY 64 -6.335 -0.660 5.468 249 H MET 65 H MET 65 -8.149 -0.477 4.132 250 HA MET 65 HA MET 65 -9.231 -3.017 3.053 251 1HB MET 65 2HB MET 65 -11.482 -2.087 2.998 252 2HB MET 65 3HB MET 65 -10.872 -2.469 4.597 253 1HG MET 65 2HG MET 65 -10.220 0.266 4.254 254 2HG MET 65 3HG MET 65 -11.793 0.071 3.504 255 1HE MET 65 1HE MET 65 -10.311 -1.856 6.706 256 2HE MET 65 2HE MET 65 -9.675 -0.198 6.785 257 3HE MET 65 3HE MET 65 -10.882 -0.745 7.965 258 H VAL 66 H VAL 66 -9.342 -3.137 0.939 259 HA VAL 66 HA VAL 66 -8.552 -0.718 -0.620 260 HB VAL 66 HB VAL 66 -8.873 -3.583 -1.569 261 1HG1 VAL 66 1HG1 VAL 66 -8.824 -1.650 -3.285 262 2HG1 VAL 66 2HG1 VAL 66 -7.187 -1.313 -2.710 263 3HG1 VAL 66 3HG1 VAL 66 -7.602 -2.884 -3.445 264 1HG2 VAL 66 1HG2 VAL 66 -6.419 -2.151 -0.457 265 2HG2 VAL 66 2HG2 VAL 66 -7.162 -3.644 0.159 266 3HG2 VAL 66 3HG2 VAL 66 -6.363 -3.637 -1.417 267 H THR 67 H THR 67 -9.919 0.133 -2.220 268 HA THR 67 HA THR 67 -12.739 -0.360 -1.935 269 HB THR 67 HB THR 67 -11.344 1.815 -2.673 270 HG1 THR 67 1HG THR 67 -13.546 1.816 -2.320 271 1HG2 THR 67 1HG2 THR 67 -10.467 0.850 -4.783 272 2HG2 THR 67 2HG2 THR 67 -12.142 0.809 -5.406 273 3HG2 THR 67 3HG2 THR 67 -11.423 2.341 -4.936 274 H VAL 68 H VAL 68 -13.847 -0.566 -4.246 275 HA VAL 68 HA VAL 68 -12.833 -3.114 -5.448 276 HB VAL 68 HB VAL 68 -14.847 -3.409 -4.104 277 1HG1 VAL 68 1HG1 VAL 68 -15.847 -1.098 -4.934 278 2HG1 VAL 68 2HG1 VAL 68 -16.546 -2.113 -6.209 279 3HG1 VAL 68 3HG1 VAL 68 -16.894 -2.469 -4.510 280 1HG2 VAL 68 1HG2 VAL 68 -15.112 -3.926 -7.092 281 2HG2 VAL 68 2HG2 VAL 68 -14.173 -4.890 -5.949 282 3HG2 VAL 68 3HG2 VAL 68 -15.944 -4.819 -5.796 283 H GLY 69 H GLY 69 -11.599 -1.448 -6.429 284 1HA GLY 69 1HA GLY 69 -11.409 -1.400 -9.005 285 2HA GLY 69 2HA GLY 69 -12.831 -0.356 -8.963 286 H SER 70 H SER 70 -9.561 -0.499 -7.398 287 HA SER 70 HA SER 70 -9.026 2.015 -8.897 288 1HB SER 70 2HB SER 70 -8.308 1.642 -5.959 289 2HB SER 70 3HB SER 70 -7.734 2.958 -7.011 290 HG SER 70 HG SER 70 -10.356 2.739 -7.317 291 H MET 71 H MET 71 -8.275 -1.112 -8.794 292 HA MET 71 HA MET 71 -5.369 -0.826 -8.724 293 1HB MET 71 2HB MET 71 -6.689 -2.905 -7.981 294 2HB MET 71 3HB MET 71 -6.958 -3.212 -9.693 295 1HG MET 71 2HG MET 71 -4.187 -2.700 -9.555 296 2HG MET 71 3HG MET 71 -4.524 -3.506 -8.031 297 1HE MET 71 1HE MET 71 -4.936 -5.263 -12.238 298 2HE MET 71 2HE MET 71 -5.951 -3.898 -11.710 299 3HE MET 71 3HE MET 71 -4.182 -3.702 -11.811 300 H VAL 72 H VAL 72 -4.312 -0.007 -10.472 301 HA VAL 72 HA VAL 72 -5.451 -0.457 -13.195 302 HB VAL 72 HB VAL 72 -4.636 1.723 -13.908 303 1HG1 VAL 72 1HG1 VAL 72 -6.551 1.964 -11.546 304 2HG1 VAL 72 2HG1 VAL 72 -6.402 3.077 -12.917 305 3HG1 VAL 72 3HG1 VAL 72 -6.996 1.429 -13.181 306 1HG2 VAL 72 1HG2 VAL 72 -4.080 3.480 -12.245 307 2HG2 VAL 72 2HG2 VAL 72 -4.023 2.246 -10.974 308 3HG2 VAL 72 3HG2 VAL 72 -2.875 2.194 -12.345 309 H ARG 73 H ARG 73 -3.813 -0.648 -14.853 310 HA ARG 73 HA ARG 73 -1.215 -1.556 -13.838 311 1HB ARG 73 2HB ARG 73 -1.551 -3.745 -15.041 312 2HB ARG 73 3HB ARG 73 -2.617 -3.518 -13.641 313 1HG ARG 73 2HG ARG 73 -4.464 -2.854 -15.184 314 2HG ARG 73 3HG ARG 73 -3.412 -3.192 -16.571 315 1HD ARG 73 2HD ARG 73 -3.290 -5.566 -15.954 316 2HD ARG 73 3HD ARG 73 -4.023 -5.235 -14.400 317 HE ARG 73 HE ARG 73 -6.120 -5.102 -15.253 318 1HH1 ARG 73 2HH2 ARG 73 -3.839 -5.316 -17.931 319 2HH1 ARG 73 1HH2 ARG 73 -5.039 -5.617 -19.149 320 1HH2 ARG 73 1HH1 ARG 73 -7.752 -5.391 -16.842 321 2HH2 ARG 73 2HH1 ARG 73 -7.332 -5.625 -18.507 322 H ASP 74 H ASP 74 0.428 -1.566 -15.487 323 HA ASP 74 HA ASP 74 -0.353 0.056 -17.850 324 1HB ASP 74 2HB ASP 74 2.031 -0.178 -16.099 325 2HB ASP 74 3HB ASP 74 2.390 -0.052 -17.828 326 HA PRO 75 HA PRO 75 0.265 -3.426 -20.455 327 1HB PRO 75 2HB PRO 75 0.754 -2.309 -22.899 328 2HB PRO 75 3HB PRO 75 -0.752 -1.947 -22.014 329 1HG PRO 75 2HG PRO 75 1.801 -0.302 -22.027 330 2HG PRO 75 3HG PRO 75 0.145 0.264 -22.393 331 1HD PRO 75 2HD PRO 75 1.274 0.494 -19.903 332 2HD PRO 75 3HD PRO 75 -0.476 0.178 -20.116 333 H ASN 76 H ASN 76 2.588 -2.676 -18.853 334 HA ASN 76 HA ASN 76 4.755 -3.910 -20.482 335 1HB ASN 76 2HB ASN 76 4.789 -2.747 -17.666 336 2HB ASN 76 3HB ASN 76 6.170 -3.403 -18.568 337 1HD2 ASN 76 1HD2 ASN 76 4.396 -0.530 -17.870 338 2HD2 ASN 76 2HD2 ASN 76 5.121 0.459 -19.113 339 H SER 77 H SER 77 2.104 -4.524 -18.318 340 HA SER 77 HA SER 77 1.305 -6.375 -17.362 341 1HB SER 77 2HB SER 77 3.549 -7.967 -18.673 342 2HB SER 77 3HB SER 77 2.048 -8.590 -18.000 343 HG SER 77 HG SER 77 0.921 -7.335 -19.580 344 H LEU 78 H LEU 78 3.920 -4.916 -16.410 345 HA LEU 78 HA LEU 78 4.446 -6.537 -13.939 346 1HB LEU 78 2HB LEU 78 6.715 -5.773 -13.973 347 2HB LEU 78 3HB LEU 78 6.247 -6.902 -15.232 348 HG LEU 78 HG LEU 78 5.850 -4.496 -16.550 349 1HD1 LEU 78 1HD1 LEU 78 6.720 -3.287 -14.603 350 2HD1 LEU 78 2HD1 LEU 78 8.277 -4.116 -14.797 351 3HD1 LEU 78 3HD1 LEU 78 7.677 -3.036 -16.087 352 1HD2 LEU 78 1HD2 LEU 78 6.939 -6.506 -17.366 353 2HD2 LEU 78 2HD2 LEU 78 7.865 -5.041 -17.748 354 3HD2 LEU 78 3HD2 LEU 78 8.393 -6.116 -16.417 355 H HIS 79 H HID 79 3.807 -3.268 -15.322 356 HA HIS 79 HA HID 79 4.392 -2.054 -12.689 357 1HB HIS 79 2HB HID 79 3.967 -1.038 -15.496 358 2HB HIS 79 3HB HID 79 3.643 0.019 -14.115 359 HD1 HIS 79 1HD HID 79 5.899 0.003 -12.268 360 HD2 HIS 79 2HD HID 79 6.395 -0.783 -16.375 361 HE1 HIS 79 1HE HID 79 8.343 0.491 -12.816 362 H VAL 80 H VAL 80 2.788 -1.749 -11.273 363 HA VAL 80 HA VAL 80 0.014 -1.470 -12.169 364 HB VAL 80 HB VAL 80 -0.725 -3.335 -10.672 365 1HG1 VAL 80 1HG1 VAL 80 -0.391 -3.658 -13.163 366 2HG1 VAL 80 2HG1 VAL 80 1.124 -4.484 -12.780 367 3HG1 VAL 80 3HG1 VAL 80 -0.414 -5.127 -12.177 368 1HG2 VAL 80 1HG2 VAL 80 1.002 -3.808 -9.192 369 2HG2 VAL 80 2HG2 VAL 80 1.107 -5.159 -10.324 370 3HG2 VAL 80 3HG2 VAL 80 2.260 -3.851 -10.464 371 H GLN 81 H GLN 81 -1.356 -0.589 -10.561 372 HA GLN 81 HA GLN 81 -0.174 -0.057 -7.909 373 1HB GLN 81 2HB GLN 81 -0.512 2.439 -8.150 374 2HB GLN 81 3HB GLN 81 0.874 1.785 -9.034 375 1HG GLN 81 2HG GLN 81 -0.057 2.074 -11.112 376 2HG GLN 81 3HG GLN 81 -1.708 1.914 -10.509 377 1HE2 GLN 81 1HE2 GLN 81 -2.758 3.703 -9.465 378 2HE2 GLN 81 2HE2 GLN 81 -2.175 5.329 -9.770 379 H PHE 82 H PHE 82 -1.677 1.059 -6.431 380 HA PHE 82 HA PHE 82 -4.529 1.043 -7.188 381 1HB PHE 82 2HB PHE 82 -5.058 -0.650 -5.430 382 2HB PHE 82 3HB PHE 82 -4.242 -1.295 -6.838 383 HD1 PHE 82 1HD PHE 82 -2.272 -2.605 -6.625 384 HD2 PHE 82 2HD PHE 82 -3.632 -0.197 -3.318 385 HE1 PHE 82 1HE PHE 82 -0.911 -3.961 -5.076 386 HE2 PHE 82 2HE PHE 82 -2.249 -1.559 -1.769 387 HZ PHE 82 HZ PHE 82 -1.039 -3.529 -2.613 388 H ALA 83 H ALA 83 -5.919 1.730 -5.358 389 HA ALA 83 HA ALA 83 -4.462 3.497 -3.450 390 1HB ALA 83 1HB ALA 83 -7.273 3.766 -4.582 391 2HB ALA 83 2HB ALA 83 -6.499 4.841 -3.402 392 3HB ALA 83 3HB ALA 83 -5.863 4.742 -5.055 393 H VAL 84 H VAL 84 -4.847 3.163 -1.325 394 HA VAL 84 HA VAL 84 -6.772 1.008 -0.516 395 HB VAL 84 HB VAL 84 -4.170 1.827 0.843 396 1HG1 VAL 84 1HG1 VAL 84 -6.012 -0.568 1.270 397 2HG1 VAL 84 2HG1 VAL 84 -4.486 -0.255 2.124 398 3HG1 VAL 84 3HG1 VAL 84 -5.864 0.830 2.344 399 1HG2 VAL 84 1HG2 VAL 84 -4.726 -0.497 -1.037 400 2HG2 VAL 84 2HG2 VAL 84 -3.529 0.809 -1.237 401 3HG2 VAL 84 3HG2 VAL 84 -3.315 -0.393 0.041 402 H HIS 85 H HID 85 -8.080 1.517 1.333 403 HA HIS 85 HA HID 85 -7.856 4.277 2.365 404 1HB HIS 85 2HB HID 85 -10.281 4.573 2.255 405 2HB HIS 85 3HB HID 85 -9.638 4.289 0.644 406 HD1 HIS 85 1HD HID 85 -12.415 3.306 2.773 407 HD2 HIS 85 2HD HID 85 -9.933 1.494 -0.082 408 HE1 HIS 85 1HE HID 85 -13.744 1.351 1.789 409 H ASP 86 H ASP 86 -9.638 4.400 4.339 410 HA ASP 86 HA ASP 86 -9.130 1.942 5.921 411 1HB ASP 86 2HB ASP 86 -7.688 4.217 6.232 412 2HB ASP 86 3HB ASP 86 -9.109 4.685 7.175 413 H SER 87 H SER 87 -10.361 2.114 7.930 414 HA SER 87 HA SER 87 -13.230 2.449 7.769 415 1HB SER 87 2HB SER 87 -12.975 2.453 10.277 416 2HB SER 87 3HB SER 87 -12.185 1.070 9.502 417 HG SER 87 HG SER 87 -10.153 2.281 9.685 418 H LEU 88 H LEU 88 -10.520 4.340 8.988 419 HA LEU 88 HA LEU 88 -12.060 6.713 9.515 420 1HB LEU 88 2HB LEU 88 -9.117 6.006 9.500 421 2HB LEU 88 3HB LEU 88 -9.640 7.635 9.945 422 HG LEU 88 HG LEU 88 -10.904 5.346 11.421 423 1HD1 LEU 88 1HD1 LEU 88 -8.993 5.330 13.013 424 2HD1 LEU 88 2HD1 LEU 88 -8.545 4.700 11.418 425 3HD1 LEU 88 3HD1 LEU 88 -8.060 6.345 11.891 426 1HD2 LEU 88 1HD2 LEU 88 -9.867 8.107 12.239 427 2HD2 LEU 88 2HD2 LEU 88 -11.547 7.747 11.787 428 3HD2 LEU 88 3HD2 LEU 88 -10.839 7.010 13.239 429 H GLY 89 H GLY 89 -12.201 5.893 6.687 430 1HA GLY 89 1HA GLY 89 -11.994 6.809 4.589 431 2HA GLY 89 2HA GLY 89 -12.185 8.362 5.425 432 H GLY 90 H GLY 90 -9.490 6.054 5.774 433 1HA GLY 90 1HA GLY 90 -7.424 7.990 5.137 434 2HA GLY 90 2HA GLY 90 -7.233 6.226 5.236 435 H GLU 91 H GLU 91 -6.037 7.746 3.119 436 HA GLU 91 HA GLU 91 -7.130 6.280 0.889 437 1HB GLU 91 2HB GLU 91 -8.123 8.955 1.328 438 2HB GLU 91 3HB GLU 91 -7.064 9.034 -0.072 439 1HG GLU 91 2HG GLU 91 -8.292 7.138 -1.109 440 2HG GLU 91 3HG GLU 91 -9.393 7.110 0.283 441 H ILE 92 H ILE 92 -5.050 5.386 0.649 442 HA ILE 92 HA ILE 92 -2.823 7.292 0.077 443 HB ILE 92 HB ILE 92 -2.993 6.015 2.418 444 1HG1 ILE 92 2HG1 ILE 92 -1.351 7.651 2.022 445 2HG1 ILE 92 3HG1 ILE 92 -0.599 6.214 2.704 446 1HG2 ILE 92 1HG2 ILE 92 -1.424 3.992 0.783 447 2HG2 ILE 92 2HG2 ILE 92 -1.640 4.033 2.540 448 3HG2 ILE 92 3HG2 ILE 92 -3.037 3.760 1.495 449 1HD1 ILE 92 1HD1 ILE 92 0.178 5.593 0.365 450 2HD1 ILE 92 2HD1 ILE 92 -0.404 7.196 -0.161 451 3HD1 ILE 92 3HD1 ILE 92 0.865 7.071 1.052 452 H LEU 93 H LEU 93 -1.641 6.816 -1.696 453 HA LEU 93 HA LEU 93 -2.539 4.614 -3.428 454 1HB LEU 93 2HB LEU 93 -0.949 7.149 -3.720 455 2HB LEU 93 3HB LEU 93 -0.575 5.845 -4.847 456 HG LEU 93 HG LEU 93 -3.436 6.777 -4.443 457 1HD1 LEU 93 1HD1 LEU 93 -3.103 8.222 -6.437 458 2HD1 LEU 93 2HD1 LEU 93 -2.115 8.765 -5.069 459 3HD1 LEU 93 3HD1 LEU 93 -1.363 7.864 -6.405 460 1HD2 LEU 93 1HD2 LEU 93 -3.053 4.622 -5.652 461 2HD2 LEU 93 2HD2 LEU 93 -3.644 5.868 -6.759 462 3HD2 LEU 93 3HD2 LEU 93 -1.919 5.446 -6.744 463 H VAL 94 H VAL 94 -1.360 2.825 -3.920 464 HA VAL 94 HA VAL 94 1.396 2.524 -2.797 465 HB VAL 94 HB VAL 94 -0.889 0.532 -2.911 466 1HG1 VAL 94 1HG1 VAL 94 2.005 0.142 -2.039 467 2HG1 VAL 94 2HG1 VAL 94 0.696 -1.034 -1.780 468 3HG1 VAL 94 3HG1 VAL 94 1.200 -0.632 -3.424 469 1HG2 VAL 94 1HG2 VAL 94 0.581 1.760 -0.540 470 2HG2 VAL 94 2HG2 VAL 94 -1.110 2.057 -0.998 471 3HG2 VAL 94 3HG2 VAL 94 -0.620 0.456 -0.435 472 H THR 95 H THR 95 2.898 1.841 -4.328 473 HA THR 95 HA THR 95 1.881 1.291 -7.065 474 HB THR 95 HB THR 95 4.240 2.167 -7.627 475 HG1 THR 95 1HG THR 95 5.243 3.326 -6.008 476 1HG2 THR 95 1HG2 THR 95 2.200 3.563 -7.945 477 2HG2 THR 95 2HG2 THR 95 2.325 4.116 -6.258 478 3HG2 THR 95 3HG2 THR 95 3.594 4.526 -7.427 479 H TYR 96 H TYR 96 3.072 -0.211 -8.323 480 HA TYR 96 HA TYR 96 4.896 -2.110 -6.958 481 1HB TYR 96 2HB TYR 96 2.087 -2.469 -7.919 482 2HB TYR 96 3HB TYR 96 3.254 -3.659 -8.505 483 HD1 TYR 96 HD1 TYR 96 1.753 -2.209 -5.405 484 HD2 TYR 96 HD2 TYR 96 3.836 -5.488 -7.286 485 HE1 TYR 96 HE1 TYR 96 1.410 -3.612 -3.381 486 HE2 TYR 96 HE2 TYR 96 3.214 -6.943 -5.425 487 HH TYR 96 HH TYR 96 2.747 -6.923 -3.203 488 H ASP 97 H ASP 97 6.614 -2.518 -8.349 489 HA ASP 97 HA ASP 97 6.183 -2.241 -11.263 490 1HB ASP 97 2HB ASP 97 8.657 -2.236 -11.313 491 2HB ASP 97 3HB ASP 97 7.968 -0.899 -10.384 492 H ASP 98 H ASP 98 5.648 -4.612 -9.093 493 HA ASP 98 HA ASP 98 6.591 -6.766 -10.954 494 1HB ASP 98 2HB ASP 98 5.561 -7.116 -8.094 495 2HB ASP 98 3HB ASP 98 6.351 -8.326 -9.098 496 H LEU 99 H LEU 99 5.169 -8.560 -11.151 497 HA LEU 99 HA LEU 99 2.345 -7.985 -11.487 498 1HB LEU 99 2HB LEU 99 3.897 -10.622 -11.327 499 2HB LEU 99 3HB LEU 99 2.156 -10.490 -11.567 500 HG LEU 99 HG LEU 99 2.976 -8.786 -13.497 501 1HD1 LEU 99 1HD1 LEU 99 5.396 -9.254 -13.154 502 2HD1 LEU 99 2HD1 LEU 99 5.095 -10.981 -13.446 503 3HD1 LEU 99 3HD1 LEU 99 4.848 -9.797 -14.746 504 1HD2 LEU 99 1HD2 LEU 99 2.549 -10.623 -15.096 505 2HD2 LEU 99 2HD2 LEU 99 2.673 -11.801 -13.769 506 3HD2 LEU 99 3HD2 LEU 99 1.363 -10.596 -13.782 507 H LEU 100 H LEU 100 0.689 -8.447 -10.137 508 HA LEU 100 HA LEU 100 1.286 -8.655 -7.278 509 1HB LEU 100 2HB LEU 100 -1.364 -8.599 -8.886 510 2HB LEU 100 3HB LEU 100 -1.252 -8.331 -7.149 511 HG LEU 100 HG LEU 100 -0.105 -6.580 -9.333 512 1HD1 LEU 100 1HD1 LEU 100 -1.693 -4.974 -8.927 513 2HD1 LEU 100 2HD1 LEU 100 -2.607 -6.492 -8.892 514 3HD1 LEU 100 3HD1 LEU 100 -2.161 -5.652 -7.372 515 1HD2 LEU 100 1HD2 LEU 100 1.394 -6.405 -7.520 516 2HD2 LEU 100 2HD2 LEU 100 0.348 -4.980 -7.375 517 3HD2 LEU 100 3HD2 LEU 100 0.089 -6.370 -6.302 518 HA PRO 101 HA PRO 101 0.596 -13.076 -7.169 519 1HB PRO 101 2HB PRO 101 -0.640 -13.535 -4.753 520 2HB PRO 101 3HB PRO 101 1.036 -12.964 -4.915 521 1HG PRO 101 2HG PRO 101 -1.410 -11.226 -4.420 522 2HG PRO 101 3HG PRO 101 0.118 -11.234 -3.522 523 1HD PRO 101 2HD PRO 101 -0.344 -9.467 -5.526 524 2HD PRO 101 3HD PRO 101 1.278 -10.186 -5.320 525 H ASP 102 H ASP 102 -2.439 -12.574 -5.402 526 HA ASP 102 HA ASP 102 -3.866 -14.173 -7.302 527 1HB ASP 102 2HB ASP 102 -4.882 -12.559 -4.919 528 2HB ASP 102 3HB ASP 102 -5.709 -13.906 -5.711 529 H LEU 103 H LEU 103 -3.032 -11.998 -8.796 530 HA LEU 103 HA LEU 103 -3.510 -10.105 -9.906 531 1HB LEU 103 2HB LEU 103 -5.193 -11.455 -10.933 532 2HB LEU 103 3HB LEU 103 -6.336 -11.181 -9.621 533 HG LEU 103 HG LEU 103 -6.699 -8.900 -10.255 534 1HD1 LEU 103 1HD1 LEU 103 -5.708 -7.959 -12.346 535 2HD1 LEU 103 2HD1 LEU 103 -4.407 -8.301 -11.206 536 3HD1 LEU 103 3HD1 LEU 103 -4.709 -9.413 -12.549 537 1HD2 LEU 103 1HD2 LEU 103 -6.796 -10.777 -12.641 538 2HD2 LEU 103 2HD2 LEU 103 -7.988 -10.684 -11.327 539 3HD2 LEU 103 3HD2 LEU 103 -7.767 -9.304 -12.419 540 H PHE 104 H PHE 104 -3.984 -10.207 -6.690 541 HA PHE 104 HA PHE 104 -4.499 -8.767 -5.038 542 1HB PHE 104 2HB PHE 104 -2.984 -7.201 -5.972 543 2HB PHE 104 3HB PHE 104 -4.154 -6.672 -7.184 544 HD1 PHE 104 1HD PHE 104 -5.920 -5.147 -6.761 545 HD2 PHE 104 2HD PHE 104 -3.204 -6.369 -3.637 546 HE1 PHE 104 1HE PHE 104 -6.389 -3.055 -5.539 547 HE2 PHE 104 2HE PHE 104 -3.702 -4.265 -2.422 548 HZ PHE 104 HZ PHE 104 -5.229 -2.598 -3.377 549 H ARG 105 H ARG 105 -6.482 -9.670 -4.663 550 HA ARG 105 HA ARG 105 -8.806 -8.968 -6.258 551 1HB ARG 105 2HB ARG 105 -8.414 -10.441 -3.632 552 2HB ARG 105 3HB ARG 105 -10.004 -10.209 -4.376 553 1HG ARG 105 2HG ARG 105 -7.728 -11.446 -5.945 554 2HG ARG 105 3HG ARG 105 -8.665 -12.437 -4.834 555 1HD ARG 105 2HD ARG 105 -9.918 -10.736 -7.026 556 2HD ARG 105 3HD ARG 105 -9.450 -12.430 -7.255 557 HE ARG 105 HE ARG 105 -10.932 -12.635 -5.018 558 1HH1 ARG 105 2HH2 ARG 105 -11.683 -10.924 -8.011 559 2HH1 ARG 105 1HH2 ARG 105 -13.372 -11.313 -8.002 560 1HH2 ARG 105 1HH1 ARG 105 -13.157 -13.185 -4.972 561 2HH2 ARG 105 2HH1 ARG 105 -14.231 -12.635 -6.215 562 H GLU 106 H GLU 106 -9.940 -7.189 -6.094 563 HA GLU 106 HA GLU 106 -9.351 -5.219 -4.074 564 1HB GLU 106 2HB GLU 106 -11.464 -5.020 -6.245 565 2HB GLU 106 3HB GLU 106 -10.447 -3.756 -5.539 566 1HG GLU 106 2HG GLU 106 -9.351 -3.946 -7.496 567 2HG GLU 106 3HG GLU 106 -8.483 -5.231 -6.662 568 H GLY 107 H GLY 107 -11.354 -3.878 -3.263 569 1HA GLY 107 1HA GLY 107 -13.266 -3.729 -2.002 570 2HA GLY 107 2HA GLY 107 -13.873 -5.120 -2.914 571 H GLN 108 H GLN 108 -10.981 -5.155 -0.814 572 HA GLN 108 HA GLN 108 -12.339 -6.426 1.409 573 1HB GLN 108 2HB GLN 108 -11.019 -8.546 1.230 574 2HB GLN 108 3HB GLN 108 -12.228 -8.342 -0.033 575 1HG GLN 108 2HG GLN 108 -10.413 -7.546 -1.596 576 2HG GLN 108 3HG GLN 108 -9.226 -7.828 -0.316 577 1HE2 GLN 108 1HE2 GLN 108 -12.012 -9.558 -1.774 578 2HE2 GLN 108 2HE2 GLN 108 -11.260 -11.124 -1.678 579 H GLY 109 H GLY 109 -10.472 -7.254 2.961 580 1HA GLY 109 1HA GLY 109 -8.614 -4.963 3.175 581 2HA GLY 109 2HA GLY 109 -9.152 -5.985 4.495 582 H ILE 110 H ILE 110 -6.671 -5.250 2.351 583 HA ILE 110 HA ILE 110 -5.400 -7.948 2.539 584 HB ILE 110 HB ILE 110 -4.335 -7.622 0.445 585 1HG1 ILE 110 2HG1 ILE 110 -5.191 -5.428 -0.864 586 2HG1 ILE 110 3HG1 ILE 110 -5.033 -4.748 0.763 587 1HG2 ILE 110 1HG2 ILE 110 -6.154 -7.612 -1.114 588 2HG2 ILE 110 2HG2 ILE 110 -6.789 -8.320 0.380 589 3HG2 ILE 110 3HG2 ILE 110 -7.173 -6.640 -0.041 590 1HD1 ILE 110 1HD1 ILE 110 -2.913 -4.535 -0.387 591 2HD1 ILE 110 2HD1 ILE 110 -2.680 -5.836 0.786 592 3HD1 ILE 110 3HD1 ILE 110 -2.979 -6.246 -0.911 593 H VAL 111 H VAL 111 -3.061 -7.801 2.901 594 HA VAL 111 HA VAL 111 -2.262 -5.174 4.096 595 HB VAL 111 HB VAL 111 -1.010 -6.302 5.788 596 1HG1 VAL 111 1HG1 VAL 111 -3.480 -5.752 6.107 597 2HG1 VAL 111 2HG1 VAL 111 -3.840 -7.446 5.756 598 3HG1 VAL 111 3HG1 VAL 111 -2.855 -7.025 7.168 599 1HG2 VAL 111 1HG2 VAL 111 -0.419 -8.437 4.785 600 2HG2 VAL 111 2HG2 VAL 111 -1.384 -8.752 6.232 601 3HG2 VAL 111 3HG2 VAL 111 -2.135 -8.895 4.645 602 H ALA 112 H ALA 112 -0.737 -4.198 2.999 603 HA ALA 112 HA ALA 112 0.858 -5.725 1.013 604 1HB ALA 112 1HB ALA 112 1.036 -3.632 -0.186 605 2HB ALA 112 2HB ALA 112 -0.678 -3.925 0.177 606 3HB ALA 112 3HB ALA 112 0.242 -2.762 1.133 607 H GLN 113 H GLN 113 3.090 -5.474 0.935 608 HA GLN 113 HA GLN 113 4.426 -3.856 3.025 609 1HB GLN 113 2HB GLN 113 3.947 -6.004 4.024 610 2HB GLN 113 3HB GLN 113 4.535 -6.871 2.645 611 1HG GLN 113 2HG GLN 113 6.445 -4.988 4.073 612 2HG GLN 113 3HG GLN 113 5.982 -6.506 4.861 613 1HE2 GLN 113 1HE2 GLN 113 5.944 -8.494 3.379 614 2HE2 GLN 113 2HE2 GLN 113 7.432 -8.718 2.519 615 H GLY 114 H GLY 114 6.399 -3.115 2.510 616 1HA GLY 114 1HA GLY 114 8.317 -4.126 0.915 617 2HA GLY 114 2HA GLY 114 7.376 -3.176 -0.240 618 H VAL 115 H VAL 115 8.310 -1.064 -0.366 619 HA VAL 115 HA VAL 115 9.356 0.067 2.143 620 HB VAL 115 HB VAL 115 11.181 -1.330 1.330 621 1HG1 VAL 115 1HG1 VAL 115 11.032 0.221 -1.297 622 2HG1 VAL 115 2HG1 VAL 115 12.256 -0.986 -0.862 623 3HG1 VAL 115 3HG1 VAL 115 10.574 -1.482 -1.077 624 1HG2 VAL 115 1HG2 VAL 115 11.860 1.572 0.776 625 2HG2 VAL 115 2HG2 VAL 115 11.910 0.741 2.347 626 3HG2 VAL 115 3HG2 VAL 115 13.002 0.255 1.058 627 H LEU 116 H LEU 116 9.728 2.249 2.077 628 HA LEU 116 HA LEU 116 7.914 3.613 0.216 629 1HB LEU 116 2HB LEU 116 9.804 4.840 2.225 630 2HB LEU 116 3HB LEU 116 8.329 5.536 1.535 631 HG LEU 116 HG LEU 116 8.763 3.738 3.836 632 1HD1 LEU 116 1HD1 LEU 116 6.803 4.863 4.717 633 2HD1 LEU 116 2HD1 LEU 116 8.038 5.990 4.126 634 3HD1 LEU 116 3HD1 LEU 116 6.584 5.700 3.161 635 1HD2 LEU 116 1HD2 LEU 116 6.833 2.692 1.864 636 2HD2 LEU 116 2HD2 LEU 116 7.472 2.010 3.346 637 3HD2 LEU 116 3HD2 LEU 116 6.097 3.125 3.390 638 H GLY 117 H GLY 117 8.526 5.351 -1.255 639 1HA GLY 117 1HA GLY 117 11.228 6.148 -1.709 640 2HA GLY 117 2HA GLY 117 10.888 4.785 -2.778 641 H GLU 118 H GLU 118 8.350 7.169 -1.967 642 HA GLU 118 HA GLU 118 8.735 8.595 -4.521 643 1HB GLU 118 2HB GLU 118 6.211 7.046 -3.859 644 2HB GLU 118 3HB GLU 118 6.527 8.016 -5.317 645 1HG GLU 118 2HG GLU 118 8.302 6.317 -5.895 646 2HG GLU 118 3HG GLU 118 7.783 5.380 -4.478 647 H ASP 119 H ASP 119 9.098 9.621 -2.042 648 HA ASP 119 HA ASP 119 8.159 10.795 -0.261 649 1HB ASP 119 2HB ASP 119 8.380 12.447 -2.799 650 2HB ASP 119 3HB ASP 119 8.429 13.076 -1.146 651 H GLY 120 H GLY 120 6.172 9.560 -0.186 652 1HA GLY 120 1HA GLY 120 3.927 10.534 0.596 653 2HA GLY 120 2HA GLY 120 3.717 11.052 -1.074 654 H LYS 121 H LYS 121 5.117 8.499 -2.065 655 HA LYS 121 HA LYS 121 2.833 6.609 -1.616 656 1HB LYS 121 2HB LYS 121 4.149 7.453 -4.215 657 2HB LYS 121 3HB LYS 121 3.492 5.837 -4.014 658 1HG LYS 121 2HG LYS 121 1.769 7.009 -4.984 659 2HG LYS 121 3HG LYS 121 1.318 6.865 -3.287 660 1HD LYS 121 2HD LYS 121 0.765 9.047 -4.184 661 2HD LYS 121 3HD LYS 121 1.928 9.233 -2.892 662 1HE LYS 121 2HE LYS 121 3.045 8.948 -5.694 663 2HE LYS 121 3HE LYS 121 2.064 10.376 -5.393 664 1HZ LYS 121 1HZ LYS 121 4.533 9.636 -3.886 665 2HZ LYS 121 2HZ LYS 121 4.369 10.828 -4.970 666 3HZ LYS 121 3HZ LYS 121 3.576 10.925 -3.545 667 H LEU 122 H LEU 122 3.322 4.381 -2.105 668 HA LEU 122 HA LEU 122 5.923 3.623 -0.845 669 1HB LEU 122 2HB LEU 122 3.252 2.238 -0.522 670 2HB LEU 122 3HB LEU 122 4.754 1.984 0.371 671 HG LEU 122 HG LEU 122 2.785 4.304 0.540 672 1HD1 LEU 122 1HD1 LEU 122 3.964 2.333 2.522 673 2HD1 LEU 122 2HD1 LEU 122 2.750 3.579 2.898 674 3HD1 LEU 122 3HD1 LEU 122 2.340 2.246 1.801 675 1HD2 LEU 122 1HD2 LEU 122 5.707 4.363 1.194 676 2HD2 LEU 122 2HD2 LEU 122 4.589 5.669 0.868 677 3HD2 LEU 122 3HD2 LEU 122 4.615 4.900 2.466 678 H ALA 123 H ALA 123 7.070 1.919 -1.826 679 HA ALA 123 HA ALA 123 5.840 0.743 -4.264 680 1HB ALA 123 1HB ALA 123 8.152 0.061 -4.775 681 2HB ALA 123 2HB ALA 123 8.005 1.821 -4.598 682 3HB ALA 123 3HB ALA 123 8.729 0.855 -3.293 683 H ALA 124 H ALA 124 4.619 -0.954 -3.547 684 HA ALA 124 HA ALA 124 5.669 -2.673 -1.328 685 1HB ALA 124 1HB ALA 124 3.542 -1.846 -0.788 686 2HB ALA 124 2HB ALA 124 2.895 -2.267 -2.384 687 3HB ALA 124 3HB ALA 124 3.354 -3.555 -1.239 688 H THR 125 H THR 125 5.615 -4.962 -1.629 689 HA THR 125 HA THR 125 5.245 -5.924 -4.412 690 HB THR 125 HB THR 125 7.566 -5.560 -4.408 691 HG1 THR 125 1HG THR 125 7.028 -7.259 -5.582 692 1HG2 THR 125 1HG2 THR 125 7.757 -7.509 -2.062 693 2HG2 THR 125 2HG2 THR 125 9.097 -6.805 -2.982 694 3HG2 THR 125 3HG2 THR 125 8.082 -5.757 -1.974 695 H GLU 126 H GLU 126 5.580 -6.802 -0.925 696 HA GLU 126 HA GLU 126 4.282 -9.414 -1.458 697 1HB GLU 126 2HB GLU 126 6.211 -9.154 0.078 698 2HB GLU 126 3HB GLU 126 5.252 -8.035 1.034 699 1HG GLU 126 2HG GLU 126 4.771 -9.916 2.254 700 2HG GLU 126 3HG GLU 126 3.573 -10.226 0.982 701 H VAL 127 H VAL 127 2.063 -9.122 -1.904 702 HA VAL 127 HA VAL 127 0.457 -7.571 0.091 703 HB VAL 127 HB VAL 127 -1.362 -7.662 -1.676 704 1HG1 VAL 127 1HG1 VAL 127 -0.917 -5.537 -1.292 705 2HG1 VAL 127 2HG1 VAL 127 0.823 -5.721 -1.367 706 3HG1 VAL 127 3HG1 VAL 127 -0.138 -5.584 -2.868 707 1HG2 VAL 127 1HG2 VAL 127 -0.665 -7.501 -4.019 708 2HG2 VAL 127 2HG2 VAL 127 0.976 -8.020 -3.586 709 3HG2 VAL 127 3HG2 VAL 127 -0.410 -9.084 -3.294 710 H LEU 128 H LEU 128 -0.527 -8.799 1.499 711 HA LEU 128 HA LEU 128 -1.177 -11.623 0.731 712 1HB LEU 128 2HB LEU 128 -0.921 -10.483 3.515 713 2HB LEU 128 3HB LEU 128 -1.126 -12.157 3.027 714 HG LEU 128 HG LEU 128 1.074 -12.028 3.660 715 1HD1 LEU 128 1HD1 LEU 128 0.820 -13.112 1.429 716 2HD1 LEU 128 2HD1 LEU 128 1.338 -11.598 0.660 717 3HD1 LEU 128 3HD1 LEU 128 2.442 -12.463 1.729 718 1HD2 LEU 128 1HD2 LEU 128 2.691 -10.361 3.184 719 2HD2 LEU 128 2HD2 LEU 128 1.615 -9.485 2.086 720 3HD2 LEU 128 3HD2 LEU 128 1.258 -9.561 3.821 721 H ALA 129 H ALA 129 -3.233 -11.748 0.085 722 HA ALA 129 HA ALA 129 -5.319 -9.931 1.067 723 1HB ALA 129 1HB ALA 129 -5.394 -12.262 -0.893 724 2HB ALA 129 2HB ALA 129 -6.715 -11.121 -0.578 725 3HB ALA 129 3HB ALA 129 -5.208 -10.543 -1.311 726 H LYS 130 H LYS 130 -4.484 -11.064 3.290 727 HA LYS 130 HA LYS 130 -5.711 -13.685 3.744 728 1HB LYS 130 2HB LYS 130 -4.633 -13.707 5.827 729 2HB LYS 130 3HB LYS 130 -3.513 -13.072 4.621 730 1HG LYS 130 2HG LYS 130 -4.221 -10.707 5.525 731 2HG LYS 130 3HG LYS 130 -4.895 -11.622 6.884 732 1HD LYS 130 2HD LYS 130 -2.590 -12.775 7.048 733 2HD LYS 130 3HD LYS 130 -2.009 -11.431 6.038 734 1HE LYS 130 2HE LYS 130 -3.042 -9.830 7.748 735 2HE LYS 130 3HE LYS 130 -3.470 -11.235 8.735 736 1HZ LYS 130 1HZ LYS 130 -1.128 -11.748 8.913 737 2HZ LYS 130 2HZ LYS 130 -0.735 -10.403 8.044 738 3HZ LYS 130 3HZ LYS 130 -1.466 -10.252 9.506 739 H HIS 131 H HID 131 -7.914 -12.826 3.076 740 HA HIS 131 HA HID 131 -9.372 -11.817 5.463 741 1HB HIS 131 2HB HID 131 -8.548 -10.111 3.554 742 2HB HIS 131 3HB HID 131 -10.020 -10.656 2.768 743 HD1 HIS 131 1HD HID 131 -12.261 -9.700 3.767 744 HD2 HIS 131 2HD HID 131 -8.795 -8.855 6.003 745 HE1 HIS 131 1HE HID 131 -12.941 -8.007 5.589 746 H ASP 132 H ASP 132 -11.141 -12.922 5.825 747 HA ASP 132 HA ASP 132 -12.270 -14.764 3.756 748 1HB ASP 132 2HB ASP 132 -12.163 -14.907 6.799 749 2HB ASP 132 3HB ASP 132 -13.075 -16.013 5.769 Start of MODEL 24 1 H SER 32 H SER 32 17.548 -5.711 15.175 2 HA SER 32 HA SER 32 17.764 -4.349 12.514 3 1HB SER 32 2HB SER 32 19.700 -5.719 13.183 4 2HB SER 32 3HB SER 32 18.636 -7.125 13.412 5 HG SER 32 HG SER 32 18.063 -6.932 11.213 6 H ASN 33 H ASN 33 15.207 -4.328 13.427 7 HA ASN 33 HA ASN 33 13.897 -6.280 11.670 8 1HB ASN 33 2HB ASN 33 13.916 -7.395 13.880 9 2HB ASN 33 3HB ASN 33 13.146 -5.972 14.606 10 1HD2 ASN 33 1HD2 ASN 33 11.575 -7.845 15.191 11 2HD2 ASN 33 2HD2 ASN 33 10.282 -8.136 14.044 12 H LEU 34 H LEU 34 12.724 -5.041 10.370 13 HA LEU 34 HA LEU 34 11.464 -2.507 11.366 14 1HB LEU 34 2HB LEU 34 12.933 -3.097 8.770 15 2HB LEU 34 3HB LEU 34 12.053 -1.600 9.109 16 HG LEU 34 HG LEU 34 14.301 -2.473 10.957 17 1HD1 LEU 34 1HD1 LEU 34 14.610 -0.944 8.349 18 2HD1 LEU 34 2HD1 LEU 34 15.859 -1.145 9.599 19 3HD1 LEU 34 3HD1 LEU 34 15.260 -2.558 8.717 20 1HD2 LEU 34 1HD2 LEU 34 14.468 -0.062 11.350 21 2HD2 LEU 34 2HD2 LEU 34 13.217 0.258 10.132 22 3HD2 LEU 34 3HD2 LEU 34 12.802 -0.591 11.637 23 H ASN 35 H ASN 35 9.769 -4.299 11.706 24 HA ASN 35 HA ASN 35 8.091 -4.609 9.252 25 1HB ASN 35 2HB ASN 35 8.974 -6.799 11.185 26 2HB ASN 35 3HB ASN 35 7.636 -6.952 10.049 27 1HD2 ASN 35 1HD2 ASN 35 11.082 -7.116 10.394 28 2HD2 ASN 35 2HD2 ASN 35 11.438 -7.432 8.697 29 H LEU 36 H LEU 36 6.246 -3.515 9.789 30 HA LEU 36 HA LEU 36 4.820 -4.258 12.211 31 1HB LEU 36 2HB LEU 36 4.541 -1.955 12.959 32 2HB LEU 36 3HB LEU 36 6.192 -2.528 13.154 33 HG LEU 36 HG LEU 36 5.366 -0.775 10.790 34 1HD1 LEU 36 1HD1 LEU 36 4.763 0.365 12.881 35 2HD1 LEU 36 2HD1 LEU 36 6.399 0.092 13.514 36 3HD1 LEU 36 3HD1 LEU 36 6.146 1.144 12.103 37 1HD2 LEU 36 1HD2 LEU 36 8.051 -1.373 12.128 38 2HD2 LEU 36 2HD2 LEU 36 7.591 -1.773 10.458 39 3HD2 LEU 36 3HD2 LEU 36 7.798 -0.096 10.928 40 H PHE 37 H PHE 37 2.652 -4.093 11.942 41 HA PHE 37 HA PHE 37 1.659 -3.409 9.234 42 1HB PHE 37 2HB PHE 37 0.437 -4.994 11.503 43 2HB PHE 37 3HB PHE 37 -0.350 -4.635 9.980 44 HD1 PHE 37 1HD PHE 37 2.254 -6.693 11.608 45 HD2 PHE 37 2HD PHE 37 0.303 -5.736 7.880 46 HE1 PHE 37 1HE PHE 37 2.920 -8.891 10.693 47 HE2 PHE 37 2HE PHE 37 0.975 -7.948 6.976 48 HZ PHE 37 HZ PHE 37 2.212 -9.553 8.395 49 H TYR 38 H TYR 38 0.855 -1.477 8.924 50 HA TYR 38 HA TYR 38 -0.464 0.026 11.144 51 1HB TYR 38 2HB TYR 38 1.728 0.700 9.197 52 2HB TYR 38 3HB TYR 38 0.445 1.889 9.343 53 HD1 TYR 38 HD1 TYR 38 1.798 -0.218 12.183 54 HD2 TYR 38 HD2 TYR 38 1.646 3.665 10.306 55 HE1 TYR 38 HE1 TYR 38 2.195 0.861 14.369 56 HE2 TYR 38 HE2 TYR 38 2.305 4.698 12.453 57 HH TYR 38 HH TYR 38 1.598 4.275 14.728 58 H THR 39 H THR 39 -2.123 1.523 10.468 59 HA THR 39 HA THR 39 -3.732 0.475 8.264 60 HB THR 39 HB THR 39 -5.379 2.140 9.365 61 HG1 THR 39 1HG THR 39 -4.644 2.666 11.551 62 1HG2 THR 39 1HG2 THR 39 -5.810 0.641 11.280 63 2HG2 THR 39 2HG2 THR 39 -5.427 -0.300 9.826 64 3HG2 THR 39 3HG2 THR 39 -4.203 -0.090 11.097 65 HA PRO 40 HA PRO 40 -2.451 3.713 5.534 66 1HB PRO 40 2HB PRO 40 -4.802 4.274 4.138 67 2HB PRO 40 3HB PRO 40 -3.639 2.973 3.813 68 1HG PRO 40 2HG PRO 40 -6.220 2.761 5.354 69 2HG PRO 40 3HG PRO 40 -5.518 1.618 4.191 70 1HD PRO 40 2HD PRO 40 -5.350 1.245 6.863 71 2HD PRO 40 3HD PRO 40 -3.996 0.795 5.783 72 H SER 41 H SER 41 -5.437 4.336 7.407 73 HA SER 41 HA SER 41 -5.479 7.112 7.335 74 1HB SER 41 2HB SER 41 -7.138 5.599 8.489 75 2HB SER 41 3HB SER 41 -6.022 5.483 9.855 76 HG SER 41 HG SER 41 -6.166 7.817 9.953 77 H GLU 42 H GLU 42 -3.189 5.032 9.131 78 HA GLU 42 HA GLU 42 -2.257 7.323 10.706 79 1HB GLU 42 2HB GLU 42 -2.606 5.161 11.794 80 2HB GLU 42 3HB GLU 42 -1.354 4.418 10.786 81 1HG GLU 42 2HG GLU 42 0.324 5.727 11.718 82 2HG GLU 42 3HG GLU 42 -0.830 6.914 12.459 83 H ILE 43 H ILE 43 -1.744 6.550 7.536 84 HA ILE 43 HA ILE 43 0.968 7.782 7.674 85 HB ILE 43 HB ILE 43 1.426 6.628 5.483 86 1HG1 ILE 43 2HG1 ILE 43 -0.756 4.767 6.498 87 2HG1 ILE 43 3HG1 ILE 43 -0.864 5.781 5.039 88 1HG2 ILE 43 1HG2 ILE 43 2.420 4.786 6.645 89 2HG2 ILE 43 2HG2 ILE 43 2.428 6.137 7.770 90 3HG2 ILE 43 3HG2 ILE 43 1.216 4.859 7.950 91 1HD1 ILE 43 1HD1 ILE 43 1.021 3.431 5.532 92 2HD1 ILE 43 2HD1 ILE 43 -0.322 3.512 4.395 93 3HD1 ILE 43 3HD1 ILE 43 1.119 4.512 4.121 94 H VAL 44 H VAL 44 -2.131 8.596 7.005 95 HA VAL 44 HA VAL 44 -1.314 10.427 4.828 96 HB VAL 44 HB VAL 44 -3.356 9.014 4.649 97 1HG1 VAL 44 1HG1 VAL 44 -4.709 11.118 6.364 98 2HG1 VAL 44 2HG1 VAL 44 -5.437 9.720 5.572 99 3HG1 VAL 44 3HG1 VAL 44 -4.335 9.469 6.931 100 1HG2 VAL 44 1HG2 VAL 44 -4.621 10.772 3.490 101 2HG2 VAL 44 2HG2 VAL 44 -3.639 12.021 4.284 102 3HG2 VAL 44 3HG2 VAL 44 -2.889 10.881 3.145 103 H ASN 45 H ASN 45 -3.011 10.758 8.020 104 HA ASN 45 HA ASN 45 -2.946 13.618 7.766 105 1HB ASN 45 2HB ASN 45 -3.588 11.895 10.177 106 2HB ASN 45 3HB ASN 45 -3.849 13.639 10.063 107 1HD2 ASN 45 1HD2 ASN 45 -5.243 10.546 9.369 108 2HD2 ASN 45 2HD2 ASN 45 -6.627 11.175 8.494 109 H GLY 46 H GLY 46 -0.632 14.008 7.470 110 1HA GLY 46 1HA GLY 46 1.244 15.118 8.343 111 2HA GLY 46 2HA GLY 46 0.508 15.062 9.956 112 H LYS 47 H LYS 47 1.698 12.757 7.524 113 HA LYS 47 HA LYS 47 3.477 11.328 9.325 114 1HB LYS 47 2HB LYS 47 1.006 10.165 7.969 115 2HB LYS 47 3HB LYS 47 2.260 9.186 8.738 116 1HG LYS 47 2HG LYS 47 0.441 11.171 10.158 117 2HG LYS 47 3HG LYS 47 0.199 9.466 10.134 118 1HD LYS 47 2HD LYS 47 2.651 10.872 11.283 119 2HD LYS 47 3HD LYS 47 1.286 10.337 12.227 120 1HE LYS 47 2HE LYS 47 2.813 8.297 10.528 121 2HE LYS 47 3HE LYS 47 3.492 8.937 12.000 122 1HZ LYS 47 1HZ LYS 47 1.388 8.112 13.102 123 2HZ LYS 47 2HZ LYS 47 0.908 7.565 11.607 124 3HZ LYS 47 3HZ LYS 47 2.188 6.898 12.369 125 H THR 48 H THR 48 3.158 9.156 6.996 126 HA THR 48 HA THR 48 5.361 9.899 5.570 127 HB THR 48 HB THR 48 3.190 8.045 4.539 128 HG1 THR 48 1HG THR 48 4.062 6.555 6.101 129 1HG2 THR 48 1HG2 THR 48 5.232 6.606 4.230 130 2HG2 THR 48 2HG2 THR 48 5.222 8.081 3.225 131 3HG2 THR 48 3HG2 THR 48 6.246 7.986 4.677 132 H ASP 49 H ASP 49 1.909 10.194 4.532 133 HA ASP 49 HA ASP 49 2.101 11.115 1.961 134 1HB ASP 49 2HB ASP 49 -0.036 11.010 2.989 135 2HB ASP 49 3HB ASP 49 0.453 12.082 4.317 136 H THR 50 H THR 50 2.381 13.214 4.809 137 HA THR 50 HA THR 50 3.395 15.423 3.224 138 HB THR 50 HB THR 50 3.065 15.444 6.213 139 HG1 THR 50 1HG THR 50 0.984 14.941 4.377 140 1HG2 THR 50 1HG2 THR 50 3.634 17.550 5.058 141 2HG2 THR 50 2HG2 THR 50 2.218 17.366 4.000 142 3HG2 THR 50 3HG2 THR 50 2.000 17.630 5.742 143 H GLY 51 H GLY 51 4.985 12.807 4.521 144 1HA GLY 51 1HA GLY 51 7.017 12.344 5.407 145 2HA GLY 51 2HA GLY 51 7.574 13.662 4.366 146 H VAL 52 H VAL 52 5.488 13.855 7.311 147 HA VAL 52 HA VAL 52 7.404 15.897 8.357 148 HB VAL 52 HB VAL 52 5.686 16.383 10.041 149 1HG1 VAL 52 1HG1 VAL 52 5.844 17.698 8.002 150 2HG1 VAL 52 2HG1 VAL 52 4.817 16.545 7.139 151 3HG1 VAL 52 3HG1 VAL 52 4.146 17.500 8.474 152 1HG2 VAL 52 1HG2 VAL 52 4.543 14.161 10.059 153 2HG2 VAL 52 2HG2 VAL 52 3.445 15.530 9.815 154 3HG2 VAL 52 3HG2 VAL 52 3.912 14.517 8.433 155 H LYS 53 H LYS 53 6.537 12.606 9.061 156 HA LYS 53 HA LYS 53 8.454 12.621 11.312 157 1HB LYS 53 2HB LYS 53 5.631 11.597 11.348 158 2HB LYS 53 3HB LYS 53 6.868 10.677 12.224 159 1HG LYS 53 2HG LYS 53 6.365 13.655 12.578 160 2HG LYS 53 3HG LYS 53 5.644 12.389 13.575 161 1HD LYS 53 2HD LYS 53 7.506 12.267 14.880 162 2HD LYS 53 3HD LYS 53 8.436 11.773 13.485 163 1HE LYS 53 2HE LYS 53 9.615 13.621 14.179 164 2HE LYS 53 3HE LYS 53 8.656 14.289 12.880 165 1HZ LYS 53 1HZ LYS 53 8.037 14.517 15.749 166 2HZ LYS 53 2HZ LYS 53 8.593 15.711 14.765 167 3HZ LYS 53 3HZ LYS 53 7.086 15.096 14.531 168 HA PRO 54 HA PRO 54 9.215 8.478 9.403 169 1HB PRO 54 2HB PRO 54 7.520 7.187 7.711 170 2HB PRO 54 3HB PRO 54 7.309 7.149 9.489 171 1HG PRO 54 2HG PRO 54 5.942 8.963 7.506 172 2HG PRO 54 3HG PRO 54 5.169 7.995 8.788 173 1HD PRO 54 2HD PRO 54 5.762 10.642 9.110 174 2HD PRO 54 3HD PRO 54 5.925 9.468 10.456 175 H GLU 55 H GLU 55 10.828 8.842 7.961 176 HA GLU 55 HA GLU 55 10.491 10.593 5.640 177 1HB GLU 55 2HB GLU 55 12.801 8.936 6.761 178 2HB GLU 55 3HB GLU 55 12.949 10.011 5.369 179 1HG GLU 55 2HG GLU 55 11.940 11.135 8.009 180 2HG GLU 55 3HG GLU 55 13.664 10.854 7.742 181 H ALA 56 H ALA 56 11.120 9.805 3.471 182 HA ALA 56 HA ALA 56 10.031 7.208 2.869 183 1HB ALA 56 1HB ALA 56 9.955 9.017 1.205 184 2HB ALA 56 2HB ALA 56 11.729 9.028 1.117 185 3HB ALA 56 3HB ALA 56 10.809 7.612 0.549 186 H GLY 57 H GLY 57 11.412 5.380 1.855 187 1HA GLY 57 1HA GLY 57 13.357 4.120 1.791 188 2HA GLY 57 2HA GLY 57 14.217 5.291 2.786 189 H GLN 58 H GLN 58 11.252 4.761 4.281 190 HA GLN 58 HA GLN 58 12.453 2.906 6.267 191 1HB GLN 58 2HB GLN 58 9.973 4.668 6.332 192 2HB GLN 58 3HB GLN 58 10.475 3.530 7.604 193 1HG GLN 58 2HG GLN 58 12.592 4.750 7.913 194 2HG GLN 58 3HG GLN 58 12.180 5.863 6.605 195 1HE2 GLN 58 1HE2 GLN 58 9.557 4.865 8.772 196 2HE2 GLN 58 2HE2 GLN 58 9.542 6.354 9.692 197 H ARG 59 H ARG 59 11.424 0.979 6.826 198 HA ARG 59 HA ARG 59 9.549 -0.134 4.812 199 1HB ARG 59 2HB ARG 59 10.931 -1.513 7.143 200 2HB ARG 59 3HB ARG 59 9.922 -2.253 5.896 201 1HG ARG 59 2HG ARG 59 11.617 -1.279 4.198 202 2HG ARG 59 3HG ARG 59 12.679 -1.008 5.589 203 1HD ARG 59 2HD ARG 59 12.539 -3.397 6.193 204 2HD ARG 59 3HD ARG 59 11.425 -3.718 4.868 205 HE ARG 59 HE ARG 59 14.314 -3.396 4.749 206 1HH1 ARG 59 2HH2 ARG 59 11.330 -3.027 2.813 207 2HH1 ARG 59 1HH2 ARG 59 12.112 -3.415 1.316 208 1HH2 ARG 59 1HH1 ARG 59 15.361 -3.715 2.725 209 2HH2 ARG 59 2HH1 ARG 59 14.455 -3.707 1.249 210 H ILE 60 H ILE 60 7.455 -0.500 5.287 211 HA ILE 60 HA ILE 60 6.587 -0.877 8.015 212 HB ILE 60 HB ILE 60 4.638 0.639 7.806 213 1HG1 ILE 60 2HG1 ILE 60 6.115 2.139 5.617 214 2HG1 ILE 60 3HG1 ILE 60 4.894 0.921 5.232 215 1HG2 ILE 60 1HG2 ILE 60 5.736 2.664 8.556 216 2HG2 ILE 60 2HG2 ILE 60 6.657 1.279 9.134 217 3HG2 ILE 60 3HG2 ILE 60 7.245 2.220 7.746 218 1HD1 ILE 60 1HD1 ILE 60 3.893 3.145 5.255 219 2HD1 ILE 60 2HD1 ILE 60 3.193 2.120 6.518 220 3HD1 ILE 60 3HD1 ILE 60 4.373 3.384 6.938 221 H ARG 61 H ARG 61 4.237 -1.754 7.851 222 HA ARG 61 HA ARG 61 3.756 -2.820 5.129 223 1HB ARG 61 2HB ARG 61 2.736 -4.163 7.639 224 2HB ARG 61 3HB ARG 61 2.867 -4.793 6.006 225 1HG ARG 61 2HG ARG 61 5.372 -4.607 6.278 226 2HG ARG 61 3HG ARG 61 5.145 -4.193 7.971 227 1HD ARG 61 2HD ARG 61 4.053 -6.268 8.485 228 2HD ARG 61 3HD ARG 61 3.958 -6.697 6.765 229 HE ARG 61 HE ARG 61 6.704 -6.315 7.663 230 1HH1 ARG 61 2HH2 ARG 61 4.065 -8.599 7.709 231 2HH1 ARG 61 1HH2 ARG 61 5.034 -10.023 7.435 232 1HH2 ARG 61 1HH1 ARG 61 8.068 -8.135 7.333 233 2HH2 ARG 61 2HH1 ARG 61 7.404 -9.743 7.239 234 H VAL 62 H VAL 62 1.805 -2.185 4.271 235 HA VAL 62 HA VAL 62 0.003 -0.579 6.043 236 HB VAL 62 HB VAL 62 -0.767 0.627 4.377 237 1HG1 VAL 62 1HG1 VAL 62 1.792 -0.219 2.974 238 2HG1 VAL 62 2HG1 VAL 62 0.909 1.310 2.807 239 3HG1 VAL 62 3HG1 VAL 62 1.704 0.919 4.344 240 1HG2 VAL 62 1HG2 VAL 62 -0.342 -1.574 2.349 241 2HG2 VAL 62 2HG2 VAL 62 -1.888 -1.048 3.050 242 3HG2 VAL 62 3HG2 VAL 62 -0.980 0.039 1.999 243 H GLY 63 H GLY 63 -1.954 -1.476 6.654 244 1HA GLY 63 1HA GLY 63 -2.928 -3.865 5.121 245 2HA GLY 63 2HA GLY 63 -2.927 -3.811 6.879 246 H GLY 64 H GLY 64 -4.985 -3.654 4.373 247 1HA GLY 64 1HA GLY 64 -7.064 -2.165 5.574 248 2HA GLY 64 2HA GLY 64 -6.191 -1.075 4.475 249 H MET 65 H MET 65 -8.371 -1.115 3.293 250 HA MET 65 HA MET 65 -8.670 -3.555 1.658 251 1HB MET 65 2HB MET 65 -11.063 -2.927 1.450 252 2HB MET 65 3HB MET 65 -10.561 -3.545 3.019 253 1HG MET 65 2HG MET 65 -10.928 -1.600 4.119 254 2HG MET 65 3HG MET 65 -10.366 -0.613 2.781 255 1HE MET 65 1HE MET 65 -13.448 -0.101 0.556 256 2HE MET 65 2HE MET 65 -11.675 -0.005 0.708 257 3HE MET 65 3HE MET 65 -12.462 -1.562 0.363 258 H VAL 66 H VAL 66 -8.880 -3.568 -0.344 259 HA VAL 66 HA VAL 66 -7.711 -1.382 -1.854 260 HB VAL 66 HB VAL 66 -9.143 -3.924 -2.744 261 1HG1 VAL 66 1HG1 VAL 66 -7.884 -3.624 -4.895 262 2HG1 VAL 66 2HG1 VAL 66 -9.158 -2.433 -4.661 263 3HG1 VAL 66 3HG1 VAL 66 -7.457 -1.982 -4.378 264 1HG2 VAL 66 1HG2 VAL 66 -6.906 -4.826 -3.096 265 2HG2 VAL 66 2HG2 VAL 66 -6.170 -3.303 -2.555 266 3HG2 VAL 66 3HG2 VAL 66 -7.069 -4.320 -1.413 267 H THR 67 H THR 67 -8.793 -0.201 -3.624 268 HA THR 67 HA THR 67 -11.592 0.532 -2.931 269 HB THR 67 HB THR 67 -9.378 1.987 -4.374 270 HG1 THR 67 1HG THR 67 -9.222 3.117 -2.458 271 1HG2 THR 67 1HG2 THR 67 -10.818 4.002 -4.057 272 2HG2 THR 67 2HG2 THR 67 -11.549 2.830 -5.149 273 3HG2 THR 67 3HG2 THR 67 -12.128 2.957 -3.464 274 H VAL 68 H VAL 68 -13.148 0.180 -4.348 275 HA VAL 68 HA VAL 68 -12.822 -1.238 -6.826 276 HB VAL 68 HB VAL 68 -14.596 -1.703 -5.215 277 1HG1 VAL 68 1HG1 VAL 68 -15.096 0.465 -4.302 278 2HG1 VAL 68 2HG1 VAL 68 -15.638 1.075 -5.866 279 3HG1 VAL 68 3HG1 VAL 68 -16.569 -0.191 -5.036 280 1HG2 VAL 68 1HG2 VAL 68 -16.287 -2.174 -6.753 281 2HG2 VAL 68 2HG2 VAL 68 -15.970 -0.739 -7.733 282 3HG2 VAL 68 3HG2 VAL 68 -14.814 -2.083 -7.743 283 H GLY 69 H GLY 69 -11.501 0.990 -7.043 284 1HA GLY 69 1HA GLY 69 -12.068 2.043 -9.579 285 2HA GLY 69 2HA GLY 69 -12.794 3.187 -8.428 286 H SER 70 H SER 70 -9.795 1.216 -8.385 287 HA SER 70 HA SER 70 -8.116 3.583 -8.583 288 1HB SER 70 2HB SER 70 -7.884 2.016 -6.004 289 2HB SER 70 3HB SER 70 -6.993 3.466 -6.516 290 HG SER 70 HG SER 70 -9.397 4.272 -6.684 291 H MET 71 H MET 71 -8.277 0.060 -7.810 292 HA MET 71 HA MET 71 -5.654 -0.672 -8.524 293 1HB MET 71 2HB MET 71 -7.125 -2.299 -7.551 294 2HB MET 71 3HB MET 71 -8.344 -2.037 -8.794 295 1HG MET 71 2HG MET 71 -7.531 -3.674 -10.027 296 2HG MET 71 3HG MET 71 -5.961 -2.891 -10.175 297 1HE MET 71 1HE MET 71 -4.909 -3.150 -7.026 298 2HE MET 71 2HE MET 71 -3.798 -4.456 -7.480 299 3HE MET 71 3HE MET 71 -4.033 -3.094 -8.591 300 H VAL 72 H VAL 72 -4.562 -0.111 -10.340 301 HA VAL 72 HA VAL 72 -5.834 -0.807 -12.912 302 HB VAL 72 HB VAL 72 -4.620 1.178 -13.948 303 1HG1 VAL 72 1HG1 VAL 72 -7.025 1.800 -12.178 304 2HG1 VAL 72 2HG1 VAL 72 -6.501 2.707 -13.606 305 3HG1 VAL 72 3HG1 VAL 72 -7.087 1.043 -13.782 306 1HG2 VAL 72 1HG2 VAL 72 -3.950 3.025 -12.700 307 2HG2 VAL 72 2HG2 VAL 72 -4.951 2.598 -11.301 308 3HG2 VAL 72 3HG2 VAL 72 -3.474 1.691 -11.634 309 H ARG 73 H ARG 73 -4.267 -1.330 -14.551 310 HA ARG 73 HA ARG 73 -1.638 -2.162 -13.496 311 1HB ARG 73 2HB ARG 73 -1.858 -4.323 -14.570 312 2HB ARG 73 3HB ARG 73 -3.208 -4.123 -13.436 313 1HG ARG 73 2HG ARG 73 -4.673 -3.522 -15.409 314 2HG ARG 73 3HG ARG 73 -3.283 -3.804 -16.471 315 1HD ARG 73 2HD ARG 73 -4.314 -5.863 -16.639 316 2HD ARG 73 3HD ARG 73 -3.123 -6.150 -15.394 317 HE ARG 73 HE ARG 73 -4.777 -6.500 -13.841 318 1HH1 ARG 73 2HH2 ARG 73 -6.167 -4.827 -16.594 319 2HH1 ARG 73 1HH2 ARG 73 -7.826 -5.184 -16.218 320 1HH2 ARG 73 1HH1 ARG 73 -6.980 -7.006 -13.263 321 2HH2 ARG 73 2HH1 ARG 73 -8.288 -6.441 -14.247 322 H ASP 74 H ASP 74 0.036 -2.185 -15.129 323 HA ASP 74 HA ASP 74 -0.593 -0.506 -17.463 324 1HB ASP 74 2HB ASP 74 1.913 -1.730 -16.286 325 2HB ASP 74 3HB ASP 74 1.927 -1.051 -17.915 326 HA PRO 75 HA PRO 75 -0.907 -3.981 -20.244 327 1HB PRO 75 2HB PRO 75 -0.139 -2.893 -22.652 328 2HB PRO 75 3HB PRO 75 -1.630 -2.370 -21.818 329 1HG PRO 75 2HG PRO 75 1.107 -1.059 -21.676 330 2HG PRO 75 3HG PRO 75 -0.452 -0.276 -22.074 331 1HD PRO 75 2HD PRO 75 0.554 -0.208 -19.560 332 2HD PRO 75 3HD PRO 75 -1.197 -0.432 -19.820 333 H ASN 76 H ASN 76 1.942 -3.021 -18.983 334 HA ASN 76 HA ASN 76 3.703 -4.822 -20.474 335 1HB ASN 76 2HB ASN 76 3.839 -3.731 -17.642 336 2HB ASN 76 3HB ASN 76 5.142 -4.567 -18.521 337 1HD2 ASN 76 1HD2 ASN 76 4.048 -1.503 -17.611 338 2HD2 ASN 76 2HD2 ASN 76 4.853 -0.594 -18.867 339 H SER 77 H SER 77 1.119 -5.043 -18.101 340 HA SER 77 HA SER 77 0.171 -6.705 -16.979 341 1HB SER 77 2HB SER 77 1.952 -8.686 -18.451 342 2HB SER 77 3HB SER 77 0.459 -9.023 -17.581 343 HG SER 77 HG SER 77 0.297 -8.710 -19.949 344 H LEU 78 H LEU 78 3.062 -5.588 -16.319 345 HA LEU 78 HA LEU 78 3.404 -7.314 -13.926 346 1HB LEU 78 2HB LEU 78 5.845 -6.801 -14.012 347 2HB LEU 78 3HB LEU 78 5.142 -8.055 -15.025 348 HG LEU 78 HG LEU 78 5.178 -6.536 -16.991 349 1HD1 LEU 78 1HD1 LEU 78 5.117 -4.382 -15.975 350 2HD1 LEU 78 2HD1 LEU 78 6.558 -4.706 -14.987 351 3HD1 LEU 78 3HD1 LEU 78 6.697 -4.500 -16.753 352 1HD2 LEU 78 1HD2 LEU 78 7.584 -6.708 -17.335 353 2HD2 LEU 78 2HD2 LEU 78 7.828 -6.977 -15.589 354 3HD2 LEU 78 3HD2 LEU 78 6.932 -8.167 -16.563 355 H HIS 79 H HID 79 3.353 -3.921 -15.080 356 HA HIS 79 HA HID 79 4.000 -3.052 -12.316 357 1HB HIS 79 2HB HID 79 3.554 -1.573 -14.915 358 2HB HIS 79 3HB HID 79 3.576 -0.768 -13.349 359 HD1 HIS 79 1HD HID 79 5.990 -0.848 -12.014 360 HD2 HIS 79 2HD HID 79 5.869 -1.991 -16.061 361 HE1 HIS 79 1HE HID 79 8.383 -0.722 -12.882 362 H VAL 80 H VAL 80 2.409 -2.660 -10.870 363 HA VAL 80 HA VAL 80 -0.299 -2.013 -11.845 364 HB VAL 80 HB VAL 80 -1.291 -3.558 -10.194 365 1HG1 VAL 80 1HG1 VAL 80 0.473 -5.120 -12.099 366 2HG1 VAL 80 2HG1 VAL 80 -1.121 -5.572 -11.459 367 3HG1 VAL 80 3HG1 VAL 80 -0.970 -4.211 -12.580 368 1HG2 VAL 80 1HG2 VAL 80 1.569 -4.491 -9.747 369 2HG2 VAL 80 2HG2 VAL 80 0.308 -4.021 -8.560 370 3HG2 VAL 80 3HG2 VAL 80 0.175 -5.524 -9.484 371 H GLN 81 H GLN 81 -1.453 -0.693 -10.477 372 HA GLN 81 HA GLN 81 -0.176 0.099 -7.931 373 1HB GLN 81 2HB GLN 81 -0.434 2.542 -8.541 374 2HB GLN 81 3HB GLN 81 0.958 1.696 -9.225 375 1HG GLN 81 2HG GLN 81 0.158 1.723 -11.383 376 2HG GLN 81 3HG GLN 81 -1.526 1.741 -10.876 377 1HE2 GLN 81 1HE2 GLN 81 -2.503 3.751 -10.116 378 2HE2 GLN 81 2HE2 GLN 81 -1.785 5.278 -10.604 379 H PHE 82 H PHE 82 -1.589 1.090 -6.465 380 HA PHE 82 HA PHE 82 -4.419 1.260 -7.199 381 1HB PHE 82 2HB PHE 82 -5.180 -0.608 -5.920 382 2HB PHE 82 3HB PHE 82 -3.962 -1.178 -7.056 383 HD1 PHE 82 1HD PHE 82 -1.516 -1.500 -6.173 384 HD2 PHE 82 2HD PHE 82 -4.985 -1.171 -3.616 385 HE1 PHE 82 1HE PHE 82 -0.205 -2.376 -4.274 386 HE2 PHE 82 2HE PHE 82 -3.706 -2.238 -1.783 387 HZ PHE 82 HZ PHE 82 -1.298 -2.733 -2.061 388 H ALA 83 H ALA 83 -5.758 1.892 -5.393 389 HA ALA 83 HA ALA 83 -4.222 3.252 -3.246 390 1HB ALA 83 1HB ALA 83 -6.020 4.806 -2.996 391 2HB ALA 83 2HB ALA 83 -5.563 4.795 -4.709 392 3HB ALA 83 3HB ALA 83 -7.027 3.940 -4.161 393 H VAL 84 H VAL 84 -4.939 3.074 -1.193 394 HA VAL 84 HA VAL 84 -6.929 0.928 -0.569 395 HB VAL 84 HB VAL 84 -4.412 1.659 1.003 396 1HG1 VAL 84 1HG1 VAL 84 -6.238 -0.743 1.381 397 2HG1 VAL 84 2HG1 VAL 84 -4.935 -0.187 2.439 398 3HG1 VAL 84 3HG1 VAL 84 -6.440 0.749 2.315 399 1HG2 VAL 84 1HG2 VAL 84 -5.057 -0.753 -0.736 400 2HG2 VAL 84 2HG2 VAL 84 -3.770 0.437 -1.039 401 3HG2 VAL 84 3HG2 VAL 84 -3.652 -0.651 0.351 402 H HIS 85 H HID 85 -8.559 1.651 0.806 403 HA HIS 85 HA HID 85 -8.164 3.893 2.553 404 1HB HIS 85 2HB HID 85 -9.472 5.521 1.623 405 2HB HIS 85 3HB HID 85 -8.816 4.867 0.138 406 HD1 HIS 85 1HD HID 85 -12.024 4.505 2.327 407 HD2 HIS 85 2HD HID 85 -10.685 4.531 -1.649 408 HE1 HIS 85 1HE HID 85 -14.102 4.339 0.860 409 H ASP 86 H ASP 86 -10.181 4.080 3.963 410 HA ASP 86 HA ASP 86 -12.249 2.108 3.634 411 1HB ASP 86 2HB ASP 86 -10.363 0.794 4.772 412 2HB ASP 86 3HB ASP 86 -10.483 1.906 6.137 413 H SER 87 H SER 87 -13.711 2.447 5.776 414 HA SER 87 HA SER 87 -14.536 5.157 5.806 415 1HB SER 87 2HB SER 87 -15.876 4.481 7.811 416 2HB SER 87 3HB SER 87 -16.024 3.377 6.432 417 HG SER 87 HG SER 87 -14.484 2.968 8.781 418 H LEU 88 H LEU 88 -12.360 3.414 7.977 419 HA LEU 88 HA LEU 88 -11.223 6.014 8.888 420 1HB LEU 88 2HB LEU 88 -11.935 3.592 10.519 421 2HB LEU 88 3HB LEU 88 -10.571 4.577 11.032 422 HG LEU 88 HG LEU 88 -13.351 5.731 10.619 423 1HD1 LEU 88 1HD1 LEU 88 -11.885 4.901 13.165 424 2HD1 LEU 88 2HD1 LEU 88 -13.438 5.762 13.098 425 3HD1 LEU 88 3HD1 LEU 88 -13.320 4.106 12.478 426 1HD2 LEU 88 1HD2 LEU 88 -11.643 7.480 10.416 427 2HD2 LEU 88 2HD2 LEU 88 -12.330 7.593 12.033 428 3HD2 LEU 88 3HD2 LEU 88 -10.748 6.825 11.803 429 H GLY 89 H GLY 89 -10.595 4.535 6.569 430 1HA GLY 89 1HA GLY 89 -7.839 3.520 7.185 431 2HA GLY 89 2HA GLY 89 -8.735 3.256 5.696 432 H GLY 90 H GLY 90 -9.321 6.445 6.679 433 1HA GLY 90 1HA GLY 90 -8.743 8.423 5.653 434 2HA GLY 90 2HA GLY 90 -7.059 7.903 5.833 435 H GLU 91 H GLU 91 -5.947 7.655 3.904 436 HA GLU 91 HA GLU 91 -6.965 6.109 1.763 437 1HB GLU 91 2HB GLU 91 -8.060 8.317 1.184 438 2HB GLU 91 3HB GLU 91 -6.461 9.073 1.182 439 1HG GLU 91 2HG GLU 91 -5.786 7.583 -0.707 440 2HG GLU 91 3HG GLU 91 -7.392 6.828 -0.665 441 H ILE 92 H ILE 92 -5.094 5.364 0.540 442 HA ILE 92 HA ILE 92 -2.811 7.084 0.418 443 HB ILE 92 HB ILE 92 -2.717 5.350 2.570 444 1HG1 ILE 92 2HG1 ILE 92 -1.331 7.250 2.456 445 2HG1 ILE 92 3HG1 ILE 92 -0.327 5.824 2.713 446 1HG2 ILE 92 1HG2 ILE 92 -2.562 3.359 1.158 447 2HG2 ILE 92 2HG2 ILE 92 -1.042 3.959 0.458 448 3HG2 ILE 92 3HG2 ILE 92 -1.142 3.589 2.183 449 1HD1 ILE 92 1HD1 ILE 92 -0.561 7.493 0.194 450 2HD1 ILE 92 2HD1 ILE 92 0.836 7.218 1.230 451 3HD1 ILE 92 3HD1 ILE 92 0.234 5.894 0.221 452 H LEU 93 H LEU 93 -1.275 6.355 -1.259 453 HA LEU 93 HA LEU 93 -2.485 4.466 -3.203 454 1HB LEU 93 2HB LEU 93 -1.247 7.163 -3.438 455 2HB LEU 93 3HB LEU 93 -0.610 6.000 -4.594 456 HG LEU 93 HG LEU 93 -3.596 6.443 -4.257 457 1HD1 LEU 93 1HD1 LEU 93 -3.438 7.895 -6.263 458 2HD1 LEU 93 2HD1 LEU 93 -2.557 8.587 -4.890 459 3HD1 LEU 93 3HD1 LEU 93 -1.665 7.787 -6.203 460 1HD2 LEU 93 1HD2 LEU 93 -2.881 4.347 -5.419 461 2HD2 LEU 93 2HD2 LEU 93 -3.657 5.464 -6.545 462 3HD2 LEU 93 3HD2 LEU 93 -1.889 5.296 -6.534 463 H VAL 94 H VAL 94 -1.282 2.731 -3.833 464 HA VAL 94 HA VAL 94 1.499 2.445 -2.792 465 HB VAL 94 HB VAL 94 -0.588 0.267 -3.146 466 1HG1 VAL 94 1HG1 VAL 94 0.920 -1.018 -1.649 467 2HG1 VAL 94 2HG1 VAL 94 1.773 -0.500 -3.106 468 3HG1 VAL 94 3HG1 VAL 94 2.027 0.365 -1.578 469 1HG2 VAL 94 1HG2 VAL 94 0.025 1.842 -0.632 470 2HG2 VAL 94 2HG2 VAL 94 -1.543 1.669 -1.446 471 3HG2 VAL 94 3HG2 VAL 94 -0.813 0.275 -0.646 472 H THR 95 H THR 95 2.998 1.409 -4.238 473 HA THR 95 HA THR 95 2.003 0.910 -7.004 474 HB THR 95 HB THR 95 4.348 1.666 -7.631 475 HG1 THR 95 1HG THR 95 5.137 3.125 -5.755 476 1HG2 THR 95 1HG2 THR 95 3.893 4.057 -7.443 477 2HG2 THR 95 2HG2 THR 95 2.382 3.209 -7.821 478 3HG2 THR 95 3HG2 THR 95 2.697 3.778 -6.165 479 H TYR 96 H TYR 96 2.899 -0.923 -8.039 480 HA TYR 96 HA TYR 96 4.791 -2.622 -6.521 481 1HB TYR 96 2HB TYR 96 2.298 -3.023 -5.954 482 2HB TYR 96 3HB TYR 96 2.149 -3.622 -7.585 483 HD1 TYR 96 HD1 TYR 96 1.951 -4.847 -4.565 484 HD2 TYR 96 HD2 TYR 96 4.738 -5.247 -7.824 485 HE1 TYR 96 HE1 TYR 96 2.466 -7.176 -3.917 486 HE2 TYR 96 HE2 TYR 96 5.023 -7.626 -7.276 487 HH TYR 96 HH TYR 96 4.065 -8.916 -4.290 488 H ASP 97 H ASP 97 6.418 -2.836 -8.035 489 HA ASP 97 HA ASP 97 5.808 -2.723 -10.891 490 1HB ASP 97 2HB ASP 97 8.275 -2.474 -11.030 491 2HB ASP 97 3HB ASP 97 7.513 -1.248 -10.008 492 H ASP 98 H ASP 98 4.755 -5.067 -9.861 493 HA ASP 98 HA ASP 98 5.821 -6.926 -11.579 494 1HB ASP 98 2HB ASP 98 7.506 -7.076 -9.452 495 2HB ASP 98 3HB ASP 98 6.239 -8.149 -8.867 496 H LEU 99 H LEU 99 4.711 -9.198 -10.980 497 HA LEU 99 HA LEU 99 1.885 -8.545 -11.019 498 1HB LEU 99 2HB LEU 99 3.360 -11.214 -11.081 499 2HB LEU 99 3HB LEU 99 1.607 -11.074 -11.104 500 HG LEU 99 HG LEU 99 2.160 -9.329 -13.105 501 1HD1 LEU 99 1HD1 LEU 99 4.599 -9.759 -13.077 502 2HD1 LEU 99 2HD1 LEU 99 4.303 -11.494 -13.311 503 3HD1 LEU 99 3HD1 LEU 99 3.868 -10.331 -14.580 504 1HD2 LEU 99 1HD2 LEU 99 1.567 -11.158 -14.647 505 2HD2 LEU 99 2HD2 LEU 99 1.863 -12.346 -13.356 506 3HD2 LEU 99 3HD2 LEU 99 0.547 -11.158 -13.200 507 H LEU 100 H LEU 100 0.245 -9.736 -9.805 508 HA LEU 100 HA LEU 100 0.805 -9.613 -6.889 509 1HB LEU 100 2HB LEU 100 -1.569 -8.886 -8.670 510 2HB LEU 100 3HB LEU 100 -1.799 -9.090 -6.939 511 HG LEU 100 HG LEU 100 0.245 -7.160 -8.111 512 1HD1 LEU 100 1HD1 LEU 100 -2.024 -6.477 -8.843 513 2HD1 LEU 100 2HD1 LEU 100 -2.637 -6.703 -7.195 514 3HD1 LEU 100 3HD1 LEU 100 -1.481 -5.402 -7.538 515 1HD2 LEU 100 1HD2 LEU 100 -0.017 -6.137 -5.810 516 2HD2 LEU 100 2HD2 LEU 100 -0.981 -7.569 -5.387 517 3HD2 LEU 100 3HD2 LEU 100 0.717 -7.751 -5.820 518 HA PRO 101 HA PRO 101 -0.631 -13.777 -6.552 519 1HB PRO 101 2HB PRO 101 -1.802 -13.888 -4.071 520 2HB PRO 101 3HB PRO 101 -0.061 -13.629 -4.335 521 1HG PRO 101 2HG PRO 101 -2.139 -11.468 -3.839 522 2HG PRO 101 3HG PRO 101 -0.593 -11.714 -3.004 523 1HD PRO 101 2HD PRO 101 -0.834 -9.972 -5.062 524 2HD PRO 101 3HD PRO 101 0.638 -10.967 -4.900 525 H ASP 102 H ASP 102 -3.454 -12.588 -4.735 526 HA ASP 102 HA ASP 102 -5.326 -13.888 -6.479 527 1HB ASP 102 2HB ASP 102 -5.478 -12.053 -4.050 528 2HB ASP 102 3HB ASP 102 -6.953 -12.540 -4.890 529 H LEU 103 H LEU 103 -3.832 -11.965 -7.980 530 HA LEU 103 HA LEU 103 -3.680 -10.068 -9.046 531 1HB LEU 103 2HB LEU 103 -5.156 -9.759 -10.747 532 2HB LEU 103 3HB LEU 103 -5.407 -11.437 -10.307 533 HG LEU 103 HG LEU 103 -7.294 -9.860 -8.767 534 1HD1 LEU 103 1HD1 LEU 103 -7.296 -9.155 -11.722 535 2HD1 LEU 103 2HD1 LEU 103 -8.520 -8.698 -10.514 536 3HD1 LEU 103 3HD1 LEU 103 -6.877 -8.048 -10.393 537 1HD2 LEU 103 1HD2 LEU 103 -8.954 -11.114 -10.048 538 2HD2 LEU 103 2HD2 LEU 103 -7.709 -11.622 -11.210 539 3HD2 LEU 103 3HD2 LEU 103 -7.636 -12.177 -9.520 540 H PHE 104 H PHE 104 -5.284 -9.824 -6.238 541 HA PHE 104 HA PHE 104 -6.283 -8.385 -4.971 542 1HB PHE 104 2HB PHE 104 -5.015 -6.268 -6.666 543 2HB PHE 104 3HB PHE 104 -6.047 -5.963 -5.275 544 HD1 PHE 104 1HD PHE 104 -3.645 -4.642 -5.113 545 HD2 PHE 104 2HD PHE 104 -4.278 -8.844 -4.249 546 HE1 PHE 104 1HE PHE 104 -1.556 -4.734 -3.813 547 HE2 PHE 104 2HE PHE 104 -2.354 -8.814 -2.737 548 HZ PHE 104 HZ PHE 104 -1.043 -6.716 -2.448 549 H ARG 105 H ARG 105 -8.225 -8.914 -5.172 550 HA ARG 105 HA ARG 105 -9.989 -8.305 -7.356 551 1HB ARG 105 2HB ARG 105 -10.615 -8.744 -4.404 552 2HB ARG 105 3HB ARG 105 -11.791 -8.822 -5.699 553 1HG ARG 105 2HG ARG 105 -9.365 -10.670 -5.759 554 2HG ARG 105 3HG ARG 105 -10.713 -11.023 -4.682 555 1HD ARG 105 2HD ARG 105 -11.064 -10.552 -7.661 556 2HD ARG 105 3HD ARG 105 -10.831 -12.147 -6.890 557 HE ARG 105 HE ARG 105 -12.946 -10.630 -5.630 558 1HH1 ARG 105 2HH2 ARG 105 -12.272 -12.522 -8.498 559 2HH1 ARG 105 1HH2 ARG 105 -13.875 -13.172 -8.676 560 1HH2 ARG 105 1HH1 ARG 105 -15.104 -11.423 -5.812 561 2HH2 ARG 105 2HH1 ARG 105 -15.543 -12.495 -7.101 562 H GLU 106 H GLU 106 -11.879 -6.886 -7.156 563 HA GLU 106 HA GLU 106 -10.904 -4.219 -6.875 564 1HB GLU 106 2HB GLU 106 -13.762 -4.902 -7.574 565 2HB GLU 106 3HB GLU 106 -12.718 -3.611 -8.148 566 1HG GLU 106 2HG GLU 106 -12.752 -4.983 -10.003 567 2HG GLU 106 3HG GLU 106 -11.306 -5.620 -9.217 568 H GLY 107 H GLY 107 -10.745 -4.756 -4.457 569 1HA GLY 107 1HA GLY 107 -11.421 -3.506 -2.479 570 2HA GLY 107 2HA GLY 107 -13.114 -3.648 -2.947 571 H GLN 108 H GLN 108 -10.225 -5.702 -2.364 572 HA GLN 108 HA GLN 108 -11.776 -7.184 -0.303 573 1HB GLN 108 2HB GLN 108 -10.262 -9.059 -0.546 574 2HB GLN 108 3HB GLN 108 -11.122 -8.761 -2.060 575 1HG GLN 108 2HG GLN 108 -9.100 -7.628 -2.984 576 2HG GLN 108 3HG GLN 108 -8.273 -7.862 -1.442 577 1HE2 GLN 108 1HE2 GLN 108 -6.621 -8.976 -2.828 578 2HE2 GLN 108 2HE2 GLN 108 -6.923 -10.670 -3.197 579 H GLY 109 H GLY 109 -10.192 -7.832 1.501 580 1HA GLY 109 1HA GLY 109 -8.490 -5.480 2.105 581 2HA GLY 109 2HA GLY 109 -9.305 -6.433 3.283 582 H ILE 110 H ILE 110 -6.403 -5.609 2.617 583 HA ILE 110 HA ILE 110 -5.026 -8.254 2.404 584 HB ILE 110 HB ILE 110 -3.719 -7.544 0.604 585 1HG1 ILE 110 2HG1 ILE 110 -5.444 -5.002 0.491 586 2HG1 ILE 110 3HG1 ILE 110 -3.729 -5.098 0.956 587 1HG2 ILE 110 1HG2 ILE 110 -5.951 -8.723 0.236 588 2HG2 ILE 110 2HG2 ILE 110 -6.599 -7.128 -0.222 589 3HG2 ILE 110 3HG2 ILE 110 -5.296 -7.880 -1.163 590 1HD1 ILE 110 1HD1 ILE 110 -3.308 -6.270 -1.187 591 2HD1 ILE 110 2HD1 ILE 110 -4.907 -5.739 -1.754 592 3HD1 ILE 110 3HD1 ILE 110 -3.667 -4.533 -1.332 593 H VAL 111 H VAL 111 -2.662 -7.926 2.627 594 HA VAL 111 HA VAL 111 -1.879 -5.473 4.086 595 HB VAL 111 HB VAL 111 -0.287 -6.989 5.365 596 1HG1 VAL 111 1HG1 VAL 111 -2.119 -5.892 6.501 597 2HG1 VAL 111 2HG1 VAL 111 -3.274 -7.130 5.962 598 3HG1 VAL 111 3HG1 VAL 111 -1.985 -7.545 7.112 599 1HG2 VAL 111 1HG2 VAL 111 -0.759 -9.022 3.960 600 2HG2 VAL 111 2HG2 VAL 111 -0.895 -9.311 5.707 601 3HG2 VAL 111 3HG2 VAL 111 -2.357 -9.142 4.720 602 H ALA 112 H ALA 112 0.031 -4.645 3.477 603 HA ALA 112 HA ALA 112 1.624 -6.049 1.380 604 1HB ALA 112 1HB ALA 112 0.746 -3.127 1.310 605 2HB ALA 112 2HB ALA 112 1.685 -3.962 0.075 606 3HB ALA 112 3HB ALA 112 -0.023 -4.399 0.342 607 H GLN 113 H GLN 113 3.829 -5.734 1.520 608 HA GLN 113 HA GLN 113 4.883 -3.775 3.488 609 1HB GLN 113 2HB GLN 113 4.739 -5.981 4.538 610 2HB GLN 113 3HB GLN 113 5.499 -6.751 3.166 611 1HG GLN 113 2HG GLN 113 7.156 -4.585 4.427 612 2HG GLN 113 3HG GLN 113 6.816 -5.963 5.453 613 1HE2 GLN 113 1HE2 GLN 113 7.037 -8.194 4.437 614 2HE2 GLN 113 2HE2 GLN 113 8.547 -8.404 3.581 615 H GLY 114 H GLY 114 6.879 -2.861 2.934 616 1HA GLY 114 1HA GLY 114 8.743 -4.137 1.288 617 2HA GLY 114 2HA GLY 114 7.908 -3.010 0.224 618 H VAL 115 H VAL 115 8.372 -0.793 0.350 619 HA VAL 115 HA VAL 115 9.443 0.355 2.733 620 HB VAL 115 HB VAL 115 11.486 -0.778 1.831 621 1HG1 VAL 115 1HG1 VAL 115 12.541 -0.087 -0.228 622 2HG1 VAL 115 2HG1 VAL 115 10.906 -0.653 -0.600 623 3HG1 VAL 115 3HG1 VAL 115 11.255 1.089 -0.556 624 1HG2 VAL 115 1HG2 VAL 115 13.044 1.070 1.864 625 2HG2 VAL 115 2HG2 VAL 115 11.697 2.216 1.810 626 3HG2 VAL 115 3HG2 VAL 115 11.879 1.106 3.184 627 H LEU 116 H LEU 116 9.461 2.643 2.622 628 HA LEU 116 HA LEU 116 7.839 3.834 0.480 629 1HB LEU 116 2HB LEU 116 9.436 4.934 2.840 630 2HB LEU 116 3HB LEU 116 8.798 5.996 1.572 631 HG LEU 116 HG LEU 116 7.415 6.034 3.516 632 1HD1 LEU 116 1HD1 LEU 116 6.098 4.799 1.070 633 2HD1 LEU 116 2HD1 LEU 116 5.242 5.677 2.315 634 3HD1 LEU 116 3HD1 LEU 116 6.450 6.512 1.324 635 1HD2 LEU 116 1HD2 LEU 116 7.748 3.787 4.381 636 2HD2 LEU 116 2HD2 LEU 116 6.026 4.134 4.177 637 3HD2 LEU 116 3HD2 LEU 116 6.869 3.088 3.007 638 H GLY 117 H GLY 117 8.556 4.961 -1.339 639 1HA GLY 117 1HA GLY 117 11.317 5.949 -1.350 640 2HA GLY 117 2HA GLY 117 11.073 4.578 -2.443 641 H GLU 118 H GLU 118 8.385 6.818 -1.912 642 HA GLU 118 HA GLU 118 8.947 8.265 -4.434 643 1HB GLU 118 2HB GLU 118 6.431 6.667 -3.834 644 2HB GLU 118 3HB GLU 118 6.749 7.618 -5.299 645 1HG GLU 118 2HG GLU 118 8.685 6.026 -5.749 646 2HG GLU 118 3HG GLU 118 8.089 5.037 -4.398 647 H ASP 119 H ASP 119 9.220 9.217 -1.966 648 HA ASP 119 HA ASP 119 8.302 10.445 -0.228 649 1HB ASP 119 2HB ASP 119 9.786 11.658 -1.879 650 2HB ASP 119 3HB ASP 119 8.321 12.349 -2.600 651 H GLY 120 H GLY 120 6.298 9.206 -0.154 652 1HA GLY 120 1HA GLY 120 3.983 10.274 0.499 653 2HA GLY 120 2HA GLY 120 3.876 10.562 -1.242 654 H LYS 121 H LYS 121 5.117 8.154 -2.242 655 HA LYS 121 HA LYS 121 2.851 6.291 -1.593 656 1HB LYS 121 2HB LYS 121 4.340 6.477 -4.231 657 2HB LYS 121 3HB LYS 121 3.034 5.394 -3.804 658 1HG LYS 121 2HG LYS 121 2.130 7.084 -5.137 659 2HG LYS 121 3HG LYS 121 1.514 7.365 -3.501 660 1HD LYS 121 2HD LYS 121 2.747 9.322 -3.232 661 2HD LYS 121 3HD LYS 121 4.066 8.752 -4.279 662 1HE LYS 121 2HE LYS 121 2.596 9.094 -6.277 663 2HE LYS 121 3HE LYS 121 1.372 9.817 -5.213 664 1HZ LYS 121 1HZ LYS 121 3.019 11.483 -4.606 665 2HZ LYS 121 2HZ LYS 121 4.142 10.781 -5.577 666 3HZ LYS 121 3HZ LYS 121 2.800 11.466 -6.239 667 H LEU 122 H LEU 122 3.330 4.003 -1.951 668 HA LEU 122 HA LEU 122 5.963 3.339 -0.725 669 1HB LEU 122 2HB LEU 122 3.508 1.671 -0.261 670 2HB LEU 122 3HB LEU 122 4.987 1.829 0.673 671 HG LEU 122 HG LEU 122 3.969 4.392 0.909 672 1HD1 LEU 122 1HD1 LEU 122 1.589 4.272 1.272 673 2HD1 LEU 122 2HD1 LEU 122 1.959 3.783 -0.394 674 3HD1 LEU 122 3HD1 LEU 122 1.570 2.553 0.825 675 1HD2 LEU 122 1HD2 LEU 122 3.182 3.723 3.106 676 2HD2 LEU 122 2HD2 LEU 122 3.181 2.008 2.619 677 3HD2 LEU 122 3HD2 LEU 122 4.703 2.891 2.741 678 H ALA 123 H ALA 123 7.159 1.774 -1.726 679 HA ALA 123 HA ALA 123 5.984 0.463 -4.137 680 1HB ALA 123 1HB ALA 123 8.337 0.026 -4.727 681 2HB ALA 123 2HB ALA 123 8.017 1.761 -4.534 682 3HB ALA 123 3HB ALA 123 8.876 0.873 -3.257 683 H ALA 124 H ALA 124 4.903 -1.287 -3.291 684 HA ALA 124 HA ALA 124 6.257 -2.856 -1.095 685 1HB ALA 124 1HB ALA 124 3.352 -2.072 -1.326 686 2HB ALA 124 2HB ALA 124 4.067 -3.118 -0.080 687 3HB ALA 124 3HB ALA 124 4.552 -1.413 -0.189 688 H THR 125 H THR 125 7.048 -4.539 -2.310 689 HA THR 125 HA THR 125 5.245 -5.960 -4.090 690 HB THR 125 HB THR 125 7.457 -5.665 -4.857 691 HG1 THR 125 1HG THR 125 6.296 -7.665 -5.304 692 1HG2 THR 125 1HG2 THR 125 8.758 -5.620 -2.746 693 2HG2 THR 125 2HG2 THR 125 8.398 -7.345 -2.486 694 3HG2 THR 125 3HG2 THR 125 9.380 -6.836 -3.869 695 H GLU 126 H GLU 126 6.323 -6.436 -0.689 696 HA GLU 126 HA GLU 126 5.652 -9.310 -0.891 697 1HB GLU 126 2HB GLU 126 7.586 -8.737 0.402 698 2HB GLU 126 3HB GLU 126 6.660 -7.602 1.396 699 1HG GLU 126 2HG GLU 126 7.077 -9.754 2.569 700 2HG GLU 126 3HG GLU 126 5.345 -9.496 2.336 701 H VAL 127 H VAL 127 3.459 -9.448 -1.259 702 HA VAL 127 HA VAL 127 1.635 -8.087 0.673 703 HB VAL 127 HB VAL 127 -0.050 -7.997 -1.020 704 1HG1 VAL 127 1HG1 VAL 127 2.593 -6.611 -1.694 705 2HG1 VAL 127 2HG1 VAL 127 1.068 -6.199 -2.493 706 3HG1 VAL 127 3HG1 VAL 127 1.215 -6.025 -0.762 707 1HG2 VAL 127 1HG2 VAL 127 0.465 -9.812 -2.497 708 2HG2 VAL 127 2HG2 VAL 127 0.553 -8.345 -3.452 709 3HG2 VAL 127 3HG2 VAL 127 2.049 -9.145 -2.918 710 H LEU 128 H LEU 128 0.139 -9.227 1.678 711 HA LEU 128 HA LEU 128 0.000 -12.164 1.044 712 1HB LEU 128 2HB LEU 128 -0.471 -11.153 3.826 713 2HB LEU 128 3HB LEU 128 -0.137 -12.752 3.229 714 HG LEU 128 HG LEU 128 1.713 -12.099 4.452 715 1HD1 LEU 128 1HD1 LEU 128 2.696 -11.644 1.623 716 2HD1 LEU 128 2HD1 LEU 128 3.562 -12.332 2.990 717 3HD1 LEU 128 3HD1 LEU 128 2.217 -13.229 2.261 718 1HD2 LEU 128 1HD2 LEU 128 2.102 -9.510 2.903 719 2HD2 LEU 128 2HD2 LEU 128 1.405 -9.661 4.529 720 3HD2 LEU 128 3HD2 LEU 128 3.076 -10.144 4.222 721 H ALA 129 H ALA 129 -1.830 -12.254 -0.128 722 HA ALA 129 HA ALA 129 -4.258 -10.750 0.627 723 1HB ALA 129 1HB ALA 129 -3.793 -11.085 -1.749 724 2HB ALA 129 2HB ALA 129 -3.734 -12.846 -1.515 725 3HB ALA 129 3HB ALA 129 -5.258 -11.966 -1.272 726 H LYS 130 H LYS 130 -5.137 -11.495 2.516 727 HA LYS 130 HA LYS 130 -6.043 -14.274 2.647 728 1HB LYS 130 2HB LYS 130 -5.019 -14.629 4.938 729 2HB LYS 130 3HB LYS 130 -3.972 -14.737 3.549 730 1HG LYS 130 2HG LYS 130 -2.785 -13.655 5.312 731 2HG LYS 130 3HG LYS 130 -2.981 -12.579 3.941 732 1HD LYS 130 2HD LYS 130 -3.273 -11.284 5.952 733 2HD LYS 130 3HD LYS 130 -4.807 -11.385 5.111 734 1HE LYS 130 2HE LYS 130 -5.372 -11.704 7.387 735 2HE LYS 130 3HE LYS 130 -5.416 -13.332 6.718 736 1HZ LYS 130 1HZ LYS 130 -3.104 -12.401 8.243 737 2HZ LYS 130 2HZ LYS 130 -4.372 -13.354 8.748 738 3HZ LYS 130 3HZ LYS 130 -3.483 -13.934 7.613 739 H HIS 131 H HID 131 -7.524 -12.064 2.200 740 HA HIS 131 HA HID 131 -8.352 -10.470 4.241 741 1HB HIS 131 2HB HID 131 -10.356 -10.058 3.036 742 2HB HIS 131 3HB HID 131 -9.089 -10.366 1.844 743 HD1 HIS 131 1HD HID 131 -12.521 -11.436 2.654 744 HD2 HIS 131 2HD HID 131 -9.051 -13.169 1.032 745 HE1 HIS 131 1HE HID 131 -13.270 -13.533 1.413 746 H ASP 132 H ASP 132 -9.569 -13.766 3.655 747 HA ASP 132 HA ASP 132 -10.747 -13.881 6.381 748 1HB ASP 132 2HB ASP 132 -12.569 -13.482 4.770 749 2HB ASP 132 3HB ASP 132 -12.005 -14.843 3.777 Start of MODEL 25 1 H SER 32 H SER 32 11.671 -2.150 17.697 2 HA SER 32 HA SER 32 11.600 -1.148 15.002 3 1HB SER 32 2HB SER 32 9.140 -2.041 15.380 4 2HB SER 32 3HB SER 32 10.510 -3.166 15.284 5 HG SER 32 HG SER 32 9.148 -3.561 17.126 6 H ASN 33 H ASN 33 10.327 0.507 14.179 7 HA ASN 33 HA ASN 33 8.446 1.956 15.788 8 1HB ASN 33 2HB ASN 33 11.158 2.827 16.074 9 2HB ASN 33 3HB ASN 33 10.432 3.970 14.951 10 1HD2 ASN 33 1HD2 ASN 33 9.667 2.223 17.988 11 2HD2 ASN 33 2HD2 ASN 33 8.904 3.601 18.790 12 H LEU 34 H LEU 34 6.901 2.378 14.342 13 HA LEU 34 HA LEU 34 5.825 2.963 12.421 14 1HB LEU 34 2HB LEU 34 8.384 4.427 11.692 15 2HB LEU 34 3HB LEU 34 6.762 4.777 11.119 16 HG LEU 34 HG LEU 34 7.267 4.899 14.124 17 1HD1 LEU 34 1HD1 LEU 34 8.171 6.992 12.150 18 2HD1 LEU 34 2HD1 LEU 34 8.057 7.195 13.920 19 3HD1 LEU 34 3HD1 LEU 34 9.195 6.031 13.229 20 1HD2 LEU 34 1HD2 LEU 34 5.610 6.659 14.014 21 2HD2 LEU 34 2HD2 LEU 34 5.591 6.580 12.240 22 3HD2 LEU 34 3HD2 LEU 34 4.985 5.212 13.196 23 H ASN 35 H ASN 35 6.322 0.557 12.261 24 HA ASN 35 HA ASN 35 7.525 -0.246 9.728 25 1HB ASN 35 2HB ASN 35 8.298 -1.694 12.279 26 2HB ASN 35 3HB ASN 35 8.900 -1.966 10.646 27 1HD2 ASN 35 1HD2 ASN 35 9.359 0.991 10.133 28 2HD2 ASN 35 2HD2 ASN 35 10.726 1.369 11.143 29 H LEU 36 H LEU 36 7.126 -2.931 9.916 30 HA LEU 36 HA LEU 36 5.670 -4.589 9.954 31 1HB LEU 36 2HB LEU 36 4.684 -5.141 11.988 32 2HB LEU 36 3HB LEU 36 6.217 -4.384 12.349 33 HG LEU 36 HG LEU 36 3.770 -2.611 12.428 34 1HD1 LEU 36 1HD1 LEU 36 2.934 -4.608 13.434 35 2HD1 LEU 36 2HD1 LEU 36 4.381 -4.736 14.468 36 3HD1 LEU 36 3HD1 LEU 36 3.238 -3.381 14.686 37 1HD2 LEU 36 1HD2 LEU 36 6.317 -2.029 13.125 38 2HD2 LEU 36 2HD2 LEU 36 4.952 -1.428 14.057 39 3HD2 LEU 36 3HD2 LEU 36 5.864 -2.854 14.606 40 H PHE 37 H PHE 37 2.916 -4.715 11.025 41 HA PHE 37 HA PHE 37 1.702 -3.699 8.568 42 1HB PHE 37 2HB PHE 37 0.502 -5.244 10.905 43 2HB PHE 37 3HB PHE 37 -0.317 -4.872 9.401 44 HD1 PHE 37 1HD PHE 37 0.971 -5.651 7.185 45 HD2 PHE 37 2HD PHE 37 1.233 -7.493 11.070 46 HE1 PHE 37 1HE PHE 37 1.733 -7.777 6.134 47 HE2 PHE 37 2HE PHE 37 1.754 -9.662 9.998 48 HZ PHE 37 HZ PHE 37 2.056 -9.797 7.523 49 H TYR 38 H TYR 38 1.547 -1.541 8.621 50 HA TYR 38 HA TYR 38 -0.007 -0.323 10.873 51 1HB TYR 38 2HB TYR 38 2.501 0.460 9.678 52 2HB TYR 38 3HB TYR 38 1.298 1.677 9.284 53 HD1 TYR 38 HD1 TYR 38 0.184 2.985 11.066 54 HD2 TYR 38 HD2 TYR 38 2.922 -0.166 12.075 55 HE1 TYR 38 HE1 TYR 38 0.199 3.721 13.439 56 HE2 TYR 38 HE2 TYR 38 3.130 0.727 14.373 57 HH TYR 38 HH TYR 38 2.358 2.309 15.883 58 H THR 39 H THR 39 -1.484 1.415 10.314 59 HA THR 39 HA THR 39 -3.164 0.556 8.177 60 HB THR 39 HB THR 39 -4.482 2.592 9.169 61 HG1 THR 39 1HG THR 39 -3.634 3.240 11.188 62 1HG2 THR 39 1HG2 THR 39 -3.762 0.221 10.943 63 2HG2 THR 39 2HG2 THR 39 -5.187 1.272 11.109 64 3HG2 THR 39 3HG2 THR 39 -5.016 0.244 9.682 65 HA PRO 40 HA PRO 40 -1.762 3.527 5.129 66 1HB PRO 40 2HB PRO 40 -4.052 3.925 3.662 67 2HB PRO 40 3HB PRO 40 -3.042 2.455 3.579 68 1HG PRO 40 2HG PRO 40 -5.526 2.891 5.265 69 2HG PRO 40 3HG PRO 40 -5.168 1.511 4.171 70 1HD PRO 40 2HD PRO 40 -4.740 1.314 6.813 71 2HD PRO 40 3HD PRO 40 -3.529 0.666 5.661 72 H SER 41 H SER 41 -4.436 4.193 7.356 73 HA SER 41 HA SER 41 -4.848 6.954 6.782 74 1HB SER 41 2HB SER 41 -5.691 6.909 9.148 75 2HB SER 41 3HB SER 41 -6.406 5.711 8.035 76 HG SER 41 HG SER 41 -5.618 4.952 10.207 77 H GLU 42 H GLU 42 -3.120 5.463 9.473 78 HA GLU 42 HA GLU 42 -2.079 7.628 10.637 79 1HB GLU 42 2HB GLU 42 -1.704 4.948 11.013 80 2HB GLU 42 3HB GLU 42 -0.120 5.362 10.385 81 1HG GLU 42 2HG GLU 42 0.250 5.733 12.595 82 2HG GLU 42 3HG GLU 42 -0.326 7.367 12.155 83 H ILE 43 H ILE 43 -0.421 5.862 8.046 84 HA ILE 43 HA ILE 43 1.880 7.464 7.828 85 HB ILE 43 HB ILE 43 2.220 6.433 5.648 86 1HG1 ILE 43 2HG1 ILE 43 -0.395 5.008 6.200 87 2HG1 ILE 43 3HG1 ILE 43 -0.109 6.194 4.913 88 1HG2 ILE 43 1HG2 ILE 43 1.453 4.471 7.845 89 2HG2 ILE 43 2HG2 ILE 43 2.709 4.273 6.603 90 3HG2 ILE 43 3HG2 ILE 43 2.921 5.470 7.869 91 1HD1 ILE 43 1HD1 ILE 43 0.073 3.979 3.951 92 2HD1 ILE 43 2HD1 ILE 43 1.696 4.685 4.016 93 3HD1 ILE 43 3HD1 ILE 43 1.196 3.447 5.197 94 H VAL 44 H VAL 44 -1.348 8.098 6.559 95 HA VAL 44 HA VAL 44 -0.418 10.407 4.987 96 HB VAL 44 HB VAL 44 -3.155 9.257 5.573 97 1HG1 VAL 44 1HG1 VAL 44 -2.432 11.824 4.097 98 2HG1 VAL 44 2HG1 VAL 44 -4.000 11.002 3.975 99 3HG1 VAL 44 3HG1 VAL 44 -3.486 11.676 5.523 100 1HG2 VAL 44 1HG2 VAL 44 -1.839 8.069 3.993 101 2HG2 VAL 44 2HG2 VAL 44 -3.195 8.868 3.181 102 3HG2 VAL 44 3HG2 VAL 44 -1.555 9.545 3.030 103 H ASN 45 H ASN 45 -2.316 9.733 7.914 104 HA ASN 45 HA ASN 45 -3.141 12.267 8.526 105 1HB ASN 45 2HB ASN 45 -2.386 10.119 10.552 106 2HB ASN 45 3HB ASN 45 -3.414 11.516 10.873 107 1HD2 ASN 45 1HD2 ASN 45 -5.089 11.509 8.509 108 2HD2 ASN 45 2HD2 ASN 45 -6.056 10.058 8.600 109 H GLY 46 H GLY 46 0.017 10.885 9.556 110 1HA GLY 46 1HA GLY 46 1.166 13.538 9.776 111 2HA GLY 46 2HA GLY 46 0.705 12.940 11.370 112 H LYS 47 H LYS 47 2.504 11.880 8.431 113 HA LYS 47 HA LYS 47 4.650 10.743 9.946 114 1HB LYS 47 2HB LYS 47 2.379 8.958 9.169 115 2HB LYS 47 3HB LYS 47 4.009 8.299 9.027 116 1HG LYS 47 2HG LYS 47 3.914 7.702 11.140 117 2HG LYS 47 3HG LYS 47 3.977 9.410 11.591 118 1HD LYS 47 2HD LYS 47 1.396 9.368 11.221 119 2HD LYS 47 3HD LYS 47 1.567 7.619 11.224 120 1HE LYS 47 2HE LYS 47 2.617 9.417 13.485 121 2HE LYS 47 3HE LYS 47 0.920 8.946 13.422 122 1HZ LYS 47 1HZ LYS 47 1.474 6.706 13.617 123 2HZ LYS 47 2HZ LYS 47 3.101 6.984 13.521 124 3HZ LYS 47 3HZ LYS 47 2.222 7.505 14.818 125 H THR 48 H THR 48 3.261 9.249 6.989 126 HA THR 48 HA THR 48 5.911 9.495 5.761 127 HB THR 48 HB THR 48 3.343 8.180 4.788 128 HG1 THR 48 1HG THR 48 5.626 7.048 6.034 129 1HG2 THR 48 1HG2 THR 48 4.969 8.660 2.961 130 2HG2 THR 48 2HG2 THR 48 6.197 7.738 3.852 131 3HG2 THR 48 3HG2 THR 48 4.703 6.950 3.272 132 H ASP 49 H ASP 49 2.510 10.266 4.813 133 HA ASP 49 HA ASP 49 3.069 11.721 2.443 134 1HB ASP 49 2HB ASP 49 0.818 11.006 3.131 135 2HB ASP 49 3HB ASP 49 0.897 12.092 4.547 136 H THR 50 H THR 50 2.795 12.735 5.829 137 HA THR 50 HA THR 50 3.429 15.471 5.446 138 HB THR 50 HB THR 50 3.961 14.222 8.074 139 HG1 THR 50 1HG THR 50 1.400 13.827 6.941 140 1HG2 THR 50 1HG2 THR 50 2.299 15.862 8.838 141 2HG2 THR 50 2HG2 THR 50 3.492 16.627 7.768 142 3HG2 THR 50 3HG2 THR 50 1.873 16.239 7.152 143 H GLY 51 H GLY 51 5.450 12.619 5.675 144 1HA GLY 51 1HA GLY 51 7.627 12.203 6.062 145 2HA GLY 51 2HA GLY 51 7.932 13.793 5.350 146 H VAL 52 H VAL 52 6.360 12.809 8.444 147 HA VAL 52 HA VAL 52 8.247 14.698 9.866 148 HB VAL 52 HB VAL 52 6.556 14.941 11.582 149 1HG1 VAL 52 1HG1 VAL 52 5.018 16.350 10.287 150 2HG1 VAL 52 2HG1 VAL 52 6.704 16.560 9.779 151 3HG1 VAL 52 3HG1 VAL 52 5.597 15.609 8.783 152 1HG2 VAL 52 1HG2 VAL 52 4.802 13.209 9.809 153 2HG2 VAL 52 2HG2 VAL 52 5.326 12.860 11.460 154 3HG2 VAL 52 3HG2 VAL 52 4.217 14.203 11.154 155 H LYS 53 H LYS 53 7.237 11.356 9.837 156 HA LYS 53 HA LYS 53 8.886 10.903 12.289 157 1HB LYS 53 2HB LYS 53 6.069 10.067 11.796 158 2HB LYS 53 3HB LYS 53 7.113 8.982 12.723 159 1HG LYS 53 2HG LYS 53 6.834 11.934 13.362 160 2HG LYS 53 3HG LYS 53 5.739 10.725 14.026 161 1HD LYS 53 2HD LYS 53 7.232 9.957 15.531 162 2HD LYS 53 3HD LYS 53 8.560 9.917 14.365 163 1HE LYS 53 2HE LYS 53 8.925 12.336 14.602 164 2HE LYS 53 3HE LYS 53 7.557 12.466 15.722 165 1HZ LYS 53 1HZ LYS 53 8.750 11.076 17.261 166 2HZ LYS 53 2HZ LYS 53 10.006 10.895 16.210 167 3HZ LYS 53 3HZ LYS 53 9.673 12.372 16.848 168 HA PRO 54 HA PRO 54 9.883 7.258 9.608 169 1HB PRO 54 2HB PRO 54 8.312 6.268 7.639 170 2HB PRO 54 3HB PRO 54 7.954 5.915 9.355 171 1HG PRO 54 2HG PRO 54 6.727 8.086 7.629 172 2HG PRO 54 3HG PRO 54 5.870 6.876 8.630 173 1HD PRO 54 2HD PRO 54 6.459 9.433 9.492 174 2HD PRO 54 3HD PRO 54 6.417 8.037 10.610 175 H GLU 55 H GLU 55 11.191 7.362 7.730 176 HA GLU 55 HA GLU 55 10.770 9.655 5.862 177 1HB GLU 55 2HB GLU 55 13.311 8.113 6.547 178 2HB GLU 55 3HB GLU 55 13.172 9.516 5.475 179 1HG GLU 55 2HG GLU 55 12.281 10.837 7.451 180 2HG GLU 55 3HG GLU 55 12.664 9.449 8.486 181 H ALA 56 H ALA 56 11.381 9.216 3.597 182 HA ALA 56 HA ALA 56 10.287 6.725 2.693 183 1HB ALA 56 1HB ALA 56 10.108 8.861 1.391 184 2HB ALA 56 2HB ALA 56 11.839 8.726 1.010 185 3HB ALA 56 3HB ALA 56 10.679 7.503 0.446 186 H GLY 57 H GLY 57 11.448 4.851 1.899 187 1HA GLY 57 1HA GLY 57 13.460 3.686 1.448 188 2HA GLY 57 2HA GLY 57 14.367 4.749 2.519 189 H GLN 58 H GLN 58 11.450 4.041 4.084 190 HA GLN 58 HA GLN 58 12.812 2.076 5.839 191 1HB GLN 58 2HB GLN 58 10.294 3.757 6.153 192 2HB GLN 58 3HB GLN 58 10.748 2.435 7.250 193 1HG GLN 58 2HG GLN 58 12.905 3.522 7.737 194 2HG GLN 58 3HG GLN 58 12.522 4.832 6.611 195 1HE2 GLN 58 1HE2 GLN 58 10.033 3.443 8.835 196 2HE2 GLN 58 2HE2 GLN 58 10.009 4.850 9.864 197 H ARG 59 H ARG 59 11.902 0.081 6.320 198 HA ARG 59 HA ARG 59 10.305 -1.021 4.106 199 1HB ARG 59 2HB ARG 59 12.732 -1.695 4.868 200 2HB ARG 59 3HB ARG 59 11.925 -2.655 6.097 201 1HG ARG 59 2HG ARG 59 11.399 -2.864 3.080 202 2HG ARG 59 3HG ARG 59 12.664 -3.740 3.922 203 1HD ARG 59 2HD ARG 59 10.624 -4.576 5.474 204 2HD ARG 59 3HD ARG 59 9.673 -4.112 4.075 205 HE ARG 59 HE ARG 59 10.418 -5.966 2.934 206 1HH1 ARG 59 2HH2 ARG 59 12.632 -5.297 5.575 207 2HH1 ARG 59 1HH2 ARG 59 13.573 -6.749 5.405 208 1HH2 ARG 59 1HH1 ARG 59 11.612 -7.900 2.624 209 2HH2 ARG 59 2HH1 ARG 59 13.000 -8.249 3.617 210 H ILE 60 H ILE 60 8.126 -1.256 4.643 211 HA ILE 60 HA ILE 60 7.365 -2.081 7.380 212 HB ILE 60 HB ILE 60 5.925 -0.372 7.868 213 1HG1 ILE 60 2HG1 ILE 60 6.118 0.687 5.008 214 2HG1 ILE 60 3HG1 ILE 60 4.738 -0.180 5.675 215 1HG2 ILE 60 1HG2 ILE 60 8.073 1.248 6.446 216 2HG2 ILE 60 2HG2 ILE 60 7.193 1.618 7.943 217 3HG2 ILE 60 3HG2 ILE 60 8.394 0.327 7.920 218 1HD1 ILE 60 1HD1 ILE 60 4.372 1.565 7.367 219 2HD1 ILE 60 2HD1 ILE 60 5.624 2.559 6.585 220 3HD1 ILE 60 3HD1 ILE 60 4.163 2.100 5.691 221 H ARG 61 H ARG 61 4.734 -2.352 7.348 222 HA ARG 61 HA ARG 61 4.049 -3.485 4.707 223 1HB ARG 61 2HB ARG 61 3.067 -4.557 7.320 224 2HB ARG 61 3HB ARG 61 3.067 -5.330 5.741 225 1HG ARG 61 2HG ARG 61 5.561 -5.532 5.933 226 2HG ARG 61 3HG ARG 61 5.521 -4.710 7.500 227 1HD ARG 61 2HD ARG 61 4.067 -6.431 8.435 228 2HD ARG 61 3HD ARG 61 4.158 -7.326 6.907 229 HE ARG 61 HE ARG 61 6.802 -6.892 7.625 230 1HH1 ARG 61 2HH2 ARG 61 4.005 -8.535 8.950 231 2HH1 ARG 61 1HH2 ARG 61 4.893 -9.694 9.895 232 1HH2 ARG 61 1HH1 ARG 61 8.062 -8.411 8.857 233 2HH2 ARG 61 2HH1 ARG 61 7.276 -9.619 9.820 234 H VAL 62 H VAL 62 2.336 -2.453 3.830 235 HA VAL 62 HA VAL 62 0.694 -0.655 5.562 236 HB VAL 62 HB VAL 62 1.460 0.340 3.530 237 1HG1 VAL 62 1HG1 VAL 62 1.712 -1.629 2.061 238 2HG1 VAL 62 2HG1 VAL 62 -0.065 -1.786 1.957 239 3HG1 VAL 62 3HG1 VAL 62 0.758 -0.359 1.314 240 1HG2 VAL 62 1HG2 VAL 62 -1.525 -0.247 3.376 241 2HG2 VAL 62 2HG2 VAL 62 -0.751 0.975 4.417 242 3HG2 VAL 62 3HG2 VAL 62 -0.675 1.127 2.651 243 H GLY 63 H GLY 63 -1.251 -1.392 6.354 244 1HA GLY 63 1HA GLY 63 -2.501 -3.788 5.048 245 2HA GLY 63 2HA GLY 63 -2.172 -3.716 6.786 246 H GLY 64 H GLY 64 -4.646 -3.560 4.688 247 1HA GLY 64 1HA GLY 64 -6.471 -2.151 6.336 248 2HA GLY 64 2HA GLY 64 -5.895 -1.055 5.058 249 H MET 65 H MET 65 -8.047 -1.078 4.083 250 HA MET 65 HA MET 65 -8.691 -3.556 2.620 251 1HB MET 65 2HB MET 65 -11.090 -2.860 2.831 252 2HB MET 65 3HB MET 65 -10.293 -3.527 4.243 253 1HG MET 65 2HG MET 65 -11.651 -1.747 4.987 254 2HG MET 65 3HG MET 65 -9.981 -1.289 5.235 255 1HE MET 65 1HE MET 65 -11.779 -1.028 1.678 256 2HE MET 65 2HE MET 65 -13.025 -1.107 2.958 257 3HE MET 65 3HE MET 65 -12.813 0.376 2.011 258 H VAL 66 H VAL 66 -9.302 -3.421 0.552 259 HA VAL 66 HA VAL 66 -8.162 -1.005 -0.736 260 HB VAL 66 HB VAL 66 -7.532 -2.318 -2.490 261 1HG1 VAL 66 1HG1 VAL 66 -6.242 -2.909 -0.488 262 2HG1 VAL 66 2HG1 VAL 66 -7.398 -4.197 -0.070 263 3HG1 VAL 66 3HG1 VAL 66 -6.447 -4.329 -1.527 264 1HG2 VAL 66 1HG2 VAL 66 -9.543 -4.435 -1.676 265 2HG2 VAL 66 2HG2 VAL 66 -9.549 -3.433 -3.146 266 3HG2 VAL 66 3HG2 VAL 66 -8.291 -4.653 -2.909 267 H THR 67 H THR 67 -9.298 0.231 -2.305 268 HA THR 67 HA THR 67 -12.193 0.063 -2.238 269 HB THR 67 HB THR 67 -10.172 1.950 -3.428 270 HG1 THR 67 1HG THR 67 -11.262 2.159 -1.328 271 1HG2 THR 67 1HG2 THR 67 -11.701 1.667 -5.329 272 2HG2 THR 67 2HG2 THR 67 -13.114 1.871 -4.255 273 3HG2 THR 67 3HG2 THR 67 -11.985 3.211 -4.531 274 H VAL 68 H VAL 68 -13.476 -0.657 -3.696 275 HA VAL 68 HA VAL 68 -13.010 -2.670 -5.544 276 HB VAL 68 HB VAL 68 -15.153 -2.324 -4.718 277 1HG1 VAL 68 1HG1 VAL 68 -16.641 -0.484 -5.175 278 2HG1 VAL 68 2HG1 VAL 68 -15.213 0.130 -4.351 279 3HG1 VAL 68 3HG1 VAL 68 -15.413 0.377 -6.100 280 1HG2 VAL 68 1HG2 VAL 68 -14.997 -3.249 -7.020 281 2HG2 VAL 68 2HG2 VAL 68 -16.540 -2.442 -6.688 282 3HG2 VAL 68 3HG2 VAL 68 -15.314 -1.625 -7.674 283 H GLY 69 H GLY 69 -13.489 0.798 -6.432 284 1HA GLY 69 1HA GLY 69 -12.405 0.269 -9.153 285 2HA GLY 69 2HA GLY 69 -13.261 1.706 -8.584 286 H SER 70 H SER 70 -10.240 -0.116 -7.988 287 HA SER 70 HA SER 70 -8.699 2.417 -8.131 288 1HB SER 70 2HB SER 70 -8.856 0.779 -5.572 289 2HB SER 70 3HB SER 70 -7.572 1.950 -5.940 290 HG SER 70 HG SER 70 -9.988 3.034 -6.437 291 H MET 71 H MET 71 -8.561 -1.158 -7.971 292 HA MET 71 HA MET 71 -5.733 -1.314 -8.310 293 1HB MET 71 2HB MET 71 -7.420 -3.080 -7.582 294 2HB MET 71 3HB MET 71 -7.874 -3.239 -9.281 295 1HG MET 71 2HG MET 71 -5.280 -3.990 -7.934 296 2HG MET 71 3HG MET 71 -6.508 -5.017 -8.685 297 1HE MET 71 1HE MET 71 -4.028 -2.178 -9.498 298 2HE MET 71 2HE MET 71 -3.130 -3.597 -8.959 299 3HE MET 71 3HE MET 71 -2.952 -3.022 -10.637 300 H VAL 72 H VAL 72 -4.782 -0.162 -10.058 301 HA VAL 72 HA VAL 72 -6.064 -0.528 -12.743 302 HB VAL 72 HB VAL 72 -5.100 1.541 -13.470 303 1HG1 VAL 72 1HG1 VAL 72 -6.867 1.936 -11.020 304 2HG1 VAL 72 2HG1 VAL 72 -6.715 3.018 -12.415 305 3HG1 VAL 72 3HG1 VAL 72 -7.441 1.414 -12.617 306 1HG2 VAL 72 1HG2 VAL 72 -4.353 2.044 -10.561 307 2HG2 VAL 72 2HG2 VAL 72 -3.231 1.859 -11.939 308 3HG2 VAL 72 3HG2 VAL 72 -4.324 3.247 -11.865 309 H ARG 73 H ARG 73 -4.911 -1.584 -14.159 310 HA ARG 73 HA ARG 73 -2.127 -2.350 -13.476 311 1HB ARG 73 2HB ARG 73 -2.700 -4.545 -14.531 312 2HB ARG 73 3HB ARG 73 -3.560 -4.257 -13.016 313 1HG ARG 73 2HG ARG 73 -5.087 -3.480 -15.454 314 2HG ARG 73 3HG ARG 73 -4.723 -5.188 -15.261 315 1HD ARG 73 2HD ARG 73 -5.773 -5.216 -13.019 316 2HD ARG 73 3HD ARG 73 -5.961 -3.471 -13.058 317 HE ARG 73 HE ARG 73 -7.879 -3.669 -14.190 318 1HH1 ARG 73 2HH2 ARG 73 -6.111 -6.676 -14.589 319 2HH1 ARG 73 1HH2 ARG 73 -7.329 -7.484 -15.529 320 1HH2 ARG 73 1HH1 ARG 73 -9.533 -4.678 -15.449 321 2HH2 ARG 73 2HH1 ARG 73 -9.338 -6.303 -16.021 322 H ASP 74 H ASP 74 -0.645 -2.180 -15.221 323 HA ASP 74 HA ASP 74 -1.729 -0.801 -17.581 324 1HB ASP 74 2HB ASP 74 1.078 -1.580 -16.777 325 2HB ASP 74 3HB ASP 74 0.651 -0.629 -18.209 326 HA PRO 75 HA PRO 75 -1.715 -4.619 -19.928 327 1HB PRO 75 2HB PRO 75 -1.867 -3.703 -22.513 328 2HB PRO 75 3HB PRO 75 -3.188 -3.438 -21.344 329 1HG PRO 75 2HG PRO 75 -0.932 -1.521 -22.019 330 2HG PRO 75 3HG PRO 75 -2.688 -1.183 -22.056 331 1HD PRO 75 2HD PRO 75 -1.163 -0.559 -19.889 332 2HD PRO 75 3HD PRO 75 -2.821 -1.198 -19.681 333 H ASN 76 H ASN 76 0.904 -3.379 -19.094 334 HA ASN 76 HA ASN 76 2.721 -4.676 -21.052 335 1HB ASN 76 2HB ASN 76 3.288 -3.260 -18.424 336 2HB ASN 76 3HB ASN 76 4.472 -3.830 -19.620 337 1HD2 ASN 76 1HD2 ASN 76 2.729 -1.099 -18.544 338 2HD2 ASN 76 2HD2 ASN 76 2.964 -0.121 -19.973 339 H SER 77 H SER 77 0.922 -5.073 -18.046 340 HA SER 77 HA SER 77 0.652 -6.756 -16.618 341 1HB SER 77 2HB SER 77 2.536 -8.509 -18.247 342 2HB SER 77 3HB SER 77 1.349 -9.009 -17.046 343 HG SER 77 HG SER 77 -0.262 -8.002 -18.454 344 H LEU 78 H LEU 78 3.459 -5.087 -16.963 345 HA LEU 78 HA LEU 78 4.683 -6.265 -14.502 346 1HB LEU 78 2HB LEU 78 6.837 -5.457 -15.408 347 2HB LEU 78 3HB LEU 78 6.089 -6.846 -16.196 348 HG LEU 78 HG LEU 78 5.309 -5.449 -18.061 349 1HD1 LEU 78 1HD1 LEU 78 6.723 -3.224 -16.539 350 2HD1 LEU 78 2HD1 LEU 78 6.215 -3.096 -18.239 351 3HD1 LEU 78 3HD1 LEU 78 5.000 -3.311 -16.969 352 1HD2 LEU 78 1HD2 LEU 78 7.480 -5.042 -19.076 353 2HD2 LEU 78 2HD2 LEU 78 8.266 -5.161 -17.481 354 3HD2 LEU 78 3HD2 LEU 78 7.455 -6.578 -18.189 355 H HIS 79 H HID 79 2.618 -3.982 -15.010 356 HA HIS 79 HA HID 79 3.771 -2.305 -12.914 357 1HB HIS 79 2HB HID 79 2.848 -1.314 -15.630 358 2HB HIS 79 3HB HID 79 2.813 -0.312 -14.185 359 HD1 HIS 79 1HD HID 79 5.576 -0.688 -12.918 360 HD2 HIS 79 2HD HID 79 4.868 -0.631 -17.067 361 HE1 HIS 79 1HE HID 79 7.773 -0.008 -14.022 362 H VAL 80 H VAL 80 2.278 -2.128 -11.381 363 HA VAL 80 HA VAL 80 -0.599 -2.197 -11.960 364 HB VAL 80 HB VAL 80 -0.553 -4.035 -10.030 365 1HG1 VAL 80 1HG1 VAL 80 -1.627 -4.316 -12.192 366 2HG1 VAL 80 2HG1 VAL 80 -0.104 -4.879 -12.911 367 3HG1 VAL 80 3HG1 VAL 80 -0.887 -5.812 -11.617 368 1HG2 VAL 80 1HG2 VAL 80 1.146 -5.748 -10.308 369 2HG2 VAL 80 2HG2 VAL 80 1.952 -4.850 -11.595 370 3HG2 VAL 80 3HG2 VAL 80 1.956 -4.230 -9.940 371 H GLN 81 H GLN 81 -1.619 -0.725 -10.555 372 HA GLN 81 HA GLN 81 -0.324 -0.420 -7.889 373 1HB GLN 81 2HB GLN 81 -0.397 2.026 -8.045 374 2HB GLN 81 3HB GLN 81 0.748 1.312 -9.198 375 1HG GLN 81 2HG GLN 81 -0.825 1.585 -11.036 376 2HG GLN 81 3HG GLN 81 -2.089 2.106 -9.900 377 1HE2 GLN 81 1HE2 GLN 81 -2.359 4.036 -11.159 378 2HE2 GLN 81 2HE2 GLN 81 -1.175 5.318 -11.044 379 H PHE 82 H PHE 82 -1.631 0.354 -6.261 380 HA PHE 82 HA PHE 82 -4.559 0.462 -6.852 381 1HB PHE 82 2HB PHE 82 -5.017 -1.284 -5.192 382 2HB PHE 82 3HB PHE 82 -4.114 -1.912 -6.557 383 HD1 PHE 82 1HD PHE 82 -3.863 -0.927 -2.960 384 HD2 PHE 82 2HD PHE 82 -1.905 -2.873 -6.278 385 HE1 PHE 82 1HE PHE 82 -2.321 -2.064 -1.390 386 HE2 PHE 82 2HE PHE 82 -0.370 -4.004 -4.702 387 HZ PHE 82 HZ PHE 82 -0.663 -3.708 -2.247 388 H ALA 83 H ALA 83 -5.817 1.257 -5.120 389 HA ALA 83 HA ALA 83 -4.282 2.873 -3.167 390 1HB ALA 83 1HB ALA 83 -7.184 3.192 -4.000 391 2HB ALA 83 2HB ALA 83 -6.267 4.221 -2.891 392 3HB ALA 83 3HB ALA 83 -5.823 4.167 -4.607 393 H VAL 84 H VAL 84 -4.571 2.519 -1.023 394 HA VAL 84 HA VAL 84 -6.643 0.572 -0.141 395 HB VAL 84 HB VAL 84 -4.579 -0.706 -0.417 396 1HG1 VAL 84 1HG1 VAL 84 -2.965 1.130 -0.037 397 2HG1 VAL 84 2HG1 VAL 84 -3.366 1.107 1.694 398 3HG1 VAL 84 3HG1 VAL 84 -2.613 -0.310 0.937 399 1HG2 VAL 84 1HG2 VAL 84 -5.323 -0.318 2.515 400 2HG2 VAL 84 2HG2 VAL 84 -6.114 -1.401 1.352 401 3HG2 VAL 84 3HG2 VAL 84 -4.440 -1.694 1.830 402 H HIS 85 H HID 85 -7.532 0.983 1.843 403 HA HIS 85 HA HID 85 -6.745 3.421 3.299 404 1HB HIS 85 2HB HID 85 -8.961 4.389 3.116 405 2HB HIS 85 3HB HID 85 -8.245 4.213 1.525 406 HD1 HIS 85 1HD HID 85 -11.443 4.290 2.438 407 HD2 HIS 85 2HD HID 85 -9.052 1.532 0.389 408 HE1 HIS 85 1HE HID 85 -12.998 2.920 0.963 409 H ASP 86 H ASP 86 -8.638 3.589 5.127 410 HA ASP 86 HA ASP 86 -9.467 0.941 6.079 411 1HB ASP 86 2HB ASP 86 -7.028 1.256 6.743 412 2HB ASP 86 3HB ASP 86 -7.545 2.606 7.771 413 H SER 87 H SER 87 -10.880 3.155 5.192 414 HA SER 87 HA SER 87 -12.375 4.808 5.689 415 1HB SER 87 2HB SER 87 -14.106 4.060 7.363 416 2HB SER 87 3HB SER 87 -13.718 2.898 6.091 417 HG SER 87 HG SER 87 -12.179 2.626 8.369 418 H LEU 88 H LEU 88 -9.811 5.295 6.947 419 HA LEU 88 HA LEU 88 -10.583 6.948 9.330 420 1HB LEU 88 2HB LEU 88 -8.408 5.002 8.738 421 2HB LEU 88 3HB LEU 88 -7.880 6.483 9.539 422 HG LEU 88 HG LEU 88 -10.232 5.096 10.740 423 1HD1 LEU 88 1HD1 LEU 88 -8.741 3.220 10.342 424 2HD1 LEU 88 2HD1 LEU 88 -7.342 4.136 10.930 425 3HD1 LEU 88 3HD1 LEU 88 -8.635 3.669 12.050 426 1HD2 LEU 88 1HD2 LEU 88 -7.739 6.498 11.847 427 2HD2 LEU 88 2HD2 LEU 88 -9.309 7.287 11.588 428 3HD2 LEU 88 3HD2 LEU 88 -9.152 5.983 12.785 429 H GLY 89 H GLY 89 -10.696 7.700 6.452 430 1HA GLY 89 1HA GLY 89 -10.133 9.478 5.111 431 2HA GLY 89 2HA GLY 89 -9.847 10.325 6.638 432 H GLY 90 H GLY 90 -8.189 7.770 4.722 433 1HA GLY 90 1HA GLY 90 -5.699 9.443 4.643 434 2HA GLY 90 2HA GLY 90 -5.645 7.713 4.994 435 H GLU 91 H GLU 91 -6.313 6.208 3.437 436 HA GLU 91 HA GLU 91 -6.426 5.267 1.448 437 1HB GLU 91 2HB GLU 91 -8.412 6.763 1.186 438 2HB GLU 91 3HB GLU 91 -7.409 7.890 0.261 439 1HG GLU 91 2HG GLU 91 -7.103 6.327 -1.508 440 2HG GLU 91 3HG GLU 91 -7.637 4.952 -0.532 441 H ILE 92 H ILE 92 -4.362 4.737 1.261 442 HA ILE 92 HA ILE 92 -2.480 6.711 0.096 443 HB ILE 92 HB ILE 92 -2.275 4.898 2.269 444 1HG1 ILE 92 2HG1 ILE 92 -1.242 6.968 2.320 445 2HG1 ILE 92 3HG1 ILE 92 0.010 5.748 2.495 446 1HG2 ILE 92 1HG2 ILE 92 -0.423 3.459 1.787 447 2HG2 ILE 92 2HG2 ILE 92 -1.801 3.055 0.773 448 3HG2 ILE 92 3HG2 ILE 92 -0.425 3.943 0.081 449 1HD1 ILE 92 1HD1 ILE 92 -0.519 7.589 0.147 450 2HD1 ILE 92 2HD1 ILE 92 0.882 7.492 1.199 451 3HD1 ILE 92 3HD1 ILE 92 0.577 6.180 0.036 452 H LEU 93 H LEU 93 -1.044 5.922 -1.606 453 HA LEU 93 HA LEU 93 -2.343 3.869 -3.335 454 1HB LEU 93 2HB LEU 93 -0.936 6.466 -3.877 455 2HB LEU 93 3HB LEU 93 -0.620 5.147 -5.012 456 HG LEU 93 HG LEU 93 -3.460 5.929 -4.306 457 1HD1 LEU 93 1HD1 LEU 93 -2.286 7.980 -5.116 458 2HD1 LEU 93 2HD1 LEU 93 -1.738 7.079 -6.554 459 3HD1 LEU 93 3HD1 LEU 93 -3.466 7.380 -6.295 460 1HD2 LEU 93 1HD2 LEU 93 -3.018 3.783 -5.546 461 2HD2 LEU 93 2HD2 LEU 93 -3.872 4.960 -6.559 462 3HD2 LEU 93 3HD2 LEU 93 -2.127 4.702 -6.775 463 H VAL 94 H VAL 94 -1.221 2.077 -3.767 464 HA VAL 94 HA VAL 94 1.620 1.836 -2.869 465 HB VAL 94 HB VAL 94 -0.570 -0.258 -3.088 466 1HG1 VAL 94 1HG1 VAL 94 2.269 -0.399 -1.982 467 2HG1 VAL 94 2HG1 VAL 94 1.051 -1.682 -1.826 468 3HG1 VAL 94 3HG1 VAL 94 1.658 -1.237 -3.427 469 1HG2 VAL 94 1HG2 VAL 94 0.634 1.022 -0.605 470 2HG2 VAL 94 2HG2 VAL 94 -1.018 1.284 -1.197 471 3HG2 VAL 94 3HG2 VAL 94 -0.538 -0.317 -0.625 472 H THR 95 H THR 95 3.064 1.225 -4.488 473 HA THR 95 HA THR 95 1.912 0.630 -7.168 474 HB THR 95 HB THR 95 4.181 1.522 -7.915 475 HG1 THR 95 1HG THR 95 5.046 2.927 -6.043 476 1HG2 THR 95 1HG2 THR 95 3.613 3.881 -7.568 477 2HG2 THR 95 2HG2 THR 95 2.132 2.965 -7.892 478 3HG2 THR 95 3HG2 THR 95 2.526 3.465 -6.231 479 H TYR 96 H TYR 96 2.803 -1.095 -8.363 480 HA TYR 96 HA TYR 96 4.714 -2.924 -7.077 481 1HB TYR 96 2HB TYR 96 2.300 -3.234 -6.283 482 2HB TYR 96 3HB TYR 96 1.865 -3.696 -7.893 483 HD1 TYR 96 HD1 TYR 96 3.703 -5.663 -8.802 484 HD2 TYR 96 HD2 TYR 96 2.187 -5.022 -4.852 485 HE1 TYR 96 HE1 TYR 96 4.416 -7.941 -8.178 486 HE2 TYR 96 HE2 TYR 96 2.729 -7.350 -4.290 487 HH TYR 96 HH TYR 96 4.040 -9.273 -5.084 488 H ASP 97 H ASP 97 5.835 -4.144 -8.703 489 HA ASP 97 HA ASP 97 5.196 -3.558 -11.535 490 1HB ASP 97 2HB ASP 97 7.606 -3.035 -11.709 491 2HB ASP 97 3HB ASP 97 6.776 -1.958 -10.583 492 H ASP 98 H ASP 98 4.514 -6.100 -10.406 493 HA ASP 98 HA ASP 98 5.972 -7.812 -12.176 494 1HB ASP 98 2HB ASP 98 7.502 -7.500 -10.036 495 2HB ASP 98 3HB ASP 98 6.376 -8.598 -9.260 496 H LEU 99 H LEU 99 3.416 -7.537 -12.455 497 HA LEU 99 HA LEU 99 1.268 -8.144 -12.167 498 1HB LEU 99 2HB LEU 99 2.722 -10.799 -11.839 499 2HB LEU 99 3HB LEU 99 0.982 -10.704 -11.748 500 HG LEU 99 HG LEU 99 1.441 -9.260 -14.052 501 1HD1 LEU 99 1HD1 LEU 99 2.922 -10.646 -15.431 502 2HD1 LEU 99 2HD1 LEU 99 3.831 -10.009 -14.046 503 3HD1 LEU 99 3HD1 LEU 99 3.276 -11.699 -14.045 504 1HD2 LEU 99 1HD2 LEU 99 0.489 -11.198 -15.190 505 2HD2 LEU 99 2HD2 LEU 99 0.774 -12.200 -13.748 506 3HD2 LEU 99 3HD2 LEU 99 -0.365 -10.835 -13.683 507 H LEU 100 H LEU 100 -0.228 -9.782 -10.481 508 HA LEU 100 HA LEU 100 0.594 -9.292 -7.733 509 1HB LEU 100 2HB LEU 100 -1.787 -8.008 -9.153 510 2HB LEU 100 3HB LEU 100 -1.945 -8.476 -7.465 511 HG LEU 100 HG LEU 100 0.326 -6.675 -8.362 512 1HD1 LEU 100 1HD1 LEU 100 -1.946 -5.666 -8.953 513 2HD1 LEU 100 2HD1 LEU 100 -2.186 -5.504 -7.191 514 3HD1 LEU 100 3HD1 LEU 100 -0.814 -4.730 -7.943 515 1HD2 LEU 100 1HD2 LEU 100 0.162 -5.958 -5.976 516 2HD2 LEU 100 2HD2 LEU 100 -1.067 -7.190 -5.710 517 3HD2 LEU 100 3HD2 LEU 100 0.569 -7.682 -6.168 518 HA PRO 101 HA PRO 101 -1.418 -13.319 -7.511 519 1HB PRO 101 2HB PRO 101 -2.450 -13.389 -4.973 520 2HB PRO 101 3HB PRO 101 -0.690 -13.403 -5.287 521 1HG PRO 101 2HG PRO 101 -2.414 -10.974 -4.665 522 2HG PRO 101 3HG PRO 101 -0.951 -11.496 -3.809 523 1HD PRO 101 2HD PRO 101 -0.828 -9.657 -5.809 524 2HD PRO 101 3HD PRO 101 0.429 -10.925 -5.739 525 H ASP 102 H ASP 102 -3.443 -14.082 -8.184 526 HA ASP 102 HA ASP 102 -5.420 -13.793 -9.296 527 1HB ASP 102 2HB ASP 102 -6.007 -13.250 -6.373 528 2HB ASP 102 3HB ASP 102 -7.283 -13.121 -7.598 529 H LEU 103 H LEU 103 -3.887 -11.672 -9.960 530 HA LEU 103 HA LEU 103 -3.758 -9.590 -10.648 531 1HB LEU 103 2HB LEU 103 -5.427 -8.782 -12.022 532 2HB LEU 103 3HB LEU 103 -5.559 -10.527 -12.128 533 HG LEU 103 HG LEU 103 -7.362 -9.397 -10.044 534 1HD1 LEU 103 1HD1 LEU 103 -7.294 -7.446 -11.461 535 2HD1 LEU 103 2HD1 LEU 103 -7.730 -8.439 -12.876 536 3HD1 LEU 103 3HD1 LEU 103 -8.873 -8.248 -11.520 537 1HD2 LEU 103 1HD2 LEU 103 -7.955 -10.946 -12.603 538 2HD2 LEU 103 2HD2 LEU 103 -7.567 -11.700 -11.043 539 3HD2 LEU 103 3HD2 LEU 103 -9.034 -10.722 -11.210 540 H PHE 104 H PHE 104 -4.566 -9.959 -7.714 541 HA PHE 104 HA PHE 104 -4.972 -8.774 -5.894 542 1HB PHE 104 2HB PHE 104 -3.506 -7.105 -6.976 543 2HB PHE 104 3HB PHE 104 -4.914 -6.238 -7.538 544 HD1 PHE 104 1HD PHE 104 -6.262 -4.905 -5.941 545 HD2 PHE 104 2HD PHE 104 -2.927 -7.278 -4.544 546 HE1 PHE 104 1HE PHE 104 -6.035 -3.457 -3.954 547 HE2 PHE 104 2HE PHE 104 -2.703 -5.826 -2.603 548 HZ PHE 104 HZ PHE 104 -4.278 -3.930 -2.264 549 H ARG 105 H ARG 105 -6.944 -9.638 -5.536 550 HA ARG 105 HA ARG 105 -9.312 -8.936 -7.043 551 1HB ARG 105 2HB ARG 105 -8.982 -10.320 -4.349 552 2HB ARG 105 3HB ARG 105 -10.450 -10.352 -5.343 553 1HG ARG 105 2HG ARG 105 -9.279 -11.673 -7.062 554 2HG ARG 105 3HG ARG 105 -7.749 -11.454 -6.204 555 1HD ARG 105 2HD ARG 105 -8.408 -13.638 -5.581 556 2HD ARG 105 3HD ARG 105 -8.719 -12.629 -4.197 557 HE ARG 105 HE ARG 105 -10.988 -12.956 -4.411 558 1HH1 ARG 105 2HH2 ARG 105 -9.334 -14.607 -7.147 559 2HH1 ARG 105 1HH2 ARG 105 -10.810 -14.981 -7.951 560 1HH2 ARG 105 1HH1 ARG 105 -12.889 -13.859 -5.285 561 2HH2 ARG 105 2HH1 ARG 105 -12.852 -14.758 -6.768 562 H GLU 106 H GLU 106 -10.531 -7.087 -6.689 563 HA GLU 106 HA GLU 106 -9.792 -5.364 -4.516 564 1HB GLU 106 2HB GLU 106 -12.019 -4.928 -6.533 565 2HB GLU 106 3HB GLU 106 -11.070 -3.740 -5.618 566 1HG GLU 106 2HG GLU 106 -10.015 -3.558 -7.610 567 2HG GLU 106 3HG GLU 106 -9.012 -4.833 -6.907 568 H GLY 107 H GLY 107 -11.683 -4.117 -3.361 569 1HA GLY 107 1HA GLY 107 -13.424 -4.112 -1.883 570 2HA GLY 107 2HA GLY 107 -14.181 -5.361 -2.884 571 H GLN 108 H GLN 108 -11.107 -5.515 -1.042 572 HA GLN 108 HA GLN 108 -12.219 -7.073 1.138 573 1HB GLN 108 2HB GLN 108 -10.737 -9.019 0.745 574 2HB GLN 108 3HB GLN 108 -11.918 -8.817 -0.551 575 1HG GLN 108 2HG GLN 108 -10.204 -7.721 -1.960 576 2HG GLN 108 3HG GLN 108 -9.001 -7.875 -0.669 577 1HE2 GLN 108 1HE2 GLN 108 -11.409 -9.984 -2.331 578 2HE2 GLN 108 2HE2 GLN 108 -10.319 -11.362 -2.420 579 H GLY 109 H GLY 109 -10.092 -7.844 2.454 580 1HA GLY 109 1HA GLY 109 -8.240 -5.514 2.543 581 2HA GLY 109 2HA GLY 109 -8.783 -6.368 3.979 582 H ILE 110 H ILE 110 -6.129 -5.785 2.671 583 HA ILE 110 HA ILE 110 -4.959 -8.484 2.621 584 HB ILE 110 HB ILE 110 -3.732 -8.079 0.569 585 1HG1 ILE 110 2HG1 ILE 110 -4.701 -6.158 -0.926 586 2HG1 ILE 110 3HG1 ILE 110 -5.027 -5.345 0.601 587 1HG2 ILE 110 1HG2 ILE 110 -5.463 -8.405 -1.030 588 2HG2 ILE 110 2HG2 ILE 110 -6.104 -9.074 0.476 589 3HG2 ILE 110 3HG2 ILE 110 -6.639 -7.483 -0.082 590 1HD1 ILE 110 1HD1 ILE 110 -2.306 -6.452 -0.277 591 2HD1 ILE 110 2HD1 ILE 110 -2.834 -4.763 -0.469 592 3HD1 ILE 110 3HD1 ILE 110 -2.619 -5.416 1.146 593 H VAL 111 H VAL 111 -2.460 -8.160 2.679 594 HA VAL 111 HA VAL 111 -1.727 -5.501 3.812 595 HB VAL 111 HB VAL 111 -0.081 -6.620 5.236 596 1HG1 VAL 111 1HG1 VAL 111 -1.544 -7.116 7.070 597 2HG1 VAL 111 2HG1 VAL 111 -2.346 -5.867 6.105 598 3HG1 VAL 111 3HG1 VAL 111 -2.872 -7.549 5.984 599 1HG2 VAL 111 1HG2 VAL 111 -1.649 -9.182 4.638 600 2HG2 VAL 111 2HG2 VAL 111 0.017 -8.826 4.134 601 3HG2 VAL 111 3HG2 VAL 111 -0.382 -9.020 5.850 602 H ALA 112 H ALA 112 0.252 -4.727 3.082 603 HA ALA 112 HA ALA 112 1.597 -6.304 0.925 604 1HB ALA 112 1HB ALA 112 1.084 -3.332 0.748 605 2HB ALA 112 2HB ALA 112 1.611 -4.438 -0.516 606 3HB ALA 112 3HB ALA 112 -0.059 -4.507 0.100 607 H GLN 113 H GLN 113 3.740 -6.503 1.277 608 HA GLN 113 HA GLN 113 5.039 -4.606 3.167 609 1HB GLN 113 2HB GLN 113 6.387 -7.183 2.570 610 2HB GLN 113 3HB GLN 113 6.337 -6.257 4.026 611 1HG GLN 113 2HG GLN 113 3.994 -7.011 4.447 612 2HG GLN 113 3HG GLN 113 4.018 -7.936 2.953 613 1HE2 GLN 113 1HE2 GLN 113 6.619 -9.270 3.080 614 2HE2 GLN 113 2HE2 GLN 113 6.390 -10.403 4.373 615 H GLY 114 H GLY 114 6.951 -3.634 2.664 616 1HA GLY 114 1HA GLY 114 8.857 -4.283 0.859 617 2HA GLY 114 2HA GLY 114 7.742 -3.351 -0.137 618 H VAL 115 H VAL 115 8.637 -1.253 -0.294 619 HA VAL 115 HA VAL 115 9.672 -0.081 2.216 620 HB VAL 115 HB VAL 115 11.492 -1.285 1.121 621 1HG1 VAL 115 1HG1 VAL 115 11.226 0.741 -1.145 622 2HG1 VAL 115 2HG1 VAL 115 12.466 -0.516 -0.983 623 3HG1 VAL 115 3HG1 VAL 115 10.781 -0.975 -1.268 624 1HG2 VAL 115 1HG2 VAL 115 13.178 0.474 1.126 625 2HG2 VAL 115 2HG2 VAL 115 11.896 1.686 1.258 626 3HG2 VAL 115 3HG2 VAL 115 12.122 0.475 2.537 627 H LEU 116 H LEU 116 9.611 2.033 2.411 628 HA LEU 116 HA LEU 116 7.872 3.563 0.608 629 1HB LEU 116 2HB LEU 116 9.610 4.277 3.027 630 2HB LEU 116 3HB LEU 116 8.739 5.481 2.064 631 HG LEU 116 HG LEU 116 7.604 4.926 4.150 632 1HD1 LEU 116 1HD1 LEU 116 6.130 4.259 1.595 633 2HD1 LEU 116 2HD1 LEU 116 5.386 4.809 3.109 634 3HD1 LEU 116 3HD1 LEU 116 6.464 5.888 2.187 635 1HD2 LEU 116 1HD2 LEU 116 7.004 2.221 2.871 636 2HD2 LEU 116 2HD2 LEU 116 8.007 2.505 4.316 637 3HD2 LEU 116 3HD2 LEU 116 6.283 2.901 4.335 638 H GLY 117 H GLY 117 8.569 5.440 -0.659 639 1HA GLY 117 1HA GLY 117 11.373 6.034 -0.988 640 2HA GLY 117 2HA GLY 117 10.806 4.984 -2.300 641 H GLU 118 H GLU 118 8.286 5.833 -2.787 642 HA GLU 118 HA GLU 118 8.654 8.345 -4.139 643 1HB GLU 118 2HB GLU 118 6.043 6.991 -3.422 644 2HB GLU 118 3HB GLU 118 6.353 8.106 -4.764 645 1HG GLU 118 2HG GLU 118 7.955 6.334 -5.666 646 2HG GLU 118 3HG GLU 118 7.367 5.253 -4.395 647 H ASP 119 H ASP 119 7.680 10.355 -3.558 648 HA ASP 119 HA ASP 119 7.784 10.796 -0.714 649 1HB ASP 119 2HB ASP 119 8.954 12.241 -2.397 650 2HB ASP 119 3HB ASP 119 7.379 12.784 -3.008 651 H GLY 120 H GLY 120 5.858 9.374 -0.717 652 1HA GLY 120 1HA GLY 120 3.660 9.894 0.465 653 2HA GLY 120 2HA GLY 120 3.206 10.802 -0.977 654 H LYS 121 H LYS 121 4.994 7.892 -1.716 655 HA LYS 121 HA LYS 121 2.645 6.157 -1.611 656 1HB LYS 121 2HB LYS 121 3.987 6.999 -4.203 657 2HB LYS 121 3HB LYS 121 3.480 5.327 -4.010 658 1HG LYS 121 2HG LYS 121 1.545 6.021 -4.840 659 2HG LYS 121 3HG LYS 121 1.218 6.504 -3.180 660 1HD LYS 121 2HD LYS 121 0.609 8.425 -4.347 661 2HD LYS 121 3HD LYS 121 2.229 8.791 -3.778 662 1HE LYS 121 2HE LYS 121 2.083 9.518 -6.024 663 2HE LYS 121 3HE LYS 121 3.170 8.124 -6.019 664 1HZ LYS 121 1HZ LYS 121 0.327 8.060 -6.793 665 2HZ LYS 121 2HZ LYS 121 1.607 8.079 -7.829 666 3HZ LYS 121 3HZ LYS 121 1.383 6.788 -6.847 667 H LEU 122 H LEU 122 3.317 3.872 -2.232 668 HA LEU 122 HA LEU 122 5.917 3.307 -0.861 669 1HB LEU 122 2HB LEU 122 3.358 1.700 -0.516 670 2HB LEU 122 3HB LEU 122 4.869 1.611 0.383 671 HG LEU 122 HG LEU 122 4.147 4.208 0.935 672 1HD1 LEU 122 1HD1 LEU 122 1.789 4.325 1.400 673 2HD1 LEU 122 2HD1 LEU 122 2.071 4.134 -0.332 674 3HD1 LEU 122 3HD1 LEU 122 1.538 2.739 0.629 675 1HD2 LEU 122 1HD2 LEU 122 3.299 3.328 3.075 676 2HD2 LEU 122 2HD2 LEU 122 3.023 1.734 2.337 677 3HD2 LEU 122 3HD2 LEU 122 4.673 2.340 2.563 678 H ALA 123 H ALA 123 7.124 1.599 -1.737 679 HA ALA 123 HA ALA 123 6.036 0.333 -4.216 680 1HB ALA 123 1HB ALA 123 8.882 0.621 -3.159 681 2HB ALA 123 2HB ALA 123 8.394 -0.231 -4.642 682 3HB ALA 123 3HB ALA 123 8.152 1.523 -4.508 683 H ALA 124 H ALA 124 4.918 -1.467 -3.545 684 HA ALA 124 HA ALA 124 6.180 -3.224 -1.465 685 1HB ALA 124 1HB ALA 124 3.229 -2.675 -1.797 686 2HB ALA 124 2HB ALA 124 3.986 -3.769 -0.628 687 3HB ALA 124 3HB ALA 124 4.251 -2.019 -0.494 688 H THR 125 H THR 125 6.723 -5.134 -2.330 689 HA THR 125 HA THR 125 5.167 -6.077 -4.681 690 HB THR 125 HB THR 125 7.420 -5.613 -5.276 691 HG1 THR 125 1HG THR 125 6.171 -7.399 -6.184 692 1HG2 THR 125 1HG2 THR 125 8.211 -7.849 -3.354 693 2HG2 THR 125 2HG2 THR 125 9.269 -6.993 -4.489 694 3HG2 THR 125 3HG2 THR 125 8.575 -6.122 -3.112 695 H GLU 126 H GLU 126 5.776 -6.716 -1.300 696 HA GLU 126 HA GLU 126 5.140 -9.618 -1.627 697 1HB GLU 126 2HB GLU 126 5.852 -7.969 0.764 698 2HB GLU 126 3HB GLU 126 5.789 -9.731 0.705 699 1HG GLU 126 2HG GLU 126 7.788 -9.766 -0.714 700 2HG GLU 126 3HG GLU 126 7.781 -8.002 -0.873 701 H VAL 127 H VAL 127 2.813 -9.084 -2.358 702 HA VAL 127 HA VAL 127 1.121 -8.032 -0.154 703 HB VAL 127 HB VAL 127 -0.768 -8.258 -1.630 704 1HG1 VAL 127 1HG1 VAL 127 0.170 -6.121 -1.403 705 2HG1 VAL 127 2HG1 VAL 127 1.517 -6.461 -2.505 706 3HG1 VAL 127 3HG1 VAL 127 -0.144 -6.328 -3.127 707 1HG2 VAL 127 1HG2 VAL 127 1.023 -8.547 -4.023 708 2HG2 VAL 127 2HG2 VAL 127 0.416 -9.970 -3.205 709 3HG2 VAL 127 3HG2 VAL 127 -0.723 -8.756 -3.829 710 H LEU 128 H LEU 128 0.000 -9.213 1.217 711 HA LEU 128 HA LEU 128 -0.299 -12.145 0.722 712 1HB LEU 128 2HB LEU 128 -0.229 -10.965 3.495 713 2HB LEU 128 3HB LEU 128 -0.109 -12.625 2.963 714 HG LEU 128 HG LEU 128 1.982 -12.142 3.740 715 1HD1 LEU 128 1HD1 LEU 128 3.541 -12.333 2.028 716 2HD1 LEU 128 2HD1 LEU 128 2.070 -13.106 1.397 717 3HD1 LEU 128 3HD1 LEU 128 2.551 -11.476 0.856 718 1HD2 LEU 128 1HD2 LEU 128 1.835 -9.395 2.475 719 2HD2 LEU 128 2HD2 LEU 128 2.050 -9.860 4.175 720 3HD2 LEU 128 3HD2 LEU 128 3.343 -10.145 3.002 721 H ALA 129 H ALA 129 -2.368 -12.326 0.017 722 HA ALA 129 HA ALA 129 -4.450 -10.470 0.930 723 1HB ALA 129 1HB ALA 129 -4.326 -11.035 -1.444 724 2HB ALA 129 2HB ALA 129 -4.519 -12.764 -1.066 725 3HB ALA 129 3HB ALA 129 -5.843 -11.628 -0.739 726 H LYS 130 H LYS 130 -4.079 -11.331 3.210 727 HA LYS 130 HA LYS 130 -4.790 -13.894 3.976 728 1HB LYS 130 2HB LYS 130 -5.268 -13.148 6.160 729 2HB LYS 130 3HB LYS 130 -3.854 -12.288 5.569 730 1HG LYS 130 2HG LYS 130 -6.613 -10.993 5.468 731 2HG LYS 130 3HG LYS 130 -5.726 -11.112 6.981 732 1HD LYS 130 2HD LYS 130 -3.879 -9.799 6.148 733 2HD LYS 130 3HD LYS 130 -4.493 -9.867 4.500 734 1HE LYS 130 2HE LYS 130 -5.036 -7.681 5.337 735 2HE LYS 130 3HE LYS 130 -6.530 -8.598 5.165 736 1HZ LYS 130 1HZ LYS 130 -6.421 -7.355 7.204 737 2HZ LYS 130 2HZ LYS 130 -6.512 -8.963 7.530 738 3HZ LYS 130 3HZ LYS 130 -5.078 -8.162 7.694 739 H HIS 131 H HID 131 -7.073 -11.333 3.058 740 HA HIS 131 HA HID 131 -9.327 -12.863 4.169 741 1HB HIS 131 2HB HID 131 -8.783 -10.265 4.193 742 2HB HIS 131 3HB HID 131 -9.656 -10.264 2.669 743 HD1 HIS 131 1HD HID 131 -11.761 -12.644 4.215 744 HD2 HIS 131 2HD HID 131 -10.555 -8.759 5.347 745 HE1 HIS 131 1HE HID 131 -13.361 -11.860 6.039 746 H ASP 132 H ASP 132 -8.278 -14.460 2.358 747 HA ASP 132 HA ASP 132 -8.778 -14.295 -0.351 748 1HB ASP 132 2HB ASP 132 -9.082 -16.667 1.556 749 2HB ASP 132 3HB ASP 132 -9.208 -16.814 -0.200 Start of MODEL 26 1 H SER 32 H SER 32 15.704 -1.850 14.772 2 HA SER 32 HA SER 32 15.418 -4.620 14.158 3 1HB SER 32 2HB SER 32 12.997 -3.175 15.366 4 2HB SER 32 3HB SER 32 12.957 -4.747 14.549 5 HG SER 32 HG SER 32 14.807 -4.924 16.417 6 H ASN 33 H ASN 33 14.014 -4.790 12.205 7 HA ASN 33 HA ASN 33 14.418 -2.503 10.471 8 1HB ASN 33 2HB ASN 33 13.563 -3.934 8.708 9 2HB ASN 33 3HB ASN 33 14.808 -4.742 9.665 10 1HD2 ASN 33 1HD2 ASN 33 13.858 -6.758 8.667 11 2HD2 ASN 33 2HD2 ASN 33 12.460 -7.450 9.474 12 H LEU 34 H LEU 34 11.770 -3.528 12.444 13 HA LEU 34 HA LEU 34 9.920 -2.414 13.055 14 1HB LEU 34 2HB LEU 34 11.602 -0.463 12.561 15 2HB LEU 34 3HB LEU 34 10.528 -0.083 11.220 16 HG LEU 34 HG LEU 34 9.773 -0.285 14.180 17 1HD1 LEU 34 1HD1 LEU 34 9.614 2.175 14.077 18 2HD1 LEU 34 2HD1 LEU 34 11.252 1.625 13.688 19 3HD1 LEU 34 3HD1 LEU 34 10.160 2.150 12.388 20 1HD2 LEU 34 1HD2 LEU 34 7.814 -0.762 12.815 21 2HD2 LEU 34 2HD2 LEU 34 7.660 0.857 13.500 22 3HD2 LEU 34 3HD2 LEU 34 8.122 0.668 11.797 23 H ASN 35 H ASN 35 9.383 -4.391 11.467 24 HA ASN 35 HA ASN 35 7.831 -3.491 9.092 25 1HB ASN 35 2HB ASN 35 8.270 -5.739 8.271 26 2HB ASN 35 3HB ASN 35 9.766 -4.893 8.679 27 1HD2 ASN 35 1HD2 ASN 35 9.915 -7.625 8.399 28 2HD2 ASN 35 2HD2 ASN 35 10.105 -8.351 9.993 29 H LEU 36 H LEU 36 5.965 -2.965 10.633 30 HA LEU 36 HA LEU 36 4.385 -5.442 11.182 31 1HB LEU 36 2HB LEU 36 3.535 -4.641 13.145 32 2HB LEU 36 3HB LEU 36 5.248 -4.285 13.208 33 HG LEU 36 HG LEU 36 4.271 -2.467 14.179 34 1HD1 LEU 36 1HD1 LEU 36 5.864 -1.751 12.411 35 2HD1 LEU 36 2HD1 LEU 36 4.493 -1.437 11.323 36 3HD1 LEU 36 3HD1 LEU 36 4.657 -0.520 12.824 37 1HD2 LEU 36 1HD2 LEU 36 2.204 -2.058 12.019 38 2HD2 LEU 36 2HD2 LEU 36 1.906 -2.999 13.499 39 3HD2 LEU 36 3HD2 LEU 36 2.328 -1.282 13.597 40 H PHE 37 H PHE 37 2.026 -5.060 11.316 41 HA PHE 37 HA PHE 37 1.143 -3.801 8.811 42 1HB PHE 37 2HB PHE 37 -0.357 -5.525 10.826 43 2HB PHE 37 3HB PHE 37 -0.928 -5.049 9.239 44 HD1 PHE 37 1HD PHE 37 0.501 -5.771 7.195 45 HD2 PHE 37 2HD PHE 37 0.762 -7.637 11.065 46 HE1 PHE 37 1HE PHE 37 1.368 -7.851 6.138 47 HE2 PHE 37 2HE PHE 37 1.654 -9.696 10.015 48 HZ PHE 37 HZ PHE 37 1.931 -9.821 7.546 49 H TYR 38 H TYR 38 0.511 -1.724 8.840 50 HA TYR 38 HA TYR 38 -1.021 -0.776 11.185 51 1HB TYR 38 2HB TYR 38 1.616 -0.204 10.711 52 2HB TYR 38 3HB TYR 38 0.880 1.028 9.703 53 HD1 TYR 38 HD1 TYR 38 0.020 -0.454 13.097 54 HD2 TYR 38 HD2 TYR 38 1.281 3.039 10.898 55 HE1 TYR 38 HE1 TYR 38 -0.326 0.920 15.095 56 HE2 TYR 38 HE2 TYR 38 1.140 4.358 12.974 57 HH TYR 38 HH TYR 38 -0.085 4.468 14.985 58 H THR 39 H THR 39 -2.290 1.068 10.914 59 HA THR 39 HA THR 39 -4.036 0.773 8.731 60 HB THR 39 HB THR 39 -3.764 2.616 11.131 61 HG1 THR 39 1HG THR 39 -5.682 0.652 10.417 62 1HG2 THR 39 1HG2 THR 39 -6.020 2.753 9.108 63 2HG2 THR 39 2HG2 THR 39 -6.068 3.403 10.764 64 3HG2 THR 39 3HG2 THR 39 -4.885 4.034 9.615 65 HA PRO 40 HA PRO 40 -2.057 3.474 5.859 66 1HB PRO 40 2HB PRO 40 -4.197 4.289 4.276 67 2HB PRO 40 3HB PRO 40 -3.260 2.789 4.128 68 1HG PRO 40 2HG PRO 40 -5.888 3.178 5.544 69 2HG PRO 40 3HG PRO 40 -5.391 1.831 4.490 70 1HD PRO 40 2HD PRO 40 -5.346 1.568 7.156 71 2HD PRO 40 3HD PRO 40 -4.005 0.906 6.175 72 H SER 41 H SER 41 -5.054 4.868 7.316 73 HA SER 41 HA SER 41 -4.742 7.470 7.299 74 1HB SER 41 2HB SER 41 -6.119 5.862 8.985 75 2HB SER 41 3HB SER 41 -4.916 6.458 10.117 76 HG SER 41 HG SER 41 -6.651 8.029 8.498 77 H GLU 42 H GLU 42 -2.576 5.506 9.432 78 HA GLU 42 HA GLU 42 -1.343 7.992 10.351 79 1HB GLU 42 2HB GLU 42 -1.791 6.142 11.911 80 2HB GLU 42 3HB GLU 42 -0.592 5.137 11.076 81 1HG GLU 42 2HG GLU 42 1.185 6.338 11.974 82 2HG GLU 42 3HG GLU 42 0.333 7.857 11.783 83 H ILE 43 H ILE 43 -1.006 6.262 7.543 84 HA ILE 43 HA ILE 43 1.699 7.398 7.112 85 HB ILE 43 HB ILE 43 2.133 5.523 5.521 86 1HG1 ILE 43 2HG1 ILE 43 -0.179 4.153 6.927 87 2HG1 ILE 43 3HG1 ILE 43 -0.247 4.824 5.275 88 1HG2 ILE 43 1HG2 ILE 43 1.759 4.650 8.405 89 2HG2 ILE 43 2HG2 ILE 43 2.937 4.034 7.226 90 3HG2 ILE 43 3HG2 ILE 43 3.080 5.685 7.824 91 1HD1 ILE 43 1HD1 ILE 43 1.578 2.569 6.196 92 2HD1 ILE 43 2HD1 ILE 43 0.132 2.455 5.186 93 3HD1 ILE 43 3HD1 ILE 43 1.558 3.306 4.572 94 H VAL 44 H VAL 44 -0.953 8.634 6.847 95 HA VAL 44 HA VAL 44 -0.183 9.616 4.140 96 HB VAL 44 HB VAL 44 -2.222 8.743 3.633 97 1HG1 VAL 44 1HG1 VAL 44 -3.401 9.793 6.201 98 2HG1 VAL 44 2HG1 VAL 44 -4.360 9.306 4.802 99 3HG1 VAL 44 3HG1 VAL 44 -3.296 8.137 5.588 100 1HG2 VAL 44 1HG2 VAL 44 -1.869 11.044 2.825 101 2HG2 VAL 44 2HG2 VAL 44 -3.578 10.614 2.991 102 3HG2 VAL 44 3HG2 VAL 44 -2.818 11.664 4.195 103 H ASN 45 H ASN 45 -2.085 10.931 6.910 104 HA ASN 45 HA ASN 45 -1.294 13.560 6.069 105 1HB ASN 45 2HB ASN 45 -2.950 12.839 8.522 106 2HB ASN 45 3HB ASN 45 -2.893 14.366 7.647 107 1HD2 ASN 45 1HD2 ASN 45 -4.484 11.332 7.969 108 2HD2 ASN 45 2HD2 ASN 45 -5.514 11.500 6.560 109 H GLY 46 H GLY 46 0.727 14.209 6.672 110 1HA GLY 46 1HA GLY 46 2.237 15.241 8.202 111 2HA GLY 46 2HA GLY 46 1.212 14.727 9.540 112 H LYS 47 H LYS 47 2.572 12.759 6.907 113 HA LYS 47 HA LYS 47 4.453 11.391 8.566 114 1HB LYS 47 2HB LYS 47 1.746 10.084 8.045 115 2HB LYS 47 3HB LYS 47 3.211 9.120 8.135 116 1HG LYS 47 2HG LYS 47 2.891 8.978 10.315 117 2HG LYS 47 3HG LYS 47 3.531 10.612 10.395 118 1HD LYS 47 2HD LYS 47 1.095 11.392 10.063 119 2HD LYS 47 3HD LYS 47 0.598 9.761 10.437 120 1HE LYS 47 2HE LYS 47 2.332 11.582 12.194 121 2HE LYS 47 3HE LYS 47 0.588 11.388 12.387 122 1HZ LYS 47 1HZ LYS 47 0.857 9.208 13.157 123 2HZ LYS 47 2HZ LYS 47 2.378 9.065 12.584 124 3HZ LYS 47 3HZ LYS 47 2.032 10.016 13.885 125 H THR 48 H THR 48 2.677 9.773 5.939 126 HA THR 48 HA THR 48 5.088 9.456 4.378 127 HB THR 48 HB THR 48 2.147 9.042 3.731 128 HG1 THR 48 1HG THR 48 2.479 7.053 4.413 129 1HG2 THR 48 1HG2 THR 48 3.186 9.083 1.650 130 2HG2 THR 48 2HG2 THR 48 4.637 8.246 2.228 131 3HG2 THR 48 3HG2 THR 48 3.091 7.368 2.052 132 H ASP 49 H ASP 49 1.994 11.263 3.707 133 HA ASP 49 HA ASP 49 2.738 12.271 1.178 134 1HB ASP 49 2HB ASP 49 0.449 12.260 2.047 135 2HB ASP 49 3HB ASP 49 0.893 13.427 3.309 136 H THR 50 H THR 50 3.077 13.571 4.408 137 HA THR 50 HA THR 50 4.465 15.965 3.700 138 HB THR 50 HB THR 50 4.443 14.796 6.471 139 HG1 THR 50 1HG THR 50 2.122 15.418 4.979 140 1HG2 THR 50 1HG2 THR 50 3.676 17.045 7.069 141 2HG2 THR 50 2HG2 THR 50 5.079 17.190 5.988 142 3HG2 THR 50 3HG2 THR 50 3.443 17.460 5.357 143 H GLY 51 H GLY 51 5.518 12.692 4.162 144 1HA GLY 51 1HA GLY 51 7.456 11.636 4.561 145 2HA GLY 51 2HA GLY 51 8.212 12.997 3.725 146 H VAL 52 H VAL 52 6.550 12.873 6.933 147 HA VAL 52 HA VAL 52 9.012 14.219 8.043 148 HB VAL 52 HB VAL 52 7.676 15.041 9.855 149 1HG1 VAL 52 1HG1 VAL 52 6.516 15.670 7.126 150 2HG1 VAL 52 2HG1 VAL 52 6.449 16.711 8.557 151 3HG1 VAL 52 3HG1 VAL 52 8.007 16.353 7.791 152 1HG2 VAL 52 1HG2 VAL 52 5.885 13.419 10.100 153 2HG2 VAL 52 2HG2 VAL 52 5.184 14.987 9.699 154 3HG2 VAL 52 3HG2 VAL 52 5.318 13.740 8.445 155 H LYS 53 H LYS 53 6.749 11.632 9.009 156 HA LYS 53 HA LYS 53 8.722 10.748 11.048 157 1HB LYS 53 2HB LYS 53 5.764 10.496 10.725 158 2HB LYS 53 3HB LYS 53 6.612 9.233 11.631 159 1HG LYS 53 2HG LYS 53 7.136 12.165 12.214 160 2HG LYS 53 3HG LYS 53 5.692 11.375 12.858 161 1HD LYS 53 2HD LYS 53 7.004 9.661 13.972 162 2HD LYS 53 3HD LYS 53 8.514 10.245 13.250 163 1HE LYS 53 2HE LYS 53 8.425 12.318 14.484 164 2HE LYS 53 3HE LYS 53 6.775 11.987 15.035 165 1HZ LYS 53 1HZ LYS 53 9.166 10.419 15.784 166 2HZ LYS 53 2HZ LYS 53 8.426 11.534 16.734 167 3HZ LYS 53 3HZ LYS 53 7.636 10.153 16.329 168 HA PRO 54 HA PRO 54 8.606 6.793 8.481 169 1HB PRO 54 2HB PRO 54 6.842 6.259 6.546 170 2HB PRO 54 3HB PRO 54 6.413 6.089 8.271 171 1HG PRO 54 2HG PRO 54 5.850 8.456 6.466 172 2HG PRO 54 3HG PRO 54 4.694 7.560 7.492 173 1HD PRO 54 2HD PRO 54 5.979 9.869 8.303 174 2HD PRO 54 3HD PRO 54 5.546 8.565 9.458 175 H GLU 55 H GLU 55 10.276 8.712 8.029 176 HA GLU 55 HA GLU 55 10.414 10.044 5.581 177 1HB GLU 55 2HB GLU 55 12.655 8.774 7.233 178 2HB GLU 55 3HB GLU 55 12.898 9.856 5.858 179 1HG GLU 55 2HG GLU 55 11.594 11.634 7.029 180 2HG GLU 55 3HG GLU 55 11.496 10.593 8.462 181 H ALA 56 H ALA 56 11.111 9.483 3.526 182 HA ALA 56 HA ALA 56 10.386 6.925 2.740 183 1HB ALA 56 1HB ALA 56 10.275 8.843 1.288 184 2HB ALA 56 2HB ALA 56 12.049 8.942 1.214 185 3HB ALA 56 3HB ALA 56 11.189 7.552 0.488 186 H GLY 57 H GLY 57 11.574 5.024 2.441 187 1HA GLY 57 1HA GLY 57 13.836 3.916 2.547 188 2HA GLY 57 2HA GLY 57 14.229 5.035 3.863 189 H GLN 58 H GLN 58 11.351 4.910 4.965 190 HA GLN 58 HA GLN 58 11.951 2.583 6.621 191 1HB GLN 58 2HB GLN 58 9.805 4.709 6.705 192 2HB GLN 58 3HB GLN 58 9.706 3.250 7.711 193 1HG GLN 58 2HG GLN 58 11.911 3.662 8.680 194 2HG GLN 58 3HG GLN 58 12.130 5.076 7.635 195 1HE2 GLN 58 1HE2 GLN 58 11.630 6.957 8.512 196 2HE2 GLN 58 2HE2 GLN 58 10.544 7.271 9.853 197 H ARG 59 H ARG 59 10.985 0.718 6.769 198 HA ARG 59 HA ARG 59 9.287 -0.128 4.513 199 1HB ARG 59 2HB ARG 59 10.457 -2.271 4.624 200 2HB ARG 59 3HB ARG 59 11.596 -0.941 4.468 201 1HG ARG 59 2HG ARG 59 12.736 -1.909 6.147 202 2HG ARG 59 3HG ARG 59 11.534 -1.215 7.213 203 1HD ARG 59 2HD ARG 59 11.379 -3.374 7.888 204 2HD ARG 59 3HD ARG 59 10.156 -3.413 6.633 205 HE ARG 59 HE ARG 59 13.011 -4.123 6.061 206 1HH1 ARG 59 2HH2 ARG 59 9.617 -5.182 5.884 207 2HH1 ARG 59 1HH2 ARG 59 10.012 -6.772 5.372 208 1HH2 ARG 59 1HH1 ARG 59 13.517 -6.233 5.370 209 2HH2 ARG 59 2HH1 ARG 59 12.271 -7.398 5.089 210 H ILE 60 H ILE 60 7.195 -0.474 5.150 211 HA ILE 60 HA ILE 60 6.673 -1.661 7.796 212 HB ILE 60 HB ILE 60 5.304 -0.049 8.609 213 1HG1 ILE 60 2HG1 ILE 60 3.827 0.395 6.763 214 2HG1 ILE 60 3HG1 ILE 60 4.357 1.878 7.535 215 1HG2 ILE 60 1HG2 ILE 60 6.492 2.092 8.694 216 2HG2 ILE 60 2HG2 ILE 60 7.620 0.736 8.778 217 3HG2 ILE 60 3HG2 ILE 60 7.461 1.671 7.286 218 1HD1 ILE 60 1HD1 ILE 60 5.986 2.265 5.697 219 2HD1 ILE 60 2HD1 ILE 60 5.385 0.810 4.871 220 3HD1 ILE 60 3HD1 ILE 60 4.304 2.182 5.157 221 H ARG 61 H ARG 61 4.134 -2.287 7.831 222 HA ARG 61 HA ARG 61 3.515 -3.142 5.060 223 1HB ARG 61 2HB ARG 61 2.546 -4.487 7.536 224 2HB ARG 61 3HB ARG 61 2.611 -5.112 5.901 225 1HG ARG 61 2HG ARG 61 5.157 -5.256 6.201 226 2HG ARG 61 3HG ARG 61 4.964 -4.592 7.802 227 1HD ARG 61 2HD ARG 61 3.412 -6.474 8.373 228 2HD ARG 61 3HD ARG 61 3.764 -7.208 6.810 229 HE ARG 61 HE ARG 61 5.561 -6.784 9.162 230 1HH1 ARG 61 2HH2 ARG 61 5.269 -8.254 5.958 231 2HH1 ARG 61 1HH2 ARG 61 6.485 -9.446 6.224 232 1HH2 ARG 61 1HH1 ARG 61 7.182 -8.228 9.532 233 2HH2 ARG 61 2HH1 ARG 61 7.603 -9.461 8.377 234 H VAL 62 H VAL 62 1.652 -2.289 4.269 235 HA VAL 62 HA VAL 62 0.014 -0.505 6.013 236 HB VAL 62 HB VAL 62 0.776 0.573 4.021 237 1HG1 VAL 62 1HG1 VAL 62 0.248 -0.112 1.763 238 2HG1 VAL 62 2HG1 VAL 62 1.199 -1.377 2.531 239 3HG1 VAL 62 3HG1 VAL 62 -0.567 -1.570 2.337 240 1HG2 VAL 62 1HG2 VAL 62 -1.610 0.950 4.809 241 2HG2 VAL 62 2HG2 VAL 62 -1.337 1.300 3.089 242 3HG2 VAL 62 3HG2 VAL 62 -2.146 -0.198 3.568 243 H GLY 63 H GLY 63 -2.012 -1.250 6.681 244 1HA GLY 63 1HA GLY 63 -3.138 -3.654 5.266 245 2HA GLY 63 2HA GLY 63 -2.959 -3.572 7.023 246 H GLY 64 H GLY 64 -5.240 -3.392 4.688 247 1HA GLY 64 1HA GLY 64 -7.182 -2.173 6.273 248 2HA GLY 64 2HA GLY 64 -6.573 -0.910 5.169 249 H MET 65 H MET 65 -8.963 -1.126 4.482 250 HA MET 65 HA MET 65 -9.490 -3.502 2.776 251 1HB MET 65 2HB MET 65 -11.751 -2.640 2.618 252 2HB MET 65 3HB MET 65 -11.247 -3.032 4.252 253 1HG MET 65 2HG MET 65 -11.395 -0.919 5.018 254 2HG MET 65 3HG MET 65 -10.741 -0.205 3.547 255 1HE MET 65 1HE MET 65 -11.875 -0.024 1.412 256 2HE MET 65 2HE MET 65 -12.982 -1.404 1.313 257 3HE MET 65 3HE MET 65 -13.628 0.243 1.181 258 H VAL 66 H VAL 66 -9.623 -3.482 0.536 259 HA VAL 66 HA VAL 66 -8.800 -0.882 -0.711 260 HB VAL 66 HB VAL 66 -7.254 -2.807 -0.832 261 1HG1 VAL 66 1HG1 VAL 66 -8.933 -4.046 -2.946 262 2HG1 VAL 66 2HG1 VAL 66 -7.762 -4.808 -1.843 263 3HG1 VAL 66 3HG1 VAL 66 -9.386 -4.403 -1.281 264 1HG2 VAL 66 1HG2 VAL 66 -7.235 -0.935 -2.432 265 2HG2 VAL 66 2HG2 VAL 66 -6.700 -2.423 -3.176 266 3HG2 VAL 66 3HG2 VAL 66 -8.332 -1.820 -3.513 267 H THR 67 H THR 67 -9.913 -0.125 -2.508 268 HA THR 67 HA THR 67 -12.773 -0.743 -2.500 269 HB THR 67 HB THR 67 -10.954 1.456 -3.532 270 HG1 THR 67 1HG THR 67 -13.017 1.367 -1.601 271 1HG2 THR 67 1HG2 THR 67 -13.945 1.210 -4.043 272 2HG2 THR 67 2HG2 THR 67 -12.994 2.710 -4.187 273 3HG2 THR 67 3HG2 THR 67 -12.625 1.350 -5.242 274 H VAL 68 H VAL 68 -13.754 -1.777 -4.131 275 HA VAL 68 HA VAL 68 -12.556 -3.441 -5.905 276 HB VAL 68 HB VAL 68 -14.869 -3.561 -5.315 277 1HG1 VAL 68 1HG1 VAL 68 -15.441 -1.473 -7.462 278 2HG1 VAL 68 2HG1 VAL 68 -16.601 -2.340 -6.451 279 3HG1 VAL 68 3HG1 VAL 68 -15.512 -1.153 -5.712 280 1HG2 VAL 68 1HG2 VAL 68 -13.949 -4.884 -7.181 281 2HG2 VAL 68 2HG2 VAL 68 -15.649 -4.465 -7.457 282 3HG2 VAL 68 3HG2 VAL 68 -14.372 -3.595 -8.325 283 H GLY 69 H GLY 69 -13.546 -0.105 -6.703 284 1HA GLY 69 1HA GLY 69 -12.263 -0.272 -9.401 285 2HA GLY 69 2HA GLY 69 -13.428 0.929 -8.833 286 H SER 70 H SER 70 -10.108 -0.296 -8.077 287 HA SER 70 HA SER 70 -9.199 2.535 -7.959 288 1HB SER 70 2HB SER 70 -8.937 0.540 -5.671 289 2HB SER 70 3HB SER 70 -8.051 2.071 -5.801 290 HG SER 70 HG SER 70 -10.573 2.605 -6.327 291 H MET 71 H MET 71 -8.185 -0.916 -7.904 292 HA MET 71 HA MET 71 -5.562 -0.533 -8.639 293 1HB MET 71 2HB MET 71 -6.200 -2.717 -8.197 294 2HB MET 71 3HB MET 71 -7.514 -2.713 -9.392 295 1HG MET 71 2HG MET 71 -6.065 -2.876 -11.203 296 2HG MET 71 3HG MET 71 -4.653 -2.314 -10.295 297 1HE MET 71 1HE MET 71 -4.536 -4.156 -7.694 298 2HE MET 71 2HE MET 71 -3.383 -5.279 -8.447 299 3HE MET 71 3HE MET 71 -3.248 -3.543 -8.769 300 H VAL 72 H VAL 72 -4.541 0.304 -10.317 301 HA VAL 72 HA VAL 72 -5.749 -0.055 -13.003 302 HB VAL 72 HB VAL 72 -4.705 2.009 -13.810 303 1HG1 VAL 72 1HG1 VAL 72 -7.114 1.890 -13.167 304 2HG1 VAL 72 2HG1 VAL 72 -6.699 2.472 -11.543 305 3HG1 VAL 72 3HG1 VAL 72 -6.434 3.511 -12.953 306 1HG2 VAL 72 1HG2 VAL 72 -2.994 2.482 -12.176 307 2HG2 VAL 72 2HG2 VAL 72 -4.153 3.815 -12.170 308 3HG2 VAL 72 3HG2 VAL 72 -4.201 2.620 -10.863 309 H ARG 73 H ARG 73 -4.549 -1.379 -14.134 310 HA ARG 73 HA ARG 73 -1.767 -1.944 -13.265 311 1HB ARG 73 2HB ARG 73 -2.114 -4.247 -14.065 312 2HB ARG 73 3HB ARG 73 -3.097 -3.820 -12.664 313 1HG ARG 73 2HG ARG 73 -4.813 -4.718 -13.709 314 2HG ARG 73 3HG ARG 73 -4.820 -3.375 -14.853 315 1HD ARG 73 2HD ARG 73 -3.111 -5.908 -15.173 316 2HD ARG 73 3HD ARG 73 -4.730 -5.796 -15.812 317 HE ARG 73 HE ARG 73 -2.296 -4.474 -16.841 318 1HH1 ARG 73 2HH2 ARG 73 -5.813 -4.271 -16.766 319 2HH1 ARG 73 1HH2 ARG 73 -5.960 -3.508 -18.321 320 1HH2 ARG 73 1HH1 ARG 73 -2.431 -3.568 -18.826 321 2HH2 ARG 73 2HH1 ARG 73 -3.935 -3.021 -19.540 322 H ASP 74 H ASP 74 -0.157 -2.030 -14.857 323 HA ASP 74 HA ASP 74 -0.795 -0.519 -17.198 324 1HB ASP 74 2HB ASP 74 1.642 -1.839 -15.983 325 2HB ASP 74 3HB ASP 74 1.709 -1.406 -17.674 326 HA PRO 75 HA PRO 75 -0.892 -3.995 -20.171 327 1HB PRO 75 2HB PRO 75 0.079 -2.844 -22.443 328 2HB PRO 75 3HB PRO 75 -1.506 -2.340 -21.786 329 1HG PRO 75 2HG PRO 75 1.177 -0.981 -21.376 330 2HG PRO 75 3HG PRO 75 -0.364 -0.226 -21.870 331 1HD PRO 75 2HD PRO 75 0.504 -0.225 -19.274 332 2HD PRO 75 3HD PRO 75 -1.227 -0.346 -19.676 333 H ASN 76 H ASN 76 2.000 -2.162 -19.454 334 HA ASN 76 HA ASN 76 3.973 -4.013 -20.174 335 1HB ASN 76 2HB ASN 76 3.785 -2.448 -17.552 336 2HB ASN 76 3HB ASN 76 5.229 -3.178 -18.267 337 1HD2 ASN 76 1HD2 ASN 76 3.577 -0.137 -18.052 338 2HD2 ASN 76 2HD2 ASN 76 4.355 0.520 -19.460 339 H SER 77 H SER 77 1.412 -4.290 -17.746 340 HA SER 77 HA SER 77 0.628 -6.002 -16.548 341 1HB SER 77 2HB SER 77 2.361 -7.802 -18.297 342 2HB SER 77 3HB SER 77 0.954 -8.270 -17.341 343 HG SER 77 HG SER 77 0.977 -6.441 -19.535 344 H LEU 78 H LEU 78 3.225 -4.728 -15.910 345 HA LEU 78 HA LEU 78 4.168 -6.479 -13.693 346 1HB LEU 78 2HB LEU 78 6.406 -5.483 -13.979 347 2HB LEU 78 3HB LEU 78 5.854 -6.726 -15.088 348 HG LEU 78 HG LEU 78 5.110 -4.457 -16.492 349 1HD1 LEU 78 1HD1 LEU 78 6.852 -2.850 -16.400 350 2HD1 LEU 78 2HD1 LEU 78 6.143 -3.058 -14.781 351 3HD1 LEU 78 3HD1 LEU 78 7.719 -3.784 -15.145 352 1HD2 LEU 78 1HD2 LEU 78 6.187 -6.455 -17.314 353 2HD2 LEU 78 2HD2 LEU 78 6.951 -4.979 -17.933 354 3HD2 LEU 78 3HD2 LEU 78 7.741 -5.918 -16.625 355 H HIS 79 H HID 79 3.493 -3.096 -14.856 356 HA HIS 79 HA HID 79 4.009 -2.094 -12.139 357 1HB HIS 79 2HB HID 79 3.331 -0.771 -14.770 358 2HB HIS 79 3HB HID 79 3.296 0.081 -13.225 359 HD1 HIS 79 1HD HID 79 5.881 -0.478 -11.827 360 HD2 HIS 79 2HD HID 79 5.542 -0.285 -16.023 361 HE1 HIS 79 1HE HID 79 8.220 -0.012 -12.729 362 H VAL 80 H VAL 80 2.409 -1.955 -10.714 363 HA VAL 80 HA VAL 80 -0.380 -1.750 -11.640 364 HB VAL 80 HB VAL 80 -1.085 -3.594 -10.126 365 1HG1 VAL 80 1HG1 VAL 80 0.853 -4.745 -12.154 366 2HG1 VAL 80 2HG1 VAL 80 -0.726 -5.372 -11.639 367 3HG1 VAL 80 3HG1 VAL 80 -0.620 -3.900 -12.623 368 1HG2 VAL 80 1HG2 VAL 80 0.760 -3.879 -8.624 369 2HG2 VAL 80 2HG2 VAL 80 0.625 -5.373 -9.561 370 3HG2 VAL 80 3HG2 VAL 80 1.895 -4.219 -9.964 371 H GLN 81 H GLN 81 -1.591 -0.470 -10.269 372 HA GLN 81 HA GLN 81 -0.451 0.064 -7.580 373 1HB GLN 81 2HB GLN 81 -0.718 2.520 -7.926 374 2HB GLN 81 3HB GLN 81 0.643 1.805 -8.809 375 1HG GLN 81 2HG GLN 81 -0.333 2.053 -10.884 376 2HG GLN 81 3HG GLN 81 -1.974 1.987 -10.245 377 1HE2 GLN 81 1HE2 GLN 81 -2.887 3.862 -9.158 378 2HE2 GLN 81 2HE2 GLN 81 -2.247 5.452 -9.539 379 H PHE 82 H PHE 82 -1.934 0.892 -6.092 380 HA PHE 82 HA PHE 82 -4.790 0.947 -6.868 381 1HB PHE 82 2HB PHE 82 -5.354 -1.005 -5.514 382 2HB PHE 82 3HB PHE 82 -4.261 -1.448 -6.791 383 HD1 PHE 82 1HD PHE 82 -1.868 -2.063 -6.327 384 HD2 PHE 82 2HD PHE 82 -4.658 -1.182 -3.169 385 HE1 PHE 82 1HE PHE 82 -0.457 -3.323 -4.725 386 HE2 PHE 82 2HE PHE 82 -3.238 -2.460 -1.575 387 HZ PHE 82 HZ PHE 82 -1.236 -3.644 -2.364 388 H ALA 83 H ALA 83 -6.111 1.779 -5.239 389 HA ALA 83 HA ALA 83 -4.686 3.369 -3.175 390 1HB ALA 83 1HB ALA 83 -6.651 4.756 -3.135 391 2HB ALA 83 2HB ALA 83 -6.097 4.589 -4.810 392 3HB ALA 83 3HB ALA 83 -7.515 3.678 -4.239 393 H VAL 84 H VAL 84 -4.841 2.751 -1.088 394 HA VAL 84 HA VAL 84 -6.960 0.779 -0.270 395 HB VAL 84 HB VAL 84 -4.220 1.271 0.984 396 1HG1 VAL 84 1HG1 VAL 84 -6.334 -0.880 1.488 397 2HG1 VAL 84 2HG1 VAL 84 -4.719 -0.836 2.218 398 3HG1 VAL 84 3HG1 VAL 84 -5.890 0.423 2.610 399 1HG2 VAL 84 1HG2 VAL 84 -3.928 0.186 -1.204 400 2HG2 VAL 84 2HG2 VAL 84 -3.627 -0.957 0.112 401 3HG2 VAL 84 3HG2 VAL 84 -5.167 -1.022 -0.778 402 H HIS 85 H HID 85 -8.044 1.290 1.761 403 HA HIS 85 HA HID 85 -7.269 3.640 3.216 404 1HB HIS 85 2HB HID 85 -9.103 5.045 2.900 405 2HB HIS 85 3HB HID 85 -8.654 4.585 1.257 406 HD1 HIS 85 1HD HID 85 -11.558 5.633 2.138 407 HD2 HIS 85 2HD HID 85 -10.295 1.732 1.226 408 HE1 HIS 85 1HE HID 85 -13.637 4.347 1.402 409 H ASP 86 H ASP 86 -9.485 3.908 4.873 410 HA ASP 86 HA ASP 86 -10.501 1.235 5.546 411 1HB ASP 86 2HB ASP 86 -8.043 2.422 6.688 412 2HB ASP 86 3HB ASP 86 -9.154 2.041 7.959 413 H SER 87 H SER 87 -12.321 2.812 4.971 414 HA SER 87 HA SER 87 -14.030 4.211 5.667 415 1HB SER 87 2HB SER 87 -13.483 2.683 8.242 416 2HB SER 87 3HB SER 87 -14.991 3.508 7.812 417 HG SER 87 HG SER 87 -14.920 1.206 7.285 418 H LEU 88 H LEU 88 -12.883 6.085 5.523 419 HA LEU 88 HA LEU 88 -11.505 7.760 5.715 420 1HB LEU 88 2HB LEU 88 -13.663 8.070 7.691 421 2HB LEU 88 3HB LEU 88 -12.255 8.815 8.337 422 HG LEU 88 HG LEU 88 -14.019 10.113 7.024 423 1HD1 LEU 88 1HD1 LEU 88 -11.996 11.104 7.950 424 2HD1 LEU 88 2HD1 LEU 88 -11.060 10.598 6.527 425 3HD1 LEU 88 3HD1 LEU 88 -12.357 11.808 6.367 426 1HD2 LEU 88 1HD2 LEU 88 -13.903 8.695 4.947 427 2HD2 LEU 88 2HD2 LEU 88 -13.806 10.449 4.710 428 3HD2 LEU 88 3HD2 LEU 88 -12.336 9.474 4.592 429 H GLY 89 H GLY 89 -10.674 5.151 7.504 430 1HA GLY 89 1HA GLY 89 -8.437 6.302 8.881 431 2HA GLY 89 2HA GLY 89 -8.613 4.656 8.265 432 H GLY 90 H GLY 90 -8.643 7.789 6.573 433 1HA GLY 90 1HA GLY 90 -7.457 8.750 4.922 434 2HA GLY 90 2HA GLY 90 -6.075 8.069 5.748 435 H GLU 91 H GLU 91 -7.611 8.276 2.767 436 HA GLU 91 HA GLU 91 -6.870 5.738 1.668 437 1HB GLU 91 2HB GLU 91 -8.512 7.383 0.630 438 2HB GLU 91 3HB GLU 91 -7.115 8.384 0.189 439 1HG GLU 91 2HG GLU 91 -6.215 6.413 -1.122 440 2HG GLU 91 3HG GLU 91 -7.701 5.533 -0.734 441 H ILE 92 H ILE 92 -4.978 5.076 0.678 442 HA ILE 92 HA ILE 92 -2.854 7.034 0.211 443 HB ILE 92 HB ILE 92 -2.706 5.686 2.545 444 1HG1 ILE 92 2HG1 ILE 92 -1.182 7.383 2.137 445 2HG1 ILE 92 3HG1 ILE 92 -0.259 5.935 2.512 446 1HG2 ILE 92 1HG2 ILE 92 -1.201 3.809 0.693 447 2HG2 ILE 92 2HG2 ILE 92 -1.264 3.770 2.462 448 3HG2 ILE 92 3HG2 ILE 92 -2.731 3.455 1.526 449 1HD1 ILE 92 1HD1 ILE 92 0.066 5.699 -0.054 450 2HD1 ILE 92 2HD1 ILE 92 -0.546 7.371 -0.140 451 3HD1 ILE 92 3HD1 ILE 92 0.914 7.012 0.777 452 H LEU 93 H LEU 93 -1.544 6.427 -1.541 453 HA LEU 93 HA LEU 93 -2.650 4.298 -3.270 454 1HB LEU 93 2HB LEU 93 -1.056 6.824 -3.649 455 2HB LEU 93 3HB LEU 93 -0.799 5.526 -4.819 456 HG LEU 93 HG LEU 93 -3.627 6.344 -4.140 457 1HD1 LEU 93 1HD1 LEU 93 -2.508 8.471 -4.658 458 2HD1 LEU 93 2HD1 LEU 93 -1.796 7.768 -6.126 459 3HD1 LEU 93 3HD1 LEU 93 -3.556 7.983 -6.001 460 1HD2 LEU 93 1HD2 LEU 93 -2.351 5.497 -6.776 461 2HD2 LEU 93 2HD2 LEU 93 -2.949 4.308 -5.601 462 3HD2 LEU 93 3HD2 LEU 93 -4.076 5.466 -6.339 463 H VAL 94 H VAL 94 -1.717 2.377 -3.294 464 HA VAL 94 HA VAL 94 1.090 2.028 -2.354 465 HB VAL 94 HB VAL 94 -1.160 0.016 -2.799 466 1HG1 VAL 94 1HG1 VAL 94 1.058 -0.992 -3.090 467 2HG1 VAL 94 2HG1 VAL 94 1.622 -0.253 -1.574 468 3HG1 VAL 94 3HG1 VAL 94 0.371 -1.515 -1.545 469 1HG2 VAL 94 1HG2 VAL 94 -1.170 -0.139 -0.305 470 2HG2 VAL 94 2HG2 VAL 94 -0.050 1.240 -0.235 471 3HG2 VAL 94 3HG2 VAL 94 -1.693 1.449 -0.874 472 H THR 95 H THR 95 2.650 1.617 -3.947 473 HA THR 95 HA THR 95 1.643 1.130 -6.713 474 HB THR 95 HB THR 95 3.848 2.272 -7.309 475 HG1 THR 95 1HG THR 95 4.935 2.224 -5.372 476 1HG2 THR 95 1HG2 THR 95 3.014 4.541 -6.915 477 2HG2 THR 95 2HG2 THR 95 1.673 3.491 -7.411 478 3HG2 THR 95 3HG2 THR 95 1.862 3.946 -5.702 479 H TYR 96 H TYR 96 2.700 -0.451 -7.930 480 HA TYR 96 HA TYR 96 4.767 -2.146 -6.620 481 1HB TYR 96 2HB TYR 96 1.925 -2.693 -7.223 482 2HB TYR 96 3HB TYR 96 3.013 -3.760 -8.109 483 HD1 TYR 96 HD1 TYR 96 3.878 -5.656 -7.136 484 HD2 TYR 96 HD2 TYR 96 2.064 -2.588 -4.711 485 HE1 TYR 96 HE1 TYR 96 3.661 -7.255 -5.291 486 HE2 TYR 96 HE2 TYR 96 1.877 -4.212 -2.826 487 HH TYR 96 HH TYR 96 3.268 -7.479 -3.074 488 H ASP 97 H ASP 97 6.333 -2.792 -8.099 489 HA ASP 97 HA ASP 97 5.804 -2.438 -10.985 490 1HB ASP 97 2HB ASP 97 8.270 -2.276 -11.122 491 2HB ASP 97 3HB ASP 97 7.560 -1.005 -10.113 492 H ASP 98 H ASP 98 5.349 -4.816 -8.923 493 HA ASP 98 HA ASP 98 6.344 -6.924 -10.800 494 1HB ASP 98 2HB ASP 98 5.954 -6.999 -7.757 495 2HB ASP 98 3HB ASP 98 6.068 -8.456 -8.744 496 H LEU 99 H LEU 99 4.945 -8.778 -10.905 497 HA LEU 99 HA LEU 99 2.115 -8.161 -11.071 498 1HB LEU 99 2HB LEU 99 3.618 -10.815 -11.178 499 2HB LEU 99 3HB LEU 99 1.870 -10.638 -11.313 500 HG LEU 99 HG LEU 99 2.620 -8.812 -13.168 501 1HD1 LEU 99 1HD1 LEU 99 4.392 -9.792 -14.585 502 2HD1 LEU 99 2HD1 LEU 99 5.039 -9.358 -12.996 503 3HD1 LEU 99 3HD1 LEU 99 4.679 -11.057 -13.374 504 1HD2 LEU 99 1HD2 LEU 99 0.944 -10.561 -13.476 505 2HD2 LEU 99 2HD2 LEU 99 2.052 -10.529 -14.856 506 3HD2 LEU 99 3HD2 LEU 99 2.217 -11.795 -13.617 507 H LEU 100 H LEU 100 0.754 -8.085 -9.458 508 HA LEU 100 HA LEU 100 1.397 -8.937 -6.779 509 1HB LEU 100 2HB LEU 100 -1.063 -7.874 -8.276 510 2HB LEU 100 3HB LEU 100 -1.205 -8.393 -6.604 511 HG LEU 100 HG LEU 100 0.933 -6.378 -7.362 512 1HD1 LEU 100 1HD1 LEU 100 -1.226 -5.477 -8.195 513 2HD1 LEU 100 2HD1 LEU 100 -1.941 -5.719 -6.580 514 3HD1 LEU 100 3HD1 LEU 100 -0.615 -4.566 -6.806 515 1HD2 LEU 100 1HD2 LEU 100 1.004 -7.399 -5.124 516 2HD2 LEU 100 2HD2 LEU 100 0.465 -5.699 -4.995 517 3HD2 LEU 100 3HD2 LEU 100 -0.697 -7.001 -4.861 518 HA PRO 101 HA PRO 101 -0.387 -13.131 -7.077 519 1HB PRO 101 2HB PRO 101 -1.513 -13.528 -4.630 520 2HB PRO 101 3HB PRO 101 0.259 -13.337 -4.808 521 1HG PRO 101 2HG PRO 101 -1.758 -11.143 -4.174 522 2HG PRO 101 3HG PRO 101 -0.357 -11.598 -3.187 523 1HD PRO 101 2HD PRO 101 -0.176 -9.601 -5.014 524 2HD PRO 101 3HD PRO 101 1.170 -10.769 -4.915 525 H ASP 102 H ASP 102 -2.493 -14.167 -7.404 526 HA ASP 102 HA ASP 102 -4.547 -14.165 -8.287 527 1HB ASP 102 2HB ASP 102 -4.782 -13.118 -5.609 528 2HB ASP 102 3HB ASP 102 -6.033 -12.371 -6.579 529 H LEU 103 H LEU 103 -2.745 -11.767 -9.123 530 HA LEU 103 HA LEU 103 -2.847 -9.886 -10.320 531 1HB LEU 103 2HB LEU 103 -4.055 -10.819 -12.013 532 2HB LEU 103 3HB LEU 103 -5.524 -11.049 -11.112 533 HG LEU 103 HG LEU 103 -5.719 -9.511 -12.899 534 1HD1 LEU 103 1HD1 LEU 103 -6.483 -8.265 -10.273 535 2HD1 LEU 103 2HD1 LEU 103 -7.065 -7.820 -11.879 536 3HD1 LEU 103 3HD1 LEU 103 -7.360 -9.444 -11.256 537 1HD2 LEU 103 1HD2 LEU 103 -4.139 -8.032 -13.366 538 2HD2 LEU 103 2HD2 LEU 103 -4.783 -7.034 -12.052 539 3HD2 LEU 103 3HD2 LEU 103 -3.418 -8.125 -11.759 540 H PHE 104 H PHE 104 -4.328 -10.345 -7.421 541 HA PHE 104 HA PHE 104 -5.420 -9.185 -5.873 542 1HB PHE 104 2HB PHE 104 -3.243 -7.983 -6.217 543 2HB PHE 104 3HB PHE 104 -4.126 -6.757 -7.111 544 HD1 PHE 104 1HD PHE 104 -6.239 -5.696 -5.771 545 HD2 PHE 104 2HD PHE 104 -2.649 -7.362 -4.047 546 HE1 PHE 104 1HE PHE 104 -6.631 -4.456 -3.781 547 HE2 PHE 104 2HE PHE 104 -2.735 -5.604 -2.375 548 HZ PHE 104 HZ PHE 104 -4.823 -4.226 -2.101 549 H ARG 105 H ARG 105 -7.453 -9.791 -7.083 550 HA ARG 105 HA ARG 105 -8.698 -7.755 -8.759 551 1HB ARG 105 2HB ARG 105 -9.846 -10.038 -7.117 552 2HB ARG 105 3HB ARG 105 -10.619 -9.329 -8.533 553 1HG ARG 105 2HG ARG 105 -9.431 -10.573 -10.030 554 2HG ARG 105 3HG ARG 105 -7.915 -10.348 -9.181 555 1HD ARG 105 2HD ARG 105 -8.363 -12.671 -9.090 556 2HD ARG 105 3HD ARG 105 -8.623 -12.047 -7.463 557 HE ARG 105 HE ARG 105 -11.071 -11.991 -8.965 558 1HH1 ARG 105 2HH2 ARG 105 -8.905 -14.296 -7.265 559 2HH1 ARG 105 1HH2 ARG 105 -10.130 -15.483 -7.061 560 1HH2 ARG 105 1HH1 ARG 105 -12.661 -13.643 -8.775 561 2HH2 ARG 105 2HH1 ARG 105 -12.294 -15.124 -7.950 562 H GLU 106 H GLU 106 -8.038 -6.811 -5.881 563 HA GLU 106 HA GLU 106 -8.842 -5.112 -4.842 564 1HB GLU 106 2HB GLU 106 -10.924 -5.020 -7.035 565 2HB GLU 106 3HB GLU 106 -10.519 -3.725 -5.882 566 1HG GLU 106 2HG GLU 106 -8.301 -4.878 -7.549 567 2HG GLU 106 3HG GLU 106 -9.385 -3.614 -8.141 568 H GLY 107 H GLY 107 -11.019 -4.040 -3.783 569 1HA GLY 107 1HA GLY 107 -12.887 -4.276 -2.462 570 2HA GLY 107 2HA GLY 107 -13.244 -5.620 -3.534 571 H GLN 108 H GLN 108 -10.372 -6.146 -1.674 572 HA GLN 108 HA GLN 108 -11.851 -7.615 0.453 573 1HB GLN 108 2HB GLN 108 -10.496 -9.590 0.060 574 2HB GLN 108 3HB GLN 108 -11.375 -9.145 -1.405 575 1HG GLN 108 2HG GLN 108 -9.092 -7.885 -2.030 576 2HG GLN 108 3HG GLN 108 -8.426 -8.978 -0.811 577 1HE2 GLN 108 1HE2 GLN 108 -10.354 -8.895 -3.839 578 2HE2 GLN 108 2HE2 GLN 108 -9.841 -10.495 -4.381 579 H GLY 109 H GLY 109 -10.751 -7.650 2.450 580 1HA GLY 109 1HA GLY 109 -8.865 -5.456 2.724 581 2HA GLY 109 2HA GLY 109 -9.543 -6.420 4.025 582 H ILE 110 H ILE 110 -6.744 -5.617 2.440 583 HA ILE 110 HA ILE 110 -5.408 -8.249 2.936 584 HB ILE 110 HB ILE 110 -4.025 -7.911 0.960 585 1HG1 ILE 110 2HG1 ILE 110 -5.202 -6.097 -0.658 586 2HG1 ILE 110 3HG1 ILE 110 -5.306 -5.221 0.864 587 1HG2 ILE 110 1HG2 ILE 110 -6.893 -7.582 0.079 588 2HG2 ILE 110 2HG2 ILE 110 -5.602 -8.506 -0.703 589 3HG2 ILE 110 3HG2 ILE 110 -6.312 -9.080 0.821 590 1HD1 ILE 110 1HD1 ILE 110 -2.860 -5.560 1.207 591 2HD1 ILE 110 2HD1 ILE 110 -2.779 -6.498 -0.302 592 3HD1 ILE 110 3HD1 ILE 110 -3.178 -4.752 -0.320 593 H VAL 111 H VAL 111 -3.031 -7.963 3.051 594 HA VAL 111 HA VAL 111 -2.236 -5.346 4.215 595 HB VAL 111 HB VAL 111 -0.557 -6.688 5.476 596 1HG1 VAL 111 1HG1 VAL 111 -2.451 -5.667 6.625 597 2HG1 VAL 111 2HG1 VAL 111 -3.499 -7.041 6.223 598 3HG1 VAL 111 3HG1 VAL 111 -2.134 -7.247 7.344 599 1HG2 VAL 111 1HG2 VAL 111 -1.005 -9.022 6.029 600 2HG2 VAL 111 2HG2 VAL 111 -2.480 -9.018 5.055 601 3HG2 VAL 111 3HG2 VAL 111 -0.894 -8.858 4.270 602 H ALA 112 H ALA 112 -0.493 -4.461 3.293 603 HA ALA 112 HA ALA 112 1.024 -5.987 1.227 604 1HB ALA 112 1HB ALA 112 0.480 -3.007 1.072 605 2HB ALA 112 2HB ALA 112 1.057 -4.069 -0.197 606 3HB ALA 112 3HB ALA 112 -0.642 -4.146 0.337 607 H GLN 113 H GLN 113 3.328 -5.357 1.094 608 HA GLN 113 HA GLN 113 4.177 -3.253 2.931 609 1HB GLN 113 2HB GLN 113 5.705 -4.461 4.156 610 2HB GLN 113 3HB GLN 113 4.272 -5.491 4.264 611 1HG GLN 113 2HG GLN 113 5.082 -7.195 3.101 612 2HG GLN 113 3HG GLN 113 6.160 -6.227 2.102 613 1HE2 GLN 113 1HE2 GLN 113 6.970 -8.689 3.438 614 2HE2 GLN 113 2HE2 GLN 113 8.155 -8.173 4.598 615 H GLY 114 H GLY 114 6.376 -2.638 2.717 616 1HA GLY 114 1HA GLY 114 8.308 -3.718 1.181 617 2HA GLY 114 2HA GLY 114 7.504 -2.672 0.007 618 H VAL 115 H VAL 115 8.020 -0.445 0.097 619 HA VAL 115 HA VAL 115 8.813 0.729 2.629 620 HB VAL 115 HB VAL 115 10.885 -0.256 2.304 621 1HG1 VAL 115 1HG1 VAL 115 10.672 -1.254 0.113 622 2HG1 VAL 115 2HG1 VAL 115 10.716 0.345 -0.667 623 3HG1 VAL 115 3HG1 VAL 115 12.150 -0.297 0.163 624 1HG2 VAL 115 1HG2 VAL 115 11.370 2.331 0.811 625 2HG2 VAL 115 2HG2 VAL 115 11.086 2.250 2.565 626 3HG2 VAL 115 3HG2 VAL 115 12.485 1.437 1.856 627 H LEU 116 H LEU 116 8.896 2.899 2.723 628 HA LEU 116 HA LEU 116 7.458 4.405 0.654 629 1HB LEU 116 2HB LEU 116 9.125 5.196 3.091 630 2HB LEU 116 3HB LEU 116 8.446 6.374 1.944 631 HG LEU 116 HG LEU 116 7.103 6.397 3.831 632 1HD1 LEU 116 1HD1 LEU 116 6.006 6.550 1.615 633 2HD1 LEU 116 2HD1 LEU 116 5.627 4.826 1.706 634 3HD1 LEU 116 3HD1 LEU 116 4.929 5.934 2.896 635 1HD2 LEU 116 1HD2 LEU 116 7.633 4.268 4.856 636 2HD2 LEU 116 2HD2 LEU 116 5.877 4.469 4.708 637 3HD2 LEU 116 3HD2 LEU 116 6.746 3.390 3.594 638 H GLY 117 H GLY 117 8.362 4.832 -1.299 639 1HA GLY 117 1HA GLY 117 11.264 5.612 -1.387 640 2HA GLY 117 2HA GLY 117 10.593 4.404 -2.486 641 H GLU 118 H GLU 118 8.350 6.922 -1.725 642 HA GLU 118 HA GLU 118 9.247 8.689 -3.935 643 1HB GLU 118 2HB GLU 118 6.390 7.668 -3.759 644 2HB GLU 118 3HB GLU 118 7.154 8.660 -5.024 645 1HG GLU 118 2HG GLU 118 8.516 6.645 -5.639 646 2HG GLU 118 3HG GLU 118 7.604 5.715 -4.434 647 H ASP 119 H ASP 119 9.365 9.158 -1.181 648 HA ASP 119 HA ASP 119 8.257 10.076 0.716 649 1HB ASP 119 2HB ASP 119 9.038 12.160 -1.356 650 2HB ASP 119 3HB ASP 119 8.900 12.441 0.385 651 H GLY 120 H GLY 120 6.071 9.064 -0.220 652 1HA GLY 120 1HA GLY 120 3.856 10.761 0.078 653 2HA GLY 120 2HA GLY 120 4.362 10.923 -1.605 654 H LYS 121 H LYS 121 5.208 8.138 -1.988 655 HA LYS 121 HA LYS 121 2.685 6.624 -1.490 656 1HB LYS 121 2HB LYS 121 4.131 6.789 -4.167 657 2HB LYS 121 3HB LYS 121 3.227 5.393 -3.679 658 1HG LYS 121 2HG LYS 121 1.650 6.474 -4.877 659 2HG LYS 121 3HG LYS 121 1.221 6.789 -3.206 660 1HD LYS 121 2HD LYS 121 0.809 8.727 -4.527 661 2HD LYS 121 3HD LYS 121 2.105 9.124 -3.415 662 1HE LYS 121 2HE LYS 121 2.616 8.139 -6.273 663 2HE LYS 121 3HE LYS 121 2.273 9.832 -5.938 664 1HZ LYS 121 1HZ LYS 121 4.316 8.797 -4.250 665 2HZ LYS 121 2HZ LYS 121 4.692 8.544 -5.804 666 3HZ LYS 121 3HZ LYS 121 4.401 10.086 -5.270 667 H LEU 122 H LEU 122 2.966 4.314 -1.713 668 HA LEU 122 HA LEU 122 5.421 3.479 -0.252 669 1HB LEU 122 2HB LEU 122 2.684 2.215 -0.383 670 2HB LEU 122 3HB LEU 122 4.055 1.648 0.564 671 HG LEU 122 HG LEU 122 3.508 4.498 1.116 672 1HD1 LEU 122 1HD1 LEU 122 1.243 2.568 1.607 673 2HD1 LEU 122 2HD1 LEU 122 1.359 4.270 2.135 674 3HD1 LEU 122 3HD1 LEU 122 1.300 3.875 0.399 675 1HD2 LEU 122 1HD2 LEU 122 3.280 2.067 2.937 676 2HD2 LEU 122 2HD2 LEU 122 4.827 2.832 2.533 677 3HD2 LEU 122 3HD2 LEU 122 3.590 3.759 3.402 678 H ALA 123 H ALA 123 6.846 2.292 -1.566 679 HA ALA 123 HA ALA 123 5.758 0.943 -3.979 680 1HB ALA 123 1HB ALA 123 8.611 1.258 -2.928 681 2HB ALA 123 2HB ALA 123 8.141 0.412 -4.418 682 3HB ALA 123 3HB ALA 123 7.871 2.162 -4.269 683 H ALA 124 H ALA 124 4.716 -0.882 -3.397 684 HA ALA 124 HA ALA 124 5.750 -2.509 -1.119 685 1HB ALA 124 1HB ALA 124 3.468 -3.507 -1.127 686 2HB ALA 124 2HB ALA 124 3.538 -1.785 -0.709 687 3HB ALA 124 3HB ALA 124 3.011 -2.267 -2.326 688 H THR 125 H THR 125 5.807 -4.830 -1.410 689 HA THR 125 HA THR 125 5.590 -5.823 -4.160 690 HB THR 125 HB THR 125 7.808 -5.178 -4.308 691 HG1 THR 125 1HG THR 125 7.089 -7.177 -5.232 692 1HG2 THR 125 1HG2 THR 125 8.484 -5.207 -1.911 693 2HG2 THR 125 2HG2 THR 125 8.388 -6.987 -1.916 694 3HG2 THR 125 3HG2 THR 125 9.580 -6.155 -2.933 695 H GLU 126 H GLU 126 5.933 -6.679 -0.674 696 HA GLU 126 HA GLU 126 4.758 -9.362 -1.344 697 1HB GLU 126 2HB GLU 126 6.026 -8.210 1.129 698 2HB GLU 126 3HB GLU 126 4.871 -9.543 1.225 699 1HG GLU 126 2HG GLU 126 6.298 -10.858 -0.347 700 2HG GLU 126 3HG GLU 126 7.505 -9.561 -0.293 701 H VAL 127 H VAL 127 2.582 -9.585 -1.265 702 HA VAL 127 HA VAL 127 1.087 -8.017 0.725 703 HB VAL 127 HB VAL 127 -0.945 -8.285 -0.817 704 1HG1 VAL 127 1HG1 VAL 127 1.151 -6.188 -1.159 705 2HG1 VAL 127 2HG1 VAL 127 -0.233 -6.213 -2.276 706 3HG1 VAL 127 3HG1 VAL 127 -0.506 -6.123 -0.535 707 1HG2 VAL 127 1HG2 VAL 127 0.296 -9.772 -2.426 708 2HG2 VAL 127 2HG2 VAL 127 -0.697 -8.486 -3.123 709 3HG2 VAL 127 3HG2 VAL 127 1.077 -8.342 -3.068 710 H LEU 128 H LEU 128 -0.374 -9.171 1.851 711 HA LEU 128 HA LEU 128 -0.462 -12.124 1.310 712 1HB LEU 128 2HB LEU 128 -0.567 -11.018 4.102 713 2HB LEU 128 3HB LEU 128 -0.320 -12.648 3.540 714 HG LEU 128 HG LEU 128 1.666 -11.931 4.499 715 1HD1 LEU 128 1HD1 LEU 128 2.336 -11.643 1.562 716 2HD1 LEU 128 2HD1 LEU 128 3.324 -12.289 2.867 717 3HD1 LEU 128 3HD1 LEU 128 1.895 -13.188 2.320 718 1HD2 LEU 128 1HD2 LEU 128 2.975 -10.003 4.036 719 2HD2 LEU 128 2HD2 LEU 128 1.911 -9.462 2.744 720 3HD2 LEU 128 3HD2 LEU 128 1.331 -9.480 4.419 721 H ALA 129 H ALA 129 -2.457 -12.250 0.403 722 HA ALA 129 HA ALA 129 -4.665 -10.549 1.263 723 1HB ALA 129 1HB ALA 129 -4.372 -11.138 -1.103 724 2HB ALA 129 2HB ALA 129 -4.598 -12.859 -0.716 725 3HB ALA 129 3HB ALA 129 -5.933 -11.710 -0.488 726 H LYS 130 H LYS 130 -4.149 -11.537 3.529 727 HA LYS 130 HA LYS 130 -5.182 -14.204 4.032 728 1HB LYS 130 2HB LYS 130 -4.483 -13.842 6.296 729 2HB LYS 130 3HB LYS 130 -3.249 -13.262 5.174 730 1HG LYS 130 2HG LYS 130 -4.317 -10.894 5.532 731 2HG LYS 130 3HG LYS 130 -5.137 -11.646 6.903 732 1HD LYS 130 2HD LYS 130 -2.781 -12.430 7.675 733 2HD LYS 130 3HD LYS 130 -2.151 -11.362 6.417 734 1HE LYS 130 2HE LYS 130 -2.111 -10.085 8.447 735 2HE LYS 130 3HE LYS 130 -3.444 -9.446 7.474 736 1HZ LYS 130 1HZ LYS 130 -4.086 -9.744 9.754 737 2HZ LYS 130 2HZ LYS 130 -4.957 -10.772 8.818 738 3HZ LYS 130 3HZ LYS 130 -3.705 -11.342 9.720 739 H HIS 131 H HID 131 -7.292 -13.144 2.842 740 HA HIS 131 HA HID 131 -9.353 -12.995 4.937 741 1HB HIS 131 2HB HID 131 -8.471 -10.690 3.307 742 2HB HIS 131 3HB HID 131 -10.157 -11.065 3.031 743 HD1 HIS 131 1HD HID 131 -11.873 -10.294 4.818 744 HD2 HIS 131 2HD HID 131 -7.846 -10.143 6.042 745 HE1 HIS 131 1HE HID 131 -11.833 -9.084 7.062 746 H ASP 132 H ASP 132 -11.122 -14.147 4.259 747 HA ASP 132 HA ASP 132 -11.837 -14.326 1.489 748 1HB ASP 132 2HB ASP 132 -10.164 -16.203 1.665 749 2HB ASP 132 3HB ASP 132 -11.097 -16.876 3.017 Start of MODEL 27 1 H SER 32 H SER 32 17.876 -1.367 8.734 2 HA SER 32 HA SER 32 18.542 -3.701 10.358 3 1HB SER 32 2HB SER 32 18.702 -1.766 11.952 4 2HB SER 32 3HB SER 32 16.997 -1.399 11.632 5 HG SER 32 HG SER 32 16.449 -3.351 12.579 6 H ASN 33 H ASN 33 16.922 -5.201 10.317 7 HA ASN 33 HA ASN 33 14.757 -4.748 8.403 8 1HB ASN 33 2HB ASN 33 15.840 -7.184 9.846 9 2HB ASN 33 3HB ASN 33 14.324 -7.225 8.939 10 1HD2 ASN 33 1HD2 ASN 33 14.693 -8.277 7.041 11 2HD2 ASN 33 2HD2 ASN 33 16.038 -7.918 5.975 12 H LEU 34 H LEU 34 13.871 -3.048 9.965 13 HA LEU 34 HA LEU 34 12.292 -4.080 12.170 14 1HB LEU 34 2HB LEU 34 11.468 -1.979 12.513 15 2HB LEU 34 3HB LEU 34 13.111 -1.737 11.959 16 HG LEU 34 HG LEU 34 11.831 -0.044 11.021 17 1HD1 LEU 34 1HD1 LEU 34 11.987 -0.305 8.610 18 2HD1 LEU 34 2HD1 LEU 34 13.405 -1.017 9.402 19 3HD1 LEU 34 3HD1 LEU 34 12.115 -2.063 8.764 20 1HD2 LEU 34 1HD2 LEU 34 9.752 -0.141 9.978 21 2HD2 LEU 34 2HD2 LEU 34 9.795 -1.891 9.757 22 3HD2 LEU 34 3HD2 LEU 34 9.611 -1.207 11.388 23 H ASN 35 H ASN 35 9.874 -4.020 12.233 24 HA ASN 35 HA ASN 35 8.475 -4.495 9.678 25 1HB ASN 35 2HB ASN 35 8.593 -6.527 11.962 26 2HB ASN 35 3HB ASN 35 7.511 -6.606 10.575 27 1HD2 ASN 35 1HD2 ASN 35 10.424 -7.775 11.799 28 2HD2 ASN 35 2HD2 ASN 35 11.126 -8.306 10.289 29 H LEU 36 H LEU 36 6.454 -3.442 9.909 30 HA LEU 36 HA LEU 36 4.954 -3.933 12.260 31 1HB LEU 36 2HB LEU 36 4.576 -1.844 13.168 32 2HB LEU 36 3HB LEU 36 6.326 -1.916 13.018 33 HG LEU 36 HG LEU 36 4.388 -0.384 11.206 34 1HD1 LEU 36 1HD1 LEU 36 6.453 0.553 13.238 35 2HD1 LEU 36 2HD1 LEU 36 5.434 1.594 12.223 36 3HD1 LEU 36 3HD1 LEU 36 4.691 0.569 13.463 37 1HD2 LEU 36 1HD2 LEU 36 6.323 -1.065 9.847 38 2HD2 LEU 36 2HD2 LEU 36 6.464 0.646 10.270 39 3HD2 LEU 36 3HD2 LEU 36 7.428 -0.560 11.142 40 H PHE 37 H PHE 37 2.726 -3.281 12.014 41 HA PHE 37 HA PHE 37 1.876 -2.951 9.171 42 1HB PHE 37 2HB PHE 37 0.549 -4.422 11.481 43 2HB PHE 37 3HB PHE 37 -0.167 -4.143 9.909 44 HD1 PHE 37 1HD PHE 37 0.035 -5.793 8.224 45 HD2 PHE 37 2HD PHE 37 2.749 -5.839 11.579 46 HE1 PHE 37 1HE PHE 37 0.750 -8.088 7.626 47 HE2 PHE 37 2HE PHE 37 3.461 -8.126 10.971 48 HZ PHE 37 HZ PHE 37 2.434 -9.276 9.012 49 H TYR 38 H TYR 38 0.932 -0.995 8.825 50 HA TYR 38 HA TYR 38 -0.801 0.077 11.003 51 1HB TYR 38 2HB TYR 38 1.534 1.393 9.676 52 2HB TYR 38 3HB TYR 38 0.070 2.359 9.701 53 HD1 TYR 38 HD1 TYR 38 -1.286 2.018 12.130 54 HD2 TYR 38 HD2 TYR 38 2.970 2.159 11.421 55 HE1 TYR 38 HE1 TYR 38 -0.954 2.994 14.341 56 HE2 TYR 38 HE2 TYR 38 3.255 3.395 13.555 57 HH TYR 38 HH TYR 38 0.324 4.829 14.861 58 H THR 39 H THR 39 -2.443 1.717 10.200 59 HA THR 39 HA THR 39 -3.702 0.549 7.877 60 HB THR 39 HB THR 39 -5.489 2.301 8.703 61 HG1 THR 39 1HG THR 39 -5.076 2.948 10.831 62 1HG2 THR 39 1HG2 THR 39 -6.200 0.780 10.513 63 2HG2 THR 39 2HG2 THR 39 -5.709 -0.121 9.073 64 3HG2 THR 39 3HG2 THR 39 -4.616 -0.028 10.472 65 HA PRO 40 HA PRO 40 -2.422 3.577 4.934 66 1HB PRO 40 2HB PRO 40 -4.640 3.907 3.366 67 2HB PRO 40 3HB PRO 40 -3.557 2.483 3.365 68 1HG PRO 40 2HG PRO 40 -6.169 2.777 4.861 69 2HG PRO 40 3HG PRO 40 -5.671 1.443 3.776 70 1HD PRO 40 2HD PRO 40 -5.400 1.243 6.458 71 2HD PRO 40 3HD PRO 40 -4.088 0.647 5.397 72 H SER 41 H SER 41 -5.579 4.122 6.527 73 HA SER 41 HA SER 41 -5.817 6.933 6.239 74 1HB SER 41 2HB SER 41 -7.251 6.461 8.360 75 2HB SER 41 3HB SER 41 -7.692 5.583 6.870 76 HG SER 41 HG SER 41 -7.555 4.096 8.600 77 H GLU 42 H GLU 42 -3.750 4.970 8.331 78 HA GLU 42 HA GLU 42 -3.226 7.279 10.082 79 1HB GLU 42 2HB GLU 42 -3.407 5.052 11.050 80 2HB GLU 42 3HB GLU 42 -1.996 4.489 10.138 81 1HG GLU 42 2HG GLU 42 -0.533 5.813 11.310 82 2HG GLU 42 3HG GLU 42 -1.766 7.029 11.765 83 H ILE 43 H ILE 43 -1.616 5.305 7.557 84 HA ILE 43 HA ILE 43 0.738 7.063 7.636 85 HB ILE 43 HB ILE 43 1.701 5.752 5.868 86 1HG1 ILE 43 2HG1 ILE 43 -0.590 3.806 6.124 87 2HG1 ILE 43 3HG1 ILE 43 -0.561 5.052 4.852 88 1HG2 ILE 43 1HG2 ILE 43 0.674 4.167 8.243 89 2HG2 ILE 43 2HG2 ILE 43 2.094 3.771 7.253 90 3HG2 ILE 43 3HG2 ILE 43 2.085 5.248 8.219 91 1HD1 ILE 43 1HD1 ILE 43 1.693 4.175 4.138 92 2HD1 ILE 43 2HD1 ILE 43 1.459 2.818 5.264 93 3HD1 ILE 43 3HD1 ILE 43 0.345 3.057 3.907 94 H VAL 44 H VAL 44 -1.467 8.584 7.139 95 HA VAL 44 HA VAL 44 -0.640 9.856 4.579 96 HB VAL 44 HB VAL 44 -3.100 10.786 4.605 97 1HG1 VAL 44 1HG1 VAL 44 -2.444 7.990 3.649 98 2HG1 VAL 44 2HG1 VAL 44 -3.836 8.965 3.127 99 3HG1 VAL 44 3HG1 VAL 44 -2.192 9.516 2.765 100 1HG2 VAL 44 1HG2 VAL 44 -4.721 9.801 5.731 101 2HG2 VAL 44 2HG2 VAL 44 -4.097 8.175 5.436 102 3HG2 VAL 44 3HG2 VAL 44 -3.484 9.130 6.788 103 H ASN 45 H ASN 45 -2.949 10.908 6.972 104 HA ASN 45 HA ASN 45 -2.068 13.494 7.165 105 1HB ASN 45 2HB ASN 45 -3.622 12.014 9.331 106 2HB ASN 45 3HB ASN 45 -3.653 13.737 8.952 107 1HD2 ASN 45 1HD2 ASN 45 -5.147 10.681 8.406 108 2HD2 ASN 45 2HD2 ASN 45 -6.242 11.189 7.146 109 H GLY 46 H GLY 46 0.059 13.864 7.742 110 1HA GLY 46 1HA GLY 46 1.628 14.498 9.349 111 2HA GLY 46 2HA GLY 46 0.514 13.968 10.609 112 H LYS 47 H LYS 47 1.796 12.021 7.923 113 HA LYS 47 HA LYS 47 3.721 10.631 9.583 114 1HB LYS 47 2HB LYS 47 1.368 9.211 8.245 115 2HB LYS 47 3HB LYS 47 2.839 8.415 8.864 116 1HG LYS 47 2HG LYS 47 2.286 9.743 11.061 117 2HG LYS 47 3HG LYS 47 0.671 9.923 10.367 118 1HD LYS 47 2HD LYS 47 0.120 7.926 11.071 119 2HD LYS 47 3HD LYS 47 1.436 7.132 10.176 120 1HE LYS 47 2HE LYS 47 2.994 7.717 12.027 121 2HE LYS 47 3HE LYS 47 1.666 8.522 12.884 122 1HZ LYS 47 1HZ LYS 47 1.705 5.621 12.271 123 2HZ LYS 47 2HZ LYS 47 2.041 6.249 13.745 124 3HZ LYS 47 3HZ LYS 47 0.558 6.401 13.129 125 H THR 48 H THR 48 2.595 9.144 6.633 126 HA THR 48 HA THR 48 5.124 9.469 5.372 127 HB THR 48 HB THR 48 2.421 8.532 4.320 128 HG1 THR 48 1HG THR 48 3.345 6.505 4.763 129 1HG2 THR 48 1HG2 THR 48 3.711 9.059 2.406 130 2HG2 THR 48 2HG2 THR 48 5.181 8.376 3.115 131 3HG2 THR 48 3HG2 THR 48 3.826 7.317 2.612 132 H ASP 49 H ASP 49 1.896 10.591 4.178 133 HA ASP 49 HA ASP 49 2.881 11.995 2.005 134 1HB ASP 49 2HB ASP 49 0.524 11.360 2.358 135 2HB ASP 49 3HB ASP 49 0.378 12.558 3.660 136 H THR 50 H THR 50 2.179 13.210 5.274 137 HA THR 50 HA THR 50 3.158 15.871 4.749 138 HB THR 50 HB THR 50 2.911 14.676 7.497 139 HG1 THR 50 1HG THR 50 0.844 15.066 5.616 140 1HG2 THR 50 1HG2 THR 50 1.845 16.856 7.983 141 2HG2 THR 50 2HG2 THR 50 3.441 17.092 7.244 142 3HG2 THR 50 3HG2 THR 50 1.973 17.313 6.272 143 H GLY 51 H GLY 51 4.737 12.868 5.565 144 1HA GLY 51 1HA GLY 51 6.826 12.260 6.105 145 2HA GLY 51 2HA GLY 51 7.314 13.758 5.318 146 H VAL 52 H VAL 52 5.685 12.875 8.433 147 HA VAL 52 HA VAL 52 7.698 14.690 9.793 148 HB VAL 52 HB VAL 52 6.115 15.150 11.539 149 1HG1 VAL 52 1HG1 VAL 52 6.452 16.662 9.603 150 2HG1 VAL 52 2HG1 VAL 52 5.131 15.846 8.741 151 3HG1 VAL 52 3HG1 VAL 52 4.799 16.746 10.233 152 1HG2 VAL 52 1HG2 VAL 52 3.681 14.793 11.087 153 2HG2 VAL 52 2HG2 VAL 52 4.129 13.703 9.759 154 3HG2 VAL 52 3HG2 VAL 52 4.539 13.298 11.450 155 H LYS 53 H LYS 53 5.769 11.817 10.835 156 HA LYS 53 HA LYS 53 7.873 11.311 12.807 157 1HB LYS 53 2HB LYS 53 5.143 10.200 12.297 158 2HB LYS 53 3HB LYS 53 6.290 9.228 13.226 159 1HG LYS 53 2HG LYS 53 5.777 12.157 13.854 160 2HG LYS 53 3HG LYS 53 4.702 10.909 14.472 161 1HD LYS 53 2HD LYS 53 7.717 10.865 14.982 162 2HD LYS 53 3HD LYS 53 6.562 11.700 16.026 163 1HE LYS 53 2HE LYS 53 5.332 9.591 16.415 164 2HE LYS 53 3HE LYS 53 6.467 8.706 15.388 165 1HZ LYS 53 1HZ LYS 53 7.194 10.091 17.879 166 2HZ LYS 53 2HZ LYS 53 7.002 8.470 17.695 167 3HZ LYS 53 3HZ LYS 53 8.221 9.243 16.910 168 HA PRO 54 HA PRO 54 9.097 7.658 10.090 169 1HB PRO 54 2HB PRO 54 7.677 6.781 7.968 170 2HB PRO 54 3HB PRO 54 7.157 6.398 9.634 171 1HG PRO 54 2HG PRO 54 6.163 8.654 7.863 172 2HG PRO 54 3HG PRO 54 5.179 7.442 8.735 173 1HD PRO 54 2HD PRO 54 5.766 9.950 9.727 174 2HD PRO 54 3HD PRO 54 5.533 8.523 10.794 175 H GLU 55 H GLU 55 9.845 7.438 7.585 176 HA GLU 55 HA GLU 55 10.081 10.011 6.207 177 1HB GLU 55 2HB GLU 55 11.821 9.680 8.220 178 2HB GLU 55 3HB GLU 55 12.594 8.545 7.100 179 1HG GLU 55 2HG GLU 55 12.857 10.389 5.462 180 2HG GLU 55 3HG GLU 55 12.056 11.495 6.599 181 H ALA 56 H ALA 56 10.668 9.552 3.953 182 HA ALA 56 HA ALA 56 10.097 7.102 2.960 183 1HB ALA 56 1HB ALA 56 11.394 7.795 0.862 184 2HB ALA 56 2HB ALA 56 10.177 8.907 1.455 185 3HB ALA 56 3HB ALA 56 11.894 9.236 1.776 186 H GLY 57 H GLY 57 11.421 5.516 1.641 187 1HA GLY 57 1HA GLY 57 13.168 4.051 1.439 188 2HA GLY 57 2HA GLY 57 14.176 5.074 2.467 189 H GLN 58 H GLN 58 11.455 4.635 4.331 190 HA GLN 58 HA GLN 58 12.690 2.451 5.864 191 1HB GLN 58 2HB GLN 58 10.203 4.158 6.306 192 2HB GLN 58 3HB GLN 58 10.698 2.819 7.356 193 1HG GLN 58 2HG GLN 58 12.896 3.936 7.737 194 2HG GLN 58 3HG GLN 58 12.349 5.310 6.767 195 1HE2 GLN 58 1HE2 GLN 58 12.019 6.946 8.248 196 2HE2 GLN 58 2HE2 GLN 58 11.163 6.774 9.769 197 H ARG 59 H ARG 59 11.748 0.465 6.205 198 HA ARG 59 HA ARG 59 9.879 -0.464 4.137 199 1HB ARG 59 2HB ARG 59 11.957 -1.770 4.539 200 2HB ARG 59 3HB ARG 59 11.510 -1.931 6.251 201 1HG ARG 59 2HG ARG 59 9.398 -3.147 5.472 202 2HG ARG 59 3HG ARG 59 10.096 -3.168 3.850 203 1HD ARG 59 2HD ARG 59 11.390 -4.376 6.364 204 2HD ARG 59 3HD ARG 59 10.398 -5.250 5.219 205 HE ARG 59 HE ARG 59 11.984 -5.223 3.578 206 1HH1 ARG 59 2HH2 ARG 59 13.174 -3.332 6.308 207 2HH1 ARG 59 1HH2 ARG 59 14.851 -3.459 5.874 208 1HH2 ARG 59 1HH1 ARG 59 14.184 -5.426 2.973 209 2HH2 ARG 59 2HH1 ARG 59 15.428 -4.673 3.913 210 H ILE 60 H ILE 60 7.690 -0.792 4.714 211 HA ILE 60 HA ILE 60 7.013 -1.347 7.515 212 HB ILE 60 HB ILE 60 5.353 0.334 7.756 213 1HG1 ILE 60 2HG1 ILE 60 6.102 1.539 5.070 214 2HG1 ILE 60 3HG1 ILE 60 4.702 0.494 5.297 215 1HG2 ILE 60 1HG2 ILE 60 6.677 2.336 8.037 216 2HG2 ILE 60 2HG2 ILE 60 7.729 0.964 8.338 217 3HG2 ILE 60 3HG2 ILE 60 7.832 1.834 6.797 218 1HD1 ILE 60 1HD1 ILE 60 3.962 2.773 5.410 219 2HD1 ILE 60 2HD1 ILE 60 3.756 1.986 6.983 220 3HD1 ILE 60 3HD1 ILE 60 5.081 3.143 6.726 221 H ARG 61 H ARG 61 4.470 -1.810 7.599 222 HA ARG 61 HA ARG 61 3.604 -2.873 4.966 223 1HB ARG 61 2HB ARG 61 2.669 -4.070 7.567 224 2HB ARG 61 3HB ARG 61 2.585 -4.699 5.933 225 1HG ARG 61 2HG ARG 61 5.170 -4.739 6.036 226 2HG ARG 61 3HG ARG 61 5.027 -4.507 7.753 227 1HD ARG 61 2HD ARG 61 3.354 -6.356 7.825 228 2HD ARG 61 3HD ARG 61 3.769 -6.811 6.205 229 HE ARG 61 HE ARG 61 4.835 -7.850 8.411 230 1HH1 ARG 61 2HH2 ARG 61 6.566 -5.947 5.957 231 2HH1 ARG 61 1HH2 ARG 61 8.122 -6.563 6.425 232 1HH2 ARG 61 1HH1 ARG 61 6.827 -8.907 8.707 233 2HH2 ARG 61 2HH1 ARG 61 8.264 -8.097 8.142 234 H VAL 62 H VAL 62 1.586 -2.339 4.334 235 HA VAL 62 HA VAL 62 0.031 -0.447 6.015 236 HB VAL 62 HB VAL 62 0.893 0.681 4.107 237 1HG1 VAL 62 1HG1 VAL 62 0.398 0.142 1.824 238 2HG1 VAL 62 2HG1 VAL 62 1.218 -1.247 2.543 239 3HG1 VAL 62 3HG1 VAL 62 -0.549 -1.276 2.291 240 1HG2 VAL 62 1HG2 VAL 62 -1.382 1.240 4.894 241 2HG2 VAL 62 2HG2 VAL 62 -1.226 1.489 3.142 242 3HG2 VAL 62 3HG2 VAL 62 -2.080 0.067 3.755 243 H GLY 63 H GLY 63 -1.911 -1.285 6.681 244 1HA GLY 63 1HA GLY 63 -3.092 -3.631 5.229 245 2HA GLY 63 2HA GLY 63 -2.936 -3.541 6.991 246 H GLY 64 H GLY 64 -4.998 -2.984 4.343 247 1HA GLY 64 1HA GLY 64 -7.009 -1.695 5.957 248 2HA GLY 64 2HA GLY 64 -6.262 -0.553 4.822 249 H MET 65 H MET 65 -8.551 -0.538 3.957 250 HA MET 65 HA MET 65 -9.308 -2.991 2.489 251 1HB MET 65 2HB MET 65 -11.461 -1.877 2.115 252 2HB MET 65 3HB MET 65 -11.080 -2.304 3.788 253 1HG MET 65 2HG MET 65 -10.552 0.008 4.326 254 2HG MET 65 3HG MET 65 -10.731 0.465 2.626 255 1HE MET 65 1HE MET 65 -14.217 -0.591 5.425 256 2HE MET 65 2HE MET 65 -13.092 -1.836 4.838 257 3HE MET 65 3HE MET 65 -12.504 -0.539 5.913 258 H VAL 66 H VAL 66 -9.337 -3.165 0.346 259 HA VAL 66 HA VAL 66 -8.239 -0.848 -1.192 260 HB VAL 66 HB VAL 66 -7.893 -2.296 -2.964 261 1HG1 VAL 66 1HG1 VAL 66 -7.082 -3.946 -0.530 262 2HG1 VAL 66 2HG1 VAL 66 -6.157 -3.621 -2.010 263 3HG1 VAL 66 3HG1 VAL 66 -6.412 -2.346 -0.819 264 1HG2 VAL 66 1HG2 VAL 66 -10.060 -3.823 -2.320 265 2HG2 VAL 66 2HG2 VAL 66 -8.768 -4.367 -3.371 266 3HG2 VAL 66 3HG2 VAL 66 -8.784 -4.853 -1.676 267 H THR 67 H THR 67 -9.406 0.057 -2.984 268 HA THR 67 HA THR 67 -12.344 -0.432 -2.985 269 HB THR 67 HB THR 67 -10.639 1.901 -3.830 270 HG1 THR 67 1HG THR 67 -11.806 1.898 -1.863 271 1HG2 THR 67 1HG2 THR 67 -12.537 2.835 -5.072 272 2HG2 THR 67 2HG2 THR 67 -11.969 1.386 -5.897 273 3HG2 THR 67 3HG2 THR 67 -13.446 1.320 -4.904 274 H VAL 68 H VAL 68 -13.280 -1.240 -4.737 275 HA VAL 68 HA VAL 68 -11.873 -3.062 -6.377 276 HB VAL 68 HB VAL 68 -14.174 -3.340 -5.737 277 1HG1 VAL 68 1HG1 VAL 68 -15.064 -1.179 -7.679 278 2HG1 VAL 68 2HG1 VAL 68 -16.044 -2.156 -6.587 279 3HG1 VAL 68 3HG1 VAL 68 -14.961 -0.933 -5.919 280 1HG2 VAL 68 1HG2 VAL 68 -13.924 -3.149 -8.763 281 2HG2 VAL 68 2HG2 VAL 68 -13.365 -4.497 -7.745 282 3HG2 VAL 68 3HG2 VAL 68 -15.095 -4.125 -7.853 283 H GLY 69 H GLY 69 -13.402 0.056 -7.342 284 1HA GLY 69 1HA GLY 69 -12.039 0.099 -9.928 285 2HA GLY 69 2HA GLY 69 -13.069 1.353 -9.221 286 H SER 70 H SER 70 -9.945 -0.225 -8.552 287 HA SER 70 HA SER 70 -8.589 2.420 -8.475 288 1HB SER 70 2HB SER 70 -8.523 0.567 -6.056 289 2HB SER 70 3HB SER 70 -7.631 2.078 -6.271 290 HG SER 70 HG SER 70 -10.059 2.743 -6.808 291 H MET 71 H MET 71 -8.227 -1.151 -8.560 292 HA MET 71 HA MET 71 -5.439 -1.129 -8.818 293 1HB MET 71 2HB MET 71 -6.713 -3.207 -8.435 294 2HB MET 71 3HB MET 71 -7.649 -2.888 -9.881 295 1HG MET 71 2HG MET 71 -6.429 -4.667 -10.422 296 2HG MET 71 3HG MET 71 -5.631 -3.369 -11.300 297 1HE MET 71 1HE MET 71 -3.730 -2.195 -9.144 298 2HE MET 71 2HE MET 71 -2.271 -3.163 -9.257 299 3HE MET 71 3HE MET 71 -3.118 -2.638 -10.745 300 H VAL 72 H VAL 72 -4.233 -0.080 -10.401 301 HA VAL 72 HA VAL 72 -5.271 -0.194 -13.190 302 HB VAL 72 HB VAL 72 -4.193 1.916 -13.700 303 1HG1 VAL 72 1HG1 VAL 72 -6.270 2.189 -11.488 304 2HG1 VAL 72 2HG1 VAL 72 -5.912 3.368 -12.764 305 3HG1 VAL 72 3HG1 VAL 72 -6.619 1.798 -13.186 306 1HG2 VAL 72 1HG2 VAL 72 -3.824 2.250 -10.694 307 2HG2 VAL 72 2HG2 VAL 72 -2.540 2.132 -11.927 308 3HG2 VAL 72 3HG2 VAL 72 -3.623 3.526 -11.908 309 H ARG 73 H ARG 73 -3.975 -1.235 -14.494 310 HA ARG 73 HA ARG 73 -1.257 -2.000 -13.542 311 1HB ARG 73 2HB ARG 73 -1.538 -3.948 -15.003 312 2HB ARG 73 3HB ARG 73 -2.693 -3.955 -13.669 313 1HG ARG 73 2HG ARG 73 -4.544 -3.607 -14.930 314 2HG ARG 73 3HG ARG 73 -3.695 -2.799 -16.257 315 1HD ARG 73 2HD ARG 73 -3.231 -5.701 -15.533 316 2HD ARG 73 3HD ARG 73 -4.428 -5.169 -16.753 317 HE ARG 73 HE ARG 73 -1.945 -3.893 -17.325 318 1HH1 ARG 73 2HH2 ARG 73 -3.188 -7.200 -17.364 319 2HH1 ARG 73 1HH2 ARG 73 -2.128 -7.717 -18.648 320 1HH2 ARG 73 1HH1 ARG 73 -0.571 -4.498 -18.829 321 2HH2 ARG 73 2HH1 ARG 73 -0.395 -6.133 -19.379 322 H ASP 74 H ASP 74 0.479 -1.854 -15.024 323 HA ASP 74 HA ASP 74 0.067 0.035 -17.186 324 1HB ASP 74 2HB ASP 74 2.388 -1.566 -16.095 325 2HB ASP 74 3HB ASP 74 2.514 -0.870 -17.708 326 HA PRO 75 HA PRO 75 -0.448 -2.972 -20.569 327 1HB PRO 75 2HB PRO 75 0.999 -1.804 -22.584 328 2HB PRO 75 3HB PRO 75 -0.583 -1.161 -22.055 329 1HG PRO 75 2HG PRO 75 2.168 -0.200 -21.218 330 2HG PRO 75 3HG PRO 75 0.786 0.782 -21.776 331 1HD PRO 75 2HD PRO 75 1.327 0.460 -19.143 332 2HD PRO 75 3HD PRO 75 -0.357 0.508 -19.717 333 H ASN 76 H ASN 76 2.670 -1.688 -19.593 334 HA ASN 76 HA ASN 76 4.534 -3.470 -20.512 335 1HB ASN 76 2HB ASN 76 4.298 -2.516 -17.615 336 2HB ASN 76 3HB ASN 76 5.760 -3.099 -18.416 337 1HD2 ASN 76 1HD2 ASN 76 4.759 -0.324 -17.227 338 2HD2 ASN 76 2HD2 ASN 76 5.275 0.766 -18.483 339 H SER 77 H SER 77 2.293 -3.951 -17.802 340 HA SER 77 HA SER 77 1.336 -5.743 -16.919 341 1HB SER 77 2HB SER 77 2.894 -7.629 -18.738 342 2HB SER 77 3HB SER 77 1.417 -7.948 -17.844 343 HG SER 77 HG SER 77 1.701 -6.072 -19.984 344 H LEU 78 H LEU 78 4.300 -4.793 -16.424 345 HA LEU 78 HA LEU 78 4.900 -6.844 -14.330 346 1HB LEU 78 2HB LEU 78 7.265 -5.852 -14.492 347 2HB LEU 78 3HB LEU 78 6.756 -7.059 -15.655 348 HG LEU 78 HG LEU 78 6.286 -4.198 -16.434 349 1HD1 LEU 78 1HD1 LEU 78 9.064 -5.417 -16.374 350 2HD1 LEU 78 2HD1 LEU 78 8.593 -3.931 -17.234 351 3HD1 LEU 78 3HD1 LEU 78 8.498 -3.997 -15.464 352 1HD2 LEU 78 1HD2 LEU 78 6.738 -5.116 -18.649 353 2HD2 LEU 78 2HD2 LEU 78 7.537 -6.539 -17.954 354 3HD2 LEU 78 3HD2 LEU 78 5.793 -6.355 -17.800 355 H HIS 79 H HID 79 3.670 -3.739 -14.812 356 HA HIS 79 HA HID 79 4.496 -2.861 -12.094 357 1HB HIS 79 2HB HID 79 4.244 -1.256 -14.657 358 2HB HIS 79 3HB HID 79 4.144 -0.524 -13.052 359 HD1 HIS 79 1HD HID 79 6.427 -0.626 -11.548 360 HD2 HIS 79 2HD HID 79 6.667 -1.703 -15.609 361 HE1 HIS 79 1HE HID 79 8.891 -0.472 -12.204 362 H VAL 80 H VAL 80 2.808 -2.316 -10.818 363 HA VAL 80 HA VAL 80 0.088 -1.985 -11.892 364 HB VAL 80 HB VAL 80 -0.340 -3.859 -9.939 365 1HG1 VAL 80 1HG1 VAL 80 0.005 -4.429 -12.879 366 2HG1 VAL 80 2HG1 VAL 80 -0.795 -5.493 -11.698 367 3HG1 VAL 80 3HG1 VAL 80 -1.442 -3.873 -11.987 368 1HG2 VAL 80 1HG2 VAL 80 2.085 -4.993 -11.384 369 2HG2 VAL 80 2HG2 VAL 80 2.085 -4.424 -9.700 370 3HG2 VAL 80 3HG2 VAL 80 1.053 -5.773 -10.182 371 H GLN 81 H GLN 81 -1.042 -0.481 -10.594 372 HA GLN 81 HA GLN 81 -0.092 -0.271 -7.787 373 1HB GLN 81 2HB GLN 81 -0.051 2.142 -7.861 374 2HB GLN 81 3HB GLN 81 1.133 1.480 -9.012 375 1HG GLN 81 2HG GLN 81 -0.416 1.861 -10.871 376 2HG GLN 81 3HG GLN 81 -1.654 2.450 -9.734 377 1HE2 GLN 81 1HE2 GLN 81 -1.376 4.208 -11.549 378 2HE2 GLN 81 2HE2 GLN 81 -0.293 5.507 -11.086 379 H PHE 82 H PHE 82 -1.596 0.636 -6.331 380 HA PHE 82 HA PHE 82 -4.376 0.843 -7.269 381 1HB PHE 82 2HB PHE 82 -5.132 -0.958 -5.841 382 2HB PHE 82 3HB PHE 82 -4.012 -1.549 -7.042 383 HD1 PHE 82 1HD PHE 82 -1.527 -1.973 -6.382 384 HD2 PHE 82 2HD PHE 82 -4.841 -1.714 -3.648 385 HE1 PHE 82 1HE PHE 82 -0.302 -3.374 -4.760 386 HE2 PHE 82 2HE PHE 82 -3.615 -3.124 -2.034 387 HZ PHE 82 HZ PHE 82 -1.341 -3.944 -2.566 388 H ALA 83 H ALA 83 -5.601 2.075 -5.952 389 HA ALA 83 HA ALA 83 -4.265 3.477 -3.732 390 1HB ALA 83 1HB ALA 83 -5.653 4.744 -5.360 391 2HB ALA 83 2HB ALA 83 -7.082 3.830 -4.813 392 3HB ALA 83 3HB ALA 83 -6.214 4.881 -3.683 393 H VAL 84 H VAL 84 -4.725 3.115 -1.600 394 HA VAL 84 HA VAL 84 -6.874 1.163 -0.906 395 HB VAL 84 HB VAL 84 -5.454 0.032 0.674 396 1HG1 VAL 84 1HG1 VAL 84 -3.836 0.184 -1.893 397 2HG1 VAL 84 2HG1 VAL 84 -4.024 -1.178 -0.766 398 3HG1 VAL 84 3HG1 VAL 84 -5.402 -0.641 -1.758 399 1HG2 VAL 84 1HG2 VAL 84 -3.231 1.907 -0.198 400 2HG2 VAL 84 2HG2 VAL 84 -4.010 1.854 1.385 401 3HG2 VAL 84 3HG2 VAL 84 -3.034 0.482 0.859 402 H HIS 85 H HID 85 -7.776 1.517 1.203 403 HA HIS 85 HA HID 85 -7.003 3.953 2.614 404 1HB HIS 85 2HB HID 85 -9.116 5.138 2.211 405 2HB HIS 85 3HB HID 85 -8.172 4.908 0.745 406 HD1 HIS 85 1HD HID 85 -10.575 5.613 -0.364 407 HD2 HIS 85 2HD HID 85 -9.954 1.745 1.091 408 HE1 HIS 85 1HE HID 85 -12.514 4.209 -1.214 409 H ASP 86 H ASP 86 -8.858 4.451 4.272 410 HA ASP 86 HA ASP 86 -10.354 2.156 5.106 411 1HB ASP 86 2HB ASP 86 -8.222 1.506 5.986 412 2HB ASP 86 3HB ASP 86 -8.010 3.046 6.829 413 H SER 87 H SER 87 -11.684 2.565 6.855 414 HA SER 87 HA SER 87 -13.688 4.040 6.628 415 1HB SER 87 2HB SER 87 -12.106 4.249 9.215 416 2HB SER 87 3HB SER 87 -13.831 4.633 9.043 417 HG SER 87 HG SER 87 -14.021 2.412 8.178 418 H LEU 88 H LEU 88 -12.816 5.445 5.065 419 HA LEU 88 HA LEU 88 -11.357 6.912 4.269 420 1HB LEU 88 2HB LEU 88 -14.147 7.573 4.374 421 2HB LEU 88 3HB LEU 88 -13.315 9.086 4.319 422 HG LEU 88 HG LEU 88 -14.094 8.119 2.179 423 1HD1 LEU 88 1HD1 LEU 88 -12.439 9.897 2.219 424 2HD1 LEU 88 2HD1 LEU 88 -11.118 8.712 2.321 425 3HD1 LEU 88 3HD1 LEU 88 -12.139 8.794 0.867 426 1HD2 LEU 88 1HD2 LEU 88 -11.725 6.224 2.222 427 2HD2 LEU 88 2HD2 LEU 88 -13.385 5.727 2.634 428 3HD2 LEU 88 3HD2 LEU 88 -13.014 6.371 1.025 429 H GLY 89 H GLY 89 -10.562 6.964 6.925 430 1HA GLY 89 1HA GLY 89 -9.986 9.633 7.868 431 2HA GLY 89 2HA GLY 89 -9.064 8.156 8.209 432 H GLY 90 H GLY 90 -8.774 7.589 5.246 433 1HA GLY 90 1HA GLY 90 -7.923 9.637 3.719 434 2HA GLY 90 2HA GLY 90 -6.441 9.188 4.591 435 H GLU 91 H GLU 91 -6.165 8.871 2.044 436 HA GLU 91 HA GLU 91 -6.413 6.013 1.433 437 1HB GLU 91 2HB GLU 91 -8.357 7.188 0.451 438 2HB GLU 91 3HB GLU 91 -7.310 8.357 -0.344 439 1HG GLU 91 2HG GLU 91 -6.713 6.935 -2.038 440 2HG GLU 91 3HG GLU 91 -6.705 5.509 -1.003 441 H ILE 92 H ILE 92 -4.657 5.275 0.205 442 HA ILE 92 HA ILE 92 -2.612 7.247 -0.561 443 HB ILE 92 HB ILE 92 -2.281 6.532 1.860 444 1HG1 ILE 92 2HG1 ILE 92 0.108 6.167 1.731 445 2HG1 ILE 92 3HG1 ILE 92 0.013 5.792 0.003 446 1HG2 ILE 92 1HG2 ILE 92 -1.432 4.349 2.390 447 2HG2 ILE 92 2HG2 ILE 92 -2.983 4.156 1.556 448 3HG2 ILE 92 3HG2 ILE 92 -1.463 3.846 0.691 449 1HD1 ILE 92 1HD1 ILE 92 -0.541 8.062 -0.541 450 2HD1 ILE 92 2HD1 ILE 92 -0.965 8.439 1.145 451 3HD1 ILE 92 3HD1 ILE 92 0.723 8.182 0.693 452 H LEU 93 H LEU 93 -1.026 6.388 -2.008 453 HA LEU 93 HA LEU 93 -2.201 4.263 -3.688 454 1HB LEU 93 2HB LEU 93 -0.555 6.699 -4.146 455 2HB LEU 93 3HB LEU 93 -0.028 5.308 -5.088 456 HG LEU 93 HG LEU 93 -2.944 6.144 -5.044 457 1HD1 LEU 93 1HD1 LEU 93 -0.749 7.052 -6.960 458 2HD1 LEU 93 2HD1 LEU 93 -2.490 7.341 -7.166 459 3HD1 LEU 93 3HD1 LEU 93 -1.629 8.081 -5.805 460 1HD2 LEU 93 1HD2 LEU 93 -2.361 3.848 -5.909 461 2HD2 LEU 93 2HD2 LEU 93 -2.979 4.904 -7.187 462 3HD2 LEU 93 3HD2 LEU 93 -1.238 4.589 -7.060 463 H VAL 94 H VAL 94 -1.429 2.286 -3.658 464 HA VAL 94 HA VAL 94 1.307 1.750 -2.623 465 HB VAL 94 HB VAL 94 -1.148 -0.030 -2.925 466 1HG1 VAL 94 1HG1 VAL 94 0.921 -1.311 -3.302 467 2HG1 VAL 94 2HG1 VAL 94 1.650 -0.572 -1.859 468 3HG1 VAL 94 3HG1 VAL 94 0.261 -1.680 -1.692 469 1HG2 VAL 94 1HG2 VAL 94 -1.132 -0.075 -0.483 470 2HG2 VAL 94 2HG2 VAL 94 0.321 0.937 -0.428 471 3HG2 VAL 94 3HG2 VAL 94 -1.204 1.618 -1.005 472 H THR 95 H THR 95 2.800 1.367 -4.189 473 HA THR 95 HA THR 95 1.892 0.613 -6.930 474 HB THR 95 HB THR 95 4.038 1.428 -7.697 475 HG1 THR 95 1HG THR 95 5.256 1.050 -5.805 476 1HG2 THR 95 1HG2 THR 95 2.790 3.505 -5.845 477 2HG2 THR 95 2HG2 THR 95 3.735 3.811 -7.316 478 3HG2 THR 95 3HG2 THR 95 2.130 3.064 -7.431 479 H TYR 96 H TYR 96 2.825 -1.229 -7.894 480 HA TYR 96 HA TYR 96 4.479 -3.015 -6.272 481 1HB TYR 96 2HB TYR 96 1.851 -3.161 -5.889 482 2HB TYR 96 3HB TYR 96 1.828 -3.926 -7.458 483 HD1 TYR 96 HD1 TYR 96 3.274 -6.068 -7.737 484 HD2 TYR 96 HD2 TYR 96 2.209 -4.401 -3.922 485 HE1 TYR 96 HE1 TYR 96 3.627 -8.281 -6.691 486 HE2 TYR 96 HE2 TYR 96 2.555 -6.623 -2.877 487 HH TYR 96 HH TYR 96 4.041 -9.058 -3.935 488 H ASP 97 H ASP 97 5.219 -4.944 -7.629 489 HA ASP 97 HA ASP 97 5.358 -4.451 -10.427 490 1HB ASP 97 2HB ASP 97 7.832 -4.545 -10.232 491 2HB ASP 97 3HB ASP 97 7.177 -3.111 -9.430 492 H ASP 98 H ASP 98 6.194 -6.203 -11.349 493 HA ASP 98 HA ASP 98 6.099 -8.349 -12.096 494 1HB ASP 98 2HB ASP 98 7.355 -8.737 -9.381 495 2HB ASP 98 3HB ASP 98 6.769 -10.126 -10.283 496 H LEU 99 H LEU 99 3.863 -7.619 -12.176 497 HA LEU 99 HA LEU 99 1.644 -7.765 -11.834 498 1HB LEU 99 2HB LEU 99 2.337 -10.720 -11.696 499 2HB LEU 99 3HB LEU 99 0.719 -10.037 -11.966 500 HG LEU 99 HG LEU 99 1.916 -8.747 -13.934 501 1HD1 LEU 99 1HD1 LEU 99 4.179 -9.760 -13.596 502 2HD1 LEU 99 2HD1 LEU 99 3.469 -11.379 -13.750 503 3HD1 LEU 99 3HD1 LEU 99 3.478 -10.270 -15.134 504 1HD2 LEU 99 1HD2 LEU 99 -0.067 -10.151 -14.146 505 2HD2 LEU 99 2HD2 LEU 99 1.078 -10.506 -15.447 506 3HD2 LEU 99 3HD2 LEU 99 0.932 -11.620 -14.069 507 H LEU 100 H LEU 100 0.472 -10.089 -10.018 508 HA LEU 100 HA LEU 100 1.163 -9.185 -7.353 509 1HB LEU 100 2HB LEU 100 -1.306 -8.342 -8.931 510 2HB LEU 100 3HB LEU 100 -1.538 -8.732 -7.239 511 HG LEU 100 HG LEU 100 0.558 -6.674 -8.009 512 1HD1 LEU 100 1HD1 LEU 100 -1.252 -4.980 -7.649 513 2HD1 LEU 100 2HD1 LEU 100 -1.360 -5.907 -9.160 514 3HD1 LEU 100 3HD1 LEU 100 -2.427 -6.317 -7.821 515 1HD2 LEU 100 1HD2 LEU 100 -1.115 -7.234 -5.531 516 2HD2 LEU 100 2HD2 LEU 100 0.604 -7.495 -5.736 517 3HD2 LEU 100 3HD2 LEU 100 -0.038 -5.841 -5.737 518 HA PRO 101 HA PRO 101 -0.707 -13.381 -7.110 519 1HB PRO 101 2HB PRO 101 -1.377 -13.580 -4.486 520 2HB PRO 101 3HB PRO 101 0.330 -13.560 -5.025 521 1HG PRO 101 2HG PRO 101 -1.314 -11.216 -4.031 522 2HG PRO 101 3HG PRO 101 0.277 -11.715 -3.429 523 1HD PRO 101 2HD PRO 101 -0.003 -9.766 -5.324 524 2HD PRO 101 3HD PRO 101 1.359 -10.919 -5.422 525 H ASP 102 H ASP 102 -2.808 -13.973 -7.609 526 HA ASP 102 HA ASP 102 -4.755 -13.262 -8.657 527 1HB ASP 102 2HB ASP 102 -5.225 -13.904 -5.726 528 2HB ASP 102 3HB ASP 102 -6.471 -13.941 -6.986 529 H LEU 103 H LEU 103 -3.723 -10.885 -8.591 530 HA LEU 103 HA LEU 103 -3.992 -8.649 -8.228 531 1HB LEU 103 2HB LEU 103 -6.309 -7.874 -9.106 532 2HB LEU 103 3HB LEU 103 -5.164 -8.718 -10.123 533 HG LEU 103 HG LEU 103 -6.414 -10.827 -9.911 534 1HD1 LEU 103 1HD1 LEU 103 -8.049 -11.160 -8.398 535 2HD1 LEU 103 2HD1 LEU 103 -7.831 -9.505 -7.795 536 3HD1 LEU 103 3HD1 LEU 103 -8.984 -9.834 -9.087 537 1HD2 LEU 103 1HD2 LEU 103 -8.033 -8.433 -10.852 538 2HD2 LEU 103 2HD2 LEU 103 -6.779 -9.280 -11.785 539 3HD2 LEU 103 3HD2 LEU 103 -8.277 -10.122 -11.351 540 H PHE 104 H PHE 104 -4.108 -9.891 -5.738 541 HA PHE 104 HA PHE 104 -4.920 -9.778 -3.633 542 1HB PHE 104 2HB PHE 104 -4.815 -7.592 -2.588 543 2HB PHE 104 3HB PHE 104 -3.435 -7.910 -3.618 544 HD1 PHE 104 1HD PHE 104 -3.130 -6.656 -5.727 545 HD2 PHE 104 2HD PHE 104 -6.364 -5.727 -3.066 546 HE1 PHE 104 1HE PHE 104 -3.528 -4.508 -6.931 547 HE2 PHE 104 2HE PHE 104 -6.976 -3.808 -4.514 548 HZ PHE 104 HZ PHE 104 -5.612 -3.254 -6.480 549 H ARG 105 H ARG 105 -6.968 -10.797 -3.925 550 HA ARG 105 HA ARG 105 -8.557 -9.996 -5.789 551 1HB ARG 105 2HB ARG 105 -9.478 -11.482 -3.283 552 2HB ARG 105 3HB ARG 105 -10.418 -11.349 -4.764 553 1HG ARG 105 2HG ARG 105 -7.904 -12.348 -5.556 554 2HG ARG 105 3HG ARG 105 -8.246 -13.196 -4.061 555 1HD ARG 105 2HD ARG 105 -10.196 -13.009 -6.427 556 2HD ARG 105 3HD ARG 105 -8.991 -14.263 -6.241 557 HE ARG 105 HE ARG 105 -10.050 -15.262 -4.502 558 1HH1 ARG 105 2HH2 ARG 105 -11.924 -12.406 -5.441 559 2HH1 ARG 105 1HH2 ARG 105 -13.293 -12.791 -4.454 560 1HH2 ARG 105 1HH1 ARG 105 -11.883 -15.837 -3.266 561 2HH2 ARG 105 2HH1 ARG 105 -13.287 -14.822 -3.237 562 H GLU 106 H GLU 106 -9.798 -8.144 -6.173 563 HA GLU 106 HA GLU 106 -9.657 -6.413 -4.030 564 1HB GLU 106 2HB GLU 106 -11.097 -5.879 -6.661 565 2HB GLU 106 3HB GLU 106 -10.381 -4.698 -5.559 566 1HG GLU 106 2HG GLU 106 -8.689 -4.760 -7.047 567 2HG GLU 106 3HG GLU 106 -8.148 -6.115 -6.054 568 H GLY 107 H GLY 107 -11.320 -4.734 -3.532 569 1HA GLY 107 1HA GLY 107 -13.250 -4.177 -2.418 570 2HA GLY 107 2HA GLY 107 -14.090 -5.534 -3.191 571 H GLN 108 H GLN 108 -11.089 -5.586 -1.174 572 HA GLN 108 HA GLN 108 -12.519 -6.452 1.177 573 1HB GLN 108 2HB GLN 108 -11.534 -8.565 1.477 574 2HB GLN 108 3HB GLN 108 -12.132 -8.577 -0.181 575 1HG GLN 108 2HG GLN 108 -9.736 -8.010 -0.916 576 2HG GLN 108 3HG GLN 108 -9.247 -8.219 0.764 577 1HE2 GLN 108 1HE2 GLN 108 -10.975 -9.978 -1.808 578 2HE2 GLN 108 2HE2 GLN 108 -10.557 -11.590 -1.214 579 H GLY 109 H GLY 109 -10.633 -7.020 2.886 580 1HA GLY 109 1HA GLY 109 -8.631 -4.849 2.691 581 2HA GLY 109 2HA GLY 109 -9.142 -5.615 4.187 582 H ILE 110 H ILE 110 -6.524 -5.172 2.662 583 HA ILE 110 HA ILE 110 -5.498 -7.936 2.883 584 HB ILE 110 HB ILE 110 -4.356 -7.930 0.794 585 1HG1 ILE 110 2HG1 ILE 110 -5.372 -5.884 -0.818 586 2HG1 ILE 110 3HG1 ILE 110 -4.983 -5.046 0.681 587 1HG2 ILE 110 1HG2 ILE 110 -6.759 -8.698 0.804 588 2HG2 ILE 110 2HG2 ILE 110 -7.208 -7.116 0.134 589 3HG2 ILE 110 3HG2 ILE 110 -6.149 -8.202 -0.775 590 1HD1 ILE 110 1HD1 ILE 110 -3.064 -5.091 -0.847 591 2HD1 ILE 110 2HD1 ILE 110 -2.686 -6.076 0.582 592 3HD1 ILE 110 3HD1 ILE 110 -3.136 -6.860 -0.951 593 H VAL 111 H VAL 111 -3.148 -7.941 3.240 594 HA VAL 111 HA VAL 111 -2.203 -5.285 4.254 595 HB VAL 111 HB VAL 111 -0.937 -6.369 5.929 596 1HG1 VAL 111 1HG1 VAL 111 -3.349 -5.762 6.354 597 2HG1 VAL 111 2HG1 VAL 111 -3.794 -7.441 6.018 598 3HG1 VAL 111 3HG1 VAL 111 -2.743 -7.060 7.394 599 1HG2 VAL 111 1HG2 VAL 111 -2.131 -9.003 4.979 600 2HG2 VAL 111 2HG2 VAL 111 -0.410 -8.538 4.950 601 3HG2 VAL 111 3HG2 VAL 111 -1.243 -8.769 6.490 602 H ALA 112 H ALA 112 -0.602 -4.399 3.221 603 HA ALA 112 HA ALA 112 0.950 -5.986 1.231 604 1HB ALA 112 1HB ALA 112 0.322 -3.021 1.145 605 2HB ALA 112 2HB ALA 112 0.936 -4.044 -0.160 606 3HB ALA 112 3HB ALA 112 -0.745 -4.213 0.406 607 H GLN 113 H GLN 113 3.228 -5.522 1.086 608 HA GLN 113 HA GLN 113 4.288 -3.432 2.873 609 1HB GLN 113 2HB GLN 113 5.802 -4.916 4.023 610 2HB GLN 113 3HB GLN 113 4.117 -5.485 4.233 611 1HG GLN 113 2HG GLN 113 4.708 -6.930 2.148 612 2HG GLN 113 3HG GLN 113 6.391 -6.716 2.653 613 1HE2 GLN 113 1HE2 GLN 113 6.796 -8.825 3.625 614 2HE2 GLN 113 2HE2 GLN 113 5.892 -9.392 4.958 615 H GLY 114 H GLY 114 6.379 -2.876 2.648 616 1HA GLY 114 1HA GLY 114 8.439 -3.784 1.228 617 2HA GLY 114 2HA GLY 114 7.551 -2.941 -0.039 618 H VAL 115 H VAL 115 8.218 -0.778 -0.188 619 HA VAL 115 HA VAL 115 9.341 0.485 2.264 620 HB VAL 115 HB VAL 115 11.182 -0.532 1.215 621 1HG1 VAL 115 1HG1 VAL 115 10.296 -0.910 -1.079 622 2HG1 VAL 115 2HG1 VAL 115 10.405 0.836 -1.398 623 3HG1 VAL 115 3HG1 VAL 115 11.872 -0.115 -1.114 624 1HG2 VAL 115 1HG2 VAL 115 11.294 2.388 0.399 625 2HG2 VAL 115 2HG2 VAL 115 11.543 1.761 2.045 626 3HG2 VAL 115 3HG2 VAL 115 12.651 1.304 0.747 627 H LEU 116 H LEU 116 9.281 2.635 2.465 628 HA LEU 116 HA LEU 116 7.236 4.052 0.992 629 1HB LEU 116 2HB LEU 116 9.458 4.873 2.912 630 2HB LEU 116 3HB LEU 116 8.546 6.092 1.999 631 HG LEU 116 HG LEU 116 7.744 5.875 4.256 632 1HD1 LEU 116 1HD1 LEU 116 6.345 6.658 2.366 633 2HD1 LEU 116 2HD1 LEU 116 5.682 5.032 2.187 634 3HD1 LEU 116 3HD1 LEU 116 5.411 5.918 3.693 635 1HD2 LEU 116 1HD2 LEU 116 6.830 3.087 3.453 636 2HD2 LEU 116 2HD2 LEU 116 8.054 3.496 4.680 637 3HD2 LEU 116 3HD2 LEU 116 6.367 3.969 4.924 638 H GLY 117 H GLY 117 7.296 5.006 -0.952 639 1HA GLY 117 1HA GLY 117 9.866 5.808 -2.194 640 2HA GLY 117 2HA GLY 117 8.390 5.308 -3.035 641 H GLU 118 H GLU 118 10.086 7.903 -2.376 642 HA GLU 118 HA GLU 118 9.742 10.139 -2.701 643 1HB GLU 118 2HB GLU 118 8.403 8.856 -4.618 644 2HB GLU 118 3HB GLU 118 6.985 9.495 -3.783 645 1HG GLU 118 2HG GLU 118 7.925 11.800 -4.062 646 2HG GLU 118 3HG GLU 118 9.307 11.103 -4.920 647 H ASP 119 H ASP 119 8.979 9.082 -0.142 648 HA ASP 119 HA ASP 119 7.605 9.223 1.676 649 1HB ASP 119 2HB ASP 119 7.869 12.160 0.935 650 2HB ASP 119 3HB ASP 119 7.308 11.558 2.497 651 H GLY 120 H GLY 120 6.099 8.504 -0.637 652 1HA GLY 120 1HA GLY 120 3.407 9.554 0.086 653 2HA GLY 120 2HA GLY 120 4.064 9.967 -1.502 654 H LYS 121 H LYS 121 5.133 7.796 -2.584 655 HA LYS 121 HA LYS 121 2.798 6.008 -2.871 656 1HB LYS 121 2HB LYS 121 5.222 6.724 -4.488 657 2HB LYS 121 3HB LYS 121 4.679 5.055 -4.600 658 1HG LYS 121 2HG LYS 121 3.627 6.371 -6.318 659 2HG LYS 121 3HG LYS 121 2.417 5.740 -5.194 660 1HD LYS 121 2HD LYS 121 1.787 7.824 -4.479 661 2HD LYS 121 3HD LYS 121 3.456 8.432 -4.428 662 1HE LYS 121 2HE LYS 121 3.534 8.761 -6.817 663 2HE LYS 121 3HE LYS 121 1.912 8.067 -6.994 664 1HZ LYS 121 1HZ LYS 121 1.931 10.484 -7.015 665 2HZ LYS 121 2HZ LYS 121 1.058 9.929 -5.734 666 3HZ LYS 121 3HZ LYS 121 2.581 10.530 -5.510 667 H LEU 122 H LEU 122 2.672 4.052 -1.939 668 HA LEU 122 HA LEU 122 5.003 3.113 -0.341 669 1HB LEU 122 2HB LEU 122 2.084 2.391 -0.522 670 2HB LEU 122 3HB LEU 122 3.232 1.285 0.236 671 HG LEU 122 HG LEU 122 1.990 2.830 1.773 672 1HD1 LEU 122 1HD1 LEU 122 5.033 2.875 1.826 673 2HD1 LEU 122 2HD1 LEU 122 3.989 3.353 3.173 674 3HD1 LEU 122 3HD1 LEU 122 3.950 1.687 2.567 675 1HD2 LEU 122 1HD2 LEU 122 3.856 5.019 0.761 676 2HD2 LEU 122 2HD2 LEU 122 2.125 4.896 0.387 677 3HD2 LEU 122 3HD2 LEU 122 2.659 5.133 2.057 678 H ALA 123 H ALA 123 6.534 2.047 -1.456 679 HA ALA 123 HA ALA 123 5.795 0.609 -3.946 680 1HB ALA 123 1HB ALA 123 8.501 1.143 -2.680 681 2HB ALA 123 2HB ALA 123 8.204 0.349 -4.237 682 3HB ALA 123 3HB ALA 123 7.762 2.054 -4.011 683 H ALA 124 H ALA 124 4.539 -1.031 -3.113 684 HA ALA 124 HA ALA 124 5.710 -2.793 -1.027 685 1HB ALA 124 1HB ALA 124 2.890 -2.602 -2.096 686 2HB ALA 124 2HB ALA 124 3.442 -3.676 -0.796 687 3HB ALA 124 3HB ALA 124 3.493 -1.913 -0.562 688 H THR 125 H THR 125 6.066 -5.020 -1.520 689 HA THR 125 HA THR 125 5.189 -5.935 -4.209 690 HB THR 125 HB THR 125 7.389 -5.064 -4.628 691 HG1 THR 125 1HG THR 125 6.587 -6.827 -5.833 692 1HG2 THR 125 1HG2 THR 125 8.465 -5.496 -2.440 693 2HG2 THR 125 2HG2 THR 125 8.368 -7.249 -2.738 694 3HG2 THR 125 3HG2 THR 125 9.370 -6.222 -3.780 695 H GLU 126 H GLU 126 4.873 -6.513 -1.040 696 HA GLU 126 HA GLU 126 4.286 -9.366 -1.654 697 1HB GLU 126 2HB GLU 126 6.351 -9.387 -0.437 698 2HB GLU 126 3HB GLU 126 5.737 -8.285 0.783 699 1HG GLU 126 2HG GLU 126 4.166 -10.007 1.575 700 2HG GLU 126 3HG GLU 126 4.646 -11.080 0.245 701 H VAL 127 H VAL 127 2.142 -9.553 -1.528 702 HA VAL 127 HA VAL 127 0.636 -7.945 0.463 703 HB VAL 127 HB VAL 127 -1.284 -8.147 -1.182 704 1HG1 VAL 127 1HG1 VAL 127 -0.634 -6.006 -0.789 705 2HG1 VAL 127 2HG1 VAL 127 0.975 -6.188 -1.489 706 3HG1 VAL 127 3HG1 VAL 127 -0.456 -6.112 -2.546 707 1HG2 VAL 127 1HG2 VAL 127 -0.135 -9.693 -2.736 708 2HG2 VAL 127 2HG2 VAL 127 -0.942 -8.316 -3.486 709 3HG2 VAL 127 3HG2 VAL 127 0.821 -8.328 -3.313 710 H LEU 128 H LEU 128 -0.582 -9.080 1.796 711 HA LEU 128 HA LEU 128 -1.048 -11.986 1.235 712 1HB LEU 128 2HB LEU 128 -0.853 -10.638 3.924 713 2HB LEU 128 3HB LEU 128 -1.011 -12.348 3.582 714 HG LEU 128 HG LEU 128 1.176 -12.042 4.279 715 1HD1 LEU 128 1HD1 LEU 128 1.449 -12.109 1.256 716 2HD1 LEU 128 2HD1 LEU 128 2.581 -12.739 2.455 717 3HD1 LEU 128 3HD1 LEU 128 0.981 -13.490 2.273 718 1HD2 LEU 128 1HD2 LEU 128 2.802 -10.486 3.553 719 2HD2 LEU 128 2HD2 LEU 128 1.768 -9.822 2.293 720 3HD2 LEU 128 3HD2 LEU 128 1.362 -9.571 4.001 721 H ALA 129 H ALA 129 -3.063 -12.031 0.441 722 HA ALA 129 HA ALA 129 -5.179 -10.212 1.375 723 1HB ALA 129 1HB ALA 129 -6.519 -11.246 -0.398 724 2HB ALA 129 2HB ALA 129 -4.948 -10.709 -1.021 725 3HB ALA 129 3HB ALA 129 -5.234 -12.435 -0.702 726 H LYS 130 H LYS 130 -4.532 -11.373 3.537 727 HA LYS 130 HA LYS 130 -5.765 -13.979 4.016 728 1HB LYS 130 2HB LYS 130 -5.018 -13.656 6.313 729 2HB LYS 130 3HB LYS 130 -3.728 -13.441 5.126 730 1HG LYS 130 2HG LYS 130 -3.955 -10.944 5.340 731 2HG LYS 130 3HG LYS 130 -5.159 -11.172 6.603 732 1HD LYS 130 2HD LYS 130 -2.284 -12.179 6.686 733 2HD LYS 130 3HD LYS 130 -2.876 -10.674 7.415 734 1HE LYS 130 2HE LYS 130 -4.480 -12.012 8.823 735 2HE LYS 130 3HE LYS 130 -3.773 -13.502 8.179 736 1HZ LYS 130 1HZ LYS 130 -2.834 -12.923 10.281 737 2HZ LYS 130 2HZ LYS 130 -1.673 -12.857 9.119 738 3HZ LYS 130 3HZ LYS 130 -2.319 -11.466 9.724 739 H HIS 131 H HID 131 -7.861 -12.920 3.054 740 HA HIS 131 HA HID 131 -9.572 -11.998 5.337 741 1HB HIS 131 2HB HID 131 -8.627 -10.402 3.206 742 2HB HIS 131 3HB HID 131 -10.295 -10.736 2.792 743 HD1 HIS 131 1HD HID 131 -12.125 -9.523 4.254 744 HD2 HIS 131 2HD HID 131 -8.160 -9.119 5.594 745 HE1 HIS 131 1HE HID 131 -12.127 -7.649 6.008 746 H ASP 132 H ASP 132 -9.402 -14.611 4.678 747 HA ASP 132 HA ASP 132 -11.058 -15.778 2.903 748 1HB ASP 132 2HB ASP 132 -10.795 -16.498 5.856 749 2HB ASP 132 3HB ASP 132 -11.238 -17.591 4.540 Start of MODEL 28 1 H SER 32 H SER 32 19.586 -2.056 13.012 2 HA SER 32 HA SER 32 19.763 -3.604 10.491 3 1HB SER 32 2HB SER 32 19.765 -5.203 12.499 4 2HB SER 32 3HB SER 32 18.147 -4.573 12.879 5 HG SER 32 HG SER 32 19.018 -6.016 10.601 6 H ASN 33 H ASN 33 17.206 -4.163 10.097 7 HA ASN 33 HA ASN 33 15.855 -1.517 10.100 8 1HB ASN 33 2HB ASN 33 14.684 -2.092 8.169 9 2HB ASN 33 3HB ASN 33 16.320 -2.671 7.865 10 1HD2 ASN 33 1HD2 ASN 33 12.910 -3.610 8.368 11 2HD2 ASN 33 2HD2 ASN 33 13.210 -5.311 8.003 12 H LEU 34 H LEU 34 13.332 -1.861 10.087 13 HA LEU 34 HA LEU 34 12.451 -4.245 11.498 14 1HB LEU 34 2HB LEU 34 11.359 -3.292 13.266 15 2HB LEU 34 3HB LEU 34 12.913 -2.494 13.240 16 HG LEU 34 HG LEU 34 11.509 -0.808 13.779 17 1HD1 LEU 34 1HD1 LEU 34 11.513 -0.473 10.755 18 2HD1 LEU 34 2HD1 LEU 34 11.364 0.796 11.977 19 3HD1 LEU 34 3HD1 LEU 34 12.881 -0.115 11.832 20 1HD2 LEU 34 1HD2 LEU 34 9.412 -1.383 11.690 21 2HD2 LEU 34 2HD2 LEU 34 9.393 -2.147 13.297 22 3HD2 LEU 34 3HD2 LEU 34 9.314 -0.385 13.139 23 H ASN 35 H ASN 35 9.851 -4.065 11.494 24 HA ASN 35 HA ASN 35 8.695 -2.329 9.594 25 1HB ASN 35 2HB ASN 35 7.802 -3.971 8.011 26 2HB ASN 35 3HB ASN 35 9.563 -3.969 7.922 27 1HD2 ASN 35 1HD2 ASN 35 10.730 -5.817 8.746 28 2HD2 ASN 35 2HD2 ASN 35 9.912 -7.324 9.102 29 H LEU 36 H LEU 36 6.269 -2.544 9.752 30 HA LEU 36 HA LEU 36 5.146 -4.638 11.315 31 1HB LEU 36 2HB LEU 36 4.406 -3.543 13.226 32 2HB LEU 36 3HB LEU 36 6.111 -3.131 13.141 33 HG LEU 36 HG LEU 36 3.758 -1.326 12.382 34 1HD1 LEU 36 1HD1 LEU 36 5.699 -1.245 14.722 35 2HD1 LEU 36 2HD1 LEU 36 4.392 -0.089 14.398 36 3HD1 LEU 36 3HD1 LEU 36 4.002 -1.767 14.791 37 1HD2 LEU 36 1HD2 LEU 36 5.664 -0.690 10.982 38 2HD2 LEU 36 2HD2 LEU 36 5.499 0.482 12.288 39 3HD2 LEU 36 3HD2 LEU 36 6.759 -0.762 12.384 40 H PHE 37 H PHE 37 2.709 -4.097 11.687 41 HA PHE 37 HA PHE 37 1.688 -3.266 9.081 42 1HB PHE 37 2HB PHE 37 0.327 -4.451 11.515 43 2HB PHE 37 3HB PHE 37 -0.486 -4.044 10.018 44 HD1 PHE 37 1HD PHE 37 1.672 -6.521 11.665 45 HD2 PHE 37 2HD PHE 37 -0.086 -5.293 7.922 46 HE1 PHE 37 1HE PHE 37 2.081 -8.774 10.732 47 HE2 PHE 37 2HE PHE 37 0.468 -7.509 6.950 48 HZ PHE 37 HZ PHE 37 1.513 -9.260 8.334 49 H TYR 38 H TYR 38 0.450 -1.447 8.667 50 HA TYR 38 HA TYR 38 -0.565 0.202 10.890 51 1HB TYR 38 2HB TYR 38 1.748 0.890 9.182 52 2HB TYR 38 3HB TYR 38 0.456 2.061 9.022 53 HD1 TYR 38 HD1 TYR 38 -0.489 3.232 11.050 54 HD2 TYR 38 HD2 TYR 38 3.071 0.805 11.220 55 HE1 TYR 38 HE1 TYR 38 0.122 4.259 13.230 56 HE2 TYR 38 HE2 TYR 38 3.717 1.909 13.343 57 HH TYR 38 HH TYR 38 3.066 3.359 15.011 58 H THR 39 H THR 39 -2.127 1.812 10.191 59 HA THR 39 HA THR 39 -3.875 0.811 8.153 60 HB THR 39 HB THR 39 -5.090 3.000 9.258 61 HG1 THR 39 1HG THR 39 -4.073 3.607 11.107 62 1HG2 THR 39 1HG2 THR 39 -4.638 0.329 10.669 63 2HG2 THR 39 2HG2 THR 39 -5.955 1.476 11.000 64 3HG2 THR 39 3HG2 THR 39 -5.875 0.656 9.435 65 HA PRO 40 HA PRO 40 -2.324 3.597 4.997 66 1HB PRO 40 2HB PRO 40 -4.596 3.944 3.441 67 2HB PRO 40 3HB PRO 40 -3.511 2.527 3.396 68 1HG PRO 40 2HG PRO 40 -6.072 2.846 4.970 69 2HG PRO 40 3HG PRO 40 -5.596 1.470 3.926 70 1HD PRO 40 2HD PRO 40 -5.291 1.326 6.579 71 2HD PRO 40 3HD PRO 40 -3.953 0.766 5.526 72 H SER 41 H SER 41 -5.537 4.428 6.502 73 HA SER 41 HA SER 41 -5.452 7.141 5.786 74 1HB SER 41 2HB SER 41 -7.079 7.246 7.844 75 2HB SER 41 3HB SER 41 -7.499 6.329 6.388 76 HG SER 41 HG SER 41 -6.465 5.245 8.804 77 H GLU 42 H GLU 42 -3.869 5.449 8.481 78 HA GLU 42 HA GLU 42 -3.242 7.721 10.066 79 1HB GLU 42 2HB GLU 42 -2.545 4.934 10.070 80 2HB GLU 42 3HB GLU 42 -1.021 5.776 9.917 81 1HG GLU 42 2HG GLU 42 -1.339 5.636 12.221 82 2HG GLU 42 3HG GLU 42 -1.783 7.292 11.832 83 H ILE 43 H ILE 43 -1.503 6.061 7.468 84 HA ILE 43 HA ILE 43 0.739 7.799 7.613 85 HB ILE 43 HB ILE 43 1.534 6.630 5.561 86 1HG1 ILE 43 2HG1 ILE 43 -0.769 4.758 6.157 87 2HG1 ILE 43 3HG1 ILE 43 -0.692 5.880 4.780 88 1HG2 ILE 43 1HG2 ILE 43 2.179 6.146 7.933 89 2HG2 ILE 43 2HG2 ILE 43 0.835 4.992 8.037 90 3HG2 ILE 43 3HG2 ILE 43 2.195 4.706 6.931 91 1HD1 ILE 43 1HD1 ILE 43 1.416 4.718 4.045 92 2HD1 ILE 43 2HD1 ILE 43 1.177 3.545 5.360 93 3HD1 ILE 43 3HD1 ILE 43 -0.018 3.670 4.065 94 H VAL 44 H VAL 44 -2.252 8.324 6.072 95 HA VAL 44 HA VAL 44 -1.252 10.429 4.306 96 HB VAL 44 HB VAL 44 -4.038 9.765 5.311 97 1HG1 VAL 44 1HG1 VAL 44 -3.103 11.785 3.220 98 2HG1 VAL 44 2HG1 VAL 44 -4.786 11.268 3.443 99 3HG1 VAL 44 3HG1 VAL 44 -3.965 12.154 4.729 100 1HG2 VAL 44 1HG2 VAL 44 -2.652 9.258 2.658 101 2HG2 VAL 44 2HG2 VAL 44 -3.145 8.039 3.860 102 3HG2 VAL 44 3HG2 VAL 44 -4.369 8.975 3.005 103 H ASN 45 H ASN 45 -2.903 10.339 7.514 104 HA ASN 45 HA ASN 45 -3.387 13.087 7.606 105 1HB ASN 45 2HB ASN 45 -3.167 11.018 9.813 106 2HB ASN 45 3HB ASN 45 -3.440 12.722 10.183 107 1HD2 ASN 45 1HD2 ASN 45 -4.897 9.966 8.302 108 2HD2 ASN 45 2HD2 ASN 45 -6.502 10.665 8.395 109 H GLY 46 H GLY 46 -0.893 11.578 9.652 110 1HA GLY 46 1HA GLY 46 0.755 14.092 9.607 111 2HA GLY 46 2HA GLY 46 0.026 13.558 11.122 112 H LYS 47 H LYS 47 1.678 12.049 8.363 113 HA LYS 47 HA LYS 47 3.664 10.695 9.991 114 1HB LYS 47 2HB LYS 47 1.314 9.246 8.895 115 2HB LYS 47 3HB LYS 47 2.882 8.411 9.072 116 1HG LYS 47 2HG LYS 47 2.277 7.930 11.140 117 2HG LYS 47 3HG LYS 47 2.592 9.609 11.538 118 1HD LYS 47 2HD LYS 47 0.041 9.930 10.698 119 2HD LYS 47 3HD LYS 47 0.012 8.183 10.890 120 1HE LYS 47 2HE LYS 47 -0.787 8.978 12.958 121 2HE LYS 47 3HE LYS 47 0.917 8.577 13.265 122 1HZ LYS 47 1HZ LYS 47 -0.331 11.211 12.928 123 2HZ LYS 47 2HZ LYS 47 0.527 10.665 14.217 124 3HZ LYS 47 3HZ LYS 47 1.283 11.035 12.785 125 H THR 48 H THR 48 2.682 9.050 7.070 126 HA THR 48 HA THR 48 5.233 9.545 5.914 127 HB THR 48 HB THR 48 2.761 8.232 4.720 128 HG1 THR 48 1HG THR 48 3.910 6.336 5.506 129 1HG2 THR 48 1HG2 THR 48 4.452 8.761 3.026 130 2HG2 THR 48 2HG2 THR 48 5.688 7.953 4.001 131 3HG2 THR 48 3HG2 THR 48 4.320 7.035 3.298 132 H ASP 49 H ASP 49 1.917 10.320 4.657 133 HA ASP 49 HA ASP 49 2.830 11.643 2.344 134 1HB ASP 49 2HB ASP 49 0.509 10.844 2.797 135 2HB ASP 49 3HB ASP 49 0.319 12.160 3.977 136 H THR 50 H THR 50 2.132 12.889 5.630 137 HA THR 50 HA THR 50 2.859 15.591 5.090 138 HB THR 50 HB THR 50 3.205 14.653 7.844 139 HG1 THR 50 1HG THR 50 0.603 14.156 6.975 140 1HG2 THR 50 1HG2 THR 50 1.419 16.300 8.276 141 2HG2 THR 50 2HG2 THR 50 2.679 16.962 7.215 142 3HG2 THR 50 3HG2 THR 50 1.125 16.446 6.528 143 H GLY 51 H GLY 51 4.767 12.724 5.655 144 1HA GLY 51 1HA GLY 51 6.921 12.276 6.034 145 2HA GLY 51 2HA GLY 51 7.284 13.849 5.313 146 H VAL 52 H VAL 52 5.525 13.045 8.353 147 HA VAL 52 HA VAL 52 7.427 14.919 9.759 148 HB VAL 52 HB VAL 52 5.722 15.214 11.459 149 1HG1 VAL 52 1HG1 VAL 52 4.919 15.901 8.610 150 2HG1 VAL 52 2HG1 VAL 52 4.294 16.680 10.076 151 3HG1 VAL 52 3HG1 VAL 52 6.010 16.815 9.658 152 1HG2 VAL 52 1HG2 VAL 52 3.353 14.630 10.896 153 2HG2 VAL 52 2HG2 VAL 52 3.957 13.546 9.631 154 3HG2 VAL 52 3HG2 VAL 52 4.348 13.241 11.333 155 H LYS 53 H LYS 53 5.780 11.799 10.428 156 HA LYS 53 HA LYS 53 7.668 11.432 12.680 157 1HB LYS 53 2HB LYS 53 4.915 10.555 12.133 158 2HB LYS 53 3HB LYS 53 5.926 9.294 12.824 159 1HG LYS 53 2HG LYS 53 5.682 12.108 13.965 160 2HG LYS 53 3HG LYS 53 4.664 10.762 14.471 161 1HD LYS 53 2HD LYS 53 7.705 10.901 14.801 162 2HD LYS 53 3HD LYS 53 6.485 11.160 16.047 163 1HE LYS 53 2HE LYS 53 5.656 8.791 15.636 164 2HE LYS 53 3HE LYS 53 7.041 8.543 14.557 165 1HZ LYS 53 1HZ LYS 53 7.242 9.216 17.410 166 2HZ LYS 53 2HZ LYS 53 7.490 7.738 16.738 167 3HZ LYS 53 3HZ LYS 53 8.505 8.976 16.379 168 HA PRO 54 HA PRO 54 8.959 7.636 10.303 169 1HB PRO 54 2HB PRO 54 7.683 6.639 8.128 170 2HB PRO 54 3HB PRO 54 7.048 6.361 9.779 171 1HG PRO 54 2HG PRO 54 6.175 8.447 7.772 172 2HG PRO 54 3HG PRO 54 5.140 7.360 8.733 173 1HD PRO 54 2HD PRO 54 5.783 9.975 9.433 174 2HD PRO 54 3HD PRO 54 5.369 8.707 10.635 175 H GLU 55 H GLU 55 10.700 7.822 8.900 176 HA GLU 55 HA GLU 55 10.737 9.970 6.868 177 1HB GLU 55 2HB GLU 55 13.145 9.371 6.725 178 2HB GLU 55 3HB GLU 55 12.644 9.895 8.335 179 1HG GLU 55 2HG GLU 55 12.605 7.520 9.109 180 2HG GLU 55 3HG GLU 55 13.057 7.007 7.468 181 H ALA 56 H ALA 56 11.540 9.360 4.696 182 HA ALA 56 HA ALA 56 10.159 7.079 3.593 183 1HB ALA 56 1HB ALA 56 11.183 7.792 1.465 184 2HB ALA 56 2HB ALA 56 10.519 9.184 2.334 185 3HB ALA 56 3HB ALA 56 12.270 8.889 2.342 186 H GLY 57 H GLY 57 11.489 5.523 2.097 187 1HA GLY 57 1HA GLY 57 13.003 3.831 1.893 188 2HA GLY 57 2HA GLY 57 14.176 4.872 2.711 189 H GLN 58 H GLN 58 11.208 3.958 4.354 190 HA GLN 58 HA GLN 58 12.665 2.036 6.137 191 1HB GLN 58 2HB GLN 58 10.163 3.713 6.576 192 2HB GLN 58 3HB GLN 58 10.693 2.403 7.642 193 1HG GLN 58 2HG GLN 58 12.854 3.586 8.028 194 2HG GLN 58 3HG GLN 58 12.259 4.940 7.052 195 1HE2 GLN 58 1HE2 GLN 58 10.167 5.949 7.787 196 2HE2 GLN 58 2HE2 GLN 58 9.735 5.861 9.504 197 H ARG 59 H ARG 59 11.322 0.172 6.778 198 HA ARG 59 HA ARG 59 9.429 -0.677 4.642 199 1HB ARG 59 2HB ARG 59 10.997 -2.345 6.646 200 2HB ARG 59 3HB ARG 59 9.691 -2.925 5.603 201 1HG ARG 59 2HG ARG 59 11.179 -1.812 3.678 202 2HG ARG 59 3HG ARG 59 12.483 -2.066 4.850 203 1HD ARG 59 2HD ARG 59 11.856 -4.480 4.979 204 2HD ARG 59 3HD ARG 59 10.480 -4.162 3.891 205 HE ARG 59 HE ARG 59 13.073 -3.396 2.806 206 1HH1 ARG 59 2HH2 ARG 59 10.642 -6.016 3.015 207 2HH1 ARG 59 1HH2 ARG 59 11.355 -6.945 1.747 208 1HH2 ARG 59 1HH1 ARG 59 13.917 -4.577 1.031 209 2HH2 ARG 59 2HH1 ARG 59 13.208 -6.081 0.546 210 H ILE 60 H ILE 60 7.370 -1.010 5.105 211 HA ILE 60 HA ILE 60 6.492 -1.503 7.822 212 HB ILE 60 HB ILE 60 4.706 0.118 7.838 213 1HG1 ILE 60 2HG1 ILE 60 5.872 1.408 5.340 214 2HG1 ILE 60 3HG1 ILE 60 4.456 0.354 5.328 215 1HG2 ILE 60 1HG2 ILE 60 6.897 0.721 8.860 216 2HG2 ILE 60 2HG2 ILE 60 7.318 1.620 7.384 217 3HG2 ILE 60 3HG2 ILE 60 5.942 2.120 8.384 218 1HD1 ILE 60 1HD1 ILE 60 3.661 2.602 5.364 219 2HD1 ILE 60 2HD1 ILE 60 3.294 1.858 6.926 220 3HD1 ILE 60 3HD1 ILE 60 4.641 3.013 6.778 221 H ARG 61 H ARG 61 3.989 -2.003 7.610 222 HA ARG 61 HA ARG 61 3.406 -3.085 4.915 223 1HB ARG 61 2HB ARG 61 2.225 -4.420 7.315 224 2HB ARG 61 3HB ARG 61 2.577 -5.070 5.721 225 1HG ARG 61 2HG ARG 61 5.059 -4.914 6.366 226 2HG ARG 61 3HG ARG 61 4.532 -4.470 7.988 227 1HD ARG 61 2HD ARG 61 3.183 -6.533 8.117 228 2HD ARG 61 3HD ARG 61 3.915 -7.111 6.602 229 HE ARG 61 HE ARG 61 5.979 -6.354 8.449 230 1HH1 ARG 61 2HH2 ARG 61 3.627 -8.903 7.979 231 2HH1 ARG 61 1HH2 ARG 61 4.367 -10.014 9.105 232 1HH2 ARG 61 1HH1 ARG 61 6.926 -7.658 9.911 233 2HH2 ARG 61 2HH1 ARG 61 6.288 -9.229 10.362 234 H VAL 62 H VAL 62 1.594 -2.211 4.057 235 HA VAL 62 HA VAL 62 -0.129 -0.555 5.846 236 HB VAL 62 HB VAL 62 -1.082 0.403 3.890 237 1HG1 VAL 62 1HG1 VAL 62 1.957 0.374 3.620 238 2HG1 VAL 62 2HG1 VAL 62 0.832 1.657 3.140 239 3HG1 VAL 62 3HG1 VAL 62 1.063 1.278 4.859 240 1HG2 VAL 62 1HG2 VAL 62 -0.185 0.014 1.633 241 2HG2 VAL 62 2HG2 VAL 62 0.782 -1.343 2.229 242 3HG2 VAL 62 3HG2 VAL 62 -1.002 -1.426 2.243 243 H GLY 63 H GLY 63 -2.094 -1.354 6.516 244 1HA GLY 63 1HA GLY 63 -3.241 -3.719 5.058 245 2HA GLY 63 2HA GLY 63 -3.125 -3.640 6.818 246 H GLY 64 H GLY 64 -5.339 -3.430 4.440 247 1HA GLY 64 1HA GLY 64 -7.240 -1.834 5.832 248 2HA GLY 64 2HA GLY 64 -6.474 -0.856 4.559 249 H MET 65 H MET 65 -8.770 -0.900 3.734 250 HA MET 65 HA MET 65 -9.559 -3.512 2.547 251 1HB MET 65 2HB MET 65 -11.822 -2.701 2.448 252 2HB MET 65 3HB MET 65 -11.152 -2.688 4.072 253 1HG MET 65 2HG MET 65 -10.606 -0.118 3.353 254 2HG MET 65 3HG MET 65 -11.977 -0.406 2.302 255 1HE MET 65 1HE MET 65 -11.931 -0.430 6.923 256 2HE MET 65 2HE MET 65 -11.640 -1.963 6.081 257 3HE MET 65 3HE MET 65 -10.526 -0.605 5.847 258 H VAL 66 H VAL 66 -9.376 -3.860 0.493 259 HA VAL 66 HA VAL 66 -8.373 -1.856 -1.304 260 HB VAL 66 HB VAL 66 -9.448 -4.676 -1.830 261 1HG1 VAL 66 1HG1 VAL 66 -8.063 -4.466 -3.875 262 2HG1 VAL 66 2HG1 VAL 66 -9.405 -3.327 -3.881 263 3HG1 VAL 66 3HG1 VAL 66 -7.792 -2.737 -3.473 264 1HG2 VAL 66 1HG2 VAL 66 -6.640 -3.636 -1.271 265 2HG2 VAL 66 2HG2 VAL 66 -7.563 -4.780 -0.279 266 3HG2 VAL 66 3HG2 VAL 66 -7.032 -5.255 -1.900 267 H THR 67 H THR 67 -9.808 -0.202 -1.801 268 HA THR 67 HA THR 67 -12.444 -0.108 -2.432 269 HB THR 67 HB THR 67 -10.095 1.073 -3.941 270 HG1 THR 67 1HG THR 67 -11.014 1.762 -1.373 271 1HG2 THR 67 1HG2 THR 67 -12.239 1.803 -4.856 272 2HG2 THR 67 2HG2 THR 67 -12.821 2.252 -3.231 273 3HG2 THR 67 3HG2 THR 67 -11.479 3.142 -3.990 274 H VAL 68 H VAL 68 -13.650 -0.791 -4.067 275 HA VAL 68 HA VAL 68 -12.935 -2.810 -5.871 276 HB VAL 68 HB VAL 68 -15.185 -2.449 -5.208 277 1HG1 VAL 68 1HG1 VAL 68 -15.232 0.093 -5.208 278 2HG1 VAL 68 2HG1 VAL 68 -15.454 0.011 -6.973 279 3HG1 VAL 68 3HG1 VAL 68 -16.642 -0.717 -5.896 280 1HG2 VAL 68 1HG2 VAL 68 -14.766 -3.626 -7.329 281 2HG2 VAL 68 2HG2 VAL 68 -16.323 -2.775 -7.339 282 3HG2 VAL 68 3HG2 VAL 68 -14.941 -2.099 -8.222 283 H GLY 69 H GLY 69 -13.513 0.630 -6.775 284 1HA GLY 69 1HA GLY 69 -12.354 0.199 -9.442 285 2HA GLY 69 2HA GLY 69 -13.103 1.670 -8.798 286 H SER 70 H SER 70 -10.245 -0.407 -8.252 287 HA SER 70 HA SER 70 -8.539 2.050 -8.147 288 1HB SER 70 2HB SER 70 -9.046 0.178 -5.843 289 2HB SER 70 3HB SER 70 -7.579 1.136 -5.936 290 HG SER 70 HG SER 70 -9.879 2.566 -6.509 291 H MET 71 H MET 71 -8.492 -1.554 -8.423 292 HA MET 71 HA MET 71 -5.603 -1.511 -8.500 293 1HB MET 71 2HB MET 71 -7.261 -3.422 -7.819 294 2HB MET 71 3HB MET 71 -7.223 -3.842 -9.529 295 1HG MET 71 2HG MET 71 -4.923 -3.621 -7.550 296 2HG MET 71 3HG MET 71 -5.525 -5.069 -8.383 297 1HE MET 71 1HE MET 71 -3.954 -5.072 -11.720 298 2HE MET 71 2HE MET 71 -4.881 -5.926 -10.468 299 3HE MET 71 3HE MET 71 -5.577 -4.489 -11.252 300 H VAL 72 H VAL 72 -4.641 -0.398 -10.163 301 HA VAL 72 HA VAL 72 -5.701 -0.852 -12.926 302 HB VAL 72 HB VAL 72 -4.936 1.313 -13.570 303 1HG1 VAL 72 1HG1 VAL 72 -6.789 1.473 -11.156 304 2HG1 VAL 72 2HG1 VAL 72 -6.694 2.615 -12.505 305 3HG1 VAL 72 3HG1 VAL 72 -7.268 0.964 -12.788 306 1HG2 VAL 72 1HG2 VAL 72 -4.384 3.040 -11.847 307 2HG2 VAL 72 2HG2 VAL 72 -4.218 1.746 -10.642 308 3HG2 VAL 72 3HG2 VAL 72 -3.142 1.806 -12.069 309 H ARG 73 H ARG 73 -4.407 -1.713 -14.292 310 HA ARG 73 HA ARG 73 -1.630 -2.347 -13.499 311 1HB ARG 73 2HB ARG 73 -1.944 -4.417 -14.825 312 2HB ARG 73 3HB ARG 73 -3.117 -4.265 -13.527 313 1HG ARG 73 2HG ARG 73 -4.450 -3.113 -15.759 314 2HG ARG 73 3HG ARG 73 -3.507 -4.428 -16.427 315 1HD ARG 73 2HD ARG 73 -5.624 -5.323 -15.910 316 2HD ARG 73 3HD ARG 73 -4.519 -5.956 -14.672 317 HE ARG 73 HE ARG 73 -5.707 -3.569 -13.667 318 1HH1 ARG 73 2HH2 ARG 73 -6.664 -6.850 -14.511 319 2HH1 ARG 73 1HH2 ARG 73 -8.015 -6.908 -13.413 320 1HH2 ARG 73 1HH1 ARG 73 -7.511 -3.604 -12.188 321 2HH2 ARG 73 2HH1 ARG 73 -8.477 -5.039 -12.035 322 H ASP 74 H ASP 74 0.083 -2.106 -15.064 323 HA ASP 74 HA ASP 74 -0.454 -0.173 -17.144 324 1HB ASP 74 2HB ASP 74 1.928 -1.824 -16.225 325 2HB ASP 74 3HB ASP 74 1.956 -1.072 -17.812 326 HA PRO 75 HA PRO 75 -1.011 -3.197 -20.497 327 1HB PRO 75 2HB PRO 75 0.008 -1.815 -22.652 328 2HB PRO 75 3HB PRO 75 -1.548 -1.354 -21.899 329 1HG PRO 75 2HG PRO 75 1.181 -0.141 -21.374 330 2HG PRO 75 3HG PRO 75 -0.345 0.715 -21.728 331 1HD PRO 75 2HD PRO 75 0.560 0.363 -19.182 332 2HD PRO 75 3HD PRO 75 -1.186 0.295 -19.550 333 H ASN 76 H ASN 76 2.038 -1.700 -19.691 334 HA ASN 76 HA ASN 76 3.872 -3.543 -20.720 335 1HB ASN 76 2HB ASN 76 3.811 -2.377 -17.889 336 2HB ASN 76 3HB ASN 76 5.187 -3.118 -18.702 337 1HD2 ASN 76 1HD2 ASN 76 3.958 -0.013 -17.963 338 2HD2 ASN 76 2HD2 ASN 76 4.759 0.770 -19.293 339 H SER 77 H SER 77 1.361 -4.024 -18.233 340 HA SER 77 HA SER 77 0.540 -5.804 -17.230 341 1HB SER 77 2HB SER 77 2.058 -7.463 -19.288 342 2HB SER 77 3HB SER 77 0.713 -7.994 -18.282 343 HG SER 77 HG SER 77 0.615 -5.835 -20.158 344 H LEU 78 H LEU 78 3.324 -4.792 -16.607 345 HA LEU 78 HA LEU 78 4.077 -6.893 -14.645 346 1HB LEU 78 2HB LEU 78 6.391 -6.077 -14.760 347 2HB LEU 78 3HB LEU 78 5.785 -7.050 -16.085 348 HG LEU 78 HG LEU 78 5.252 -4.310 -16.803 349 1HD1 LEU 78 1HD1 LEU 78 7.408 -3.279 -16.720 350 2HD1 LEU 78 2HD1 LEU 78 6.839 -3.688 -15.083 351 3HD1 LEU 78 3HD1 LEU 78 8.092 -4.685 -15.857 352 1HD2 LEU 78 1HD2 LEU 78 5.695 -6.333 -18.198 353 2HD2 LEU 78 2HD2 LEU 78 6.597 -4.896 -18.714 354 3HD2 LEU 78 3HD2 LEU 78 7.416 -6.191 -17.796 355 H HIS 79 H HID 79 3.640 -3.355 -15.268 356 HA HIS 79 HA HID 79 4.250 -2.813 -12.409 357 1HB HIS 79 2HB HID 79 3.668 -1.035 -14.786 358 2HB HIS 79 3HB HID 79 3.737 -0.450 -13.124 359 HD1 HIS 79 1HD HID 79 6.270 -1.025 -11.887 360 HD2 HIS 79 2HD HID 79 5.908 -0.846 -16.079 361 HE1 HIS 79 1HE HID 79 8.616 -0.652 -12.806 362 H VAL 80 H VAL 80 2.580 -2.514 -10.981 363 HA VAL 80 HA VAL 80 -0.133 -2.035 -12.002 364 HB VAL 80 HB VAL 80 -1.033 -3.858 -10.561 365 1HG1 VAL 80 1HG1 VAL 80 -0.694 -5.684 -12.030 366 2HG1 VAL 80 2HG1 VAL 80 -0.595 -4.226 -13.027 367 3HG1 VAL 80 3HG1 VAL 80 0.886 -5.075 -12.557 368 1HG2 VAL 80 1HG2 VAL 80 1.896 -4.502 -10.093 369 2HG2 VAL 80 2HG2 VAL 80 0.512 -4.488 -8.965 370 3HG2 VAL 80 3HG2 VAL 80 0.709 -5.783 -10.163 371 H GLN 81 H GLN 81 -1.466 -0.956 -10.440 372 HA GLN 81 HA GLN 81 -0.217 -0.471 -7.806 373 1HB GLN 81 2HB GLN 81 -0.467 2.012 -8.105 374 2HB GLN 81 3HB GLN 81 0.871 1.291 -9.015 375 1HG GLN 81 2HG GLN 81 -0.169 1.528 -11.077 376 2HG GLN 81 3HG GLN 81 -1.783 1.567 -10.363 377 1HE2 GLN 81 1HE2 GLN 81 -2.750 3.527 -10.000 378 2HE2 GLN 81 2HE2 GLN 81 -1.902 5.057 -10.113 379 H PHE 82 H PHE 82 -1.614 0.620 -6.332 380 HA PHE 82 HA PHE 82 -4.492 0.532 -7.037 381 1HB PHE 82 2HB PHE 82 -4.947 -1.025 -5.174 382 2HB PHE 82 3HB PHE 82 -4.104 -1.742 -6.535 383 HD1 PHE 82 1HD PHE 82 -3.726 -0.627 -3.007 384 HD2 PHE 82 2HD PHE 82 -1.900 -2.724 -6.306 385 HE1 PHE 82 1HE PHE 82 -2.380 -1.969 -1.417 386 HE2 PHE 82 2HE PHE 82 -0.481 -3.979 -4.719 387 HZ PHE 82 HZ PHE 82 -0.850 -3.732 -2.264 388 H ALA 83 H ALA 83 -5.732 1.827 -5.737 389 HA ALA 83 HA ALA 83 -4.466 3.307 -3.515 390 1HB ALA 83 1HB ALA 83 -5.999 4.539 -5.028 391 2HB ALA 83 2HB ALA 83 -7.309 3.426 -4.577 392 3HB ALA 83 3HB ALA 83 -6.585 4.486 -3.355 393 H VAL 84 H VAL 84 -5.119 2.990 -1.368 394 HA VAL 84 HA VAL 84 -7.230 1.052 -0.783 395 HB VAL 84 HB VAL 84 -5.177 -0.348 -0.971 396 1HG1 VAL 84 1HG1 VAL 84 -3.527 1.343 -0.191 397 2HG1 VAL 84 2HG1 VAL 84 -4.171 1.168 1.459 398 3HG1 VAL 84 3HG1 VAL 84 -3.407 -0.216 0.651 399 1HG2 VAL 84 1HG2 VAL 84 -6.304 -0.189 1.853 400 2HG2 VAL 84 2HG2 VAL 84 -6.954 -1.109 0.476 401 3HG2 VAL 84 3HG2 VAL 84 -5.388 -1.539 1.162 402 H HIS 85 H HID 85 -8.035 1.318 1.376 403 HA HIS 85 HA HID 85 -7.104 3.634 2.906 404 1HB HIS 85 2HB HID 85 -9.360 4.721 2.810 405 2HB HIS 85 3HB HID 85 -8.359 4.784 1.388 406 HD1 HIS 85 1HD HID 85 -10.603 5.329 -0.155 407 HD2 HIS 85 2HD HID 85 -10.232 1.541 1.625 408 HE1 HIS 85 1HE HID 85 -12.515 3.958 -1.016 409 H ASP 86 H ASP 86 -8.806 4.005 4.731 410 HA ASP 86 HA ASP 86 -9.930 1.545 5.803 411 1HB ASP 86 2HB ASP 86 -7.578 1.194 6.276 412 2HB ASP 86 3HB ASP 86 -7.442 2.743 7.119 413 H SER 87 H SER 87 -8.637 4.203 7.806 414 HA SER 87 HA SER 87 -11.395 4.951 8.515 415 1HB SER 87 2HB SER 87 -9.484 4.907 10.126 416 2HB SER 87 3HB SER 87 -8.838 6.356 9.328 417 HG SER 87 HG SER 87 -10.285 6.728 11.158 418 H LEU 88 H LEU 88 -11.995 5.293 6.465 419 HA LEU 88 HA LEU 88 -11.338 6.412 4.283 420 1HB LEU 88 2HB LEU 88 -13.864 5.918 5.669 421 2HB LEU 88 3HB LEU 88 -14.086 7.212 4.529 422 HG LEU 88 HG LEU 88 -14.650 5.070 3.614 423 1HD1 LEU 88 1HD1 LEU 88 -13.515 5.217 1.481 424 2HD1 LEU 88 2HD1 LEU 88 -13.881 6.835 2.095 425 3HD1 LEU 88 3HD1 LEU 88 -12.221 6.208 2.180 426 1HD2 LEU 88 1HD2 LEU 88 -12.977 3.358 3.035 427 2HD2 LEU 88 2HD2 LEU 88 -11.736 4.243 3.933 428 3HD2 LEU 88 3HD2 LEU 88 -13.154 3.579 4.779 429 H GLY 89 H GLY 89 -10.649 8.620 6.409 430 1HA GLY 89 1HA GLY 89 -11.111 10.846 4.453 431 2HA GLY 89 2HA GLY 89 -10.652 11.044 6.147 432 H GLY 90 H GLY 90 -9.221 8.323 4.362 433 1HA GLY 90 1HA GLY 90 -6.853 9.852 3.539 434 2HA GLY 90 2HA GLY 90 -6.662 8.795 4.943 435 H GLU 91 H GLU 91 -6.712 8.979 1.542 436 HA GLU 91 HA GLU 91 -6.634 6.024 1.200 437 1HB GLU 91 2HB GLU 91 -7.434 8.311 -0.599 438 2HB GLU 91 3HB GLU 91 -6.436 7.055 -1.343 439 1HG GLU 91 2HG GLU 91 -7.951 5.310 -0.652 440 2HG GLU 91 3HG GLU 91 -8.940 6.513 0.253 441 H ILE 92 H ILE 92 -4.765 5.062 0.688 442 HA ILE 92 HA ILE 92 -2.482 6.819 -0.028 443 HB ILE 92 HB ILE 92 -2.626 4.861 2.122 444 1HG1 ILE 92 2HG1 ILE 92 -1.630 6.921 2.600 445 2HG1 ILE 92 3HG1 ILE 92 -0.348 5.714 2.626 446 1HG2 ILE 92 1HG2 ILE 92 -1.813 3.198 0.538 447 2HG2 ILE 92 2HG2 ILE 92 -0.444 4.249 0.093 448 3HG2 ILE 92 3HG2 ILE 92 -0.585 3.596 1.730 449 1HD1 ILE 92 1HD1 ILE 92 0.617 7.569 1.631 450 2HD1 ILE 92 2HD1 ILE 92 0.271 6.494 0.262 451 3HD1 ILE 92 3HD1 ILE 92 -0.762 7.911 0.602 452 H LEU 93 H LEU 93 -1.244 6.153 -1.704 453 HA LEU 93 HA LEU 93 -2.493 4.106 -3.454 454 1HB LEU 93 2HB LEU 93 -1.007 6.697 -3.930 455 2HB LEU 93 3HB LEU 93 -0.845 5.426 -5.144 456 HG LEU 93 HG LEU 93 -3.610 6.221 -4.204 457 1HD1 LEU 93 1HD1 LEU 93 -2.492 8.339 -4.867 458 2HD1 LEU 93 2HD1 LEU 93 -2.048 7.603 -6.430 459 3HD1 LEU 93 3HD1 LEU 93 -3.752 7.860 -6.015 460 1HD2 LEU 93 1HD2 LEU 93 -4.192 5.446 -6.483 461 2HD2 LEU 93 2HD2 LEU 93 -2.474 5.219 -6.865 462 3HD2 LEU 93 3HD2 LEU 93 -3.254 4.191 -5.651 463 H VAL 94 H VAL 94 -1.426 2.280 -3.622 464 HA VAL 94 HA VAL 94 1.411 2.063 -2.766 465 HB VAL 94 HB VAL 94 -0.741 -0.028 -3.147 466 1HG1 VAL 94 1HG1 VAL 94 0.755 -1.481 -1.838 467 2HG1 VAL 94 2HG1 VAL 94 1.524 -0.970 -3.346 468 3HG1 VAL 94 3HG1 VAL 94 1.987 -0.198 -1.810 469 1HG2 VAL 94 1HG2 VAL 94 -1.386 1.420 -1.268 470 2HG2 VAL 94 2HG2 VAL 94 -0.835 -0.141 -0.660 471 3HG2 VAL 94 3HG2 VAL 94 0.239 1.269 -0.568 472 H THR 95 H THR 95 2.907 1.386 -4.276 473 HA THR 95 HA THR 95 1.958 0.801 -7.050 474 HB THR 95 HB THR 95 4.324 1.652 -7.598 475 HG1 THR 95 1HG THR 95 4.897 1.466 -5.252 476 1HG2 THR 95 1HG2 THR 95 2.307 3.084 -7.929 477 2HG2 THR 95 2HG2 THR 95 2.433 3.639 -6.244 478 3HG2 THR 95 3HG2 THR 95 3.713 4.033 -7.408 479 H TYR 96 H TYR 96 2.770 -1.072 -8.040 480 HA TYR 96 HA TYR 96 4.639 -2.796 -6.486 481 1HB TYR 96 2HB TYR 96 2.107 -3.165 -6.158 482 2HB TYR 96 3HB TYR 96 2.065 -3.626 -7.833 483 HD1 TYR 96 HD1 TYR 96 1.888 -4.963 -4.726 484 HD2 TYR 96 HD2 TYR 96 4.162 -5.470 -8.336 485 HE1 TYR 96 HE1 TYR 96 2.280 -7.338 -4.174 486 HE2 TYR 96 HE2 TYR 96 4.413 -7.885 -7.845 487 HH TYR 96 HH TYR 96 3.898 -9.101 -4.702 488 H ASP 97 H ASP 97 6.396 -3.094 -7.879 489 HA ASP 97 HA ASP 97 5.979 -2.739 -10.767 490 1HB ASP 97 2HB ASP 97 8.421 -2.321 -10.709 491 2HB ASP 97 3HB ASP 97 7.506 -1.227 -9.662 492 H ASP 98 H ASP 98 4.975 -5.134 -10.099 493 HA ASP 98 HA ASP 98 6.276 -6.811 -11.861 494 1HB ASP 98 2HB ASP 98 7.741 -7.204 -9.716 495 2HB ASP 98 3HB ASP 98 6.344 -8.076 -9.089 496 H LEU 99 H LEU 99 4.992 -9.114 -11.620 497 HA LEU 99 HA LEU 99 2.176 -8.343 -11.706 498 1HB LEU 99 2HB LEU 99 3.530 -11.053 -12.011 499 2HB LEU 99 3HB LEU 99 1.786 -10.795 -12.041 500 HG LEU 99 HG LEU 99 2.383 -8.948 -13.873 501 1HD1 LEU 99 1HD1 LEU 99 4.193 -9.730 -15.364 502 2HD1 LEU 99 2HD1 LEU 99 4.846 -9.267 -13.788 503 3HD1 LEU 99 3HD1 LEU 99 4.636 -10.984 -14.188 504 1HD2 LEU 99 1HD2 LEU 99 0.869 -10.836 -14.199 505 2HD2 LEU 99 2HD2 LEU 99 1.933 -10.643 -15.600 506 3HD2 LEU 99 3HD2 LEU 99 2.248 -11.936 -14.419 507 H LEU 100 H LEU 100 0.607 -8.651 -10.285 508 HA LEU 100 HA LEU 100 1.167 -9.209 -7.514 509 1HB LEU 100 2HB LEU 100 -1.315 -8.750 -9.218 510 2HB LEU 100 3HB LEU 100 -1.484 -9.077 -7.502 511 HG LEU 100 HG LEU 100 0.434 -6.919 -8.379 512 1HD1 LEU 100 1HD1 LEU 100 -2.592 -6.704 -8.288 513 2HD1 LEU 100 2HD1 LEU 100 -1.533 -5.292 -8.150 514 3HD1 LEU 100 3HD1 LEU 100 -1.531 -6.293 -9.619 515 1HD2 LEU 100 1HD2 LEU 100 -0.145 -5.932 -6.236 516 2HD2 LEU 100 2HD2 LEU 100 -1.262 -7.257 -5.892 517 3HD2 LEU 100 3HD2 LEU 100 0.441 -7.600 -6.073 518 HA PRO 101 HA PRO 101 0.319 -13.584 -7.434 519 1HB PRO 101 2HB PRO 101 -0.876 -13.985 -5.002 520 2HB PRO 101 3HB PRO 101 0.806 -13.459 -5.185 521 1HG PRO 101 2HG PRO 101 -1.577 -11.629 -4.679 522 2HG PRO 101 3HG PRO 101 -0.053 -11.710 -3.771 523 1HD PRO 101 2HD PRO 101 -0.405 -9.921 -5.756 524 2HD PRO 101 3HD PRO 101 1.170 -10.738 -5.571 525 H ASP 102 H ASP 102 -2.656 -13.182 -5.612 526 HA ASP 102 HA ASP 102 -4.251 -14.341 -7.653 527 1HB ASP 102 2HB ASP 102 -5.125 -12.925 -5.099 528 2HB ASP 102 3HB ASP 102 -5.975 -14.213 -5.966 529 H LEU 103 H LEU 103 -3.321 -12.252 -8.994 530 HA LEU 103 HA LEU 103 -3.475 -10.316 -9.978 531 1HB LEU 103 2HB LEU 103 -5.289 -9.930 -11.278 532 2HB LEU 103 3HB LEU 103 -5.465 -11.626 -10.872 533 HG LEU 103 HG LEU 103 -6.964 -10.255 -8.869 534 1HD1 LEU 103 1HD1 LEU 103 -7.613 -9.070 -11.589 535 2HD1 LEU 103 2HD1 LEU 103 -8.397 -8.730 -10.030 536 3HD1 LEU 103 3HD1 LEU 103 -6.740 -8.190 -10.322 537 1HD2 LEU 103 1HD2 LEU 103 -8.911 -11.187 -10.080 538 2HD2 LEU 103 2HD2 LEU 103 -7.871 -11.551 -11.471 539 3HD2 LEU 103 3HD2 LEU 103 -7.601 -12.374 -9.916 540 H PHE 104 H PHE 104 -4.426 -10.327 -6.837 541 HA PHE 104 HA PHE 104 -4.830 -8.839 -5.223 542 1HB PHE 104 2HB PHE 104 -3.273 -7.273 -6.257 543 2HB PHE 104 3HB PHE 104 -4.552 -6.625 -7.262 544 HD1 PHE 104 1HD PHE 104 -6.396 -5.279 -6.315 545 HD2 PHE 104 2HD PHE 104 -3.089 -6.651 -3.904 546 HE1 PHE 104 1HE PHE 104 -6.366 -3.138 -5.106 547 HE2 PHE 104 2HE PHE 104 -3.395 -4.684 -2.440 548 HZ PHE 104 HZ PHE 104 -5.074 -2.955 -2.981 549 H ARG 105 H ARG 105 -6.851 -9.765 -5.030 550 HA ARG 105 HA ARG 105 -8.980 -8.955 -6.814 551 1HB ARG 105 2HB ARG 105 -8.718 -10.807 -4.466 552 2HB ARG 105 3HB ARG 105 -10.327 -10.238 -4.866 553 1HG ARG 105 2HG ARG 105 -8.413 -11.476 -6.896 554 2HG ARG 105 3HG ARG 105 -9.590 -12.412 -5.979 555 1HD ARG 105 2HD ARG 105 -10.273 -10.192 -7.993 556 2HD ARG 105 3HD ARG 105 -10.388 -11.923 -8.226 557 HE ARG 105 HE ARG 105 -12.165 -12.112 -6.716 558 1HH1 ARG 105 2HH2 ARG 105 -11.579 -8.598 -7.469 559 2HH1 ARG 105 1HH2 ARG 105 -12.567 -8.118 -6.127 560 1HH2 ARG 105 1HH1 ARG 105 -13.768 -11.314 -5.283 561 2HH2 ARG 105 2HH1 ARG 105 -14.035 -9.602 -5.149 562 H GLU 106 H GLU 106 -10.260 -7.383 -6.670 563 HA GLU 106 HA GLU 106 -9.978 -5.308 -4.749 564 1HB GLU 106 2HB GLU 106 -12.001 -5.443 -7.022 565 2HB GLU 106 3HB GLU 106 -11.131 -4.054 -6.357 566 1HG GLU 106 2HG GLU 106 -10.015 -4.302 -8.318 567 2HG GLU 106 3HG GLU 106 -8.979 -5.297 -7.300 568 H GLY 107 H GLY 107 -11.619 -4.483 -3.292 569 1HA GLY 107 1HA GLY 107 -13.580 -4.447 -2.132 570 2HA GLY 107 2HA GLY 107 -14.276 -5.645 -3.225 571 H GLN 108 H GLN 108 -11.334 -5.782 -1.070 572 HA GLN 108 HA GLN 108 -12.655 -7.341 0.945 573 1HB GLN 108 2HB GLN 108 -10.895 -9.145 0.793 574 2HB GLN 108 3HB GLN 108 -12.125 -9.243 -0.471 575 1HG GLN 108 2HG GLN 108 -10.699 -8.561 -2.156 576 2HG GLN 108 3HG GLN 108 -9.635 -7.644 -1.083 577 1HE2 GLN 108 1HE2 GLN 108 -8.221 -8.888 -2.716 578 2HE2 GLN 108 2HE2 GLN 108 -7.537 -10.384 -2.047 579 H GLY 109 H GLY 109 -10.728 -7.860 2.590 580 1HA GLY 109 1HA GLY 109 -8.943 -5.487 2.747 581 2HA GLY 109 2HA GLY 109 -9.208 -6.668 4.011 582 H ILE 110 H ILE 110 -6.726 -5.650 2.620 583 HA ILE 110 HA ILE 110 -5.475 -8.307 2.476 584 HB ILE 110 HB ILE 110 -4.167 -7.961 0.551 585 1HG1 ILE 110 2HG1 ILE 110 -5.090 -5.709 -0.823 586 2HG1 ILE 110 3HG1 ILE 110 -4.805 -5.130 0.816 587 1HG2 ILE 110 1HG2 ILE 110 -5.736 -7.987 -1.276 588 2HG2 ILE 110 2HG2 ILE 110 -6.405 -8.876 0.099 589 3HG2 ILE 110 3HG2 ILE 110 -6.998 -7.246 -0.277 590 1HD1 ILE 110 1HD1 ILE 110 -2.894 -6.632 -1.039 591 2HD1 ILE 110 2HD1 ILE 110 -2.749 -4.958 -0.409 592 3HD1 ILE 110 3HD1 ILE 110 -2.529 -6.337 0.670 593 H VAL 111 H VAL 111 -3.019 -8.019 2.726 594 HA VAL 111 HA VAL 111 -2.346 -5.389 3.941 595 HB VAL 111 HB VAL 111 -1.046 -6.426 5.661 596 1HG1 VAL 111 1HG1 VAL 111 -3.857 -7.607 5.738 597 2HG1 VAL 111 2HG1 VAL 111 -2.815 -7.219 7.118 598 3HG1 VAL 111 3HG1 VAL 111 -3.460 -5.919 6.105 599 1HG2 VAL 111 1HG2 VAL 111 -1.258 -8.872 6.170 600 2HG2 VAL 111 2HG2 VAL 111 -2.126 -9.097 4.646 601 3HG2 VAL 111 3HG2 VAL 111 -0.428 -8.571 4.637 602 H ALA 112 H ALA 112 -0.435 -4.553 3.280 603 HA ALA 112 HA ALA 112 1.090 -6.104 1.223 604 1HB ALA 112 1HB ALA 112 -0.607 -4.550 0.262 605 2HB ALA 112 2HB ALA 112 0.198 -3.208 1.071 606 3HB ALA 112 3HB ALA 112 1.063 -4.132 -0.169 607 H GLN 113 H GLN 113 3.192 -6.229 1.673 608 HA GLN 113 HA GLN 113 4.450 -4.180 3.432 609 1HB GLN 113 2HB GLN 113 4.205 -6.307 4.486 610 2HB GLN 113 3HB GLN 113 4.889 -7.169 3.139 611 1HG GLN 113 2HG GLN 113 6.658 -5.072 4.430 612 2HG GLN 113 3HG GLN 113 6.251 -6.486 5.399 613 1HE2 GLN 113 1HE2 GLN 113 6.286 -8.641 4.090 614 2HE2 GLN 113 2HE2 GLN 113 7.811 -8.913 3.278 615 H GLY 114 H GLY 114 6.429 -3.358 2.955 616 1HA GLY 114 1HA GLY 114 8.353 -4.370 1.327 617 2HA GLY 114 2HA GLY 114 7.430 -3.372 0.209 618 H VAL 115 H VAL 115 8.152 -1.230 0.146 619 HA VAL 115 HA VAL 115 9.354 -0.089 2.587 620 HB VAL 115 HB VAL 115 11.130 -1.234 1.268 621 1HG1 VAL 115 1HG1 VAL 115 10.168 -0.893 -1.011 622 2HG1 VAL 115 2HG1 VAL 115 10.572 0.836 -0.895 623 3HG1 VAL 115 3HG1 VAL 115 11.857 -0.382 -0.890 624 1HG2 VAL 115 1HG2 VAL 115 12.749 0.606 1.134 625 2HG2 VAL 115 2HG2 VAL 115 11.451 1.772 1.422 626 3HG2 VAL 115 3HG2 VAL 115 11.864 0.556 2.654 627 H LEU 116 H LEU 116 9.423 2.183 2.620 628 HA LEU 116 HA LEU 116 7.383 3.596 1.135 629 1HB LEU 116 2HB LEU 116 9.779 4.366 2.835 630 2HB LEU 116 3HB LEU 116 8.899 5.604 1.940 631 HG LEU 116 HG LEU 116 8.225 5.427 4.307 632 1HD1 LEU 116 1HD1 LEU 116 6.742 6.380 2.672 633 2HD1 LEU 116 2HD1 LEU 116 6.041 4.804 2.282 634 3HD1 LEU 116 3HD1 LEU 116 5.815 5.481 3.899 635 1HD2 LEU 116 1HD2 LEU 116 6.977 2.742 3.582 636 2HD2 LEU 116 2HD2 LEU 116 8.325 3.014 4.720 637 3HD2 LEU 116 3HD2 LEU 116 6.726 3.660 5.073 638 H GLY 117 H GLY 117 7.501 4.657 -0.868 639 1HA GLY 117 1HA GLY 117 9.770 3.750 -2.536 640 2HA GLY 117 2HA GLY 117 8.229 4.433 -3.059 641 H GLU 118 H GLU 118 8.140 6.540 -3.556 642 HA GLU 118 HA GLU 118 10.410 8.292 -3.677 643 1HB GLU 118 2HB GLU 118 8.486 8.476 -5.187 644 2HB GLU 118 3HB GLU 118 7.375 8.642 -3.831 645 1HG GLU 118 2HG GLU 118 8.442 10.875 -3.304 646 2HG GLU 118 3HG GLU 118 9.413 10.686 -4.773 647 H ASP 119 H ASP 119 7.455 8.546 -1.779 648 HA ASP 119 HA ASP 119 8.572 8.725 0.796 649 1HB ASP 119 2HB ASP 119 9.397 10.958 0.105 650 2HB ASP 119 3HB ASP 119 7.787 11.430 -0.436 651 H GLY 120 H GLY 120 6.023 10.494 -0.965 652 1HA GLY 120 1HA GLY 120 3.853 9.786 0.702 653 2HA GLY 120 2HA GLY 120 3.732 10.338 -0.974 654 H LYS 121 H LYS 121 5.038 8.242 -2.325 655 HA LYS 121 HA LYS 121 2.862 6.269 -2.297 656 1HB LYS 121 2HB LYS 121 5.133 6.948 -4.169 657 2HB LYS 121 3HB LYS 121 4.379 5.356 -4.261 658 1HG LYS 121 2HG LYS 121 3.375 6.855 -5.843 659 2HG LYS 121 3HG LYS 121 2.199 6.270 -4.644 660 1HD LYS 121 2HD LYS 121 2.154 8.419 -3.519 661 2HD LYS 121 3HD LYS 121 3.613 8.963 -4.359 662 1HE LYS 121 2HE LYS 121 1.549 10.027 -5.254 663 2HE LYS 121 3HE LYS 121 2.488 9.148 -6.470 664 1HZ LYS 121 1HZ LYS 121 0.912 7.335 -6.243 665 2HZ LYS 121 2HZ LYS 121 0.047 8.187 -5.127 666 3HZ LYS 121 3HZ LYS 121 0.157 8.730 -6.675 667 H LEU 122 H LEU 122 3.021 4.090 -2.013 668 HA LEU 122 HA LEU 122 5.292 3.153 -0.308 669 1HB LEU 122 2HB LEU 122 2.335 2.489 -0.526 670 2HB LEU 122 3HB LEU 122 3.460 1.367 0.232 671 HG LEU 122 HG LEU 122 2.175 2.866 1.780 672 1HD1 LEU 122 1HD1 LEU 122 4.173 3.335 3.236 673 2HD1 LEU 122 2HD1 LEU 122 4.014 1.670 2.646 674 3HD1 LEU 122 3HD1 LEU 122 5.194 2.756 1.904 675 1HD2 LEU 122 1HD2 LEU 122 2.358 4.978 0.488 676 2HD2 LEU 122 2HD2 LEU 122 2.830 5.131 2.185 677 3HD2 LEU 122 3HD2 LEU 122 4.079 5.070 0.941 678 H ALA 123 H ALA 123 6.646 1.641 -1.213 679 HA ALA 123 HA ALA 123 5.807 0.303 -3.736 680 1HB ALA 123 1HB ALA 123 7.917 1.528 -3.835 681 2HB ALA 123 2HB ALA 123 8.537 0.637 -2.433 682 3HB ALA 123 3HB ALA 123 8.198 -0.220 -3.950 683 H ALA 124 H ALA 124 4.380 -1.200 -2.748 684 HA ALA 124 HA ALA 124 5.549 -3.039 -0.690 685 1HB ALA 124 1HB ALA 124 2.644 -2.456 -1.182 686 2HB ALA 124 2HB ALA 124 3.354 -3.466 0.082 687 3HB ALA 124 3HB ALA 124 3.634 -1.713 0.099 688 H THR 125 H THR 125 6.345 -4.769 -1.758 689 HA THR 125 HA THR 125 4.919 -5.824 -4.129 690 HB THR 125 HB THR 125 7.251 -5.254 -4.401 691 HG1 THR 125 1HG THR 125 6.396 -6.926 -5.639 692 1HG2 THR 125 1HG2 THR 125 8.127 -5.790 -2.115 693 2HG2 THR 125 2HG2 THR 125 7.872 -7.519 -2.460 694 3HG2 THR 125 3HG2 THR 125 9.030 -6.585 -3.415 695 H GLU 126 H GLU 126 5.522 -6.608 -0.737 696 HA GLU 126 HA GLU 126 4.726 -9.454 -1.125 697 1HB GLU 126 2HB GLU 126 5.694 -7.781 1.199 698 2HB GLU 126 3HB GLU 126 5.089 -9.428 1.405 699 1HG GLU 126 2HG GLU 126 7.352 -8.733 -0.527 700 2HG GLU 126 3HG GLU 126 7.639 -9.122 1.166 701 H VAL 127 H VAL 127 2.569 -8.895 -1.969 702 HA VAL 127 HA VAL 127 0.676 -7.806 0.053 703 HB VAL 127 HB VAL 127 -1.039 -7.890 -1.584 704 1HG1 VAL 127 1HG1 VAL 127 0.082 -5.847 -1.446 705 2HG1 VAL 127 2HG1 VAL 127 1.483 -6.388 -2.366 706 3HG1 VAL 127 3HG1 VAL 127 -0.086 -6.153 -3.173 707 1HG2 VAL 127 1HG2 VAL 127 -0.478 -8.281 -3.993 708 2HG2 VAL 127 2HG2 VAL 127 1.013 -9.095 -3.463 709 3HG2 VAL 127 3HG2 VAL 127 -0.587 -9.701 -2.975 710 H LEU 128 H LEU 128 -0.401 -9.054 1.382 711 HA LEU 128 HA LEU 128 -0.756 -11.956 0.761 712 1HB LEU 128 2HB LEU 128 -0.701 -10.708 3.525 713 2HB LEU 128 3HB LEU 128 -0.769 -12.406 3.071 714 HG LEU 128 HG LEU 128 1.352 -12.160 3.853 715 1HD1 LEU 128 1HD1 LEU 128 1.958 -11.625 0.937 716 2HD1 LEU 128 2HD1 LEU 128 2.902 -12.532 2.115 717 3HD1 LEU 128 3HD1 LEU 128 1.351 -13.184 1.546 718 1HD2 LEU 128 1HD2 LEU 128 2.940 -10.343 3.310 719 2HD2 LEU 128 2HD2 LEU 128 1.657 -9.495 2.438 720 3HD2 LEU 128 3HD2 LEU 128 1.498 -9.792 4.176 721 H ALA 129 H ALA 129 -2.830 -12.224 0.103 722 HA ALA 129 HA ALA 129 -5.039 -10.538 1.093 723 1HB ALA 129 1HB ALA 129 -5.116 -11.341 -1.227 724 2HB ALA 129 2HB ALA 129 -5.024 -13.026 -0.667 725 3HB ALA 129 3HB ALA 129 -6.438 -12.033 -0.263 726 H LYS 130 H LYS 130 -5.532 -10.903 3.214 727 HA LYS 130 HA LYS 130 -6.195 -13.591 4.137 728 1HB LYS 130 2HB LYS 130 -4.574 -13.635 5.952 729 2HB LYS 130 3HB LYS 130 -3.824 -13.776 4.388 730 1HG LYS 130 2HG LYS 130 -2.484 -12.070 4.715 731 2HG LYS 130 3HG LYS 130 -3.815 -10.964 4.968 732 1HD LYS 130 2HD LYS 130 -2.011 -11.089 6.738 733 2HD LYS 130 3HD LYS 130 -3.679 -11.073 7.294 734 1HE LYS 130 2HE LYS 130 -2.374 -13.767 6.860 735 2HE LYS 130 3HE LYS 130 -1.781 -12.804 8.213 736 1HZ LYS 130 1HZ LYS 130 -3.652 -14.298 8.754 737 2HZ LYS 130 2HZ LYS 130 -3.894 -12.722 9.164 738 3HZ LYS 130 3HZ LYS 130 -4.644 -13.339 7.846 739 H HIS 131 H HID 131 -7.853 -11.611 3.817 740 HA HIS 131 HA HID 131 -8.548 -10.790 6.595 741 1HB HIS 131 2HB HID 131 -7.749 -9.020 4.631 742 2HB HIS 131 3HB HID 131 -9.490 -8.947 4.431 743 HD1 HIS 131 1HD HID 131 -10.686 -7.391 6.203 744 HD2 HIS 131 2HD HID 131 -6.695 -8.414 7.070 745 HE1 HIS 131 1HE HID 131 -9.941 -5.882 8.122 746 H ASP 132 H ASP 132 -10.258 -10.498 3.438 747 HA ASP 132 HA ASP 132 -12.658 -11.664 4.577 748 1HB ASP 132 2HB ASP 132 -12.545 -9.790 2.866 749 2HB ASP 132 3HB ASP 132 -12.035 -11.007 1.671 Start of MODEL 29 1 H SER 32 H SER 32 18.409 -1.617 11.395 2 HA SER 32 HA SER 32 17.425 0.367 13.022 3 1HB SER 32 2HB SER 32 19.055 0.694 11.201 4 2HB SER 32 3HB SER 32 17.757 0.497 10.000 5 HG SER 32 HG SER 32 16.783 2.313 11.445 6 H ASN 33 H ASN 33 15.324 -1.669 11.117 7 HA ASN 33 HA ASN 33 13.072 -0.168 12.002 8 1HB ASN 33 2HB ASN 33 11.991 0.310 9.906 9 2HB ASN 33 3HB ASN 33 13.536 1.151 9.938 10 1HD2 ASN 33 1HD2 ASN 33 15.409 -0.126 8.838 11 2HD2 ASN 33 2HD2 ASN 33 14.986 -0.931 7.336 12 H LEU 34 H LEU 34 11.043 -1.367 11.513 13 HA LEU 34 HA LEU 34 11.530 -4.309 11.367 14 1HB LEU 34 2HB LEU 34 10.400 -2.541 13.533 15 2HB LEU 34 3HB LEU 34 9.665 -4.122 13.309 16 HG LEU 34 HG LEU 34 12.665 -4.076 13.425 17 1HD1 LEU 34 1HD1 LEU 34 12.646 -4.090 15.896 18 2HD1 LEU 34 2HD1 LEU 34 12.154 -2.526 15.228 19 3HD1 LEU 34 3HD1 LEU 34 10.926 -3.634 15.886 20 1HD2 LEU 34 1HD2 LEU 34 10.534 -5.862 14.698 21 2HD2 LEU 34 2HD2 LEU 34 11.312 -6.174 13.131 22 3HD2 LEU 34 3HD2 LEU 34 12.277 -6.190 14.620 23 H ASN 35 H ASN 35 9.904 -5.501 10.499 24 HA ASN 35 HA ASN 35 8.005 -4.057 8.779 25 1HB ASN 35 2HB ASN 35 8.902 -6.961 8.996 26 2HB ASN 35 3HB ASN 35 7.606 -6.417 7.928 27 1HD2 ASN 35 1HD2 ASN 35 8.548 -6.853 5.943 28 2HD2 ASN 35 2HD2 ASN 35 9.953 -5.983 5.381 29 H LEU 36 H LEU 36 6.372 -3.336 10.335 30 HA LEU 36 HA LEU 36 4.586 -5.574 11.188 31 1HB LEU 36 2HB LEU 36 3.831 -4.422 13.055 32 2HB LEU 36 3HB LEU 36 5.577 -4.565 13.178 33 HG LEU 36 HG LEU 36 4.425 -1.999 12.034 34 1HD1 LEU 36 1HD1 LEU 36 4.161 -1.139 14.366 35 2HD1 LEU 36 2HD1 LEU 36 2.986 -2.396 13.948 36 3HD1 LEU 36 3HD1 LEU 36 4.387 -2.790 14.972 37 1HD2 LEU 36 1HD2 LEU 36 6.893 -2.332 12.185 38 2HD2 LEU 36 2HD2 LEU 36 6.336 -1.013 13.220 39 3HD2 LEU 36 3HD2 LEU 36 6.742 -2.587 13.934 40 H PHE 37 H PHE 37 2.315 -4.947 11.426 41 HA PHE 37 HA PHE 37 1.408 -3.622 8.958 42 1HB PHE 37 2HB PHE 37 -0.062 -5.278 11.031 43 2HB PHE 37 3HB PHE 37 -0.773 -4.601 9.577 44 HD1 PHE 37 1HD PHE 37 0.558 -7.593 10.879 45 HD2 PHE 37 2HD PHE 37 0.348 -5.227 7.287 46 HE1 PHE 37 1HE PHE 37 1.133 -9.586 9.524 47 HE2 PHE 37 2HE PHE 37 1.112 -7.173 5.956 48 HZ PHE 37 HZ PHE 37 1.498 -9.364 7.065 49 H TYR 38 H TYR 38 0.709 -1.605 8.942 50 HA TYR 38 HA TYR 38 -0.420 -0.390 11.417 51 1HB TYR 38 2HB TYR 38 1.741 0.530 9.565 52 2HB TYR 38 3HB TYR 38 0.526 1.735 9.935 53 HD1 TYR 38 HD1 TYR 38 -0.151 2.066 12.433 54 HD2 TYR 38 HD2 TYR 38 3.576 0.350 11.100 55 HE1 TYR 38 HE1 TYR 38 0.896 2.691 14.576 56 HE2 TYR 38 HE2 TYR 38 4.645 1.053 13.228 57 HH TYR 38 HH TYR 38 2.824 2.684 15.832 58 H THR 39 H THR 39 -1.880 1.336 11.049 59 HA THR 39 HA THR 39 -3.905 0.671 9.150 60 HB THR 39 HB THR 39 -3.532 2.708 11.389 61 HG1 THR 39 1HG THR 39 -5.107 0.362 11.176 62 1HG2 THR 39 1HG2 THR 39 -5.175 3.709 9.963 63 2HG2 THR 39 2HG2 THR 39 -6.031 2.158 9.782 64 3HG2 THR 39 3HG2 THR 39 -5.998 2.985 11.353 65 HA PRO 40 HA PRO 40 -2.374 3.487 5.988 66 1HB PRO 40 2HB PRO 40 -5.152 3.896 5.077 67 2HB PRO 40 3HB PRO 40 -3.748 3.241 4.209 68 1HG PRO 40 2HG PRO 40 -5.928 1.823 5.420 69 2HG PRO 40 3HG PRO 40 -4.480 1.109 4.666 70 1HD PRO 40 2HD PRO 40 -5.172 1.132 7.428 71 2HD PRO 40 3HD PRO 40 -3.621 0.597 6.713 72 H SER 41 H SER 41 -5.337 4.504 7.789 73 HA SER 41 HA SER 41 -5.114 7.281 7.264 74 1HB SER 41 2HB SER 41 -6.230 5.891 9.728 75 2HB SER 41 3HB SER 41 -6.408 7.613 9.349 76 HG SER 41 HG SER 41 -7.271 5.453 7.718 77 H GLU 42 H GLU 42 -3.183 5.294 9.461 78 HA GLU 42 HA GLU 42 -2.105 7.590 10.886 79 1HB GLU 42 2HB GLU 42 -2.487 5.155 11.771 80 2HB GLU 42 3HB GLU 42 -0.991 4.776 10.903 81 1HG GLU 42 2HG GLU 42 -0.341 5.229 13.128 82 2HG GLU 42 3HG GLU 42 0.073 6.728 12.293 83 H ILE 43 H ILE 43 -1.619 6.553 7.719 84 HA ILE 43 HA ILE 43 1.113 7.758 7.787 85 HB ILE 43 HB ILE 43 1.684 6.381 5.831 86 1HG1 ILE 43 2HG1 ILE 43 -0.633 4.662 6.775 87 2HG1 ILE 43 3HG1 ILE 43 -0.565 5.556 5.234 88 1HG2 ILE 43 1HG2 ILE 43 2.502 4.597 7.261 89 2HG2 ILE 43 2HG2 ILE 43 2.478 6.069 8.223 90 3HG2 ILE 43 3HG2 ILE 43 1.196 4.867 8.433 91 1HD1 ILE 43 1HD1 ILE 43 0.010 3.285 4.770 92 2HD1 ILE 43 2HD1 ILE 43 1.531 4.193 4.694 93 3HD1 ILE 43 3HD1 ILE 43 1.145 3.195 6.121 94 H VAL 44 H VAL 44 -1.946 8.523 7.078 95 HA VAL 44 HA VAL 44 -1.263 10.044 4.625 96 HB VAL 44 HB VAL 44 -3.878 9.372 5.989 97 1HG1 VAL 44 1HG1 VAL 44 -4.984 10.518 4.081 98 2HG1 VAL 44 2HG1 VAL 44 -4.132 11.666 5.113 99 3HG1 VAL 44 3HG1 VAL 44 -3.416 11.168 3.565 100 1HG2 VAL 44 1HG2 VAL 44 -2.667 8.759 3.247 101 2HG2 VAL 44 2HG2 VAL 44 -2.837 7.598 4.578 102 3HG2 VAL 44 3HG2 VAL 44 -4.270 8.267 3.781 103 H ASN 45 H ASN 45 -2.475 10.705 7.981 104 HA ASN 45 HA ASN 45 -2.317 13.620 7.293 105 1HB ASN 45 2HB ASN 45 -3.680 12.263 9.618 106 2HB ASN 45 3HB ASN 45 -3.723 13.980 9.196 107 1HD2 ASN 45 1HD2 ASN 45 -4.922 10.755 8.312 108 2HD2 ASN 45 2HD2 ASN 45 -6.083 11.347 7.135 109 H GLY 46 H GLY 46 -0.066 13.974 7.495 110 1HA GLY 46 1HA GLY 46 1.720 14.834 8.699 111 2HA GLY 46 2HA GLY 46 0.775 14.686 10.188 112 H LYS 47 H LYS 47 1.948 12.406 7.753 113 HA LYS 47 HA LYS 47 3.863 11.032 9.388 114 1HB LYS 47 2HB LYS 47 1.252 9.682 8.702 115 2HB LYS 47 3HB LYS 47 2.750 8.783 9.064 116 1HG LYS 47 2HG LYS 47 2.104 8.738 11.145 117 2HG LYS 47 3HG LYS 47 2.705 10.388 11.230 118 1HD LYS 47 2HD LYS 47 0.286 11.070 10.503 119 2HD LYS 47 3HD LYS 47 -0.154 9.401 10.822 120 1HE LYS 47 2HE LYS 47 0.982 9.737 13.115 121 2HE LYS 47 3HE LYS 47 0.905 11.475 12.776 122 1HZ LYS 47 1HZ LYS 47 -1.355 9.582 12.919 123 2HZ LYS 47 2HZ LYS 47 -1.020 10.722 14.013 124 3HZ LYS 47 3HZ LYS 47 -1.515 11.175 12.496 125 H THR 48 H THR 48 3.538 8.687 7.280 126 HA THR 48 HA THR 48 5.492 9.345 5.685 127 HB THR 48 HB THR 48 3.178 7.655 4.711 128 HG1 THR 48 1HG THR 48 4.026 6.085 6.184 129 1HG2 THR 48 1HG2 THR 48 5.155 7.687 3.259 130 2HG2 THR 48 2HG2 THR 48 6.218 7.335 4.643 131 3HG2 THR 48 3HG2 THR 48 5.037 6.129 4.101 132 H ASP 49 H ASP 49 2.072 9.891 4.638 133 HA ASP 49 HA ASP 49 2.350 10.867 2.084 134 1HB ASP 49 2HB ASP 49 0.205 10.873 3.107 135 2HB ASP 49 3HB ASP 49 0.787 11.847 4.476 136 H THR 50 H THR 50 2.794 12.792 5.036 137 HA THR 50 HA THR 50 3.890 15.047 3.533 138 HB THR 50 HB THR 50 3.558 14.967 6.521 139 HG1 THR 50 1HG THR 50 1.448 14.664 4.680 140 1HG2 THR 50 1HG2 THR 50 2.822 17.020 4.385 141 2HG2 THR 50 2HG2 THR 50 2.688 17.248 6.143 142 3HG2 THR 50 3HG2 THR 50 4.286 17.053 5.394 143 H GLY 51 H GLY 51 5.057 12.335 5.297 144 1HA GLY 51 1HA GLY 51 7.152 11.582 5.747 145 2HA GLY 51 2HA GLY 51 7.796 12.909 4.770 146 H VAL 52 H VAL 52 5.740 13.526 7.596 147 HA VAL 52 HA VAL 52 7.893 15.178 8.692 148 HB VAL 52 HB VAL 52 6.254 15.812 10.418 149 1HG1 VAL 52 1HG1 VAL 52 6.425 17.093 8.361 150 2HG1 VAL 52 2HG1 VAL 52 5.312 15.995 7.532 151 3HG1 VAL 52 3HG1 VAL 52 4.730 17.004 8.871 152 1HG2 VAL 52 1HG2 VAL 52 4.305 14.030 8.908 153 2HG2 VAL 52 2HG2 VAL 52 4.952 13.689 10.529 154 3HG2 VAL 52 3HG2 VAL 52 3.936 15.112 10.263 155 H LYS 53 H LYS 53 6.783 11.959 9.309 156 HA LYS 53 HA LYS 53 8.667 11.770 11.600 157 1HB LYS 53 2HB LYS 53 5.806 10.890 11.470 158 2HB LYS 53 3HB LYS 53 6.954 9.865 12.357 159 1HG LYS 53 2HG LYS 53 6.792 12.862 12.788 160 2HG LYS 53 3HG LYS 53 5.744 11.743 13.658 161 1HD LYS 53 2HD LYS 53 7.401 10.940 14.989 162 2HD LYS 53 3HD LYS 53 8.596 10.883 13.691 163 1HE LYS 53 2HE LYS 53 9.004 13.290 13.843 164 2HE LYS 53 3HE LYS 53 7.741 13.456 15.072 165 1HZ LYS 53 1HZ LYS 53 9.940 13.362 16.038 166 2HZ LYS 53 2HZ LYS 53 9.076 12.048 16.517 167 3HZ LYS 53 3HZ LYS 53 10.236 11.896 15.358 168 HA PRO 54 HA PRO 54 9.360 7.671 9.626 169 1HB PRO 54 2HB PRO 54 7.717 6.463 7.819 170 2HB PRO 54 3HB PRO 54 7.420 6.400 9.582 171 1HG PRO 54 2HG PRO 54 6.196 8.288 7.568 172 2HG PRO 54 3HG PRO 54 5.343 7.325 8.806 173 1HD PRO 54 2HD PRO 54 5.998 9.951 9.191 174 2HD PRO 54 3HD PRO 54 6.058 8.752 10.524 175 H GLU 55 H GLU 55 11.085 8.097 8.309 176 HA GLU 55 HA GLU 55 10.889 9.783 5.961 177 1HB GLU 55 2HB GLU 55 13.282 9.203 5.704 178 2HB GLU 55 3HB GLU 55 12.893 9.832 7.307 179 1HG GLU 55 2HG GLU 55 12.941 7.500 8.228 180 2HG GLU 55 3HG GLU 55 13.308 6.896 6.598 181 H ALA 56 H ALA 56 11.183 9.049 3.785 182 HA ALA 56 HA ALA 56 10.043 6.432 3.227 183 1HB ALA 56 1HB ALA 56 10.017 7.104 0.945 184 2HB ALA 56 2HB ALA 56 9.674 8.563 1.846 185 3HB ALA 56 3HB ALA 56 11.302 8.304 1.189 186 H GLY 57 H GLY 57 11.265 4.673 2.140 187 1HA GLY 57 1HA GLY 57 13.328 3.676 1.537 188 2HA GLY 57 2HA GLY 57 14.201 4.694 2.681 189 H GLN 58 H GLN 58 11.339 3.700 4.181 190 HA GLN 58 HA GLN 58 12.809 1.630 5.750 191 1HB GLN 58 2HB GLN 58 10.406 3.382 6.409 192 2HB GLN 58 3HB GLN 58 11.082 2.138 7.471 193 1HG GLN 58 2HG GLN 58 13.248 3.336 7.531 194 2HG GLN 58 3HG GLN 58 12.574 4.618 6.511 195 1HE2 GLN 58 1HE2 GLN 58 10.763 5.897 7.363 196 2HE2 GLN 58 2HE2 GLN 58 10.494 5.959 9.114 197 H ARG 59 H ARG 59 11.718 -0.330 6.293 198 HA ARG 59 HA ARG 59 9.601 -1.155 4.397 199 1HB ARG 59 2HB ARG 59 11.087 -2.771 6.496 200 2HB ARG 59 3HB ARG 59 9.969 -3.374 5.261 201 1HG ARG 59 2HG ARG 59 11.595 -2.472 3.507 202 2HG ARG 59 3HG ARG 59 12.726 -2.159 4.844 203 1HD ARG 59 2HD ARG 59 12.448 -4.597 5.510 204 2HD ARG 59 3HD ARG 59 11.537 -4.829 3.990 205 HE ARG 59 HE ARG 59 13.993 -3.598 3.346 206 1HH1 ARG 59 2HH2 ARG 59 12.817 -6.672 4.588 207 2HH1 ARG 59 1HH2 ARG 59 14.160 -7.619 4.027 208 1HH2 ARG 59 1HH1 ARG 59 15.839 -4.805 2.617 209 2HH2 ARG 59 2HH1 ARG 59 15.927 -6.514 2.881 210 H ILE 60 H ILE 60 7.511 -1.172 5.039 211 HA ILE 60 HA ILE 60 6.845 -1.794 7.796 212 HB ILE 60 HB ILE 60 5.146 -0.088 8.045 213 1HG1 ILE 60 2HG1 ILE 60 6.266 1.623 5.854 214 2HG1 ILE 60 3HG1 ILE 60 5.098 0.382 5.395 215 1HG2 ILE 60 1HG2 ILE 60 7.370 0.331 9.030 216 2HG2 ILE 60 2HG2 ILE 60 7.846 1.240 7.580 217 3HG2 ILE 60 3HG2 ILE 60 6.534 1.835 8.608 218 1HD1 ILE 60 1HD1 ILE 60 4.580 2.539 7.474 219 2HD1 ILE 60 2HD1 ILE 60 3.948 2.487 5.816 220 3HD1 ILE 60 3HD1 ILE 60 3.452 1.253 6.987 221 H ARG 61 H ARG 61 4.275 -2.172 7.771 222 HA ARG 61 HA ARG 61 3.483 -2.979 5.036 223 1HB ARG 61 2HB ARG 61 2.548 -4.491 7.455 224 2HB ARG 61 3HB ARG 61 2.619 -4.995 5.772 225 1HG ARG 61 2HG ARG 61 5.156 -4.868 6.021 226 2HG ARG 61 3HG ARG 61 4.950 -4.654 7.746 227 1HD ARG 61 2HD ARG 61 3.810 -7.082 6.301 228 2HD ARG 61 3HD ARG 61 5.459 -6.986 6.959 229 HE ARG 61 HE ARG 61 3.349 -6.301 8.860 230 1HH1 ARG 61 2HH2 ARG 61 4.997 -9.010 7.359 231 2HH1 ARG 61 1HH2 ARG 61 5.093 -9.989 8.789 232 1HH2 ARG 61 1HH1 ARG 61 3.526 -7.548 10.845 233 2HH2 ARG 61 2HH1 ARG 61 4.226 -9.132 10.815 234 H VAL 62 H VAL 62 1.489 -2.254 4.441 235 HA VAL 62 HA VAL 62 -0.052 -0.629 6.428 236 HB VAL 62 HB VAL 62 0.763 0.732 4.629 237 1HG1 VAL 62 1HG1 VAL 62 0.131 0.467 2.310 238 2HG1 VAL 62 2HG1 VAL 62 1.013 -0.977 2.821 239 3HG1 VAL 62 3HG1 VAL 62 -0.762 -1.016 2.663 240 1HG2 VAL 62 1HG2 VAL 62 -1.462 1.206 5.572 241 2HG2 VAL 62 2HG2 VAL 62 -1.386 1.657 3.857 242 3HG2 VAL 62 3HG2 VAL 62 -2.223 0.177 4.337 243 H GLY 63 H GLY 63 -2.073 -1.393 6.969 244 1HA GLY 63 1HA GLY 63 -3.252 -3.596 5.287 245 2HA GLY 63 2HA GLY 63 -3.187 -3.644 7.049 246 H GLY 64 H GLY 64 -5.090 -2.851 4.379 247 1HA GLY 64 1HA GLY 64 -7.026 -1.295 5.941 248 2HA GLY 64 2HA GLY 64 -6.257 -0.442 4.585 249 H MET 65 H MET 65 -8.521 -0.383 3.787 250 HA MET 65 HA MET 65 -9.419 -2.967 2.593 251 1HB MET 65 2HB MET 65 -11.691 -2.114 2.635 252 2HB MET 65 3HB MET 65 -10.996 -2.407 4.219 253 1HG MET 65 2HG MET 65 -10.466 0.350 3.585 254 2HG MET 65 3HG MET 65 -12.116 0.007 3.110 255 1HE MET 65 1HE MET 65 -10.638 -0.518 7.471 256 2HE MET 65 2HE MET 65 -10.476 -1.852 6.317 257 3HE MET 65 3HE MET 65 -9.541 -0.364 6.084 258 H VAL 66 H VAL 66 -9.571 -3.152 0.488 259 HA VAL 66 HA VAL 66 -8.635 -1.002 -1.193 260 HB VAL 66 HB VAL 66 -10.233 -3.482 -2.019 261 1HG1 VAL 66 1HG1 VAL 66 -10.147 -1.948 -3.842 262 2HG1 VAL 66 2HG1 VAL 66 -8.480 -1.469 -3.477 263 3HG1 VAL 66 3HG1 VAL 66 -8.824 -3.063 -4.158 264 1HG2 VAL 66 1HG2 VAL 66 -8.409 -4.398 -0.823 265 2HG2 VAL 66 2HG2 VAL 66 -7.884 -4.407 -2.494 266 3HG2 VAL 66 3HG2 VAL 66 -7.308 -3.141 -1.362 267 H THR 67 H THR 67 -9.876 0.419 -2.502 268 HA THR 67 HA THR 67 -12.486 1.141 -1.610 269 HB THR 67 HB THR 67 -10.763 2.630 -2.672 270 HG1 THR 67 1HG THR 67 -12.357 3.934 -3.493 271 1HG2 THR 67 1HG2 THR 67 -11.875 1.804 -5.359 272 2HG2 THR 67 2HG2 THR 67 -10.588 2.938 -4.972 273 3HG2 THR 67 3HG2 THR 67 -10.331 1.197 -4.704 274 H VAL 68 H VAL 68 -11.790 -0.283 -4.830 275 HA VAL 68 HA VAL 68 -13.834 -2.167 -4.781 276 HB VAL 68 HB VAL 68 -15.487 -0.398 -4.503 277 1HG1 VAL 68 1HG1 VAL 68 -15.783 1.479 -6.006 278 2HG1 VAL 68 2HG1 VAL 68 -14.206 1.594 -5.233 279 3HG1 VAL 68 3HG1 VAL 68 -14.336 1.054 -6.924 280 1HG2 VAL 68 1HG2 VAL 68 -16.873 -0.714 -6.349 281 2HG2 VAL 68 2HG2 VAL 68 -15.507 -1.161 -7.402 282 3HG2 VAL 68 3HG2 VAL 68 -15.967 -2.213 -6.033 283 H GLY 69 H GLY 69 -12.315 0.328 -6.866 284 1HA GLY 69 1HA GLY 69 -11.375 -1.826 -8.701 285 2HA GLY 69 2HA GLY 69 -12.337 -0.482 -9.346 286 H SER 70 H SER 70 -9.917 -0.517 -6.754 287 HA SER 70 HA SER 70 -8.480 1.786 -7.780 288 1HB SER 70 2HB SER 70 -8.342 -0.015 -5.403 289 2HB SER 70 3HB SER 70 -6.785 0.529 -5.958 290 HG SER 70 HG SER 70 -8.819 2.442 -5.852 291 H MET 71 H MET 71 -8.156 -1.689 -8.233 292 HA MET 71 HA MET 71 -5.420 -1.732 -8.834 293 1HB MET 71 2HB MET 71 -6.843 -3.734 -8.336 294 2HB MET 71 3HB MET 71 -7.751 -3.406 -9.777 295 1HG MET 71 2HG MET 71 -6.485 -5.216 -10.206 296 2HG MET 71 3HG MET 71 -5.814 -3.919 -11.201 297 1HE MET 71 1HE MET 71 -2.334 -3.527 -9.240 298 2HE MET 71 2HE MET 71 -3.587 -2.612 -10.114 299 3HE MET 71 3HE MET 71 -3.798 -3.050 -8.382 300 H VAL 72 H VAL 72 -4.424 -0.522 -10.423 301 HA VAL 72 HA VAL 72 -5.580 -0.802 -13.155 302 HB VAL 72 HB VAL 72 -4.628 1.380 -13.729 303 1HG1 VAL 72 1HG1 VAL 72 -6.479 2.689 -12.795 304 2HG1 VAL 72 2HG1 VAL 72 -7.043 1.068 -13.233 305 3HG1 VAL 72 3HG1 VAL 72 -6.746 1.476 -11.531 306 1HG2 VAL 72 1HG2 VAL 72 -3.026 1.736 -11.925 307 2HG2 VAL 72 2HG2 VAL 72 -4.208 3.051 -11.951 308 3HG2 VAL 72 3HG2 VAL 72 -4.334 1.789 -10.714 309 H ARG 73 H ARG 73 -4.319 -1.958 -14.377 310 HA ARG 73 HA ARG 73 -1.467 -2.303 -13.673 311 1HB ARG 73 2HB ARG 73 -1.583 -4.446 -14.873 312 2HB ARG 73 3HB ARG 73 -2.601 -4.469 -13.440 313 1HG ARG 73 2HG ARG 73 -3.745 -4.036 -16.216 314 2HG ARG 73 3HG ARG 73 -3.470 -5.604 -15.477 315 1HD ARG 73 2HD ARG 73 -5.421 -5.533 -14.454 316 2HD ARG 73 3HD ARG 73 -4.832 -4.190 -13.469 317 HE ARG 73 HE ARG 73 -5.821 -3.378 -16.100 318 1HH1 ARG 73 2HH2 ARG 73 -6.959 -4.367 -12.904 319 2HH1 ARG 73 1HH2 ARG 73 -7.785 -2.866 -12.624 320 1HH2 ARG 73 1HH1 ARG 73 -7.707 -1.982 -16.097 321 2HH2 ARG 73 2HH1 ARG 73 -8.736 -1.948 -14.697 322 H ASP 74 H ASP 74 0.001 -2.064 -15.431 323 HA ASP 74 HA ASP 74 -1.213 -0.613 -17.746 324 1HB ASP 74 2HB ASP 74 1.596 -0.731 -16.617 325 2HB ASP 74 3HB ASP 74 1.172 0.088 -18.115 326 HA PRO 75 HA PRO 75 -0.319 -4.146 -20.284 327 1HB PRO 75 2HB PRO 75 -0.196 -3.100 -22.793 328 2HB PRO 75 3HB PRO 75 -1.674 -3.011 -21.804 329 1HG PRO 75 2HG PRO 75 0.469 -0.877 -22.066 330 2HG PRO 75 3HG PRO 75 -1.288 -0.687 -22.350 331 1HD PRO 75 2HD PRO 75 -0.173 -0.057 -19.956 332 2HD PRO 75 3HD PRO 75 -1.765 -0.866 -20.027 333 H ASN 76 H ASN 76 1.967 -3.134 -18.867 334 HA ASN 76 HA ASN 76 4.258 -3.536 -20.738 335 1HB ASN 76 2HB ASN 76 4.089 -2.641 -17.826 336 2HB ASN 76 3HB ASN 76 5.588 -3.060 -18.670 337 1HD2 ASN 76 1HD2 ASN 76 2.708 -0.907 -19.172 338 2HD2 ASN 76 2HD2 ASN 76 3.671 0.422 -19.791 339 H SER 77 H SER 77 2.391 -4.871 -18.039 340 HA SER 77 HA SER 77 2.095 -7.023 -17.434 341 1HB SER 77 2HB SER 77 4.803 -7.904 -18.468 342 2HB SER 77 3HB SER 77 3.429 -8.886 -17.962 343 HG SER 77 HG SER 77 3.675 -7.235 -20.235 344 H LEU 78 H LEU 78 4.807 -4.984 -16.753 345 HA LEU 78 HA LEU 78 5.052 -6.221 -14.039 346 1HB LEU 78 2HB LEU 78 7.342 -5.451 -13.988 347 2HB LEU 78 3HB LEU 78 7.036 -6.717 -15.157 348 HG LEU 78 HG LEU 78 8.666 -4.819 -15.734 349 1HD1 LEU 78 1HD1 LEU 78 8.084 -6.488 -17.338 350 2HD1 LEU 78 2HD1 LEU 78 6.559 -5.678 -17.739 351 3HD1 LEU 78 3HD1 LEU 78 8.102 -4.907 -18.133 352 1HD2 LEU 78 1HD2 LEU 78 7.749 -2.876 -16.919 353 2HD2 LEU 78 2HD2 LEU 78 6.116 -3.308 -16.399 354 3HD2 LEU 78 3HD2 LEU 78 7.354 -2.858 -15.203 355 H HIS 79 H HID 79 3.154 -4.080 -14.893 356 HA HIS 79 HA HID 79 3.988 -2.114 -12.813 357 1HB HIS 79 2HB HID 79 3.357 -1.590 -15.695 358 2HB HIS 79 3HB HID 79 2.697 -0.478 -14.485 359 HD1 HIS 79 1HD HID 79 4.695 0.491 -12.695 360 HD2 HIS 79 2HD HID 79 5.692 -0.806 -16.572 361 HE1 HIS 79 1HE HID 79 6.917 1.597 -13.289 362 H VAL 80 H VAL 80 2.557 -2.341 -11.258 363 HA VAL 80 HA VAL 80 -0.331 -2.360 -11.872 364 HB VAL 80 HB VAL 80 -0.145 -4.127 -9.778 365 1HG1 VAL 80 1HG1 VAL 80 -0.731 -5.882 -11.470 366 2HG1 VAL 80 2HG1 VAL 80 -1.652 -4.371 -11.555 367 3HG1 VAL 80 3HG1 VAL 80 -0.341 -4.706 -12.734 368 1HG2 VAL 80 1HG2 VAL 80 2.061 -5.015 -11.699 369 2HG2 VAL 80 2HG2 VAL 80 2.292 -4.529 -10.003 370 3HG2 VAL 80 3HG2 VAL 80 1.337 -5.953 -10.395 371 H GLN 81 H GLN 81 -1.187 -0.620 -10.772 372 HA GLN 81 HA GLN 81 -0.040 -0.147 -8.040 373 1HB GLN 81 2HB GLN 81 -0.055 2.228 -8.358 374 2HB GLN 81 3HB GLN 81 1.008 1.474 -9.560 375 1HG GLN 81 2HG GLN 81 -0.789 1.643 -11.259 376 2HG GLN 81 3HG GLN 81 -1.862 2.365 -10.030 377 1HE2 GLN 81 1HE2 GLN 81 -2.146 4.260 -11.325 378 2HE2 GLN 81 2HE2 GLN 81 -0.826 5.397 -11.507 379 H PHE 82 H PHE 82 -1.469 0.799 -6.544 380 HA PHE 82 HA PHE 82 -4.291 0.993 -7.331 381 1HB PHE 82 2HB PHE 82 -5.031 -0.960 -6.041 382 2HB PHE 82 3HB PHE 82 -3.870 -1.369 -7.220 383 HD1 PHE 82 1HD PHE 82 -4.048 -0.611 -3.554 384 HD2 PHE 82 2HD PHE 82 -1.907 -2.621 -6.715 385 HE1 PHE 82 1HE PHE 82 -2.866 -1.990 -1.882 386 HE2 PHE 82 2HE PHE 82 -0.723 -3.990 -5.030 387 HZ PHE 82 HZ PHE 82 -1.290 -3.761 -2.614 388 H ALA 83 H ALA 83 -5.586 2.086 -5.777 389 HA ALA 83 HA ALA 83 -4.115 3.160 -3.473 390 1HB ALA 83 1HB ALA 83 -6.902 3.897 -4.396 391 2HB ALA 83 2HB ALA 83 -5.897 4.707 -3.190 392 3HB ALA 83 3HB ALA 83 -5.425 4.739 -4.898 393 H VAL 84 H VAL 84 -5.012 3.043 -1.412 394 HA VAL 84 HA VAL 84 -7.168 1.069 -0.926 395 HB VAL 84 HB VAL 84 -5.145 -0.280 -0.800 396 1HG1 VAL 84 1HG1 VAL 84 -3.375 0.128 0.822 397 2HG1 VAL 84 2HG1 VAL 84 -3.476 1.461 -0.338 398 3HG1 VAL 84 3HG1 VAL 84 -4.138 1.658 1.305 399 1HG2 VAL 84 1HG2 VAL 84 -5.296 -1.142 1.498 400 2HG2 VAL 84 2HG2 VAL 84 -6.236 0.277 1.987 401 3HG2 VAL 84 3HG2 VAL 84 -6.879 -0.861 0.776 402 H HIS 85 H HID 85 -8.252 1.504 1.134 403 HA HIS 85 HA HID 85 -7.521 4.116 2.348 404 1HB HIS 85 2HB HID 85 -9.691 4.976 2.240 405 2HB HIS 85 3HB HID 85 -9.316 4.430 0.613 406 HD1 HIS 85 1HD HID 85 -11.808 3.869 3.418 407 HD2 HIS 85 2HD HID 85 -10.542 2.050 -0.160 408 HE1 HIS 85 1HE HID 85 -13.671 2.294 2.706 409 H ASP 86 H ASP 86 -9.470 4.326 4.244 410 HA ASP 86 HA ASP 86 -9.385 1.798 5.747 411 1HB ASP 86 2HB ASP 86 -7.494 3.518 6.359 412 2HB ASP 86 3HB ASP 86 -8.836 4.465 7.053 413 H SER 87 H SER 87 -10.747 2.486 7.927 414 HA SER 87 HA SER 87 -13.473 2.924 7.107 415 1HB SER 87 2HB SER 87 -12.020 2.972 9.793 416 2HB SER 87 3HB SER 87 -13.778 3.156 9.621 417 HG SER 87 HG SER 87 -13.787 1.104 8.571 418 H LEU 88 H LEU 88 -10.838 5.005 8.313 419 HA LEU 88 HA LEU 88 -12.680 7.300 8.487 420 1HB LEU 88 2HB LEU 88 -9.719 7.004 9.122 421 2HB LEU 88 3HB LEU 88 -10.589 8.537 9.187 422 HG LEU 88 HG LEU 88 -10.323 7.646 11.375 423 1HD1 LEU 88 1HD1 LEU 88 -12.578 7.790 12.209 424 2HD1 LEU 88 2HD1 LEU 88 -12.413 8.911 10.846 425 3HD1 LEU 88 3HD1 LEU 88 -13.266 7.364 10.637 426 1HD2 LEU 88 1HD2 LEU 88 -10.241 5.204 10.749 427 2HD2 LEU 88 2HD2 LEU 88 -11.191 5.591 12.195 428 3HD2 LEU 88 3HD2 LEU 88 -12.021 5.231 10.679 429 H GLY 89 H GLY 89 -9.416 7.572 7.127 430 1HA GLY 89 1HA GLY 89 -10.465 8.211 4.453 431 2HA GLY 89 2HA GLY 89 -9.985 9.616 5.428 432 H GLY 90 H GLY 90 -8.518 6.377 5.551 433 1HA GLY 90 1HA GLY 90 -5.875 7.522 5.216 434 2HA GLY 90 2HA GLY 90 -6.306 5.823 5.481 435 H GLU 91 H GLU 91 -7.176 8.138 2.863 436 HA GLU 91 HA GLU 91 -6.953 6.124 0.819 437 1HB GLU 91 2HB GLU 91 -8.382 8.218 0.667 438 2HB GLU 91 3HB GLU 91 -6.891 9.154 0.471 439 1HG GLU 91 2HG GLU 91 -6.340 7.698 -1.538 440 2HG GLU 91 3HG GLU 91 -7.932 6.939 -1.357 441 H ILE 92 H ILE 92 -4.975 5.223 0.349 442 HA ILE 92 HA ILE 92 -2.726 7.059 -0.153 443 HB ILE 92 HB ILE 92 -2.611 6.220 2.232 444 1HG1 ILE 92 2HG1 ILE 92 -0.288 5.551 2.222 445 2HG1 ILE 92 3HG1 ILE 92 -0.338 5.266 0.472 446 1HG2 ILE 92 1HG2 ILE 92 -1.984 3.905 2.668 447 2HG2 ILE 92 2HG2 ILE 92 -3.559 3.965 1.858 448 3HG2 ILE 92 3HG2 ILE 92 -2.104 3.501 0.948 449 1HD1 ILE 92 1HD1 ILE 92 -0.861 7.965 1.794 450 2HD1 ILE 92 2HD1 ILE 92 0.716 7.446 1.172 451 3HD1 ILE 92 3HD1 ILE 92 -0.634 7.659 0.055 452 H LEU 93 H LEU 93 -0.961 5.899 -1.402 453 HA LEU 93 HA LEU 93 -2.299 4.102 -3.357 454 1HB LEU 93 2HB LEU 93 -1.089 6.805 -3.709 455 2HB LEU 93 3HB LEU 93 -0.453 5.595 -4.825 456 HG LEU 93 HG LEU 93 -3.424 6.001 -4.546 457 1HD1 LEU 93 1HD1 LEU 93 -1.487 7.323 -6.508 458 2HD1 LEU 93 2HD1 LEU 93 -3.255 7.376 -6.613 459 3HD1 LEU 93 3HD1 LEU 93 -2.428 8.158 -5.249 460 1HD2 LEU 93 1HD2 LEU 93 -3.432 4.893 -6.742 461 2HD2 LEU 93 2HD2 LEU 93 -1.656 4.941 -6.816 462 3HD2 LEU 93 3HD2 LEU 93 -2.461 3.900 -5.640 463 H VAL 94 H VAL 94 -1.113 2.300 -3.849 464 HA VAL 94 HA VAL 94 1.780 2.386 -3.145 465 HB VAL 94 HB VAL 94 1.761 0.173 -2.358 466 1HG1 VAL 94 1HG1 VAL 94 0.953 2.062 -0.831 467 2HG1 VAL 94 2HG1 VAL 94 -0.685 1.451 -1.050 468 3HG1 VAL 94 3HG1 VAL 94 0.548 0.413 -0.306 469 1HG2 VAL 94 1HG2 VAL 94 -0.281 -1.154 -2.093 470 2HG2 VAL 94 2HG2 VAL 94 -1.209 0.099 -2.957 471 3HG2 VAL 94 3HG2 VAL 94 0.036 -0.844 -3.812 472 H THR 95 H THR 95 3.164 1.469 -4.548 473 HA THR 95 HA THR 95 2.093 0.859 -7.272 474 HB THR 95 HB THR 95 4.425 1.709 -7.893 475 HG1 THR 95 1HG THR 95 5.128 1.346 -5.628 476 1HG2 THR 95 1HG2 THR 95 2.716 3.713 -6.338 477 2HG2 THR 95 2HG2 THR 95 3.903 4.080 -7.600 478 3HG2 THR 95 3HG2 THR 95 2.418 3.209 -8.020 479 H TYR 96 H TYR 96 2.674 -1.153 -8.107 480 HA TYR 96 HA TYR 96 4.762 -2.742 -6.706 481 1HB TYR 96 2HB TYR 96 2.239 -3.146 -6.237 482 2HB TYR 96 3HB TYR 96 2.167 -3.829 -7.848 483 HD1 TYR 96 HD1 TYR 96 1.934 -4.832 -4.717 484 HD2 TYR 96 HD2 TYR 96 4.701 -5.463 -7.959 485 HE1 TYR 96 HE1 TYR 96 2.197 -7.209 -4.082 486 HE2 TYR 96 HE2 TYR 96 4.934 -7.821 -7.305 487 HH TYR 96 HH TYR 96 3.791 -9.114 -4.535 488 H ASP 97 H ASP 97 6.298 -3.486 -8.141 489 HA ASP 97 HA ASP 97 5.863 -3.016 -11.020 490 1HB ASP 97 2HB ASP 97 8.256 -2.443 -10.967 491 2HB ASP 97 3HB ASP 97 7.294 -1.413 -9.905 492 H ASP 98 H ASP 98 5.218 -5.622 -9.811 493 HA ASP 98 HA ASP 98 6.921 -7.329 -11.407 494 1HB ASP 98 2HB ASP 98 8.194 -6.789 -9.151 495 2HB ASP 98 3HB ASP 98 7.061 -7.917 -8.422 496 H LEU 99 H LEU 99 4.347 -7.141 -11.866 497 HA LEU 99 HA LEU 99 2.263 -8.002 -11.804 498 1HB LEU 99 2HB LEU 99 4.075 -10.418 -11.517 499 2HB LEU 99 3HB LEU 99 2.360 -10.664 -11.440 500 HG LEU 99 HG LEU 99 2.763 -8.942 -13.664 501 1HD1 LEU 99 1HD1 LEU 99 5.098 -9.739 -13.706 502 2HD1 LEU 99 2HD1 LEU 99 4.524 -11.423 -13.729 503 3HD1 LEU 99 3HD1 LEU 99 4.176 -10.341 -15.096 504 1HD2 LEU 99 1HD2 LEU 99 1.725 -10.765 -14.897 505 2HD2 LEU 99 2HD2 LEU 99 1.986 -11.871 -13.530 506 3HD2 LEU 99 3HD2 LEU 99 0.887 -10.481 -13.362 507 H LEU 100 H LEU 100 1.046 -10.069 -10.151 508 HA LEU 100 HA LEU 100 1.328 -9.136 -7.413 509 1HB LEU 100 2HB LEU 100 -1.002 -8.615 -9.301 510 2HB LEU 100 3HB LEU 100 -1.382 -8.972 -7.618 511 HG LEU 100 HG LEU 100 0.516 -6.711 -8.366 512 1HD1 LEU 100 1HD1 LEU 100 -2.484 -6.662 -7.944 513 2HD1 LEU 100 2HD1 LEU 100 -1.438 -5.232 -8.008 514 3HD1 LEU 100 3HD1 LEU 100 -1.636 -6.268 -9.443 515 1HD2 LEU 100 1HD2 LEU 100 -1.219 -7.281 -5.937 516 2HD2 LEU 100 2HD2 LEU 100 0.522 -7.593 -6.021 517 3HD2 LEU 100 3HD2 LEU 100 -0.078 -5.929 -6.126 518 HA PRO 101 HA PRO 101 0.349 -13.442 -6.994 519 1HB PRO 101 2HB PRO 101 -0.937 -13.610 -4.556 520 2HB PRO 101 3HB PRO 101 0.801 -13.273 -4.757 521 1HG PRO 101 2HG PRO 101 -1.395 -11.254 -4.246 522 2HG PRO 101 3HG PRO 101 0.196 -11.337 -3.492 523 1HD PRO 101 2HD PRO 101 -0.334 -9.680 -5.577 524 2HD PRO 101 3HD PRO 101 1.269 -10.448 -5.382 525 H ASP 102 H ASP 102 -2.564 -11.987 -5.511 526 HA ASP 102 HA ASP 102 -4.330 -13.475 -7.403 527 1HB ASP 102 2HB ASP 102 -4.686 -12.333 -4.595 528 2HB ASP 102 3HB ASP 102 -6.018 -12.865 -5.637 529 H LEU 103 H LEU 103 -3.158 -11.350 -8.554 530 HA LEU 103 HA LEU 103 -3.220 -9.215 -9.264 531 1HB LEU 103 2HB LEU 103 -4.975 -8.719 -10.674 532 2HB LEU 103 3HB LEU 103 -4.827 -10.465 -10.692 533 HG LEU 103 HG LEU 103 -6.804 -9.556 -8.668 534 1HD1 LEU 103 1HD1 LEU 103 -7.080 -7.653 -10.174 535 2HD1 LEU 103 2HD1 LEU 103 -7.309 -8.756 -11.550 536 3HD1 LEU 103 3HD1 LEU 103 -8.486 -8.721 -10.216 537 1HD2 LEU 103 1HD2 LEU 103 -6.635 -11.872 -9.548 538 2HD2 LEU 103 2HD2 LEU 103 -8.236 -11.159 -9.816 539 3HD2 LEU 103 3HD2 LEU 103 -7.085 -11.276 -11.164 540 H PHE 104 H PHE 104 -3.801 -9.300 -6.297 541 HA PHE 104 HA PHE 104 -4.499 -7.953 -4.611 542 1HB PHE 104 2HB PHE 104 -3.137 -6.202 -5.411 543 2HB PHE 104 3HB PHE 104 -4.208 -5.857 -6.759 544 HD1 PHE 104 1HD PHE 104 -5.956 -4.393 -6.629 545 HD2 PHE 104 2HD PHE 104 -3.943 -5.551 -3.041 546 HE1 PHE 104 1HE PHE 104 -6.890 -2.387 -5.494 547 HE2 PHE 104 2HE PHE 104 -4.921 -3.576 -1.867 548 HZ PHE 104 HZ PHE 104 -6.255 -1.926 -3.122 549 H ARG 105 H ARG 105 -6.441 -8.974 -4.179 550 HA ARG 105 HA ARG 105 -8.731 -8.726 -5.888 551 1HB ARG 105 2HB ARG 105 -8.479 -9.561 -2.972 552 2HB ARG 105 3HB ARG 105 -9.943 -9.730 -3.940 553 1HG ARG 105 2HG ARG 105 -9.325 -11.673 -4.781 554 2HG ARG 105 3HG ARG 105 -7.762 -11.051 -5.322 555 1HD ARG 105 2HD ARG 105 -6.718 -11.525 -3.269 556 2HD ARG 105 3HD ARG 105 -8.220 -11.709 -2.371 557 HE ARG 105 HE ARG 105 -6.891 -13.692 -4.150 558 1HH1 ARG 105 2HH2 ARG 105 -9.624 -13.098 -1.977 559 2HH1 ARG 105 1HH2 ARG 105 -10.007 -14.790 -1.840 560 1HH2 ARG 105 1HH1 ARG 105 -7.279 -15.694 -3.986 561 2HH2 ARG 105 2HH1 ARG 105 -8.642 -16.387 -3.092 562 H GLU 106 H GLU 106 -10.044 -6.965 -6.060 563 HA GLU 106 HA GLU 106 -9.979 -4.859 -4.095 564 1HB GLU 106 2HB GLU 106 -11.803 -5.072 -6.507 565 2HB GLU 106 3HB GLU 106 -11.223 -3.633 -5.661 566 1HG GLU 106 2HG GLU 106 -9.805 -3.551 -7.440 567 2HG GLU 106 3HG GLU 106 -8.813 -4.603 -6.422 568 H GLY 107 H GLY 107 -12.033 -3.775 -3.434 569 1HA GLY 107 1HA GLY 107 -13.863 -3.746 -2.087 570 2HA GLY 107 2HA GLY 107 -14.486 -5.075 -3.079 571 H GLN 108 H GLN 108 -11.546 -5.180 -1.017 572 HA GLN 108 HA GLN 108 -12.854 -6.382 1.232 573 1HB GLN 108 2HB GLN 108 -11.684 -8.536 1.174 574 2HB GLN 108 3HB GLN 108 -12.769 -8.356 -0.202 575 1HG GLN 108 2HG GLN 108 -10.743 -7.676 -1.590 576 2HG GLN 108 3HG GLN 108 -9.724 -8.105 -0.206 577 1HE2 GLN 108 1HE2 GLN 108 -12.359 -9.391 -2.286 578 2HE2 GLN 108 2HE2 GLN 108 -11.803 -11.056 -2.267 579 H GLY 109 H GLY 109 -10.871 -7.158 2.773 580 1HA GLY 109 1HA GLY 109 -8.906 -4.937 2.715 581 2HA GLY 109 2HA GLY 109 -9.325 -5.912 4.108 582 H ILE 110 H ILE 110 -6.739 -5.239 2.647 583 HA ILE 110 HA ILE 110 -5.606 -7.953 2.536 584 HB ILE 110 HB ILE 110 -4.588 -7.774 0.438 585 1HG1 ILE 110 2HG1 ILE 110 -5.439 -5.670 -1.016 586 2HG1 ILE 110 3HG1 ILE 110 -5.273 -4.870 0.546 587 1HG2 ILE 110 1HG2 ILE 110 -7.003 -8.474 0.368 588 2HG2 ILE 110 2HG2 ILE 110 -7.428 -6.812 -0.081 589 3HG2 ILE 110 3HG2 ILE 110 -6.406 -7.784 -1.144 590 1HD1 ILE 110 1HD1 ILE 110 -3.170 -4.760 -0.756 591 2HD1 ILE 110 2HD1 ILE 110 -2.903 -5.782 0.665 592 3HD1 ILE 110 3HD1 ILE 110 -3.154 -6.531 -0.926 593 H VAL 111 H VAL 111 -3.270 -7.853 2.887 594 HA VAL 111 HA VAL 111 -2.426 -5.225 4.089 595 HB VAL 111 HB VAL 111 -1.235 -6.342 5.750 596 1HG1 VAL 111 1HG1 VAL 111 -4.050 -7.502 5.706 597 2HG1 VAL 111 2HG1 VAL 111 -3.052 -7.140 7.126 598 3HG1 VAL 111 3HG1 VAL 111 -3.664 -5.823 6.112 599 1HG2 VAL 111 1HG2 VAL 111 -1.452 -8.776 6.191 600 2HG2 VAL 111 2HG2 VAL 111 -2.316 -8.974 4.653 601 3HG2 VAL 111 3HG2 VAL 111 -0.614 -8.460 4.665 602 H ALA 112 H ALA 112 -0.675 -4.325 3.337 603 HA ALA 112 HA ALA 112 0.816 -5.735 1.161 604 1HB ALA 112 1HB ALA 112 0.877 -3.513 0.079 605 2HB ALA 112 2HB ALA 112 -0.798 -4.029 0.367 606 3HB ALA 112 3HB ALA 112 -0.041 -2.828 1.427 607 H GLN 113 H GLN 113 3.030 -5.656 1.242 608 HA GLN 113 HA GLN 113 4.377 -3.883 3.214 609 1HB GLN 113 2HB GLN 113 4.102 -6.032 4.272 610 2HB GLN 113 3HB GLN 113 4.562 -6.903 2.848 611 1HG GLN 113 2HG GLN 113 6.656 -5.026 3.958 612 2HG GLN 113 3HG GLN 113 6.231 -6.412 4.948 613 1HE2 GLN 113 1HE2 GLN 113 6.037 -8.593 3.794 614 2HE2 GLN 113 2HE2 GLN 113 7.374 -8.948 2.745 615 H GLY 114 H GLY 114 6.377 -3.123 2.562 616 1HA GLY 114 1HA GLY 114 8.083 -4.591 0.918 617 2HA GLY 114 2HA GLY 114 7.350 -3.402 -0.153 618 H VAL 115 H VAL 115 8.053 -1.256 -0.016 619 HA VAL 115 HA VAL 115 9.382 -0.338 2.405 620 HB VAL 115 HB VAL 115 11.161 -1.533 1.145 621 1HG1 VAL 115 1HG1 VAL 115 10.321 -1.099 -1.172 622 2HG1 VAL 115 2HG1 VAL 115 10.814 0.601 -1.001 623 3HG1 VAL 115 3HG1 VAL 115 12.029 -0.687 -0.962 624 1HG2 VAL 115 1HG2 VAL 115 11.832 0.236 2.620 625 2HG2 VAL 115 2HG2 VAL 115 12.878 0.167 1.200 626 3HG2 VAL 115 3HG2 VAL 115 11.654 1.436 1.323 627 H LEU 116 H LEU 116 9.386 1.870 2.598 628 HA LEU 116 HA LEU 116 7.580 3.401 0.809 629 1HB LEU 116 2HB LEU 116 9.233 4.001 3.284 630 2HB LEU 116 3HB LEU 116 8.337 5.245 2.404 631 HG LEU 116 HG LEU 116 6.340 4.621 3.135 632 1HD1 LEU 116 1HD1 LEU 116 6.249 2.272 2.213 633 2HD1 LEU 116 2HD1 LEU 116 7.131 1.723 3.653 634 3HD1 LEU 116 3HD1 LEU 116 5.514 2.444 3.795 635 1HD2 LEU 116 1HD2 LEU 116 7.771 5.110 5.052 636 2HD2 LEU 116 2HD2 LEU 116 6.403 4.048 5.467 637 3HD2 LEU 116 3HD2 LEU 116 8.038 3.360 5.271 638 H GLY 117 H GLY 117 8.366 5.280 -0.476 639 1HA GLY 117 1HA GLY 117 11.163 5.922 -0.493 640 2HA GLY 117 2HA GLY 117 10.785 4.877 -1.887 641 H GLU 118 H GLU 118 8.337 5.782 -2.732 642 HA GLU 118 HA GLU 118 8.949 8.348 -3.850 643 1HB GLU 118 2HB GLU 118 6.266 7.006 -3.440 644 2HB GLU 118 3HB GLU 118 6.614 8.370 -4.532 645 1HG GLU 118 2HG GLU 118 8.384 6.730 -5.548 646 2HG GLU 118 3HG GLU 118 7.432 5.473 -4.734 647 H ASP 119 H ASP 119 7.811 10.297 -3.424 648 HA ASP 119 HA ASP 119 7.681 10.838 -0.626 649 1HB ASP 119 2HB ASP 119 8.825 12.350 -2.289 650 2HB ASP 119 3HB ASP 119 7.248 12.737 -3.006 651 H GLY 120 H GLY 120 5.998 9.429 -0.439 652 1HA GLY 120 1HA GLY 120 3.831 9.513 0.660 653 2HA GLY 120 2HA GLY 120 3.285 10.725 -0.501 654 H LYS 121 H LYS 121 4.968 7.896 -1.736 655 HA LYS 121 HA LYS 121 2.496 6.363 -2.140 656 1HB LYS 121 2HB LYS 121 4.357 7.296 -4.344 657 2HB LYS 121 3HB LYS 121 3.963 5.588 -4.291 658 1HG LYS 121 2HG LYS 121 2.469 6.563 -5.753 659 2HG LYS 121 3HG LYS 121 1.600 6.100 -4.293 660 1HD LYS 121 2HD LYS 121 0.790 8.193 -5.196 661 2HD LYS 121 3HD LYS 121 1.423 8.463 -3.593 662 1HE LYS 121 2HE LYS 121 3.155 8.906 -6.074 663 2HE LYS 121 3HE LYS 121 1.946 10.107 -5.604 664 1HZ LYS 121 1HZ LYS 121 3.065 10.399 -3.510 665 2HZ LYS 121 2HZ LYS 121 4.114 9.185 -3.842 666 3HZ LYS 121 3HZ LYS 121 4.161 10.577 -4.704 667 H LEU 122 H LEU 122 3.021 4.048 -2.165 668 HA LEU 122 HA LEU 122 5.611 3.509 -0.739 669 1HB LEU 122 2HB LEU 122 3.054 1.926 -0.392 670 2HB LEU 122 3HB LEU 122 4.541 1.838 0.519 671 HG LEU 122 HG LEU 122 3.132 2.908 1.975 672 1HD1 LEU 122 1HD1 LEU 122 4.090 4.918 2.460 673 2HD1 LEU 122 2HD1 LEU 122 5.299 4.269 1.323 674 3HD1 LEU 122 3HD1 LEU 122 4.123 5.483 0.791 675 1HD2 LEU 122 1HD2 LEU 122 1.170 3.350 0.898 676 2HD2 LEU 122 2HD2 LEU 122 1.772 4.906 1.478 677 3HD2 LEU 122 3HD2 LEU 122 1.910 4.508 -0.241 678 H ALA 123 H ALA 123 6.848 1.762 -1.332 679 HA ALA 123 HA ALA 123 6.067 0.498 -3.930 680 1HB ALA 123 1HB ALA 123 8.393 -0.156 -4.110 681 2HB ALA 123 2HB ALA 123 8.242 1.602 -3.927 682 3HB ALA 123 3HB ALA 123 8.776 0.607 -2.557 683 H ALA 124 H ALA 124 4.477 -0.839 -2.955 684 HA ALA 124 HA ALA 124 5.355 -2.787 -0.887 685 1HB ALA 124 1HB ALA 124 3.218 -1.697 -0.514 686 2HB ALA 124 2HB ALA 124 2.617 -2.293 -2.084 687 3HB ALA 124 3HB ALA 124 3.030 -3.442 -0.789 688 H THR 125 H THR 125 5.787 -4.881 -1.414 689 HA THR 125 HA THR 125 5.098 -5.860 -4.148 690 HB THR 125 HB THR 125 7.391 -5.128 -4.224 691 HG1 THR 125 1HG THR 125 6.607 -7.038 -5.352 692 1HG2 THR 125 1HG2 THR 125 7.943 -7.258 -2.104 693 2HG2 THR 125 2HG2 THR 125 9.149 -6.321 -3.001 694 3HG2 THR 125 3HG2 THR 125 8.073 -5.499 -1.856 695 H GLU 126 H GLU 126 5.284 -6.624 -0.701 696 HA GLU 126 HA GLU 126 4.426 -9.436 -1.296 697 1HB GLU 126 2HB GLU 126 6.342 -9.106 0.233 698 2HB GLU 126 3HB GLU 126 5.338 -8.044 1.213 699 1HG GLU 126 2HG GLU 126 4.857 -9.933 2.405 700 2HG GLU 126 3HG GLU 126 3.764 -10.343 1.075 701 H VAL 127 H VAL 127 2.208 -9.242 -1.738 702 HA VAL 127 HA VAL 127 0.571 -7.680 0.213 703 HB VAL 127 HB VAL 127 -1.092 -7.318 -1.459 704 1HG1 VAL 127 1HG1 VAL 127 1.679 -6.252 -2.152 705 2HG1 VAL 127 2HG1 VAL 127 0.175 -5.646 -2.869 706 3HG1 VAL 127 3HG1 VAL 127 0.441 -5.527 -1.130 707 1HG2 VAL 127 1HG2 VAL 127 0.782 -8.729 -3.377 708 2HG2 VAL 127 2HG2 VAL 127 -0.920 -9.081 -3.003 709 3HG2 VAL 127 3HG2 VAL 127 -0.512 -7.611 -3.876 710 H LEU 128 H LEU 128 -0.738 -8.843 1.406 711 HA LEU 128 HA LEU 128 -1.257 -11.688 0.621 712 1HB LEU 128 2HB LEU 128 -1.042 -10.594 3.428 713 2HB LEU 128 3HB LEU 128 -1.120 -12.272 2.873 714 HG LEU 128 HG LEU 128 1.019 -11.975 3.636 715 1HD1 LEU 128 1HD1 LEU 128 1.391 -11.658 0.645 716 2HD1 LEU 128 2HD1 LEU 128 2.463 -12.444 1.803 717 3HD1 LEU 128 3HD1 LEU 128 0.878 -13.158 1.446 718 1HD2 LEU 128 1HD2 LEU 128 2.582 -10.269 3.164 719 2HD2 LEU 128 2HD2 LEU 128 1.540 -9.494 1.971 720 3HD2 LEU 128 3HD2 LEU 128 1.093 -9.487 3.685 721 H ALA 129 H ALA 129 -3.337 -11.815 -0.001 722 HA ALA 129 HA ALA 129 -5.368 -9.937 1.106 723 1HB ALA 129 1HB ALA 129 -5.311 -11.612 -1.430 724 2HB ALA 129 2HB ALA 129 -6.564 -10.429 -0.985 725 3HB ALA 129 3HB ALA 129 -4.911 -9.883 -1.329 726 H LYS 130 H LYS 130 -4.710 -12.049 2.797 727 HA LYS 130 HA LYS 130 -6.500 -14.312 2.364 728 1HB LYS 130 2HB LYS 130 -5.627 -15.108 4.486 729 2HB LYS 130 3HB LYS 130 -4.327 -14.619 3.406 730 1HG LYS 130 2HG LYS 130 -5.132 -12.342 5.080 731 2HG LYS 130 3HG LYS 130 -4.851 -13.760 6.087 732 1HD LYS 130 2HD LYS 130 -2.617 -14.053 5.157 733 2HD LYS 130 3HD LYS 130 -2.915 -12.758 3.976 734 1HE LYS 130 2HE LYS 130 -3.067 -11.072 5.726 735 2HE LYS 130 3HE LYS 130 -3.008 -12.305 6.995 736 1HZ LYS 130 1HZ LYS 130 -0.801 -11.705 5.138 737 2HZ LYS 130 2HZ LYS 130 -0.905 -11.211 6.701 738 3HZ LYS 130 3HZ LYS 130 -0.770 -12.814 6.353 739 H HIS 131 H HID 131 -8.223 -12.267 2.201 740 HA HIS 131 HA HID 131 -9.199 -11.429 4.806 741 1HB HIS 131 2HB HID 131 -9.402 -10.279 2.441 742 2HB HIS 131 3HB HID 131 -10.870 -11.239 2.289 743 HD1 HIS 131 1HD HID 131 -12.966 -10.153 3.443 744 HD2 HIS 131 2HD HID 131 -9.248 -8.719 4.819 745 HE1 HIS 131 1HE HID 131 -13.442 -8.051 4.856 746 H ASP 132 H ASP 132 -10.441 -13.583 2.253 747 HA ASP 132 HA ASP 132 -11.884 -15.250 4.254 748 1HB ASP 132 2HB ASP 132 -12.911 -14.124 1.608 749 2HB ASP 132 3HB ASP 132 -13.614 -15.538 2.401 Start of MODEL 30 1 H SER 32 H SER 32 13.229 -2.245 20.035 2 HA SER 32 HA SER 32 11.229 -1.742 19.115 3 1HB SER 32 2HB SER 32 12.816 0.002 17.181 4 2HB SER 32 3HB SER 32 11.111 0.189 17.642 5 HG SER 32 HG SER 32 12.725 1.505 18.821 6 H ASN 33 H ASN 33 10.793 -1.195 16.109 7 HA ASN 33 HA ASN 33 11.595 -3.722 14.865 8 1HB ASN 33 2HB ASN 33 8.715 -2.786 15.283 9 2HB ASN 33 3HB ASN 33 9.181 -3.771 13.895 10 1HD2 ASN 33 1HD2 ASN 33 7.809 -4.087 16.881 11 2HD2 ASN 33 2HD2 ASN 33 8.298 -5.743 17.193 12 H LEU 34 H LEU 34 12.120 -3.300 12.752 13 HA LEU 34 HA LEU 34 11.890 -0.538 11.808 14 1HB LEU 34 2HB LEU 34 13.870 -2.266 11.471 15 2HB LEU 34 3HB LEU 34 12.891 -2.835 10.122 16 HG LEU 34 HG LEU 34 12.793 -0.193 9.566 17 1HD1 LEU 34 1HD1 LEU 34 15.454 -0.513 11.041 18 2HD1 LEU 34 2HD1 LEU 34 14.904 0.921 10.157 19 3HD1 LEU 34 3HD1 LEU 34 14.074 0.427 11.643 20 1HD2 LEU 34 1HD2 LEU 34 15.193 -1.978 8.985 21 2HD2 LEU 34 2HD2 LEU 34 13.686 -1.886 8.044 22 3HD2 LEU 34 3HD2 LEU 34 14.772 -0.488 8.113 23 H ASN 35 H ASN 35 10.792 -3.763 10.704 24 HA ASN 35 HA ASN 35 8.871 -2.502 8.795 25 1HB ASN 35 2HB ASN 35 10.636 -3.756 7.737 26 2HB ASN 35 3HB ASN 35 10.357 -5.145 8.800 27 1HD2 ASN 35 1HD2 ASN 35 10.208 -6.269 6.625 28 2HD2 ASN 35 2HD2 ASN 35 8.650 -6.274 5.830 29 H LEU 36 H LEU 36 6.990 -2.311 9.957 30 HA LEU 36 HA LEU 36 5.796 -4.778 11.098 31 1HB LEU 36 2HB LEU 36 4.903 -3.533 12.931 32 2HB LEU 36 3HB LEU 36 6.657 -3.460 12.969 33 HG LEU 36 HG LEU 36 5.034 -1.179 11.752 34 1HD1 LEU 36 1HD1 LEU 36 5.022 -0.106 13.968 35 2HD1 LEU 36 2HD1 LEU 36 4.078 -1.601 13.969 36 3HD1 LEU 36 3HD1 LEU 36 5.703 -1.578 14.693 37 1HD2 LEU 36 1HD2 LEU 36 7.758 -1.322 13.141 38 2HD2 LEU 36 2HD2 LEU 36 7.481 -1.017 11.415 39 3HD2 LEU 36 3HD2 LEU 36 6.967 0.170 12.605 40 H PHE 37 H PHE 37 3.431 -4.466 11.458 41 HA PHE 37 HA PHE 37 2.220 -3.590 8.938 42 1HB PHE 37 2HB PHE 37 1.075 -5.016 11.370 43 2HB PHE 37 3HB PHE 37 0.206 -4.686 9.885 44 HD1 PHE 37 1HD PHE 37 0.559 -6.004 7.864 45 HD2 PHE 37 2HD PHE 37 2.875 -6.766 11.423 46 HE1 PHE 37 1HE PHE 37 1.332 -8.155 6.910 47 HE2 PHE 37 2HE PHE 37 3.595 -8.938 10.491 48 HZ PHE 37 HZ PHE 37 2.815 -9.653 8.233 49 H TYR 38 H TYR 38 0.978 -1.780 8.687 50 HA TYR 38 HA TYR 38 0.206 -0.183 11.051 51 1HB TYR 38 2HB TYR 38 2.590 0.094 9.648 52 2HB TYR 38 3HB TYR 38 1.533 1.117 8.699 53 HD1 TYR 38 HD1 TYR 38 1.672 3.329 9.306 54 HD2 TYR 38 HD2 TYR 38 2.323 0.371 12.335 55 HE1 TYR 38 HE1 TYR 38 2.316 5.121 10.895 56 HE2 TYR 38 HE2 TYR 38 2.735 2.137 13.994 57 HH TYR 38 HH TYR 38 2.832 4.395 14.364 58 H THR 39 H THR 39 -1.426 1.477 10.504 59 HA THR 39 HA THR 39 -3.222 0.361 8.486 60 HB THR 39 HB THR 39 -4.952 1.628 9.480 61 HG1 THR 39 1HG THR 39 -3.322 2.818 11.427 62 1HG2 THR 39 1HG2 THR 39 -4.266 -0.450 10.630 63 2HG2 THR 39 2HG2 THR 39 -3.220 0.489 11.720 64 3HG2 THR 39 3HG2 THR 39 -4.978 0.739 11.734 65 HA PRO 40 HA PRO 40 -2.422 3.594 5.512 66 1HB PRO 40 2HB PRO 40 -5.104 3.737 4.492 67 2HB PRO 40 3HB PRO 40 -3.658 2.988 3.779 68 1HG PRO 40 2HG PRO 40 -5.902 1.706 5.144 69 2HG PRO 40 3HG PRO 40 -4.605 0.946 4.199 70 1HD PRO 40 2HD PRO 40 -4.937 0.886 7.016 71 2HD PRO 40 3HD PRO 40 -3.470 0.408 6.107 72 H SER 41 H SER 41 -5.386 3.821 7.518 73 HA SER 41 HA SER 41 -5.881 6.574 7.534 74 1HB SER 41 2HB SER 41 -7.129 4.700 8.848 75 2HB SER 41 3HB SER 41 -5.825 4.763 10.027 76 HG SER 41 HG SER 41 -7.573 6.062 10.628 77 H GLU 42 H GLU 42 -3.268 4.771 9.195 78 HA GLU 42 HA GLU 42 -2.463 7.032 10.738 79 1HB GLU 42 2HB GLU 42 -1.833 4.338 10.768 80 2HB GLU 42 3HB GLU 42 -0.426 4.973 9.946 81 1HG GLU 42 2HG GLU 42 0.303 5.338 12.045 82 2HG GLU 42 3HG GLU 42 -0.688 6.821 11.924 83 H ILE 43 H ILE 43 -1.187 5.518 7.768 84 HA ILE 43 HA ILE 43 0.887 7.501 7.496 85 HB ILE 43 HB ILE 43 1.459 6.212 5.391 86 1HG1 ILE 43 2HG1 ILE 43 -0.423 4.136 6.500 87 2HG1 ILE 43 3HG1 ILE 43 -0.854 5.210 5.146 88 1HG2 ILE 43 1HG2 ILE 43 1.330 5.020 8.154 89 2HG2 ILE 43 2HG2 ILE 43 2.368 4.345 6.875 90 3HG2 ILE 43 3HG2 ILE 43 2.643 5.978 7.486 91 1HD1 ILE 43 1HD1 ILE 43 1.472 3.225 5.206 92 2HD1 ILE 43 2HD1 ILE 43 -0.044 3.063 4.320 93 3HD1 ILE 43 3HD1 ILE 43 1.105 4.341 3.875 94 H VAL 44 H VAL 44 -2.203 8.045 6.828 95 HA VAL 44 HA VAL 44 -1.660 9.816 4.503 96 HB VAL 44 HB VAL 44 -4.113 10.226 4.602 97 1HG1 VAL 44 1HG1 VAL 44 -4.735 8.043 3.699 98 2HG1 VAL 44 2HG1 VAL 44 -3.211 8.636 3.050 99 3HG1 VAL 44 3HG1 VAL 44 -3.214 7.349 4.284 100 1HG2 VAL 44 1HG2 VAL 44 -5.577 8.850 5.900 101 2HG2 VAL 44 2HG2 VAL 44 -4.206 8.020 6.626 102 3HG2 VAL 44 3HG2 VAL 44 -4.504 9.734 6.979 103 H ASN 45 H ASN 45 -2.047 9.966 8.028 104 HA ASN 45 HA ASN 45 -2.918 12.796 7.871 105 1HB ASN 45 2HB ASN 45 -2.620 10.822 10.159 106 2HB ASN 45 3HB ASN 45 -2.872 12.556 10.412 107 1HD2 ASN 45 1HD2 ASN 45 -4.509 9.540 9.437 108 2HD2 ASN 45 2HD2 ASN 45 -6.067 10.318 9.337 109 H GLY 46 H GLY 46 -0.599 11.542 10.227 110 1HA GLY 46 1HA GLY 46 1.340 13.723 9.472 111 2HA GLY 46 2HA GLY 46 0.903 13.297 11.132 112 H LYS 47 H LYS 47 1.878 11.622 8.116 113 HA LYS 47 HA LYS 47 4.158 10.287 9.159 114 1HB LYS 47 2HB LYS 47 1.484 8.900 9.017 115 2HB LYS 47 3HB LYS 47 2.918 7.947 8.661 116 1HG LYS 47 2HG LYS 47 3.417 7.630 10.753 117 2HG LYS 47 3HG LYS 47 3.430 9.345 11.103 118 1HD LYS 47 2HD LYS 47 0.839 9.173 11.201 119 2HD LYS 47 3HD LYS 47 1.093 7.431 11.084 120 1HE LYS 47 2HE LYS 47 2.753 8.545 13.220 121 2HE LYS 47 3HE LYS 47 1.130 9.199 13.405 122 1HZ LYS 47 1HZ LYS 47 1.754 6.297 13.367 123 2HZ LYS 47 2HZ LYS 47 1.466 7.206 14.688 124 3HZ LYS 47 3HZ LYS 47 0.267 6.935 13.662 125 H THR 48 H THR 48 3.930 8.197 7.019 126 HA THR 48 HA THR 48 5.415 9.002 5.154 127 HB THR 48 HB THR 48 2.925 7.437 4.492 128 HG1 THR 48 1HG THR 48 4.235 5.703 5.411 129 1HG2 THR 48 1HG2 THR 48 4.263 6.226 3.010 130 2HG2 THR 48 2HG2 THR 48 4.617 7.907 2.648 131 3HG2 THR 48 3HG2 THR 48 5.780 6.978 3.615 132 H ASP 49 H ASP 49 1.831 9.427 4.421 133 HA ASP 49 HA ASP 49 2.285 10.467 1.888 134 1HB ASP 49 2HB ASP 49 0.093 9.740 2.846 135 2HB ASP 49 3HB ASP 49 0.019 11.280 3.740 136 H THR 50 H THR 50 2.302 12.151 5.020 137 HA THR 50 HA THR 50 2.881 14.752 3.738 138 HB THR 50 HB THR 50 2.738 14.174 6.706 139 HG1 THR 50 1HG THR 50 0.524 14.268 6.564 140 1HG2 THR 50 1HG2 THR 50 1.897 16.505 6.768 141 2HG2 THR 50 2HG2 THR 50 3.448 16.473 5.904 142 3HG2 THR 50 3HG2 THR 50 1.933 16.582 4.994 143 H GLY 51 H GLY 51 4.514 12.042 5.170 144 1HA GLY 51 1HA GLY 51 6.721 11.506 5.305 145 2HA GLY 51 2HA GLY 51 7.061 12.927 4.307 146 H VAL 52 H VAL 52 5.472 13.066 7.463 147 HA VAL 52 HA VAL 52 7.502 14.979 8.341 148 HB VAL 52 HB VAL 52 6.042 15.242 10.349 149 1HG1 VAL 52 1HG1 VAL 52 5.942 16.729 8.411 150 2HG1 VAL 52 2HG1 VAL 52 4.835 15.618 7.581 151 3HG1 VAL 52 3HG1 VAL 52 4.310 16.467 9.050 152 1HG2 VAL 52 1HG2 VAL 52 3.732 14.444 10.240 153 2HG2 VAL 52 2HG2 VAL 52 4.081 13.480 8.801 154 3HG2 VAL 52 3HG2 VAL 52 4.826 13.070 10.366 155 H LYS 53 H LYS 53 6.331 11.897 9.803 156 HA LYS 53 HA LYS 53 8.801 11.779 11.375 157 1HB LYS 53 2HB LYS 53 6.129 10.463 11.480 158 2HB LYS 53 3HB LYS 53 7.502 9.489 12.034 159 1HG LYS 53 2HG LYS 53 7.053 12.337 12.988 160 2HG LYS 53 3HG LYS 53 6.277 10.941 13.755 161 1HD LYS 53 2HD LYS 53 8.436 9.889 14.205 162 2HD LYS 53 3HD LYS 53 9.313 11.202 13.398 163 1HE LYS 53 2HE LYS 53 8.534 12.833 15.032 164 2HE LYS 53 3HE LYS 53 7.457 11.632 15.758 165 1HZ LYS 53 1HZ LYS 53 9.427 10.392 16.432 166 2HZ LYS 53 2HZ LYS 53 10.414 11.511 15.738 167 3HZ LYS 53 3HZ LYS 53 9.487 11.920 17.030 168 HA PRO 54 HA PRO 54 9.795 7.954 8.979 169 1HB PRO 54 2HB PRO 54 8.187 6.711 7.177 170 2HB PRO 54 3HB PRO 54 7.954 6.532 8.943 171 1HG PRO 54 2HG PRO 54 6.519 8.408 7.060 172 2HG PRO 54 3HG PRO 54 5.789 7.318 8.271 173 1HD PRO 54 2HD PRO 54 6.301 9.993 8.729 174 2HD PRO 54 3HD PRO 54 6.382 8.749 10.027 175 H GLU 55 H GLU 55 11.322 8.280 7.398 176 HA GLU 55 HA GLU 55 10.854 10.102 5.129 177 1HB GLU 55 2HB GLU 55 13.246 9.435 4.621 178 2HB GLU 55 3HB GLU 55 13.028 10.292 6.147 179 1HG GLU 55 2HG GLU 55 13.310 8.279 7.441 180 2HG GLU 55 3HG GLU 55 13.118 7.256 5.999 181 H ALA 56 H ALA 56 11.471 9.219 2.935 182 HA ALA 56 HA ALA 56 10.253 6.629 2.447 183 1HB ALA 56 1HB ALA 56 10.903 7.011 0.076 184 2HB ALA 56 2HB ALA 56 10.038 8.394 0.753 185 3HB ALA 56 3HB ALA 56 11.803 8.462 0.564 186 H GLY 57 H GLY 57 11.581 4.827 1.348 187 1HA GLY 57 1HA GLY 57 13.608 3.735 0.938 188 2HA GLY 57 2HA GLY 57 14.486 4.862 1.964 189 H GLN 58 H GLN 58 11.640 3.846 3.514 190 HA GLN 58 HA GLN 58 13.133 1.931 5.260 191 1HB GLN 58 2HB GLN 58 10.663 3.641 5.745 192 2HB GLN 58 3HB GLN 58 11.354 2.483 6.893 193 1HG GLN 58 2HG GLN 58 13.473 3.772 6.950 194 2HG GLN 58 3HG GLN 58 12.793 4.956 5.821 195 1HE2 GLN 58 1HE2 GLN 58 10.736 6.082 6.511 196 2HE2 GLN 58 2HE2 GLN 58 10.418 6.223 8.244 197 H ARG 59 H ARG 59 11.895 0.062 5.975 198 HA ARG 59 HA ARG 59 9.818 -0.829 4.026 199 1HB ARG 59 2HB ARG 59 11.562 -2.406 5.977 200 2HB ARG 59 3HB ARG 59 10.152 -3.040 5.117 201 1HG ARG 59 2HG ARG 59 11.489 -1.951 3.027 202 2HG ARG 59 3HG ARG 59 12.870 -2.309 4.048 203 1HD ARG 59 2HD ARG 59 10.783 -4.493 3.667 204 2HD ARG 59 3HD ARG 59 11.682 -4.058 2.255 205 HE ARG 59 HE ARG 59 12.632 -5.514 4.580 206 1HH1 ARG 59 2HH2 ARG 59 13.652 -3.392 1.981 207 2HH1 ARG 59 1HH2 ARG 59 15.217 -4.109 1.746 208 1HH2 ARG 59 1HH1 ARG 59 14.735 -6.503 4.357 209 2HH2 ARG 59 2HH1 ARG 59 15.855 -5.906 3.179 210 H ILE 60 H ILE 60 7.783 -1.024 4.658 211 HA ILE 60 HA ILE 60 7.097 -1.584 7.417 212 HB ILE 60 HB ILE 60 5.364 0.154 7.597 213 1HG1 ILE 60 2HG1 ILE 60 6.675 1.950 5.639 214 2HG1 ILE 60 3HG1 ILE 60 5.682 0.677 4.916 215 1HG2 ILE 60 1HG2 ILE 60 8.127 1.433 7.359 216 2HG2 ILE 60 2HG2 ILE 60 6.752 2.033 8.288 217 3HG2 ILE 60 3HG2 ILE 60 7.527 0.509 8.752 218 1HD1 ILE 60 1HD1 ILE 60 4.377 2.726 5.279 219 2HD1 ILE 60 2HD1 ILE 60 3.738 1.373 6.233 220 3HD1 ILE 60 3HD1 ILE 60 4.703 2.646 7.023 221 H ARG 61 H ARG 61 4.556 -1.986 7.412 222 HA ARG 61 HA ARG 61 3.764 -2.885 4.684 223 1HB ARG 61 2HB ARG 61 2.687 -4.395 7.027 224 2HB ARG 61 3HB ARG 61 3.023 -4.920 5.385 225 1HG ARG 61 2HG ARG 61 5.490 -4.690 5.916 226 2HG ARG 61 3HG ARG 61 5.042 -4.300 7.574 227 1HD ARG 61 2HD ARG 61 3.935 -6.489 7.799 228 2HD ARG 61 3HD ARG 61 4.633 -6.985 6.242 229 HE ARG 61 HE ARG 61 6.607 -5.757 7.955 230 1HH1 ARG 61 2HH2 ARG 61 5.038 -8.821 7.351 231 2HH1 ARG 61 1HH2 ARG 61 6.120 -9.778 8.322 232 1HH2 ARG 61 1HH1 ARG 61 7.792 -6.867 9.586 233 2HH2 ARG 61 2HH1 ARG 61 7.805 -8.612 9.604 234 H VAL 62 H VAL 62 1.896 -2.152 3.955 235 HA VAL 62 HA VAL 62 0.187 -0.481 5.734 236 HB VAL 62 HB VAL 62 0.807 0.674 3.757 237 1HG1 VAL 62 1HG1 VAL 62 1.428 -1.207 2.235 238 2HG1 VAL 62 2HG1 VAL 62 -0.307 -1.568 2.021 239 3HG1 VAL 62 3HG1 VAL 62 0.361 -0.031 1.479 240 1HG2 VAL 62 1HG2 VAL 62 -2.031 -0.362 3.312 241 2HG2 VAL 62 2HG2 VAL 62 -1.574 0.884 4.499 242 3HG2 VAL 62 3HG2 VAL 62 -1.358 1.177 2.763 243 H GLY 63 H GLY 63 -1.507 -1.529 6.668 244 1HA GLY 63 1HA GLY 63 -2.812 -3.776 5.156 245 2HA GLY 63 2HA GLY 63 -2.475 -3.852 6.882 246 H GLY 64 H GLY 64 -4.804 -3.200 4.577 247 1HA GLY 64 1HA GLY 64 -6.677 -1.950 6.368 248 2HA GLY 64 2HA GLY 64 -6.086 -0.829 5.119 249 H MET 65 H MET 65 -8.162 -0.812 4.040 250 HA MET 65 HA MET 65 -8.896 -3.354 2.674 251 1HB MET 65 2HB MET 65 -11.205 -2.766 2.780 252 2HB MET 65 3HB MET 65 -10.494 -2.916 4.392 253 1HG MET 65 2HG MET 65 -10.335 -0.401 4.503 254 2HG MET 65 3HG MET 65 -11.078 -0.327 2.905 255 1HE MET 65 1HE MET 65 -12.076 -2.737 5.927 256 2HE MET 65 2HE MET 65 -11.472 -1.210 6.618 257 3HE MET 65 3HE MET 65 -13.193 -1.640 6.772 258 H VAL 66 H VAL 66 -9.252 -3.294 0.540 259 HA VAL 66 HA VAL 66 -8.465 -0.717 -0.756 260 HB VAL 66 HB VAL 66 -7.365 -2.865 -1.423 261 1HG1 VAL 66 1HG1 VAL 66 -9.507 -4.228 -1.636 262 2HG1 VAL 66 2HG1 VAL 66 -9.848 -3.293 -3.111 263 3HG1 VAL 66 3HG1 VAL 66 -8.376 -4.285 -2.994 264 1HG2 VAL 66 1HG2 VAL 66 -7.706 -2.161 -3.949 265 2HG2 VAL 66 2HG2 VAL 66 -8.614 -0.826 -3.295 266 3HG2 VAL 66 3HG2 VAL 66 -6.926 -1.066 -2.802 267 H THR 67 H THR 67 -9.782 0.536 -1.913 268 HA THR 67 HA THR 67 -12.364 1.025 -1.664 269 HB THR 67 HB THR 67 -10.852 1.053 -4.281 270 HG1 THR 67 1HG THR 67 -10.498 3.012 -2.330 271 1HG2 THR 67 1HG2 THR 67 -12.847 3.018 -3.073 272 2HG2 THR 67 2HG2 THR 67 -11.791 3.396 -4.450 273 3HG2 THR 67 3HG2 THR 67 -12.988 2.113 -4.604 274 H VAL 68 H VAL 68 -11.694 -0.643 -4.773 275 HA VAL 68 HA VAL 68 -13.248 -2.818 -4.596 276 HB VAL 68 HB VAL 68 -15.247 -1.620 -3.923 277 1HG1 VAL 68 1HG1 VAL 68 -14.759 0.297 -6.252 278 2HG1 VAL 68 2HG1 VAL 68 -16.212 0.239 -5.238 279 3HG1 VAL 68 3HG1 VAL 68 -14.664 0.686 -4.524 280 1HG2 VAL 68 1HG2 VAL 68 -16.772 -2.132 -5.586 281 2HG2 VAL 68 2HG2 VAL 68 -15.535 -2.077 -6.866 282 3HG2 VAL 68 3HG2 VAL 68 -15.472 -3.349 -5.611 283 H GLY 69 H GLY 69 -12.527 0.058 -6.557 284 1HA GLY 69 1HA GLY 69 -11.646 -1.694 -8.789 285 2HA GLY 69 2HA GLY 69 -12.912 -0.500 -9.088 286 H SER 70 H SER 70 -9.931 -0.462 -7.081 287 HA SER 70 HA SER 70 -9.198 2.177 -8.340 288 1HB SER 70 2HB SER 70 -8.413 1.034 -5.640 289 2HB SER 70 3HB SER 70 -7.872 2.583 -6.340 290 HG SER 70 HG SER 70 -9.748 2.635 -4.918 291 H MET 71 H MET 71 -8.274 -1.179 -8.214 292 HA MET 71 HA MET 71 -5.494 -0.873 -8.784 293 1HB MET 71 2HB MET 71 -6.421 -3.030 -8.320 294 2HB MET 71 3HB MET 71 -7.575 -2.908 -9.654 295 1HG MET 71 2HG MET 71 -5.680 -4.432 -10.159 296 2HG MET 71 3HG MET 71 -5.902 -3.121 -11.311 297 1HE MET 71 1HE MET 71 -2.403 -3.408 -8.320 298 2HE MET 71 2HE MET 71 -4.103 -3.351 -7.797 299 3HE MET 71 3HE MET 71 -3.491 -4.751 -8.711 300 H VAL 72 H VAL 72 -4.450 0.115 -10.462 301 HA VAL 72 HA VAL 72 -5.637 -0.243 -13.148 302 HB VAL 72 HB VAL 72 -4.952 1.907 -13.943 303 1HG1 VAL 72 1HG1 VAL 72 -7.242 1.677 -12.986 304 2HG1 VAL 72 2HG1 VAL 72 -6.638 2.304 -11.435 305 3HG1 VAL 72 3HG1 VAL 72 -6.608 3.328 -12.880 306 1HG2 VAL 72 1HG2 VAL 72 -4.250 3.734 -12.407 307 2HG2 VAL 72 2HG2 VAL 72 -4.072 2.539 -11.104 308 3HG2 VAL 72 3HG2 VAL 72 -3.054 2.446 -12.573 309 H ARG 73 H ARG 73 -4.098 -0.719 -14.739 310 HA ARG 73 HA ARG 73 -1.380 -1.328 -13.713 311 1HB ARG 73 2HB ARG 73 -1.370 -3.320 -15.094 312 2HB ARG 73 3HB ARG 73 -2.622 -3.429 -13.842 313 1HG ARG 73 2HG ARG 73 -4.366 -3.362 -15.344 314 2HG ARG 73 3HG ARG 73 -3.472 -2.472 -16.573 315 1HD ARG 73 2HD ARG 73 -2.658 -4.281 -17.579 316 2HD ARG 73 3HD ARG 73 -2.197 -5.094 -16.105 317 HE ARG 73 HE ARG 73 -4.606 -5.477 -17.657 318 1HH1 ARG 73 2HH2 ARG 73 -3.336 -5.617 -14.389 319 2HH1 ARG 73 1HH2 ARG 73 -4.316 -6.949 -13.856 320 1HH2 ARG 73 1HH1 ARG 73 -5.966 -7.253 -17.013 321 2HH2 ARG 73 2HH1 ARG 73 -5.876 -7.882 -15.400 322 H ASP 74 H ASP 74 0.365 -1.283 -15.317 323 HA ASP 74 HA ASP 74 -0.166 0.601 -17.486 324 1HB ASP 74 2HB ASP 74 2.237 -0.930 -16.446 325 2HB ASP 74 3HB ASP 74 2.270 -0.192 -18.051 326 HA PRO 75 HA PRO 75 -0.928 -2.535 -20.632 327 1HB PRO 75 2HB PRO 75 0.281 -1.412 -22.850 328 2HB PRO 75 3HB PRO 75 -1.256 -0.805 -22.172 329 1HG PRO 75 2HG PRO 75 1.532 0.263 -21.652 330 2HG PRO 75 3HG PRO 75 0.071 1.188 -22.101 331 1HD PRO 75 2HD PRO 75 0.867 0.989 -19.528 332 2HD PRO 75 3HD PRO 75 -0.868 0.917 -19.931 333 H ASN 76 H ASN 76 2.273 -1.365 -19.858 334 HA ASN 76 HA ASN 76 3.960 -3.320 -20.890 335 1HB ASN 76 2HB ASN 76 3.945 -2.212 -18.043 336 2HB ASN 76 3HB ASN 76 5.297 -3.022 -18.845 337 1HD2 ASN 76 1HD2 ASN 76 4.317 0.024 -17.977 338 2HD2 ASN 76 2HD2 ASN 76 5.101 0.904 -19.259 339 H SER 77 H SER 77 1.507 -3.629 -18.332 340 HA SER 77 HA SER 77 0.548 -5.348 -17.351 341 1HB SER 77 2HB SER 77 2.042 -7.192 -19.263 342 2HB SER 77 3HB SER 77 0.645 -7.588 -18.278 343 HG SER 77 HG SER 77 0.699 -5.525 -20.262 344 H LEU 78 H LEU 78 3.312 -4.386 -16.596 345 HA LEU 78 HA LEU 78 3.804 -6.449 -14.490 346 1HB LEU 78 2HB LEU 78 6.149 -5.315 -14.408 347 2HB LEU 78 3HB LEU 78 5.827 -6.659 -15.484 348 HG LEU 78 HG LEU 78 5.362 -3.935 -16.657 349 1HD1 LEU 78 1HD1 LEU 78 8.156 -4.959 -16.076 350 2HD1 LEU 78 2HD1 LEU 78 7.730 -3.597 -17.140 351 3HD1 LEU 78 3HD1 LEU 78 7.393 -3.501 -15.402 352 1HD2 LEU 78 1HD2 LEU 78 6.226 -5.072 -18.644 353 2HD2 LEU 78 2HD2 LEU 78 6.884 -6.392 -17.658 354 3HD2 LEU 78 3HD2 LEU 78 5.136 -6.211 -17.829 355 H HIS 79 H HID 79 3.812 -2.885 -15.277 356 HA HIS 79 HA HID 79 4.268 -2.311 -12.423 357 1HB HIS 79 2HB HID 79 3.847 -0.566 -14.873 358 2HB HIS 79 3HB HID 79 3.986 0.062 -13.234 359 HD1 HIS 79 1HD HID 79 6.462 -0.672 -11.989 360 HD2 HIS 79 2HD HID 79 6.086 -0.662 -16.186 361 HE1 HIS 79 1HE HID 79 8.823 -0.504 -12.937 362 H VAL 80 H VAL 80 2.576 -1.984 -10.992 363 HA VAL 80 HA VAL 80 0.029 -1.044 -12.164 364 HB VAL 80 HB VAL 80 -1.258 -2.535 -10.824 365 1HG1 VAL 80 1HG1 VAL 80 0.640 -4.388 -12.257 366 2HG1 VAL 80 2HG1 VAL 80 -1.108 -4.574 -12.001 367 3HG1 VAL 80 3HG1 VAL 80 -0.478 -3.323 -13.096 368 1HG2 VAL 80 1HG2 VAL 80 1.240 -3.970 -9.917 369 2HG2 VAL 80 2HG2 VAL 80 0.208 -2.912 -8.902 370 3HG2 VAL 80 3HG2 VAL 80 -0.459 -4.398 -9.586 371 H GLN 81 H GLN 81 -1.358 -0.048 -10.614 372 HA GLN 81 HA GLN 81 -0.141 0.603 -8.010 373 1HB GLN 81 2HB GLN 81 -0.723 3.078 -8.463 374 2HB GLN 81 3HB GLN 81 0.770 2.430 -9.161 375 1HG GLN 81 2HG GLN 81 -0.087 2.304 -11.340 376 2HG GLN 81 3HG GLN 81 -1.758 2.421 -10.775 377 1HE2 GLN 81 1HE2 GLN 81 -2.678 4.468 -10.363 378 2HE2 GLN 81 2HE2 GLN 81 -1.830 5.948 -10.781 379 H PHE 82 H PHE 82 -1.644 1.217 -6.443 380 HA PHE 82 HA PHE 82 -4.503 1.256 -7.156 381 1HB PHE 82 2HB PHE 82 -5.017 -0.746 -5.867 382 2HB PHE 82 3HB PHE 82 -3.938 -1.121 -7.194 383 HD1 PHE 82 1HD PHE 82 -4.252 -0.948 -3.544 384 HD2 PHE 82 2HD PHE 82 -1.541 -1.742 -6.792 385 HE1 PHE 82 1HE PHE 82 -2.878 -2.395 -2.058 386 HE2 PHE 82 2HE PHE 82 -0.174 -3.173 -5.303 387 HZ PHE 82 HZ PHE 82 -0.910 -3.588 -2.951 388 H ALA 83 H ALA 83 -5.826 2.007 -5.449 389 HA ALA 83 HA ALA 83 -4.338 3.354 -3.264 390 1HB ALA 83 1HB ALA 83 -5.677 4.799 -4.729 391 2HB ALA 83 2HB ALA 83 -7.138 3.870 -4.316 392 3HB ALA 83 3HB ALA 83 -6.285 4.790 -3.064 393 H VAL 84 H VAL 84 -4.675 2.817 -1.162 394 HA VAL 84 HA VAL 84 -6.781 0.780 -0.496 395 HB VAL 84 HB VAL 84 -4.039 1.047 0.805 396 1HG1 VAL 84 1HG1 VAL 84 -5.841 0.105 2.273 397 2HG1 VAL 84 2HG1 VAL 84 -6.182 -1.118 1.034 398 3HG1 VAL 84 3HG1 VAL 84 -4.619 -1.102 1.866 399 1HG2 VAL 84 1HG2 VAL 84 -3.724 0.174 -1.464 400 2HG2 VAL 84 2HG2 VAL 84 -3.498 -1.105 -0.262 401 3HG2 VAL 84 3HG2 VAL 84 -5.010 -1.031 -1.195 402 H HIS 85 H HID 85 -8.058 1.311 1.285 403 HA HIS 85 HA HID 85 -7.359 3.784 2.783 404 1HB HIS 85 2HB HID 85 -9.621 4.494 2.838 405 2HB HIS 85 3HB HID 85 -9.208 4.191 1.164 406 HD1 HIS 85 1HD HID 85 -11.883 3.383 3.563 407 HD2 HIS 85 2HD HID 85 -10.054 1.665 0.195 408 HE1 HIS 85 1HE HID 85 -13.559 1.725 2.595 409 H ASP 86 H ASP 86 -9.055 3.833 4.743 410 HA ASP 86 HA ASP 86 -8.788 1.167 6.091 411 1HB ASP 86 2HB ASP 86 -7.016 2.731 6.753 412 2HB ASP 86 3HB ASP 86 -8.194 3.966 7.159 413 H SER 87 H SER 87 -10.069 4.284 7.022 414 HA SER 87 HA SER 87 -12.878 3.480 6.966 415 1HB SER 87 2HB SER 87 -12.017 2.361 9.015 416 2HB SER 87 3HB SER 87 -11.404 3.895 9.623 417 HG SER 87 HG SER 87 -13.618 4.644 9.588 418 H LEU 88 H LEU 88 -10.438 5.719 8.404 419 HA LEU 88 HA LEU 88 -12.177 7.953 8.104 420 1HB LEU 88 2HB LEU 88 -9.286 7.676 8.992 421 2HB LEU 88 3HB LEU 88 -10.038 9.255 8.789 422 HG LEU 88 HG LEU 88 -11.837 8.658 10.378 423 1HD1 LEU 88 1HD1 LEU 88 -11.343 6.826 12.022 424 2HD1 LEU 88 2HD1 LEU 88 -11.788 6.223 10.429 425 3HD1 LEU 88 3HD1 LEU 88 -10.078 6.225 10.932 426 1HD2 LEU 88 1HD2 LEU 88 -8.982 8.555 11.431 427 2HD2 LEU 88 2HD2 LEU 88 -9.887 10.023 11.004 428 3HD2 LEU 88 3HD2 LEU 88 -10.424 9.020 12.359 429 H GLY 89 H GLY 89 -12.076 6.872 5.614 430 1HA GLY 89 1HA GLY 89 -11.690 7.337 3.396 431 2HA GLY 89 2HA GLY 89 -11.610 9.026 3.928 432 H GLY 90 H GLY 90 -9.254 6.754 5.162 433 1HA GLY 90 1HA GLY 90 -7.141 8.473 4.234 434 2HA GLY 90 2HA GLY 90 -6.994 7.019 5.240 435 H GLU 91 H GLU 91 -8.013 7.742 1.843 436 HA GLU 91 HA GLU 91 -6.928 5.296 0.837 437 1HB GLU 91 2HB GLU 91 -7.863 7.871 -0.475 438 2HB GLU 91 3HB GLU 91 -6.956 6.681 -1.406 439 1HG GLU 91 2HG GLU 91 -8.568 4.912 -0.785 440 2HG GLU 91 3HG GLU 91 -9.575 6.144 0.032 441 H ILE 92 H ILE 92 -4.764 4.917 1.203 442 HA ILE 92 HA ILE 92 -2.780 6.980 0.378 443 HB ILE 92 HB ILE 92 -2.759 5.221 2.533 444 1HG1 ILE 92 2HG1 ILE 92 -1.528 7.227 2.586 445 2HG1 ILE 92 3HG1 ILE 92 -0.421 5.897 2.868 446 1HG2 ILE 92 1HG2 ILE 92 -0.802 4.061 0.518 447 2HG2 ILE 92 2HG2 ILE 92 -0.968 3.641 2.224 448 3HG2 ILE 92 3HG2 ILE 92 -2.290 3.284 1.110 449 1HD1 ILE 92 1HD1 ILE 92 -0.671 7.610 0.366 450 2HD1 ILE 92 2HD1 ILE 92 0.670 7.506 1.500 451 3HD1 ILE 92 3HD1 ILE 92 0.322 6.129 0.438 452 H LEU 93 H LEU 93 -1.127 6.224 -1.234 453 HA LEU 93 HA LEU 93 -2.413 4.409 -3.228 454 1HB LEU 93 2HB LEU 93 -1.085 7.023 -3.410 455 2HB LEU 93 3HB LEU 93 -0.327 5.843 -4.481 456 HG LEU 93 HG LEU 93 -3.331 6.268 -4.452 457 1HD1 LEU 93 1HD1 LEU 93 -3.019 7.741 -6.397 458 2HD1 LEU 93 2HD1 LEU 93 -2.213 8.424 -4.974 459 3HD1 LEU 93 3HD1 LEU 93 -1.255 7.614 -6.238 460 1HD2 LEU 93 1HD2 LEU 93 -1.384 5.170 -6.548 461 2HD2 LEU 93 2HD2 LEU 93 -2.432 4.173 -5.526 462 3HD2 LEU 93 3HD2 LEU 93 -3.151 5.270 -6.714 463 H VAL 94 H VAL 94 -1.378 2.563 -3.753 464 HA VAL 94 HA VAL 94 1.383 2.110 -2.721 465 HB VAL 94 HB VAL 94 -0.838 0.077 -3.182 466 1HG1 VAL 94 1HG1 VAL 94 0.639 -1.382 -1.827 467 2HG1 VAL 94 2HG1 VAL 94 1.460 -0.844 -3.300 468 3HG1 VAL 94 3HG1 VAL 94 1.846 -0.079 -1.741 469 1HG2 VAL 94 1HG2 VAL 94 0.062 1.397 -0.585 470 2HG2 VAL 94 2HG2 VAL 94 -1.551 1.502 -1.320 471 3HG2 VAL 94 3HG2 VAL 94 -0.977 -0.040 -0.684 472 H THR 95 H THR 95 2.845 1.325 -4.209 473 HA THR 95 HA THR 95 1.930 0.916 -7.017 474 HB THR 95 HB THR 95 4.306 1.576 -7.599 475 HG1 THR 95 1HG THR 95 4.469 1.930 -4.875 476 1HG2 THR 95 1HG2 THR 95 2.537 3.142 -8.046 477 2HG2 THR 95 2HG2 THR 95 2.477 3.670 -6.349 478 3HG2 THR 95 3HG2 THR 95 3.896 4.033 -7.355 479 H TYR 96 H TYR 96 2.822 -0.890 -8.063 480 HA TYR 96 HA TYR 96 4.601 -2.694 -6.517 481 1HB TYR 96 2HB TYR 96 2.108 -3.039 -6.036 482 2HB TYR 96 3HB TYR 96 1.960 -3.584 -7.692 483 HD1 TYR 96 HD1 TYR 96 4.270 -5.433 -8.060 484 HD2 TYR 96 HD2 TYR 96 1.733 -4.796 -4.631 485 HE1 TYR 96 HE1 TYR 96 4.351 -7.848 -7.531 486 HE2 TYR 96 HE2 TYR 96 2.061 -7.157 -3.992 487 HH TYR 96 HH TYR 96 3.808 -9.075 -4.685 488 H ASP 97 H ASP 97 6.243 -3.050 -7.954 489 HA ASP 97 HA ASP 97 5.823 -2.535 -10.801 490 1HB ASP 97 2HB ASP 97 8.300 -2.388 -10.760 491 2HB ASP 97 3HB ASP 97 7.508 -1.263 -9.651 492 H ASP 98 H ASP 98 4.632 -4.941 -10.051 493 HA ASP 98 HA ASP 98 5.712 -6.686 -11.933 494 1HB ASP 98 2HB ASP 98 7.248 -7.129 -9.811 495 2HB ASP 98 3HB ASP 98 5.837 -7.977 -9.184 496 H LEU 99 H LEU 99 4.335 -8.878 -11.631 497 HA LEU 99 HA LEU 99 1.546 -7.994 -11.548 498 1HB LEU 99 2HB LEU 99 2.758 -10.757 -11.989 499 2HB LEU 99 3HB LEU 99 1.035 -10.386 -12.020 500 HG LEU 99 HG LEU 99 1.917 -8.478 -13.768 501 1HD1 LEU 99 1HD1 LEU 99 3.715 -10.908 -14.202 502 2HD1 LEU 99 2HD1 LEU 99 3.520 -9.545 -15.322 503 3HD1 LEU 99 3HD1 LEU 99 4.261 -9.283 -13.739 504 1HD2 LEU 99 1HD2 LEU 99 1.113 -9.981 -15.548 505 2HD2 LEU 99 2HD2 LEU 99 1.186 -11.358 -14.424 506 3HD2 LEU 99 3HD2 LEU 99 0.051 -10.020 -14.131 507 H LEU 100 H LEU 100 -0.095 -8.900 -10.279 508 HA LEU 100 HA LEU 100 0.727 -9.221 -7.448 509 1HB LEU 100 2HB LEU 100 -1.766 -8.299 -8.948 510 2HB LEU 100 3HB LEU 100 -1.844 -8.684 -7.241 511 HG LEU 100 HG LEU 100 -1.505 -6.204 -8.037 512 1HD1 LEU 100 1HD1 LEU 100 -1.578 -6.961 -5.703 513 2HD1 LEU 100 2HD1 LEU 100 0.128 -7.416 -5.798 514 3HD1 LEU 100 3HD1 LEU 100 -0.358 -5.704 -5.925 515 1HD2 LEU 100 1HD2 LEU 100 1.390 -7.114 -8.010 516 2HD2 LEU 100 2HD2 LEU 100 0.495 -6.502 -9.419 517 3HD2 LEU 100 3HD2 LEU 100 0.807 -5.462 -8.016 518 HA PRO 101 HA PRO 101 -0.985 -13.424 -7.451 519 1HB PRO 101 2HB PRO 101 -2.000 -13.614 -4.916 520 2HB PRO 101 3HB PRO 101 -0.239 -13.602 -5.238 521 1HG PRO 101 2HG PRO 101 -1.985 -11.236 -4.488 522 2HG PRO 101 3HG PRO 101 -0.471 -11.739 -3.690 523 1HD PRO 101 2HD PRO 101 -0.484 -9.817 -5.588 524 2HD PRO 101 3HD PRO 101 0.837 -11.020 -5.578 525 H ASP 102 H ASP 102 -3.064 -14.268 -7.884 526 HA ASP 102 HA ASP 102 -5.089 -14.065 -8.930 527 1HB ASP 102 2HB ASP 102 -5.544 -13.108 -6.075 528 2HB ASP 102 3HB ASP 102 -6.831 -13.484 -7.242 529 H LEU 103 H LEU 103 -3.674 -11.959 -9.859 530 HA LEU 103 HA LEU 103 -3.658 -9.940 -10.708 531 1HB LEU 103 2HB LEU 103 -5.431 -9.324 -12.060 532 2HB LEU 103 3HB LEU 103 -5.540 -11.072 -11.974 533 HG LEU 103 HG LEU 103 -7.213 -9.781 -9.887 534 1HD1 LEU 103 1HD1 LEU 103 -7.783 -9.028 -12.753 535 2HD1 LEU 103 2HD1 LEU 103 -8.833 -8.744 -11.341 536 3HD1 LEU 103 3HD1 LEU 103 -7.263 -7.931 -11.450 537 1HD2 LEU 103 1HD2 LEU 103 -7.970 -11.510 -12.277 538 2HD2 LEU 103 2HD2 LEU 103 -7.472 -12.141 -10.692 539 3HD2 LEU 103 3HD2 LEU 103 -8.953 -11.181 -10.835 540 H PHE 104 H PHE 104 -4.216 -10.022 -7.716 541 HA PHE 104 HA PHE 104 -4.601 -8.650 -6.005 542 1HB PHE 104 2HB PHE 104 -3.415 -6.862 -7.119 543 2HB PHE 104 3HB PHE 104 -4.859 -6.404 -8.005 544 HD1 PHE 104 1HD PHE 104 -3.401 -6.498 -4.502 545 HD2 PHE 104 2HD PHE 104 -6.469 -4.984 -7.159 546 HE1 PHE 104 1HE PHE 104 -3.911 -4.716 -2.926 547 HE2 PHE 104 2HE PHE 104 -6.769 -3.053 -5.675 548 HZ PHE 104 HZ PHE 104 -5.621 -3.021 -3.434 549 H ARG 105 H ARG 105 -6.373 -9.604 -5.303 550 HA ARG 105 HA ARG 105 -8.994 -9.394 -6.534 551 1HB ARG 105 2HB ARG 105 -8.063 -10.417 -3.820 552 2HB ARG 105 3HB ARG 105 -9.691 -10.635 -4.467 553 1HG ARG 105 2HG ARG 105 -7.367 -11.606 -6.085 554 2HG ARG 105 3HG ARG 105 -7.813 -12.528 -4.654 555 1HD ARG 105 2HD ARG 105 -9.811 -11.788 -6.825 556 2HD ARG 105 3HD ARG 105 -8.910 -13.289 -6.867 557 HE ARG 105 HE ARG 105 -11.107 -12.593 -5.092 558 1HH1 ARG 105 2HH2 ARG 105 -8.365 -14.980 -5.545 559 2HH1 ARG 105 1HH2 ARG 105 -9.180 -16.162 -4.642 560 1HH2 ARG 105 1HH1 ARG 105 -12.069 -14.266 -3.873 561 2HH2 ARG 105 2HH1 ARG 105 -11.258 -15.783 -3.667 562 H GLU 106 H GLU 106 -10.053 -7.414 -6.438 563 HA GLU 106 HA GLU 106 -9.573 -5.585 -4.252 564 1HB GLU 106 2HB GLU 106 -11.395 -5.330 -6.686 565 2HB GLU 106 3HB GLU 106 -11.062 -4.054 -5.512 566 1HG GLU 106 2HG GLU 106 -8.617 -4.345 -5.969 567 2HG GLU 106 3HG GLU 106 -9.052 -5.340 -7.367 568 H GLY 107 H GLY 107 -11.604 -4.287 -3.483 569 1HA GLY 107 1HA GLY 107 -13.428 -4.167 -2.141 570 2HA GLY 107 2HA GLY 107 -14.086 -5.547 -3.036 571 H GLN 108 H GLN 108 -11.127 -5.380 -0.990 572 HA GLN 108 HA GLN 108 -12.249 -6.810 1.218 573 1HB GLN 108 2HB GLN 108 -10.912 -8.875 0.960 574 2HB GLN 108 3HB GLN 108 -12.094 -8.675 -0.327 575 1HG GLN 108 2HG GLN 108 -10.075 -7.586 -1.661 576 2HG GLN 108 3HG GLN 108 -9.077 -8.404 -0.454 577 1HE2 GLN 108 1HE2 GLN 108 -11.730 -8.914 -2.838 578 2HE2 GLN 108 2HE2 GLN 108 -11.389 -10.622 -3.091 579 H GLY 109 H GLY 109 -10.176 -7.579 2.590 580 1HA GLY 109 1HA GLY 109 -8.277 -5.288 2.577 581 2HA GLY 109 2HA GLY 109 -8.673 -6.252 3.981 582 H ILE 110 H ILE 110 -6.176 -5.539 2.362 583 HA ILE 110 HA ILE 110 -4.973 -8.206 2.295 584 HB ILE 110 HB ILE 110 -3.867 -7.841 0.165 585 1HG1 ILE 110 2HG1 ILE 110 -5.073 -5.813 -1.221 586 2HG1 ILE 110 3HG1 ILE 110 -4.959 -5.070 0.368 587 1HG2 ILE 110 1HG2 ILE 110 -6.164 -8.885 0.163 588 2HG2 ILE 110 2HG2 ILE 110 -6.825 -7.306 -0.305 589 3HG2 ILE 110 3HG2 ILE 110 -5.685 -8.142 -1.371 590 1HD1 ILE 110 1HD1 ILE 110 -2.474 -5.795 0.369 591 2HD1 ILE 110 2HD1 ILE 110 -2.727 -6.277 -1.322 592 3HD1 ILE 110 3HD1 ILE 110 -2.918 -4.575 -0.836 593 H VAL 111 H VAL 111 -2.699 -8.015 2.820 594 HA VAL 111 HA VAL 111 -1.978 -5.295 3.845 595 HB VAL 111 HB VAL 111 -0.794 -6.224 5.635 596 1HG1 VAL 111 1HG1 VAL 111 -3.454 -7.716 5.527 597 2HG1 VAL 111 2HG1 VAL 111 -2.584 -7.157 6.965 598 3HG1 VAL 111 3HG1 VAL 111 -3.307 -5.982 5.855 599 1HG2 VAL 111 1HG2 VAL 111 0.137 -8.265 4.742 600 2HG2 VAL 111 2HG2 VAL 111 -0.842 -8.669 6.163 601 3HG2 VAL 111 3HG2 VAL 111 -1.486 -8.971 4.539 602 H ALA 112 H ALA 112 -0.329 -4.362 2.900 603 HA ALA 112 HA ALA 112 1.256 -5.942 0.920 604 1HB ALA 112 1HB ALA 112 -0.402 -4.097 0.129 605 2HB ALA 112 2HB ALA 112 0.815 -2.973 0.751 606 3HB ALA 112 3HB ALA 112 1.258 -4.116 -0.511 607 H GLN 113 H GLN 113 3.425 -5.968 1.173 608 HA GLN 113 HA GLN 113 4.727 -4.051 3.055 609 1HB GLN 113 2HB GLN 113 4.444 -6.261 4.063 610 2HB GLN 113 3HB GLN 113 5.118 -7.051 2.669 611 1HG GLN 113 2HG GLN 113 6.840 -4.983 4.078 612 2HG GLN 113 3HG GLN 113 6.514 -6.497 4.926 613 1HE2 GLN 113 1HE2 GLN 113 6.584 -8.499 3.211 614 2HE2 GLN 113 2HE2 GLN 113 8.135 -8.567 2.420 615 H GLY 114 H GLY 114 6.821 -3.375 2.460 616 1HA GLY 114 1HA GLY 114 8.529 -4.578 0.717 617 2HA GLY 114 2HA GLY 114 7.629 -3.509 -0.356 618 H VAL 115 H VAL 115 8.453 -1.376 -0.471 619 HA VAL 115 HA VAL 115 9.658 -0.257 1.946 620 HB VAL 115 HB VAL 115 11.476 -1.552 0.777 621 1HG1 VAL 115 1HG1 VAL 115 11.178 0.466 -1.483 622 2HG1 VAL 115 2HG1 VAL 115 12.378 -0.830 -1.353 623 3HG1 VAL 115 3HG1 VAL 115 10.670 -1.236 -1.567 624 1HG2 VAL 115 1HG2 VAL 115 12.205 0.262 2.149 625 2HG2 VAL 115 2HG2 VAL 115 13.201 0.179 0.701 626 3HG2 VAL 115 3HG2 VAL 115 11.964 1.433 0.835 627 H LEU 116 H LEU 116 9.867 1.977 1.891 628 HA LEU 116 HA LEU 116 8.050 3.386 0.031 629 1HB LEU 116 2HB LEU 116 9.861 4.199 2.355 630 2HB LEU 116 3HB LEU 116 8.968 5.361 1.352 631 HG LEU 116 HG LEU 116 7.955 4.801 3.580 632 1HD1 LEU 116 1HD1 LEU 116 5.697 4.744 2.624 633 2HD1 LEU 116 2HD1 LEU 116 6.739 5.929 1.787 634 3HD1 LEU 116 3HD1 LEU 116 6.373 4.368 1.039 635 1HD2 LEU 116 1HD2 LEU 116 8.187 2.330 3.605 636 2HD2 LEU 116 2HD2 LEU 116 6.512 2.871 3.727 637 3HD2 LEU 116 3HD2 LEU 116 7.095 2.214 2.199 638 H GLY 117 H GLY 117 8.759 4.674 -1.774 639 1HA GLY 117 1HA GLY 117 11.592 5.578 -1.737 640 2HA GLY 117 2HA GLY 117 11.128 4.416 -2.986 641 H GLU 118 H GLU 118 8.558 6.578 -2.084 642 HA GLU 118 HA GLU 118 9.059 8.287 -4.479 643 1HB GLU 118 2HB GLU 118 6.506 6.823 -3.771 644 2HB GLU 118 3HB GLU 118 6.837 7.764 -5.237 645 1HG GLU 118 2HG GLU 118 7.106 5.621 -6.053 646 2HG GLU 118 3HG GLU 118 8.769 5.899 -5.508 647 H ASP 119 H ASP 119 9.556 9.055 -1.935 648 HA ASP 119 HA ASP 119 8.778 10.148 -0.036 649 1HB ASP 119 2HB ASP 119 10.249 11.492 -1.521 650 2HB ASP 119 3HB ASP 119 8.808 12.228 -2.248 651 H GLY 120 H GLY 120 6.715 8.966 -0.006 652 1HA GLY 120 1HA GLY 120 4.483 10.063 0.887 653 2HA GLY 120 2HA GLY 120 4.316 10.533 -0.810 654 H LYS 121 H LYS 121 5.453 8.190 -2.076 655 HA LYS 121 HA LYS 121 3.099 6.405 -1.619 656 1HB LYS 121 2HB LYS 121 4.448 7.386 -4.087 657 2HB LYS 121 3HB LYS 121 4.135 5.650 -4.041 658 1HG LYS 121 2HG LYS 121 2.215 6.511 -5.016 659 2HG LYS 121 3HG LYS 121 1.763 6.194 -3.356 660 1HD LYS 121 2HD LYS 121 0.833 8.320 -3.642 661 2HD LYS 121 3HD LYS 121 2.364 8.679 -2.869 662 1HE LYS 121 2HE LYS 121 2.068 10.237 -4.671 663 2HE LYS 121 3HE LYS 121 3.366 9.134 -5.149 664 1HZ LYS 121 1HZ LYS 121 1.770 7.954 -6.501 665 2HZ LYS 121 2HZ LYS 121 0.557 8.965 -6.025 666 3HZ LYS 121 3HZ LYS 121 1.810 9.540 -6.921 667 H LEU 122 H LEU 122 3.499 4.112 -2.189 668 HA LEU 122 HA LEU 122 5.963 3.185 -0.798 669 1HB LEU 122 2HB LEU 122 3.226 1.896 -0.567 670 2HB LEU 122 3HB LEU 122 4.681 1.604 0.377 671 HG LEU 122 HG LEU 122 4.202 4.311 0.887 672 1HD1 LEU 122 1HD1 LEU 122 2.156 4.408 -0.283 673 2HD1 LEU 122 2HD1 LEU 122 1.502 3.006 0.600 674 3HD1 LEU 122 3HD1 LEU 122 1.849 4.530 1.451 675 1HD2 LEU 122 1HD2 LEU 122 4.713 2.474 2.512 676 2HD2 LEU 122 2HD2 LEU 122 3.447 3.579 3.068 677 3HD2 LEU 122 3HD2 LEU 122 3.010 1.972 2.434 678 H ALA 123 H ALA 123 7.099 1.569 -1.855 679 HA ALA 123 HA ALA 123 5.829 0.276 -4.212 680 1HB ALA 123 1HB ALA 123 8.134 -0.419 -4.739 681 2HB ALA 123 2HB ALA 123 7.989 1.346 -4.617 682 3HB ALA 123 3HB ALA 123 8.735 0.427 -3.297 683 H ALA 124 H ALA 124 4.491 -1.195 -3.141 684 HA ALA 124 HA ALA 124 5.708 -2.893 -0.983 685 1HB ALA 124 1HB ALA 124 2.813 -2.238 -1.448 686 2HB ALA 124 2HB ALA 124 3.493 -3.235 -0.153 687 3HB ALA 124 3HB ALA 124 3.870 -1.503 -0.217 688 H THR 125 H THR 125 6.644 -4.470 -2.414 689 HA THR 125 HA THR 125 4.934 -5.625 -4.469 690 HB THR 125 HB THR 125 7.247 -5.055 -4.959 691 HG1 THR 125 1HG THR 125 6.158 -7.617 -5.294 692 1HG2 THR 125 1HG2 THR 125 9.069 -6.493 -4.255 693 2HG2 THR 125 2HG2 THR 125 8.320 -5.793 -2.809 694 3HG2 THR 125 3HG2 THR 125 7.989 -7.482 -3.260 695 H GLU 126 H GLU 126 5.211 -6.377 -1.188 696 HA GLU 126 HA GLU 126 4.617 -9.298 -1.652 697 1HB GLU 126 2HB GLU 126 5.814 -7.719 0.635 698 2HB GLU 126 3HB GLU 126 5.172 -9.350 0.860 699 1HG GLU 126 2HG GLU 126 7.190 -8.864 -1.351 700 2HG GLU 126 3HG GLU 126 7.738 -8.950 0.323 701 H VAL 127 H VAL 127 2.371 -9.043 -2.119 702 HA VAL 127 HA VAL 127 0.727 -7.804 0.039 703 HB VAL 127 HB VAL 127 -1.142 -7.884 -1.455 704 1HG1 VAL 127 1HG1 VAL 127 1.277 -6.232 -2.177 705 2HG1 VAL 127 2HG1 VAL 127 -0.254 -6.064 -3.072 706 3HG1 VAL 127 3HG1 VAL 127 -0.209 -5.810 -1.328 707 1HG2 VAL 127 1HG2 VAL 127 -0.859 -8.168 -3.867 708 2HG2 VAL 127 2HG2 VAL 127 0.749 -8.891 -3.585 709 3HG2 VAL 127 3HG2 VAL 127 -0.722 -9.635 -2.930 710 H LEU 128 H LEU 128 -0.330 -9.023 1.410 711 HA LEU 128 HA LEU 128 -0.776 -11.918 0.762 712 1HB LEU 128 2HB LEU 128 -0.460 -10.757 3.520 713 2HB LEU 128 3HB LEU 128 -0.488 -12.448 3.014 714 HG LEU 128 HG LEU 128 1.662 -12.060 3.698 715 1HD1 LEU 128 1HD1 LEU 128 3.118 -12.392 1.884 716 2HD1 LEU 128 2HD1 LEU 128 1.578 -13.171 1.452 717 3HD1 LEU 128 3HD1 LEU 128 2.038 -11.606 0.736 718 1HD2 LEU 128 1HD2 LEU 128 1.883 -9.472 2.126 719 2HD2 LEU 128 2HD2 LEU 128 1.678 -9.633 3.880 720 3HD2 LEU 128 3HD2 LEU 128 3.140 -10.238 3.096 721 H ALA 129 H ALA 129 -2.939 -12.295 0.514 722 HA ALA 129 HA ALA 129 -4.952 -10.429 1.669 723 1HB ALA 129 1HB ALA 129 -5.084 -10.914 -0.737 724 2HB ALA 129 2HB ALA 129 -5.194 -12.651 -0.396 725 3HB ALA 129 3HB ALA 129 -6.489 -11.559 0.133 726 H LYS 130 H LYS 130 -5.243 -11.036 3.825 727 HA LYS 130 HA LYS 130 -6.117 -13.865 4.293 728 1HB LYS 130 2HB LYS 130 -5.004 -13.956 6.367 729 2HB LYS 130 3HB LYS 130 -3.833 -13.624 5.117 730 1HG LYS 130 2HG LYS 130 -5.045 -11.257 6.642 731 2HG LYS 130 3HG LYS 130 -3.998 -12.337 7.528 732 1HD LYS 130 2HD LYS 130 -3.232 -10.739 5.047 733 2HD LYS 130 3HD LYS 130 -2.747 -10.452 6.728 734 1HE LYS 130 2HE LYS 130 -1.985 -13.064 6.485 735 2HE LYS 130 3HE LYS 130 -1.908 -12.582 4.783 736 1HZ LYS 130 1HZ LYS 130 -0.477 -11.330 7.059 737 2HZ LYS 130 2HZ LYS 130 0.196 -12.319 5.933 738 3HZ LYS 130 3HZ LYS 130 -0.355 -10.831 5.494 739 H HIS 131 H HID 131 -7.379 -10.978 4.072 740 HA HIS 131 HA HID 131 -8.714 -10.133 6.267 741 1HB HIS 131 2HB HID 131 -10.659 -9.728 4.749 742 2HB HIS 131 3HB HID 131 -9.123 -9.162 4.115 743 HD1 HIS 131 1HD HID 131 -11.927 -11.552 3.426 744 HD2 HIS 131 2HD HID 131 -7.937 -10.980 2.175 745 HE1 HIS 131 1HE HID 131 -11.599 -12.925 1.263 746 H ASP 132 H ASP 132 -9.691 -13.026 4.361 747 HA ASP 132 HA ASP 132 -10.952 -14.262 6.704 748 1HB ASP 132 2HB ASP 132 -12.391 -13.877 4.030 749 2HB ASP 132 3HB ASP 132 -13.009 -14.734 5.442 Start of MODEL 31 1 H SER 32 H SER 32 18.749 -1.527 13.712 2 HA SER 32 HA SER 32 18.126 -0.935 10.905 3 1HB SER 32 2HB SER 32 18.229 -3.275 11.843 4 2HB SER 32 3HB SER 32 16.737 -2.915 12.745 5 HG SER 32 HG SER 32 16.372 -3.886 10.664 6 H ASN 33 H ASN 33 15.598 -1.143 10.543 7 HA ASN 33 HA ASN 33 14.397 1.230 11.872 8 1HB ASN 33 2HB ASN 33 13.722 0.006 9.169 9 2HB ASN 33 3HB ASN 33 12.969 1.430 9.894 10 1HD2 ASN 33 1HD2 ASN 33 15.740 0.264 8.090 11 2HD2 ASN 33 2HD2 ASN 33 16.508 1.835 7.941 12 H LEU 34 H LEU 34 12.179 1.078 12.537 13 HA LEU 34 HA LEU 34 11.339 -1.623 13.334 14 1HB LEU 34 2HB LEU 34 11.254 0.307 14.864 15 2HB LEU 34 3HB LEU 34 10.068 1.108 13.831 16 HG LEU 34 HG LEU 34 9.390 -1.693 14.689 17 1HD1 LEU 34 1HD1 LEU 34 9.416 0.605 16.679 18 2HD1 LEU 34 2HD1 LEU 34 8.667 -0.987 16.930 19 3HD1 LEU 34 3HD1 LEU 34 10.424 -0.859 16.740 20 1HD2 LEU 34 1HD2 LEU 34 7.794 0.911 14.788 21 2HD2 LEU 34 2HD2 LEU 34 7.802 -0.187 13.400 22 3HD2 LEU 34 3HD2 LEU 34 7.158 -0.737 14.955 23 H ASN 35 H ASN 35 9.247 -2.531 12.685 24 HA ASN 35 HA ASN 35 7.703 -1.215 10.627 25 1HB ASN 35 2HB ASN 35 7.883 -3.006 8.977 26 2HB ASN 35 3HB ASN 35 9.422 -2.172 9.226 27 1HD2 ASN 35 1HD2 ASN 35 8.608 -4.714 11.628 28 2HD2 ASN 35 2HD2 ASN 35 9.753 -5.836 10.945 29 H LEU 36 H LEU 36 5.587 -2.181 10.419 30 HA LEU 36 HA LEU 36 4.944 -4.647 11.711 31 1HB LEU 36 2HB LEU 36 3.573 -3.845 13.490 32 2HB LEU 36 3HB LEU 36 5.179 -3.195 13.692 33 HG LEU 36 HG LEU 36 3.837 -1.484 14.317 34 1HD1 LEU 36 1HD1 LEU 36 4.229 -0.696 11.411 35 2HD1 LEU 36 2HD1 LEU 36 4.033 0.365 12.810 36 3HD1 LEU 36 3HD1 LEU 36 5.487 -0.630 12.674 37 1HD2 LEU 36 1HD2 LEU 36 2.014 -1.671 11.918 38 2HD2 LEU 36 2HD2 LEU 36 1.692 -2.488 13.468 39 3HD2 LEU 36 3HD2 LEU 36 1.811 -0.726 13.403 40 H PHE 37 H PHE 37 2.427 -4.831 11.743 41 HA PHE 37 HA PHE 37 1.414 -3.934 9.105 42 1HB PHE 37 2HB PHE 37 0.560 -6.155 11.002 43 2HB PHE 37 3HB PHE 37 -0.378 -5.656 9.612 44 HD1 PHE 37 1HD PHE 37 0.211 -6.268 7.344 45 HD2 PHE 37 2HD PHE 37 2.739 -7.389 10.657 46 HE1 PHE 37 1HE PHE 37 1.425 -7.878 5.887 47 HE2 PHE 37 2HE PHE 37 3.920 -9.010 9.198 48 HZ PHE 37 HZ PHE 37 3.263 -9.252 6.810 49 H TYR 38 H TYR 38 0.239 -2.178 9.035 50 HA TYR 38 HA TYR 38 -1.888 -1.834 11.086 51 1HB TYR 38 2HB TYR 38 -1.241 0.544 11.475 52 2HB TYR 38 3HB TYR 38 -0.161 -0.655 12.132 53 HD1 TYR 38 HD1 TYR 38 0.356 -0.196 8.505 54 HD2 TYR 38 HD2 TYR 38 1.236 1.463 12.399 55 HE1 TYR 38 HE1 TYR 38 2.361 0.797 7.617 56 HE2 TYR 38 HE2 TYR 38 3.123 2.704 11.411 57 HH TYR 38 HH TYR 38 4.315 3.150 9.489 58 H THR 39 H THR 39 -3.070 0.450 10.545 59 HA THR 39 HA THR 39 -4.368 -0.173 8.079 60 HB THR 39 HB THR 39 -5.742 1.848 8.767 61 HG1 THR 39 1HG THR 39 -5.244 2.591 10.903 62 1HG2 THR 39 1HG2 THR 39 -5.264 -0.258 10.942 63 2HG2 THR 39 2HG2 THR 39 -6.704 0.755 10.752 64 3HG2 THR 39 3HG2 THR 39 -6.316 -0.454 9.521 65 HA PRO 40 HA PRO 40 -2.103 2.548 5.341 66 1HB PRO 40 2HB PRO 40 -4.122 3.514 3.707 67 2HB PRO 40 3HB PRO 40 -3.407 1.886 3.558 68 1HG PRO 40 2HG PRO 40 -5.919 2.681 5.000 69 2HG PRO 40 3HG PRO 40 -5.676 1.309 3.886 70 1HD PRO 40 2HD PRO 40 -5.657 0.912 6.539 71 2HD PRO 40 3HD PRO 40 -4.427 0.100 5.524 72 H SER 41 H SER 41 -5.212 3.815 6.559 73 HA SER 41 HA SER 41 -4.910 6.484 6.132 74 1HB SER 41 2HB SER 41 -6.925 5.345 7.049 75 2HB SER 41 3HB SER 41 -6.132 5.252 8.640 76 HG SER 41 HG SER 41 -7.402 7.101 8.583 77 H GLU 42 H GLU 42 -3.460 4.643 8.808 78 HA GLU 42 HA GLU 42 -2.375 6.673 10.363 79 1HB GLU 42 2HB GLU 42 -2.299 4.277 10.890 80 2HB GLU 42 3HB GLU 42 -1.104 3.987 9.618 81 1HG GLU 42 2HG GLU 42 0.546 5.234 10.712 82 2HG GLU 42 3HG GLU 42 -0.620 6.044 11.805 83 H ILE 43 H ILE 43 -0.965 5.242 7.364 84 HA ILE 43 HA ILE 43 1.189 7.247 7.453 85 HB ILE 43 HB ILE 43 2.123 6.090 5.510 86 1HG1 ILE 43 2HG1 ILE 43 -0.038 4.779 5.029 87 2HG1 ILE 43 3HG1 ILE 43 1.558 4.081 4.760 88 1HG2 ILE 43 1HG2 ILE 43 3.206 4.398 6.900 89 2HG2 ILE 43 2HG2 ILE 43 3.108 5.977 7.677 90 3HG2 ILE 43 3HG2 ILE 43 2.001 4.687 8.181 91 1HD1 ILE 43 1HD1 ILE 43 -0.122 3.456 7.218 92 2HD1 ILE 43 2HD1 ILE 43 0.090 2.420 5.792 93 3HD1 ILE 43 3HD1 ILE 43 1.470 2.802 6.807 94 H VAL 44 H VAL 44 -1.482 8.275 7.058 95 HA VAL 44 HA VAL 44 -0.996 9.504 4.354 96 HB VAL 44 HB VAL 44 -3.658 9.125 5.754 97 1HG1 VAL 44 1HG1 VAL 44 -2.838 10.403 3.105 98 2HG1 VAL 44 2HG1 VAL 44 -4.491 9.907 3.469 99 3HG1 VAL 44 3HG1 VAL 44 -3.727 11.168 4.442 100 1HG2 VAL 44 1HG2 VAL 44 -2.666 7.018 4.766 101 2HG2 VAL 44 2HG2 VAL 44 -4.105 7.556 3.914 102 3HG2 VAL 44 3HG2 VAL 44 -2.506 7.883 3.227 103 H ASN 45 H ASN 45 -1.631 10.209 7.818 104 HA ASN 45 HA ASN 45 -1.489 13.136 7.113 105 1HB ASN 45 2HB ASN 45 -3.231 11.804 9.216 106 2HB ASN 45 3HB ASN 45 -3.072 13.533 8.895 107 1HD2 ASN 45 1HD2 ASN 45 -4.579 10.529 7.811 108 2HD2 ASN 45 2HD2 ASN 45 -5.661 11.304 6.674 109 H GLY 46 H GLY 46 0.412 13.914 7.905 110 1HA GLY 46 1HA GLY 46 2.052 14.420 9.468 111 2HA GLY 46 2HA GLY 46 0.985 13.811 10.741 112 H LYS 47 H LYS 47 2.084 12.037 7.920 113 HA LYS 47 HA LYS 47 4.110 10.552 9.315 114 1HB LYS 47 2HB LYS 47 1.565 9.282 8.237 115 2HB LYS 47 3HB LYS 47 3.072 8.366 8.495 116 1HG LYS 47 2HG LYS 47 2.955 9.630 10.859 117 2HG LYS 47 3HG LYS 47 1.225 9.636 10.510 118 1HD LYS 47 2HD LYS 47 1.123 7.299 10.621 119 2HD LYS 47 3HD LYS 47 2.858 7.061 10.311 120 1HE LYS 47 2HE LYS 47 3.361 8.224 12.463 121 2HE LYS 47 3HE LYS 47 1.625 8.373 12.760 122 1HZ LYS 47 1HZ LYS 47 2.617 6.464 13.933 123 2HZ LYS 47 2HZ LYS 47 1.567 5.871 12.850 124 3HZ LYS 47 3HZ LYS 47 3.141 5.815 12.525 125 H THR 48 H THR 48 2.831 9.083 6.440 126 HA THR 48 HA THR 48 5.326 9.519 5.142 127 HB THR 48 HB THR 48 2.724 8.267 4.236 128 HG1 THR 48 1HG THR 48 4.022 6.401 4.626 129 1HG2 THR 48 1HG2 THR 48 4.155 7.173 2.459 130 2HG2 THR 48 2HG2 THR 48 3.724 8.859 2.206 131 3HG2 THR 48 3HG2 THR 48 5.357 8.460 2.767 132 H ASP 49 H ASP 49 2.024 10.482 3.964 133 HA ASP 49 HA ASP 49 2.808 11.954 1.787 134 1HB ASP 49 2HB ASP 49 0.462 11.414 2.407 135 2HB ASP 49 3HB ASP 49 0.545 12.619 3.708 136 H THR 50 H THR 50 2.277 13.210 5.082 137 HA THR 50 HA THR 50 3.307 15.812 4.576 138 HB THR 50 HB THR 50 3.156 14.588 7.323 139 HG1 THR 50 1HG THR 50 0.983 14.969 5.573 140 1HG2 THR 50 1HG2 THR 50 2.095 16.752 7.862 141 2HG2 THR 50 2HG2 THR 50 3.624 17.038 7.007 142 3HG2 THR 50 3HG2 THR 50 2.086 17.201 6.143 143 H GLY 51 H GLY 51 4.940 12.809 5.320 144 1HA GLY 51 1HA GLY 51 7.052 12.223 5.775 145 2HA GLY 51 2HA GLY 51 7.493 13.713 4.940 146 H VAL 52 H VAL 52 5.871 13.249 8.143 147 HA VAL 52 HA VAL 52 7.916 15.145 9.246 148 HB VAL 52 HB VAL 52 6.449 15.627 11.019 149 1HG1 VAL 52 1HG1 VAL 52 6.067 16.738 8.831 150 2HG1 VAL 52 2HG1 VAL 52 4.866 15.498 8.433 151 3HG1 VAL 52 3HG1 VAL 52 4.582 16.597 9.792 152 1HG2 VAL 52 1HG2 VAL 52 4.746 13.352 9.977 153 2HG2 VAL 52 2HG2 VAL 52 5.459 13.513 11.595 154 3HG2 VAL 52 3HG2 VAL 52 4.144 14.588 11.109 155 H LYS 53 H LYS 53 6.873 11.838 9.759 156 HA LYS 53 HA LYS 53 8.972 11.510 11.828 157 1HB LYS 53 2HB LYS 53 6.054 10.877 12.030 158 2HB LYS 53 3HB LYS 53 7.177 9.698 12.735 159 1HG LYS 53 2HG LYS 53 7.261 12.670 13.317 160 2HG LYS 53 3HG LYS 53 6.351 11.515 14.291 161 1HD LYS 53 2HD LYS 53 8.217 10.648 15.318 162 2HD LYS 53 3HD LYS 53 9.079 10.515 13.810 163 1HE LYS 53 2HE LYS 53 10.457 12.035 14.631 164 2HE LYS 53 3HE LYS 53 9.290 13.203 14.049 165 1HZ LYS 53 1HZ LYS 53 8.301 13.190 16.277 166 2HZ LYS 53 2HZ LYS 53 9.452 12.131 16.798 167 3HZ LYS 53 3HZ LYS 53 9.884 13.639 16.316 168 HA PRO 54 HA PRO 54 9.090 7.355 9.713 169 1HB PRO 54 2HB PRO 54 7.154 6.363 8.108 170 2HB PRO 54 3HB PRO 54 7.021 6.327 9.891 171 1HG PRO 54 2HG PRO 54 5.797 8.342 7.987 172 2HG PRO 54 3HG PRO 54 5.012 7.467 9.333 173 1HD PRO 54 2HD PRO 54 6.074 10.026 9.562 174 2HD PRO 54 3HD PRO 54 5.973 8.866 10.929 175 H GLU 55 H GLU 55 10.677 8.730 8.634 176 HA GLU 55 HA GLU 55 10.134 10.000 6.104 177 1HB GLU 55 2HB GLU 55 12.704 9.182 7.528 178 2HB GLU 55 3HB GLU 55 12.679 10.020 5.972 179 1HG GLU 55 2HG GLU 55 11.477 11.915 6.924 180 2HG GLU 55 3HG GLU 55 11.361 11.111 8.498 181 H ALA 56 H ALA 56 11.092 9.323 4.077 182 HA ALA 56 HA ALA 56 10.191 6.740 3.376 183 1HB ALA 56 1HB ALA 56 10.182 8.700 1.886 184 2HB ALA 56 2HB ALA 56 11.956 8.667 1.821 185 3HB ALA 56 3HB ALA 56 11.011 7.329 1.126 186 H GLY 57 H GLY 57 11.600 5.189 2.011 187 1HA GLY 57 1HA GLY 57 13.413 3.777 1.830 188 2HA GLY 57 2HA GLY 57 14.372 4.852 2.850 189 H GLN 58 H GLN 58 11.425 4.096 4.387 190 HA GLN 58 HA GLN 58 12.733 2.068 6.137 191 1HB GLN 58 2HB GLN 58 10.432 4.030 6.547 192 2HB GLN 58 3HB GLN 58 10.808 2.738 7.689 193 1HG GLN 58 2HG GLN 58 13.166 3.590 7.839 194 2HG GLN 58 3HG GLN 58 12.680 4.993 6.881 195 1HE2 GLN 58 1HE2 GLN 58 11.062 6.445 7.798 196 2HE2 GLN 58 2HE2 GLN 58 10.921 6.531 9.564 197 H ARG 59 H ARG 59 11.511 0.202 6.734 198 HA ARG 59 HA ARG 59 9.551 -0.672 4.674 199 1HB ARG 59 2HB ARG 59 11.137 -2.305 6.687 200 2HB ARG 59 3HB ARG 59 9.831 -2.895 5.644 201 1HG ARG 59 2HG ARG 59 11.190 -1.955 3.661 202 2HG ARG 59 3HG ARG 59 12.559 -1.933 4.788 203 1HD ARG 59 2HD ARG 59 12.062 -4.421 5.244 204 2HD ARG 59 3HD ARG 59 10.763 -4.312 4.062 205 HE ARG 59 HE ARG 59 12.199 -4.426 2.328 206 1HH1 ARG 59 2HH2 ARG 59 14.053 -3.687 5.221 207 2HH1 ARG 59 1HH2 ARG 59 15.605 -4.066 4.541 208 1HH2 ARG 59 1HH1 ARG 59 14.238 -4.916 1.354 209 2HH2 ARG 59 2HH1 ARG 59 15.704 -4.753 2.261 210 H ILE 60 H ILE 60 7.547 -1.424 5.237 211 HA ILE 60 HA ILE 60 6.593 -1.362 8.010 212 HB ILE 60 HB ILE 60 4.782 0.219 7.532 213 1HG1 ILE 60 2HG1 ILE 60 6.340 1.044 5.044 214 2HG1 ILE 60 3HG1 ILE 60 4.908 0.006 4.992 215 1HG2 ILE 60 1HG2 ILE 60 7.483 1.575 7.137 216 2HG2 ILE 60 2HG2 ILE 60 6.066 2.260 7.894 217 3HG2 ILE 60 3HG2 ILE 60 6.895 0.932 8.692 218 1HD1 ILE 60 1HD1 ILE 60 3.532 1.747 6.017 219 2HD1 ILE 60 2HD1 ILE 60 4.925 2.840 6.114 220 3HD1 ILE 60 3HD1 ILE 60 4.305 2.321 4.548 221 H ARG 61 H ARG 61 3.910 -1.993 7.765 222 HA ARG 61 HA ARG 61 3.599 -3.359 5.169 223 1HB ARG 61 2HB ARG 61 2.460 -4.658 7.569 224 2HB ARG 61 3HB ARG 61 2.895 -5.352 6.049 225 1HG ARG 61 2HG ARG 61 5.080 -4.443 8.005 226 2HG ARG 61 3HG ARG 61 4.179 -5.912 8.292 227 1HD ARG 61 2HD ARG 61 4.720 -6.861 6.207 228 2HD ARG 61 3HD ARG 61 5.472 -5.372 5.620 229 HE ARG 61 HE ARG 61 6.549 -7.429 7.426 230 1HH1 ARG 61 2HH2 ARG 61 6.993 -4.095 6.224 231 2HH1 ARG 61 1HH2 ARG 61 8.635 -4.003 6.800 232 1HH2 ARG 61 1HH1 ARG 61 8.798 -7.358 7.912 233 2HH2 ARG 61 2HH1 ARG 61 9.615 -5.822 7.896 234 H VAL 62 H VAL 62 1.793 -2.599 4.274 235 HA VAL 62 HA VAL 62 -0.047 -0.956 5.978 236 HB VAL 62 HB VAL 62 0.663 0.202 4.035 237 1HG1 VAL 62 1HG1 VAL 62 0.137 -0.569 1.734 238 2HG1 VAL 62 2HG1 VAL 62 1.351 -1.579 2.517 239 3HG1 VAL 62 3HG1 VAL 62 -0.338 -2.147 2.392 240 1HG2 VAL 62 1HG2 VAL 62 -2.160 -0.793 3.465 241 2HG2 VAL 62 2HG2 VAL 62 -1.744 0.354 4.755 242 3HG2 VAL 62 3HG2 VAL 62 -1.442 0.774 3.053 243 H GLY 63 H GLY 63 -2.151 -1.636 6.365 244 1HA GLY 63 1HA GLY 63 -3.188 -4.122 5.087 245 2HA GLY 63 2HA GLY 63 -2.897 -4.023 6.835 246 H GLY 64 H GLY 64 -4.934 -3.141 4.155 247 1HA GLY 64 1HA GLY 64 -7.036 -2.097 5.926 248 2HA GLY 64 2HA GLY 64 -6.336 -0.895 4.824 249 H MET 65 H MET 65 -8.506 -0.799 3.898 250 HA MET 65 HA MET 65 -9.274 -3.202 2.314 251 1HB MET 65 2HB MET 65 -11.523 -2.403 2.284 252 2HB MET 65 3HB MET 65 -10.933 -2.540 3.933 253 1HG MET 65 2HG MET 65 -10.359 0.091 3.447 254 2HG MET 65 3HG MET 65 -11.695 -0.115 2.337 255 1HE MET 65 1HE MET 65 -10.373 -0.539 5.943 256 2HE MET 65 2HE MET 65 -11.838 -0.493 6.946 257 3HE MET 65 3HE MET 65 -11.458 -1.939 5.992 258 H VAL 66 H VAL 66 -9.353 -3.118 0.180 259 HA VAL 66 HA VAL 66 -8.599 -0.529 -1.108 260 HB VAL 66 HB VAL 66 -7.334 -2.490 -1.717 261 1HG1 VAL 66 1HG1 VAL 66 -9.319 -4.137 -1.631 262 2HG1 VAL 66 2HG1 VAL 66 -9.775 -3.528 -3.219 263 3HG1 VAL 66 3HG1 VAL 66 -8.216 -4.338 -2.966 264 1HG2 VAL 66 1HG2 VAL 66 -8.705 -1.847 -4.280 265 2HG2 VAL 66 2HG2 VAL 66 -8.290 -0.442 -3.301 266 3HG2 VAL 66 3HG2 VAL 66 -7.028 -1.555 -3.792 267 H THR 67 H THR 67 -10.048 0.735 -2.148 268 HA THR 67 HA THR 67 -12.846 0.082 -2.300 269 HB THR 67 HB THR 67 -11.073 2.368 -3.091 270 HG1 THR 67 1HG THR 67 -12.309 2.341 -1.213 271 1HG2 THR 67 1HG2 THR 67 -12.811 3.446 -4.419 272 2HG2 THR 67 2HG2 THR 67 -12.217 2.017 -5.265 273 3HG2 THR 67 3HG2 THR 67 -13.789 1.968 -4.419 274 H VAL 68 H VAL 68 -13.945 -0.507 -4.047 275 HA VAL 68 HA VAL 68 -12.967 -2.557 -5.635 276 HB VAL 68 HB VAL 68 -15.281 -2.299 -5.158 277 1HG1 VAL 68 1HG1 VAL 68 -15.502 0.204 -5.357 278 2HG1 VAL 68 2HG1 VAL 68 -15.533 0.006 -7.126 279 3HG1 VAL 68 3HG1 VAL 68 -16.786 -0.730 -6.128 280 1HG2 VAL 68 1HG2 VAL 68 -14.649 -3.628 -7.132 281 2HG2 VAL 68 2HG2 VAL 68 -16.253 -2.892 -7.307 282 3HG2 VAL 68 3HG2 VAL 68 -14.865 -2.201 -8.170 283 H GLY 69 H GLY 69 -13.632 0.780 -6.847 284 1HA GLY 69 1HA GLY 69 -12.168 0.211 -9.341 285 2HA GLY 69 2HA GLY 69 -13.059 1.674 -8.914 286 H SER 70 H SER 70 -10.315 -0.089 -7.415 287 HA SER 70 HA SER 70 -8.712 2.471 -7.462 288 1HB SER 70 2HB SER 70 -8.739 0.253 -5.408 289 2HB SER 70 3HB SER 70 -7.693 1.676 -5.373 290 HG SER 70 HG SER 70 -9.644 2.954 -5.396 291 H MET 71 H MET 71 -8.579 -1.073 -7.976 292 HA MET 71 HA MET 71 -5.705 -1.059 -8.236 293 1HB MET 71 2HB MET 71 -7.491 -3.013 -7.718 294 2HB MET 71 3HB MET 71 -7.405 -3.222 -9.463 295 1HG MET 71 2HG MET 71 -5.245 -3.487 -7.362 296 2HG MET 71 3HG MET 71 -5.805 -4.687 -8.532 297 1HE MET 71 1HE MET 71 -4.885 -4.938 -10.957 298 2HE MET 71 2HE MET 71 -5.756 -3.404 -11.222 299 3HE MET 71 3HE MET 71 -4.073 -3.563 -11.747 300 H VAL 72 H VAL 72 -4.544 -0.404 -10.025 301 HA VAL 72 HA VAL 72 -5.850 -0.510 -12.693 302 HB VAL 72 HB VAL 72 -4.775 1.657 -13.272 303 1HG1 VAL 72 1HG1 VAL 72 -7.198 1.477 -12.744 304 2HG1 VAL 72 2HG1 VAL 72 -6.848 1.838 -11.040 305 3HG1 VAL 72 3HG1 VAL 72 -6.525 3.051 -12.290 306 1HG2 VAL 72 1HG2 VAL 72 -4.194 3.249 -11.502 307 2HG2 VAL 72 2HG2 VAL 72 -4.428 2.004 -10.261 308 3HG2 VAL 72 3HG2 VAL 72 -3.125 1.841 -11.466 309 H ARG 73 H ARG 73 -4.599 -1.359 -14.212 310 HA ARG 73 HA ARG 73 -1.770 -1.965 -13.558 311 1HB ARG 73 2HB ARG 73 -2.015 -4.053 -14.864 312 2HB ARG 73 3HB ARG 73 -3.146 -4.032 -13.531 313 1HG ARG 73 2HG ARG 73 -4.758 -3.005 -15.486 314 2HG ARG 73 3HG ARG 73 -3.607 -3.906 -16.479 315 1HD ARG 73 2HD ARG 73 -4.134 -5.793 -14.584 316 2HD ARG 73 3HD ARG 73 -5.651 -4.910 -14.479 317 HE ARG 73 HE ARG 73 -4.811 -6.791 -16.435 318 1HH1 ARG 73 2HH2 ARG 73 -6.510 -3.716 -16.328 319 2HH1 ARG 73 1HH2 ARG 73 -7.431 -3.973 -17.779 320 1HH2 ARG 73 1HH1 ARG 73 -6.020 -7.206 -18.340 321 2HH2 ARG 73 2HH1 ARG 73 -7.142 -6.033 -18.946 322 H ASP 74 H ASP 74 -0.237 -1.835 -15.318 323 HA ASP 74 HA ASP 74 -1.210 -0.134 -17.569 324 1HB ASP 74 2HB ASP 74 1.530 -0.849 -16.478 325 2HB ASP 74 3HB ASP 74 1.288 0.072 -17.968 326 HA PRO 75 HA PRO 75 -0.704 -3.663 -20.317 327 1HB PRO 75 2HB PRO 75 -0.388 -2.489 -22.743 328 2HB PRO 75 3HB PRO 75 -1.886 -2.295 -21.800 329 1HG PRO 75 2HG PRO 75 0.480 -0.394 -21.876 330 2HG PRO 75 3HG PRO 75 -1.238 -0.001 -22.185 331 1HD PRO 75 2HD PRO 75 -0.094 0.349 -19.733 332 2HD PRO 75 3HD PRO 75 -1.784 -0.216 -19.884 333 H ASN 76 H ASN 76 1.548 -3.086 -18.736 334 HA ASN 76 HA ASN 76 3.897 -3.526 -20.545 335 1HB ASN 76 2HB ASN 76 3.719 -2.746 -17.602 336 2HB ASN 76 3HB ASN 76 5.205 -3.178 -18.463 337 1HD2 ASN 76 1HD2 ASN 76 3.371 -0.472 -17.513 338 2HD2 ASN 76 2HD2 ASN 76 4.047 0.628 -18.678 339 H SER 77 H SER 77 2.014 -4.755 -17.806 340 HA SER 77 HA SER 77 1.548 -6.954 -17.294 341 1HB SER 77 2HB SER 77 4.326 -7.836 -18.154 342 2HB SER 77 3HB SER 77 2.975 -8.828 -17.607 343 HG SER 77 HG SER 77 3.205 -7.336 -19.985 344 H LEU 78 H LEU 78 4.497 -5.152 -16.660 345 HA LEU 78 HA LEU 78 4.574 -6.201 -13.865 346 1HB LEU 78 2HB LEU 78 6.949 -5.687 -13.905 347 2HB LEU 78 3HB LEU 78 6.472 -6.969 -14.998 348 HG LEU 78 HG LEU 78 8.281 -5.339 -15.729 349 1HD1 LEU 78 1HD1 LEU 78 7.719 -5.456 -18.063 350 2HD1 LEU 78 2HD1 LEU 78 7.263 -6.958 -17.247 351 3HD1 LEU 78 3HD1 LEU 78 6.023 -5.777 -17.706 352 1HD2 LEU 78 1HD2 LEU 78 7.599 -3.307 -16.940 353 2HD2 LEU 78 2HD2 LEU 78 5.953 -3.473 -16.320 354 3HD2 LEU 78 3HD2 LEU 78 7.312 -3.187 -15.206 355 H HIS 79 H HID 79 2.916 -3.900 -14.791 356 HA HIS 79 HA HID 79 3.981 -2.025 -12.758 357 1HB HIS 79 2HB HID 79 3.582 -1.406 -15.655 358 2HB HIS 79 3HB HID 79 2.858 -0.281 -14.499 359 HD1 HIS 79 1HD HID 79 4.623 0.691 -12.567 360 HD2 HIS 79 2HD HID 79 6.108 -0.856 -16.186 361 HE1 HIS 79 1HE HID 79 6.979 1.634 -12.852 362 H VAL 80 H VAL 80 2.486 -2.195 -11.242 363 HA VAL 80 HA VAL 80 -0.309 -1.676 -12.045 364 HB VAL 80 HB VAL 80 -1.108 -3.479 -10.546 365 1HG1 VAL 80 1HG1 VAL 80 -0.801 -3.897 -13.012 366 2HG1 VAL 80 2HG1 VAL 80 0.706 -4.736 -12.611 367 3HG1 VAL 80 3HG1 VAL 80 -0.841 -5.338 -11.982 368 1HG2 VAL 80 1HG2 VAL 80 1.835 -4.040 -10.172 369 2HG2 VAL 80 2HG2 VAL 80 0.467 -4.093 -9.019 370 3HG2 VAL 80 3HG2 VAL 80 0.728 -5.375 -10.224 371 H GLN 81 H GLN 81 -1.411 -0.437 -10.532 372 HA GLN 81 HA GLN 81 -0.164 -0.269 -7.847 373 1HB GLN 81 2HB GLN 81 -0.250 2.154 -7.734 374 2HB GLN 81 3HB GLN 81 0.829 1.644 -9.050 375 1HG GLN 81 2HG GLN 81 -0.931 2.045 -10.694 376 2HG GLN 81 3HG GLN 81 -2.070 2.495 -9.403 377 1HE2 GLN 81 1HE2 GLN 81 -1.972 4.272 -11.250 378 2HE2 GLN 81 2HE2 GLN 81 -0.931 5.620 -10.886 379 H PHE 82 H PHE 82 -1.579 0.585 -6.220 380 HA PHE 82 HA PHE 82 -4.427 0.718 -6.923 381 1HB PHE 82 2HB PHE 82 -4.989 -1.105 -5.333 382 2HB PHE 82 3HB PHE 82 -4.123 -1.642 -6.763 383 HD1 PHE 82 1HD PHE 82 -3.737 -0.965 -3.150 384 HD2 PHE 82 2HD PHE 82 -2.029 -2.814 -6.636 385 HE1 PHE 82 1HE PHE 82 -2.213 -2.309 -1.696 386 HE2 PHE 82 2HE PHE 82 -0.502 -4.130 -5.194 387 HZ PHE 82 HZ PHE 82 -0.675 -3.948 -2.707 388 H ALA 83 H ALA 83 -5.605 1.842 -5.443 389 HA ALA 83 HA ALA 83 -4.126 3.235 -3.304 390 1HB ALA 83 1HB ALA 83 -7.063 3.467 -4.035 391 2HB ALA 83 2HB ALA 83 -6.079 4.551 -3.042 392 3HB ALA 83 3HB ALA 83 -5.769 4.438 -4.779 393 H VAL 84 H VAL 84 -4.499 2.857 -1.109 394 HA VAL 84 HA VAL 84 -6.563 0.812 -0.381 395 HB VAL 84 HB VAL 84 -3.918 0.990 1.101 396 1HG1 VAL 84 1HG1 VAL 84 -6.003 -1.243 0.920 397 2HG1 VAL 84 2HG1 VAL 84 -4.623 -1.154 2.033 398 3HG1 VAL 84 3HG1 VAL 84 -5.986 -0.040 2.208 399 1HG2 VAL 84 1HG2 VAL 84 -3.258 -1.121 0.011 400 2HG2 VAL 84 2HG2 VAL 84 -4.654 -0.991 -1.084 401 3HG2 VAL 84 3HG2 VAL 84 -3.333 0.211 -1.154 402 H HIS 85 H HID 85 -7.785 1.415 1.410 403 HA HIS 85 HA HID 85 -6.947 3.813 2.929 404 1HB HIS 85 2HB HID 85 -9.086 4.881 2.699 405 2HB HIS 85 3HB HID 85 -8.443 4.585 1.089 406 HD1 HIS 85 1HD HID 85 -11.656 4.388 2.730 407 HD2 HIS 85 2HD HID 85 -9.467 2.088 -0.043 408 HE1 HIS 85 1HE HID 85 -13.332 2.990 1.457 409 H ASP 86 H ASP 86 -8.536 4.090 4.805 410 HA ASP 86 HA ASP 86 -9.331 1.398 5.836 411 1HB ASP 86 2HB ASP 86 -7.286 2.776 6.860 412 2HB ASP 86 3HB ASP 86 -8.584 3.666 7.668 413 H SER 87 H SER 87 -10.533 4.173 4.589 414 HA SER 87 HA SER 87 -12.328 5.504 4.809 415 1HB SER 87 2HB SER 87 -13.520 3.007 6.071 416 2HB SER 87 3HB SER 87 -14.442 4.471 5.708 417 HG SER 87 HG SER 87 -14.487 3.015 3.957 418 H LEU 88 H LEU 88 -10.242 5.515 6.925 419 HA LEU 88 HA LEU 88 -11.779 6.858 9.092 420 1HB LEU 88 2HB LEU 88 -9.080 5.547 8.910 421 2HB LEU 88 3HB LEU 88 -9.236 6.902 10.004 422 HG LEU 88 HG LEU 88 -9.506 4.799 11.138 423 1HD1 LEU 88 1HD1 LEU 88 -12.123 6.358 11.215 424 2HD1 LEU 88 2HD1 LEU 88 -11.399 5.377 12.496 425 3HD1 LEU 88 3HD1 LEU 88 -10.607 6.878 11.983 426 1HD2 LEU 88 1HD2 LEU 88 -10.584 3.489 9.368 427 2HD2 LEU 88 2HD2 LEU 88 -11.469 3.392 10.894 428 3HD2 LEU 88 3HD2 LEU 88 -12.094 4.405 9.579 429 H GLY 89 H GLY 89 -10.870 7.818 6.187 430 1HA GLY 89 1HA GLY 89 -10.606 10.010 5.421 431 2HA GLY 89 2HA GLY 89 -10.236 10.579 7.052 432 H GLY 90 H GLY 90 -8.843 7.958 5.025 433 1HA GLY 90 1HA GLY 90 -6.563 9.463 4.240 434 2HA GLY 90 2HA GLY 90 -6.144 8.327 5.538 435 H GLU 91 H GLU 91 -5.982 8.582 2.342 436 HA GLU 91 HA GLU 91 -6.232 5.694 1.836 437 1HB GLU 91 2HB GLU 91 -8.120 6.819 0.671 438 2HB GLU 91 3HB GLU 91 -6.997 7.952 -0.093 439 1HG GLU 91 2HG GLU 91 -5.998 6.256 -1.422 440 2HG GLU 91 3HG GLU 91 -6.692 4.949 -0.451 441 H ILE 92 H ILE 92 -4.399 4.943 0.695 442 HA ILE 92 HA ILE 92 -2.316 6.937 0.008 443 HB ILE 92 HB ILE 92 -1.982 5.908 2.335 444 1HG1 ILE 92 2HG1 ILE 92 0.394 5.513 2.105 445 2HG1 ILE 92 3HG1 ILE 92 0.265 5.388 0.345 446 1HG2 ILE 92 1HG2 ILE 92 -1.314 3.381 0.794 447 2HG2 ILE 92 2HG2 ILE 92 -1.176 3.653 2.542 448 3HG2 ILE 92 3HG2 ILE 92 -2.769 3.630 1.769 449 1HD1 ILE 92 1HD1 ILE 92 -0.232 7.735 0.156 450 2HD1 ILE 92 2HD1 ILE 92 -0.598 7.868 1.894 451 3HD1 ILE 92 3HD1 ILE 92 1.063 7.607 1.359 452 H LEU 93 H LEU 93 -0.931 6.252 -1.693 453 HA LEU 93 HA LEU 93 -2.150 4.121 -3.350 454 1HB LEU 93 2HB LEU 93 -0.541 6.594 -3.928 455 2HB LEU 93 3HB LEU 93 -0.405 5.243 -5.060 456 HG LEU 93 HG LEU 93 -3.124 6.289 -4.218 457 1HD1 LEU 93 1HD1 LEU 93 -3.172 7.686 -6.207 458 2HD1 LEU 93 2HD1 LEU 93 -1.804 8.184 -5.196 459 3HD1 LEU 93 3HD1 LEU 93 -1.534 7.196 -6.658 460 1HD2 LEU 93 1HD2 LEU 93 -2.979 4.057 -5.398 461 2HD2 LEU 93 2HD2 LEU 93 -3.814 5.278 -6.364 462 3HD2 LEU 93 3HD2 LEU 93 -2.134 4.847 -6.735 463 H VAL 94 H VAL 94 -1.272 2.234 -3.525 464 HA VAL 94 HA VAL 94 1.534 1.747 -2.697 465 HB VAL 94 HB VAL 94 -0.847 -0.102 -3.030 466 1HG1 VAL 94 1HG1 VAL 94 1.257 -1.297 -3.422 467 2HG1 VAL 94 2HG1 VAL 94 1.966 -0.561 -1.965 468 3HG1 VAL 94 3HG1 VAL 94 0.628 -1.728 -1.825 469 1HG2 VAL 94 1HG2 VAL 94 0.477 0.917 -0.482 470 2HG2 VAL 94 2HG2 VAL 94 -1.138 1.384 -1.056 471 3HG2 VAL 94 3HG2 VAL 94 -0.821 -0.284 -0.569 472 H THR 95 H THR 95 2.959 1.441 -4.362 473 HA THR 95 HA THR 95 1.929 0.760 -7.067 474 HB THR 95 HB THR 95 4.191 1.525 -7.783 475 HG1 THR 95 1HG THR 95 5.573 2.352 -6.329 476 1HG2 THR 95 1HG2 THR 95 2.638 3.580 -6.134 477 2HG2 THR 95 2HG2 THR 95 3.799 3.940 -7.432 478 3HG2 THR 95 3HG2 THR 95 2.276 3.114 -7.811 479 H TYR 96 H TYR 96 2.863 -0.985 -8.186 480 HA TYR 96 HA TYR 96 4.828 -2.683 -6.795 481 1HB TYR 96 2HB TYR 96 2.482 -3.391 -6.201 482 2HB TYR 96 3HB TYR 96 2.158 -3.570 -7.898 483 HD1 TYR 96 HD1 TYR 96 1.361 -5.728 -6.503 484 HD2 TYR 96 HD2 TYR 96 5.485 -4.837 -7.417 485 HE1 TYR 96 HE1 TYR 96 2.023 -8.067 -5.998 486 HE2 TYR 96 HE2 TYR 96 6.072 -7.166 -7.086 487 HH TYR 96 HH TYR 96 3.982 -9.029 -5.082 488 H ASP 97 H ASP 97 6.425 -3.060 -8.284 489 HA ASP 97 HA ASP 97 5.901 -2.651 -11.131 490 1HB ASP 97 2HB ASP 97 8.390 -2.567 -11.190 491 2HB ASP 97 3HB ASP 97 7.681 -1.369 -10.105 492 H ASP 98 H ASP 98 4.714 -5.037 -10.134 493 HA ASP 98 HA ASP 98 5.823 -6.884 -11.965 494 1HB ASP 98 2HB ASP 98 7.211 -7.221 -9.694 495 2HB ASP 98 3HB ASP 98 5.759 -8.114 -9.215 496 H LEU 99 H LEU 99 4.485 -9.087 -11.522 497 HA LEU 99 HA LEU 99 1.643 -8.379 -11.556 498 1HB LEU 99 2HB LEU 99 3.191 -10.994 -11.787 499 2HB LEU 99 3HB LEU 99 1.443 -10.973 -11.644 500 HG LEU 99 HG LEU 99 1.941 -9.070 -13.651 501 1HD1 LEU 99 1HD1 LEU 99 3.604 -11.577 -14.141 502 2HD1 LEU 99 2HD1 LEU 99 3.280 -10.280 -15.311 503 3HD1 LEU 99 3HD1 LEU 99 4.255 -9.945 -13.867 504 1HD2 LEU 99 1HD2 LEU 99 1.077 -11.972 -13.898 505 2HD2 LEU 99 2HD2 LEU 99 0.026 -10.588 -13.524 506 3HD2 LEU 99 3HD2 LEU 99 0.820 -10.692 -15.105 507 H LEU 100 H LEU 100 0.103 -9.677 -10.341 508 HA LEU 100 HA LEU 100 0.648 -9.508 -7.433 509 1HB LEU 100 2HB LEU 100 -1.780 -9.549 -9.261 510 2HB LEU 100 3HB LEU 100 -1.990 -9.860 -7.547 511 HG LEU 100 HG LEU 100 -2.482 -7.567 -8.326 512 1HD1 LEU 100 1HD1 LEU 100 -1.458 -6.442 -6.374 513 2HD1 LEU 100 2HD1 LEU 100 -1.917 -8.098 -5.919 514 3HD1 LEU 100 3HD1 LEU 100 -0.223 -7.701 -6.274 515 1HD2 LEU 100 1HD2 LEU 100 0.486 -7.129 -8.583 516 2HD2 LEU 100 2HD2 LEU 100 -0.690 -7.236 -9.927 517 3HD2 LEU 100 3HD2 LEU 100 -0.841 -5.952 -8.707 518 HA PRO 101 HA PRO 101 0.065 -14.004 -7.075 519 1HB PRO 101 2HB PRO 101 -1.328 -14.199 -4.701 520 2HB PRO 101 3HB PRO 101 0.406 -13.816 -4.808 521 1HG PRO 101 2HG PRO 101 -1.859 -11.834 -4.429 522 2HG PRO 101 3HG PRO 101 -0.328 -11.905 -3.561 523 1HD PRO 101 2HD PRO 101 -0.737 -10.249 -5.672 524 2HD PRO 101 3HD PRO 101 0.863 -10.996 -5.394 525 H ASP 102 H ASP 102 -2.951 -12.848 -5.583 526 HA ASP 102 HA ASP 102 -4.529 -14.422 -7.470 527 1HB ASP 102 2HB ASP 102 -5.118 -12.910 -4.883 528 2HB ASP 102 3HB ASP 102 -6.348 -13.755 -5.831 529 H LEU 103 H LEU 103 -3.496 -12.452 -8.927 530 HA LEU 103 HA LEU 103 -3.617 -10.523 -10.010 531 1HB LEU 103 2HB LEU 103 -5.432 -10.143 -11.351 532 2HB LEU 103 3HB LEU 103 -5.372 -11.880 -11.112 533 HG LEU 103 HG LEU 103 -7.145 -10.524 -9.136 534 1HD1 LEU 103 1HD1 LEU 103 -7.419 -8.916 -10.921 535 2HD1 LEU 103 2HD1 LEU 103 -7.790 -10.221 -12.075 536 3HD1 LEU 103 3HD1 LEU 103 -8.885 -9.886 -10.709 537 1HD2 LEU 103 1HD2 LEU 103 -7.134 -12.984 -9.615 538 2HD2 LEU 103 2HD2 LEU 103 -8.722 -12.235 -9.869 539 3HD2 LEU 103 3HD2 LEU 103 -7.696 -12.637 -11.264 540 H PHE 104 H PHE 104 -4.504 -10.317 -6.957 541 HA PHE 104 HA PHE 104 -5.061 -8.753 -5.464 542 1HB PHE 104 2HB PHE 104 -3.750 -7.084 -6.784 543 2HB PHE 104 3HB PHE 104 -5.207 -6.662 -7.654 544 HD1 PHE 104 1HD PHE 104 -7.012 -5.483 -6.466 545 HD2 PHE 104 2HD PHE 104 -3.301 -6.468 -4.511 546 HE1 PHE 104 1HE PHE 104 -7.284 -3.546 -4.980 547 HE2 PHE 104 2HE PHE 104 -3.645 -4.612 -2.937 548 HZ PHE 104 HZ PHE 104 -5.590 -3.124 -3.151 549 H ARG 105 H ARG 105 -6.974 -9.794 -5.032 550 HA ARG 105 HA ARG 105 -9.391 -9.350 -6.630 551 1HB ARG 105 2HB ARG 105 -9.001 -10.500 -3.833 552 2HB ARG 105 3HB ARG 105 -10.516 -10.519 -4.755 553 1HG ARG 105 2HG ARG 105 -9.385 -11.865 -6.529 554 2HG ARG 105 3HG ARG 105 -7.910 -11.862 -5.557 555 1HD ARG 105 2HD ARG 105 -8.773 -13.919 -4.922 556 2HD ARG 105 3HD ARG 105 -9.342 -12.877 -3.641 557 HE ARG 105 HE ARG 105 -11.513 -13.377 -4.246 558 1HH1 ARG 105 2HH2 ARG 105 -9.416 -13.969 -6.994 559 2HH1 ARG 105 1HH2 ARG 105 -10.617 -14.792 -7.953 560 1HH2 ARG 105 1HH1 ARG 105 -13.155 -14.464 -5.478 561 2HH2 ARG 105 2HH1 ARG 105 -12.797 -15.091 -7.043 562 H GLU 106 H GLU 106 -10.519 -7.465 -6.545 563 HA GLU 106 HA GLU 106 -9.892 -5.461 -4.580 564 1HB GLU 106 2HB GLU 106 -12.085 -5.412 -6.699 565 2HB GLU 106 3HB GLU 106 -11.271 -4.051 -5.917 566 1HG GLU 106 2HG GLU 106 -10.196 -4.030 -7.914 567 2HG GLU 106 3HG GLU 106 -9.094 -5.068 -7.012 568 H GLY 107 H GLY 107 -11.884 -4.143 -3.696 569 1HA GLY 107 1HA GLY 107 -13.716 -3.989 -2.342 570 2HA GLY 107 2HA GLY 107 -14.387 -5.361 -3.238 571 H GLN 108 H GLN 108 -11.400 -5.399 -1.289 572 HA GLN 108 HA GLN 108 -12.612 -6.593 1.040 573 1HB GLN 108 2HB GLN 108 -11.373 -8.724 0.919 574 2HB GLN 108 3HB GLN 108 -12.551 -8.561 -0.379 575 1HG GLN 108 2HG GLN 108 -10.694 -7.859 -1.925 576 2HG GLN 108 3HG GLN 108 -9.530 -8.154 -0.622 577 1HE2 GLN 108 1HE2 GLN 108 -12.235 -9.727 -2.400 578 2HE2 GLN 108 2HE2 GLN 108 -11.579 -11.350 -2.283 579 H GLY 109 H GLY 109 -10.480 -7.447 2.398 580 1HA GLY 109 1HA GLY 109 -8.596 -5.145 2.288 581 2HA GLY 109 2HA GLY 109 -9.084 -5.923 3.778 582 H ILE 110 H ILE 110 -6.545 -5.458 2.095 583 HA ILE 110 HA ILE 110 -5.408 -8.204 2.252 584 HB ILE 110 HB ILE 110 -4.177 -7.937 0.208 585 1HG1 ILE 110 2HG1 ILE 110 -5.201 -5.888 -1.289 586 2HG1 ILE 110 3HG1 ILE 110 -5.104 -5.117 0.293 587 1HG2 ILE 110 1HG2 ILE 110 -7.085 -7.289 -0.414 588 2HG2 ILE 110 2HG2 ILE 110 -5.930 -8.185 -1.416 589 3HG2 ILE 110 3HG2 ILE 110 -6.509 -8.885 0.104 590 1HD1 ILE 110 1HD1 ILE 110 -2.996 -4.788 -0.828 591 2HD1 ILE 110 2HD1 ILE 110 -2.692 -5.994 0.424 592 3HD1 ILE 110 3HD1 ILE 110 -2.875 -6.521 -1.261 593 H VAL 111 H VAL 111 -3.087 -8.132 2.649 594 HA VAL 111 HA VAL 111 -2.213 -5.563 3.898 595 HB VAL 111 HB VAL 111 -0.580 -7.068 5.132 596 1HG1 VAL 111 1HG1 VAL 111 -2.295 -7.694 6.895 597 2HG1 VAL 111 2HG1 VAL 111 -2.261 -6.013 6.381 598 3HG1 VAL 111 3HG1 VAL 111 -3.545 -7.083 5.777 599 1HG2 VAL 111 1HG2 VAL 111 -2.621 -9.254 4.536 600 2HG2 VAL 111 2HG2 VAL 111 -1.008 -9.136 3.802 601 3HG2 VAL 111 3HG2 VAL 111 -1.172 -9.379 5.549 602 H ALA 112 H ALA 112 -0.298 -4.725 3.155 603 HA ALA 112 HA ALA 112 1.139 -6.243 1.026 604 1HB ALA 112 1HB ALA 112 1.234 -4.439 -0.419 605 2HB ALA 112 2HB ALA 112 -0.452 -4.436 0.129 606 3HB ALA 112 3HB ALA 112 0.709 -3.270 0.794 607 H GLN 113 H GLN 113 3.201 -6.490 1.440 608 HA GLN 113 HA GLN 113 4.462 -4.847 3.563 609 1HB GLN 113 2HB GLN 113 4.318 -7.170 4.089 610 2HB GLN 113 3HB GLN 113 4.832 -7.681 2.519 611 1HG GLN 113 2HG GLN 113 6.888 -6.044 3.953 612 2HG GLN 113 3HG GLN 113 6.455 -7.581 4.715 613 1HE2 GLN 113 1HE2 GLN 113 6.411 -9.546 3.373 614 2HE2 GLN 113 2HE2 GLN 113 7.563 -9.764 2.123 615 H GLY 114 H GLY 114 6.309 -3.677 3.134 616 1HA GLY 114 1HA GLY 114 8.206 -4.108 1.171 617 2HA GLY 114 2HA GLY 114 6.972 -3.114 0.404 618 H VAL 115 H VAL 115 8.101 -1.252 0.256 619 HA VAL 115 HA VAL 115 9.270 -0.079 2.711 620 HB VAL 115 HB VAL 115 11.062 -1.155 1.438 621 1HG1 VAL 115 1HG1 VAL 115 10.063 -1.157 -0.826 622 2HG1 VAL 115 2HG1 VAL 115 10.266 0.608 -0.912 623 3HG1 VAL 115 3HG1 VAL 115 11.682 -0.452 -0.825 624 1HG2 VAL 115 1HG2 VAL 115 11.677 0.885 2.591 625 2HG2 VAL 115 2HG2 VAL 115 12.587 0.703 1.095 626 3HG2 VAL 115 3HG2 VAL 115 11.255 1.860 1.165 627 H LEU 116 H LEU 116 9.321 2.202 2.713 628 HA LEU 116 HA LEU 116 7.150 3.490 1.400 629 1HB LEU 116 2HB LEU 116 9.699 4.367 2.791 630 2HB LEU 116 3HB LEU 116 8.839 5.570 1.825 631 HG LEU 116 HG LEU 116 8.258 5.549 4.281 632 1HD1 LEU 116 1HD1 LEU 116 6.360 5.444 1.973 633 2HD1 LEU 116 2HD1 LEU 116 5.661 5.428 3.604 634 3HD1 LEU 116 3HD1 LEU 116 6.752 6.744 3.099 635 1HD2 LEU 116 1HD2 LEU 116 6.685 3.963 5.142 636 2HD2 LEU 116 2HD2 LEU 116 6.670 3.036 3.630 637 3HD2 LEU 116 3HD2 LEU 116 8.136 3.098 4.648 638 H GLY 117 H GLY 117 6.983 4.725 -0.470 639 1HA GLY 117 1HA GLY 117 8.669 3.813 -2.676 640 2HA GLY 117 2HA GLY 117 7.267 4.898 -2.728 641 H GLU 118 H GLU 118 8.434 6.319 -4.084 642 HA GLU 118 HA GLU 118 11.010 7.307 -3.608 643 1HB GLU 118 2HB GLU 118 9.549 7.403 -5.718 644 2HB GLU 118 3HB GLU 118 8.805 8.859 -5.049 645 1HG GLU 118 2HG GLU 118 11.045 9.933 -4.924 646 2HG GLU 118 3HG GLU 118 11.780 8.465 -5.594 647 H ASP 119 H ASP 119 7.909 8.998 -3.030 648 HA ASP 119 HA ASP 119 8.473 9.863 -0.414 649 1HB ASP 119 2HB ASP 119 9.996 11.475 -1.626 650 2HB ASP 119 3HB ASP 119 8.585 12.087 -2.505 651 H GLY 120 H GLY 120 6.428 9.288 0.097 652 1HA GLY 120 1HA GLY 120 4.227 10.251 0.484 653 2HA GLY 120 2HA GLY 120 4.136 10.719 -1.213 654 H LYS 121 H LYS 121 5.239 8.332 -2.314 655 HA LYS 121 HA LYS 121 2.850 6.632 -2.237 656 1HB LYS 121 2HB LYS 121 4.997 7.244 -4.142 657 2HB LYS 121 3HB LYS 121 4.918 5.512 -3.894 658 1HG LYS 121 2HG LYS 121 3.464 5.907 -5.625 659 2HG LYS 121 3HG LYS 121 2.412 5.661 -4.216 660 1HD LYS 121 2HD LYS 121 1.476 7.750 -4.476 661 2HD LYS 121 3HD LYS 121 3.063 8.494 -4.453 662 1HE LYS 121 2HE LYS 121 2.032 9.091 -6.535 663 2HE LYS 121 3HE LYS 121 3.372 7.995 -6.873 664 1HZ LYS 121 1HZ LYS 121 0.511 7.282 -6.833 665 2HZ LYS 121 2HZ LYS 121 1.463 7.415 -8.161 666 3HZ LYS 121 3HZ LYS 121 1.721 6.202 -7.093 667 H LEU 122 H LEU 122 3.091 4.223 -2.208 668 HA LEU 122 HA LEU 122 5.205 3.244 -0.305 669 1HB LEU 122 2HB LEU 122 2.355 2.401 -0.760 670 2HB LEU 122 3HB LEU 122 3.530 1.482 0.193 671 HG LEU 122 HG LEU 122 2.708 4.378 0.794 672 1HD1 LEU 122 1HD1 LEU 122 1.387 3.313 2.589 673 2HD1 LEU 122 2HD1 LEU 122 0.873 2.784 0.971 674 3HD1 LEU 122 3HD1 LEU 122 1.880 1.711 1.977 675 1HD2 LEU 122 1HD2 LEU 122 4.895 3.890 1.685 676 2HD2 LEU 122 2HD2 LEU 122 3.728 3.858 3.001 677 3HD2 LEU 122 3HD2 LEU 122 4.353 2.324 2.317 678 H ALA 123 H ALA 123 6.487 1.553 -1.110 679 HA ALA 123 HA ALA 123 5.708 0.397 -3.778 680 1HB ALA 123 1HB ALA 123 7.838 1.567 -3.845 681 2HB ALA 123 2HB ALA 123 8.420 0.657 -2.435 682 3HB ALA 123 3HB ALA 123 8.086 -0.186 -3.963 683 H ALA 124 H ALA 124 4.498 -1.418 -3.281 684 HA ALA 124 HA ALA 124 5.612 -3.263 -1.206 685 1HB ALA 124 1HB ALA 124 2.677 -2.659 -1.382 686 2HB ALA 124 2HB ALA 124 3.533 -3.633 -0.185 687 3HB ALA 124 3HB ALA 124 3.772 -1.875 -0.215 688 H THR 125 H THR 125 6.129 -5.041 -2.106 689 HA THR 125 HA THR 125 4.699 -6.044 -4.489 690 HB THR 125 HB THR 125 6.975 -6.040 -4.956 691 HG1 THR 125 1HG THR 125 6.062 -8.221 -5.141 692 1HG2 THR 125 1HG2 THR 125 7.977 -5.438 -2.824 693 2HG2 THR 125 2HG2 THR 125 7.570 -7.037 -2.138 694 3HG2 THR 125 3HG2 THR 125 8.751 -6.892 -3.446 695 H GLU 126 H GLU 126 5.463 -6.892 -1.106 696 HA GLU 126 HA GLU 126 4.494 -9.640 -1.492 697 1HB GLU 126 2HB GLU 126 5.835 -8.023 0.646 698 2HB GLU 126 3HB GLU 126 5.128 -9.611 1.029 699 1HG GLU 126 2HG GLU 126 6.851 -9.549 -1.429 700 2HG GLU 126 3HG GLU 126 7.694 -9.191 0.077 701 H VAL 127 H VAL 127 2.412 -8.905 -2.178 702 HA VAL 127 HA VAL 127 0.551 -7.927 -0.125 703 HB VAL 127 HB VAL 127 -1.121 -8.177 -1.977 704 1HG1 VAL 127 1HG1 VAL 127 1.261 -6.318 -2.321 705 2HG1 VAL 127 2HG1 VAL 127 -0.273 -6.181 -3.208 706 3HG1 VAL 127 3HG1 VAL 127 -0.262 -6.028 -1.443 707 1HG2 VAL 127 1HG2 VAL 127 0.458 -9.766 -3.355 708 2HG2 VAL 127 2HG2 VAL 127 -0.461 -8.504 -4.181 709 3HG2 VAL 127 3HG2 VAL 127 1.262 -8.269 -3.845 710 H LEU 128 H LEU 128 -0.604 -9.200 1.204 711 HA LEU 128 HA LEU 128 -1.079 -12.045 0.445 712 1HB LEU 128 2HB LEU 128 -0.921 -11.318 3.341 713 2HB LEU 128 3HB LEU 128 -0.687 -12.838 2.522 714 HG LEU 128 HG LEU 128 1.340 -12.356 3.438 715 1HD1 LEU 128 1HD1 LEU 128 1.499 -12.888 0.925 716 2HD1 LEU 128 2HD1 LEU 128 2.032 -11.196 0.752 717 3HD1 LEU 128 3HD1 LEU 128 2.936 -12.290 1.780 718 1HD2 LEU 128 1HD2 LEU 128 1.219 -9.470 2.507 719 2HD2 LEU 128 2HD2 LEU 128 1.082 -10.096 4.162 720 3HD2 LEU 128 3HD2 LEU 128 2.605 -10.248 3.280 721 H ALA 129 H ALA 129 -3.233 -12.603 0.491 722 HA ALA 129 HA ALA 129 -5.180 -10.471 1.215 723 1HB ALA 129 1HB ALA 129 -5.441 -12.934 -0.544 724 2HB ALA 129 2HB ALA 129 -6.703 -11.721 -0.245 725 3HB ALA 129 3HB ALA 129 -5.212 -11.257 -1.087 726 H LYS 130 H LYS 130 -4.816 -11.022 3.538 727 HA LYS 130 HA LYS 130 -5.483 -13.645 4.459 728 1HB LYS 130 2HB LYS 130 -4.923 -12.895 6.579 729 2HB LYS 130 3HB LYS 130 -3.930 -11.925 5.487 730 1HG LYS 130 2HG LYS 130 -6.003 -10.217 5.709 731 2HG LYS 130 3HG LYS 130 -6.297 -11.175 7.186 732 1HD LYS 130 2HD LYS 130 -3.628 -10.712 7.472 733 2HD LYS 130 3HD LYS 130 -4.026 -9.331 6.457 734 1HE LYS 130 2HE LYS 130 -5.130 -10.056 9.209 735 2HE LYS 130 3HE LYS 130 -4.110 -8.675 8.794 736 1HZ LYS 130 1HZ LYS 130 -6.373 -8.010 9.072 737 2HZ LYS 130 2HZ LYS 130 -5.968 -7.796 7.497 738 3HZ LYS 130 3HZ LYS 130 -6.917 -9.062 7.943 739 H HIS 131 H HID 131 -7.628 -11.139 3.529 740 HA HIS 131 HA HID 131 -9.828 -11.982 5.314 741 1HB HIS 131 2HB HID 131 -9.631 -10.059 2.980 742 2HB HIS 131 3HB HID 131 -11.172 -10.594 3.643 743 HD1 HIS 131 1HD HID 131 -11.827 -8.208 4.575 744 HD2 HIS 131 2HD HID 131 -8.381 -9.979 6.206 745 HE1 HIS 131 1HE HID 131 -11.250 -6.894 6.682 746 H ASP 132 H ASP 132 -8.773 -12.442 1.894 747 HA ASP 132 HA ASP 132 -9.425 -13.747 0.272 748 1HB ASP 132 2HB ASP 132 -9.056 -15.552 2.039 749 2HB ASP 132 3HB ASP 132 -10.804 -15.566 2.300 Start of MODEL 32 1 H SER 32 H SER 32 13.778 -2.153 19.690 2 HA SER 32 HA SER 32 12.952 0.428 18.826 3 1HB SER 32 2HB SER 32 15.442 0.534 18.226 4 2HB SER 32 3HB SER 32 15.165 -0.843 17.146 5 HG SER 32 HG SER 32 14.049 1.768 17.015 6 H ASN 33 H ASN 33 11.493 0.189 17.011 7 HA ASN 33 HA ASN 33 10.716 -2.582 16.310 8 1HB ASN 33 2HB ASN 33 8.446 -1.736 16.112 9 2HB ASN 33 3HB ASN 33 9.064 -1.319 17.715 10 1HD2 ASN 33 1HD2 ASN 33 7.386 -0.046 15.061 11 2HD2 ASN 33 2HD2 ASN 33 7.756 1.646 15.342 12 H LEU 34 H LEU 34 10.009 -2.828 13.977 13 HA LEU 34 HA LEU 34 10.431 -0.511 12.287 14 1HB LEU 34 2HB LEU 34 12.728 -1.801 12.939 15 2HB LEU 34 3HB LEU 34 12.345 -2.678 11.469 16 HG LEU 34 HG LEU 34 12.320 0.378 11.646 17 1HD1 LEU 34 1HD1 LEU 34 14.679 -1.395 10.935 18 2HD1 LEU 34 2HD1 LEU 34 14.602 0.375 10.778 19 3HD1 LEU 34 3HD1 LEU 34 14.514 -0.371 12.379 20 1HD2 LEU 34 1HD2 LEU 34 11.203 -0.644 9.655 21 2HD2 LEU 34 2HD2 LEU 34 12.662 0.253 9.216 22 3HD2 LEU 34 3HD2 LEU 34 12.703 -1.522 9.282 23 H ASN 35 H ASN 35 10.652 -3.995 11.307 24 HA ASN 35 HA ASN 35 9.115 -3.188 8.977 25 1HB ASN 35 2HB ASN 35 10.012 -5.990 9.773 26 2HB ASN 35 3HB ASN 35 9.428 -5.465 8.193 27 1HD2 ASN 35 1HD2 ASN 35 12.202 -5.704 10.298 28 2HD2 ASN 35 2HD2 ASN 35 13.337 -4.988 9.177 29 H LEU 36 H LEU 36 7.039 -2.550 10.176 30 HA LEU 36 HA LEU 36 5.451 -4.920 11.075 31 1HB LEU 36 2HB LEU 36 4.801 -3.952 12.995 32 2HB LEU 36 3HB LEU 36 6.488 -3.461 12.930 33 HG LEU 36 HG LEU 36 4.102 -1.682 12.149 34 1HD1 LEU 36 1HD1 LEU 36 3.992 -2.286 14.501 35 2HD1 LEU 36 2HD1 LEU 36 5.688 -1.802 14.732 36 3HD1 LEU 36 3HD1 LEU 36 4.457 -0.590 14.308 37 1HD2 LEU 36 1HD2 LEU 36 6.203 -0.927 11.092 38 2HD2 LEU 36 2HD2 LEU 36 5.713 0.170 12.383 39 3HD2 LEU 36 3HD2 LEU 36 7.020 -0.989 12.679 40 H PHE 37 H PHE 37 3.131 -4.423 11.382 41 HA PHE 37 HA PHE 37 2.103 -3.436 8.842 42 1HB PHE 37 2HB PHE 37 0.721 -4.800 11.166 43 2HB PHE 37 3HB PHE 37 -0.007 -4.425 9.615 44 HD1 PHE 37 1HD PHE 37 2.299 -6.714 11.385 45 HD2 PHE 37 2HD PHE 37 0.616 -5.657 7.558 46 HE1 PHE 37 1HE PHE 37 3.189 -8.811 10.416 47 HE2 PHE 37 2HE PHE 37 1.579 -7.732 6.580 48 HZ PHE 37 HZ PHE 37 2.878 -9.290 7.975 49 H TYR 38 H TYR 38 0.987 -1.615 8.504 50 HA TYR 38 HA TYR 38 0.025 0.042 10.763 51 1HB TYR 38 2HB TYR 38 2.149 0.620 8.731 52 2HB TYR 38 3HB TYR 38 0.910 1.853 8.846 53 HD1 TYR 38 HD1 TYR 38 4.065 1.184 10.017 54 HD2 TYR 38 HD2 TYR 38 0.166 2.419 11.394 55 HE1 TYR 38 HE1 TYR 38 5.114 2.644 11.722 56 HE2 TYR 38 HE2 TYR 38 1.211 3.757 13.175 57 HH TYR 38 HH TYR 38 3.477 4.247 14.225 58 H THR 39 H THR 39 -1.823 1.232 10.322 59 HA THR 39 HA THR 39 -3.525 0.385 8.292 60 HB THR 39 HB THR 39 -3.644 2.912 10.006 61 HG1 THR 39 1HG THR 39 -4.634 1.392 11.512 62 1HG2 THR 39 1HG2 THR 39 -5.503 2.696 8.401 63 2HG2 THR 39 2HG2 THR 39 -5.808 1.038 8.982 64 3HG2 THR 39 3HG2 THR 39 -6.070 2.422 10.056 65 HA PRO 40 HA PRO 40 -2.159 3.169 4.973 66 1HB PRO 40 2HB PRO 40 -4.484 3.418 3.514 67 2HB PRO 40 3HB PRO 40 -3.413 1.985 3.502 68 1HG PRO 40 2HG PRO 40 -5.907 2.369 5.174 69 2HG PRO 40 3HG PRO 40 -5.492 0.988 4.125 70 1HD PRO 40 2HD PRO 40 -5.014 0.847 6.737 71 2HD PRO 40 3HD PRO 40 -3.739 0.306 5.601 72 H SER 41 H SER 41 -5.460 3.911 6.340 73 HA SER 41 HA SER 41 -5.537 6.567 5.798 74 1HB SER 41 2HB SER 41 -6.486 5.352 8.385 75 2HB SER 41 3HB SER 41 -7.275 6.625 7.439 76 HG SER 41 HG SER 41 -8.355 4.751 6.873 77 H GLU 42 H GLU 42 -3.692 5.019 8.406 78 HA GLU 42 HA GLU 42 -3.118 7.295 10.020 79 1HB GLU 42 2HB GLU 42 -2.537 4.851 10.499 80 2HB GLU 42 3HB GLU 42 -1.235 4.997 9.311 81 1HG GLU 42 2HG GLU 42 -0.215 5.293 11.403 82 2HG GLU 42 3HG GLU 42 -0.332 6.933 10.736 83 H ILE 43 H ILE 43 -1.628 5.926 7.066 84 HA ILE 43 HA ILE 43 0.384 8.032 7.070 85 HB ILE 43 HB ILE 43 1.497 6.740 5.289 86 1HG1 ILE 43 2HG1 ILE 43 -0.574 4.595 5.890 87 2HG1 ILE 43 3HG1 ILE 43 -0.495 5.543 4.388 88 1HG2 ILE 43 1HG2 ILE 43 0.902 5.095 7.777 89 2HG2 ILE 43 2HG2 ILE 43 2.392 5.101 6.805 90 3HG2 ILE 43 3HG2 ILE 43 1.963 6.513 7.745 91 1HD1 ILE 43 1HD1 ILE 43 1.813 4.602 4.015 92 2HD1 ILE 43 2HD1 ILE 43 1.594 3.578 5.453 93 3HD1 ILE 43 3HD1 ILE 43 0.554 3.352 4.062 94 H VAL 44 H VAL 44 -2.350 8.798 6.548 95 HA VAL 44 HA VAL 44 -1.750 10.287 4.031 96 HB VAL 44 HB VAL 44 -4.038 9.058 4.459 97 1HG1 VAL 44 1HG1 VAL 44 -4.655 11.743 5.778 98 2HG1 VAL 44 2HG1 VAL 44 -5.779 10.433 5.422 99 3HG1 VAL 44 3HG1 VAL 44 -4.533 10.206 6.653 100 1HG2 VAL 44 1HG2 VAL 44 -3.870 11.913 3.413 101 2HG2 VAL 44 2HG2 VAL 44 -3.506 10.436 2.495 102 3HG2 VAL 44 3HG2 VAL 44 -5.156 10.741 3.057 103 H ASN 45 H ASN 45 -2.391 10.583 7.525 104 HA ASN 45 HA ASN 45 -3.018 13.351 7.391 105 1HB ASN 45 2HB ASN 45 -2.271 11.568 9.751 106 2HB ASN 45 3HB ASN 45 -2.780 13.251 9.906 107 1HD2 ASN 45 1HD2 ASN 45 -3.925 9.963 9.327 108 2HD2 ASN 45 2HD2 ASN 45 -5.612 10.417 9.254 109 H GLY 46 H GLY 46 -0.071 11.740 8.566 110 1HA GLY 46 1HA GLY 46 1.679 14.003 8.108 111 2HA GLY 46 2HA GLY 46 1.136 13.916 9.799 112 H LYS 47 H LYS 47 2.400 11.888 7.167 113 HA LYS 47 HA LYS 47 4.192 10.447 8.979 114 1HB LYS 47 2HB LYS 47 2.089 9.174 7.247 115 2HB LYS 47 3HB LYS 47 3.392 8.266 8.031 116 1HG LYS 47 2HG LYS 47 1.225 9.874 9.497 117 2HG LYS 47 3HG LYS 47 1.076 8.189 9.141 118 1HD LYS 47 2HD LYS 47 3.308 9.310 10.875 119 2HD LYS 47 3HD LYS 47 1.746 8.702 11.438 120 1HE LYS 47 2HE LYS 47 2.335 6.550 10.052 121 2HE LYS 47 3HE LYS 47 4.004 7.117 10.153 122 1HZ LYS 47 1HZ LYS 47 2.187 6.557 12.414 123 2HZ LYS 47 2HZ LYS 47 3.482 5.639 12.014 124 3HZ LYS 47 3HZ LYS 47 3.711 7.153 12.583 125 H THR 48 H THR 48 3.514 9.004 5.895 126 HA THR 48 HA THR 48 6.032 9.680 4.768 127 HB THR 48 HB THR 48 4.898 7.618 4.308 128 HG1 THR 48 1HG THR 48 5.036 7.775 1.946 129 1HG2 THR 48 1HG2 THR 48 2.855 8.984 2.521 130 2HG2 THR 48 2HG2 THR 48 2.971 7.294 2.982 131 3HG2 THR 48 3HG2 THR 48 2.486 8.493 4.185 132 H ASP 49 H ASP 49 2.713 10.659 3.767 133 HA ASP 49 HA ASP 49 3.476 12.036 1.537 134 1HB ASP 49 2HB ASP 49 1.161 11.287 2.255 135 2HB ASP 49 3HB ASP 49 1.061 12.743 3.263 136 H THR 50 H THR 50 3.100 13.336 4.799 137 HA THR 50 HA THR 50 4.077 15.999 3.981 138 HB THR 50 HB THR 50 3.410 15.249 6.812 139 HG1 THR 50 1HG THR 50 1.568 15.414 4.683 140 1HG2 THR 50 1HG2 THR 50 2.353 17.483 6.787 141 2HG2 THR 50 2HG2 THR 50 4.047 17.589 6.271 142 3HG2 THR 50 3HG2 THR 50 2.744 17.666 5.065 143 H GLY 51 H GLY 51 5.557 13.106 4.852 144 1HA GLY 51 1HA GLY 51 7.528 12.466 5.752 145 2HA GLY 51 2HA GLY 51 8.104 13.966 5.024 146 H VAL 52 H VAL 52 5.984 13.431 7.899 147 HA VAL 52 HA VAL 52 7.822 15.286 9.388 148 HB VAL 52 HB VAL 52 6.029 15.633 10.963 149 1HG1 VAL 52 1HG1 VAL 52 4.655 17.014 9.522 150 2HG1 VAL 52 2HG1 VAL 52 6.334 17.083 8.959 151 3HG1 VAL 52 3HG1 VAL 52 5.148 16.090 8.095 152 1HG2 VAL 52 1HG2 VAL 52 4.787 13.505 10.766 153 2HG2 VAL 52 2HG2 VAL 52 3.736 14.895 10.461 154 3HG2 VAL 52 3HG2 VAL 52 4.335 13.934 9.097 155 H LYS 53 H LYS 53 6.588 11.992 9.618 156 HA LYS 53 HA LYS 53 8.260 11.616 12.060 157 1HB LYS 53 2HB LYS 53 5.561 10.515 11.432 158 2HB LYS 53 3HB LYS 53 6.696 9.572 12.416 159 1HG LYS 53 2HG LYS 53 5.693 12.388 13.020 160 2HG LYS 53 3HG LYS 53 5.184 10.887 13.771 161 1HD LYS 53 2HD LYS 53 6.669 11.361 15.366 162 2HD LYS 53 3HD LYS 53 7.838 10.639 14.277 163 1HE LYS 53 2HE LYS 53 7.493 13.505 13.648 164 2HE LYS 53 3HE LYS 53 7.708 13.313 15.377 165 1HZ LYS 53 1HZ LYS 53 9.770 13.640 14.273 166 2HZ LYS 53 2HZ LYS 53 9.766 12.130 14.924 167 3HZ LYS 53 3HZ LYS 53 9.567 12.351 13.298 168 HA PRO 54 HA PRO 54 9.660 7.954 9.562 169 1HB PRO 54 2HB PRO 54 8.312 6.860 7.498 170 2HB PRO 54 3HB PRO 54 7.756 6.596 9.176 171 1HG PRO 54 2HG PRO 54 6.762 8.685 7.210 172 2HG PRO 54 3HG PRO 54 5.777 7.512 8.136 173 1HD PRO 54 2HD PRO 54 6.289 10.104 8.975 174 2HD PRO 54 3HD PRO 54 6.050 8.742 10.126 175 H GLU 55 H GLU 55 10.520 7.591 7.228 176 HA GLU 55 HA GLU 55 10.697 9.962 5.526 177 1HB GLU 55 2HB GLU 55 12.996 8.847 7.210 178 2HB GLU 55 3HB GLU 55 13.275 9.735 5.709 179 1HG GLU 55 2HG GLU 55 12.180 11.721 6.593 180 2HG GLU 55 3HG GLU 55 11.755 10.877 8.091 181 H ALA 56 H ALA 56 11.479 9.346 3.474 182 HA ALA 56 HA ALA 56 10.830 6.763 2.623 183 1HB ALA 56 1HB ALA 56 10.809 8.714 1.113 184 2HB ALA 56 2HB ALA 56 12.574 8.839 1.226 185 3HB ALA 56 3HB ALA 56 11.825 7.437 0.442 186 H GLY 57 H GLY 57 12.099 4.953 1.988 187 1HA GLY 57 1HA GLY 57 14.230 3.851 1.725 188 2HA GLY 57 2HA GLY 57 14.925 4.858 2.995 189 H GLN 58 H GLN 58 12.138 4.368 4.431 190 HA GLN 58 HA GLN 58 13.130 2.046 5.982 191 1HB GLN 58 2HB GLN 58 10.998 4.151 6.443 192 2HB GLN 58 3HB GLN 58 11.137 2.706 7.460 193 1HG GLN 58 2HG GLN 58 13.360 3.241 8.160 194 2HG GLN 58 3HG GLN 58 13.512 4.541 6.967 195 1HE2 GLN 58 1HE2 GLN 58 12.122 6.431 7.176 196 2HE2 GLN 58 2HE2 GLN 58 11.706 6.940 8.824 197 H ARG 59 H ARG 59 11.809 0.266 6.437 198 HA ARG 59 HA ARG 59 9.814 -0.362 4.336 199 1HB ARG 59 2HB ARG 59 11.244 -2.215 6.255 200 2HB ARG 59 3HB ARG 59 10.061 -2.671 5.019 201 1HG ARG 59 2HG ARG 59 11.868 -1.288 3.479 202 2HG ARG 59 3HG ARG 59 12.933 -1.901 4.748 203 1HD ARG 59 2HD ARG 59 11.622 -4.216 4.239 204 2HD ARG 59 3HD ARG 59 11.180 -3.393 2.758 205 HE ARG 59 HE ARG 59 13.319 -3.627 1.950 206 1HH1 ARG 59 2HH2 ARG 59 13.312 -4.210 5.427 207 2HH1 ARG 59 1HH2 ARG 59 14.913 -4.881 5.497 208 1HH2 ARG 59 1HH1 ARG 59 15.480 -4.475 1.994 209 2HH2 ARG 59 2HH1 ARG 59 16.187 -5.007 3.484 210 H ILE 60 H ILE 60 7.756 -0.849 4.846 211 HA ILE 60 HA ILE 60 6.965 -1.334 7.585 212 HB ILE 60 HB ILE 60 5.149 0.291 7.607 213 1HG1 ILE 60 2HG1 ILE 60 6.405 1.780 5.276 214 2HG1 ILE 60 3HG1 ILE 60 5.101 0.615 5.030 215 1HG2 ILE 60 1HG2 ILE 60 6.405 2.272 8.242 216 2HG2 ILE 60 2HG2 ILE 60 7.318 0.839 8.714 217 3HG2 ILE 60 3HG2 ILE 60 7.801 1.770 7.280 218 1HD1 ILE 60 1HD1 ILE 60 4.151 2.830 5.198 219 2HD1 ILE 60 2HD1 ILE 60 3.630 1.840 6.568 220 3HD1 ILE 60 3HD1 ILE 60 4.883 3.085 6.786 221 H ARG 61 H ARG 61 4.637 -2.089 7.512 222 HA ARG 61 HA ARG 61 3.944 -3.061 4.767 223 1HB ARG 61 2HB ARG 61 2.899 -4.449 7.192 224 2HB ARG 61 3HB ARG 61 3.211 -5.067 5.580 225 1HG ARG 61 2HG ARG 61 5.704 -4.825 6.095 226 2HG ARG 61 3HG ARG 61 5.269 -4.355 7.731 227 1HD ARG 61 2HD ARG 61 3.997 -6.457 7.973 228 2HD ARG 61 3HD ARG 61 4.706 -7.042 6.450 229 HE ARG 61 HE ARG 61 6.434 -6.059 8.715 230 1HH1 ARG 61 2HH2 ARG 61 5.270 -8.924 6.988 231 2HH1 ARG 61 1HH2 ARG 61 6.294 -10.017 7.868 232 1HH2 ARG 61 1HH1 ARG 61 7.664 -7.378 9.855 233 2HH2 ARG 61 2HH1 ARG 61 7.754 -9.110 9.571 234 H VAL 62 H VAL 62 2.068 -2.316 3.919 235 HA VAL 62 HA VAL 62 0.343 -0.575 5.612 236 HB VAL 62 HB VAL 62 1.055 0.474 3.597 237 1HG1 VAL 62 1HG1 VAL 62 0.512 -0.301 1.364 238 2HG1 VAL 62 2HG1 VAL 62 1.535 -1.491 2.152 239 3HG1 VAL 62 3HG1 VAL 62 -0.222 -1.779 1.979 240 1HG2 VAL 62 1HG2 VAL 62 -1.085 1.087 2.639 241 2HG2 VAL 62 2HG2 VAL 62 -1.847 -0.396 3.231 242 3HG2 VAL 62 3HG2 VAL 62 -1.292 0.840 4.385 243 H GLY 63 H GLY 63 -1.605 -1.411 6.358 244 1HA GLY 63 1HA GLY 63 -2.677 -3.900 5.036 245 2HA GLY 63 2HA GLY 63 -2.492 -3.720 6.780 246 H GLY 64 H GLY 64 -4.669 -3.501 4.198 247 1HA GLY 64 1HA GLY 64 -6.779 -2.419 5.760 248 2HA GLY 64 2HA GLY 64 -6.115 -1.128 4.742 249 H MET 65 H MET 65 -8.336 -1.204 3.820 250 HA MET 65 HA MET 65 -8.861 -3.482 1.994 251 1HB MET 65 2HB MET 65 -11.186 -2.717 1.980 252 2HB MET 65 3HB MET 65 -10.627 -3.208 3.587 253 1HG MET 65 2HG MET 65 -10.408 -0.896 4.291 254 2HG MET 65 3HG MET 65 -10.678 -0.316 2.649 255 1HE MET 65 1HE MET 65 -12.691 -3.076 4.682 256 2HE MET 65 2HE MET 65 -12.217 -1.813 5.848 257 3HE MET 65 3HE MET 65 -13.933 -2.029 5.405 258 H VAL 66 H VAL 66 -9.441 -3.082 -0.181 259 HA VAL 66 HA VAL 66 -8.324 -0.486 -1.192 260 HB VAL 66 HB VAL 66 -8.542 -3.253 -2.351 261 1HG1 VAL 66 1HG1 VAL 66 -7.864 -0.644 -3.762 262 2HG1 VAL 66 2HG1 VAL 66 -7.355 -2.229 -4.366 263 3HG1 VAL 66 3HG1 VAL 66 -9.070 -1.861 -4.224 264 1HG2 VAL 66 1HG2 VAL 66 -6.645 -2.812 -0.811 265 2HG2 VAL 66 2HG2 VAL 66 -6.007 -2.859 -2.455 266 3HG2 VAL 66 3HG2 VAL 66 -6.285 -1.307 -1.686 267 H THR 67 H THR 67 -9.813 0.963 -1.751 268 HA THR 67 HA THR 67 -12.472 0.830 -2.348 269 HB THR 67 HB THR 67 -10.217 2.427 -3.625 270 HG1 THR 67 1HG THR 67 -10.663 3.882 -1.975 271 1HG2 THR 67 1HG2 THR 67 -13.210 3.037 -3.454 272 2HG2 THR 67 2HG2 THR 67 -11.958 4.182 -3.992 273 3HG2 THR 67 3HG2 THR 67 -12.278 2.728 -4.942 274 H VAL 68 H VAL 68 -13.539 -0.315 -3.819 275 HA VAL 68 HA VAL 68 -12.570 -2.078 -5.619 276 HB VAL 68 HB VAL 68 -14.838 -2.057 -4.906 277 1HG1 VAL 68 1HG1 VAL 68 -15.478 0.248 -6.784 278 2HG1 VAL 68 2HG1 VAL 68 -16.570 -0.620 -5.704 279 3HG1 VAL 68 3HG1 VAL 68 -15.310 0.413 -5.020 280 1HG2 VAL 68 1HG2 VAL 68 -15.955 -2.707 -6.970 281 2HG2 VAL 68 2HG2 VAL 68 -14.724 -1.878 -7.941 282 3HG2 VAL 68 3HG2 VAL 68 -14.281 -3.293 -6.960 283 H GLY 69 H GLY 69 -13.589 1.240 -6.565 284 1HA GLY 69 1HA GLY 69 -12.397 0.947 -9.247 285 2HA GLY 69 2HA GLY 69 -13.280 2.331 -8.593 286 H SER 70 H SER 70 -10.220 0.541 -7.942 287 HA SER 70 HA SER 70 -8.749 3.117 -8.184 288 1HB SER 70 2HB SER 70 -8.653 1.506 -5.602 289 2HB SER 70 3HB SER 70 -7.623 2.884 -6.038 290 HG SER 70 HG SER 70 -10.017 3.729 -6.509 291 H MET 71 H MET 71 -8.488 -0.437 -7.987 292 HA MET 71 HA MET 71 -5.671 -0.544 -8.478 293 1HB MET 71 2HB MET 71 -6.710 -2.538 -7.761 294 2HB MET 71 3HB MET 71 -8.034 -2.331 -8.914 295 1HG MET 71 2HG MET 71 -6.513 -4.213 -9.481 296 2HG MET 71 3HG MET 71 -6.852 -3.041 -10.730 297 1HE MET 71 1HE MET 71 -4.137 -4.723 -8.550 298 2HE MET 71 2HE MET 71 -2.850 -3.480 -8.545 299 3HE MET 71 3HE MET 71 -4.398 -3.172 -7.730 300 H VAL 72 H VAL 72 -4.607 0.303 -10.190 301 HA VAL 72 HA VAL 72 -5.877 0.120 -12.879 302 HB VAL 72 HB VAL 72 -4.720 2.172 -13.556 303 1HG1 VAL 72 1HG1 VAL 72 -6.333 3.728 -12.583 304 2HG1 VAL 72 2HG1 VAL 72 -7.120 2.181 -12.941 305 3HG1 VAL 72 3HG1 VAL 72 -6.690 2.594 -11.268 306 1HG2 VAL 72 1HG2 VAL 72 -4.201 2.609 -10.584 307 2HG2 VAL 72 2HG2 VAL 72 -2.981 2.359 -11.864 308 3HG2 VAL 72 3HG2 VAL 72 -3.986 3.813 -11.870 309 H ARG 73 H ARG 73 -4.578 -0.696 -14.440 310 HA ARG 73 HA ARG 73 -1.942 -1.746 -13.593 311 1HB ARG 73 2HB ARG 73 -2.596 -3.911 -14.596 312 2HB ARG 73 3HB ARG 73 -3.613 -3.473 -13.211 313 1HG ARG 73 2HG ARG 73 -5.034 -2.532 -15.491 314 2HG ARG 73 3HG ARG 73 -4.262 -4.020 -16.024 315 1HD ARG 73 2HD ARG 73 -6.263 -4.858 -15.144 316 2HD ARG 73 3HD ARG 73 -5.187 -5.042 -13.785 317 HE ARG 73 HE ARG 73 -6.316 -3.413 -12.601 318 1HH1 ARG 73 2HH2 ARG 73 -7.376 -3.366 -15.953 319 2HH1 ARG 73 1HH2 ARG 73 -8.777 -2.372 -15.678 320 1HH2 ARG 73 1HH1 ARG 73 -8.043 -1.799 -12.255 321 2HH2 ARG 73 2HH1 ARG 73 -9.228 -1.614 -13.489 322 H ASP 74 H ASP 74 -0.362 -1.735 -15.253 323 HA ASP 74 HA ASP 74 -1.174 -0.175 -17.615 324 1HB ASP 74 2HB ASP 74 1.477 -1.248 -16.603 325 2HB ASP 74 3HB ASP 74 1.303 -0.457 -18.173 326 HA PRO 75 HA PRO 75 -1.401 -3.808 -20.235 327 1HB PRO 75 2HB PRO 75 -0.877 -2.767 -22.719 328 2HB PRO 75 3HB PRO 75 -2.351 -2.331 -21.810 329 1HG PRO 75 2HG PRO 75 0.262 -0.790 -21.918 330 2HG PRO 75 3HG PRO 75 -1.385 -0.161 -22.224 331 1HD PRO 75 2HD PRO 75 -0.188 0.089 -19.796 332 2HD PRO 75 3HD PRO 75 -1.935 -0.252 -19.916 333 H ASN 76 H ASN 76 1.394 -2.622 -19.113 334 HA ASN 76 HA ASN 76 3.205 -4.359 -20.626 335 1HB ASN 76 2HB ASN 76 3.456 -3.083 -17.870 336 2HB ASN 76 3HB ASN 76 4.738 -3.884 -18.796 337 1HD2 ASN 76 1HD2 ASN 76 3.398 -0.841 -18.076 338 2HD2 ASN 76 2HD2 ASN 76 4.095 0.017 -19.431 339 H SER 77 H SER 77 0.743 -4.620 -18.133 340 HA SER 77 HA SER 77 -0.033 -6.287 -16.872 341 1HB SER 77 2HB SER 77 1.514 -8.186 -18.686 342 2HB SER 77 3HB SER 77 0.147 -8.583 -17.642 343 HG SER 77 HG SER 77 -1.073 -7.006 -18.893 344 H LEU 78 H LEU 78 2.586 -5.075 -16.272 345 HA LEU 78 HA LEU 78 3.411 -6.965 -14.129 346 1HB LEU 78 2HB LEU 78 5.681 -5.993 -14.201 347 2HB LEU 78 3HB LEU 78 5.199 -7.189 -15.385 348 HG LEU 78 HG LEU 78 4.585 -4.687 -16.612 349 1HD1 LEU 78 1HD1 LEU 78 6.607 -3.430 -16.503 350 2HD1 LEU 78 2HD1 LEU 78 5.942 -3.651 -14.864 351 3HD1 LEU 78 3HD1 LEU 78 7.342 -4.612 -15.384 352 1HD2 LEU 78 1HD2 LEU 78 6.933 -6.571 -16.984 353 2HD2 LEU 78 2HD2 LEU 78 5.294 -6.797 -17.635 354 3HD2 LEU 78 3HD2 LEU 78 6.290 -5.434 -18.198 355 H HIS 79 H HID 79 2.987 -3.508 -15.120 356 HA HIS 79 HA HID 79 3.461 -2.610 -12.369 357 1HB HIS 79 2HB HID 79 2.842 -1.142 -14.930 358 2HB HIS 79 3HB HID 79 3.034 -0.370 -13.358 359 HD1 HIS 79 1HD HID 79 5.671 -1.325 -12.238 360 HD2 HIS 79 2HD HID 79 4.952 -0.732 -16.345 361 HE1 HIS 79 1HE HID 79 7.942 -0.948 -13.333 362 H VAL 80 H VAL 80 1.894 -2.486 -10.960 363 HA VAL 80 HA VAL 80 -0.929 -2.150 -11.748 364 HB VAL 80 HB VAL 80 -1.520 -4.150 -10.398 365 1HG1 VAL 80 1HG1 VAL 80 0.237 -4.973 -12.727 366 2HG1 VAL 80 2HG1 VAL 80 -1.245 -5.743 -12.128 367 3HG1 VAL 80 3HG1 VAL 80 -1.321 -4.157 -12.910 368 1HG2 VAL 80 1HG2 VAL 80 0.202 -5.981 -10.197 369 2HG2 VAL 80 2HG2 VAL 80 1.475 -4.810 -10.560 370 3HG2 VAL 80 3HG2 VAL 80 0.479 -4.627 -9.107 371 H GLN 81 H GLN 81 -1.480 -0.378 -10.561 372 HA GLN 81 HA GLN 81 -0.355 -0.210 -7.773 373 1HB GLN 81 2HB GLN 81 -0.201 2.175 -7.994 374 2HB GLN 81 3HB GLN 81 0.810 1.375 -9.215 375 1HG GLN 81 2HG GLN 81 -0.859 1.807 -10.941 376 2HG GLN 81 3HG GLN 81 -1.978 2.455 -9.719 377 1HE2 GLN 81 1HE2 GLN 81 -2.182 4.574 -10.480 378 2HE2 GLN 81 2HE2 GLN 81 -0.800 5.641 -10.609 379 H PHE 82 H PHE 82 -1.691 0.848 -6.220 380 HA PHE 82 HA PHE 82 -4.525 1.269 -6.943 381 1HB PHE 82 2HB PHE 82 -5.365 -0.495 -5.476 382 2HB PHE 82 3HB PHE 82 -4.416 -1.144 -6.787 383 HD1 PHE 82 1HD PHE 82 -4.474 -0.609 -3.134 384 HD2 PHE 82 2HD PHE 82 -2.264 -2.280 -6.436 385 HE1 PHE 82 1HE PHE 82 -3.317 -2.166 -1.580 386 HE2 PHE 82 2HE PHE 82 -1.127 -3.839 -4.887 387 HZ PHE 82 HZ PHE 82 -1.725 -3.854 -2.466 388 H ALA 83 H ALA 83 -5.719 2.306 -5.390 389 HA ALA 83 HA ALA 83 -4.237 3.536 -3.148 390 1HB ALA 83 1HB ALA 83 -7.070 4.043 -4.121 391 2HB ALA 83 2HB ALA 83 -6.228 4.898 -2.818 392 3HB ALA 83 3HB ALA 83 -5.643 5.044 -4.485 393 H VAL 84 H VAL 84 -4.655 2.999 -1.064 394 HA VAL 84 HA VAL 84 -6.769 0.965 -0.472 395 HB VAL 84 HB VAL 84 -4.634 -0.205 -0.743 396 1HG1 VAL 84 1HG1 VAL 84 -3.093 1.554 -0.336 397 2HG1 VAL 84 2HG1 VAL 84 -3.584 1.664 1.362 398 3HG1 VAL 84 3HG1 VAL 84 -2.756 0.207 0.766 399 1HG2 VAL 84 1HG2 VAL 84 -5.496 -0.079 2.169 400 2HG2 VAL 84 2HG2 VAL 84 -6.113 -1.166 0.910 401 3HG2 VAL 84 3HG2 VAL 84 -4.446 -1.313 1.458 402 H HIS 85 H HID 85 -7.650 1.089 1.633 403 HA HIS 85 HA HID 85 -7.145 3.517 3.224 404 1HB HIS 85 2HB HID 85 -9.343 4.360 2.909 405 2HB HIS 85 3HB HID 85 -8.767 3.987 1.280 406 HD1 HIS 85 1HD HID 85 -11.662 3.444 3.471 407 HD2 HIS 85 2HD HID 85 -9.778 1.620 0.192 408 HE1 HIS 85 1HE HID 85 -13.418 1.957 2.358 409 H ASP 86 H ASP 86 -8.763 3.468 5.233 410 HA ASP 86 HA ASP 86 -9.884 0.830 5.746 411 1HB ASP 86 2HB ASP 86 -7.527 0.712 6.657 412 2HB ASP 86 3HB ASP 86 -7.885 2.124 7.669 413 H SER 87 H SER 87 -11.050 1.067 7.908 414 HA SER 87 HA SER 87 -12.891 3.287 7.837 415 1HB SER 87 2HB SER 87 -13.425 0.953 8.573 416 2HB SER 87 3HB SER 87 -12.413 1.204 10.010 417 HG SER 87 HG SER 87 -13.807 3.022 10.471 418 H LEU 88 H LEU 88 -9.965 4.001 8.345 419 HA LEU 88 HA LEU 88 -10.280 5.579 10.805 420 1HB LEU 88 2HB LEU 88 -7.954 4.194 9.532 421 2HB LEU 88 3HB LEU 88 -7.629 5.743 10.321 422 HG LEU 88 HG LEU 88 -7.151 3.804 11.713 423 1HD1 LEU 88 1HD1 LEU 88 -9.346 5.570 12.862 424 2HD1 LEU 88 2HD1 LEU 88 -8.117 4.663 13.760 425 3HD1 LEU 88 3HD1 LEU 88 -7.630 6.000 12.706 426 1HD2 LEU 88 1HD2 LEU 88 -10.147 3.338 11.922 427 2HD2 LEU 88 2HD2 LEU 88 -9.038 2.339 10.951 428 3HD2 LEU 88 3HD2 LEU 88 -8.846 2.435 12.710 429 H GLY 89 H GLY 89 -11.149 5.918 7.823 430 1HA GLY 89 1HA GLY 89 -11.676 7.790 6.629 431 2HA GLY 89 2HA GLY 89 -11.311 8.690 8.108 432 H GLY 90 H GLY 90 -9.368 6.895 5.615 433 1HA GLY 90 1HA GLY 90 -8.197 9.179 4.444 434 2HA GLY 90 2HA GLY 90 -7.085 8.509 5.668 435 H GLU 91 H GLU 91 -6.083 8.260 3.157 436 HA GLU 91 HA GLU 91 -6.085 5.423 2.726 437 1HB GLU 91 2HB GLU 91 -6.765 5.537 0.341 438 2HB GLU 91 3HB GLU 91 -8.085 6.031 1.406 439 1HG GLU 91 2HG GLU 91 -7.827 8.328 0.876 440 2HG GLU 91 3HG GLU 91 -6.294 8.043 0.025 441 H ILE 92 H ILE 92 -4.535 4.952 0.796 442 HA ILE 92 HA ILE 92 -2.684 7.098 0.178 443 HB ILE 92 HB ILE 92 -1.986 6.205 2.471 444 1HG1 ILE 92 2HG1 ILE 92 0.374 6.058 2.062 445 2HG1 ILE 92 3HG1 ILE 92 0.140 5.770 0.337 446 1HG2 ILE 92 1HG2 ILE 92 -0.987 4.019 2.651 447 2HG2 ILE 92 2HG2 ILE 92 -2.601 3.823 1.973 448 3HG2 ILE 92 3HG2 ILE 92 -1.172 3.703 0.925 449 1HD1 ILE 92 1HD1 ILE 92 -0.668 8.035 0.006 450 2HD1 ILE 92 2HD1 ILE 92 -0.840 8.287 1.759 451 3HD1 ILE 92 3HD1 ILE 92 0.767 8.147 1.027 452 H LEU 93 H LEU 93 -1.028 6.353 -1.409 453 HA LEU 93 HA LEU 93 -2.215 4.313 -3.192 454 1HB LEU 93 2HB LEU 93 -0.423 6.731 -3.560 455 2HB LEU 93 3HB LEU 93 -0.458 5.484 -4.806 456 HG LEU 93 HG LEU 93 -3.053 6.715 -3.830 457 1HD1 LEU 93 1HD1 LEU 93 -1.602 8.597 -4.549 458 2HD1 LEU 93 2HD1 LEU 93 -1.263 7.749 -6.079 459 3HD1 LEU 93 3HD1 LEU 93 -2.907 8.306 -5.714 460 1HD2 LEU 93 1HD2 LEU 93 -3.792 6.048 -6.092 461 2HD2 LEU 93 2HD2 LEU 93 -2.144 5.524 -6.494 462 3HD2 LEU 93 3HD2 LEU 93 -3.086 4.640 -5.275 463 H VAL 94 H VAL 94 -1.282 2.438 -3.557 464 HA VAL 94 HA VAL 94 1.533 1.931 -2.735 465 HB VAL 94 HB VAL 94 -0.849 0.053 -3.057 466 1HG1 VAL 94 1HG1 VAL 94 1.244 -1.108 -3.638 467 2HG1 VAL 94 2HG1 VAL 94 2.025 -0.471 -2.174 468 3HG1 VAL 94 3HG1 VAL 94 0.689 -1.638 -2.045 469 1HG2 VAL 94 1HG2 VAL 94 -0.957 1.496 -1.014 470 2HG2 VAL 94 2HG2 VAL 94 -0.697 -0.212 -0.631 471 3HG2 VAL 94 3HG2 VAL 94 0.661 0.940 -0.563 472 H THR 95 H THR 95 2.953 1.428 -4.369 473 HA THR 95 HA THR 95 1.851 0.964 -7.112 474 HB THR 95 HB THR 95 4.187 1.788 -7.751 475 HG1 THR 95 1HG THR 95 4.881 1.412 -5.457 476 1HG2 THR 95 1HG2 THR 95 2.218 3.315 -7.844 477 2HG2 THR 95 2HG2 THR 95 2.498 3.771 -6.148 478 3HG2 THR 95 3HG2 THR 95 3.704 4.171 -7.389 479 H TYR 96 H TYR 96 2.412 -1.006 -8.064 480 HA TYR 96 HA TYR 96 4.529 -2.677 -6.809 481 1HB TYR 96 2HB TYR 96 1.830 -3.065 -6.414 482 2HB TYR 96 3HB TYR 96 2.057 -3.911 -7.923 483 HD1 TYR 96 HD1 TYR 96 2.094 -4.250 -4.428 484 HD2 TYR 96 HD2 TYR 96 4.053 -5.681 -7.985 485 HE1 TYR 96 HE1 TYR 96 2.352 -6.490 -3.419 486 HE2 TYR 96 HE2 TYR 96 4.226 -7.930 -6.996 487 HH TYR 96 HH TYR 96 4.020 -8.964 -4.525 488 H ASP 97 H ASP 97 5.843 -3.632 -8.420 489 HA ASP 97 HA ASP 97 5.142 -3.171 -11.260 490 1HB ASP 97 2HB ASP 97 7.522 -2.592 -11.474 491 2HB ASP 97 3HB ASP 97 6.693 -1.518 -10.332 492 H ASP 98 H ASP 98 4.663 -5.710 -9.843 493 HA ASP 98 HA ASP 98 6.060 -7.418 -11.712 494 1HB ASP 98 2HB ASP 98 7.682 -6.981 -9.690 495 2HB ASP 98 3HB ASP 98 6.610 -8.035 -8.777 496 H LEU 99 H LEU 99 3.470 -7.088 -11.766 497 HA LEU 99 HA LEU 99 1.415 -7.991 -11.588 498 1HB LEU 99 2HB LEU 99 3.150 -10.475 -11.318 499 2HB LEU 99 3HB LEU 99 1.405 -10.568 -11.296 500 HG LEU 99 HG LEU 99 1.844 -8.975 -13.511 501 1HD1 LEU 99 1HD1 LEU 99 3.860 -11.265 -13.507 502 2HD1 LEU 99 2HD1 LEU 99 3.461 -10.223 -14.888 503 3HD1 LEU 99 3HD1 LEU 99 4.265 -9.535 -13.464 504 1HD2 LEU 99 1HD2 LEU 99 1.081 -10.946 -14.771 505 2HD2 LEU 99 2HD2 LEU 99 1.398 -11.981 -13.361 506 3HD2 LEU 99 3HD2 LEU 99 0.143 -10.723 -13.286 507 H LEU 100 H LEU 100 0.141 -9.876 -9.955 508 HA LEU 100 HA LEU 100 0.717 -9.189 -7.186 509 1HB LEU 100 2HB LEU 100 -1.519 -8.089 -8.934 510 2HB LEU 100 3HB LEU 100 -1.943 -8.514 -7.301 511 HG LEU 100 HG LEU 100 0.337 -6.601 -7.919 512 1HD1 LEU 100 1HD1 LEU 100 -1.875 -5.795 -8.805 513 2HD1 LEU 100 2HD1 LEU 100 -2.472 -5.841 -7.139 514 3HD1 LEU 100 3HD1 LEU 100 -1.139 -4.768 -7.544 515 1HD2 LEU 100 1HD2 LEU 100 -0.001 -5.849 -5.623 516 2HD2 LEU 100 2HD2 LEU 100 -1.291 -7.040 -5.391 517 3HD2 LEU 100 3HD2 LEU 100 0.387 -7.574 -5.668 518 HA PRO 101 HA PRO 101 -0.891 -13.288 -6.679 519 1HB PRO 101 2HB PRO 101 -2.317 -13.219 -4.339 520 2HB PRO 101 3HB PRO 101 -0.546 -12.976 -4.382 521 1HG PRO 101 2HG PRO 101 -2.679 -10.798 -4.426 522 2HG PRO 101 3HG PRO 101 -1.370 -10.948 -3.256 523 1HD PRO 101 2HD PRO 101 -1.065 -9.412 -5.444 524 2HD PRO 101 3HD PRO 101 0.295 -10.511 -5.053 525 H ASP 102 H ASP 102 -2.514 -14.273 -7.849 526 HA ASP 102 HA ASP 102 -4.410 -14.427 -9.124 527 1HB ASP 102 2HB ASP 102 -5.641 -13.731 -6.427 528 2HB ASP 102 3HB ASP 102 -6.467 -14.528 -7.771 529 H LEU 103 H LEU 103 -3.177 -11.972 -9.518 530 HA LEU 103 HA LEU 103 -3.529 -10.022 -10.583 531 1HB LEU 103 2HB LEU 103 -5.041 -10.901 -12.025 532 2HB LEU 103 3HB LEU 103 -6.281 -11.208 -10.848 533 HG LEU 103 HG LEU 103 -6.993 -9.662 -12.419 534 1HD1 LEU 103 1HD1 LEU 103 -6.839 -7.963 -9.953 535 2HD1 LEU 103 2HD1 LEU 103 -8.159 -8.233 -11.080 536 3HD1 LEU 103 3HD1 LEU 103 -7.695 -9.521 -9.958 537 1HD2 LEU 103 1HD2 LEU 103 -4.747 -7.782 -11.627 538 2HD2 LEU 103 2HD2 LEU 103 -5.016 -8.576 -13.185 539 3HD2 LEU 103 3HD2 LEU 103 -6.160 -7.351 -12.603 540 H PHE 104 H PHE 104 -4.839 -10.668 -7.504 541 HA PHE 104 HA PHE 104 -5.523 -9.556 -5.789 542 1HB PHE 104 2HB PHE 104 -3.442 -8.374 -5.813 543 2HB PHE 104 3HB PHE 104 -4.090 -7.204 -6.999 544 HD1 PHE 104 1HD PHE 104 -4.006 -5.059 -5.739 545 HD2 PHE 104 2HD PHE 104 -5.409 -8.604 -3.729 546 HE1 PHE 104 1HE PHE 104 -5.586 -3.706 -4.486 547 HE2 PHE 104 2HE PHE 104 -6.979 -7.226 -2.441 548 HZ PHE 104 HZ PHE 104 -7.179 -4.815 -2.873 549 H ARG 105 H ARG 105 -7.571 -10.010 -6.450 550 HA ARG 105 HA ARG 105 -9.136 -8.375 -8.202 551 1HB ARG 105 2HB ARG 105 -9.884 -10.359 -6.013 552 2HB ARG 105 3HB ARG 105 -11.037 -9.718 -7.189 553 1HG ARG 105 2HG ARG 105 -10.073 -10.887 -8.986 554 2HG ARG 105 3HG ARG 105 -8.540 -11.149 -8.158 555 1HD ARG 105 2HD ARG 105 -9.199 -12.991 -7.079 556 2HD ARG 105 3HD ARG 105 -10.777 -12.367 -6.644 557 HE ARG 105 HE ARG 105 -10.090 -14.065 -8.876 558 1HH1 ARG 105 2HH2 ARG 105 -12.286 -11.513 -7.906 559 2HH1 ARG 105 1HH2 ARG 105 -13.670 -12.091 -8.785 560 1HH2 ARG 105 1HH1 ARG 105 -11.891 -14.900 -10.103 561 2HH2 ARG 105 2HH1 ARG 105 -13.410 -14.064 -10.107 562 H GLU 106 H GLU 106 -10.443 -6.624 -7.775 563 HA GLU 106 HA GLU 106 -9.789 -5.164 -5.442 564 1HB GLU 106 2HB GLU 106 -11.882 -4.586 -7.603 565 2HB GLU 106 3HB GLU 106 -11.127 -3.441 -6.486 566 1HG GLU 106 2HG GLU 106 -9.968 -3.018 -8.332 567 2HG GLU 106 3HG GLU 106 -8.865 -4.172 -7.553 568 H GLY 107 H GLY 107 -11.396 -4.011 -4.045 569 1HA GLY 107 1HA GLY 107 -13.193 -3.955 -2.620 570 2HA GLY 107 2HA GLY 107 -14.047 -5.117 -3.647 571 H GLN 108 H GLN 108 -10.893 -5.367 -1.931 572 HA GLN 108 HA GLN 108 -11.989 -6.981 0.200 573 1HB GLN 108 2HB GLN 108 -10.537 -8.869 -0.068 574 2HB GLN 108 3HB GLN 108 -11.374 -8.665 -1.613 575 1HG GLN 108 2HG GLN 108 -9.351 -7.436 -2.481 576 2HG GLN 108 3HG GLN 108 -8.543 -7.751 -0.933 577 1HE2 GLN 108 1HE2 GLN 108 -9.659 -9.230 -3.916 578 2HE2 GLN 108 2HE2 GLN 108 -8.906 -10.803 -3.625 579 H GLY 109 H GLY 109 -9.803 -7.493 1.638 580 1HA GLY 109 1HA GLY 109 -7.946 -5.206 1.383 581 2HA GLY 109 2HA GLY 109 -8.669 -5.584 2.984 582 H ILE 110 H ILE 110 -5.926 -5.483 2.116 583 HA ILE 110 HA ILE 110 -5.024 -8.220 2.691 584 HB ILE 110 HB ILE 110 -3.614 -8.528 0.878 585 1HG1 ILE 110 2HG1 ILE 110 -2.586 -6.433 0.500 586 2HG1 ILE 110 3HG1 ILE 110 -3.163 -7.178 -0.985 587 1HG2 ILE 110 1HG2 ILE 110 -5.080 -8.664 -1.060 588 2HG2 ILE 110 2HG2 ILE 110 -5.996 -9.058 0.403 589 3HG2 ILE 110 3HG2 ILE 110 -6.188 -7.480 -0.346 590 1HD1 ILE 110 1HD1 ILE 110 -3.554 -4.851 -1.116 591 2HD1 ILE 110 2HD1 ILE 110 -5.120 -5.648 -0.993 592 3HD1 ILE 110 3HD1 ILE 110 -4.436 -4.817 0.430 593 H VAL 111 H VAL 111 -2.557 -8.181 2.965 594 HA VAL 111 HA VAL 111 -1.696 -5.547 4.080 595 HB VAL 111 HB VAL 111 -0.113 -6.797 5.446 596 1HG1 VAL 111 1HG1 VAL 111 -1.758 -7.470 7.199 597 2HG1 VAL 111 2HG1 VAL 111 -2.145 -5.913 6.455 598 3HG1 VAL 111 3HG1 VAL 111 -3.061 -7.357 5.997 599 1HG2 VAL 111 1HG2 VAL 111 -1.761 -9.301 5.345 600 2HG2 VAL 111 2HG2 VAL 111 -0.591 -9.064 4.056 601 3HG2 VAL 111 3HG2 VAL 111 -0.067 -9.095 5.745 602 H ALA 112 H ALA 112 -0.023 -4.631 3.073 603 HA ALA 112 HA ALA 112 1.469 -6.198 1.021 604 1HB ALA 112 1HB ALA 112 1.408 -4.373 -0.441 605 2HB ALA 112 2HB ALA 112 -0.226 -4.312 0.261 606 3HB ALA 112 3HB ALA 112 1.039 -3.222 0.827 607 H GLN 113 H GLN 113 3.693 -6.132 1.233 608 HA GLN 113 HA GLN 113 4.874 -4.195 3.180 609 1HB GLN 113 2HB GLN 113 4.648 -6.350 4.181 610 2HB GLN 113 3HB GLN 113 5.359 -7.156 2.805 611 1HG GLN 113 2HG GLN 113 6.968 -5.044 4.314 612 2HG GLN 113 3HG GLN 113 6.773 -6.665 5.014 613 1HE2 GLN 113 1HE2 GLN 113 7.004 -8.457 3.153 614 2HE2 GLN 113 2HE2 GLN 113 8.305 -8.161 2.011 615 H GLY 114 H GLY 114 6.765 -3.237 2.716 616 1HA GLY 114 1HA GLY 114 8.791 -4.029 1.118 617 2HA GLY 114 2HA GLY 114 7.797 -3.130 -0.013 618 H VAL 115 H VAL 115 8.559 -1.019 -0.127 619 HA VAL 115 HA VAL 115 9.663 0.214 2.343 620 HB VAL 115 HB VAL 115 11.550 -0.761 1.197 621 1HG1 VAL 115 1HG1 VAL 115 12.212 -0.096 -1.085 622 2HG1 VAL 115 2HG1 VAL 115 10.639 -0.899 -1.121 623 3HG1 VAL 115 3HG1 VAL 115 10.737 0.870 -1.252 624 1HG2 VAL 115 1HG2 VAL 115 12.994 1.128 0.839 625 2HG2 VAL 115 2HG2 VAL 115 11.620 2.232 0.838 626 3HG2 VAL 115 3HG2 VAL 115 12.022 1.299 2.292 627 H LEU 116 H LEU 116 9.676 2.486 2.320 628 HA LEU 116 HA LEU 116 7.526 3.736 0.901 629 1HB LEU 116 2HB LEU 116 10.007 4.667 2.355 630 2HB LEU 116 3HB LEU 116 9.120 5.831 1.360 631 HG LEU 116 HG LEU 116 8.487 5.897 3.750 632 1HD1 LEU 116 1HD1 LEU 116 6.990 6.663 1.969 633 2HD1 LEU 116 2HD1 LEU 116 6.224 5.070 1.879 634 3HD1 LEU 116 3HD1 LEU 116 6.092 6.003 3.363 635 1HD2 LEU 116 1HD2 LEU 116 7.030 4.192 4.721 636 2HD2 LEU 116 2HD2 LEU 116 7.211 3.158 3.297 637 3HD2 LEU 116 3HD2 LEU 116 8.611 3.505 4.339 638 H GLY 117 H GLY 117 7.365 4.645 -1.102 639 1HA GLY 117 1HA GLY 117 9.363 3.819 -3.081 640 2HA GLY 117 2HA GLY 117 7.794 4.611 -3.336 641 H GLU 118 H GLU 118 8.450 6.292 -4.602 642 HA GLU 118 HA GLU 118 10.786 7.792 -4.351 643 1HB GLU 118 2HB GLU 118 9.164 7.684 -6.301 644 2HB GLU 118 3HB GLU 118 8.086 8.757 -5.407 645 1HG GLU 118 2HG GLU 118 9.903 10.467 -5.301 646 2HG GLU 118 3HG GLU 118 10.948 9.384 -6.230 647 H ASP 119 H ASP 119 7.481 8.712 -3.240 648 HA ASP 119 HA ASP 119 8.173 9.980 -0.882 649 1HB ASP 119 2HB ASP 119 9.278 11.667 -2.428 650 2HB ASP 119 3HB ASP 119 7.706 11.939 -3.195 651 H GLY 120 H GLY 120 6.316 9.452 0.011 652 1HA GLY 120 1HA GLY 120 4.047 9.788 0.599 653 2HA GLY 120 2HA GLY 120 3.697 10.366 -1.033 654 H LYS 121 H LYS 121 4.914 8.347 -2.485 655 HA LYS 121 HA LYS 121 2.819 6.331 -2.483 656 1HB LYS 121 2HB LYS 121 5.033 7.320 -4.286 657 2HB LYS 121 3HB LYS 121 4.591 5.635 -4.474 658 1HG LYS 121 2HG LYS 121 3.252 6.947 -5.985 659 2HG LYS 121 3HG LYS 121 2.276 6.167 -4.739 660 1HD LYS 121 2HD LYS 121 1.239 8.166 -4.850 661 2HD LYS 121 3HD LYS 121 2.314 8.503 -3.517 662 1HE LYS 121 2HE LYS 121 2.684 9.296 -6.457 663 2HE LYS 121 3HE LYS 121 2.087 10.327 -5.161 664 1HZ LYS 121 1HZ LYS 121 4.407 10.763 -5.601 665 2HZ LYS 121 2HZ LYS 121 4.345 10.096 -4.112 666 3HZ LYS 121 3HZ LYS 121 4.819 9.200 -5.393 667 H LEU 122 H LEU 122 3.008 4.140 -2.114 668 HA LEU 122 HA LEU 122 5.402 3.294 -0.524 669 1HB LEU 122 2HB LEU 122 2.491 2.453 -0.648 670 2HB LEU 122 3HB LEU 122 3.710 1.407 0.074 671 HG LEU 122 HG LEU 122 2.387 2.805 1.677 672 1HD1 LEU 122 1HD1 LEU 122 4.400 3.483 3.031 673 2HD1 LEU 122 2HD1 LEU 122 4.369 1.796 2.475 674 3HD1 LEU 122 3HD1 LEU 122 5.410 2.973 1.667 675 1HD2 LEU 122 1HD2 LEU 122 2.842 5.125 2.005 676 2HD2 LEU 122 2HD2 LEU 122 4.085 5.146 0.755 677 3HD2 LEU 122 3HD2 LEU 122 2.376 4.911 0.313 678 H ALA 123 H ALA 123 6.810 1.794 -1.417 679 HA ALA 123 HA ALA 123 5.938 0.447 -3.929 680 1HB ALA 123 1HB ALA 123 8.357 0.043 -4.243 681 2HB ALA 123 2HB ALA 123 7.976 1.774 -4.170 682 3HB ALA 123 3HB ALA 123 8.711 0.968 -2.768 683 H ALA 124 H ALA 124 4.645 -1.042 -2.829 684 HA ALA 124 HA ALA 124 5.943 -2.891 -0.885 685 1HB ALA 124 1HB ALA 124 3.035 -2.629 -1.656 686 2HB ALA 124 2HB ALA 124 3.729 -3.730 -0.447 687 3HB ALA 124 3HB ALA 124 3.794 -1.976 -0.180 688 H THR 125 H THR 125 6.278 -5.059 -1.508 689 HA THR 125 HA THR 125 5.086 -5.872 -4.075 690 HB THR 125 HB THR 125 7.297 -5.009 -4.668 691 HG1 THR 125 1HG THR 125 6.253 -7.548 -5.202 692 1HG2 THR 125 1HG2 THR 125 9.260 -6.359 -4.260 693 2HG2 THR 125 2HG2 THR 125 8.558 -5.946 -2.679 694 3HG2 THR 125 3HG2 THR 125 8.323 -7.566 -3.373 695 H GLU 126 H GLU 126 5.635 -6.789 -0.846 696 HA GLU 126 HA GLU 126 4.772 -9.574 -1.602 697 1HB GLU 126 2HB GLU 126 5.970 -8.413 0.937 698 2HB GLU 126 3HB GLU 126 5.096 -9.951 0.872 699 1HG GLU 126 2HG GLU 126 7.321 -10.600 0.731 700 2HG GLU 126 3HG GLU 126 6.759 -10.692 -0.941 701 H VAL 127 H VAL 127 2.561 -9.146 -2.066 702 HA VAL 127 HA VAL 127 1.016 -8.076 0.236 703 HB VAL 127 HB VAL 127 -0.978 -8.331 -1.236 704 1HG1 VAL 127 1HG1 VAL 127 -0.411 -6.199 -0.728 705 2HG1 VAL 127 2HG1 VAL 127 1.093 -6.209 -1.680 706 3HG1 VAL 127 3HG1 VAL 127 -0.491 -6.167 -2.494 707 1HG2 VAL 127 1HG2 VAL 127 0.344 -9.687 -2.981 708 2HG2 VAL 127 2HG2 VAL 127 -0.808 -8.429 -3.522 709 3HG2 VAL 127 3HG2 VAL 127 0.939 -8.139 -3.541 710 H LEU 128 H LEU 128 -0.100 -9.337 1.510 711 HA LEU 128 HA LEU 128 -0.352 -12.251 0.807 712 1HB LEU 128 2HB LEU 128 -0.408 -11.194 3.629 713 2HB LEU 128 3HB LEU 128 -0.244 -12.829 3.043 714 HG LEU 128 HG LEU 128 1.800 -12.227 3.961 715 1HD1 LEU 128 1HD1 LEU 128 1.997 -13.466 1.825 716 2HD1 LEU 128 2HD1 LEU 128 2.276 -11.928 0.978 717 3HD1 LEU 128 3HD1 LEU 128 3.419 -12.470 2.209 718 1HD2 LEU 128 1HD2 LEU 128 3.181 -10.350 3.503 719 2HD2 LEU 128 2HD2 LEU 128 2.111 -9.735 2.250 720 3HD2 LEU 128 3HD2 LEU 128 1.581 -9.750 3.944 721 H ALA 129 H ALA 129 -2.385 -12.466 0.007 722 HA ALA 129 HA ALA 129 -4.486 -10.604 0.845 723 1HB ALA 129 1HB ALA 129 -4.468 -12.713 -1.355 724 2HB ALA 129 2HB ALA 129 -5.677 -11.431 -1.137 725 3HB ALA 129 3HB ALA 129 -4.011 -11.007 -1.566 726 H LYS 130 H LYS 130 -3.895 -12.268 2.900 727 HA LYS 130 HA LYS 130 -5.844 -14.422 3.031 728 1HB LYS 130 2HB LYS 130 -5.008 -14.898 5.130 729 2HB LYS 130 3HB LYS 130 -3.646 -14.484 4.110 730 1HG LYS 130 2HG LYS 130 -4.756 -13.011 6.505 731 2HG LYS 130 3HG LYS 130 -3.189 -13.701 6.219 732 1HD LYS 130 2HD LYS 130 -2.731 -11.467 6.182 733 2HD LYS 130 3HD LYS 130 -2.715 -11.918 4.498 734 1HE LYS 130 2HE LYS 130 -3.820 -9.693 4.959 735 2HE LYS 130 3HE LYS 130 -4.921 -10.777 4.165 736 1HZ LYS 130 1HZ LYS 130 -5.977 -11.245 6.169 737 2HZ LYS 130 2HZ LYS 130 -4.875 -10.397 7.079 738 3HZ LYS 130 3HZ LYS 130 -5.888 -9.613 6.036 739 H HIS 131 H HID 131 -7.543 -12.727 2.258 740 HA HIS 131 HA HID 131 -8.720 -11.165 4.466 741 1HB HIS 131 2HB HID 131 -10.350 -10.409 3.004 742 2HB HIS 131 3HB HID 131 -8.843 -10.393 2.097 743 HD1 HIS 131 1HD HID 131 -12.256 -12.124 2.198 744 HD2 HIS 131 2HD HID 131 -8.654 -12.146 0.010 745 HE1 HIS 131 1HE HID 131 -12.733 -13.332 0.002 746 H ASP 132 H ASP 132 -9.690 -14.048 2.534 747 HA ASP 132 HA ASP 132 -10.705 -15.378 4.935 748 1HB ASP 132 2HB ASP 132 -12.428 -14.603 2.546 749 2HB ASP 132 3HB ASP 132 -12.702 -16.130 3.377 Start of MODEL 33 1 H SER 32 H SER 32 14.859 1.760 17.323 2 HA SER 32 HA SER 32 12.714 2.085 18.031 3 1HB SER 32 2HB SER 32 13.526 4.987 17.600 4 2HB SER 32 3HB SER 32 12.239 4.404 18.678 5 HG SER 32 HG SER 32 14.340 4.746 19.709 6 H ASN 33 H ASN 33 12.656 1.312 15.430 7 HA ASN 33 HA ASN 33 10.088 2.300 14.480 8 1HB ASN 33 2HB ASN 33 12.682 2.864 13.051 9 2HB ASN 33 3HB ASN 33 11.453 2.067 12.079 10 1HD2 ASN 33 1HD2 ASN 33 11.268 4.730 14.543 11 2HD2 ASN 33 2HD2 ASN 33 10.496 5.844 13.414 12 H LEU 34 H LEU 34 9.010 0.411 13.887 13 HA LEU 34 HA LEU 34 10.582 -2.039 13.249 14 1HB LEU 34 2HB LEU 34 8.231 -1.678 15.150 15 2HB LEU 34 3HB LEU 34 8.421 -3.176 14.259 16 HG LEU 34 HG LEU 34 9.250 -3.416 16.471 17 1HD1 LEU 34 1HD1 LEU 34 11.610 -3.520 14.550 18 2HD1 LEU 34 2HD1 LEU 34 11.362 -4.474 16.018 19 3HD1 LEU 34 3HD1 LEU 34 10.297 -4.716 14.623 20 1HD2 LEU 34 1HD2 LEU 34 10.011 -1.045 16.842 21 2HD2 LEU 34 2HD2 LEU 34 11.122 -2.303 17.416 22 3HD2 LEU 34 3HD2 LEU 34 11.481 -1.441 15.917 23 H ASN 35 H ASN 35 9.266 -3.548 11.959 24 HA ASN 35 HA ASN 35 7.661 -2.019 9.947 25 1HB ASN 35 2HB ASN 35 9.147 -4.562 9.326 26 2HB ASN 35 3HB ASN 35 8.698 -3.237 8.256 27 1HD2 ASN 35 1HD2 ASN 35 10.015 -1.129 8.629 28 2HD2 ASN 35 2HD2 ASN 35 11.657 -1.309 9.242 29 H LEU 36 H LEU 36 5.480 -2.568 10.176 30 HA LEU 36 HA LEU 36 4.734 -5.381 10.436 31 1HB LEU 36 2HB LEU 36 3.504 -5.209 12.428 32 2HB LEU 36 3HB LEU 36 5.135 -4.665 12.746 33 HG LEU 36 HG LEU 36 3.724 -3.323 13.997 34 1HD1 LEU 36 1HD1 LEU 36 5.530 -2.049 12.835 35 2HD1 LEU 36 2HD1 LEU 36 4.335 -1.543 11.610 36 3HD1 LEU 36 3HD1 LEU 36 4.132 -1.064 13.299 37 1HD2 LEU 36 1HD2 LEU 36 2.043 -2.466 11.631 38 2HD2 LEU 36 2HD2 LEU 36 1.604 -3.795 12.735 39 3HD2 LEU 36 3HD2 LEU 36 1.789 -2.147 13.347 40 H PHE 37 H PHE 37 2.234 -5.476 10.605 41 HA PHE 37 HA PHE 37 1.238 -3.933 8.304 42 1HB PHE 37 2HB PHE 37 0.539 -6.583 9.583 43 2HB PHE 37 3HB PHE 37 -0.766 -5.672 8.855 44 HD1 PHE 37 1HD PHE 37 1.501 -8.217 8.037 45 HD2 PHE 37 2HD PHE 37 -0.180 -4.551 6.520 46 HE1 PHE 37 1HE PHE 37 2.184 -8.849 5.733 47 HE2 PHE 37 2HE PHE 37 0.687 -5.075 4.303 48 HZ PHE 37 HZ PHE 37 1.772 -7.292 3.839 49 H TYR 38 H TYR 38 0.366 -2.064 8.719 50 HA TYR 38 HA TYR 38 -1.839 -2.015 10.738 51 1HB TYR 38 2HB TYR 38 -1.083 0.305 11.428 52 2HB TYR 38 3HB TYR 38 -0.170 -1.075 12.006 53 HD1 TYR 38 HD1 TYR 38 0.413 0.171 8.518 54 HD2 TYR 38 HD2 TYR 38 1.651 0.393 12.651 55 HE1 TYR 38 HE1 TYR 38 2.533 1.067 7.824 56 HE2 TYR 38 HE2 TYR 38 3.748 1.491 11.942 57 HH TYR 38 HH TYR 38 4.448 2.189 8.510 58 H THR 39 H THR 39 -3.019 0.300 10.515 59 HA THR 39 HA THR 39 -4.317 0.026 8.005 60 HB THR 39 HB THR 39 -5.541 2.115 8.985 61 HG1 THR 39 1HG THR 39 -5.081 2.394 11.203 62 1HG2 THR 39 1HG2 THR 39 -6.735 0.743 10.636 63 2HG2 THR 39 2HG2 THR 39 -6.426 -0.191 9.167 64 3HG2 THR 39 3HG2 THR 39 -5.431 -0.468 10.616 65 HA PRO 40 HA PRO 40 -1.961 2.890 5.609 66 1HB PRO 40 2HB PRO 40 -3.992 4.060 4.064 67 2HB PRO 40 3HB PRO 40 -3.061 2.610 3.673 68 1HG PRO 40 2HG PRO 40 -5.820 2.819 4.729 69 2HG PRO 40 3HG PRO 40 -5.096 1.503 3.789 70 1HD PRO 40 2HD PRO 40 -5.595 1.362 6.510 71 2HD PRO 40 3HD PRO 40 -4.350 0.396 5.667 72 H SER 41 H SER 41 -4.945 4.134 7.117 73 HA SER 41 HA SER 41 -4.543 6.855 7.045 74 1HB SER 41 2HB SER 41 -6.518 5.813 8.052 75 2HB SER 41 3HB SER 41 -5.554 5.250 9.432 76 HG SER 41 HG SER 41 -6.651 7.231 9.827 77 H GLU 42 H GLU 42 -2.821 4.546 9.219 78 HA GLU 42 HA GLU 42 -1.633 6.486 10.872 79 1HB GLU 42 2HB GLU 42 -1.495 4.060 11.307 80 2HB GLU 42 3HB GLU 42 -0.373 3.856 9.948 81 1HG GLU 42 2HG GLU 42 1.239 5.312 10.985 82 2HG GLU 42 3HG GLU 42 0.102 5.801 12.266 83 H ILE 43 H ILE 43 -0.700 5.372 7.606 84 HA ILE 43 HA ILE 43 1.489 7.366 7.588 85 HB ILE 43 HB ILE 43 2.345 6.319 5.613 86 1HG1 ILE 43 2HG1 ILE 43 0.161 5.065 5.065 87 2HG1 ILE 43 3HG1 ILE 43 1.734 4.348 4.720 88 1HG2 ILE 43 1HG2 ILE 43 3.464 4.524 6.823 89 2HG2 ILE 43 2HG2 ILE 43 3.361 6.013 7.755 90 3HG2 ILE 43 3HG2 ILE 43 2.282 4.663 8.147 91 1HD1 ILE 43 1HD1 ILE 43 -0.032 3.577 7.081 92 2HD1 ILE 43 2HD1 ILE 43 0.284 2.640 5.609 93 3HD1 ILE 43 3HD1 ILE 43 1.585 2.938 6.750 94 H VAL 44 H VAL 44 -1.327 8.202 7.501 95 HA VAL 44 HA VAL 44 -1.064 9.645 4.889 96 HB VAL 44 HB VAL 44 -3.182 8.178 5.547 97 1HG1 VAL 44 1HG1 VAL 44 -3.717 9.615 7.587 98 2HG1 VAL 44 2HG1 VAL 44 -4.027 10.958 6.470 99 3HG1 VAL 44 3HG1 VAL 44 -5.018 9.496 6.399 100 1HG2 VAL 44 1HG2 VAL 44 -2.802 9.298 3.405 101 2HG2 VAL 44 2HG2 VAL 44 -4.465 9.545 3.957 102 3HG2 VAL 44 3HG2 VAL 44 -3.275 10.855 4.111 103 H ASN 45 H ASN 45 -1.261 10.096 8.410 104 HA ASN 45 HA ASN 45 -1.185 13.074 7.977 105 1HB ASN 45 2HB ASN 45 -2.316 11.447 10.285 106 2HB ASN 45 3HB ASN 45 -2.103 13.200 10.273 107 1HD2 ASN 45 1HD2 ASN 45 -4.378 10.786 9.706 108 2HD2 ASN 45 2HD2 ASN 45 -5.474 11.742 8.727 109 H GLY 46 H GLY 46 0.898 13.736 8.214 110 1HA GLY 46 1HA GLY 46 2.834 14.268 9.341 111 2HA GLY 46 2HA GLY 46 1.968 13.829 10.823 112 H LYS 47 H LYS 47 2.958 11.900 8.030 113 HA LYS 47 HA LYS 47 4.991 10.427 9.473 114 1HB LYS 47 2HB LYS 47 2.540 9.090 8.280 115 2HB LYS 47 3HB LYS 47 4.021 8.235 8.764 116 1HG LYS 47 2HG LYS 47 3.482 9.573 11.082 117 2HG LYS 47 3HG LYS 47 1.857 9.486 10.411 118 1HD LYS 47 2HD LYS 47 1.837 7.531 11.546 119 2HD LYS 47 3HD LYS 47 2.568 6.902 10.053 120 1HE LYS 47 2HE LYS 47 4.840 7.267 11.095 121 2HE LYS 47 3HE LYS 47 4.024 7.910 12.524 122 1HZ LYS 47 1HZ LYS 47 3.941 5.113 11.509 123 2HZ LYS 47 2HZ LYS 47 4.582 5.615 12.927 124 3HZ LYS 47 3HZ LYS 47 2.972 5.563 12.694 125 H THR 48 H THR 48 3.783 8.887 6.590 126 HA THR 48 HA THR 48 6.185 9.691 5.244 127 HB THR 48 HB THR 48 5.102 7.466 4.977 128 HG1 THR 48 1HG THR 48 5.822 9.075 2.756 129 1HG2 THR 48 1HG2 THR 48 3.408 7.097 3.314 130 2HG2 THR 48 2HG2 THR 48 2.770 8.320 4.428 131 3HG2 THR 48 3HG2 THR 48 3.378 8.793 2.832 132 H ASP 49 H ASP 49 2.701 10.500 4.658 133 HA ASP 49 HA ASP 49 2.915 11.797 2.272 134 1HB ASP 49 2HB ASP 49 0.790 11.408 3.400 135 2HB ASP 49 3HB ASP 49 1.191 12.598 4.655 136 H THR 50 H THR 50 3.371 13.219 5.480 137 HA THR 50 HA THR 50 4.380 15.763 4.462 138 HB THR 50 HB THR 50 4.446 14.967 7.361 139 HG1 THR 50 1HG THR 50 2.114 15.224 5.794 140 1HG2 THR 50 1HG2 THR 50 3.577 17.248 7.665 141 2HG2 THR 50 2HG2 THR 50 5.028 17.284 6.644 142 3HG2 THR 50 3HG2 THR 50 3.422 17.449 5.906 143 H GLY 51 H GLY 51 5.787 12.735 5.051 144 1HA GLY 51 1HA GLY 51 7.828 11.898 5.460 145 2HA GLY 51 2HA GLY 51 8.417 13.342 4.628 146 H VAL 52 H VAL 52 6.804 12.923 7.840 147 HA VAL 52 HA VAL 52 9.000 14.660 8.943 148 HB VAL 52 HB VAL 52 7.551 15.020 10.889 149 1HG1 VAL 52 1HG1 VAL 52 6.136 16.653 9.701 150 2HG1 VAL 52 2HG1 VAL 52 7.794 16.643 9.079 151 3HG1 VAL 52 3HG1 VAL 52 6.503 15.850 8.161 152 1HG2 VAL 52 1HG2 VAL 52 5.408 13.695 9.179 153 2HG2 VAL 52 2HG2 VAL 52 5.994 13.137 10.764 154 3HG2 VAL 52 3HG2 VAL 52 5.124 14.664 10.636 155 H LYS 53 H LYS 53 7.282 11.701 10.073 156 HA LYS 53 HA LYS 53 9.562 11.226 11.888 157 1HB LYS 53 2HB LYS 53 6.696 10.525 11.875 158 2HB LYS 53 3HB LYS 53 7.748 9.223 12.423 159 1HG LYS 53 2HG LYS 53 7.959 12.082 13.447 160 2HG LYS 53 3HG LYS 53 6.854 10.922 14.168 161 1HD LYS 53 2HD LYS 53 9.886 10.499 13.975 162 2HD LYS 53 3HD LYS 53 9.033 11.161 15.374 163 1HE LYS 53 2HE LYS 53 7.655 9.042 15.473 164 2HE LYS 53 3HE LYS 53 8.675 8.353 14.202 165 1HZ LYS 53 1HZ LYS 53 9.427 7.665 16.331 166 2HZ LYS 53 2HZ LYS 53 10.574 8.615 15.638 167 3HZ LYS 53 3HZ LYS 53 9.626 9.212 16.846 168 HA PRO 54 HA PRO 54 10.137 7.361 9.341 169 1HB PRO 54 2HB PRO 54 8.360 6.371 7.570 170 2HB PRO 54 3HB PRO 54 8.088 6.221 9.332 171 1HG PRO 54 2HG PRO 54 6.844 8.196 7.416 172 2HG PRO 54 3HG PRO 54 6.078 7.289 8.744 173 1HD PRO 54 2HD PRO 54 7.100 9.935 8.871 174 2HD PRO 54 3HD PRO 54 6.732 8.887 10.284 175 H GLU 55 H GLU 55 11.827 8.237 8.089 176 HA GLU 55 HA GLU 55 11.318 9.871 5.718 177 1HB GLU 55 2HB GLU 55 13.795 8.393 6.748 178 2HB GLU 55 3HB GLU 55 13.730 9.323 5.251 179 1HG GLU 55 2HG GLU 55 12.986 11.334 6.623 180 2HG GLU 55 3HG GLU 55 13.411 10.403 8.074 181 H ALA 56 H ALA 56 11.498 9.102 3.524 182 HA ALA 56 HA ALA 56 10.699 6.529 2.846 183 1HB ALA 56 1HB ALA 56 11.885 7.044 0.621 184 2HB ALA 56 2HB ALA 56 10.723 8.240 1.188 185 3HB ALA 56 3HB ALA 56 12.466 8.533 1.398 186 H GLY 57 H GLY 57 12.031 4.888 1.602 187 1HA GLY 57 1HA GLY 57 13.796 3.409 1.454 188 2HA GLY 57 2HA GLY 57 14.802 4.476 2.441 189 H GLN 58 H GLN 58 11.760 3.850 3.922 190 HA GLN 58 HA GLN 58 12.887 1.674 5.623 191 1HB GLN 58 2HB GLN 58 10.713 3.746 6.156 192 2HB GLN 58 3HB GLN 58 11.030 2.336 7.173 193 1HG GLN 58 2HG GLN 58 13.481 3.165 7.297 194 2HG GLN 58 3HG GLN 58 12.854 4.713 6.706 195 1HE2 GLN 58 1HE2 GLN 58 10.720 5.394 8.000 196 2HE2 GLN 58 2HE2 GLN 58 10.747 5.036 9.744 197 H ARG 59 H ARG 59 11.457 -0.037 6.144 198 HA ARG 59 HA ARG 59 9.483 -0.674 4.008 199 1HB ARG 59 2HB ARG 59 10.900 -2.558 5.928 200 2HB ARG 59 3HB ARG 59 9.788 -2.981 4.617 201 1HG ARG 59 2HG ARG 59 11.496 -1.658 3.091 202 2HG ARG 59 3HG ARG 59 12.612 -1.893 4.450 203 1HD ARG 59 2HD ARG 59 12.066 -4.392 4.290 204 2HD ARG 59 3HD ARG 59 11.144 -3.993 2.817 205 HE ARG 59 HE ARG 59 13.889 -3.002 2.812 206 1HH1 ARG 59 2HH2 ARG 59 11.878 -5.799 2.050 207 2HH1 ARG 59 1HH2 ARG 59 13.030 -6.547 0.990 208 1HH2 ARG 59 1HH1 ARG 59 15.472 -3.995 1.453 209 2HH2 ARG 59 2HH1 ARG 59 15.127 -5.492 0.655 210 H ILE 60 H ILE 60 7.382 -1.079 4.546 211 HA ILE 60 HA ILE 60 6.599 -1.406 7.350 212 HB ILE 60 HB ILE 60 4.906 0.268 7.325 213 1HG1 ILE 60 2HG1 ILE 60 5.820 1.133 4.543 214 2HG1 ILE 60 3HG1 ILE 60 4.336 0.244 4.912 215 1HG2 ILE 60 1HG2 ILE 60 7.150 0.981 8.086 216 2HG2 ILE 60 2HG2 ILE 60 7.503 1.617 6.463 217 3HG2 ILE 60 3HG2 ILE 60 6.224 2.336 7.441 218 1HD1 ILE 60 1HD1 ILE 60 3.790 2.189 6.535 219 2HD1 ILE 60 2HD1 ILE 60 4.954 3.106 5.589 220 3HD1 ILE 60 3HD1 ILE 60 3.524 2.392 4.813 221 H ARG 61 H ARG 61 3.947 -1.987 7.238 222 HA ARG 61 HA ARG 61 3.468 -3.201 4.588 223 1HB ARG 61 2HB ARG 61 2.752 -4.623 7.112 224 2HB ARG 61 3HB ARG 61 3.034 -5.227 5.514 225 1HG ARG 61 2HG ARG 61 5.479 -4.992 5.792 226 2HG ARG 61 3HG ARG 61 5.214 -4.379 7.400 227 1HD ARG 61 2HD ARG 61 3.775 -6.585 7.711 228 2HD ARG 61 3HD ARG 61 4.710 -7.198 6.384 229 HE ARG 61 HE ARG 61 5.474 -6.728 9.159 230 1HH1 ARG 61 2HH2 ARG 61 6.860 -7.264 5.989 231 2HH1 ARG 61 1HH2 ARG 61 8.520 -7.134 6.522 232 1HH2 ARG 61 1HH1 ARG 61 7.640 -6.549 9.895 233 2HH2 ARG 61 2HH1 ARG 61 8.913 -7.176 8.886 234 H VAL 62 H VAL 62 1.475 -2.603 3.857 235 HA VAL 62 HA VAL 62 -0.235 -1.023 5.715 236 HB VAL 62 HB VAL 62 0.553 0.212 3.804 237 1HG1 VAL 62 1HG1 VAL 62 -0.203 -0.190 1.534 238 2HG1 VAL 62 2HG1 VAL 62 0.781 -1.552 2.062 239 3HG1 VAL 62 3HG1 VAL 62 -0.995 -1.697 1.990 240 1HG2 VAL 62 1HG2 VAL 62 -1.667 0.645 4.817 241 2HG2 VAL 62 2HG2 VAL 62 -1.589 1.063 3.092 242 3HG2 VAL 62 3HG2 VAL 62 -2.423 -0.415 3.608 243 H GLY 63 H GLY 63 -1.946 -2.070 6.509 244 1HA GLY 63 1HA GLY 63 -3.169 -4.318 4.970 245 2HA GLY 63 2HA GLY 63 -2.824 -4.426 6.696 246 H GLY 64 H GLY 64 -5.140 -3.706 4.367 247 1HA GLY 64 1HA GLY 64 -7.031 -2.482 6.147 248 2HA GLY 64 2HA GLY 64 -6.258 -1.252 5.119 249 H MET 65 H MET 65 -8.387 -0.947 4.126 250 HA MET 65 HA MET 65 -9.431 -3.238 2.550 251 1HB MET 65 2HB MET 65 -11.576 -2.138 2.624 252 2HB MET 65 3HB MET 65 -10.976 -2.585 4.214 253 1HG MET 65 2HG MET 65 -10.158 0.150 3.689 254 2HG MET 65 3HG MET 65 -11.847 -0.048 3.264 255 1HE MET 65 1HE MET 65 -9.220 -0.236 6.184 256 2HE MET 65 2HE MET 65 -10.258 -0.729 7.538 257 3HE MET 65 3HE MET 65 -9.911 -1.881 6.232 258 H VAL 66 H VAL 66 -9.494 -3.135 0.362 259 HA VAL 66 HA VAL 66 -8.615 -0.547 -0.877 260 HB VAL 66 HB VAL 66 -8.472 -3.406 -1.849 261 1HG1 VAL 66 1HG1 VAL 66 -8.194 -0.738 -3.247 262 2HG1 VAL 66 2HG1 VAL 66 -7.099 -2.031 -3.728 263 3HG1 VAL 66 3HG1 VAL 66 -8.849 -2.266 -3.851 264 1HG2 VAL 66 1HG2 VAL 66 -6.698 -2.757 -0.221 265 2HG2 VAL 66 2HG2 VAL 66 -6.051 -3.044 -1.839 266 3HG2 VAL 66 3HG2 VAL 66 -6.276 -1.382 -1.278 267 H THR 67 H THR 67 -10.205 0.548 -1.960 268 HA THR 67 HA THR 67 -12.852 -0.292 -2.447 269 HB THR 67 HB THR 67 -11.008 1.886 -3.483 270 HG1 THR 67 1HG THR 67 -12.315 3.138 -2.200 271 1HG2 THR 67 1HG2 THR 67 -13.928 1.467 -4.258 272 2HG2 THR 67 2HG2 THR 67 -13.020 2.981 -4.477 273 3HG2 THR 67 3HG2 THR 67 -12.513 1.538 -5.348 274 H VAL 68 H VAL 68 -13.691 -1.336 -4.126 275 HA VAL 68 HA VAL 68 -12.260 -3.020 -5.800 276 HB VAL 68 HB VAL 68 -14.615 -3.284 -5.280 277 1HG1 VAL 68 1HG1 VAL 68 -16.407 -2.138 -6.305 278 2HG1 VAL 68 2HG1 VAL 68 -15.358 -0.883 -5.641 279 3HG1 VAL 68 3HG1 VAL 68 -15.356 -1.232 -7.387 280 1HG2 VAL 68 1HG2 VAL 68 -13.673 -4.551 -7.136 281 2HG2 VAL 68 2HG2 VAL 68 -15.365 -4.125 -7.473 282 3HG2 VAL 68 3HG2 VAL 68 -14.048 -3.234 -8.273 283 H GLY 69 H GLY 69 -13.768 0.068 -6.858 284 1HA GLY 69 1HA GLY 69 -12.355 0.100 -9.400 285 2HA GLY 69 2HA GLY 69 -13.388 1.366 -8.717 286 H SER 70 H SER 70 -10.271 -0.216 -8.061 287 HA SER 70 HA SER 70 -8.900 2.414 -7.961 288 1HB SER 70 2HB SER 70 -8.917 0.554 -5.549 289 2HB SER 70 3HB SER 70 -7.940 2.001 -5.742 290 HG SER 70 HG SER 70 -10.345 2.781 -6.333 291 H MET 71 H MET 71 -8.561 -1.190 -7.974 292 HA MET 71 HA MET 71 -5.723 -0.994 -8.417 293 1HB MET 71 2HB MET 71 -7.104 -3.044 -7.593 294 2HB MET 71 3HB MET 71 -7.456 -3.306 -9.303 295 1HG MET 71 2HG MET 71 -4.694 -2.943 -9.346 296 2HG MET 71 3HG MET 71 -4.942 -3.640 -7.746 297 1HE MET 71 1HE MET 71 -4.865 -4.167 -11.542 298 2HE MET 71 2HE MET 71 -5.673 -5.738 -11.757 299 3HE MET 71 3HE MET 71 -6.625 -4.310 -11.290 300 H VAL 72 H VAL 72 -4.784 -0.198 -10.215 301 HA VAL 72 HA VAL 72 -6.140 -0.562 -12.848 302 HB VAL 72 HB VAL 72 -5.192 1.583 -13.573 303 1HG1 VAL 72 1HG1 VAL 72 -7.549 1.408 -12.813 304 2HG1 VAL 72 2HG1 VAL 72 -7.048 1.863 -11.170 305 3HG1 VAL 72 3HG1 VAL 72 -6.861 3.012 -12.506 306 1HG2 VAL 72 1HG2 VAL 72 -3.376 1.911 -11.967 307 2HG2 VAL 72 2HG2 VAL 72 -4.498 3.278 -11.923 308 3HG2 VAL 72 3HG2 VAL 72 -4.549 2.065 -10.631 309 H ARG 73 H ARG 73 -4.836 -1.346 -14.435 310 HA ARG 73 HA ARG 73 -2.021 -1.941 -13.704 311 1HB ARG 73 2HB ARG 73 -2.249 -3.997 -15.055 312 2HB ARG 73 3HB ARG 73 -3.222 -4.034 -13.571 313 1HG ARG 73 2HG ARG 73 -5.253 -3.862 -14.751 314 2HG ARG 73 3HG ARG 73 -4.471 -3.300 -16.245 315 1HD ARG 73 2HD ARG 73 -3.330 -5.419 -16.538 316 2HD ARG 73 3HD ARG 73 -4.000 -6.038 -15.003 317 HE ARG 73 HE ARG 73 -6.183 -5.269 -16.591 318 1HH1 ARG 73 2HH2 ARG 73 -3.555 -7.606 -16.714 319 2HH1 ARG 73 1HH2 ARG 73 -4.409 -8.794 -17.647 320 1HH2 ARG 73 1HH1 ARG 73 -7.390 -6.840 -17.814 321 2HH2 ARG 73 2HH1 ARG 73 -6.656 -8.340 -18.279 322 H ASP 74 H ASP 74 -0.457 -1.686 -15.355 323 HA ASP 74 HA ASP 74 -1.414 -0.089 -17.648 324 1HB ASP 74 2HB ASP 74 1.355 -0.849 -16.694 325 2HB ASP 74 3HB ASP 74 0.991 0.208 -18.069 326 HA PRO 75 HA PRO 75 -1.032 -3.747 -20.232 327 1HB PRO 75 2HB PRO 75 -1.157 -2.676 -22.743 328 2HB PRO 75 3HB PRO 75 -2.527 -2.511 -21.612 329 1HG PRO 75 2HG PRO 75 -0.300 -0.501 -22.087 330 2HG PRO 75 3HG PRO 75 -2.061 -0.205 -22.186 331 1HD PRO 75 2HD PRO 75 -0.632 0.319 -19.916 332 2HD PRO 75 3HD PRO 75 -2.297 -0.329 -19.827 333 H ASN 76 H ASN 76 1.414 -2.538 -19.109 334 HA ASN 76 HA ASN 76 3.417 -3.484 -21.089 335 1HB ASN 76 2HB ASN 76 3.799 -2.449 -18.249 336 2HB ASN 76 3HB ASN 76 5.045 -2.808 -19.461 337 1HD2 ASN 76 1HD2 ASN 76 3.105 -0.296 -18.148 338 2HD2 ASN 76 2HD2 ASN 76 3.411 0.865 -19.418 339 H SER 77 H SER 77 1.373 -4.386 -18.370 340 HA SER 77 HA SER 77 1.127 -6.254 -17.148 341 1HB SER 77 2HB SER 77 2.861 -7.691 -19.210 342 2HB SER 77 3HB SER 77 1.773 -8.426 -18.037 343 HG SER 77 HG SER 77 0.050 -7.237 -19.069 344 H LEU 78 H LEU 78 3.517 -4.441 -16.852 345 HA LEU 78 HA LEU 78 4.874 -6.079 -14.787 346 1HB LEU 78 2HB LEU 78 7.009 -4.906 -15.313 347 2HB LEU 78 3HB LEU 78 6.448 -6.250 -16.296 348 HG LEU 78 HG LEU 78 5.443 -4.358 -17.875 349 1HD1 LEU 78 1HD1 LEU 78 5.951 -2.583 -16.285 350 2HD1 LEU 78 2HD1 LEU 78 7.693 -2.902 -16.466 351 3HD1 LEU 78 3HD1 LEU 78 6.742 -2.320 -17.858 352 1HD2 LEU 78 1HD2 LEU 78 7.457 -4.442 -19.181 353 2HD2 LEU 78 2HD2 LEU 78 8.349 -5.118 -17.783 354 3HD2 LEU 78 3HD2 LEU 78 7.001 -6.022 -18.520 355 H HIS 79 H HID 79 2.836 -3.470 -15.254 356 HA HIS 79 HA HID 79 3.759 -2.237 -12.719 357 1HB HIS 79 2HB HID 79 3.003 -0.870 -15.318 358 2HB HIS 79 3HB HID 79 2.893 -0.074 -13.752 359 HD1 HIS 79 1HD HID 79 5.539 -0.497 -12.376 360 HD2 HIS 79 2HD HID 79 5.094 -0.018 -16.535 361 HE1 HIS 79 1HE HID 79 7.756 0.410 -13.243 362 H VAL 80 H VAL 80 2.163 -2.375 -11.276 363 HA VAL 80 HA VAL 80 -0.573 -1.815 -12.175 364 HB VAL 80 HB VAL 80 -1.457 -3.677 -10.797 365 1HG1 VAL 80 1HG1 VAL 80 -0.950 -3.935 -13.287 366 2HG1 VAL 80 2HG1 VAL 80 0.447 -4.896 -12.802 367 3HG1 VAL 80 3HG1 VAL 80 -1.189 -5.427 -12.353 368 1HG2 VAL 80 1HG2 VAL 80 1.469 -4.441 -10.440 369 2HG2 VAL 80 2HG2 VAL 80 0.163 -4.300 -9.225 370 3HG2 VAL 80 3HG2 VAL 80 0.181 -5.620 -10.419 371 H GLN 81 H GLN 81 -1.718 -0.620 -10.625 372 HA GLN 81 HA GLN 81 -0.459 -0.376 -7.945 373 1HB GLN 81 2HB GLN 81 -0.583 2.086 -8.041 374 2HB GLN 81 3HB GLN 81 0.580 1.428 -9.211 375 1HG GLN 81 2HG GLN 81 -1.001 1.700 -11.042 376 2HG GLN 81 3HG GLN 81 -2.273 2.176 -9.895 377 1HE2 GLN 81 1HE2 GLN 81 -2.570 4.129 -11.126 378 2HE2 GLN 81 2HE2 GLN 81 -1.420 5.437 -10.935 379 H PHE 82 H PHE 82 -1.889 0.573 -6.353 380 HA PHE 82 HA PHE 82 -4.740 0.705 -7.066 381 1HB PHE 82 2HB PHE 82 -5.315 -0.967 -5.323 382 2HB PHE 82 3HB PHE 82 -4.521 -1.639 -6.734 383 HD1 PHE 82 1HD PHE 82 -2.146 -2.400 -6.690 384 HD2 PHE 82 2HD PHE 82 -4.304 -1.278 -3.123 385 HE1 PHE 82 1HE PHE 82 -0.581 -3.734 -5.322 386 HE2 PHE 82 2HE PHE 82 -2.790 -2.701 -1.772 387 HZ PHE 82 HZ PHE 82 -0.937 -3.945 -2.869 388 H ALA 83 H ALA 83 -5.849 2.061 -5.814 389 HA ALA 83 HA ALA 83 -4.451 3.420 -3.607 390 1HB ALA 83 1HB ALA 83 -7.232 3.906 -4.729 391 2HB ALA 83 2HB ALA 83 -6.375 4.890 -3.531 392 3HB ALA 83 3HB ALA 83 -5.755 4.782 -5.190 393 H VAL 84 H VAL 84 -4.985 3.119 -1.478 394 HA VAL 84 HA VAL 84 -7.072 1.093 -0.769 395 HB VAL 84 HB VAL 84 -4.705 0.269 -0.497 396 1HG1 VAL 84 1HG1 VAL 84 -3.668 2.412 0.085 397 2HG1 VAL 84 2HG1 VAL 84 -4.543 2.429 1.631 398 3HG1 VAL 84 3HG1 VAL 84 -3.333 1.169 1.301 399 1HG2 VAL 84 1HG2 VAL 84 -4.934 -0.560 1.813 400 2HG2 VAL 84 2HG2 VAL 84 -6.265 0.572 2.106 401 3HG2 VAL 84 3HG2 VAL 84 -6.439 -0.718 0.910 402 H HIS 85 H HID 85 -8.103 1.553 1.373 403 HA HIS 85 HA HID 85 -7.888 4.389 2.222 404 1HB HIS 85 2HB HID 85 -10.271 4.694 2.224 405 2HB HIS 85 3HB HID 85 -9.705 4.344 0.599 406 HD1 HIS 85 1HD HID 85 -12.533 3.522 2.627 407 HD2 HIS 85 2HD HID 85 -9.965 1.456 0.028 408 HE1 HIS 85 1HE HID 85 -13.804 1.453 1.826 409 H ASP 86 H ASP 86 -9.433 4.602 4.291 410 HA ASP 86 HA ASP 86 -9.264 2.210 5.969 411 1HB ASP 86 2HB ASP 86 -7.108 3.475 6.345 412 2HB ASP 86 3HB ASP 86 -8.064 4.909 6.752 413 H SER 87 H SER 87 -10.379 2.614 7.999 414 HA SER 87 HA SER 87 -12.916 3.760 8.112 415 1HB SER 87 2HB SER 87 -11.797 2.303 9.827 416 2HB SER 87 3HB SER 87 -10.802 3.687 10.320 417 HG SER 87 HG SER 87 -12.703 3.429 11.606 418 H LEU 88 H LEU 88 -9.733 5.322 8.903 419 HA LEU 88 HA LEU 88 -11.110 7.938 9.082 420 1HB LEU 88 2HB LEU 88 -8.603 6.725 10.101 421 2HB LEU 88 3HB LEU 88 -8.394 8.386 9.578 422 HG LEU 88 HG LEU 88 -8.858 8.176 11.931 423 1HD1 LEU 88 1HD1 LEU 88 -10.469 9.987 12.117 424 2HD1 LEU 88 2HD1 LEU 88 -9.408 10.255 10.725 425 3HD1 LEU 88 3HD1 LEU 88 -11.070 9.687 10.478 426 1HD2 LEU 88 1HD2 LEU 88 -11.674 7.265 11.205 427 2HD2 LEU 88 2HD2 LEU 88 -10.394 6.236 11.888 428 3HD2 LEU 88 3HD2 LEU 88 -11.038 7.599 12.823 429 H GLY 89 H GLY 89 -10.946 6.640 6.468 430 1HA GLY 89 1HA GLY 89 -10.668 7.384 4.304 431 2HA GLY 89 2HA GLY 89 -10.557 9.022 4.978 432 H GLY 90 H GLY 90 -8.486 6.194 5.464 433 1HA GLY 90 1HA GLY 90 -6.020 7.703 5.197 434 2HA GLY 90 2HA GLY 90 -6.197 5.959 5.470 435 H GLU 91 H GLU 91 -6.926 8.338 2.901 436 HA GLU 91 HA GLU 91 -6.872 6.345 0.881 437 1HB GLU 91 2HB GLU 91 -8.121 8.625 1.065 438 2HB GLU 91 3HB GLU 91 -6.700 9.314 0.288 439 1HG GLU 91 2HG GLU 91 -7.323 8.456 -1.745 440 2HG GLU 91 3HG GLU 91 -7.698 6.862 -1.082 441 H ILE 92 H ILE 92 -4.950 5.314 0.479 442 HA ILE 92 HA ILE 92 -2.515 6.959 -0.087 443 HB ILE 92 HB ILE 92 -2.932 4.821 1.928 444 1HG1 ILE 92 2HG1 ILE 92 -2.258 7.235 2.349 445 2HG1 ILE 92 3HG1 ILE 92 -1.295 6.005 3.166 446 1HG2 ILE 92 1HG2 ILE 92 -0.655 3.914 1.832 447 2HG2 ILE 92 2HG2 ILE 92 -1.627 3.425 0.446 448 3HG2 ILE 92 3HG2 ILE 92 -0.395 4.681 0.255 449 1HD1 ILE 92 1HD1 ILE 92 0.537 6.278 1.617 450 2HD1 ILE 92 2HD1 ILE 92 -0.421 7.348 0.572 451 3HD1 ILE 92 3HD1 ILE 92 0.048 7.871 2.198 452 H LEU 93 H LEU 93 -1.048 6.031 -1.584 453 HA LEU 93 HA LEU 93 -2.403 4.213 -3.514 454 1HB LEU 93 2HB LEU 93 -0.860 6.722 -3.779 455 2HB LEU 93 3HB LEU 93 -0.284 5.446 -4.856 456 HG LEU 93 HG LEU 93 -3.226 6.153 -4.723 457 1HD1 LEU 93 1HD1 LEU 93 -1.071 7.310 -6.553 458 2HD1 LEU 93 2HD1 LEU 93 -2.822 7.562 -6.722 459 3HD1 LEU 93 3HD1 LEU 93 -1.971 8.203 -5.306 460 1HD2 LEU 93 1HD2 LEU 93 -3.181 5.120 -6.987 461 2HD2 LEU 93 2HD2 LEU 93 -1.429 4.863 -6.844 462 3HD2 LEU 93 3HD2 LEU 93 -2.551 3.973 -5.793 463 H VAL 94 H VAL 94 -1.610 2.254 -3.698 464 HA VAL 94 HA VAL 94 1.133 1.644 -2.762 465 HB VAL 94 HB VAL 94 -1.237 -0.200 -3.214 466 1HG1 VAL 94 1HG1 VAL 94 0.925 -1.337 -3.397 467 2HG1 VAL 94 2HG1 VAL 94 1.482 -0.576 -1.888 468 3HG1 VAL 94 3HG1 VAL 94 0.169 -1.769 -1.853 469 1HG2 VAL 94 1HG2 VAL 94 -0.167 1.013 -0.630 470 2HG2 VAL 94 2HG2 VAL 94 -1.772 1.292 -1.341 471 3HG2 VAL 94 3HG2 VAL 94 -1.354 -0.307 -0.724 472 H THR 95 H THR 95 2.595 1.336 -4.409 473 HA THR 95 HA THR 95 1.619 0.766 -7.172 474 HB THR 95 HB THR 95 3.910 1.685 -7.763 475 HG1 THR 95 1HG THR 95 4.818 1.439 -5.666 476 1HG2 THR 95 1HG2 THR 95 3.298 4.041 -7.413 477 2HG2 THR 95 2HG2 THR 95 1.874 3.109 -7.909 478 3HG2 THR 95 3HG2 THR 95 2.082 3.577 -6.206 479 H TYR 96 H TYR 96 2.455 -1.027 -8.270 480 HA TYR 96 HA TYR 96 4.491 -2.715 -6.915 481 1HB TYR 96 2HB TYR 96 1.995 -3.263 -6.451 482 2HB TYR 96 3HB TYR 96 1.925 -3.764 -8.115 483 HD1 TYR 96 HD1 TYR 96 4.906 -5.089 -7.999 484 HD2 TYR 96 HD2 TYR 96 1.410 -5.314 -5.487 485 HE1 TYR 96 HE1 TYR 96 5.302 -7.500 -7.645 486 HE2 TYR 96 HE2 TYR 96 1.862 -7.720 -5.118 487 HH TYR 96 HH TYR 96 3.717 -9.226 -5.232 488 H ASP 97 H ASP 97 6.121 -2.408 -8.457 489 HA ASP 97 HA ASP 97 5.475 -2.508 -11.317 490 1HB ASP 97 2HB ASP 97 7.810 -1.715 -11.514 491 2HB ASP 97 3HB ASP 97 6.764 -0.640 -10.574 492 H ASP 98 H ASP 98 4.961 -4.927 -10.163 493 HA ASP 98 HA ASP 98 6.644 -6.687 -11.663 494 1HB ASP 98 2HB ASP 98 7.279 -6.305 -8.766 495 2HB ASP 98 3HB ASP 98 7.013 -7.994 -9.176 496 H LEU 99 H LEU 99 4.079 -6.232 -12.002 497 HA LEU 99 HA LEU 99 1.982 -7.055 -12.072 498 1HB LEU 99 2HB LEU 99 3.416 -9.711 -11.718 499 2HB LEU 99 3HB LEU 99 1.800 -9.437 -12.406 500 HG LEU 99 HG LEU 99 3.019 -7.910 -14.095 501 1HD1 LEU 99 1HD1 LEU 99 5.344 -8.130 -13.281 502 2HD1 LEU 99 2HD1 LEU 99 5.206 -9.898 -13.291 503 3HD1 LEU 99 3HD1 LEU 99 5.203 -8.986 -14.810 504 1HD2 LEU 99 1HD2 LEU 99 1.667 -9.857 -14.672 505 2HD2 LEU 99 2HD2 LEU 99 3.174 -9.945 -15.593 506 3HD2 LEU 99 3HD2 LEU 99 2.964 -10.960 -14.155 507 H LEU 100 H LEU 100 1.160 -9.661 -10.585 508 HA LEU 100 HA LEU 100 1.070 -8.945 -7.807 509 1HB LEU 100 2HB LEU 100 -1.276 -8.635 -9.732 510 2HB LEU 100 3HB LEU 100 -1.597 -9.106 -8.071 511 HG LEU 100 HG LEU 100 0.036 -6.630 -8.600 512 1HD1 LEU 100 1HD1 LEU 100 -2.990 -6.804 -8.572 513 2HD1 LEU 100 2HD1 LEU 100 -2.056 -5.300 -8.499 514 3HD1 LEU 100 3HD1 LEU 100 -2.001 -6.325 -9.950 515 1HD2 LEU 100 1HD2 LEU 100 -0.736 -5.910 -6.480 516 2HD2 LEU 100 2HD2 LEU 100 -1.795 -7.317 -6.346 517 3HD2 LEU 100 3HD2 LEU 100 -0.050 -7.542 -6.348 518 HA PRO 101 HA PRO 101 0.689 -13.384 -7.988 519 1HB PRO 101 2HB PRO 101 -0.339 -14.075 -5.557 520 2HB PRO 101 3HB PRO 101 1.228 -13.261 -5.743 521 1HG PRO 101 2HG PRO 101 -1.423 -11.910 -5.129 522 2HG PRO 101 3HG PRO 101 0.109 -11.750 -4.238 523 1HD PRO 101 2HD PRO 101 -0.622 -9.969 -6.161 524 2HD PRO 101 3HD PRO 101 1.087 -10.468 -5.980 525 H ASP 102 H ASP 102 -2.233 -13.570 -6.067 526 HA ASP 102 HA ASP 102 -3.772 -14.738 -8.160 527 1HB ASP 102 2HB ASP 102 -4.601 -13.709 -5.412 528 2HB ASP 102 3HB ASP 102 -5.496 -14.857 -6.421 529 H LEU 103 H LEU 103 -3.189 -12.559 -9.386 530 HA LEU 103 HA LEU 103 -3.427 -10.516 -10.095 531 1HB LEU 103 2HB LEU 103 -5.402 -9.941 -11.173 532 2HB LEU 103 3HB LEU 103 -5.237 -11.683 -11.295 533 HG LEU 103 HG LEU 103 -6.864 -10.858 -8.942 534 1HD1 LEU 103 1HD1 LEU 103 -7.833 -10.075 -11.705 535 2HD1 LEU 103 2HD1 LEU 103 -8.796 -10.071 -10.208 536 3HD1 LEU 103 3HD1 LEU 103 -7.418 -8.971 -10.371 537 1HD2 LEU 103 1HD2 LEU 103 -6.773 -13.180 -9.871 538 2HD2 LEU 103 2HD2 LEU 103 -8.418 -12.517 -9.861 539 3HD2 LEU 103 3HD2 LEU 103 -7.500 -12.584 -11.379 540 H PHE 104 H PHE 104 -4.133 -10.869 -6.975 541 HA PHE 104 HA PHE 104 -4.954 -9.797 -5.270 542 1HB PHE 104 2HB PHE 104 -3.417 -8.135 -5.330 543 2HB PHE 104 3HB PHE 104 -4.100 -7.387 -6.801 544 HD1 PHE 104 1HD PHE 104 -6.135 -8.271 -3.779 545 HD2 PHE 104 2HD PHE 104 -3.980 -5.146 -5.823 546 HE1 PHE 104 1HE PHE 104 -7.681 -6.577 -2.848 547 HE2 PHE 104 2HE PHE 104 -5.618 -3.491 -5.003 548 HZ PHE 104 HZ PHE 104 -7.590 -4.272 -3.679 549 H ARG 105 H ARG 105 -6.922 -10.549 -5.179 550 HA ARG 105 HA ARG 105 -9.069 -9.827 -6.943 551 1HB ARG 105 2HB ARG 105 -8.918 -11.095 -4.173 552 2HB ARG 105 3HB ARG 105 -10.446 -10.885 -5.011 553 1HG ARG 105 2HG ARG 105 -8.080 -12.373 -6.264 554 2HG ARG 105 3HG ARG 105 -9.218 -13.177 -5.181 555 1HD ARG 105 2HD ARG 105 -9.958 -11.750 -7.760 556 2HD ARG 105 3HD ARG 105 -9.817 -13.506 -7.552 557 HE ARG 105 HE ARG 105 -11.564 -12.876 -5.578 558 1HH1 ARG 105 2HH2 ARG 105 -11.568 -12.186 -9.032 559 2HH1 ARG 105 1HH2 ARG 105 -13.289 -12.003 -9.166 560 1HH2 ARG 105 1HH1 ARG 105 -13.852 -12.654 -5.703 561 2HH2 ARG 105 2HH1 ARG 105 -14.623 -12.318 -7.218 562 H GLU 106 H GLU 106 -10.185 -7.961 -6.957 563 HA GLU 106 HA GLU 106 -9.510 -5.874 -5.136 564 1HB GLU 106 2HB GLU 106 -11.615 -6.000 -7.329 565 2HB GLU 106 3HB GLU 106 -10.891 -4.531 -6.692 566 1HG GLU 106 2HG GLU 106 -8.871 -4.830 -7.780 567 2HG GLU 106 3HG GLU 106 -9.045 -6.567 -7.978 568 H GLY 107 H GLY 107 -11.233 -4.393 -4.202 569 1HA GLY 107 1HA GLY 107 -13.086 -3.943 -2.935 570 2HA GLY 107 2HA GLY 107 -13.925 -5.205 -3.852 571 H GLN 108 H GLN 108 -11.093 -5.422 -1.617 572 HA GLN 108 HA GLN 108 -12.637 -6.526 0.548 573 1HB GLN 108 2HB GLN 108 -11.237 -8.638 0.619 574 2HB GLN 108 3HB GLN 108 -12.480 -8.621 -0.633 575 1HG GLN 108 2HG GLN 108 -10.984 -8.423 -2.375 576 2HG GLN 108 3HG GLN 108 -9.754 -7.605 -1.398 577 1HE2 GLN 108 1HE2 GLN 108 -8.367 -9.126 -2.583 578 2HE2 GLN 108 2HE2 GLN 108 -8.026 -10.649 -1.749 579 H GLY 109 H GLY 109 -10.825 -7.300 2.231 580 1HA GLY 109 1HA GLY 109 -8.824 -5.146 2.339 581 2HA GLY 109 2HA GLY 109 -9.253 -6.222 3.671 582 H ILE 110 H ILE 110 -6.681 -5.436 2.256 583 HA ILE 110 HA ILE 110 -5.581 -8.158 2.125 584 HB ILE 110 HB ILE 110 -4.260 -7.874 0.221 585 1HG1 ILE 110 2HG1 ILE 110 -5.783 -5.523 -0.869 586 2HG1 ILE 110 3HG1 ILE 110 -4.481 -5.189 0.278 587 1HG2 ILE 110 1HG2 ILE 110 -7.153 -7.422 -0.590 588 2HG2 ILE 110 2HG2 ILE 110 -5.896 -8.316 -1.469 589 3HG2 ILE 110 3HG2 ILE 110 -6.519 -8.944 0.053 590 1HD1 ILE 110 1HD1 ILE 110 -4.091 -6.985 -2.140 591 2HD1 ILE 110 2HD1 ILE 110 -3.695 -5.252 -2.096 592 3HD1 ILE 110 3HD1 ILE 110 -2.867 -6.397 -1.009 593 H VAL 111 H VAL 111 -3.223 -8.111 2.263 594 HA VAL 111 HA VAL 111 -2.204 -5.759 3.806 595 HB VAL 111 HB VAL 111 -1.077 -7.463 5.228 596 1HG1 VAL 111 1HG1 VAL 111 -3.696 -8.257 5.957 597 2HG1 VAL 111 2HG1 VAL 111 -2.685 -6.984 6.652 598 3HG1 VAL 111 3HG1 VAL 111 -3.814 -6.607 5.344 599 1HG2 VAL 111 1HG2 VAL 111 -1.710 -9.694 5.332 600 2HG2 VAL 111 2HG2 VAL 111 -2.983 -9.471 4.108 601 3HG2 VAL 111 3HG2 VAL 111 -1.267 -9.373 3.656 602 H ALA 112 H ALA 112 -0.729 -4.783 2.676 603 HA ALA 112 HA ALA 112 0.914 -6.255 0.645 604 1HB ALA 112 1HB ALA 112 -0.166 -3.412 0.636 605 2HB ALA 112 2HB ALA 112 0.809 -4.155 -0.636 606 3HB ALA 112 3HB ALA 112 -0.829 -4.759 -0.300 607 H GLN 113 H GLN 113 3.149 -6.177 1.005 608 HA GLN 113 HA GLN 113 4.164 -3.781 2.505 609 1HB GLN 113 2HB GLN 113 5.791 -5.066 3.633 610 2HB GLN 113 3HB GLN 113 4.213 -5.811 3.969 611 1HG GLN 113 2HG GLN 113 4.612 -7.644 2.571 612 2HG GLN 113 3HG GLN 113 6.052 -6.840 1.875 613 1HE2 GLN 113 1HE2 GLN 113 8.020 -6.768 2.896 614 2HE2 GLN 113 2HE2 GLN 113 8.346 -7.872 4.217 615 H GLY 114 H GLY 114 6.273 -3.128 2.171 616 1HA GLY 114 1HA GLY 114 8.152 -4.373 0.591 617 2HA GLY 114 2HA GLY 114 7.356 -3.260 -0.516 618 H VAL 115 H VAL 115 7.835 -1.015 -0.319 619 HA VAL 115 HA VAL 115 9.301 -0.038 2.010 620 HB VAL 115 HB VAL 115 11.022 -1.160 0.623 621 1HG1 VAL 115 1HG1 VAL 115 11.621 -0.347 -1.600 622 2HG1 VAL 115 2HG1 VAL 115 9.930 -0.867 -1.615 623 3HG1 VAL 115 3HG1 VAL 115 10.330 0.864 -1.552 624 1HG2 VAL 115 1HG2 VAL 115 11.762 0.735 1.926 625 2HG2 VAL 115 2HG2 VAL 115 12.643 0.624 0.404 626 3HG2 VAL 115 3HG2 VAL 115 11.383 1.850 0.589 627 H LEU 116 H LEU 116 9.500 2.249 2.068 628 HA LEU 116 HA LEU 116 7.333 3.632 0.772 629 1HB LEU 116 2HB LEU 116 9.733 4.441 2.440 630 2HB LEU 116 3HB LEU 116 8.874 5.693 1.543 631 HG LEU 116 HG LEU 116 8.106 5.580 3.828 632 1HD1 LEU 116 1HD1 LEU 116 5.741 5.640 3.390 633 2HD1 LEU 116 2HD1 LEU 116 6.586 6.267 1.952 634 3HD1 LEU 116 3HD1 LEU 116 5.898 4.646 1.950 635 1HD2 LEU 116 1HD2 LEU 116 6.825 3.729 4.699 636 2HD2 LEU 116 2HD2 LEU 116 7.040 2.786 3.209 637 3HD2 LEU 116 3HD2 LEU 116 8.431 3.162 4.257 638 H GLY 117 H GLY 117 7.211 4.934 -0.943 639 1HA GLY 117 1HA GLY 117 9.545 5.176 -2.786 640 2HA GLY 117 2HA GLY 117 7.867 4.913 -3.284 641 H GLU 118 H GLU 118 10.165 7.236 -2.841 642 HA GLU 118 HA GLU 118 10.163 9.493 -3.049 643 1HB GLU 118 2HB GLU 118 8.634 8.506 -5.003 644 2HB GLU 118 3HB GLU 118 7.340 9.316 -4.128 645 1HG GLU 118 2HG GLU 118 8.783 11.429 -4.203 646 2HG GLU 118 3HG GLU 118 9.866 10.557 -5.293 647 H ASP 119 H ASP 119 9.611 8.796 -0.513 648 HA ASP 119 HA ASP 119 8.383 9.101 1.432 649 1HB ASP 119 2HB ASP 119 8.989 11.911 0.444 650 2HB ASP 119 3HB ASP 119 8.530 11.504 2.103 651 H GLY 120 H GLY 120 6.450 8.327 -0.332 652 1HA GLY 120 1HA GLY 120 4.096 9.702 0.712 653 2HA GLY 120 2HA GLY 120 4.468 10.148 -0.958 654 H LYS 121 H LYS 121 5.257 7.817 -2.160 655 HA LYS 121 HA LYS 121 2.665 6.344 -2.179 656 1HB LYS 121 2HB LYS 121 4.607 7.179 -4.240 657 2HB LYS 121 3HB LYS 121 4.323 5.449 -4.291 658 1HG LYS 121 2HG LYS 121 2.653 6.426 -5.717 659 2HG LYS 121 3HG LYS 121 1.856 5.871 -4.252 660 1HD LYS 121 2HD LYS 121 0.913 8.013 -4.595 661 2HD LYS 121 3HD LYS 121 2.143 8.306 -3.367 662 1HE LYS 121 2HE LYS 121 3.577 8.641 -5.742 663 2HE LYS 121 3HE LYS 121 1.973 9.168 -6.233 664 1HZ LYS 121 1HZ LYS 121 3.290 10.982 -5.420 665 2HZ LYS 121 2HZ LYS 121 2.023 10.751 -4.392 666 3HZ LYS 121 3HZ LYS 121 3.540 10.252 -3.979 667 H LEU 122 H LEU 122 2.666 4.011 -2.152 668 HA LEU 122 HA LEU 122 4.984 2.964 -0.551 669 1HB LEU 122 2HB LEU 122 2.020 2.367 -0.588 670 2HB LEU 122 3HB LEU 122 3.176 1.192 0.037 671 HG LEU 122 HG LEU 122 2.112 2.635 1.772 672 1HD1 LEU 122 1HD1 LEU 122 4.043 1.486 2.430 673 2HD1 LEU 122 2HD1 LEU 122 5.136 2.533 1.520 674 3HD1 LEU 122 3HD1 LEU 122 4.308 3.171 2.937 675 1HD2 LEU 122 1HD2 LEU 122 2.164 4.796 0.465 676 2HD2 LEU 122 2HD2 LEU 122 2.722 4.895 2.143 677 3HD2 LEU 122 3HD2 LEU 122 3.901 4.897 0.834 678 H ALA 123 H ALA 123 6.404 1.781 -1.694 679 HA ALA 123 HA ALA 123 5.495 0.433 -4.179 680 1HB ALA 123 1HB ALA 123 8.240 0.695 -2.910 681 2HB ALA 123 2HB ALA 123 7.864 -0.097 -4.454 682 3HB ALA 123 3HB ALA 123 7.605 1.649 -4.267 683 H ALA 124 H ALA 124 4.255 -1.333 -3.590 684 HA ALA 124 HA ALA 124 5.334 -3.102 -1.423 685 1HB ALA 124 1HB ALA 124 2.450 -2.851 -2.265 686 2HB ALA 124 2HB ALA 124 3.119 -3.835 -0.951 687 3HB ALA 124 3HB ALA 124 3.164 -2.064 -0.828 688 H THR 125 H THR 125 5.436 -5.281 -1.831 689 HA THR 125 HA THR 125 4.793 -6.211 -4.576 690 HB THR 125 HB THR 125 7.113 -5.548 -4.594 691 HG1 THR 125 1HG THR 125 6.509 -7.338 -5.814 692 1HG2 THR 125 1HG2 THR 125 8.825 -6.668 -3.307 693 2HG2 THR 125 2HG2 THR 125 7.691 -5.908 -2.176 694 3HG2 THR 125 3HG2 THR 125 7.632 -7.666 -2.469 695 H GLU 126 H GLU 126 5.534 -7.168 -1.165 696 HA GLU 126 HA GLU 126 4.327 -9.839 -1.707 697 1HB GLU 126 2HB GLU 126 5.459 -8.543 0.756 698 2HB GLU 126 3HB GLU 126 4.674 -10.122 0.764 699 1HG GLU 126 2HG GLU 126 7.124 -9.402 -0.921 700 2HG GLU 126 3HG GLU 126 7.181 -10.206 0.656 701 H VAL 127 H VAL 127 2.271 -9.304 -2.350 702 HA VAL 127 HA VAL 127 0.464 -8.067 -0.330 703 HB VAL 127 HB VAL 127 -1.208 -7.907 -1.997 704 1HG1 VAL 127 1HG1 VAL 127 0.369 -6.061 -1.854 705 2HG1 VAL 127 2HG1 VAL 127 1.438 -6.810 -3.043 706 3HG1 VAL 127 3HG1 VAL 127 -0.184 -6.265 -3.522 707 1HG2 VAL 127 1HG2 VAL 127 0.693 -9.297 -3.892 708 2HG2 VAL 127 2HG2 VAL 127 -0.942 -9.806 -3.393 709 3HG2 VAL 127 3HG2 VAL 127 -0.750 -8.379 -4.387 710 H LEU 128 H LEU 128 -0.536 -9.411 1.025 711 HA LEU 128 HA LEU 128 -0.878 -12.278 0.206 712 1HB LEU 128 2HB LEU 128 -0.914 -11.427 3.080 713 2HB LEU 128 3HB LEU 128 -0.603 -12.977 2.349 714 HG LEU 128 HG LEU 128 1.361 -12.318 3.351 715 1HD1 LEU 128 1HD1 LEU 128 1.757 -13.217 1.070 716 2HD1 LEU 128 2HD1 LEU 128 1.938 -11.547 0.478 717 3HD1 LEU 128 3HD1 LEU 128 3.053 -12.166 1.695 718 1HD2 LEU 128 1HD2 LEU 128 2.571 -10.261 3.141 719 2HD2 LEU 128 2HD2 LEU 128 1.391 -9.592 2.019 720 3HD2 LEU 128 3HD2 LEU 128 0.930 -9.929 3.702 721 H ALA 129 H ALA 129 -3.013 -12.586 -0.386 722 HA ALA 129 HA ALA 129 -5.022 -10.627 0.399 723 1HB ALA 129 1HB ALA 129 -6.493 -11.927 -1.079 724 2HB ALA 129 2HB ALA 129 -4.955 -11.535 -1.868 725 3HB ALA 129 3HB ALA 129 -5.243 -13.175 -1.241 726 H LYS 130 H LYS 130 -4.180 -11.686 2.768 727 HA LYS 130 HA LYS 130 -5.845 -14.003 3.516 728 1HB LYS 130 2HB LYS 130 -4.772 -13.807 5.692 729 2HB LYS 130 3HB LYS 130 -3.630 -13.970 4.370 730 1HG LYS 130 2HG LYS 130 -2.701 -11.939 4.651 731 2HG LYS 130 3HG LYS 130 -4.223 -11.136 5.052 732 1HD LYS 130 2HD LYS 130 -2.751 -12.968 6.987 733 2HD LYS 130 3HD LYS 130 -2.516 -11.211 6.909 734 1HE LYS 130 2HE LYS 130 -4.993 -10.884 7.266 735 2HE LYS 130 3HE LYS 130 -5.171 -12.624 7.507 736 1HZ LYS 130 1HZ LYS 130 -3.559 -10.812 9.170 737 2HZ LYS 130 2HZ LYS 130 -5.011 -11.478 9.559 738 3HZ LYS 130 3HZ LYS 130 -3.691 -12.444 9.390 739 H HIS 131 H HID 131 -7.696 -12.488 2.730 740 HA HIS 131 HA HID 131 -8.749 -10.623 4.683 741 1HB HIS 131 2HB HID 131 -10.630 -10.427 3.310 742 2HB HIS 131 3HB HID 131 -9.215 -10.496 2.262 743 HD1 HIS 131 1HD HID 131 -12.450 -11.341 1.761 744 HD2 HIS 131 2HD HID 131 -9.003 -13.747 1.933 745 HE1 HIS 131 1HE HID 131 -12.961 -13.463 0.435 746 H ASP 132 H ASP 132 -8.822 -11.682 6.715 747 HA ASP 132 HA ASP 132 -9.643 -12.837 8.389 748 1HB ASP 132 2HB ASP 132 -12.062 -13.162 6.555 749 2HB ASP 132 3HB ASP 132 -12.019 -13.773 8.193 Start of MODEL 34 1 H SER 32 H SER 32 13.115 -1.556 17.653 2 HA SER 32 HA SER 32 13.466 -3.042 15.075 3 1HB SER 32 2HB SER 32 11.532 -4.446 15.960 4 2HB SER 32 3HB SER 32 13.097 -4.688 16.746 5 HG SER 32 HG SER 32 12.361 -3.230 18.426 6 H ASN 33 H ASN 33 12.996 -0.245 15.407 7 HA ASN 33 HA ASN 33 10.228 0.357 15.532 8 1HB ASN 33 2HB ASN 33 12.773 1.840 15.113 9 2HB ASN 33 3HB ASN 33 11.383 2.584 14.337 10 1HD2 ASN 33 1HD2 ASN 33 10.161 3.938 15.574 11 2HD2 ASN 33 2HD2 ASN 33 10.130 3.899 17.331 12 H LEU 34 H LEU 34 11.969 -0.750 12.759 13 HA LEU 34 HA LEU 34 10.484 0.972 10.923 14 1HB LEU 34 2HB LEU 34 12.009 0.589 9.342 15 2HB LEU 34 3HB LEU 34 12.817 0.820 10.876 16 HG LEU 34 HG LEU 34 12.721 -1.924 10.835 17 1HD1 LEU 34 1HD1 LEU 34 11.641 -1.607 8.512 18 2HD1 LEU 34 2HD1 LEU 34 13.203 -1.001 7.963 19 3HD1 LEU 34 3HD1 LEU 34 13.077 -2.678 8.552 20 1HD2 LEU 34 1HD2 LEU 34 14.808 -0.101 9.581 21 2HD2 LEU 34 2HD2 LEU 34 14.696 -0.577 11.288 22 3HD2 LEU 34 3HD2 LEU 34 15.071 -1.798 10.053 23 H ASN 35 H ASN 35 10.867 -2.624 10.826 24 HA ASN 35 HA ASN 35 8.979 -2.614 8.628 25 1HB ASN 35 2HB ASN 35 10.970 -3.960 8.506 26 2HB ASN 35 3HB ASN 35 10.560 -4.798 10.009 27 1HD2 ASN 35 1HD2 ASN 35 9.195 -4.204 6.665 28 2HD2 ASN 35 2HD2 ASN 35 8.479 -5.813 6.594 29 H LEU 36 H LEU 36 7.115 -1.774 10.002 30 HA LEU 36 HA LEU 36 5.673 -4.060 11.310 31 1HB LEU 36 2HB LEU 36 4.992 -2.730 13.057 32 2HB LEU 36 3HB LEU 36 6.699 -2.375 12.864 33 HG LEU 36 HG LEU 36 5.270 -0.444 11.252 34 1HD1 LEU 36 1HD1 LEU 36 3.265 -1.009 12.579 35 2HD1 LEU 36 2HD1 LEU 36 4.170 -0.763 14.085 36 3HD1 LEU 36 3HD1 LEU 36 3.856 0.602 13.005 37 1HD2 LEU 36 1HD2 LEU 36 7.424 -0.084 12.340 38 2HD2 LEU 36 2HD2 LEU 36 6.254 1.166 12.792 39 3HD2 LEU 36 3HD2 LEU 36 6.653 -0.132 13.940 40 H PHE 37 H PHE 37 3.339 -3.781 11.508 41 HA PHE 37 HA PHE 37 2.157 -3.044 8.914 42 1HB PHE 37 2HB PHE 37 1.076 -4.473 11.363 43 2HB PHE 37 3HB PHE 37 0.126 -4.094 9.945 44 HD1 PHE 37 1HD PHE 37 0.690 -5.100 7.700 45 HD2 PHE 37 2HD PHE 37 2.475 -6.481 11.376 46 HE1 PHE 37 1HE PHE 37 1.331 -7.231 6.604 47 HE2 PHE 37 2HE PHE 37 2.949 -8.670 10.323 48 HZ PHE 37 HZ PHE 37 2.342 -9.067 7.934 49 H TYR 38 H TYR 38 1.313 -1.032 8.616 50 HA TYR 38 HA TYR 38 -0.091 0.266 10.904 51 1HB TYR 38 2HB TYR 38 2.125 1.289 9.216 52 2HB TYR 38 3HB TYR 38 0.720 2.335 9.171 53 HD1 TYR 38 HD1 TYR 38 3.710 2.335 10.632 54 HD2 TYR 38 HD2 TYR 38 -0.452 2.390 11.777 55 HE1 TYR 38 HE1 TYR 38 4.293 3.479 12.746 56 HE2 TYR 38 HE2 TYR 38 0.136 3.448 13.905 57 HH TYR 38 HH TYR 38 1.917 4.025 15.304 58 H THR 39 H THR 39 -1.743 1.880 10.215 59 HA THR 39 HA THR 39 -3.398 0.687 8.184 60 HB THR 39 HB THR 39 -5.021 2.311 8.742 61 HG1 THR 39 1HG THR 39 -3.428 3.633 10.595 62 1HG2 THR 39 1HG2 THR 39 -4.748 0.458 10.349 63 2HG2 THR 39 2HG2 THR 39 -3.652 1.463 11.331 64 3HG2 THR 39 3HG2 THR 39 -5.347 1.937 11.118 65 HA PRO 40 HA PRO 40 -1.993 3.330 4.776 66 1HB PRO 40 2HB PRO 40 -4.798 3.493 3.906 67 2HB PRO 40 3HB PRO 40 -3.367 2.894 3.028 68 1HG PRO 40 2HG PRO 40 -5.371 1.254 4.121 69 2HG PRO 40 3HG PRO 40 -3.711 0.732 3.776 70 1HD PRO 40 2HD PRO 40 -4.971 1.298 6.389 71 2HD PRO 40 3HD PRO 40 -3.516 0.348 5.976 72 H SER 41 H SER 41 -5.058 4.044 6.547 73 HA SER 41 HA SER 41 -5.150 6.774 5.926 74 1HB SER 41 2HB SER 41 -6.246 5.348 8.372 75 2HB SER 41 3HB SER 41 -6.637 7.002 7.865 76 HG SER 41 HG SER 41 -7.067 5.817 5.699 77 H GLU 42 H GLU 42 -3.532 5.254 8.846 78 HA GLU 42 HA GLU 42 -2.621 7.579 10.042 79 1HB GLU 42 2HB GLU 42 -1.666 4.760 9.934 80 2HB GLU 42 3HB GLU 42 -0.341 5.867 10.007 81 1HG GLU 42 2HG GLU 42 -0.564 5.684 12.208 82 2HG GLU 42 3HG GLU 42 -1.704 7.014 11.999 83 H ILE 43 H ILE 43 -1.024 5.794 7.418 84 HA ILE 43 HA ILE 43 1.202 7.555 7.236 85 HB ILE 43 HB ILE 43 1.872 6.366 5.253 86 1HG1 ILE 43 2HG1 ILE 43 -0.574 4.679 5.784 87 2HG1 ILE 43 3HG1 ILE 43 -0.347 5.731 4.376 88 1HG2 ILE 43 1HG2 ILE 43 2.499 4.410 6.529 89 2HG2 ILE 43 2HG2 ILE 43 2.415 5.750 7.660 90 3HG2 ILE 43 3HG2 ILE 43 1.088 4.577 7.596 91 1HD1 ILE 43 1HD1 ILE 43 0.140 3.428 3.769 92 2HD1 ILE 43 2HD1 ILE 43 1.674 4.329 3.772 93 3HD1 ILE 43 3HD1 ILE 43 1.256 3.233 5.112 94 H VAL 44 H VAL 44 -1.923 7.801 5.687 95 HA VAL 44 HA VAL 44 -1.071 10.122 4.085 96 HB VAL 44 HB VAL 44 -3.772 8.966 4.833 97 1HG1 VAL 44 1HG1 VAL 44 -4.714 10.582 3.164 98 2HG1 VAL 44 2HG1 VAL 44 -4.124 11.376 4.621 99 3HG1 VAL 44 3HG1 VAL 44 -3.149 11.418 3.133 100 1HG2 VAL 44 1HG2 VAL 44 -2.653 7.625 3.216 101 2HG2 VAL 44 2HG2 VAL 44 -3.861 8.585 2.359 102 3HG2 VAL 44 3HG2 VAL 44 -2.159 9.057 2.265 103 H ASN 45 H ASN 45 -2.742 9.555 7.192 104 HA ASN 45 HA ASN 45 -3.594 12.219 7.486 105 1HB ASN 45 2HB ASN 45 -3.241 10.040 9.598 106 2HB ASN 45 3HB ASN 45 -4.081 11.569 9.871 107 1HD2 ASN 45 1HD2 ASN 45 -5.518 11.825 7.394 108 2HD2 ASN 45 2HD2 ASN 45 -6.699 10.546 7.342 109 H GLY 46 H GLY 46 -0.710 10.664 8.993 110 1HA GLY 46 1HA GLY 46 0.653 13.188 9.208 111 2HA GLY 46 2HA GLY 46 -0.204 12.880 10.729 112 H LYS 47 H LYS 47 1.824 11.190 8.381 113 HA LYS 47 HA LYS 47 3.763 10.189 10.299 114 1HB LYS 47 2HB LYS 47 1.711 8.545 8.883 115 2HB LYS 47 3HB LYS 47 3.294 7.793 9.163 116 1HG LYS 47 2HG LYS 47 1.788 9.044 11.438 117 2HG LYS 47 3HG LYS 47 1.164 7.554 10.775 118 1HD LYS 47 2HD LYS 47 2.955 6.279 11.450 119 2HD LYS 47 3HD LYS 47 4.108 7.632 11.425 120 1HE LYS 47 2HE LYS 47 3.214 8.621 13.403 121 2HE LYS 47 3HE LYS 47 1.762 7.623 13.331 122 1HZ LYS 47 1HZ LYS 47 4.490 6.565 13.837 123 2HZ LYS 47 2HZ LYS 47 3.401 6.918 15.021 124 3HZ LYS 47 3HZ LYS 47 3.087 5.719 13.971 125 H THR 48 H THR 48 3.106 8.636 7.207 126 HA THR 48 HA THR 48 5.696 9.345 6.256 127 HB THR 48 HB THR 48 3.456 7.873 4.840 128 HG1 THR 48 1HG THR 48 5.376 6.856 6.655 129 1HG2 THR 48 1HG2 THR 48 6.440 8.129 4.512 130 2HG2 THR 48 2HG2 THR 48 5.701 6.538 4.302 131 3HG2 THR 48 3HG2 THR 48 5.160 7.921 3.305 132 H ASP 49 H ASP 49 2.411 10.009 4.839 133 HA ASP 49 HA ASP 49 3.254 11.329 2.547 134 1HB ASP 49 2HB ASP 49 0.949 10.652 3.139 135 2HB ASP 49 3HB ASP 49 0.849 11.975 4.317 136 H THR 50 H THR 50 2.672 12.709 5.777 137 HA THR 50 HA THR 50 3.749 15.319 5.057 138 HB THR 50 HB THR 50 3.074 14.351 7.839 139 HG1 THR 50 1HG THR 50 1.325 14.739 5.682 140 1HG2 THR 50 1HG2 THR 50 2.144 16.633 8.061 141 2HG2 THR 50 2HG2 THR 50 3.838 16.724 7.550 142 3HG2 THR 50 3HG2 THR 50 2.544 16.982 6.366 143 H GLY 51 H GLY 51 5.258 12.408 5.944 144 1HA GLY 51 1HA GLY 51 7.173 11.760 6.956 145 2HA GLY 51 2HA GLY 51 7.830 13.242 6.255 146 H VAL 52 H VAL 52 5.497 12.674 8.972 147 HA VAL 52 HA VAL 52 7.027 14.730 10.506 148 HB VAL 52 HB VAL 52 5.230 14.593 12.182 149 1HG1 VAL 52 1HG1 VAL 52 5.266 16.316 10.475 150 2HG1 VAL 52 2HG1 VAL 52 4.491 15.230 9.313 151 3HG1 VAL 52 3HG1 VAL 52 3.593 15.792 10.740 152 1HG2 VAL 52 1HG2 VAL 52 4.289 12.345 11.782 153 2HG2 VAL 52 2HG2 VAL 52 3.077 13.602 11.554 154 3HG2 VAL 52 3HG2 VAL 52 3.818 12.839 10.137 155 H LYS 53 H LYS 53 6.021 11.367 11.089 156 HA LYS 53 HA LYS 53 8.025 11.197 13.292 157 1HB LYS 53 2HB LYS 53 5.533 9.578 12.749 158 2HB LYS 53 3HB LYS 53 6.751 9.128 13.942 159 1HG LYS 53 2HG LYS 53 5.532 11.911 13.933 160 2HG LYS 53 3HG LYS 53 4.604 10.580 14.595 161 1HD LYS 53 2HD LYS 53 7.427 11.258 15.539 162 2HD LYS 53 3HD LYS 53 5.963 11.977 16.221 163 1HE LYS 53 2HE LYS 53 5.094 9.701 16.786 164 2HE LYS 53 3HE LYS 53 6.605 8.984 16.200 165 1HZ LYS 53 1HZ LYS 53 6.618 9.259 18.564 166 2HZ LYS 53 2HZ LYS 53 7.775 10.213 17.894 167 3HZ LYS 53 3HZ LYS 53 6.371 10.878 18.443 168 HA PRO 54 HA PRO 54 9.650 7.908 10.394 169 1HB PRO 54 2HB PRO 54 8.348 6.866 8.297 170 2HB PRO 54 3HB PRO 54 7.743 6.522 9.942 171 1HG PRO 54 2HG PRO 54 6.765 8.594 7.985 172 2HG PRO 54 3HG PRO 54 5.778 7.452 8.942 173 1HD PRO 54 2HD PRO 54 6.469 10.119 9.601 174 2HD PRO 54 3HD PRO 54 5.836 8.904 10.755 175 H GLU 55 H GLU 55 10.308 7.766 7.872 176 HA GLU 55 HA GLU 55 10.287 10.264 6.389 177 1HB GLU 55 2HB GLU 55 12.811 10.281 6.448 178 2HB GLU 55 3HB GLU 55 12.079 10.628 8.020 179 1HG GLU 55 2HG GLU 55 12.458 8.190 8.666 180 2HG GLU 55 3HG GLU 55 13.341 7.994 7.142 181 H ALA 56 H ALA 56 10.911 9.782 4.169 182 HA ALA 56 HA ALA 56 10.469 7.299 3.134 183 1HB ALA 56 1HB ALA 56 12.179 8.168 1.224 184 2HB ALA 56 2HB ALA 56 10.615 8.895 1.459 185 3HB ALA 56 3HB ALA 56 12.058 9.673 2.142 186 H GLY 57 H GLY 57 11.952 5.753 2.040 187 1HA GLY 57 1HA GLY 57 13.791 4.386 1.899 188 2HA GLY 57 2HA GLY 57 14.746 5.610 2.751 189 H GLN 58 H GLN 58 11.775 4.220 4.070 190 HA GLN 58 HA GLN 58 13.288 2.321 5.799 191 1HB GLN 58 2HB GLN 58 10.869 4.018 6.533 192 2HB GLN 58 3HB GLN 58 11.513 2.685 7.505 193 1HG GLN 58 2HG GLN 58 13.687 3.885 7.732 194 2HG GLN 58 3HG GLN 58 13.015 5.258 6.832 195 1HE2 GLN 58 1HE2 GLN 58 10.752 5.887 7.661 196 2HE2 GLN 58 2HE2 GLN 58 10.604 6.072 9.429 197 H ARG 59 H ARG 59 12.085 0.388 6.178 198 HA ARG 59 HA ARG 59 10.024 -0.166 4.132 199 1HB ARG 59 2HB ARG 59 11.399 -2.083 6.064 200 2HB ARG 59 3HB ARG 59 10.163 -2.483 4.868 201 1HG ARG 59 2HG ARG 59 11.968 -1.274 3.227 202 2HG ARG 59 3HG ARG 59 13.063 -1.852 4.483 203 1HD ARG 59 2HD ARG 59 11.504 -4.121 4.090 204 2HD ARG 59 3HD ARG 59 11.312 -3.347 2.532 205 HE ARG 59 HE ARG 59 13.456 -3.930 1.974 206 1HH1 ARG 59 2HH2 ARG 59 13.125 -4.041 5.459 207 2HH1 ARG 59 1HH2 ARG 59 14.551 -4.991 5.765 208 1HH2 ARG 59 1HH1 ARG 59 15.400 -5.183 2.299 209 2HH2 ARG 59 2HH1 ARG 59 15.902 -5.614 3.901 210 H ILE 60 H ILE 60 7.948 -0.717 4.699 211 HA ILE 60 HA ILE 60 7.180 -1.073 7.476 212 HB ILE 60 HB ILE 60 5.333 0.498 7.429 213 1HG1 ILE 60 2HG1 ILE 60 6.469 1.783 4.918 214 2HG1 ILE 60 3HG1 ILE 60 5.144 0.617 4.868 215 1HG2 ILE 60 1HG2 ILE 60 6.520 2.547 7.884 216 2HG2 ILE 60 2HG2 ILE 60 7.503 1.187 8.423 217 3HG2 ILE 60 3HG2 ILE 60 7.909 2.029 6.912 218 1HD1 ILE 60 1HD1 ILE 60 3.796 2.023 6.395 219 2HD1 ILE 60 2HD1 ILE 60 5.055 3.281 6.318 220 3HD1 ILE 60 3HD1 ILE 60 4.177 2.803 4.858 221 H ARG 61 H ARG 61 4.702 -1.644 7.402 222 HA ARG 61 HA ARG 61 4.008 -2.786 4.753 223 1HB ARG 61 2HB ARG 61 2.990 -4.099 7.236 224 2HB ARG 61 3HB ARG 61 3.256 -4.783 5.635 225 1HG ARG 61 2HG ARG 61 5.757 -4.640 6.098 226 2HG ARG 61 3HG ARG 61 5.364 -4.041 7.718 227 1HD ARG 61 2HD ARG 61 3.942 -6.158 7.982 228 2HD ARG 61 3HD ARG 61 4.843 -6.798 6.593 229 HE ARG 61 HE ARG 61 6.546 -5.643 8.682 230 1HH1 ARG 61 2HH2 ARG 61 4.852 -8.555 7.732 231 2HH1 ARG 61 1HH2 ARG 61 5.677 -9.603 8.852 232 1HH2 ARG 61 1HH1 ARG 61 7.776 -6.980 9.988 233 2HH2 ARG 61 2HH1 ARG 61 7.255 -8.601 10.377 234 H VAL 62 H VAL 62 2.074 -2.225 3.999 235 HA VAL 62 HA VAL 62 0.365 -0.383 5.616 236 HB VAL 62 HB VAL 62 1.012 0.544 3.503 237 1HG1 VAL 62 1HG1 VAL 62 -0.203 -1.874 2.076 238 2HG1 VAL 62 2HG1 VAL 62 0.416 -0.407 1.328 239 3HG1 VAL 62 3HG1 VAL 62 1.537 -1.473 2.165 240 1HG2 VAL 62 1HG2 VAL 62 -1.844 -0.456 3.233 241 2HG2 VAL 62 2HG2 VAL 62 -1.332 0.879 4.303 242 3HG2 VAL 62 3HG2 VAL 62 -1.157 1.022 2.541 243 H GLY 63 H GLY 63 -1.515 -1.264 6.508 244 1HA GLY 63 1HA GLY 63 -2.678 -3.678 5.174 245 2HA GLY 63 2HA GLY 63 -2.293 -3.695 6.905 246 H GLY 64 H GLY 64 -4.769 -3.330 4.722 247 1HA GLY 64 1HA GLY 64 -6.667 -2.186 6.494 248 2HA GLY 64 2HA GLY 64 -6.109 -0.945 5.349 249 H MET 65 H MET 65 -8.221 -0.951 4.290 250 HA MET 65 HA MET 65 -8.857 -3.415 2.745 251 1HB MET 65 2HB MET 65 -11.056 -2.417 2.313 252 2HB MET 65 3HB MET 65 -10.779 -2.976 3.960 253 1HG MET 65 2HG MET 65 -10.295 -0.076 3.266 254 2HG MET 65 3HG MET 65 -11.943 -0.647 3.468 255 1HE MET 65 1HE MET 65 -13.096 -1.275 5.656 256 2HE MET 65 2HE MET 65 -12.008 -2.676 5.836 257 3HE MET 65 3HE MET 65 -12.242 -1.553 7.191 258 H VAL 66 H VAL 66 -9.143 -3.300 0.546 259 HA VAL 66 HA VAL 66 -8.051 -0.824 -0.741 260 HB VAL 66 HB VAL 66 -8.667 -3.557 -1.881 261 1HG1 VAL 66 1HG1 VAL 66 -8.791 -2.274 -3.795 262 2HG1 VAL 66 2HG1 VAL 66 -7.891 -0.925 -3.100 263 3HG1 VAL 66 3HG1 VAL 66 -7.027 -2.286 -3.722 264 1HG2 VAL 66 1HG2 VAL 66 -6.573 -2.981 -0.184 265 2HG2 VAL 66 2HG2 VAL 66 -6.530 -4.154 -1.468 266 3HG2 VAL 66 3HG2 VAL 66 -5.882 -2.507 -1.731 267 H THR 67 H THR 67 -9.278 0.353 -2.249 268 HA THR 67 HA THR 67 -12.046 0.592 -2.037 269 HB THR 67 HB THR 67 -10.741 1.236 -4.610 270 HG1 THR 67 1HG THR 67 -9.550 2.660 -2.485 271 1HG2 THR 67 1HG2 THR 67 -11.414 3.552 -4.086 272 2HG2 THR 67 2HG2 THR 67 -12.767 2.430 -3.929 273 3HG2 THR 67 3HG2 THR 67 -11.942 3.034 -2.471 274 H VAL 68 H VAL 68 -13.098 0.503 -4.529 275 HA VAL 68 HA VAL 68 -12.818 -2.261 -5.565 276 HB VAL 68 HB VAL 68 -14.662 -2.265 -4.017 277 1HG1 VAL 68 1HG1 VAL 68 -16.666 -1.029 -4.283 278 2HG1 VAL 68 2HG1 VAL 68 -15.348 0.160 -4.331 279 3HG1 VAL 68 3HG1 VAL 68 -16.157 -0.340 -5.829 280 1HG2 VAL 68 1HG2 VAL 68 -14.588 -3.725 -5.982 281 2HG2 VAL 68 2HG2 VAL 68 -16.263 -3.305 -5.557 282 3HG2 VAL 68 3HG2 VAL 68 -15.464 -2.523 -6.941 283 H GLY 69 H GLY 69 -11.447 -1.110 -6.833 284 1HA GLY 69 1HA GLY 69 -11.656 -1.037 -9.366 285 2HA GLY 69 2HA GLY 69 -12.673 0.391 -9.150 286 H SER 70 H SER 70 -10.463 0.899 -6.766 287 HA SER 70 HA SER 70 -9.003 2.832 -8.170 288 1HB SER 70 2HB SER 70 -8.268 1.447 -5.576 289 2HB SER 70 3HB SER 70 -7.549 2.940 -6.220 290 HG SER 70 HG SER 70 -9.396 3.125 -4.709 291 H MET 71 H MET 71 -8.486 -0.619 -8.032 292 HA MET 71 HA MET 71 -5.697 -0.783 -8.610 293 1HB MET 71 2HB MET 71 -6.881 -2.772 -7.974 294 2HB MET 71 3HB MET 71 -8.113 -2.522 -9.222 295 1HG MET 71 2HG MET 71 -6.496 -4.341 -9.785 296 2HG MET 71 3HG MET 71 -6.650 -3.076 -10.993 297 1HE MET 71 1HE MET 71 -4.704 -3.648 -7.689 298 2HE MET 71 2HE MET 71 -4.156 -4.995 -8.706 299 3HE MET 71 3HE MET 71 -3.020 -3.692 -8.266 300 H VAL 72 H VAL 72 -4.649 -0.006 -10.376 301 HA VAL 72 HA VAL 72 -6.046 -0.189 -12.992 302 HB VAL 72 HB VAL 72 -4.893 1.798 -13.813 303 1HG1 VAL 72 1HG1 VAL 72 -6.411 3.436 -12.825 304 2HG1 VAL 72 2HG1 VAL 72 -7.253 1.891 -13.038 305 3HG1 VAL 72 3HG1 VAL 72 -6.698 2.386 -11.425 306 1HG2 VAL 72 1HG2 VAL 72 -3.048 2.015 -12.216 307 2HG2 VAL 72 2HG2 VAL 72 -4.020 3.491 -12.248 308 3HG2 VAL 72 3HG2 VAL 72 -4.202 2.354 -10.896 309 H ARG 73 H ARG 73 -4.911 -1.267 -14.468 310 HA ARG 73 HA ARG 73 -2.198 -2.187 -13.723 311 1HB ARG 73 2HB ARG 73 -2.793 -4.425 -14.541 312 2HB ARG 73 3HB ARG 73 -3.878 -3.921 -13.246 313 1HG ARG 73 2HG ARG 73 -5.385 -4.834 -14.661 314 2HG ARG 73 3HG ARG 73 -5.418 -3.211 -15.348 315 1HD ARG 73 2HD ARG 73 -3.795 -3.922 -17.104 316 2HD ARG 73 3HD ARG 73 -3.636 -5.504 -16.384 317 HE ARG 73 HE ARG 73 -5.773 -4.436 -18.057 318 1HH1 ARG 73 2HH2 ARG 73 -5.020 -6.912 -15.674 319 2HH1 ARG 73 1HH2 ARG 73 -6.175 -8.075 -16.247 320 1HH2 ARG 73 1HH1 ARG 73 -7.346 -5.933 -18.855 321 2HH2 ARG 73 2HH1 ARG 73 -7.553 -7.479 -18.098 322 H ASP 74 H ASP 74 -0.701 -2.342 -15.469 323 HA ASP 74 HA ASP 74 -1.554 -0.935 -17.911 324 1HB ASP 74 2HB ASP 74 1.009 -1.614 -16.572 325 2HB ASP 74 3HB ASP 74 1.033 -1.758 -18.320 326 HA PRO 75 HA PRO 75 -2.035 -4.672 -20.353 327 1HB PRO 75 2HB PRO 75 -1.119 -3.886 -22.812 328 2HB PRO 75 3HB PRO 75 -2.659 -3.301 -22.121 329 1HG PRO 75 2HG PRO 75 0.031 -1.903 -22.066 330 2HG PRO 75 3HG PRO 75 -1.548 -1.220 -22.544 331 1HD PRO 75 2HD PRO 75 -0.534 -0.863 -20.055 332 2HD PRO 75 3HD PRO 75 -2.285 -1.125 -20.288 333 H ASN 76 H ASN 76 1.031 -2.927 -20.267 334 HA ASN 76 HA ASN 76 2.923 -4.580 -21.257 335 1HB ASN 76 2HB ASN 76 3.279 -3.453 -18.468 336 2HB ASN 76 3HB ASN 76 4.504 -3.647 -19.728 337 1HD2 ASN 76 1HD2 ASN 76 3.710 -1.280 -18.108 338 2HD2 ASN 76 2HD2 ASN 76 2.830 -0.157 -19.102 339 H SER 77 H SER 77 1.203 -4.981 -18.211 340 HA SER 77 HA SER 77 0.621 -6.756 -17.046 341 1HB SER 77 2HB SER 77 2.450 -8.538 -18.706 342 2HB SER 77 3HB SER 77 1.214 -9.038 -17.566 343 HG SER 77 HG SER 77 0.629 -7.392 -19.823 344 H LEU 78 H LEU 78 3.616 -5.358 -16.993 345 HA LEU 78 HA LEU 78 4.205 -6.664 -14.374 346 1HB LEU 78 2HB LEU 78 6.558 -6.137 -14.683 347 2HB LEU 78 3HB LEU 78 5.944 -7.385 -15.744 348 HG LEU 78 HG LEU 78 7.648 -5.705 -16.647 349 1HD1 LEU 78 1HD1 LEU 78 5.139 -6.159 -18.266 350 2HD1 LEU 78 2HD1 LEU 78 6.754 -5.810 -18.895 351 3HD1 LEU 78 3HD1 LEU 78 6.447 -7.329 -18.031 352 1HD2 LEU 78 1HD2 LEU 78 5.217 -3.894 -16.941 353 2HD2 LEU 78 2HD2 LEU 78 6.655 -3.595 -15.932 354 3HD2 LEU 78 3HD2 LEU 78 6.799 -3.659 -17.691 355 H HIS 79 H HID 79 2.479 -4.304 -15.046 356 HA HIS 79 HA HID 79 3.619 -2.624 -12.923 357 1HB HIS 79 2HB HID 79 3.078 -1.719 -15.765 358 2HB HIS 79 3HB HID 79 2.785 -0.629 -14.413 359 HD1 HIS 79 1HD HID 79 5.333 -1.122 -12.639 360 HD2 HIS 79 2HD HID 79 5.274 -0.783 -16.834 361 HE1 HIS 79 1HE HID 79 7.657 -0.361 -13.343 362 H VAL 80 H VAL 80 2.066 -2.768 -11.430 363 HA VAL 80 HA VAL 80 -0.648 -1.990 -12.292 364 HB VAL 80 HB VAL 80 -1.636 -3.718 -10.852 365 1HG1 VAL 80 1HG1 VAL 80 0.164 -5.211 -12.762 366 2HG1 VAL 80 2HG1 VAL 80 -1.524 -5.544 -12.326 367 3HG1 VAL 80 3HG1 VAL 80 -1.108 -4.138 -13.331 368 1HG2 VAL 80 1HG2 VAL 80 -0.228 -5.722 -10.192 369 2HG2 VAL 80 2HG2 VAL 80 1.205 -4.732 -10.472 370 3HG2 VAL 80 3HG2 VAL 80 0.005 -4.232 -9.254 371 H GLN 81 H GLN 81 -1.615 -0.587 -10.801 372 HA GLN 81 HA GLN 81 -0.270 -0.379 -8.151 373 1HB GLN 81 2HB GLN 81 -0.241 2.065 -8.272 374 2HB GLN 81 3HB GLN 81 0.826 1.339 -9.492 375 1HG GLN 81 2HG GLN 81 -0.809 1.721 -11.246 376 2HG GLN 81 3HG GLN 81 -2.015 2.235 -10.046 377 1HE2 GLN 81 1HE2 GLN 81 -2.341 4.262 -11.029 378 2HE2 GLN 81 2HE2 GLN 81 -1.090 5.482 -11.015 379 H PHE 82 H PHE 82 -1.577 0.645 -6.530 380 HA PHE 82 HA PHE 82 -4.464 0.779 -7.083 381 1HB PHE 82 2HB PHE 82 -4.994 -1.099 -5.596 382 2HB PHE 82 3HB PHE 82 -4.080 -1.615 -6.997 383 HD1 PHE 82 1HD PHE 82 -1.680 -2.354 -6.767 384 HD2 PHE 82 2HD PHE 82 -4.056 -1.256 -3.346 385 HE1 PHE 82 1HE PHE 82 -0.204 -3.707 -5.308 386 HE2 PHE 82 2HE PHE 82 -2.524 -2.565 -1.881 387 HZ PHE 82 HZ PHE 82 -0.720 -3.924 -2.872 388 H ALA 83 H ALA 83 -5.684 1.303 -5.113 389 HA ALA 83 HA ALA 83 -4.027 2.981 -3.306 390 1HB ALA 83 1HB ALA 83 -5.704 4.565 -3.316 391 2HB ALA 83 2HB ALA 83 -5.698 4.032 -4.985 392 3HB ALA 83 3HB ALA 83 -6.954 3.430 -3.875 393 H VAL 84 H VAL 84 -4.253 2.671 -1.119 394 HA VAL 84 HA VAL 84 -6.243 0.607 -0.187 395 HB VAL 84 HB VAL 84 -3.518 0.993 1.088 396 1HG1 VAL 84 1HG1 VAL 84 -5.392 -0.182 2.358 397 2HG1 VAL 84 2HG1 VAL 84 -5.466 -1.365 1.056 398 3HG1 VAL 84 3HG1 VAL 84 -3.996 -1.224 2.033 399 1HG2 VAL 84 1HG2 VAL 84 -4.265 -1.017 -1.055 400 2HG2 VAL 84 2HG2 VAL 84 -3.037 0.260 -1.217 401 3HG2 VAL 84 3HG2 VAL 84 -2.787 -1.064 -0.069 402 H HIS 85 H HID 85 -7.410 1.147 1.654 403 HA HIS 85 HA HID 85 -6.796 3.678 3.076 404 1HB HIS 85 2HB HID 85 -9.049 4.427 2.924 405 2HB HIS 85 3HB HID 85 -8.448 4.164 1.293 406 HD1 HIS 85 1HD HID 85 -11.508 3.694 3.022 407 HD2 HIS 85 2HD HID 85 -9.196 1.490 0.297 408 HE1 HIS 85 1HE HID 85 -13.072 1.995 1.953 409 H ASP 86 H ASP 86 -7.925 3.760 5.253 410 HA ASP 86 HA ASP 86 -8.413 0.976 6.234 411 1HB ASP 86 2HB ASP 86 -6.613 2.717 7.165 412 2HB ASP 86 3HB ASP 86 -7.998 3.286 8.093 413 H SER 87 H SER 87 -10.233 3.035 4.814 414 HA SER 87 HA SER 87 -12.335 3.888 4.940 415 1HB SER 87 2HB SER 87 -12.818 1.445 5.072 416 2HB SER 87 3HB SER 87 -12.848 1.570 6.844 417 HG SER 87 HG SER 87 -14.493 3.182 6.550 418 H LEU 88 H LEU 88 -10.327 4.860 6.889 419 HA LEU 88 HA LEU 88 -12.115 5.975 9.000 420 1HB LEU 88 2HB LEU 88 -9.175 5.383 8.789 421 2HB LEU 88 3HB LEU 88 -9.645 6.816 9.694 422 HG LEU 88 HG LEU 88 -11.326 4.504 10.430 423 1HD1 LEU 88 1HD1 LEU 88 -8.325 4.256 10.825 424 2HD1 LEU 88 2HD1 LEU 88 -9.558 3.316 11.697 425 3HD1 LEU 88 3HD1 LEU 88 -9.421 3.164 9.944 426 1HD2 LEU 88 1HD2 LEU 88 -11.147 6.657 11.683 427 2HD2 LEU 88 2HD2 LEU 88 -10.725 5.251 12.683 428 3HD2 LEU 88 3HD2 LEU 88 -9.441 6.289 12.031 429 H GLY 89 H GLY 89 -9.324 7.129 7.029 430 1HA GLY 89 1HA GLY 89 -10.781 9.084 5.588 431 2HA GLY 89 2HA GLY 89 -10.257 9.836 7.108 432 H GLY 90 H GLY 90 -8.787 7.570 4.701 433 1HA GLY 90 1HA GLY 90 -7.011 9.388 3.563 434 2HA GLY 90 2HA GLY 90 -6.146 8.642 4.925 435 H GLU 91 H GLU 91 -6.054 8.348 1.825 436 HA GLU 91 HA GLU 91 -6.061 5.403 1.710 437 1HB GLU 91 2HB GLU 91 -8.147 6.297 0.659 438 2HB GLU 91 3HB GLU 91 -7.169 7.296 -0.419 439 1HG GLU 91 2HG GLU 91 -6.205 5.398 -1.466 440 2HG GLU 91 3HG GLU 91 -6.892 4.263 -0.309 441 H ILE 92 H ILE 92 -4.030 4.748 1.089 442 HA ILE 92 HA ILE 92 -2.187 6.790 -0.056 443 HB ILE 92 HB ILE 92 -1.862 4.989 2.122 444 1HG1 ILE 92 2HG1 ILE 92 -0.764 7.040 2.275 445 2HG1 ILE 92 3HG1 ILE 92 0.499 5.831 2.174 446 1HG2 ILE 92 1HG2 ILE 92 -1.324 3.159 0.597 447 2HG2 ILE 92 2HG2 ILE 92 0.000 4.116 -0.115 448 3HG2 ILE 92 3HG2 ILE 92 0.063 3.629 1.570 449 1HD1 ILE 92 1HD1 ILE 92 1.209 7.647 0.887 450 2HD1 ILE 92 2HD1 ILE 92 0.702 6.438 -0.311 451 3HD1 ILE 92 3HD1 ILE 92 -0.331 7.844 0.068 452 H LEU 93 H LEU 93 -0.768 6.091 -1.821 453 HA LEU 93 HA LEU 93 -2.067 4.022 -3.509 454 1HB LEU 93 2HB LEU 93 -0.367 6.463 -4.086 455 2HB LEU 93 3HB LEU 93 -0.479 5.172 -5.286 456 HG LEU 93 HG LEU 93 -2.999 6.382 -4.111 457 1HD1 LEU 93 1HD1 LEU 93 -3.127 7.948 -5.942 458 2HD1 LEU 93 2HD1 LEU 93 -1.599 8.238 -5.094 459 3HD1 LEU 93 3HD1 LEU 93 -1.620 7.354 -6.648 460 1HD2 LEU 93 1HD2 LEU 93 -3.944 5.611 -6.273 461 2HD2 LEU 93 2HD2 LEU 93 -2.340 5.056 -6.792 462 3HD2 LEU 93 3HD2 LEU 93 -3.167 4.254 -5.445 463 H VAL 94 H VAL 94 -1.166 2.128 -3.718 464 HA VAL 94 HA VAL 94 1.689 1.669 -3.088 465 HB VAL 94 HB VAL 94 -0.674 -0.227 -3.368 466 1HG1 VAL 94 1HG1 VAL 94 1.335 -1.398 -4.094 467 2HG1 VAL 94 2HG1 VAL 94 2.259 -0.745 -2.725 468 3HG1 VAL 94 3HG1 VAL 94 0.967 -1.927 -2.448 469 1HG2 VAL 94 1HG2 VAL 94 0.948 0.551 -0.908 470 2HG2 VAL 94 2HG2 VAL 94 -0.696 1.121 -1.258 471 3HG2 VAL 94 3HG2 VAL 94 -0.402 -0.599 -0.965 472 H THR 95 H THR 95 3.073 0.992 -4.713 473 HA THR 95 HA THR 95 1.941 0.607 -7.445 474 HB THR 95 HB THR 95 4.283 1.338 -8.141 475 HG1 THR 95 1HG THR 95 5.519 2.376 -6.620 476 1HG2 THR 95 1HG2 THR 95 2.339 2.875 -8.305 477 2HG2 THR 95 2HG2 THR 95 2.596 3.386 -6.623 478 3HG2 THR 95 3HG2 THR 95 3.813 3.755 -7.863 479 H TYR 96 H TYR 96 2.631 -1.234 -8.553 480 HA TYR 96 HA TYR 96 4.518 -3.081 -7.188 481 1HB TYR 96 2HB TYR 96 1.993 -3.318 -6.631 482 2HB TYR 96 3HB TYR 96 1.821 -3.887 -8.270 483 HD1 TYR 96 HD1 TYR 96 3.388 -5.924 -8.966 484 HD2 TYR 96 HD2 TYR 96 2.344 -4.819 -4.949 485 HE1 TYR 96 HE1 TYR 96 3.762 -8.269 -8.215 486 HE2 TYR 96 HE2 TYR 96 2.750 -7.117 -4.205 487 HH TYR 96 HH TYR 96 3.873 -9.131 -4.819 488 H ASP 97 H ASP 97 6.129 -3.018 -8.759 489 HA ASP 97 HA ASP 97 5.446 -2.935 -11.585 490 1HB ASP 97 2HB ASP 97 7.911 -2.704 -11.804 491 2HB ASP 97 3HB ASP 97 7.145 -1.459 -10.810 492 H ASP 98 H ASP 98 4.314 -5.169 -10.843 493 HA ASP 98 HA ASP 98 5.482 -7.119 -12.486 494 1HB ASP 98 2HB ASP 98 6.859 -7.362 -10.209 495 2HB ASP 98 3HB ASP 98 5.423 -8.215 -9.671 496 H LEU 99 H LEU 99 4.122 -9.337 -11.869 497 HA LEU 99 HA LEU 99 1.271 -8.592 -11.915 498 1HB LEU 99 2HB LEU 99 2.734 -11.266 -12.006 499 2HB LEU 99 3HB LEU 99 0.991 -11.111 -11.860 500 HG LEU 99 HG LEU 99 1.398 -9.452 -13.985 501 1HD1 LEU 99 1HD1 LEU 99 3.361 -11.776 -14.299 502 2HD1 LEU 99 2HD1 LEU 99 2.916 -10.606 -15.558 503 3HD1 LEU 99 3HD1 LEU 99 3.817 -10.067 -14.129 504 1HD2 LEU 99 1HD2 LEU 99 0.528 -11.286 -15.366 505 2HD2 LEU 99 2HD2 LEU 99 0.892 -12.445 -14.065 506 3HD2 LEU 99 3HD2 LEU 99 -0.320 -11.167 -13.816 507 H LEU 100 H LEU 100 -0.111 -8.596 -10.266 508 HA LEU 100 HA LEU 100 0.736 -9.294 -7.553 509 1HB LEU 100 2HB LEU 100 -1.742 -8.119 -8.876 510 2HB LEU 100 3HB LEU 100 -1.808 -8.651 -7.203 511 HG LEU 100 HG LEU 100 0.351 -6.720 -8.113 512 1HD1 LEU 100 1HD1 LEU 100 -2.354 -5.928 -6.942 513 2HD1 LEU 100 2HD1 LEU 100 -1.036 -4.865 -7.406 514 3HD1 LEU 100 3HD1 LEU 100 -1.924 -5.769 -8.657 515 1HD2 LEU 100 1HD2 LEU 100 0.621 -7.792 -5.901 516 2HD2 LEU 100 2HD2 LEU 100 0.208 -6.070 -5.694 517 3HD2 LEU 100 3HD2 LEU 100 -1.008 -7.307 -5.452 518 HA PRO 101 HA PRO 101 -1.133 -13.397 -7.482 519 1HB PRO 101 2HB PRO 101 -2.226 -13.544 -4.981 520 2HB PRO 101 3HB PRO 101 -0.454 -13.517 -5.235 521 1HG PRO 101 2HG PRO 101 -2.251 -11.136 -4.635 522 2HG PRO 101 3HG PRO 101 -0.809 -11.627 -3.724 523 1HD PRO 101 2HD PRO 101 -0.648 -9.769 -5.658 524 2HD PRO 101 3HD PRO 101 0.633 -11.009 -5.585 525 H ASP 102 H ASP 102 -3.207 -14.278 -7.895 526 HA ASP 102 HA ASP 102 -5.222 -14.209 -8.918 527 1HB ASP 102 2HB ASP 102 -5.734 -13.005 -6.169 528 2HB ASP 102 3HB ASP 102 -6.992 -13.654 -7.227 529 H LEU 103 H LEU 103 -3.683 -11.758 -9.609 530 HA LEU 103 HA LEU 103 -3.922 -9.741 -10.547 531 1HB LEU 103 2HB LEU 103 -5.301 -10.918 -12.107 532 2HB LEU 103 3HB LEU 103 -6.729 -10.777 -11.086 533 HG LEU 103 HG LEU 103 -6.959 -8.442 -11.512 534 1HD1 LEU 103 1HD1 LEU 103 -4.385 -8.653 -13.180 535 2HD1 LEU 103 2HD1 LEU 103 -5.453 -7.235 -13.096 536 3HD1 LEU 103 3HD1 LEU 103 -4.537 -7.733 -11.674 537 1HD2 LEU 103 1HD2 LEU 103 -7.396 -8.527 -13.912 538 2HD2 LEU 103 2HD2 LEU 103 -6.339 -9.949 -14.079 539 3HD2 LEU 103 3HD2 LEU 103 -7.843 -10.060 -13.140 540 H PHE 104 H PHE 104 -4.847 -10.267 -7.586 541 HA PHE 104 HA PHE 104 -5.526 -9.087 -5.816 542 1HB PHE 104 2HB PHE 104 -3.703 -7.690 -6.865 543 2HB PHE 104 3HB PHE 104 -4.961 -6.629 -7.476 544 HD1 PHE 104 1HD PHE 104 -6.508 -5.458 -5.799 545 HD2 PHE 104 2HD PHE 104 -2.901 -7.502 -4.535 546 HE1 PHE 104 1HE PHE 104 -6.489 -4.260 -3.700 547 HE2 PHE 104 2HE PHE 104 -2.611 -5.866 -2.765 548 HZ PHE 104 HZ PHE 104 -4.383 -4.185 -2.326 549 H ARG 105 H ARG 105 -7.707 -9.836 -5.980 550 HA ARG 105 HA ARG 105 -9.638 -8.426 -7.634 551 1HB ARG 105 2HB ARG 105 -10.032 -10.384 -5.345 552 2HB ARG 105 3HB ARG 105 -11.264 -9.874 -6.525 553 1HG ARG 105 2HG ARG 105 -10.040 -10.982 -8.330 554 2HG ARG 105 3HG ARG 105 -8.700 -11.356 -7.242 555 1HD ARG 105 2HD ARG 105 -9.992 -13.333 -7.526 556 2HD ARG 105 3HD ARG 105 -10.141 -12.819 -5.864 557 HE ARG 105 HE ARG 105 -12.180 -12.859 -8.011 558 1HH1 ARG 105 2HH2 ARG 105 -11.519 -11.756 -4.718 559 2HH1 ARG 105 1HH2 ARG 105 -13.179 -11.709 -4.225 560 1HH2 ARG 105 1HH1 ARG 105 -14.389 -12.842 -7.381 561 2HH2 ARG 105 2HH1 ARG 105 -14.844 -12.330 -5.789 562 H GLU 106 H GLU 106 -10.641 -6.537 -7.067 563 HA GLU 106 HA GLU 106 -9.763 -5.276 -4.676 564 1HB GLU 106 2HB GLU 106 -11.869 -4.260 -6.623 565 2HB GLU 106 3HB GLU 106 -10.752 -3.335 -5.602 566 1HG GLU 106 2HG GLU 106 -9.613 -3.112 -7.515 567 2HG GLU 106 3HG GLU 106 -8.911 -4.668 -7.064 568 H GLY 107 H GLY 107 -11.505 -3.756 -3.488 569 1HA GLY 107 1HA GLY 107 -13.111 -3.703 -1.879 570 2HA GLY 107 2HA GLY 107 -14.074 -4.782 -2.901 571 H GLN 108 H GLN 108 -10.896 -5.329 -1.255 572 HA GLN 108 HA GLN 108 -12.146 -6.934 0.816 573 1HB GLN 108 2HB GLN 108 -10.828 -8.897 0.494 574 2HB GLN 108 3HB GLN 108 -11.619 -8.569 -1.050 575 1HG GLN 108 2HG GLN 108 -9.478 -7.506 -1.862 576 2HG GLN 108 3HG GLN 108 -8.723 -7.910 -0.315 577 1HE2 GLN 108 1HE2 GLN 108 -10.074 -9.284 -3.261 578 2HE2 GLN 108 2HE2 GLN 108 -9.404 -10.907 -3.008 579 H GLY 109 H GLY 109 -10.149 -7.667 2.283 580 1HA GLY 109 1HA GLY 109 -8.307 -5.342 2.552 581 2HA GLY 109 2HA GLY 109 -8.815 -6.368 3.889 582 H ILE 110 H ILE 110 -6.152 -5.661 2.822 583 HA ILE 110 HA ILE 110 -4.981 -8.316 2.628 584 HB ILE 110 HB ILE 110 -3.678 -7.885 0.617 585 1HG1 ILE 110 2HG1 ILE 110 -4.779 -5.841 -0.790 586 2HG1 ILE 110 3HG1 ILE 110 -4.801 -5.123 0.809 587 1HG2 ILE 110 1HG2 ILE 110 -6.538 -7.293 -0.188 588 2HG2 ILE 110 2HG2 ILE 110 -5.288 -8.136 -1.113 589 3HG2 ILE 110 3HG2 ILE 110 -6.001 -8.907 0.306 590 1HD1 ILE 110 1HD1 ILE 110 -2.360 -6.412 -0.531 591 2HD1 ILE 110 2HD1 ILE 110 -2.716 -4.665 -0.485 592 3HD1 ILE 110 3HD1 ILE 110 -2.366 -5.530 1.016 593 H VAL 111 H VAL 111 -2.518 -8.008 2.879 594 HA VAL 111 HA VAL 111 -1.855 -5.289 3.899 595 HB VAL 111 HB VAL 111 -0.573 -6.170 5.706 596 1HG1 VAL 111 1HG1 VAL 111 -3.064 -5.754 6.037 597 2HG1 VAL 111 2HG1 VAL 111 -3.318 -7.492 5.854 598 3HG1 VAL 111 3HG1 VAL 111 -2.331 -6.874 7.193 599 1HG2 VAL 111 1HG2 VAL 111 0.103 -8.374 4.833 600 2HG2 VAL 111 2HG2 VAL 111 -0.706 -8.566 6.390 601 3HG2 VAL 111 3HG2 VAL 111 -1.585 -8.936 4.898 602 H ALA 112 H ALA 112 -0.032 -4.443 3.059 603 HA ALA 112 HA ALA 112 1.553 -6.159 1.198 604 1HB ALA 112 1HB ALA 112 1.676 -4.388 -0.346 605 2HB ALA 112 2HB ALA 112 -0.039 -4.430 0.139 606 3HB ALA 112 3HB ALA 112 1.053 -3.210 0.798 607 H GLN 113 H GLN 113 3.734 -6.092 1.404 608 HA GLN 113 HA GLN 113 4.924 -4.220 3.397 609 1HB GLN 113 2HB GLN 113 4.878 -6.403 4.310 610 2HB GLN 113 3HB GLN 113 5.394 -7.161 2.811 611 1HG GLN 113 2HG GLN 113 7.642 -6.234 3.013 612 2HG GLN 113 3HG GLN 113 7.157 -5.256 4.401 613 1HE2 GLN 113 1HE2 GLN 113 7.737 -8.580 3.273 614 2HE2 GLN 113 2HE2 GLN 113 7.846 -9.315 4.867 615 H GLY 114 H GLY 114 6.756 -3.146 2.855 616 1HA GLY 114 1HA GLY 114 8.759 -3.932 1.208 617 2HA GLY 114 2HA GLY 114 7.704 -3.072 0.092 618 H VAL 115 H VAL 115 8.460 -0.991 -0.197 619 HA VAL 115 HA VAL 115 9.604 0.422 2.152 620 HB VAL 115 HB VAL 115 11.355 -0.885 0.929 621 1HG1 VAL 115 1HG1 VAL 115 12.127 -0.159 -1.257 622 2HG1 VAL 115 2HG1 VAL 115 10.435 -0.668 -1.375 623 3HG1 VAL 115 3HG1 VAL 115 10.847 1.062 -1.359 624 1HG2 VAL 115 1HG2 VAL 115 13.002 0.892 0.827 625 2HG2 VAL 115 2HG2 VAL 115 11.738 2.131 0.792 626 3HG2 VAL 115 3HG2 VAL 115 11.954 1.108 2.231 627 H LEU 116 H LEU 116 9.713 2.650 2.023 628 HA LEU 116 HA LEU 116 7.593 3.775 0.472 629 1HB LEU 116 2HB LEU 116 9.725 4.890 2.299 630 2HB LEU 116 3HB LEU 116 8.977 6.020 1.173 631 HG LEU 116 HG LEU 116 7.885 6.040 3.346 632 1HD1 LEU 116 1HD1 LEU 116 6.281 5.300 0.870 633 2HD1 LEU 116 2HD1 LEU 116 5.481 5.620 2.386 634 3HD1 LEU 116 3HD1 LEU 116 6.527 6.851 1.644 635 1HD2 LEU 116 1HD2 LEU 116 7.022 3.179 2.771 636 2HD2 LEU 116 2HD2 LEU 116 8.201 3.703 3.986 637 3HD2 LEU 116 3HD2 LEU 116 6.506 4.196 4.127 638 H GLY 117 H GLY 117 7.535 5.100 -1.248 639 1HA GLY 117 1HA GLY 117 9.916 5.297 -3.032 640 2HA GLY 117 2HA GLY 117 8.248 5.025 -3.570 641 H GLU 118 H GLU 118 10.548 7.369 -2.942 642 HA GLU 118 HA GLU 118 10.550 9.618 -3.072 643 1HB GLU 118 2HB GLU 118 9.085 8.591 -5.131 644 2HB GLU 118 3HB GLU 118 7.849 9.623 -4.426 645 1HG GLU 118 2HG GLU 118 9.371 11.561 -4.589 646 2HG GLU 118 3HG GLU 118 10.678 10.513 -5.167 647 H ASP 119 H ASP 119 9.591 8.635 -0.678 648 HA ASP 119 HA ASP 119 8.209 8.762 1.032 649 1HB ASP 119 2HB ASP 119 9.886 10.947 0.935 650 2HB ASP 119 3HB ASP 119 8.353 11.758 1.153 651 H GLY 120 H GLY 120 6.586 8.407 -1.115 652 1HA GLY 120 1HA GLY 120 4.081 9.717 -0.201 653 2HA GLY 120 2HA GLY 120 4.657 10.121 -1.827 654 H LYS 121 H LYS 121 5.555 7.799 -2.872 655 HA LYS 121 HA LYS 121 3.100 6.130 -3.099 656 1HB LYS 121 2HB LYS 121 5.477 6.829 -4.782 657 2HB LYS 121 3HB LYS 121 5.004 5.150 -4.869 658 1HG LYS 121 2HG LYS 121 3.926 6.553 -6.583 659 2HG LYS 121 3HG LYS 121 2.741 5.737 -5.529 660 1HD LYS 121 2HD LYS 121 2.220 7.783 -4.356 661 2HD LYS 121 3HD LYS 121 3.686 8.573 -4.938 662 1HE LYS 121 2HE LYS 121 1.642 9.428 -6.019 663 2HE LYS 121 3HE LYS 121 2.838 8.793 -7.158 664 1HZ LYS 121 1HZ LYS 121 0.458 7.319 -6.257 665 2HZ LYS 121 2HZ LYS 121 0.607 8.099 -7.698 666 3HZ LYS 121 3HZ LYS 121 1.559 6.803 -7.369 667 H LEU 122 H LEU 122 3.143 3.873 -2.712 668 HA LEU 122 HA LEU 122 5.373 2.989 -0.890 669 1HB LEU 122 2HB LEU 122 2.432 2.331 -1.109 670 2HB LEU 122 3HB LEU 122 3.553 1.216 -0.329 671 HG LEU 122 HG LEU 122 2.298 2.674 1.216 672 1HD1 LEU 122 1HD1 LEU 122 4.206 3.281 2.639 673 2HD1 LEU 122 2HD1 LEU 122 4.401 1.665 1.928 674 3HD1 LEU 122 3HD1 LEU 122 5.314 3.045 1.283 675 1HD2 LEU 122 1HD2 LEU 122 2.746 5.006 1.495 676 2HD2 LEU 122 2HD2 LEU 122 4.025 4.994 0.282 677 3HD2 LEU 122 3HD2 LEU 122 2.338 4.760 -0.214 678 H ALA 123 H ALA 123 6.864 1.678 -1.848 679 HA ALA 123 HA ALA 123 6.054 0.174 -4.301 680 1HB ALA 123 1HB ALA 123 8.478 -0.164 -4.558 681 2HB ALA 123 2HB ALA 123 8.058 1.559 -4.486 682 3HB ALA 123 3HB ALA 123 8.780 0.764 -3.073 683 H ALA 124 H ALA 124 4.943 -1.612 -3.510 684 HA ALA 124 HA ALA 124 6.260 -3.236 -1.360 685 1HB ALA 124 1HB ALA 124 4.064 -3.515 -0.309 686 2HB ALA 124 2HB ALA 124 4.579 -1.816 -0.323 687 3HB ALA 124 3HB ALA 124 3.357 -2.390 -1.481 688 H THR 125 H THR 125 6.971 -4.921 -2.555 689 HA THR 125 HA THR 125 5.206 -6.150 -4.497 690 HB THR 125 HB THR 125 7.538 -5.881 -4.996 691 HG1 THR 125 1HG THR 125 6.289 -7.595 -5.921 692 1HG2 THR 125 1HG2 THR 125 8.517 -6.365 -2.706 693 2HG2 THR 125 2HG2 THR 125 8.106 -8.074 -2.962 694 3HG2 THR 125 3HG2 THR 125 9.259 -7.276 -4.032 695 H GLU 126 H GLU 126 5.982 -6.712 -1.087 696 HA GLU 126 HA GLU 126 5.116 -9.551 -1.211 697 1HB GLU 126 2HB GLU 126 6.295 -7.725 0.869 698 2HB GLU 126 3HB GLU 126 5.713 -9.348 1.278 699 1HG GLU 126 2HG GLU 126 7.410 -10.413 0.120 700 2HG GLU 126 3HG GLU 126 7.545 -9.148 -1.096 701 H VAL 127 H VAL 127 2.926 -9.174 -1.875 702 HA VAL 127 HA VAL 127 1.133 -7.929 0.151 703 HB VAL 127 HB VAL 127 -0.638 -8.207 -1.526 704 1HG1 VAL 127 1HG1 VAL 127 1.796 -6.516 -2.214 705 2HG1 VAL 127 2HG1 VAL 127 0.233 -6.379 -3.053 706 3HG1 VAL 127 3HG1 VAL 127 0.332 -6.073 -1.318 707 1HG2 VAL 127 1HG2 VAL 127 -0.120 -8.639 -3.816 708 2HG2 VAL 127 2HG2 VAL 127 1.603 -8.906 -3.477 709 3HG2 VAL 127 3HG2 VAL 127 0.387 -10.033 -2.868 710 H LEU 128 H LEU 128 -0.061 -9.044 1.502 711 HA LEU 128 HA LEU 128 -0.370 -12.000 1.172 712 1HB LEU 128 2HB LEU 128 -0.302 -10.445 3.763 713 2HB LEU 128 3HB LEU 128 -0.376 -12.182 3.546 714 HG LEU 128 HG LEU 128 1.752 -11.666 4.339 715 1HD1 LEU 128 1HD1 LEU 128 1.762 -13.356 2.541 716 2HD1 LEU 128 2HD1 LEU 128 2.165 -12.084 1.363 717 3HD1 LEU 128 3HD1 LEU 128 3.295 -12.459 2.674 718 1HD2 LEU 128 1HD2 LEU 128 2.355 -9.713 2.109 719 2HD2 LEU 128 2HD2 LEU 128 1.843 -9.231 3.735 720 3HD2 LEU 128 3HD2 LEU 128 3.350 -10.124 3.499 721 H ALA 129 H ALA 129 -2.422 -12.217 0.421 722 HA ALA 129 HA ALA 129 -4.511 -10.280 1.073 723 1HB ALA 129 1HB ALA 129 -5.860 -11.568 -0.540 724 2HB ALA 129 2HB ALA 129 -4.287 -11.107 -1.219 725 3HB ALA 129 3HB ALA 129 -4.563 -12.776 -0.666 726 H LYS 130 H LYS 130 -4.002 -11.089 3.439 727 HA LYS 130 HA LYS 130 -5.384 -13.594 4.125 728 1HB LYS 130 2HB LYS 130 -4.546 -13.291 6.326 729 2HB LYS 130 3HB LYS 130 -3.270 -13.031 5.134 730 1HG LYS 130 2HG LYS 130 -3.674 -10.491 5.459 731 2HG LYS 130 3HG LYS 130 -4.680 -10.950 6.839 732 1HD LYS 130 2HD LYS 130 -2.625 -12.390 7.578 733 2HD LYS 130 3HD LYS 130 -1.716 -11.350 6.460 734 1HE LYS 130 2HE LYS 130 -2.671 -9.336 7.702 735 2HE LYS 130 3HE LYS 130 -3.457 -10.455 8.826 736 1HZ LYS 130 1HZ LYS 130 -1.425 -9.659 9.732 737 2HZ LYS 130 2HZ LYS 130 -1.274 -11.269 9.437 738 3HZ LYS 130 3HZ LYS 130 -0.554 -10.173 8.437 739 H HIS 131 H HID 131 -7.483 -12.519 3.055 740 HA HIS 131 HA HID 131 -9.200 -11.975 5.287 741 1HB HIS 131 2HB HID 131 -8.057 -9.682 4.331 742 2HB HIS 131 3HB HID 131 -9.411 -9.816 3.205 743 HD1 HIS 131 1HD HID 131 -11.795 -9.162 4.258 744 HD2 HIS 131 2HD HID 131 -8.565 -9.364 6.956 745 HE1 HIS 131 1HE HID 131 -12.588 -8.094 6.441 746 H ASP 132 H ASP 132 -11.423 -11.901 4.583 747 HA ASP 132 HA ASP 132 -13.210 -12.695 3.601 748 1HB ASP 132 2HB ASP 132 -12.211 -11.309 1.575 749 2HB ASP 132 3HB ASP 132 -11.931 -12.899 0.874 Start of MODEL 35 1 H SER 32 H SER 32 16.874 -2.449 15.189 2 HA SER 32 HA SER 32 18.471 -1.214 13.082 3 1HB SER 32 2HB SER 32 18.984 -3.430 13.910 4 2HB SER 32 3HB SER 32 17.415 -4.054 13.360 5 HG SER 32 HG SER 32 19.260 -4.358 11.901 6 H ASN 33 H ASN 33 15.388 -3.139 12.804 7 HA ASN 33 HA ASN 33 14.287 -1.168 10.936 8 1HB ASN 33 2HB ASN 33 15.742 -2.423 9.441 9 2HB ASN 33 3HB ASN 33 15.112 -3.962 10.042 10 1HD2 ASN 33 1HD2 ASN 33 12.687 -4.286 9.783 11 2HD2 ASN 33 2HD2 ASN 33 11.923 -3.587 8.353 12 H LEU 34 H LEU 34 12.310 -0.962 11.857 13 HA LEU 34 HA LEU 34 10.816 -3.296 12.876 14 1HB LEU 34 2HB LEU 34 10.418 -0.298 12.810 15 2HB LEU 34 3HB LEU 34 9.016 -1.339 13.016 16 HG LEU 34 HG LEU 34 10.028 -0.473 15.133 17 1HD1 LEU 34 1HD1 LEU 34 9.715 -2.538 16.376 18 2HD1 LEU 34 2HD1 LEU 34 8.518 -2.429 15.075 19 3HD1 LEU 34 3HD1 LEU 34 9.915 -3.513 14.913 20 1HD2 LEU 34 1HD2 LEU 34 12.436 -0.748 14.523 21 2HD2 LEU 34 2HD2 LEU 34 12.010 -1.487 16.076 22 3HD2 LEU 34 3HD2 LEU 34 12.245 -2.513 14.655 23 H ASN 35 H ASN 35 8.773 -3.960 11.952 24 HA ASN 35 HA ASN 35 8.245 -3.205 9.155 25 1HB ASN 35 2HB ASN 35 10.307 -4.680 9.166 26 2HB ASN 35 3HB ASN 35 9.330 -5.973 9.855 27 1HD2 ASN 35 1HD2 ASN 35 10.519 -6.656 7.584 28 2HD2 ASN 35 2HD2 ASN 35 9.446 -6.548 6.202 29 H LEU 36 H LEU 36 6.178 -2.753 10.438 30 HA LEU 36 HA LEU 36 4.600 -5.243 10.950 31 1HB LEU 36 2HB LEU 36 3.497 -4.162 12.713 32 2HB LEU 36 3HB LEU 36 5.217 -3.931 12.974 33 HG LEU 36 HG LEU 36 4.231 -1.658 11.433 34 1HD1 LEU 36 1HD1 LEU 36 2.636 -2.232 13.966 35 2HD1 LEU 36 2HD1 LEU 36 2.576 -0.749 12.993 36 3HD1 LEU 36 3HD1 LEU 36 1.992 -2.275 12.313 37 1HD2 LEU 36 1HD2 LEU 36 5.142 -1.861 14.322 38 2HD2 LEU 36 2HD2 LEU 36 6.193 -1.633 12.903 39 3HD2 LEU 36 3HD2 LEU 36 5.017 -0.380 13.348 40 H PHE 37 H PHE 37 2.251 -4.963 10.796 41 HA PHE 37 HA PHE 37 1.463 -3.519 8.336 42 1HB PHE 37 2HB PHE 37 -0.037 -5.574 10.010 43 2HB PHE 37 3HB PHE 37 -0.528 -4.940 8.455 44 HD1 PHE 37 1HD PHE 37 0.906 -5.456 6.396 45 HD2 PHE 37 2HD PHE 37 1.228 -7.607 10.113 46 HE1 PHE 37 1HE PHE 37 1.774 -7.427 5.176 47 HE2 PHE 37 2HE PHE 37 2.021 -9.600 8.888 48 HZ PHE 37 HZ PHE 37 2.249 -9.535 6.405 49 H TYR 38 H TYR 38 1.010 -1.445 8.765 50 HA TYR 38 HA TYR 38 -0.720 -0.812 11.130 51 1HB TYR 38 2HB TYR 38 0.106 1.357 11.071 52 2HB TYR 38 3HB TYR 38 1.483 0.291 10.919 53 HD1 TYR 38 HD1 TYR 38 0.259 0.184 7.664 54 HD2 TYR 38 HD2 TYR 38 2.215 2.839 10.421 55 HE1 TYR 38 HE1 TYR 38 0.887 1.611 5.802 56 HE2 TYR 38 HE2 TYR 38 2.904 4.271 8.504 57 HH TYR 38 HH TYR 38 1.996 3.460 5.145 58 H THR 39 H THR 39 -1.924 1.610 10.261 59 HA THR 39 HA THR 39 -3.931 0.410 8.422 60 HB THR 39 HB THR 39 -5.426 2.103 9.235 61 HG1 THR 39 1HG THR 39 -3.187 3.187 10.612 62 1HG2 THR 39 1HG2 THR 39 -3.886 1.056 11.643 63 2HG2 THR 39 2HG2 THR 39 -5.577 1.584 11.579 64 3HG2 THR 39 3HG2 THR 39 -5.076 0.126 10.701 65 HA PRO 40 HA PRO 40 -2.730 3.355 5.276 66 1HB PRO 40 2HB PRO 40 -4.974 3.698 3.795 67 2HB PRO 40 3HB PRO 40 -3.949 2.242 3.793 68 1HG PRO 40 2HG PRO 40 -6.512 2.648 5.296 69 2HG PRO 40 3HG PRO 40 -6.034 1.243 4.349 70 1HD PRO 40 2HD PRO 40 -5.774 1.340 7.072 71 2HD PRO 40 3HD PRO 40 -4.599 0.475 6.040 72 H SER 41 H SER 41 -5.174 4.098 7.706 73 HA SER 41 HA SER 41 -5.298 6.949 7.197 74 1HB SER 41 2HB SER 41 -6.084 5.116 9.448 75 2HB SER 41 3HB SER 41 -5.816 6.821 9.825 76 HG SER 41 HG SER 41 -7.976 5.856 8.817 77 H GLU 42 H GLU 42 -2.822 4.919 8.700 78 HA GLU 42 HA GLU 42 -1.708 6.808 10.413 79 1HB GLU 42 2HB GLU 42 -0.818 4.284 9.188 80 2HB GLU 42 3HB GLU 42 0.477 5.446 9.101 81 1HG GLU 42 2HG GLU 42 0.896 4.540 11.159 82 2HG GLU 42 3HG GLU 42 -0.120 5.935 11.587 83 H ILE 43 H ILE 43 -0.855 6.215 7.065 84 HA ILE 43 HA ILE 43 0.789 8.620 6.787 85 HB ILE 43 HB ILE 43 1.234 7.857 4.529 86 1HG1 ILE 43 2HG1 ILE 43 -0.733 6.499 4.129 87 2HG1 ILE 43 3HG1 ILE 43 0.830 5.705 3.807 88 1HG2 ILE 43 1HG2 ILE 43 1.972 6.090 6.865 89 2HG2 ILE 43 2HG2 ILE 43 2.740 6.057 5.243 90 3HG2 ILE 43 3HG2 ILE 43 2.773 7.512 6.222 91 1HD1 ILE 43 1HD1 ILE 43 0.253 4.799 6.357 92 2HD1 ILE 43 2HD1 ILE 43 -1.332 4.934 5.642 93 3HD1 ILE 43 3HD1 ILE 43 -0.092 3.921 4.861 94 H VAL 44 H VAL 44 -1.903 9.065 7.405 95 HA VAL 44 HA VAL 44 -2.110 11.207 5.352 96 HB VAL 44 HB VAL 44 -4.316 9.543 6.540 97 1HG1 VAL 44 1HG1 VAL 44 -5.975 11.295 5.980 98 2HG1 VAL 44 2HG1 VAL 44 -4.958 11.772 7.341 99 3HG1 VAL 44 3HG1 VAL 44 -4.660 12.462 5.725 100 1HG2 VAL 44 1HG2 VAL 44 -5.181 9.857 4.214 101 2HG2 VAL 44 2HG2 VAL 44 -3.775 10.847 3.835 102 3HG2 VAL 44 3HG2 VAL 44 -3.569 9.131 4.252 103 H ASN 45 H ASN 45 -2.290 10.285 8.831 104 HA ASN 45 HA ASN 45 -2.981 12.989 9.571 105 1HB ASN 45 2HB ASN 45 -2.258 10.498 11.162 106 2HB ASN 45 3HB ASN 45 -2.667 12.058 11.887 107 1HD2 ASN 45 1HD2 ASN 45 -4.058 9.415 9.772 108 2HD2 ASN 45 2HD2 ASN 45 -5.694 9.898 10.146 109 H GLY 46 H GLY 46 0.044 11.050 9.866 110 1HA GLY 46 1HA GLY 46 1.713 13.424 10.033 111 2HA GLY 46 2HA GLY 46 1.386 12.752 11.640 112 H LYS 47 H LYS 47 2.091 11.489 8.389 113 HA LYS 47 HA LYS 47 4.495 10.202 9.052 114 1HB LYS 47 2HB LYS 47 1.983 8.563 8.623 115 2HB LYS 47 3HB LYS 47 3.554 7.903 8.184 116 1HG LYS 47 2HG LYS 47 4.022 7.301 10.204 117 2HG LYS 47 3HG LYS 47 3.869 8.936 10.802 118 1HD LYS 47 2HD LYS 47 1.287 8.459 10.876 119 2HD LYS 47 3HD LYS 47 1.781 6.772 10.601 120 1HE LYS 47 2HE LYS 47 3.458 7.275 12.579 121 2HE LYS 47 3HE LYS 47 2.380 8.612 12.959 122 1HZ LYS 47 1HZ LYS 47 1.557 5.761 12.860 123 2HZ LYS 47 2HZ LYS 47 1.832 6.624 14.223 124 3HZ LYS 47 3HZ LYS 47 0.581 7.010 13.239 125 H THR 48 H THR 48 4.477 8.617 6.596 126 HA THR 48 HA THR 48 5.764 9.953 4.918 127 HB THR 48 HB THR 48 3.581 8.121 3.910 128 HG1 THR 48 1HG THR 48 4.996 6.478 4.681 129 1HG2 THR 48 1HG2 THR 48 5.273 9.144 2.291 130 2HG2 THR 48 2HG2 THR 48 6.522 8.224 3.144 131 3HG2 THR 48 3HG2 THR 48 5.174 7.388 2.319 132 H ASP 49 H ASP 49 2.146 10.170 4.575 133 HA ASP 49 HA ASP 49 1.890 11.654 2.274 134 1HB ASP 49 2HB ASP 49 -0.082 11.135 3.357 135 2HB ASP 49 3HB ASP 49 0.448 11.765 4.939 136 H THR 50 H THR 50 2.563 12.927 5.541 137 HA THR 50 HA THR 50 3.350 15.565 4.396 138 HB THR 50 HB THR 50 3.043 14.864 7.317 139 HG1 THR 50 1HG THR 50 1.018 14.896 5.512 140 1HG2 THR 50 1HG2 THR 50 4.094 17.081 6.689 141 2HG2 THR 50 2HG2 THR 50 2.636 17.462 5.757 142 3HG2 THR 50 3HG2 THR 50 2.535 17.268 7.517 143 H GLY 51 H GLY 51 4.612 12.646 5.824 144 1HA GLY 51 1HA GLY 51 6.746 11.866 6.054 145 2HA GLY 51 2HA GLY 51 7.282 13.233 5.068 146 H VAL 52 H VAL 52 5.628 13.320 8.237 147 HA VAL 52 HA VAL 52 7.687 15.216 9.153 148 HB VAL 52 HB VAL 52 6.223 15.579 11.077 149 1HG1 VAL 52 1HG1 VAL 52 4.857 15.657 8.369 150 2HG1 VAL 52 2HG1 VAL 52 4.392 16.624 9.783 151 3HG1 VAL 52 3HG1 VAL 52 5.968 16.877 9.006 152 1HG2 VAL 52 1HG2 VAL 52 4.333 13.574 9.759 153 2HG2 VAL 52 2HG2 VAL 52 5.202 13.317 11.285 154 3HG2 VAL 52 3HG2 VAL 52 3.980 14.591 11.163 155 H LYS 53 H LYS 53 6.813 11.931 9.901 156 HA LYS 53 HA LYS 53 9.107 11.733 11.808 157 1HB LYS 53 2HB LYS 53 6.340 10.544 11.904 158 2HB LYS 53 3HB LYS 53 7.695 9.758 12.744 159 1HG LYS 53 2HG LYS 53 7.921 11.451 14.264 160 2HG LYS 53 3HG LYS 53 7.542 12.700 13.082 161 1HD LYS 53 2HD LYS 53 5.090 12.018 13.225 162 2HD LYS 53 3HD LYS 53 5.547 10.926 14.533 163 1HE LYS 53 2HE LYS 53 4.713 13.034 15.445 164 2HE LYS 53 3HE LYS 53 6.426 12.818 15.852 165 1HZ LYS 53 1HZ LYS 53 6.976 14.365 14.097 166 2HZ LYS 53 2HZ LYS 53 5.393 14.533 13.683 167 3HZ LYS 53 3HZ LYS 53 5.927 15.057 15.146 168 HA PRO 54 HA PRO 54 9.851 7.994 9.195 169 1HB PRO 54 2HB PRO 54 8.126 6.881 7.432 170 2HB PRO 54 3HB PRO 54 7.895 6.645 9.196 171 1HG PRO 54 2HG PRO 54 6.538 8.621 7.365 172 2HG PRO 54 3HG PRO 54 5.791 7.557 8.591 173 1HD PRO 54 2HD PRO 54 6.569 10.232 8.948 174 2HD PRO 54 3HD PRO 54 6.344 9.057 10.305 175 H GLU 55 H GLU 55 11.063 8.110 7.305 176 HA GLU 55 HA GLU 55 10.380 10.146 5.229 177 1HB GLU 55 2HB GLU 55 13.035 8.900 6.081 178 2HB GLU 55 3HB GLU 55 12.830 10.016 4.727 179 1HG GLU 55 2HG GLU 55 12.133 11.812 6.207 180 2HG GLU 55 3HG GLU 55 12.067 10.731 7.604 181 H ALA 56 H ALA 56 10.815 9.387 2.996 182 HA ALA 56 HA ALA 56 9.965 6.666 2.544 183 1HB ALA 56 1HB ALA 56 9.388 8.274 0.879 184 2HB ALA 56 2HB ALA 56 11.083 8.758 0.638 185 3HB ALA 56 3HB ALA 56 10.518 7.152 0.135 186 H GLY 57 H GLY 57 11.304 4.969 1.482 187 1HA GLY 57 1HA GLY 57 13.374 3.995 0.984 188 2HA GLY 57 2HA GLY 57 14.229 5.141 2.013 189 H GLN 58 H GLN 58 11.505 4.136 3.728 190 HA GLN 58 HA GLN 58 13.103 2.181 5.325 191 1HB GLN 58 2HB GLN 58 10.552 3.728 5.903 192 2HB GLN 58 3HB GLN 58 11.294 2.554 6.998 193 1HG GLN 58 2HG GLN 58 13.319 3.929 7.183 194 2HG GLN 58 3HG GLN 58 12.655 5.119 6.046 195 1HE2 GLN 58 1HE2 GLN 58 10.512 6.098 6.617 196 2HE2 GLN 58 2HE2 GLN 58 10.078 6.217 8.331 197 H ARG 59 H ARG 59 11.915 0.248 6.068 198 HA ARG 59 HA ARG 59 9.883 -0.713 4.123 199 1HB ARG 59 2HB ARG 59 11.505 -2.181 6.262 200 2HB ARG 59 3HB ARG 59 10.145 -2.870 5.377 201 1HG ARG 59 2HG ARG 59 11.674 -1.949 3.289 202 2HG ARG 59 3HG ARG 59 12.931 -2.385 4.462 203 1HD ARG 59 2HD ARG 59 11.878 -4.656 4.683 204 2HD ARG 59 3HD ARG 59 10.611 -4.144 3.545 205 HE ARG 59 HE ARG 59 13.303 -3.887 2.491 206 1HH1 ARG 59 2HH2 ARG 59 10.473 -6.055 2.705 207 2HH1 ARG 59 1HH2 ARG 59 11.090 -7.226 1.604 208 1HH2 ARG 59 1HH1 ARG 59 14.051 -5.342 0.880 209 2HH2 ARG 59 2HH1 ARG 59 13.119 -6.744 0.459 210 H ILE 60 H ILE 60 7.835 -1.109 4.750 211 HA ILE 60 HA ILE 60 7.117 -1.449 7.532 212 HB ILE 60 HB ILE 60 5.340 0.178 7.622 213 1HG1 ILE 60 2HG1 ILE 60 6.249 1.137 4.870 214 2HG1 ILE 60 3HG1 ILE 60 4.748 0.293 5.250 215 1HG2 ILE 60 1HG2 ILE 60 7.849 1.739 6.897 216 2HG2 ILE 60 2HG2 ILE 60 6.533 2.237 7.970 217 3HG2 ILE 60 3HG2 ILE 60 7.573 0.905 8.446 218 1HD1 ILE 60 1HD1 ILE 60 4.179 2.091 6.865 219 2HD1 ILE 60 2HD1 ILE 60 5.437 3.101 6.143 220 3HD1 ILE 60 3HD1 ILE 60 4.107 2.493 5.142 221 H ARG 61 H ARG 61 4.471 -1.984 7.461 222 HA ARG 61 HA ARG 61 3.845 -2.946 4.745 223 1HB ARG 61 2HB ARG 61 2.860 -4.396 7.161 224 2HB ARG 61 3HB ARG 61 3.113 -4.986 5.513 225 1HG ARG 61 2HG ARG 61 5.586 -4.790 6.058 226 2HG ARG 61 3HG ARG 61 5.151 -4.451 7.721 227 1HD ARG 61 2HD ARG 61 3.954 -6.572 7.933 228 2HD ARG 61 3HD ARG 61 4.338 -6.983 6.240 229 HE ARG 61 HE ARG 61 6.699 -6.304 7.682 230 1HH1 ARG 61 2HH2 ARG 61 4.328 -8.865 7.547 231 2HH1 ARG 61 1HH2 ARG 61 5.448 -10.187 7.750 232 1HH2 ARG 61 1HH1 ARG 61 8.266 -7.993 7.929 233 2HH2 ARG 61 2HH1 ARG 61 7.767 -9.651 8.054 234 H VAL 62 H VAL 62 1.741 -2.642 4.133 235 HA VAL 62 HA VAL 62 0.076 -0.859 5.865 236 HB VAL 62 HB VAL 62 0.996 0.326 3.956 237 1HG1 VAL 62 1HG1 VAL 62 1.222 -1.529 2.340 238 2HG1 VAL 62 2HG1 VAL 62 -0.555 -1.547 2.145 239 3HG1 VAL 62 3HG1 VAL 62 0.383 -0.118 1.690 240 1HG2 VAL 62 1HG2 VAL 62 -1.089 1.272 3.138 241 2HG2 VAL 62 2HG2 VAL 62 -2.002 -0.155 3.657 242 3HG2 VAL 62 3HG2 VAL 62 -1.256 0.911 4.865 243 H GLY 63 H GLY 63 -1.832 -1.713 6.554 244 1HA GLY 63 1HA GLY 63 -2.908 -4.075 5.035 245 2HA GLY 63 2HA GLY 63 -2.901 -3.895 6.785 246 H GLY 64 H GLY 64 -4.709 -3.462 3.912 247 1HA GLY 64 1HA GLY 64 -6.860 -2.046 5.236 248 2HA GLY 64 2HA GLY 64 -5.937 -1.006 4.133 249 H MET 65 H MET 65 -8.229 -1.004 3.169 250 HA MET 65 HA MET 65 -8.684 -3.346 1.403 251 1HB MET 65 2HB MET 65 -11.021 -3.132 1.724 252 2HB MET 65 3HB MET 65 -10.257 -3.176 3.308 253 1HG MET 65 2HG MET 65 -10.337 -0.443 2.849 254 2HG MET 65 3HG MET 65 -11.710 -1.008 1.896 255 1HE MET 65 1HE MET 65 -10.231 -2.268 5.368 256 2HE MET 65 2HE MET 65 -10.071 -0.496 5.335 257 3HE MET 65 3HE MET 65 -11.207 -1.266 6.467 258 H VAL 66 H VAL 66 -9.152 -3.086 -0.664 259 HA VAL 66 HA VAL 66 -8.283 -0.628 -1.915 260 HB VAL 66 HB VAL 66 -9.633 -1.681 -3.958 261 1HG1 VAL 66 1HG1 VAL 66 -6.941 -2.258 -2.865 262 2HG1 VAL 66 2HG1 VAL 66 -7.493 -3.138 -4.316 263 3HG1 VAL 66 3HG1 VAL 66 -7.434 -1.365 -4.295 264 1HG2 VAL 66 1HG2 VAL 66 -9.632 -4.091 -3.945 265 2HG2 VAL 66 2HG2 VAL 66 -9.232 -4.144 -2.243 266 3HG2 VAL 66 3HG2 VAL 66 -10.773 -3.433 -2.747 267 H THR 67 H THR 67 -9.377 1.061 -2.799 268 HA THR 67 HA THR 67 -12.194 1.491 -2.164 269 HB THR 67 HB THR 67 -10.134 2.963 -3.845 270 HG1 THR 67 1HG THR 67 -10.367 4.495 -2.201 271 1HG2 THR 67 1HG2 THR 67 -13.099 3.486 -3.510 272 2HG2 THR 67 2HG2 THR 67 -11.942 4.829 -3.733 273 3HG2 THR 67 3HG2 THR 67 -12.088 3.596 -4.982 274 H VAL 68 H VAL 68 -12.499 -0.879 -3.060 275 HA VAL 68 HA VAL 68 -13.340 -2.199 -4.723 276 HB VAL 68 HB VAL 68 -14.835 -1.565 -2.993 277 1HG1 VAL 68 1HG1 VAL 68 -14.994 0.847 -3.316 278 2HG1 VAL 68 2HG1 VAL 68 -15.951 0.611 -4.790 279 3HG1 VAL 68 3HG1 VAL 68 -16.589 0.079 -3.226 280 1HG2 VAL 68 1HG2 VAL 68 -16.853 -2.375 -4.043 281 2HG2 VAL 68 2HG2 VAL 68 -16.318 -1.817 -5.640 282 3HG2 VAL 68 3HG2 VAL 68 -15.458 -3.140 -4.839 283 H GLY 69 H GLY 69 -11.947 -1.510 -6.259 284 1HA GLY 69 1HA GLY 69 -11.953 -1.689 -8.739 285 2HA GLY 69 2HA GLY 69 -13.300 -0.553 -8.787 286 H SER 70 H SER 70 -10.141 -0.537 -7.079 287 HA SER 70 HA SER 70 -9.403 2.007 -8.493 288 1HB SER 70 2HB SER 70 -8.788 1.148 -5.648 289 2HB SER 70 3HB SER 70 -8.009 2.500 -6.514 290 HG SER 70 HG SER 70 -10.763 2.139 -6.167 291 H MET 71 H MET 71 -8.823 -1.186 -8.786 292 HA MET 71 HA MET 71 -5.912 -1.209 -8.631 293 1HB MET 71 2HB MET 71 -7.250 -3.271 -8.279 294 2HB MET 71 3HB MET 71 -7.941 -3.117 -9.893 295 1HG MET 71 2HG MET 71 -6.112 -4.765 -9.856 296 2HG MET 71 3HG MET 71 -5.761 -3.423 -10.938 297 1HE MET 71 1HE MET 71 -3.783 -4.191 -6.866 298 2HE MET 71 2HE MET 71 -5.425 -3.532 -6.983 299 3HE MET 71 3HE MET 71 -5.074 -5.133 -7.648 300 H VAL 72 H VAL 72 -4.579 -0.407 -10.250 301 HA VAL 72 HA VAL 72 -5.579 -0.662 -13.035 302 HB VAL 72 HB VAL 72 -4.676 1.461 -13.725 303 1HG1 VAL 72 1HG1 VAL 72 -7.058 1.353 -12.995 304 2HG1 VAL 72 2HG1 VAL 72 -6.570 1.901 -11.376 305 3HG1 VAL 72 3HG1 VAL 72 -6.339 2.957 -12.778 306 1HG2 VAL 72 1HG2 VAL 72 -2.895 1.812 -12.136 307 2HG2 VAL 72 2HG2 VAL 72 -3.997 3.193 -12.084 308 3HG2 VAL 72 3HG2 VAL 72 -4.066 1.975 -10.793 309 H ARG 73 H ARG 73 -3.903 -1.031 -14.583 310 HA ARG 73 HA ARG 73 -1.336 -1.865 -13.432 311 1HB ARG 73 2HB ARG 73 -1.572 -4.143 -14.348 312 2HB ARG 73 3HB ARG 73 -2.846 -3.776 -13.187 313 1HG ARG 73 2HG ARG 73 -3.981 -4.914 -14.774 314 2HG ARG 73 3HG ARG 73 -4.281 -3.279 -15.356 315 1HD ARG 73 2HD ARG 73 -1.780 -4.511 -16.451 316 2HD ARG 73 3HD ARG 73 -3.177 -5.483 -16.786 317 HE ARG 73 HE ARG 73 -2.675 -2.630 -17.542 318 1HH1 ARG 73 2HH2 ARG 73 -4.938 -5.302 -17.732 319 2HH1 ARG 73 1HH2 ARG 73 -5.637 -4.849 -19.254 320 1HH2 ARG 73 1HH1 ARG 73 -3.473 -2.032 -19.626 321 2HH2 ARG 73 2HH1 ARG 73 -4.803 -2.891 -20.341 322 H ASP 74 H ASP 74 0.438 -1.842 -14.944 323 HA ASP 74 HA ASP 74 -0.097 -0.246 -17.301 324 1HB ASP 74 2HB ASP 74 2.332 -1.587 -16.071 325 2HB ASP 74 3HB ASP 74 2.392 -0.923 -17.700 326 HA PRO 75 HA PRO 75 -0.338 -3.720 -20.202 327 1HB PRO 75 2HB PRO 75 0.785 -2.637 -22.475 328 2HB PRO 75 3HB PRO 75 -0.832 -2.139 -21.897 329 1HG PRO 75 2HG PRO 75 1.821 -0.757 -21.382 330 2HG PRO 75 3HG PRO 75 0.302 -0.018 -21.962 331 1HD PRO 75 2HD PRO 75 1.015 0.066 -19.345 332 2HD PRO 75 3HD PRO 75 -0.693 -0.175 -19.807 333 H ASN 76 H ASN 76 2.623 -2.063 -19.403 334 HA ASN 76 HA ASN 76 4.560 -3.923 -20.190 335 1HB ASN 76 2HB ASN 76 4.357 -2.495 -17.496 336 2HB ASN 76 3HB ASN 76 5.806 -3.196 -18.235 337 1HD2 ASN 76 1HD2 ASN 76 4.266 -0.150 -17.779 338 2HD2 ASN 76 2HD2 ASN 76 5.048 0.595 -19.128 339 H SER 77 H SER 77 1.966 -4.250 -17.782 340 HA SER 77 HA SER 77 1.204 -5.957 -16.585 341 1HB SER 77 2HB SER 77 2.787 -7.750 -18.475 342 2HB SER 77 3HB SER 77 1.395 -8.197 -17.485 343 HG SER 77 HG SER 77 1.415 -6.265 -19.590 344 H LEU 78 H LEU 78 3.592 -4.704 -15.802 345 HA LEU 78 HA LEU 78 4.606 -6.597 -13.753 346 1HB LEU 78 2HB LEU 78 6.755 -5.294 -13.778 347 2HB LEU 78 3HB LEU 78 6.457 -6.593 -14.909 348 HG LEU 78 HG LEU 78 5.555 -4.234 -16.259 349 1HD1 LEU 78 1HD1 LEU 78 8.265 -3.778 -15.023 350 2HD1 LEU 78 2HD1 LEU 78 7.395 -2.745 -16.195 351 3HD1 LEU 78 3HD1 LEU 78 6.751 -2.978 -14.552 352 1HD2 LEU 78 1HD2 LEU 78 8.109 -5.840 -16.547 353 2HD2 LEU 78 2HD2 LEU 78 6.508 -6.306 -17.167 354 3HD2 LEU 78 3HD2 LEU 78 7.314 -4.861 -17.811 355 H HIS 79 H HID 79 4.023 -3.126 -14.697 356 HA HIS 79 HA HID 79 4.223 -2.311 -11.908 357 1HB HIS 79 2HB HID 79 3.631 -0.795 -14.453 358 2HB HIS 79 3HB HID 79 3.640 -0.076 -12.847 359 HD1 HIS 79 1HD HID 79 6.257 -0.907 -11.569 360 HD2 HIS 79 2HD HID 79 5.799 -0.125 -15.683 361 HE1 HIS 79 1HE HID 79 8.576 -0.338 -12.468 362 H VAL 80 H VAL 80 2.530 -2.158 -10.581 363 HA VAL 80 HA VAL 80 -0.132 -1.727 -11.714 364 HB VAL 80 HB VAL 80 -1.201 -3.435 -10.312 365 1HG1 VAL 80 1HG1 VAL 80 -0.412 -3.850 -12.697 366 2HG1 VAL 80 2HG1 VAL 80 0.824 -4.897 -12.022 367 3HG1 VAL 80 3HG1 VAL 80 -0.894 -5.273 -11.750 368 1HG2 VAL 80 1HG2 VAL 80 1.585 -4.510 -9.759 369 2HG2 VAL 80 2HG2 VAL 80 0.410 -3.880 -8.553 370 3HG2 VAL 80 3HG2 VAL 80 0.071 -5.365 -9.451 371 H GLN 81 H GLN 81 -1.532 -0.654 -10.261 372 HA GLN 81 HA GLN 81 -0.448 -0.142 -7.567 373 1HB GLN 81 2HB GLN 81 -0.700 2.346 -7.820 374 2HB GLN 81 3HB GLN 81 0.701 1.650 -8.648 375 1HG GLN 81 2HG GLN 81 -0.141 1.997 -10.762 376 2HG GLN 81 3HG GLN 81 -1.816 1.876 -10.218 377 1HE2 GLN 81 1HE2 GLN 81 -2.983 3.719 -9.804 378 2HE2 GLN 81 2HE2 GLN 81 -2.265 5.318 -9.800 379 H PHE 82 H PHE 82 -1.960 0.866 -6.142 380 HA PHE 82 HA PHE 82 -4.829 0.823 -6.955 381 1HB PHE 82 2HB PHE 82 -5.310 -1.034 -5.422 382 2HB PHE 82 3HB PHE 82 -4.353 -1.476 -6.812 383 HD1 PHE 82 1HD PHE 82 -2.069 -2.345 -6.613 384 HD2 PHE 82 2HD PHE 82 -4.147 -0.913 -3.138 385 HE1 PHE 82 1HE PHE 82 -0.663 -3.781 -5.183 386 HE2 PHE 82 2HE PHE 82 -2.734 -2.371 -1.692 387 HZ PHE 82 HZ PHE 82 -1.149 -3.972 -2.727 388 H ALA 83 H ALA 83 -6.034 2.080 -5.744 389 HA ALA 83 HA ALA 83 -4.829 3.412 -3.419 390 1HB ALA 83 1HB ALA 83 -7.377 3.962 -4.975 391 2HB ALA 83 2HB ALA 83 -6.967 4.766 -3.457 392 3HB ALA 83 3HB ALA 83 -5.907 4.953 -4.863 393 H VAL 84 H VAL 84 -5.337 3.002 -1.392 394 HA VAL 84 HA VAL 84 -7.459 1.023 -0.727 395 HB VAL 84 HB VAL 84 -4.521 1.145 -0.074 396 1HG1 VAL 84 1HG1 VAL 84 -5.345 1.356 2.151 397 2HG1 VAL 84 2HG1 VAL 84 -6.596 0.126 1.888 398 3HG1 VAL 84 3HG1 VAL 84 -4.876 -0.332 1.917 399 1HG2 VAL 84 1HG2 VAL 84 -5.685 -0.493 -1.674 400 2HG2 VAL 84 2HG2 VAL 84 -4.615 -1.205 -0.440 401 3HG2 VAL 84 3HG2 VAL 84 -6.374 -1.257 -0.237 402 H HIS 85 H HID 85 -8.798 1.653 0.879 403 HA HIS 85 HA HID 85 -8.257 4.308 2.137 404 1HB HIS 85 2HB HID 85 -10.497 4.839 2.178 405 2HB HIS 85 3HB HID 85 -10.194 4.246 0.550 406 HD1 HIS 85 1HD HID 85 -12.543 3.780 3.374 407 HD2 HIS 85 2HD HID 85 -10.920 1.476 0.259 408 HE1 HIS 85 1HE HID 85 -14.118 1.801 3.045 409 H ASP 86 H ASP 86 -9.591 4.547 4.243 410 HA ASP 86 HA ASP 86 -8.889 2.187 5.923 411 1HB ASP 86 2HB ASP 86 -7.458 4.250 6.228 412 2HB ASP 86 3HB ASP 86 -8.864 5.196 6.601 413 H SER 87 H SER 87 -10.741 5.145 6.308 414 HA SER 87 HA SER 87 -13.321 3.936 6.788 415 1HB SER 87 2HB SER 87 -12.247 3.195 8.839 416 2HB SER 87 3HB SER 87 -11.561 4.794 9.140 417 HG SER 87 HG SER 87 -13.508 4.375 10.331 418 H LEU 88 H LEU 88 -11.250 6.714 7.888 419 HA LEU 88 HA LEU 88 -13.380 8.524 6.951 420 1HB LEU 88 2HB LEU 88 -10.818 9.184 8.487 421 2HB LEU 88 3HB LEU 88 -12.096 10.308 8.030 422 HG LEU 88 HG LEU 88 -12.476 9.938 10.241 423 1HD1 LEU 88 1HD1 LEU 88 -14.278 7.808 9.024 424 2HD1 LEU 88 2HD1 LEU 88 -14.559 8.745 10.499 425 3HD1 LEU 88 3HD1 LEU 88 -14.558 9.564 8.926 426 1HD2 LEU 88 1HD2 LEU 88 -10.863 8.098 10.565 427 2HD2 LEU 88 2HD2 LEU 88 -12.371 7.868 11.461 428 3HD2 LEU 88 3HD2 LEU 88 -12.079 6.942 9.983 429 H GLY 89 H GLY 89 -9.962 9.412 6.716 430 1HA GLY 89 1HA GLY 89 -10.377 9.856 3.772 431 2HA GLY 89 2HA GLY 89 -9.605 10.999 4.876 432 H GLY 90 H GLY 90 -8.918 7.698 5.613 433 1HA GLY 90 1HA GLY 90 -6.101 8.004 5.045 434 2HA GLY 90 2HA GLY 90 -6.951 6.590 5.666 435 H GLU 91 H GLU 91 -7.163 8.405 2.542 436 HA GLU 91 HA GLU 91 -7.137 5.817 1.118 437 1HB GLU 91 2HB GLU 91 -8.836 7.556 0.491 438 2HB GLU 91 3HB GLU 91 -7.504 8.519 -0.180 439 1HG GLU 91 2HG GLU 91 -6.897 6.687 -1.695 440 2HG GLU 91 3HG GLU 91 -8.030 5.585 -0.894 441 H ILE 92 H ILE 92 -5.151 5.011 0.918 442 HA ILE 92 HA ILE 92 -2.942 6.863 0.152 443 HB ILE 92 HB ILE 92 -2.768 5.664 2.407 444 1HG1 ILE 92 2HG1 ILE 92 -0.423 5.122 2.154 445 2HG1 ILE 92 3HG1 ILE 92 -0.510 5.168 0.403 446 1HG2 ILE 92 1HG2 ILE 92 -3.651 3.453 1.601 447 2HG2 ILE 92 2HG2 ILE 92 -2.142 3.221 0.695 448 3HG2 ILE 92 3HG2 ILE 92 -2.105 3.356 2.459 449 1HD1 ILE 92 1HD1 ILE 92 -1.267 7.562 2.134 450 2HD1 ILE 92 2HD1 ILE 92 0.396 7.247 1.582 451 3HD1 ILE 92 3HD1 ILE 92 -0.880 7.540 0.396 452 H LEU 93 H LEU 93 -1.358 5.910 -1.356 453 HA LEU 93 HA LEU 93 -2.709 4.095 -3.311 454 1HB LEU 93 2HB LEU 93 -1.196 6.656 -3.613 455 2HB LEU 93 3HB LEU 93 -0.841 5.397 -4.803 456 HG LEU 93 HG LEU 93 -3.708 6.160 -4.172 457 1HD1 LEU 93 1HD1 LEU 93 -1.865 7.485 -6.210 458 2HD1 LEU 93 2HD1 LEU 93 -3.623 7.720 -6.093 459 3HD1 LEU 93 3HD1 LEU 93 -2.573 8.254 -4.770 460 1HD2 LEU 93 1HD2 LEU 93 -3.213 4.075 -5.517 461 2HD2 LEU 93 2HD2 LEU 93 -4.077 5.300 -6.459 462 3HD2 LEU 93 3HD2 LEU 93 -2.332 5.072 -6.684 463 H VAL 94 H VAL 94 -1.836 2.159 -3.251 464 HA VAL 94 HA VAL 94 1.007 1.839 -2.367 465 HB VAL 94 HB VAL 94 -1.128 -0.242 -2.886 466 1HG1 VAL 94 1HG1 VAL 94 1.625 -0.397 -1.574 467 2HG1 VAL 94 2HG1 VAL 94 0.438 -1.719 -1.602 468 3HG1 VAL 94 3HG1 VAL 94 1.145 -1.139 -3.115 469 1HG2 VAL 94 1HG2 VAL 94 -0.187 1.030 -0.284 470 2HG2 VAL 94 2HG2 VAL 94 -1.828 1.091 -0.962 471 3HG2 VAL 94 3HG2 VAL 94 -1.181 -0.442 -0.371 472 H THR 95 H THR 95 2.559 1.144 -3.871 473 HA THR 95 HA THR 95 1.640 0.846 -6.683 474 HB THR 95 HB THR 95 3.752 1.909 -7.353 475 HG1 THR 95 1HG THR 95 4.122 2.175 -4.557 476 1HG2 THR 95 1HG2 THR 95 1.759 3.365 -7.087 477 2HG2 THR 95 2HG2 THR 95 2.209 3.680 -5.397 478 3HG2 THR 95 3HG2 THR 95 3.266 4.223 -6.710 479 H TYR 96 H TYR 96 2.824 -0.664 -7.906 480 HA TYR 96 HA TYR 96 4.656 -2.528 -6.497 481 1HB TYR 96 2HB TYR 96 1.814 -2.858 -7.232 482 2HB TYR 96 3HB TYR 96 2.848 -3.982 -8.111 483 HD1 TYR 96 HD1 TYR 96 3.933 -5.803 -7.086 484 HD2 TYR 96 HD2 TYR 96 1.723 -2.947 -4.734 485 HE1 TYR 96 HE1 TYR 96 3.618 -7.500 -5.340 486 HE2 TYR 96 HE2 TYR 96 1.637 -4.584 -2.858 487 HH TYR 96 HH TYR 96 3.275 -7.752 -3.127 488 H ASP 97 H ASP 97 6.201 -3.366 -7.918 489 HA ASP 97 HA ASP 97 5.886 -2.879 -10.814 490 1HB ASP 97 2HB ASP 97 8.338 -2.529 -10.762 491 2HB ASP 97 3HB ASP 97 7.440 -1.329 -9.818 492 H ASP 98 H ASP 98 5.564 -5.365 -8.806 493 HA ASP 98 HA ASP 98 6.648 -7.290 -10.812 494 1HB ASP 98 2HB ASP 98 7.086 -7.281 -7.789 495 2HB ASP 98 3HB ASP 98 7.087 -8.795 -8.698 496 H LEU 99 H LEU 99 4.155 -6.523 -11.139 497 HA LEU 99 HA LEU 99 1.988 -7.146 -11.174 498 1HB LEU 99 2HB LEU 99 3.189 -9.918 -10.825 499 2HB LEU 99 3HB LEU 99 1.581 -9.519 -11.474 500 HG LEU 99 HG LEU 99 2.871 -8.137 -13.233 501 1HD1 LEU 99 1HD1 LEU 99 4.952 -9.332 -13.974 502 2HD1 LEU 99 2HD1 LEU 99 5.199 -8.548 -12.418 503 3HD1 LEU 99 3HD1 LEU 99 4.915 -10.297 -12.485 504 1HD2 LEU 99 1HD2 LEU 99 1.366 -9.998 -13.718 505 2HD2 LEU 99 2HD2 LEU 99 2.834 -10.191 -14.686 506 3HD2 LEU 99 3HD2 LEU 99 2.607 -11.174 -13.228 507 H LEU 100 H LEU 100 0.995 -9.685 -9.625 508 HA LEU 100 HA LEU 100 1.250 -9.095 -6.848 509 1HB LEU 100 2HB LEU 100 -1.228 -8.464 -8.534 510 2HB LEU 100 3HB LEU 100 -1.471 -8.991 -6.876 511 HG LEU 100 HG LEU 100 0.188 -6.539 -7.560 512 1HD1 LEU 100 1HD1 LEU 100 -2.101 -6.279 -8.436 513 2HD1 LEU 100 2HD1 LEU 100 -2.737 -6.654 -6.819 514 3HD1 LEU 100 3HD1 LEU 100 -1.737 -5.204 -7.075 515 1HD2 LEU 100 1HD2 LEU 100 -0.141 -5.968 -5.249 516 2HD2 LEU 100 2HD2 LEU 100 -1.224 -7.351 -5.011 517 3HD2 LEU 100 3HD2 LEU 100 0.516 -7.606 -5.316 518 HA PRO 101 HA PRO 101 0.123 -13.472 -7.281 519 1HB PRO 101 2HB PRO 101 -0.985 -14.148 -4.871 520 2HB PRO 101 3HB PRO 101 0.728 -13.713 -5.071 521 1HG PRO 101 2HG PRO 101 -1.502 -11.893 -4.124 522 2HG PRO 101 3HG PRO 101 0.100 -12.148 -3.405 523 1HD PRO 101 2HD PRO 101 -0.469 -10.065 -5.119 524 2HD PRO 101 3HD PRO 101 1.149 -10.826 -5.067 525 H ASP 102 H ASP 102 -2.736 -12.991 -5.228 526 HA ASP 102 HA ASP 102 -4.557 -13.917 -7.087 527 1HB ASP 102 2HB ASP 102 -5.003 -12.153 -4.634 528 2HB ASP 102 3HB ASP 102 -6.203 -13.221 -5.373 529 H LEU 103 H LEU 103 -3.143 -11.446 -8.138 530 HA LEU 103 HA LEU 103 -3.268 -9.411 -8.875 531 1HB LEU 103 2HB LEU 103 -4.674 -9.029 -10.577 532 2HB LEU 103 3HB LEU 103 -4.714 -10.775 -10.444 533 HG LEU 103 HG LEU 103 -6.889 -9.719 -8.824 534 1HD1 LEU 103 1HD1 LEU 103 -6.622 -7.640 -10.139 535 2HD1 LEU 103 2HD1 LEU 103 -6.795 -8.575 -11.638 536 3HD1 LEU 103 3HD1 LEU 103 -8.149 -8.462 -10.492 537 1HD2 LEU 103 1HD2 LEU 103 -8.279 -10.956 -10.417 538 2HD2 LEU 103 2HD2 LEU 103 -6.906 -11.104 -11.535 539 3HD2 LEU 103 3HD2 LEU 103 -6.859 -11.917 -9.955 540 H PHE 104 H PHE 104 -4.787 -9.905 -6.079 541 HA PHE 104 HA PHE 104 -5.971 -8.823 -4.572 542 1HB PHE 104 2HB PHE 104 -4.077 -7.248 -4.642 543 2HB PHE 104 3HB PHE 104 -4.945 -6.277 -5.824 544 HD1 PHE 104 1HD PHE 104 -4.149 -4.590 -3.981 545 HD2 PHE 104 2HD PHE 104 -7.346 -7.441 -3.393 546 HE1 PHE 104 1HE PHE 104 -4.948 -3.347 -1.981 547 HE2 PHE 104 2HE PHE 104 -8.103 -6.175 -1.434 548 HZ PHE 104 HZ PHE 104 -6.944 -4.102 -0.749 549 H ARG 105 H ARG 105 -7.932 -9.610 -5.336 550 HA ARG 105 HA ARG 105 -9.422 -8.388 -7.463 551 1HB ARG 105 2HB ARG 105 -10.370 -10.136 -5.157 552 2HB ARG 105 3HB ARG 105 -11.257 -9.845 -6.645 553 1HG ARG 105 2HG ARG 105 -10.141 -11.380 -7.812 554 2HG ARG 105 3HG ARG 105 -8.570 -10.840 -7.256 555 1HD ARG 105 2HD ARG 105 -8.364 -12.605 -5.861 556 2HD ARG 105 3HD ARG 105 -9.835 -12.190 -5.014 557 HE ARG 105 HE ARG 105 -10.924 -13.867 -6.035 558 1HH1 ARG 105 2HH2 ARG 105 -8.111 -13.032 -7.973 559 2HH1 ARG 105 1HH2 ARG 105 -8.335 -14.279 -9.165 560 1HH2 ARG 105 1HH1 ARG 105 -11.271 -15.560 -7.569 561 2HH2 ARG 105 2HH1 ARG 105 -10.197 -15.770 -8.913 562 H GLU 106 H GLU 106 -11.220 -7.045 -7.339 563 HA GLU 106 HA GLU 106 -10.861 -5.048 -5.378 564 1HB GLU 106 2HB GLU 106 -12.942 -4.948 -7.552 565 2HB GLU 106 3HB GLU 106 -12.078 -3.658 -6.752 566 1HG GLU 106 2HG GLU 106 -10.849 -3.714 -8.685 567 2HG GLU 106 3HG GLU 106 -9.902 -4.875 -7.763 568 H GLY 107 H GLY 107 -11.739 -5.190 -3.421 569 1HA GLY 107 1HA GLY 107 -13.848 -4.386 -2.333 570 2HA GLY 107 2HA GLY 107 -14.686 -5.735 -3.109 571 H GLN 108 H GLN 108 -11.493 -5.504 -1.405 572 HA GLN 108 HA GLN 108 -12.349 -6.956 0.905 573 1HB GLN 108 2HB GLN 108 -10.596 -8.781 0.517 574 2HB GLN 108 3HB GLN 108 -12.097 -8.966 -0.391 575 1HG GLN 108 2HG GLN 108 -11.178 -8.407 -2.418 576 2HG GLN 108 3HG GLN 108 -9.890 -7.417 -1.725 577 1HE2 GLN 108 1HE2 GLN 108 -9.121 -8.837 -3.662 578 2HE2 GLN 108 2HE2 GLN 108 -8.142 -10.226 -3.113 579 H GLY 109 H GLY 109 -10.063 -7.425 2.109 580 1HA GLY 109 1HA GLY 109 -8.144 -5.296 1.401 581 2HA GLY 109 2HA GLY 109 -8.721 -5.396 3.091 582 H ILE 110 H ILE 110 -6.060 -5.567 1.921 583 HA ILE 110 HA ILE 110 -5.209 -8.332 2.559 584 HB ILE 110 HB ILE 110 -3.759 -8.367 0.532 585 1HG1 ILE 110 2HG1 ILE 110 -4.804 -6.787 -1.330 586 2HG1 ILE 110 3HG1 ILE 110 -5.001 -5.689 0.057 587 1HG2 ILE 110 1HG2 ILE 110 -6.685 -7.983 -0.247 588 2HG2 ILE 110 2HG2 ILE 110 -5.486 -9.050 -0.997 589 3HG2 ILE 110 3HG2 ILE 110 -6.118 -9.407 0.621 590 1HD1 ILE 110 1HD1 ILE 110 -2.976 -5.234 -1.096 591 2HD1 ILE 110 2HD1 ILE 110 -2.544 -5.954 0.473 592 3HD1 ILE 110 3HD1 ILE 110 -2.486 -6.945 -1.021 593 H VAL 111 H VAL 111 -2.753 -8.312 2.812 594 HA VAL 111 HA VAL 111 -1.968 -5.674 3.990 595 HB VAL 111 HB VAL 111 -0.847 -6.800 5.720 596 1HG1 VAL 111 1HG1 VAL 111 -3.766 -7.545 5.563 597 2HG1 VAL 111 2HG1 VAL 111 -2.770 -7.647 7.028 598 3HG1 VAL 111 3HG1 VAL 111 -3.045 -6.091 6.245 599 1HG2 VAL 111 1HG2 VAL 111 -0.294 -8.957 4.696 600 2HG2 VAL 111 2HG2 VAL 111 -1.139 -9.197 6.224 601 3HG2 VAL 111 3HG2 VAL 111 -2.011 -9.403 4.692 602 H ALA 112 H ALA 112 -0.247 -4.788 3.186 603 HA ALA 112 HA ALA 112 1.324 -6.337 1.167 604 1HB ALA 112 1HB ALA 112 0.601 -3.377 1.142 605 2HB ALA 112 2HB ALA 112 1.305 -4.318 -0.179 606 3HB ALA 112 3HB ALA 112 -0.378 -4.589 0.326 607 H GLN 113 H GLN 113 3.568 -6.042 1.117 608 HA GLN 113 HA GLN 113 4.765 -4.133 3.055 609 1HB GLN 113 2HB GLN 113 4.547 -6.377 4.068 610 2HB GLN 113 3HB GLN 113 5.382 -7.100 2.719 611 1HG GLN 113 2HG GLN 113 6.795 -4.873 4.231 612 2HG GLN 113 3HG GLN 113 6.583 -6.438 5.041 613 1HE2 GLN 113 1HE2 GLN 113 6.999 -8.391 3.385 614 2HE2 GLN 113 2HE2 GLN 113 8.545 -8.272 2.610 615 H GLY 114 H GLY 114 6.745 -3.313 2.489 616 1HA GLY 114 1HA GLY 114 8.626 -4.417 0.862 617 2HA GLY 114 2HA GLY 114 7.712 -3.412 -0.260 618 H VAL 115 H VAL 115 8.404 -1.275 -0.343 619 HA VAL 115 HA VAL 115 9.600 -0.084 2.055 620 HB VAL 115 HB VAL 115 11.474 -1.287 1.073 621 1HG1 VAL 115 1HG1 VAL 115 10.920 0.157 -1.550 622 2HG1 VAL 115 2HG1 VAL 115 12.295 -0.907 -1.207 623 3HG1 VAL 115 3HG1 VAL 115 10.661 -1.575 -1.245 624 1HG2 VAL 115 1HG2 VAL 115 13.094 0.467 0.573 625 2HG2 VAL 115 2HG2 VAL 115 11.793 1.654 0.415 626 3HG2 VAL 115 3HG2 VAL 115 12.115 0.862 1.975 627 H LEU 116 H LEU 116 9.583 2.148 2.040 628 HA LEU 116 HA LEU 116 7.709 3.329 0.068 629 1HB LEU 116 2HB LEU 116 9.218 4.635 2.341 630 2HB LEU 116 3HB LEU 116 7.918 5.348 1.373 631 HG LEU 116 HG LEU 116 6.680 3.051 2.201 632 1HD1 LEU 116 1HD1 LEU 116 8.806 3.677 4.265 633 2HD1 LEU 116 2HD1 LEU 116 7.219 3.176 4.809 634 3HD1 LEU 116 3HD1 LEU 116 8.125 2.112 3.739 635 1HD2 LEU 116 1HD2 LEU 116 5.748 5.249 2.317 636 2HD2 LEU 116 2HD2 LEU 116 5.550 4.450 3.883 637 3HD2 LEU 116 3HD2 LEU 116 6.820 5.686 3.682 638 H GLY 117 H GLY 117 8.264 4.855 -1.585 639 1HA GLY 117 1HA GLY 117 11.054 5.761 -1.801 640 2HA GLY 117 2HA GLY 117 10.646 4.436 -2.899 641 H GLU 118 H GLU 118 8.259 6.860 -1.980 642 HA GLU 118 HA GLU 118 8.677 8.377 -4.523 643 1HB GLU 118 2HB GLU 118 6.994 6.779 -4.992 644 2HB GLU 118 3HB GLU 118 6.167 7.054 -3.459 645 1HG GLU 118 2HG GLU 118 5.388 9.199 -4.151 646 2HG GLU 118 3HG GLU 118 6.475 9.227 -5.553 647 H ASP 119 H ASP 119 8.861 8.616 -1.268 648 HA ASP 119 HA ASP 119 8.404 10.129 0.324 649 1HB ASP 119 2HB ASP 119 9.976 11.340 -1.329 650 2HB ASP 119 3HB ASP 119 8.550 12.262 -1.829 651 H GLY 120 H GLY 120 6.269 8.875 -0.145 652 1HA GLY 120 1HA GLY 120 4.041 10.311 0.635 653 2HA GLY 120 2HA GLY 120 4.010 10.399 -1.133 654 H LYS 121 H LYS 121 4.800 8.051 -2.083 655 HA LYS 121 HA LYS 121 2.609 6.230 -1.182 656 1HB LYS 121 2HB LYS 121 4.054 6.583 -3.813 657 2HB LYS 121 3HB LYS 121 2.994 5.236 -3.496 658 1HG LYS 121 2HG LYS 121 1.961 7.008 -4.806 659 2HG LYS 121 3HG LYS 121 1.073 6.546 -3.348 660 1HD LYS 121 2HD LYS 121 1.566 8.551 -2.219 661 2HD LYS 121 3HD LYS 121 2.883 8.985 -3.331 662 1HE LYS 121 2HE LYS 121 0.083 8.675 -4.432 663 2HE LYS 121 3HE LYS 121 0.479 10.140 -3.528 664 1HZ LYS 121 1HZ LYS 121 2.161 9.199 -5.756 665 2HZ LYS 121 2HZ LYS 121 0.909 10.264 -5.978 666 3HZ LYS 121 3HZ LYS 121 2.216 10.623 -5.035 667 H LEU 122 H LEU 122 3.085 3.902 -1.771 668 HA LEU 122 HA LEU 122 5.664 3.130 -0.493 669 1HB LEU 122 2HB LEU 122 3.024 1.661 -0.278 670 2HB LEU 122 3HB LEU 122 4.506 1.435 0.652 671 HG LEU 122 HG LEU 122 3.892 4.142 1.119 672 1HD1 LEU 122 1HD1 LEU 122 1.273 2.615 1.147 673 2HD1 LEU 122 2HD1 LEU 122 1.588 4.285 1.674 674 3HD1 LEU 122 3HD1 LEU 122 1.715 3.861 -0.042 675 1HD2 LEU 122 1HD2 LEU 122 4.616 2.462 2.789 676 2HD2 LEU 122 2HD2 LEU 122 3.230 3.437 3.315 677 3HD2 LEU 122 3HD2 LEU 122 2.984 1.757 2.770 678 H ALA 123 H ALA 123 6.898 1.592 -1.646 679 HA ALA 123 HA ALA 123 5.636 0.387 -4.062 680 1HB ALA 123 1HB ALA 123 8.570 0.675 -3.273 681 2HB ALA 123 2HB ALA 123 7.946 -0.113 -4.735 682 3HB ALA 123 3HB ALA 123 7.707 1.630 -4.497 683 H ALA 124 H ALA 124 4.587 -1.393 -3.330 684 HA ALA 124 HA ALA 124 5.848 -3.068 -1.196 685 1HB ALA 124 1HB ALA 124 3.684 -2.389 -0.581 686 2HB ALA 124 2HB ALA 124 3.008 -2.844 -2.156 687 3HB ALA 124 3HB ALA 124 3.603 -4.104 -1.038 688 H THR 125 H THR 125 5.994 -5.331 -1.539 689 HA THR 125 HA THR 125 5.554 -6.307 -4.292 690 HB THR 125 HB THR 125 7.791 -5.683 -4.495 691 HG1 THR 125 1HG THR 125 6.982 -7.712 -5.339 692 1HG2 THR 125 1HG2 THR 125 8.431 -7.494 -2.125 693 2HG2 THR 125 2HG2 THR 125 9.594 -6.671 -3.176 694 3HG2 THR 125 3HG2 THR 125 8.535 -5.717 -2.121 695 H GLU 126 H GLU 126 6.125 -7.166 -0.831 696 HA GLU 126 HA GLU 126 5.013 -9.876 -1.369 697 1HB GLU 126 2HB GLU 126 6.111 -8.517 1.105 698 2HB GLU 126 3HB GLU 126 5.508 -10.180 1.049 699 1HG GLU 126 2HG GLU 126 7.275 -10.833 -0.491 700 2HG GLU 126 3HG GLU 126 7.819 -9.161 -0.675 701 H VAL 127 H VAL 127 2.755 -9.817 -1.607 702 HA VAL 127 HA VAL 127 1.242 -8.398 0.530 703 HB VAL 127 HB VAL 127 -0.756 -8.630 -1.000 704 1HG1 VAL 127 1HG1 VAL 127 1.303 -6.503 -1.178 705 2HG1 VAL 127 2HG1 VAL 127 -0.116 -6.460 -2.266 706 3HG1 VAL 127 3HG1 VAL 127 -0.316 -6.550 -0.509 707 1HG2 VAL 127 1HG2 VAL 127 -0.505 -8.631 -3.331 708 2HG2 VAL 127 2HG2 VAL 127 1.269 -8.729 -3.257 709 3HG2 VAL 127 3HG2 VAL 127 0.278 -10.069 -2.681 710 H LEU 128 H LEU 128 -0.187 -9.493 1.658 711 HA LEU 128 HA LEU 128 -0.449 -12.437 1.147 712 1HB LEU 128 2HB LEU 128 -0.451 -11.074 3.853 713 2HB LEU 128 3HB LEU 128 -0.470 -12.788 3.492 714 HG LEU 128 HG LEU 128 1.637 -12.286 4.321 715 1HD1 LEU 128 1HD1 LEU 128 3.190 -12.969 2.648 716 2HD1 LEU 128 2HD1 LEU 128 1.648 -13.792 2.327 717 3HD1 LEU 128 3HD1 LEU 128 2.156 -12.407 1.336 718 1HD2 LEU 128 1HD2 LEU 128 3.192 -10.635 3.669 719 2HD2 LEU 128 2HD2 LEU 128 2.233 -10.103 2.297 720 3HD2 LEU 128 3HD2 LEU 128 1.654 -9.808 3.946 721 H ALA 129 H ALA 129 -2.511 -12.886 0.554 722 HA ALA 129 HA ALA 129 -4.660 -10.952 1.149 723 1HB ALA 129 1HB ALA 129 -4.509 -13.253 -0.830 724 2HB ALA 129 2HB ALA 129 -5.853 -12.106 -0.663 725 3HB ALA 129 3HB ALA 129 -4.261 -11.529 -1.186 726 H LYS 130 H LYS 130 -4.378 -11.908 3.449 727 HA LYS 130 HA LYS 130 -5.824 -14.432 3.879 728 1HB LYS 130 2HB LYS 130 -5.184 -14.325 6.102 729 2HB LYS 130 3HB LYS 130 -3.795 -13.852 5.139 730 1HG LYS 130 2HG LYS 130 -5.481 -12.092 6.978 731 2HG LYS 130 3HG LYS 130 -3.840 -12.631 7.147 732 1HD LYS 130 2HD LYS 130 -3.446 -10.491 6.497 733 2HD LYS 130 3HD LYS 130 -3.308 -11.338 4.976 734 1HE LYS 130 2HE LYS 130 -4.575 -9.341 4.564 735 2HE LYS 130 3HE LYS 130 -5.776 -10.609 4.503 736 1HZ LYS 130 1HZ LYS 130 -6.518 -8.763 5.779 737 2HZ LYS 130 2HZ LYS 130 -6.432 -10.110 6.714 738 3HZ LYS 130 3HZ LYS 130 -5.283 -8.928 6.852 739 H HIS 131 H HID 131 -7.678 -13.059 2.612 740 HA HIS 131 HA HID 131 -9.509 -12.048 4.772 741 1HB HIS 131 2HB HID 131 -8.503 -10.419 2.880 742 2HB HIS 131 3HB HID 131 -9.937 -10.954 2.033 743 HD1 HIS 131 1HD HID 131 -8.976 -8.233 4.048 744 HD2 HIS 131 2HD HID 131 -12.190 -10.930 4.210 745 HE1 HIS 131 1HE HID 131 -10.790 -7.117 5.476 746 H ASP 132 H ASP 132 -10.214 -14.168 5.072 747 HA ASP 132 HA ASP 132 -12.109 -15.159 3.004 748 1HB ASP 132 2HB ASP 132 -10.189 -16.678 4.827 749 2HB ASP 132 3HB ASP 132 -11.666 -17.407 4.188
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