NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24643 | 2k3u | 15778 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 31 H1 ASN 31 0.135 21.295 -8.588 2 H2 ASN 31 H2 ASN 31 -0.436 21.453 -10.114 3 H3 ASN 31 H3 ASN 31 0.862 22.340 -9.634 4 HA ASN 31 HA ASN 31 0.729 19.438 -10.053 5 HB2 ASN 31 HB2 ASN 31 2.527 21.522 -11.373 6 HB3 ASN 31 HB3 ASN 31 2.509 19.801 -11.716 7 HD21 ASN 31 HD21 ASN 31 2.132 21.531 -13.874 8 HD22 ASN 31 HD22 ASN 31 0.454 21.396 -14.371 9 H SER 32 H SER 32 2.038 18.168 -8.894 10 HA SER 32 HA SER 32 4.174 19.408 -7.193 11 HB2 SER 32 HB2 SER 32 1.886 17.642 -6.270 12 HB3 SER 32 HB3 SER 32 3.229 18.213 -5.260 13 HG SER 32 HG SER 32 1.491 19.547 -4.970 14 H GLY 33 H GLY 33 4.121 17.344 -9.558 15 HA2 GLY 33 HA2 GLY 33 5.477 15.608 -10.188 16 HA3 GLY 33 HA3 GLY 33 6.423 15.895 -8.729 17 H LEU 34 H LEU 34 3.142 14.646 -9.483 18 HA LEU 34 HA LEU 34 3.560 12.363 -7.583 19 HB2 LEU 34 HB2 LEU 34 1.002 13.942 -8.047 20 HB3 LEU 34 HB3 LEU 34 1.237 12.662 -6.871 21 HG LEU 34 HG LEU 34 2.500 15.434 -6.785 22 HD11 LEU 34 HD11 LEU 34 0.110 15.481 -6.326 23 HD12 LEU 34 HD12 LEU 34 1.007 15.734 -4.820 24 HD13 LEU 34 HD13 LEU 34 0.272 14.154 -5.165 25 HD21 LEU 34 HD21 LEU 34 2.644 13.122 -4.813 26 HD22 LEU 34 HD22 LEU 34 3.156 14.780 -4.458 27 HD23 LEU 34 HD23 LEU 34 4.001 13.864 -5.704 28 HA PRO 35 HA PRO 35 1.521 9.988 -10.952 29 HB2 PRO 35 HB2 PRO 35 0.716 7.789 -9.591 30 HB3 PRO 35 HB3 PRO 35 2.440 8.059 -10.014 31 HG2 PRO 35 HG2 PRO 35 1.066 8.620 -7.369 32 HG3 PRO 35 HG3 PRO 35 2.629 7.796 -7.653 33 HD2 PRO 35 HD2 PRO 35 2.389 10.461 -6.991 34 HD3 PRO 35 HD3 PRO 35 3.728 9.840 -8.004 35 H THR 36 H THR 36 -0.716 9.547 -11.473 36 HA THR 36 HA THR 36 -2.708 10.641 -9.513 37 HB THR 36 HB THR 36 -1.993 12.366 -11.030 38 HG1 THR 36 HG1 THR 36 -4.597 11.369 -11.070 39 HG21 THR 36 HG21 THR 36 -2.781 12.377 -13.375 40 HG22 THR 36 HG22 THR 36 -3.255 10.672 -13.234 41 HG23 THR 36 HG23 THR 36 -1.545 11.148 -13.113 42 H THR 37 H THR 37 -2.147 7.806 -11.314 43 HA THR 37 HA THR 37 -5.077 7.233 -10.973 44 HB THR 37 HB THR 37 -4.938 5.692 -12.927 45 HG1 THR 37 HG1 THR 37 -3.355 6.085 -14.443 46 HG21 THR 37 HG21 THR 37 -6.040 7.921 -13.071 47 HG22 THR 37 HG22 THR 37 -5.325 7.401 -14.609 48 HG23 THR 37 HG23 THR 37 -4.502 8.621 -13.617 49 H LEU 38 H LEU 38 -5.500 5.625 -9.701 50 HA LEU 38 HA LEU 38 -3.575 4.323 -8.206 51 HB2 LEU 38 HB2 LEU 38 -6.190 4.661 -7.996 52 HB3 LEU 38 HB3 LEU 38 -6.262 3.045 -8.690 53 HG LEU 38 HG LEU 38 -5.061 3.960 -6.071 54 HD11 LEU 38 HD11 LEU 38 -7.306 2.018 -6.773 55 HD12 LEU 38 HD12 LEU 38 -7.472 3.634 -6.060 56 HD13 LEU 38 HD13 LEU 38 -6.723 2.340 -5.127 57 HD21 LEU 38 HD21 LEU 38 -3.526 2.222 -6.777 58 HD22 LEU 38 HD22 LEU 38 -4.882 1.171 -7.275 59 HD23 LEU 38 HD23 LEU 38 -4.594 1.537 -5.563 60 H GLY 39 H GLY 39 -5.200 2.990 -11.128 61 HA2 GLY 39 HA2 GLY 39 -4.412 0.340 -11.031 62 HA3 GLY 39 HA3 GLY 39 -4.580 1.255 -12.529 63 H LYS 40 H LYS 40 -2.341 3.041 -12.197 64 HA LYS 40 HA LYS 40 -0.185 1.320 -13.102 65 HB2 LYS 40 HB2 LYS 40 -0.074 4.259 -12.313 66 HB3 LYS 40 HB3 LYS 40 1.121 3.363 -13.265 67 HG2 LYS 40 HG2 LYS 40 -0.959 2.848 -14.819 68 HG3 LYS 40 HG3 LYS 40 -1.681 4.239 -14.036 69 HD2 LYS 40 HD2 LYS 40 1.023 4.279 -15.440 70 HD3 LYS 40 HD3 LYS 40 -0.514 4.619 -16.243 71 HE2 LYS 40 HE2 LYS 40 -0.917 6.554 -14.824 72 HE3 LYS 40 HE3 LYS 40 0.551 6.219 -13.885 73 HZ1 LYS 40 HZ1 LYS 40 1.886 6.665 -15.769 74 HZ2 LYS 40 HZ2 LYS 40 0.839 7.920 -15.724 75 HZ3 LYS 40 HZ3 LYS 40 0.626 6.700 -16.811 76 H LEU 41 H LEU 41 -0.806 3.008 -10.040 77 HA LEU 41 HA LEU 41 1.680 2.187 -8.787 78 HB2 LEU 41 HB2 LEU 41 0.423 4.225 -8.221 79 HB3 LEU 41 HB3 LEU 41 -0.916 3.271 -7.590 80 HG LEU 41 HG LEU 41 1.848 2.775 -6.472 81 HD11 LEU 41 HD11 LEU 41 1.716 5.225 -6.461 82 HD12 LEU 41 HD12 LEU 41 1.494 4.605 -4.818 83 HD13 LEU 41 HD13 LEU 41 0.088 5.163 -5.742 84 HD21 LEU 41 HD21 LEU 41 -0.888 2.983 -5.129 85 HD22 LEU 41 HD22 LEU 41 0.631 2.453 -4.366 86 HD23 LEU 41 HD23 LEU 41 -0.118 1.468 -5.627 87 H ASP 42 H ASP 42 -1.669 0.923 -8.744 88 HA ASP 42 HA ASP 42 -1.346 -1.301 -7.002 89 HB2 ASP 42 HB2 ASP 42 -3.538 -0.682 -7.776 90 HB3 ASP 42 HB3 ASP 42 -3.056 -0.764 -9.467 91 H GLU 43 H GLU 43 -0.656 -1.088 -10.508 92 HA GLU 43 HA GLU 43 0.152 -3.829 -10.775 93 HB2 GLU 43 HB2 GLU 43 -0.438 -2.342 -12.662 94 HB3 GLU 43 HB3 GLU 43 1.041 -1.421 -12.420 95 HG2 GLU 43 HG2 GLU 43 2.399 -3.135 -13.240 96 HG3 GLU 43 HG3 GLU 43 1.287 -4.409 -12.733 97 H ARG 44 H ARG 44 1.959 -0.862 -9.930 98 HA ARG 44 HA ARG 44 4.518 -2.165 -9.735 99 HB2 ARG 44 HB2 ARG 44 3.981 0.344 -9.946 100 HB3 ARG 44 HB3 ARG 44 3.718 0.336 -8.194 101 HG2 ARG 44 HG2 ARG 44 6.023 -0.408 -7.820 102 HG3 ARG 44 HG3 ARG 44 6.234 -0.733 -9.535 103 HD2 ARG 44 HD2 ARG 44 7.380 1.275 -9.127 104 HD3 ARG 44 HD3 ARG 44 5.946 1.698 -10.029 105 HE ARG 44 HE ARG 44 4.974 2.686 -8.069 106 HH11 ARG 44 HH11 ARG 44 8.432 1.939 -7.599 107 HH12 ARG 44 HH12 ARG 44 8.437 2.931 -6.150 108 HH21 ARG 44 HH21 ARG 44 5.323 4.152 -6.431 109 HH22 ARG 44 HH22 ARG 44 6.884 4.131 -5.597 110 H LEU 45 H LEU 45 1.985 -1.553 -7.242 111 HA LEU 45 HA LEU 45 3.485 -2.689 -5.084 112 HB2 LEU 45 HB2 LEU 45 0.508 -2.293 -5.516 113 HB3 LEU 45 HB3 LEU 45 1.188 -2.945 -4.029 114 HG LEU 45 HG LEU 45 1.760 -0.165 -5.131 115 HD11 LEU 45 HD11 LEU 45 0.463 0.492 -3.091 116 HD12 LEU 45 HD12 LEU 45 0.095 -1.218 -2.806 117 HD13 LEU 45 HD13 LEU 45 -0.503 -0.428 -4.267 118 HD21 LEU 45 HD21 LEU 45 2.730 -1.557 -2.603 119 HD22 LEU 45 HD22 LEU 45 2.790 0.195 -2.869 120 HD23 LEU 45 HD23 LEU 45 3.723 -0.870 -3.913 121 H ARG 46 H ARG 46 1.122 -4.322 -7.273 122 HA ARG 46 HA ARG 46 1.530 -6.857 -5.859 123 HB2 ARG 46 HB2 ARG 46 0.183 -7.887 -7.529 124 HB3 ARG 46 HB3 ARG 46 -0.532 -6.385 -6.960 125 HG2 ARG 46 HG2 ARG 46 0.322 -5.256 -9.055 126 HG3 ARG 46 HG3 ARG 46 0.891 -6.808 -9.620 127 HD2 ARG 46 HD2 ARG 46 -1.289 -6.244 -10.590 128 HD3 ARG 46 HD3 ARG 46 -1.384 -7.697 -9.614 129 HE ARG 46 HE ARG 46 -2.406 -4.963 -8.833 130 HH11 ARG 46 HH11 ARG 46 -2.876 -8.487 -8.607 131 HH12 ARG 46 HH12 ARG 46 -4.458 -8.196 -7.880 132 HH21 ARG 46 HH21 ARG 46 -4.218 -4.851 -7.629 133 HH22 ARG 46 HH22 ARG 46 -5.165 -6.332 -7.381 134 H ASN 47 H ASN 47 3.232 -5.259 -8.451 135 HA ASN 47 HA ASN 47 5.085 -7.496 -8.922 136 HB2 ASN 47 HB2 ASN 47 5.145 -4.523 -9.500 137 HB3 ASN 47 HB3 ASN 47 6.613 -5.467 -9.572 138 HD21 ASN 47 HD21 ASN 47 3.810 -4.583 -11.313 139 HD22 ASN 47 HD22 ASN 47 4.255 -5.510 -12.750 140 H TYR 48 H TYR 48 5.223 -4.658 -6.663 141 HA TYR 48 HA TYR 48 7.591 -5.304 -5.319 142 HB2 TYR 48 HB2 TYR 48 5.110 -3.860 -4.624 143 HB3 TYR 48 HB3 TYR 48 6.101 -4.331 -3.350 144 HD1 TYR 48 HD1 TYR 48 8.452 -3.456 -3.264 145 HD2 TYR 48 HD2 TYR 48 5.379 -1.727 -5.666 146 HE1 TYR 48 HE1 TYR 48 9.764 -1.305 -3.417 147 HE2 TYR 48 HE2 TYR 48 6.609 0.421 -5.734 148 HH TYR 48 HH TYR 48 9.777 0.842 -4.162 149 H LEU 49 H LEU 49 4.450 -6.888 -4.749 150 HA LEU 49 HA LEU 49 5.443 -8.407 -2.497 151 HB2 LEU 49 HB2 LEU 49 3.152 -8.592 -4.444 152 HB3 LEU 49 HB3 LEU 49 3.607 -10.082 -3.645 153 HG LEU 49 HG LEU 49 3.087 -7.565 -2.069 154 HD11 LEU 49 HD11 LEU 49 1.046 -8.091 -3.343 155 HD12 LEU 49 HD12 LEU 49 0.822 -8.535 -1.639 156 HD13 LEU 49 HD13 LEU 49 1.156 -9.798 -2.838 157 HD21 LEU 49 HD21 LEU 49 4.250 -9.318 -0.846 158 HD22 LEU 49 HD22 LEU 49 3.024 -10.513 -1.310 159 HD23 LEU 49 HD23 LEU 49 2.611 -9.159 -0.234 160 H LYS 50 H LYS 50 5.347 -9.363 -5.977 161 HA LYS 50 HA LYS 50 6.748 -11.852 -5.509 162 HB2 LYS 50 HB2 LYS 50 6.702 -10.208 -8.072 163 HB3 LYS 50 HB3 LYS 50 7.053 -11.937 -7.869 164 HG2 LYS 50 HG2 LYS 50 4.728 -12.315 -7.097 165 HG3 LYS 50 HG3 LYS 50 4.363 -10.600 -7.379 166 HD2 LYS 50 HD2 LYS 50 5.354 -12.474 -9.546 167 HD3 LYS 50 HD3 LYS 50 3.641 -12.196 -9.203 168 HE2 LYS 50 HE2 LYS 50 3.870 -9.812 -9.714 169 HE3 LYS 50 HE3 LYS 50 5.611 -9.995 -9.965 170 HZ1 LYS 50 HZ1 LYS 50 3.521 -11.378 -11.570 171 HZ2 LYS 50 HZ2 LYS 50 5.155 -11.493 -11.800 172 HZ3 LYS 50 HZ3 LYS 50 4.380 -10.070 -12.072 173 H LYS 51 H LYS 51 7.851 -8.658 -6.480 174 HA LYS 51 HA LYS 51 10.671 -9.219 -6.698 175 HB2 LYS 51 HB2 LYS 51 9.000 -6.719 -6.440 176 HB3 LYS 51 HB3 LYS 51 10.750 -6.669 -6.559 177 HG2 LYS 51 HG2 LYS 51 10.612 -7.910 -8.725 178 HG3 LYS 51 HG3 LYS 51 8.848 -7.831 -8.600 179 HD2 LYS 51 HD2 LYS 51 9.247 -6.058 -9.957 180 HD3 LYS 51 HD3 LYS 51 9.209 -5.255 -8.415 181 HE2 LYS 51 HE2 LYS 51 11.756 -6.146 -9.862 182 HE3 LYS 51 HE3 LYS 51 11.025 -4.557 -10.062 183 HZ1 LYS 51 HZ1 LYS 51 11.429 -4.105 -7.714 184 HZ2 LYS 51 HZ2 LYS 51 12.826 -4.499 -8.493 185 HZ3 LYS 51 HZ3 LYS 51 12.142 -5.590 -7.514 186 H GLY 52 H GLY 52 8.704 -8.711 -3.856 187 HA2 GLY 52 HA2 GLY 52 11.121 -7.918 -2.291 188 HA3 GLY 52 HA3 GLY 52 9.562 -7.118 -2.199 189 H THR 53 H THR 53 8.517 -10.239 -2.275 190 HA THR 53 HA THR 53 9.128 -10.831 0.586 191 HB THR 53 HB THR 53 7.347 -12.428 0.509 192 HG1 THR 53 HG1 THR 53 6.766 -11.460 -2.131 193 HG21 THR 53 HG21 THR 53 5.392 -11.038 0.242 194 HG22 THR 53 HG22 THR 53 6.379 -9.793 -0.576 195 HG23 THR 53 HG23 THR 53 6.672 -10.206 1.127 196 H LYS 54 H LYS 54 9.400 -13.199 1.016 197 HA LYS 54 HA LYS 54 11.091 -14.594 -0.957 198 HB2 LYS 54 HB2 LYS 54 10.245 -15.536 1.818 199 HB3 LYS 54 HB3 LYS 54 11.458 -16.224 0.758 200 HG2 LYS 54 HG2 LYS 54 12.877 -15.028 2.083 201 HG3 LYS 54 HG3 LYS 54 12.533 -13.780 0.901 202 HD2 LYS 54 HD2 LYS 54 12.414 -12.695 2.966 203 HD3 LYS 54 HD3 LYS 54 10.726 -12.923 2.527 204 HE2 LYS 54 HE2 LYS 54 10.781 -15.055 3.977 205 HE3 LYS 54 HE3 LYS 54 12.387 -14.525 4.509 206 HZ1 LYS 54 HZ1 LYS 54 10.867 -13.683 6.079 207 HZ2 LYS 54 HZ2 LYS 54 9.792 -13.203 4.957 208 HZ3 LYS 54 HZ3 LYS 54 11.206 -12.362 5.138 209 H ASN 55 H ASN 55 7.844 -14.648 0.480 210 HA ASN 55 HA ASN 55 6.884 -16.157 -1.875 211 HB2 ASN 55 HB2 ASN 55 7.313 -17.889 -0.169 212 HB3 ASN 55 HB3 ASN 55 6.467 -16.934 1.046 213 HD21 ASN 55 HD21 ASN 55 5.021 -18.612 1.508 214 HD22 ASN 55 HD22 ASN 55 3.740 -19.053 0.379 215 H SER 56 H SER 56 5.261 -15.080 -2.748 216 HA SER 56 HA SER 56 3.660 -13.145 -1.195 217 HB2 SER 56 HB2 SER 56 4.553 -12.391 -3.281 218 HB3 SER 56 HB3 SER 56 3.865 -13.764 -4.152 219 HG SER 56 HG SER 56 2.537 -11.939 -4.397 220 H ALA 57 H ALA 57 3.268 -16.428 -2.410 221 HA ALA 57 HA ALA 57 0.605 -16.399 -3.210 222 HB1 ALA 57 HB1 ALA 57 0.777 -18.853 -3.008 223 HB2 ALA 57 HB2 ALA 57 2.207 -18.672 -1.980 224 HB3 ALA 57 HB3 ALA 57 2.266 -18.165 -3.684 225 H GLN 58 H GLN 58 1.579 -16.163 0.029 226 HA GLN 58 HA GLN 58 -0.837 -17.255 1.287 227 HB2 GLN 58 HB2 GLN 58 0.265 -16.542 3.350 228 HB3 GLN 58 HB3 GLN 58 1.385 -17.443 2.327 229 HG2 GLN 58 HG2 GLN 58 2.270 -15.162 1.488 230 HG3 GLN 58 HG3 GLN 58 1.322 -14.416 2.751 231 HE21 GLN 58 HE21 GLN 58 4.312 -15.024 1.967 232 HE22 GLN 58 HE22 GLN 58 5.003 -15.568 3.449 233 H PHE 59 H PHE 59 0.020 -14.189 -0.149 234 HA PHE 59 HA PHE 59 -1.507 -12.558 1.722 235 HB2 PHE 59 HB2 PHE 59 0.098 -11.914 -0.732 236 HB3 PHE 59 HB3 PHE 59 -0.876 -10.719 0.113 237 HD1 PHE 59 HD1 PHE 59 -0.432 -10.131 2.492 238 HD2 PHE 59 HD2 PHE 59 2.217 -12.698 0.299 239 HE1 PHE 59 HE1 PHE 59 1.252 -9.926 4.298 240 HE2 PHE 59 HE2 PHE 59 3.931 -12.466 2.073 241 HZ PHE 59 HZ PHE 59 3.437 -11.116 4.094 242 H GLU 60 H GLU 60 -3.192 -11.118 1.184 243 HA GLU 60 HA GLU 60 -5.213 -12.246 -0.737 244 HB2 GLU 60 HB2 GLU 60 -5.807 -13.251 1.219 245 HB3 GLU 60 HB3 GLU 60 -5.213 -11.951 2.255 246 HG2 GLU 60 HG2 GLU 60 -7.169 -10.594 1.794 247 HG3 GLU 60 HG3 GLU 60 -7.744 -11.765 0.599 248 H LYS 61 H LYS 61 -4.257 -9.421 1.269 249 HA LYS 61 HA LYS 61 -5.211 -7.687 -0.880 250 HB2 LYS 61 HB2 LYS 61 -6.808 -6.437 0.254 251 HB3 LYS 61 HB3 LYS 61 -7.217 -8.096 0.640 252 HG2 LYS 61 HG2 LYS 61 -6.200 -7.812 2.888 253 HG3 LYS 61 HG3 LYS 61 -5.749 -6.142 2.476 254 HD2 LYS 61 HD2 LYS 61 -7.989 -5.405 2.336 255 HD3 LYS 61 HD3 LYS 61 -8.597 -7.056 2.185 256 HE2 LYS 61 HE2 LYS 61 -7.699 -7.508 4.523 257 HE3 LYS 61 HE3 LYS 61 -7.365 -5.787 4.652 258 HZ1 LYS 61 HZ1 LYS 61 -10.047 -6.964 4.167 259 HZ2 LYS 61 HZ2 LYS 61 -9.726 -5.351 4.443 260 HZ3 LYS 61 HZ3 LYS 61 -9.494 -6.480 5.621 261 H MET 62 H MET 62 -4.948 -5.429 -0.353 262 HA MET 62 HA MET 62 -2.657 -4.763 1.384 263 HB2 MET 62 HB2 MET 62 -1.413 -3.661 -0.358 264 HB3 MET 62 HB3 MET 62 -1.704 -5.339 -0.827 265 HG2 MET 62 HG2 MET 62 -3.545 -4.620 -2.311 266 HG3 MET 62 HG3 MET 62 -3.237 -2.933 -1.871 267 HE1 MET 62 HE1 MET 62 -3.372 -3.941 -4.873 268 HE2 MET 62 HE2 MET 62 -1.981 -3.094 -5.573 269 HE3 MET 62 HE3 MET 62 -3.036 -2.256 -4.412 270 H VAL 63 H VAL 63 -2.468 -2.549 1.870 271 HA VAL 63 HA VAL 63 -4.652 -0.722 1.062 272 HB VAL 63 HB VAL 63 -5.380 -1.844 3.168 273 HG11 VAL 63 HG11 VAL 63 -3.140 -0.500 4.632 274 HG12 VAL 63 HG12 VAL 63 -2.954 -2.118 3.968 275 HG13 VAL 63 HG13 VAL 63 -4.265 -1.829 5.109 276 HG21 VAL 63 HG21 VAL 63 -4.643 1.075 3.662 277 HG22 VAL 63 HG22 VAL 63 -5.873 0.112 4.504 278 HG23 VAL 63 HG23 VAL 63 -6.087 0.512 2.796 279 H ILE 64 H ILE 64 -4.062 1.393 1.017 280 HA ILE 64 HA ILE 64 -1.107 1.910 1.060 281 HB ILE 64 HB ILE 64 -3.118 2.877 -0.998 282 HG12 ILE 64 HG12 ILE 64 -1.333 0.459 -1.437 283 HG13 ILE 64 HG13 ILE 64 -3.035 0.319 -1.021 284 HG21 ILE 64 HG21 ILE 64 -0.080 2.608 -1.090 285 HG22 ILE 64 HG22 ILE 64 -0.968 4.118 -0.798 286 HG23 ILE 64 HG23 ILE 64 -1.103 3.314 -2.357 287 HD11 ILE 64 HD11 ILE 64 -3.687 1.587 -3.030 288 HD12 ILE 64 HD12 ILE 64 -2.847 0.066 -3.374 289 HD13 ILE 64 HD13 ILE 64 -1.985 1.602 -3.543 290 H LEU 65 H LEU 65 -0.512 3.783 2.048 291 HA LEU 65 HA LEU 65 -2.602 5.853 2.607 292 HB2 LEU 65 HB2 LEU 65 -0.200 5.398 4.390 293 HB3 LEU 65 HB3 LEU 65 -1.629 6.373 4.681 294 HG LEU 65 HG LEU 65 -1.522 3.341 4.666 295 HD11 LEU 65 HD11 LEU 65 -0.486 4.495 6.644 296 HD12 LEU 65 HD12 LEU 65 -1.919 3.539 7.063 297 HD13 LEU 65 HD13 LEU 65 -2.030 5.308 6.938 298 HD21 LEU 65 HD21 LEU 65 -3.753 4.105 3.912 299 HD22 LEU 65 HD22 LEU 65 -3.832 5.234 5.278 300 HD23 LEU 65 HD23 LEU 65 -3.838 3.473 5.557 301 H THR 66 H THR 66 -2.185 7.802 1.779 302 HA THR 66 HA THR 66 0.558 8.323 0.679 303 HB THR 66 HB THR 66 -0.456 9.536 -1.125 304 HG1 THR 66 HG1 THR 66 -2.254 10.381 -0.165 305 HG21 THR 66 HG21 THR 66 -0.261 7.076 -1.419 306 HG22 THR 66 HG22 THR 66 -1.573 7.800 -2.366 307 HG23 THR 66 HG23 THR 66 -1.951 6.901 -0.882 308 H GLU 67 H GLU 67 1.001 10.706 0.261 309 HA GLU 67 HA GLU 67 0.461 12.516 2.408 310 HB2 GLU 67 HB2 GLU 67 0.579 13.368 -0.473 311 HB3 GLU 67 HB3 GLU 67 1.073 14.284 0.931 312 HG2 GLU 67 HG2 GLU 67 3.102 12.985 1.168 313 HG3 GLU 67 HG3 GLU 67 2.579 11.821 -0.055 314 H ASN 68 H ASN 68 -1.037 14.403 2.328 315 HA ASN 68 HA ASN 68 -3.079 15.382 2.238 316 HB2 ASN 68 HB2 ASN 68 -3.364 14.066 -0.490 317 HB3 ASN 68 HB3 ASN 68 -4.261 15.451 0.081 318 HD21 ASN 68 HD21 ASN 68 -1.653 14.584 -1.784 319 HD22 ASN 68 HD22 ASN 68 -0.588 15.968 -1.533 320 H LYS 69 H LYS 69 -2.791 12.911 3.549 321 HA LYS 69 HA LYS 69 -3.806 11.102 4.465 322 HB2 LYS 69 HB2 LYS 69 -6.029 13.155 4.527 323 HB3 LYS 69 HB3 LYS 69 -6.049 11.649 5.450 324 HG2 LYS 69 HG2 LYS 69 -4.137 12.259 6.750 325 HG3 LYS 69 HG3 LYS 69 -3.773 13.644 5.728 326 HD2 LYS 69 HD2 LYS 69 -4.811 14.372 7.822 327 HD3 LYS 69 HD3 LYS 69 -5.842 14.776 6.442 328 HE2 LYS 69 HE2 LYS 69 -7.139 12.659 6.874 329 HE3 LYS 69 HE3 LYS 69 -6.153 12.420 8.327 330 HZ1 LYS 69 HZ1 LYS 69 -7.018 14.562 9.131 331 HZ2 LYS 69 HZ2 LYS 69 -8.231 13.480 8.887 332 HZ3 LYS 69 HZ3 LYS 69 -7.987 14.703 7.821 333 H GLY 70 H GLY 70 -3.900 10.881 1.573 334 HA2 GLY 70 HA2 GLY 70 -6.360 9.581 0.833 335 HA3 GLY 70 HA3 GLY 70 -4.795 9.311 0.077 336 H TYR 71 H TYR 71 -7.057 7.567 1.002 337 HA TYR 71 HA TYR 71 -5.417 5.362 2.112 338 HB2 TYR 71 HB2 TYR 71 -6.624 6.322 4.013 339 HB3 TYR 71 HB3 TYR 71 -8.145 6.212 3.150 340 HD1 TYR 71 HD1 TYR 71 -8.952 3.795 2.453 341 HD2 TYR 71 HD2 TYR 71 -6.030 4.571 5.560 342 HE1 TYR 71 HE1 TYR 71 -9.484 1.620 3.531 343 HE2 TYR 71 HE2 TYR 71 -6.637 2.465 6.647 344 HH TYR 71 HH TYR 71 -8.108 0.772 6.711 345 H TYR 72 H TYR 72 -5.667 3.614 0.871 346 HA TYR 72 HA TYR 72 -8.073 3.190 -0.843 347 HB2 TYR 72 HB2 TYR 72 -5.194 3.106 -1.836 348 HB3 TYR 72 HB3 TYR 72 -6.625 2.738 -2.770 349 HD1 TYR 72 HD1 TYR 72 -4.685 5.470 -1.138 350 HD2 TYR 72 HD2 TYR 72 -7.889 4.477 -3.850 351 HE1 TYR 72 HE1 TYR 72 -4.781 7.844 -1.898 352 HE2 TYR 72 HE2 TYR 72 -7.961 6.839 -4.633 353 HH TYR 72 HH TYR 72 -6.995 8.892 -4.502 354 H THR 73 H THR 73 -8.437 0.941 -1.289 355 HA THR 73 HA THR 73 -6.553 -1.019 -0.095 356 HB THR 73 HB THR 73 -7.884 -0.319 1.767 357 HG1 THR 73 HG1 THR 73 -8.162 -2.193 2.471 358 HG21 THR 73 HG21 THR 73 -10.357 -1.275 0.292 359 HG22 THR 73 HG22 THR 73 -9.981 0.406 0.734 360 HG23 THR 73 HG23 THR 73 -10.259 -0.799 1.998 361 H VAL 74 H VAL 74 -6.530 -2.981 -0.997 362 HA VAL 74 HA VAL 74 -8.463 -3.622 -3.187 363 HB VAL 74 HB VAL 74 -5.438 -3.484 -3.548 364 HG11 VAL 74 HG11 VAL 74 -7.679 -4.108 -5.526 365 HG12 VAL 74 HG12 VAL 74 -6.446 -5.247 -4.933 366 HG13 VAL 74 HG13 VAL 74 -5.968 -3.887 -5.943 367 HG21 VAL 74 HG21 VAL 74 -6.295 -1.199 -3.539 368 HG22 VAL 74 HG22 VAL 74 -7.582 -1.648 -4.683 369 HG23 VAL 74 HG23 VAL 74 -5.877 -1.676 -5.182 370 H TYR 75 H TYR 75 -9.138 -5.644 -2.811 371 HA TYR 75 HA TYR 75 -7.491 -7.764 -1.637 372 HB2 TYR 75 HB2 TYR 75 -10.144 -7.743 -3.092 373 HB3 TYR 75 HB3 TYR 75 -9.316 -9.226 -2.652 374 HD1 TYR 75 HD1 TYR 75 -9.097 -9.967 -0.338 375 HD2 TYR 75 HD2 TYR 75 -11.098 -6.271 -1.309 376 HE1 TYR 75 HE1 TYR 75 -10.026 -9.863 1.969 377 HE2 TYR 75 HE2 TYR 75 -12.008 -6.155 0.990 378 HH TYR 75 HH TYR 75 -11.174 -8.613 3.481 379 H LEU 76 H LEU 76 -5.921 -8.717 -2.605 380 HA LEU 76 HA LEU 76 -5.156 -8.305 -5.383 381 HB2 LEU 76 HB2 LEU 76 -4.144 -10.089 -3.123 382 HB3 LEU 76 HB3 LEU 76 -3.324 -9.927 -4.666 383 HG LEU 76 HG LEU 76 -3.866 -7.507 -2.885 384 HD11 LEU 76 HD11 LEU 76 -1.420 -9.296 -2.935 385 HD12 LEU 76 HD12 LEU 76 -2.567 -9.114 -1.588 386 HD13 LEU 76 HD13 LEU 76 -1.567 -7.737 -2.081 387 HD21 LEU 76 HD21 LEU 76 -3.302 -6.972 -5.214 388 HD22 LEU 76 HD22 LEU 76 -1.879 -8.041 -5.137 389 HD23 LEU 76 HD23 LEU 76 -1.951 -6.566 -4.154 390 H ASN 77 H ASN 77 -7.068 -10.632 -3.694 391 HA ASN 77 HA ASN 77 -6.757 -12.934 -5.295 392 HB2 ASN 77 HB2 ASN 77 -9.098 -11.935 -3.617 393 HB3 ASN 77 HB3 ASN 77 -8.998 -13.552 -4.301 394 HD21 ASN 77 HD21 ASN 77 -9.361 -13.270 -1.644 395 HD22 ASN 77 HD22 ASN 77 -7.916 -13.870 -0.843 396 H THR 78 H THR 78 -8.500 -9.999 -6.188 397 HA THR 78 HA THR 78 -9.793 -11.436 -8.445 398 HB THR 78 HB THR 78 -11.910 -10.318 -8.059 399 HG1 THR 78 HG1 THR 78 -11.654 -8.560 -6.949 400 HG21 THR 78 HG21 THR 78 -11.096 -11.643 -5.438 401 HG22 THR 78 HG22 THR 78 -11.519 -12.540 -6.914 402 HG23 THR 78 HG23 THR 78 -12.721 -11.498 -6.130 403 HA PRO 79 HA PRO 79 -8.136 -8.049 -10.736 404 HB2 PRO 79 HB2 PRO 79 -10.503 -8.352 -12.575 405 HB3 PRO 79 HB3 PRO 79 -8.759 -8.254 -12.975 406 HG2 PRO 79 HG2 PRO 79 -10.018 -10.641 -12.971 407 HG3 PRO 79 HG3 PRO 79 -8.394 -10.497 -12.217 408 HD2 PRO 79 HD2 PRO 79 -11.076 -10.509 -10.832 409 HD3 PRO 79 HD3 PRO 79 -9.572 -11.404 -10.447 410 H LEU 80 H LEU 80 -8.217 -5.823 -10.431 411 HA LEU 80 HA LEU 80 -10.765 -4.579 -9.670 412 HB2 LEU 80 HB2 LEU 80 -9.658 -2.691 -9.090 413 HB3 LEU 80 HB3 LEU 80 -8.532 -3.955 -8.651 414 HG LEU 80 HG LEU 80 -8.355 -2.116 -11.082 415 HD11 LEU 80 HD11 LEU 80 -6.457 -1.109 -9.904 416 HD12 LEU 80 HD12 LEU 80 -6.690 -2.212 -8.534 417 HD13 LEU 80 HD13 LEU 80 -7.920 -0.991 -8.916 418 HD21 LEU 80 HD21 LEU 80 -6.047 -3.009 -11.325 419 HD22 LEU 80 HD22 LEU 80 -7.260 -4.268 -11.576 420 HD23 LEU 80 HD23 LEU 80 -6.378 -4.177 -10.030 421 H ALA 81 H ALA 81 -12.113 -3.375 -10.881 422 HA ALA 81 HA ALA 81 -11.994 -3.588 -13.758 423 HB1 ALA 81 HB1 ALA 81 -13.827 -1.965 -11.955 424 HB2 ALA 81 HB2 ALA 81 -14.057 -3.684 -12.357 425 HB3 ALA 81 HB3 ALA 81 -14.155 -2.459 -13.631 426 H GLU 82 H GLU 82 -12.383 -1.719 -15.236 427 HA GLU 82 HA GLU 82 -10.276 0.084 -15.433 428 HB2 GLU 82 HB2 GLU 82 -13.122 0.304 -16.454 429 HB3 GLU 82 HB3 GLU 82 -11.874 1.486 -16.862 430 HG2 GLU 82 HG2 GLU 82 -10.470 -0.292 -17.840 431 HG3 GLU 82 HG3 GLU 82 -11.742 -1.471 -17.504 432 H ASP 83 H ASP 83 -13.392 0.783 -13.754 433 HA ASP 83 HA ASP 83 -12.767 3.599 -13.477 434 HB2 ASP 83 HB2 ASP 83 -14.779 1.804 -12.097 435 HB3 ASP 83 HB3 ASP 83 -14.661 3.538 -11.784 436 H ARG 84 H ARG 84 -11.751 0.823 -11.710 437 HA ARG 84 HA ARG 84 -10.737 2.398 -9.374 438 HB2 ARG 84 HB2 ARG 84 -10.566 -0.564 -10.081 439 HB3 ARG 84 HB3 ARG 84 -9.952 0.194 -8.616 440 HG2 ARG 84 HG2 ARG 84 -12.212 0.797 -7.893 441 HG3 ARG 84 HG3 ARG 84 -12.891 0.195 -9.414 442 HD2 ARG 84 HD2 ARG 84 -13.231 -1.523 -7.792 443 HD3 ARG 84 HD3 ARG 84 -11.973 -2.061 -8.908 444 HE ARG 84 HE ARG 84 -11.012 -0.767 -6.436 445 HH11 ARG 84 HH11 ARG 84 -12.048 -3.905 -7.691 446 HH12 ARG 84 HH12 ARG 84 -11.015 -4.744 -6.537 447 HH21 ARG 84 HH21 ARG 84 -10.016 -1.848 -4.953 448 HH22 ARG 84 HH22 ARG 84 -10.237 -3.593 -4.798 449 H LYS 85 H LYS 85 -9.598 0.711 -12.317 450 HA LYS 85 HA LYS 85 -6.774 1.134 -11.887 451 HB2 LYS 85 HB2 LYS 85 -8.429 0.903 -14.430 452 HB3 LYS 85 HB3 LYS 85 -6.672 1.046 -14.414 453 HG2 LYS 85 HG2 LYS 85 -6.510 -1.045 -13.061 454 HG3 LYS 85 HG3 LYS 85 -8.277 -1.240 -13.193 455 HD2 LYS 85 HD2 LYS 85 -8.128 -1.300 -15.636 456 HD3 LYS 85 HD3 LYS 85 -6.384 -0.974 -15.554 457 HE2 LYS 85 HE2 LYS 85 -5.972 -3.111 -14.465 458 HE3 LYS 85 HE3 LYS 85 -7.708 -3.475 -14.430 459 HZ1 LYS 85 HZ1 LYS 85 -6.439 -4.458 -16.356 460 HZ2 LYS 85 HZ2 LYS 85 -6.238 -2.937 -16.949 461 HZ3 LYS 85 HZ3 LYS 85 -7.744 -3.549 -16.801 462 H ASN 86 H ASN 86 -9.323 3.230 -12.982 463 HA ASN 86 HA ASN 86 -7.423 5.422 -13.618 464 HB2 ASN 86 HB2 ASN 86 -10.336 4.914 -14.347 465 HB3 ASN 86 HB3 ASN 86 -9.386 6.284 -14.878 466 HD21 ASN 86 HD21 ASN 86 -10.372 5.261 -16.893 467 HD22 ASN 86 HD22 ASN 86 -9.351 4.090 -17.742 468 H VAL 87 H VAL 87 -8.874 4.638 -10.771 469 HA VAL 87 HA VAL 87 -10.224 7.165 -10.200 470 HB VAL 87 HB VAL 87 -10.701 4.904 -9.126 471 HG11 VAL 87 HG11 VAL 87 -9.565 4.300 -7.115 472 HG12 VAL 87 HG12 VAL 87 -8.436 5.673 -7.265 473 HG13 VAL 87 HG13 VAL 87 -8.412 4.349 -8.452 474 HG21 VAL 87 HG21 VAL 87 -11.463 5.921 -7.057 475 HG22 VAL 87 HG22 VAL 87 -11.717 7.047 -8.397 476 HG23 VAL 87 HG23 VAL 87 -10.360 7.294 -7.271 477 H GLU 88 H GLU 88 -9.449 8.900 -8.898 478 HA GLU 88 HA GLU 88 -6.770 9.469 -9.585 479 HB2 GLU 88 HB2 GLU 88 -8.755 10.971 -9.771 480 HB3 GLU 88 HB3 GLU 88 -8.784 11.104 -8.000 481 HG2 GLU 88 HG2 GLU 88 -6.511 11.963 -8.035 482 HG3 GLU 88 HG3 GLU 88 -6.440 11.849 -9.802 483 H LEU 89 H LEU 89 -4.963 9.634 -8.429 484 HA LEU 89 HA LEU 89 -4.833 8.776 -5.615 485 HB2 LEU 89 HB2 LEU 89 -2.719 9.606 -7.620 486 HB3 LEU 89 HB3 LEU 89 -2.356 9.130 -5.973 487 HG LEU 89 HG LEU 89 -3.757 7.333 -7.998 488 HD11 LEU 89 HD11 LEU 89 -1.624 6.140 -8.161 489 HD12 LEU 89 HD12 LEU 89 -0.865 7.321 -7.070 490 HD13 LEU 89 HD13 LEU 89 -1.451 7.822 -8.673 491 HD21 LEU 89 HD21 LEU 89 -4.256 6.653 -5.673 492 HD22 LEU 89 HD22 LEU 89 -2.536 6.800 -5.235 493 HD23 LEU 89 HD23 LEU 89 -3.072 5.531 -6.347 494 H LEU 90 H LEU 90 -4.859 10.064 -3.926 495 HA LEU 90 HA LEU 90 -4.967 12.937 -4.056 496 HB2 LEU 90 HB2 LEU 90 -5.026 10.796 -1.933 497 HB3 LEU 90 HB3 LEU 90 -4.706 12.436 -1.412 498 HG LEU 90 HG LEU 90 -7.131 11.749 -3.114 499 HD11 LEU 90 HD11 LEU 90 -6.848 11.916 -0.082 500 HD12 LEU 90 HD12 LEU 90 -7.300 10.486 -1.050 501 HD13 LEU 90 HD13 LEU 90 -8.392 11.873 -0.955 502 HD21 LEU 90 HD21 LEU 90 -6.485 14.119 -1.292 503 HD22 LEU 90 HD22 LEU 90 -7.990 13.881 -2.203 504 HD23 LEU 90 HD23 LEU 90 -6.479 14.162 -3.068 505 H GLY 91 H GLY 91 -2.251 10.753 -3.356 506 HA2 GLY 91 HA2 GLY 91 -0.339 12.973 -3.403 507 HA3 GLY 91 HA3 GLY 91 -0.624 12.272 -1.814 508 H LYS 92 H LYS 92 1.865 12.156 -2.491 509 HA LYS 92 HA LYS 92 2.687 9.884 -4.034 510 HB2 LYS 92 HB2 LYS 92 3.968 12.079 -3.146 511 HB3 LYS 92 HB3 LYS 92 4.403 11.012 -1.834 512 HG2 LYS 92 HG2 LYS 92 6.147 10.708 -3.320 513 HG3 LYS 92 HG3 LYS 92 5.090 9.380 -3.838 514 HD2 LYS 92 HD2 LYS 92 4.197 10.903 -5.644 515 HD3 LYS 92 HD3 LYS 92 5.345 12.133 -5.088 516 HE2 LYS 92 HE2 LYS 92 6.999 9.953 -5.387 517 HE3 LYS 92 HE3 LYS 92 5.823 9.644 -6.669 518 HZ1 LYS 92 HZ1 LYS 92 7.718 11.013 -7.400 519 HZ2 LYS 92 HZ2 LYS 92 7.332 12.165 -6.285 520 HZ3 LYS 92 HZ3 LYS 92 6.320 11.861 -7.553 521 H MET 93 H MET 93 3.867 8.019 -3.299 522 HA MET 93 HA MET 93 2.166 6.388 -1.646 523 HB2 MET 93 HB2 MET 93 3.246 5.792 -3.881 524 HB3 MET 93 HB3 MET 93 4.769 5.614 -3.031 525 HG2 MET 93 HG2 MET 93 3.597 3.862 -1.560 526 HG3 MET 93 HG3 MET 93 2.193 4.044 -2.604 527 HE1 MET 93 HE1 MET 93 6.166 1.887 -3.547 528 HE2 MET 93 HE2 MET 93 5.495 2.249 -1.943 529 HE3 MET 93 HE3 MET 93 6.148 3.561 -2.950 530 H TYR 94 H TYR 94 2.893 7.854 0.358 531 HA TYR 94 HA TYR 94 5.361 7.465 1.590 532 HB2 TYR 94 HB2 TYR 94 3.770 9.154 2.300 533 HB3 TYR 94 HB3 TYR 94 2.629 7.935 2.801 534 HD1 TYR 94 HD1 TYR 94 6.342 8.116 3.494 535 HD2 TYR 94 HD2 TYR 94 2.337 8.274 5.100 536 HE1 TYR 94 HE1 TYR 94 7.263 8.169 5.793 537 HE2 TYR 94 HE2 TYR 94 3.266 8.334 7.402 538 HH TYR 94 HH TYR 94 6.789 8.102 8.009 539 H LYS 95 H LYS 95 2.462 5.353 2.121 540 HA LYS 95 HA LYS 95 4.279 3.154 2.982 541 HB2 LYS 95 HB2 LYS 95 1.923 4.158 4.639 542 HB3 LYS 95 HB3 LYS 95 2.811 2.674 4.959 543 HG2 LYS 95 HG2 LYS 95 3.994 5.465 5.135 544 HG3 LYS 95 HG3 LYS 95 3.353 4.537 6.483 545 HD2 LYS 95 HD2 LYS 95 5.100 2.929 6.409 546 HD3 LYS 95 HD3 LYS 95 5.557 3.378 4.772 547 HE2 LYS 95 HE2 LYS 95 7.256 4.280 6.123 548 HE3 LYS 95 HE3 LYS 95 6.256 5.643 5.610 549 HZ1 LYS 95 HZ1 LYS 95 6.176 4.303 8.266 550 HZ2 LYS 95 HZ2 LYS 95 5.170 5.520 7.848 551 HZ3 LYS 95 HZ3 LYS 95 6.788 5.789 7.964 552 H THR 96 H THR 96 3.507 1.108 2.711 553 HA THR 96 HA THR 96 0.637 0.682 2.056 554 HB THR 96 HB THR 96 2.894 -0.736 0.586 555 HG1 THR 96 HG1 THR 96 2.520 1.451 0.033 556 HG21 THR 96 HG21 THR 96 1.113 -1.586 -0.865 557 HG22 THR 96 HG22 THR 96 -0.121 -0.742 0.091 558 HG23 THR 96 HG23 THR 96 0.785 -2.100 0.780 559 H TYR 97 H TYR 97 -0.167 -1.148 2.830 560 HA TYR 97 HA TYR 97 1.497 -2.932 4.586 561 HB2 TYR 97 HB2 TYR 97 -1.271 -1.899 5.273 562 HB3 TYR 97 HB3 TYR 97 -0.265 -2.910 6.254 563 HD1 TYR 97 HD1 TYR 97 -0.678 0.524 4.846 564 HD2 TYR 97 HD2 TYR 97 1.391 -1.949 7.705 565 HE1 TYR 97 HE1 TYR 97 0.332 2.540 5.881 566 HE2 TYR 97 HE2 TYR 97 2.423 0.066 8.698 567 HH TYR 97 HH TYR 97 2.600 2.395 8.640 568 H PHE 98 H PHE 98 0.862 -5.080 4.687 569 HA PHE 98 HA PHE 98 -1.234 -6.016 2.750 570 HB2 PHE 98 HB2 PHE 98 1.634 -6.917 3.085 571 HB3 PHE 98 HB3 PHE 98 0.460 -7.724 2.073 572 HD1 PHE 98 HD1 PHE 98 2.509 -4.620 2.420 573 HD2 PHE 98 HD2 PHE 98 -0.025 -6.988 -0.133 574 HE1 PHE 98 HE1 PHE 98 3.261 -3.308 0.447 575 HE2 PHE 98 HE2 PHE 98 0.752 -5.689 -2.107 576 HZ PHE 98 HZ PHE 98 2.409 -3.868 -1.820 577 H PHE 99 H PHE 99 -2.133 -8.016 3.080 578 HA PHE 99 HA PHE 99 -1.834 -9.232 5.810 579 HB2 PHE 99 HB2 PHE 99 -4.445 -8.662 4.364 580 HB3 PHE 99 HB3 PHE 99 -4.240 -9.178 6.021 581 HD1 PHE 99 HD1 PHE 99 -3.842 -6.366 3.658 582 HD2 PHE 99 HD2 PHE 99 -3.864 -7.522 7.805 583 HE1 PHE 99 HE1 PHE 99 -3.792 -4.016 4.299 584 HE2 PHE 99 HE2 PHE 99 -3.836 -5.124 8.455 585 HZ PHE 99 HZ PHE 99 -3.703 -3.362 6.718 586 H LYS 100 H LYS 100 -2.020 -11.412 5.930 587 HA LYS 100 HA LYS 100 -2.197 -12.998 3.465 588 HB2 LYS 100 HB2 LYS 100 -1.957 -13.926 6.341 589 HB3 LYS 100 HB3 LYS 100 -1.945 -14.954 4.911 590 HG2 LYS 100 HG2 LYS 100 0.248 -14.800 5.077 591 HG3 LYS 100 HG3 LYS 100 0.006 -13.358 4.100 592 HD2 LYS 100 HD2 LYS 100 0.479 -11.906 5.861 593 HD3 LYS 100 HD3 LYS 100 0.022 -13.080 7.100 594 HE2 LYS 100 HE2 LYS 100 2.419 -13.591 5.337 595 HE3 LYS 100 HE3 LYS 100 2.533 -12.585 6.798 596 HZ1 LYS 100 HZ1 LYS 100 1.744 -14.361 8.117 597 HZ2 LYS 100 HZ2 LYS 100 3.018 -14.913 7.268 598 HZ3 LYS 100 HZ3 LYS 100 1.474 -15.356 6.826 599 H LYS 101 H LYS 101 -3.494 -14.858 3.300 600 HA LYS 101 HA LYS 101 -6.280 -14.439 3.057 601 HB2 LYS 101 HB2 LYS 101 -4.548 -16.924 3.018 602 HB3 LYS 101 HB3 LYS 101 -6.269 -16.950 2.610 603 HG2 LYS 101 HG2 LYS 101 -5.947 -15.466 0.736 604 HG3 LYS 101 HG3 LYS 101 -4.270 -15.155 1.178 605 HD2 LYS 101 HD2 LYS 101 -3.730 -17.556 0.750 606 HD3 LYS 101 HD3 LYS 101 -5.403 -17.805 0.196 607 HE2 LYS 101 HE2 LYS 101 -5.052 -16.035 -1.547 608 HE3 LYS 101 HE3 LYS 101 -3.402 -15.806 -0.952 609 HZ1 LYS 101 HZ1 LYS 101 -4.444 -18.212 -2.343 610 HZ2 LYS 101 HZ2 LYS 101 -3.007 -18.194 -1.517 611 HZ3 LYS 101 HZ3 LYS 101 -3.219 -17.229 -2.794 612 H GLY 102 H GLY 102 -6.647 -13.537 5.235 613 HA2 GLY 102 HA2 GLY 102 -8.452 -14.498 6.845 614 HA3 GLY 102 HA3 GLY 102 -7.157 -15.568 7.377 615 H GLU 103 H GLU 103 -5.887 -12.397 6.701 616 HA GLU 103 HA GLU 103 -5.739 -11.883 9.649 617 HB2 GLU 103 HB2 GLU 103 -4.111 -10.971 7.266 618 HB3 GLU 103 HB3 GLU 103 -3.932 -10.253 8.870 619 HG2 GLU 103 HG2 GLU 103 -3.401 -12.522 9.783 620 HG3 GLU 103 HG3 GLU 103 -3.398 -13.142 8.124 621 H SER 104 H SER 104 -5.961 -9.861 10.568 622 HA SER 104 HA SER 104 -6.825 -7.564 8.905 623 HB2 SER 104 HB2 SER 104 -8.269 -8.306 11.462 624 HB3 SER 104 HB3 SER 104 -8.524 -6.848 10.506 625 HG SER 104 HG SER 104 -10.059 -8.533 10.116 626 H LYS 105 H LYS 105 -4.320 -8.437 10.399 627 HA LYS 105 HA LYS 105 -3.624 -5.639 10.825 628 HB2 LYS 105 HB2 LYS 105 -4.078 -6.357 13.133 629 HB3 LYS 105 HB3 LYS 105 -2.914 -7.687 12.957 630 HG2 LYS 105 HG2 LYS 105 -1.074 -6.198 12.869 631 HG3 LYS 105 HG3 LYS 105 -2.076 -4.792 12.559 632 HD2 LYS 105 HD2 LYS 105 -1.265 -4.744 14.868 633 HD3 LYS 105 HD3 LYS 105 -3.020 -4.902 14.832 634 HE2 LYS 105 HE2 LYS 105 -2.869 -7.287 15.219 635 HE3 LYS 105 HE3 LYS 105 -1.094 -7.223 15.116 636 HZ1 LYS 105 HZ1 LYS 105 -1.903 -7.272 17.436 637 HZ2 LYS 105 HZ2 LYS 105 -2.731 -5.874 17.208 638 HZ3 LYS 105 HZ3 LYS 105 -1.103 -5.851 17.138 639 H SER 106 H SER 106 -1.824 -5.261 9.689 640 HA SER 106 HA SER 106 -1.019 -7.287 7.858 641 HB2 SER 106 HB2 SER 106 0.521 -5.637 6.930 642 HB3 SER 106 HB3 SER 106 -1.035 -4.898 7.319 643 HG SER 106 HG SER 106 1.472 -4.671 8.631 644 H SER 107 H SER 107 1.015 -8.257 7.388 645 HA SER 107 HA SER 107 3.137 -8.088 9.506 646 HB2 SER 107 HB2 SER 107 1.779 -10.324 9.439 647 HB3 SER 107 HB3 SER 107 2.706 -10.649 7.979 648 HG SER 107 HG SER 107 3.780 -9.980 10.564 649 H TYR 108 H TYR 108 2.439 -7.390 6.367 650 HA TYR 108 HA TYR 108 5.315 -7.216 5.684 651 HB2 TYR 108 HB2 TYR 108 4.576 -9.170 4.496 652 HB3 TYR 108 HB3 TYR 108 3.167 -8.332 3.872 653 HD1 TYR 108 HD1 TYR 108 6.907 -8.201 3.834 654 HD2 TYR 108 HD2 TYR 108 3.283 -7.450 1.673 655 HE1 TYR 108 HE1 TYR 108 8.237 -7.716 1.759 656 HE2 TYR 108 HE2 TYR 108 4.583 -6.887 -0.349 657 HH TYR 108 HH TYR 108 6.688 -6.929 -1.351 658 H VAL 109 H VAL 109 5.866 -5.425 4.658 659 HA VAL 109 HA VAL 109 3.919 -3.276 4.051 660 HB VAL 109 HB VAL 109 5.475 -1.774 5.554 661 HG11 VAL 109 HG11 VAL 109 3.173 -2.002 6.002 662 HG12 VAL 109 HG12 VAL 109 4.093 -2.111 7.523 663 HG13 VAL 109 HG13 VAL 109 3.411 -3.590 6.779 664 HG21 VAL 109 HG21 VAL 109 6.450 -2.748 7.453 665 HG22 VAL 109 HG22 VAL 109 6.981 -3.745 6.072 666 HG23 VAL 109 HG23 VAL 109 5.716 -4.351 7.139 667 H ILE 110 H ILE 110 4.822 -1.488 3.045 668 HA ILE 110 HA ILE 110 7.666 -1.564 2.216 669 HB ILE 110 HB ILE 110 5.405 -1.364 0.215 670 HG12 ILE 110 HG12 ILE 110 7.113 -3.746 0.940 671 HG13 ILE 110 HG13 ILE 110 5.377 -3.680 1.015 672 HG21 ILE 110 HG21 ILE 110 8.408 -1.788 -0.200 673 HG22 ILE 110 HG22 ILE 110 7.576 -0.218 -0.372 674 HG23 ILE 110 HG23 ILE 110 7.185 -1.529 -1.467 675 HD11 ILE 110 HD11 ILE 110 5.771 -4.948 -0.843 676 HD12 ILE 110 HD12 ILE 110 7.093 -3.919 -1.401 677 HD13 ILE 110 HD13 ILE 110 5.387 -3.346 -1.490 678 H ASN 111 H ASN 111 8.459 0.469 2.183 679 HA ASN 111 HA ASN 111 6.526 2.682 2.725 680 HB2 ASN 111 HB2 ASN 111 9.487 2.496 3.341 681 HB3 ASN 111 HB3 ASN 111 8.358 3.724 3.909 682 HD21 ASN 111 HD21 ASN 111 10.027 2.257 5.667 683 HD22 ASN 111 HD22 ASN 111 8.954 1.257 6.663 684 H GLY 112 H GLY 112 7.250 4.870 1.860 685 HA2 GLY 112 HA2 GLY 112 9.032 4.900 -0.455 686 HA3 GLY 112 HA3 GLY 112 7.321 4.890 -0.878 687 HA PRO 113 HA PRO 113 8.920 9.208 -0.208 688 HB2 PRO 113 HB2 PRO 113 8.208 10.341 -2.577 689 HB3 PRO 113 HB3 PRO 113 9.684 9.360 -2.374 690 HG2 PRO 113 HG2 PRO 113 7.004 8.418 -3.442 691 HG3 PRO 113 HG3 PRO 113 8.611 8.189 -4.167 692 HD2 PRO 113 HD2 PRO 113 7.362 6.309 -2.609 693 HD3 PRO 113 HD3 PRO 113 9.135 6.507 -2.574 694 H GLY 114 H GLY 114 7.746 10.666 0.765 695 HA2 GLY 114 HA2 GLY 114 5.474 11.960 0.312 696 HA3 GLY 114 HA3 GLY 114 4.812 10.485 1.005 697 H LYS 115 H LYS 115 7.265 10.280 2.825 698 HA LYS 115 HA LYS 115 7.874 10.664 4.904 699 HB2 LYS 115 HB2 LYS 115 8.819 12.620 3.676 700 HB3 LYS 115 HB3 LYS 115 7.490 13.610 4.294 701 HG2 LYS 115 HG2 LYS 115 8.222 13.227 6.593 702 HG3 LYS 115 HG3 LYS 115 9.442 12.058 6.055 703 HD2 LYS 115 HD2 LYS 115 10.685 13.838 4.911 704 HD3 LYS 115 HD3 LYS 115 9.429 15.021 5.342 705 HE2 LYS 115 HE2 LYS 115 9.843 14.594 7.753 706 HE3 LYS 115 HE3 LYS 115 11.078 13.399 7.336 707 HZ1 LYS 115 HZ1 LYS 115 12.401 15.139 6.350 708 HZ2 LYS 115 HZ2 LYS 115 12.036 15.590 7.877 709 HZ3 LYS 115 HZ3 LYS 115 11.236 16.276 6.614 710 H THR 116 H THR 116 4.651 11.937 4.347 711 HA THR 116 HA THR 116 3.759 11.001 6.938 712 HB THR 116 HB THR 116 4.632 13.137 7.695 713 HG1 THR 116 HG1 THR 116 2.832 13.859 8.614 714 HG21 THR 116 HG21 THR 116 3.720 15.289 6.851 715 HG22 THR 116 HG22 THR 116 2.926 14.425 5.520 716 HG23 THR 116 HG23 THR 116 4.696 14.455 5.633 717 H ASN 117 H ASN 117 1.330 11.203 7.065 718 HA ASN 117 HA ASN 117 0.084 11.272 4.395 719 HB2 ASN 117 HB2 ASN 117 -1.048 10.756 7.182 720 HB3 ASN 117 HB3 ASN 117 -1.943 10.642 5.669 721 HD21 ASN 117 HD21 ASN 117 -0.533 9.251 3.952 722 HD22 ASN 117 HD22 ASN 117 0.121 7.753 4.628 723 H GLU 118 H GLU 118 0.671 13.530 6.995 724 HA GLU 118 HA GLU 118 -1.601 15.282 6.447 725 HB2 GLU 118 HB2 GLU 118 0.989 15.771 7.970 726 HB3 GLU 118 HB3 GLU 118 -0.428 16.829 7.971 727 HG2 GLU 118 HG2 GLU 118 -1.773 15.013 8.999 728 HG3 GLU 118 HG3 GLU 118 -0.338 13.977 9.046 729 H TYR 119 H TYR 119 -1.716 16.284 4.490 730 HA TYR 119 HA TYR 119 -0.329 16.911 2.479 731 HB2 TYR 119 HB2 TYR 119 -1.417 18.962 2.084 732 HB3 TYR 119 HB3 TYR 119 -2.496 17.820 2.833 733 HD1 TYR 119 HD1 TYR 119 -2.630 18.118 5.578 734 HD2 TYR 119 HD2 TYR 119 -1.676 21.174 2.713 735 HE1 TYR 119 HE1 TYR 119 -3.503 19.828 7.133 736 HE2 TYR 119 HE2 TYR 119 -2.517 22.913 4.301 737 HH TYR 119 HH TYR 119 -3.736 22.033 7.570 738 H ALA 120 H ALA 120 1.808 16.908 2.341 739 HA ALA 120 HA ALA 120 3.639 18.568 3.742 740 HB1 ALA 120 HB1 ALA 120 4.193 16.380 2.788 741 HB2 ALA 120 HB2 ALA 120 5.242 17.634 2.105 742 HB3 ALA 120 HB3 ALA 120 3.893 16.993 1.146 743 H TYR 121 H TYR 121 2.815 20.696 3.565 744 HA TYR 121 HA TYR 121 3.263 22.107 0.966 745 HB2 TYR 121 HB2 TYR 121 0.915 21.431 1.385 746 HB3 TYR 121 HB3 TYR 121 0.932 22.306 2.899 747 HD1 TYR 121 HD1 TYR 121 2.613 24.060 0.102 748 HD2 TYR 121 HD2 TYR 121 -1.159 23.269 2.035 749 HE1 TYR 121 HE1 TYR 121 1.607 26.029 -1.033 750 HE2 TYR 121 HE2 TYR 121 -2.169 25.191 0.873 751 HH TYR 121 HH TYR 121 -1.878 26.815 -0.643 752 H1 ACE 6 H1 ACE 6 21.521 -2.965 -7.001 753 H2 ACE 6 H2 ACE 6 22.694 -2.040 -7.975 754 H3 ACE 6 H3 ACE 6 22.649 -3.810 -8.064 755 H THR 7 H THR 7 19.423 -1.951 -9.851 756 HA THR 7 HA THR 7 20.175 -1.144 -7.133 757 HB THR 7 HB THR 7 21.880 0.018 -8.393 758 HG1 THR 7 HG1 THR 7 21.583 1.544 -7.173 759 HG21 THR 7 HG21 THR 7 19.721 1.395 -10.027 760 HG22 THR 7 HG22 THR 7 20.889 0.199 -10.633 761 HG23 THR 7 HG23 THR 7 21.455 1.757 -10.018 762 H THR 8 H THR 8 18.350 -0.442 -6.091 763 HA THR 8 HA THR 8 16.256 0.947 -7.543 764 HB THR 8 HB THR 8 15.707 -1.360 -8.143 765 HG1 THR 8 HG1 THR 8 13.785 -0.470 -6.283 766 HG21 THR 8 HG21 THR 8 16.496 -2.490 -6.041 767 HG22 THR 8 HG22 THR 8 15.066 -1.826 -5.217 768 HG23 THR 8 HG23 THR 8 14.867 -2.960 -6.568 769 HA PRO 9 HA PRO 9 15.076 2.379 -3.308 770 HB2 PRO 9 HB2 PRO 9 12.440 2.485 -4.780 771 HB3 PRO 9 HB3 PRO 9 13.164 3.717 -3.694 772 HG2 PRO 9 HG2 PRO 9 13.158 4.063 -6.378 773 HG3 PRO 9 HG3 PRO 9 14.633 4.454 -5.424 774 HD2 PRO 9 HD2 PRO 9 14.051 1.936 -7.006 775 HD3 PRO 9 HD3 PRO 9 15.533 2.947 -6.982 776 H ASP 10 H ASP 10 14.064 1.186 -1.663 777 HA ASP 10 HA ASP 10 13.092 -0.596 -0.580 778 HB2 ASP 10 HB2 ASP 10 10.916 0.417 -2.397 779 HB3 ASP 10 HB3 ASP 10 10.700 -0.388 -0.832 780 HN2 TYS 11 HN2 TYS 11 10.932 -1.991 -1.685 781 HA TYS 11 HA TYS 11 10.293 -3.890 -2.793 782 HB2 TYS 11 HB2 TYS 11 13.055 -4.383 -3.791 783 HB3 TYS 11 HB3 TYS 11 11.798 -5.597 -3.775 784 HD1 TYS 11 HD1 TYS 11 9.607 -5.251 -4.916 785 HD2 TYS 11 HD2 TYS 11 12.714 -2.303 -5.090 786 HE1 TYS 11 HE1 TYS 11 8.419 -4.141 -6.656 787 HE2 TYS 11 HE2 TYS 11 11.339 -0.989 -6.659 788 H GLY 12 H GLY 12 9.767 -3.626 -0.806 789 HA2 GLY 12 HA2 GLY 12 8.534 -5.034 0.482 790 HA3 GLY 12 HA3 GLY 12 9.490 -6.330 -0.058 791 H HIS 13 H HIS 13 8.454 -5.208 2.784 792 HA HIS 13 HA HIS 13 10.520 -6.889 3.948 793 HB2 HIS 13 HB2 HIS 13 11.061 -5.556 5.826 794 HB3 HIS 13 HB3 HIS 13 11.606 -4.755 4.361 795 HD1 HIS 13 HD1 HIS 13 9.878 -2.732 3.444 796 HD2 HIS 13 HD2 HIS 13 9.411 -4.093 7.421 797 HE1 HIS 13 HE1 HIS 13 8.504 -0.928 4.689 798 HE2 HIS 13 HE2 HIS 13 8.551 -1.582 7.175 799 HN2 TYS 14 HN2 TYS 14 10.034 -7.760 5.918 800 HA TYS 14 HA TYS 14 7.138 -7.735 6.600 801 HB2 TYS 14 HB2 TYS 14 9.409 -9.743 6.852 802 HB3 TYS 14 HB3 TYS 14 7.984 -9.896 7.822 803 HD1 TYS 14 HD1 TYS 14 9.017 -9.761 4.116 804 HD2 TYS 14 HD2 TYS 14 5.966 -10.766 7.035 805 HE1 TYS 14 HE1 TYS 14 8.115 -11.361 2.622 806 HE2 TYS 14 HE2 TYS 14 5.032 -12.383 5.479 807 H ASP 15 H ASP 15 6.337 -7.089 8.417 808 HA ASP 15 HA ASP 15 8.111 -6.316 10.646 809 HB2 ASP 15 HB2 ASP 15 8.016 -4.412 8.900 810 HB3 ASP 15 HB3 ASP 15 6.358 -4.195 9.385 811 H ASP 16 H ASP 16 7.117 -6.174 12.533 812 HA ASP 16 HA ASP 16 4.153 -6.625 12.669 813 HB2 ASP 16 HB2 ASP 16 6.290 -8.216 14.123 814 HB3 ASP 16 HB3 ASP 16 4.569 -8.298 14.494 815 H LYS 17 H LYS 17 6.042 -4.225 13.289 816 HA LYS 17 HA LYS 17 4.357 -3.542 15.655 817 HB2 LYS 17 HB2 LYS 17 5.938 -2.221 16.719 818 HB3 LYS 17 HB3 LYS 17 6.635 -3.818 16.536 819 HG2 LYS 17 HG2 LYS 17 7.321 -1.496 14.682 820 HG3 LYS 17 HG3 LYS 17 8.115 -1.743 16.223 821 HD2 LYS 17 HD2 LYS 17 8.926 -3.929 15.554 822 HD3 LYS 17 HD3 LYS 17 8.143 -3.807 13.986 823 HE2 LYS 17 HE2 LYS 17 10.226 -1.857 15.049 824 HE3 LYS 17 HE3 LYS 17 10.605 -3.235 14.014 825 HZ1 LYS 17 HZ1 LYS 17 10.400 -1.216 12.723 826 HZ2 LYS 17 HZ2 LYS 17 8.833 -0.982 13.201 827 HZ3 LYS 17 HZ3 LYS 17 9.220 -2.279 12.288 828 H ASP 18 H ASP 18 5.931 -2.351 12.716 829 HA ASP 18 HA ASP 18 4.696 0.271 12.835 830 HB2 ASP 18 HB2 ASP 18 6.018 -1.365 10.628 831 HB3 ASP 18 HB3 ASP 18 5.292 0.193 10.334 832 H THR 19 H THR 19 3.313 -2.742 12.265 833 HA THR 19 HA THR 19 1.748 -2.781 10.092 834 HB THR 19 HB THR 19 1.811 -4.676 11.643 835 HG1 THR 19 HG1 THR 19 0.164 -4.697 10.332 836 HG21 THR 19 HG21 THR 19 0.018 -3.169 13.530 837 HG22 THR 19 HG22 THR 19 1.766 -3.379 13.794 838 HG23 THR 19 HG23 THR 19 0.736 -4.801 13.693 839 H LEU 20 H LEU 20 -0.487 -2.556 9.523 840 HA LEU 20 HA LEU 20 -2.000 -0.439 10.944 841 HB2 LEU 20 HB2 LEU 20 -1.676 0.268 8.611 842 HB3 LEU 20 HB3 LEU 20 -2.156 -1.341 8.051 843 HG LEU 20 HG LEU 20 -4.430 -0.921 9.015 844 HD11 LEU 20 HD11 LEU 20 -5.081 1.436 9.499 845 HD12 LEU 20 HD12 LEU 20 -3.366 1.903 9.449 846 HD13 LEU 20 HD13 LEU 20 -3.966 0.789 10.700 847 HD21 LEU 20 HD21 LEU 20 -3.919 -0.580 6.718 848 HD22 LEU 20 HD22 LEU 20 -3.382 1.087 6.983 849 HD23 LEU 20 HD23 LEU 20 -5.097 0.633 7.214 850 H ASP 21 H ASP 21 -3.683 -1.082 11.904 851 HA ASP 21 HA ASP 21 -4.425 -3.881 12.234 852 HB2 ASP 21 HB2 ASP 21 -5.124 -2.966 14.470 853 HB3 ASP 21 HB3 ASP 21 -3.415 -2.759 14.103 854 H LEU 22 H LEU 22 -5.933 -4.009 10.564 855 HA LEU 22 HA LEU 22 -8.097 -2.214 10.011 856 HB2 LEU 22 HB2 LEU 22 -6.940 -4.767 9.026 857 HB3 LEU 22 HB3 LEU 22 -8.678 -4.681 8.817 858 HG LEU 22 HG LEU 22 -8.435 -2.635 7.487 859 HD11 LEU 22 HD11 LEU 22 -6.507 -1.550 8.454 860 HD12 LEU 22 HD12 LEU 22 -6.091 -1.980 6.785 861 HD13 LEU 22 HD13 LEU 22 -5.472 -2.964 8.138 862 HD21 LEU 22 HD21 LEU 22 -7.208 -3.692 5.615 863 HD22 LEU 22 HD22 LEU 22 -8.215 -4.875 6.491 864 HD23 LEU 22 HD23 LEU 22 -6.463 -4.846 6.746 865 H ASN 23 H ASN 23 -8.076 -3.418 12.863 866 HA ASN 23 HA ASN 23 -10.857 -4.529 12.894 867 HB2 ASN 23 HB2 ASN 23 -10.130 -6.407 14.178 868 HB3 ASN 23 HB3 ASN 23 -9.073 -6.324 12.776 869 HD21 ASN 23 HD21 ASN 23 -6.785 -5.928 13.156 870 HD22 ASN 23 HD22 ASN 23 -6.177 -5.786 14.817 871 H THR 24 H THR 24 -8.907 -2.147 14.340 872 HA THR 24 HA THR 24 -10.764 -1.870 16.592 873 HB THR 24 HB THR 24 -9.200 -3.548 17.458 874 HG1 THR 24 HG1 THR 24 -9.938 -2.204 18.966 875 HG21 THR 24 HG21 THR 24 -6.999 -1.473 17.108 876 HG22 THR 24 HG22 THR 24 -7.157 -2.979 16.165 877 HG23 THR 24 HG23 THR 24 -6.864 -3.050 17.909 878 HA PRO 25 HA PRO 25 -9.035 2.373 16.199 879 HB2 PRO 25 HB2 PRO 25 -10.623 3.701 17.905 880 HB3 PRO 25 HB3 PRO 25 -11.334 2.913 16.462 881 HG2 PRO 25 HG2 PRO 25 -11.148 1.790 19.284 882 HG3 PRO 25 HG3 PRO 25 -12.625 1.946 18.270 883 HD2 PRO 25 HD2 PRO 25 -11.126 -0.353 18.417 884 HD3 PRO 25 HD3 PRO 25 -11.971 0.139 16.920 885 H VAL 26 H VAL 26 -8.095 3.974 17.512 886 HA VAL 26 HA VAL 26 -6.613 4.863 18.834 887 HB VAL 26 HB VAL 26 -8.664 5.254 19.996 888 HG11 VAL 26 HG11 VAL 26 -7.955 2.943 21.840 889 HG12 VAL 26 HG12 VAL 26 -9.377 3.073 20.782 890 HG13 VAL 26 HG13 VAL 26 -9.196 4.168 22.148 891 HG21 VAL 26 HG21 VAL 26 -7.740 6.066 22.082 892 HG22 VAL 26 HG22 VAL 26 -6.578 6.311 20.777 893 HG23 VAL 26 HG23 VAL 26 -6.345 4.983 21.938 894 H ASP 27 H ASP 27 -4.647 4.765 19.410 895 HA ASP 27 HA ASP 27 -3.562 2.378 20.898 896 HB2 ASP 27 HB2 ASP 27 -2.249 4.096 18.764 897 HB3 ASP 27 HB3 ASP 27 -1.398 2.915 19.752 898 H LYS 28 H LYS 28 -3.759 5.898 20.744 899 HA LYS 28 HA LYS 28 -1.628 6.321 22.741 900 HB2 LYS 28 HB2 LYS 28 -3.747 8.210 21.612 901 HB3 LYS 28 HB3 LYS 28 -2.412 8.686 22.654 902 HG2 LYS 28 HG2 LYS 28 -2.235 7.610 19.811 903 HG3 LYS 28 HG3 LYS 28 -1.877 9.240 20.357 904 HD2 LYS 28 HD2 LYS 28 -0.273 6.729 21.025 905 HD3 LYS 28 HD3 LYS 28 0.162 7.980 19.865 906 HE2 LYS 28 HE2 LYS 28 0.373 9.656 21.613 907 HE3 LYS 28 HE3 LYS 28 -0.261 8.544 22.828 908 HZ1 LYS 28 HZ1 LYS 28 1.691 7.164 22.557 909 HZ2 LYS 28 HZ2 LYS 28 2.132 8.694 22.921 910 HZ3 LYS 28 HZ3 LYS 28 2.289 8.138 21.368 911 HN1 NH2 29 HN1 NH2 29 -1.868 7.004 24.887 912 HN2 NH2 29 HN2 NH2 29 -3.346 6.671 25.759 Start of MODEL 2 1 H1 ASN 31 H1 ASN 31 10.437 18.384 -19.562 2 H2 ASN 31 H2 ASN 31 10.109 19.748 -18.700 3 H3 ASN 31 H3 ASN 31 11.546 18.968 -18.491 4 HA ASN 31 HA ASN 31 10.441 17.054 -17.581 5 HB2 ASN 31 HB2 ASN 31 9.523 19.622 -16.199 6 HB3 ASN 31 HB3 ASN 31 9.558 18.014 -15.480 7 HD21 ASN 31 HD21 ASN 31 10.860 19.786 -14.014 8 HD22 ASN 31 HD22 ASN 31 12.595 19.557 -14.205 9 H SER 32 H SER 32 8.539 15.901 -17.238 10 HA SER 32 HA SER 32 5.960 17.244 -17.772 11 HB2 SER 32 HB2 SER 32 6.855 16.165 -19.906 12 HB3 SER 32 HB3 SER 32 6.493 14.607 -19.135 13 HG SER 32 HG SER 32 4.832 15.574 -20.467 14 H GLY 33 H GLY 33 7.729 14.841 -15.998 15 HA2 GLY 33 HA2 GLY 33 7.083 14.340 -13.821 16 HA3 GLY 33 HA3 GLY 33 5.401 14.655 -14.197 17 H LEU 34 H LEU 34 5.387 12.723 -12.745 18 HA LEU 34 HA LEU 34 5.671 10.098 -14.162 19 HB2 LEU 34 HB2 LEU 34 5.884 10.832 -11.212 20 HB3 LEU 34 HB3 LEU 34 6.079 9.212 -11.849 21 HG LEU 34 HG LEU 34 7.917 11.562 -12.446 22 HD11 LEU 34 HD11 LEU 34 9.529 10.339 -11.061 23 HD12 LEU 34 HD12 LEU 34 8.317 9.086 -10.718 24 HD13 LEU 34 HD13 LEU 34 8.085 10.756 -10.134 25 HD21 LEU 34 HD21 LEU 34 8.143 8.614 -13.200 26 HD22 LEU 34 HD22 LEU 34 9.408 9.838 -13.431 27 HD23 LEU 34 HD23 LEU 34 7.903 9.966 -14.334 28 HA PRO 35 HA PRO 35 1.465 8.908 -13.742 29 HB2 PRO 35 HB2 PRO 35 2.341 6.771 -11.829 30 HB3 PRO 35 HB3 PRO 35 1.154 6.640 -13.161 31 HG2 PRO 35 HG2 PRO 35 3.669 5.787 -13.560 32 HG3 PRO 35 HG3 PRO 35 2.905 6.831 -14.808 33 HD2 PRO 35 HD2 PRO 35 4.883 7.587 -12.663 34 HD3 PRO 35 HD3 PRO 35 4.830 8.096 -14.378 35 H THR 36 H THR 36 -0.426 8.901 -12.534 36 HA THR 36 HA THR 36 -0.411 9.282 -9.613 37 HB THR 36 HB THR 36 -0.069 11.544 -10.482 38 HG1 THR 36 HG1 THR 36 -2.624 11.169 -9.389 39 HG21 THR 36 HG21 THR 36 -1.866 12.761 -11.625 40 HG22 THR 36 HG22 THR 36 -2.841 11.283 -11.742 41 HG23 THR 36 HG23 THR 36 -1.308 11.421 -12.632 42 H THR 37 H THR 37 -1.631 7.490 -11.951 43 HA THR 37 HA THR 37 -4.371 7.377 -10.783 44 HB THR 37 HB THR 37 -4.783 5.628 -12.502 45 HG1 THR 37 HG1 THR 37 -3.342 5.102 -13.893 46 HG21 THR 37 HG21 THR 37 -5.471 7.975 -12.852 47 HG22 THR 37 HG22 THR 37 -5.033 7.170 -14.373 48 HG23 THR 37 HG23 THR 37 -3.907 8.320 -13.618 49 H LEU 38 H LEU 38 -5.119 5.595 -9.649 50 HA LEU 38 HA LEU 38 -3.202 4.197 -8.101 51 HB2 LEU 38 HB2 LEU 38 -5.485 4.889 -7.372 52 HB3 LEU 38 HB3 LEU 38 -6.146 3.810 -8.591 53 HG LEU 38 HG LEU 38 -5.277 1.887 -7.480 54 HD11 LEU 38 HD11 LEU 38 -4.457 3.696 -5.175 55 HD12 LEU 38 HD12 LEU 38 -3.333 2.837 -6.264 56 HD13 LEU 38 HD13 LEU 38 -4.402 1.924 -5.201 57 HD21 LEU 38 HD21 LEU 38 -6.917 3.658 -5.632 58 HD22 LEU 38 HD22 LEU 38 -6.817 1.883 -5.547 59 HD23 LEU 38 HD23 LEU 38 -7.548 2.659 -6.961 60 H GLY 39 H GLY 39 -4.991 3.162 -11.062 61 HA2 GLY 39 HA2 GLY 39 -4.460 0.407 -10.957 62 HA3 GLY 39 HA3 GLY 39 -4.590 1.349 -12.445 63 H LYS 40 H LYS 40 -2.274 2.958 -12.272 64 HA LYS 40 HA LYS 40 -0.160 1.129 -13.042 65 HB2 LYS 40 HB2 LYS 40 -0.082 4.102 -12.362 66 HB3 LYS 40 HB3 LYS 40 1.230 3.206 -13.126 67 HG2 LYS 40 HG2 LYS 40 -1.540 3.584 -14.339 68 HG3 LYS 40 HG3 LYS 40 -0.128 4.558 -14.717 69 HD2 LYS 40 HD2 LYS 40 1.037 2.623 -15.652 70 HD3 LYS 40 HD3 LYS 40 -0.291 1.546 -15.185 71 HE2 LYS 40 HE2 LYS 40 -1.841 2.648 -16.666 72 HE3 LYS 40 HE3 LYS 40 -0.669 3.912 -17.061 73 HZ1 LYS 40 HZ1 LYS 40 -0.101 1.061 -17.605 74 HZ2 LYS 40 HZ2 LYS 40 0.643 2.386 -18.237 75 HZ3 LYS 40 HZ3 LYS 40 -0.883 2.001 -18.710 76 H LEU 41 H LEU 41 -0.880 2.825 -10.031 77 HA LEU 41 HA LEU 41 1.533 2.031 -8.662 78 HB2 LEU 41 HB2 LEU 41 0.137 3.988 -8.127 79 HB3 LEU 41 HB3 LEU 41 -1.162 2.950 -7.558 80 HG LEU 41 HG LEU 41 1.595 2.642 -6.360 81 HD11 LEU 41 HD11 LEU 41 0.958 4.391 -4.669 82 HD12 LEU 41 HD12 LEU 41 -0.435 4.823 -5.669 83 HD13 LEU 41 HD13 LEU 41 1.220 5.065 -6.287 84 HD21 LEU 41 HD21 LEU 41 -1.188 2.558 -5.112 85 HD22 LEU 41 HD22 LEU 41 0.347 2.154 -4.305 86 HD23 LEU 41 HD23 LEU 41 -0.265 1.131 -5.611 87 H ASP 42 H ASP 42 -1.766 0.610 -8.787 88 HA ASP 42 HA ASP 42 -1.309 -1.641 -7.080 89 HB2 ASP 42 HB2 ASP 42 -3.549 -1.075 -7.697 90 HB3 ASP 42 HB3 ASP 42 -3.165 -1.028 -9.411 91 H GLU 43 H GLU 43 -0.654 -1.260 -10.567 92 HA GLU 43 HA GLU 43 0.348 -3.936 -10.985 93 HB2 GLU 43 HB2 GLU 43 -0.236 -2.322 -12.800 94 HB3 GLU 43 HB3 GLU 43 1.127 -1.315 -12.327 95 HG2 GLU 43 HG2 GLU 43 2.629 -3.370 -12.785 96 HG3 GLU 43 HG3 GLU 43 1.210 -4.095 -13.546 97 H ARG 44 H ARG 44 1.891 -0.896 -9.880 98 HA ARG 44 HA ARG 44 4.545 -1.986 -9.696 99 HB2 ARG 44 HB2 ARG 44 3.607 0.538 -9.639 100 HB3 ARG 44 HB3 ARG 44 3.632 0.263 -7.905 101 HG2 ARG 44 HG2 ARG 44 5.679 1.274 -8.439 102 HG3 ARG 44 HG3 ARG 44 6.100 -0.415 -8.160 103 HD2 ARG 44 HD2 ARG 44 5.511 0.638 -10.963 104 HD3 ARG 44 HD3 ARG 44 7.071 0.912 -10.202 105 HE ARG 44 HE ARG 44 7.178 -1.630 -9.900 106 HH11 ARG 44 HH11 ARG 44 5.428 -0.419 -12.723 107 HH12 ARG 44 HH12 ARG 44 6.250 -1.558 -13.771 108 HH21 ARG 44 HH21 ARG 44 8.279 -2.859 -11.352 109 HH22 ARG 44 HH22 ARG 44 7.772 -2.907 -13.017 110 H LEU 45 H LEU 45 1.966 -1.643 -7.211 111 HA LEU 45 HA LEU 45 3.506 -2.837 -5.101 112 HB2 LEU 45 HB2 LEU 45 0.516 -2.566 -5.544 113 HB3 LEU 45 HB3 LEU 45 1.226 -3.226 -4.075 114 HG LEU 45 HG LEU 45 1.657 -0.390 -5.110 115 HD11 LEU 45 HD11 LEU 45 -0.587 -0.771 -4.243 116 HD12 LEU 45 HD12 LEU 45 0.345 0.178 -3.064 117 HD13 LEU 45 HD13 LEU 45 0.060 -1.552 -2.797 118 HD21 LEU 45 HD21 LEU 45 2.672 -0.011 -2.850 119 HD22 LEU 45 HD22 LEU 45 3.658 -1.008 -3.912 120 HD23 LEU 45 HD23 LEU 45 2.709 -1.762 -2.606 121 H ARG 46 H ARG 46 1.386 -4.334 -7.546 122 HA ARG 46 HA ARG 46 1.668 -7.036 -6.507 123 HB2 ARG 46 HB2 ARG 46 0.894 -5.901 -9.220 124 HB3 ARG 46 HB3 ARG 46 0.953 -7.638 -8.895 125 HG2 ARG 46 HG2 ARG 46 -0.684 -7.400 -7.060 126 HG3 ARG 46 HG3 ARG 46 -0.719 -5.651 -7.298 127 HD2 ARG 46 HD2 ARG 46 -1.415 -6.216 -9.746 128 HD3 ARG 46 HD3 ARG 46 -1.797 -7.824 -9.115 129 HE ARG 46 HE ARG 46 -3.024 -5.196 -8.313 130 HH11 ARG 46 HH11 ARG 46 -3.453 -8.714 -8.190 131 HH12 ARG 46 HH12 ARG 46 -5.197 -8.479 -8.014 132 HH21 ARG 46 HH21 ARG 46 -4.937 -5.084 -7.638 133 HH22 ARG 46 HH22 ARG 46 -5.952 -6.527 -7.372 134 H ASN 47 H ASN 47 3.709 -5.016 -8.571 135 HA ASN 47 HA ASN 47 5.674 -7.164 -9.067 136 HB2 ASN 47 HB2 ASN 47 5.699 -4.152 -9.434 137 HB3 ASN 47 HB3 ASN 47 7.170 -5.085 -9.467 138 HD21 ASN 47 HD21 ASN 47 4.198 -4.368 -11.201 139 HD22 ASN 47 HD22 ASN 47 4.824 -5.055 -12.713 140 H TYR 48 H TYR 48 5.513 -4.450 -6.646 141 HA TYR 48 HA TYR 48 7.792 -5.135 -5.266 142 HB2 TYR 48 HB2 TYR 48 5.214 -3.872 -4.375 143 HB3 TYR 48 HB3 TYR 48 6.365 -4.311 -3.220 144 HD1 TYR 48 HD1 TYR 48 8.458 -3.159 -2.916 145 HD2 TYR 48 HD2 TYR 48 5.495 -1.784 -5.693 146 HE1 TYR 48 HE1 TYR 48 9.546 -0.940 -2.997 147 HE2 TYR 48 HE2 TYR 48 6.539 0.466 -5.709 148 HH TYR 48 HH TYR 48 9.487 1.175 -3.762 149 H LEU 49 H LEU 49 4.635 -6.726 -4.858 150 HA LEU 49 HA LEU 49 5.500 -8.315 -2.631 151 HB2 LEU 49 HB2 LEU 49 3.297 -8.447 -4.693 152 HB3 LEU 49 HB3 LEU 49 3.639 -9.922 -3.805 153 HG LEU 49 HG LEU 49 3.139 -7.285 -2.412 154 HD11 LEU 49 HD11 LEU 49 0.868 -8.239 -1.968 155 HD12 LEU 49 HD12 LEU 49 1.220 -9.572 -3.078 156 HD13 LEU 49 HD13 LEU 49 1.130 -7.898 -3.686 157 HD21 LEU 49 HD21 LEU 49 4.276 -8.928 -1.020 158 HD22 LEU 49 HD22 LEU 49 3.071 -10.164 -1.417 159 HD23 LEU 49 HD23 LEU 49 2.625 -8.726 -0.467 160 H LYS 50 H LYS 50 5.606 -9.125 -6.128 161 HA LYS 50 HA LYS 50 6.793 -11.732 -5.626 162 HB2 LYS 50 HB2 LYS 50 6.872 -10.062 -8.167 163 HB3 LYS 50 HB3 LYS 50 7.223 -11.795 -7.973 164 HG2 LYS 50 HG2 LYS 50 4.935 -12.294 -7.385 165 HG3 LYS 50 HG3 LYS 50 4.494 -10.588 -7.353 166 HD2 LYS 50 HD2 LYS 50 5.400 -12.090 -9.843 167 HD3 LYS 50 HD3 LYS 50 3.723 -11.743 -9.391 168 HE2 LYS 50 HE2 LYS 50 4.411 -9.253 -9.342 169 HE3 LYS 50 HE3 LYS 50 5.904 -9.749 -10.147 170 HZ1 LYS 50 HZ1 LYS 50 4.457 -10.738 -11.912 171 HZ2 LYS 50 HZ2 LYS 50 4.253 -9.101 -11.774 172 HZ3 LYS 50 HZ3 LYS 50 3.135 -10.128 -11.161 173 H LYS 51 H LYS 51 8.141 -8.593 -6.583 174 HA LYS 51 HA LYS 51 10.946 -9.189 -6.584 175 HB2 LYS 51 HB2 LYS 51 9.318 -6.702 -5.985 176 HB3 LYS 51 HB3 LYS 51 11.072 -6.715 -6.026 177 HG2 LYS 51 HG2 LYS 51 9.553 -7.662 -8.460 178 HG3 LYS 51 HG3 LYS 51 9.729 -5.939 -8.124 179 HD2 LYS 51 HD2 LYS 51 12.187 -6.200 -7.947 180 HD3 LYS 51 HD3 LYS 51 12.049 -7.902 -8.365 181 HE2 LYS 51 HE2 LYS 51 11.018 -5.641 -10.149 182 HE3 LYS 51 HE3 LYS 51 12.686 -6.215 -10.210 183 HZ1 LYS 51 HZ1 LYS 51 10.298 -7.882 -10.775 184 HZ2 LYS 51 HZ2 LYS 51 11.387 -7.315 -11.861 185 HZ3 LYS 51 HZ3 LYS 51 11.861 -8.434 -10.735 186 H GLY 52 H GLY 52 8.725 -8.610 -3.860 187 HA2 GLY 52 HA2 GLY 52 11.044 -8.067 -2.090 188 HA3 GLY 52 HA3 GLY 52 9.420 -7.428 -1.983 189 H THR 53 H THR 53 8.419 -10.422 -2.311 190 HA THR 53 HA THR 53 8.956 -11.268 0.497 191 HB THR 53 HB THR 53 6.789 -12.137 0.587 192 HG1 THR 53 HG1 THR 53 6.484 -11.315 -2.155 193 HG21 THR 53 HG21 THR 53 5.368 -10.249 0.482 194 HG22 THR 53 HG22 THR 53 6.454 -9.423 -0.672 195 HG23 THR 53 HG23 THR 53 6.969 -9.722 0.998 196 H LYS 54 H LYS 54 8.841 -13.585 0.900 197 HA LYS 54 HA LYS 54 10.332 -15.076 -1.050 198 HB2 LYS 54 HB2 LYS 54 8.959 -15.922 1.534 199 HB3 LYS 54 HB3 LYS 54 9.995 -16.980 0.570 200 HG2 LYS 54 HG2 LYS 54 11.893 -15.507 0.823 201 HG3 LYS 54 HG3 LYS 54 10.928 -14.283 1.647 202 HD2 LYS 54 HD2 LYS 54 10.512 -15.792 3.523 203 HD3 LYS 54 HD3 LYS 54 11.475 -17.075 2.751 204 HE2 LYS 54 HE2 LYS 54 12.519 -14.279 3.385 205 HE3 LYS 54 HE3 LYS 54 12.661 -15.632 4.513 206 HZ1 LYS 54 HZ1 LYS 54 14.657 -15.307 3.114 207 HZ2 LYS 54 HZ2 LYS 54 14.052 -16.797 3.009 208 HZ3 LYS 54 HZ3 LYS 54 13.812 -15.730 1.768 209 H ASN 55 H ASN 55 6.926 -15.102 -0.072 210 HA ASN 55 HA ASN 55 6.128 -16.392 -2.566 211 HB2 ASN 55 HB2 ASN 55 6.653 -18.277 -0.975 212 HB3 ASN 55 HB3 ASN 55 5.616 -17.531 0.244 213 HD21 ASN 55 HD21 ASN 55 4.158 -19.252 0.447 214 HD22 ASN 55 HD22 ASN 55 3.122 -19.762 -0.874 215 H SER 56 H SER 56 5.114 -14.526 -3.109 216 HA SER 56 HA SER 56 3.430 -12.950 -1.515 217 HB2 SER 56 HB2 SER 56 2.611 -12.022 -3.678 218 HB3 SER 56 HB3 SER 56 4.376 -12.078 -3.510 219 HG SER 56 HG SER 56 4.490 -13.783 -4.866 220 H ALA 57 H ALA 57 2.597 -15.993 -3.021 221 HA ALA 57 HA ALA 57 -0.114 -15.670 -3.503 222 HB1 ALA 57 HB1 ALA 57 -0.187 -18.116 -3.460 223 HB2 ALA 57 HB2 ALA 57 1.339 -18.177 -2.549 224 HB3 ALA 57 HB3 ALA 57 1.314 -17.569 -4.219 225 H GLN 58 H GLN 58 1.283 -15.928 -0.335 226 HA GLN 58 HA GLN 58 -1.087 -16.943 1.022 227 HB2 GLN 58 HB2 GLN 58 0.164 -16.528 3.050 228 HB3 GLN 58 HB3 GLN 58 1.206 -17.306 1.858 229 HG2 GLN 58 HG2 GLN 58 2.143 -14.980 1.306 230 HG3 GLN 58 HG3 GLN 58 1.229 -14.351 2.641 231 HE21 GLN 58 HE21 GLN 58 4.229 -15.274 1.735 232 HE22 GLN 58 HE22 GLN 58 4.831 -15.686 3.313 233 H PHE 59 H PHE 59 -0.071 -13.810 -0.078 234 HA PHE 59 HA PHE 59 -1.681 -12.246 1.791 235 HB2 PHE 59 HB2 PHE 59 -0.167 -11.493 -0.711 236 HB3 PHE 59 HB3 PHE 59 -1.032 -10.369 0.325 237 HD1 PHE 59 HD1 PHE 59 -0.350 -10.082 2.741 238 HD2 PHE 59 HD2 PHE 59 2.038 -12.309 -0.041 239 HE1 PHE 59 HE1 PHE 59 1.597 -9.883 4.266 240 HE2 PHE 59 HE2 PHE 59 3.990 -12.132 1.478 241 HZ PHE 59 HZ PHE 59 3.774 -10.897 3.616 242 H GLU 60 H GLU 60 -3.611 -11.194 1.352 243 HA GLU 60 HA GLU 60 -5.116 -12.173 -1.055 244 HB2 GLU 60 HB2 GLU 60 -6.999 -12.638 0.184 245 HB3 GLU 60 HB3 GLU 60 -5.656 -13.423 1.031 246 HG2 GLU 60 HG2 GLU 60 -5.623 -11.613 2.674 247 HG3 GLU 60 HG3 GLU 60 -6.908 -10.755 1.832 248 H LYS 61 H LYS 61 -4.472 -9.517 1.085 249 HA LYS 61 HA LYS 61 -5.374 -7.707 -0.994 250 HB2 LYS 61 HB2 LYS 61 -6.899 -6.397 0.191 251 HB3 LYS 61 HB3 LYS 61 -7.438 -8.046 0.429 252 HG2 LYS 61 HG2 LYS 61 -6.697 -8.035 2.745 253 HG3 LYS 61 HG3 LYS 61 -5.819 -6.516 2.527 254 HD2 LYS 61 HD2 LYS 61 -7.781 -5.263 2.216 255 HD3 LYS 61 HD3 LYS 61 -8.794 -6.681 1.970 256 HE2 LYS 61 HE2 LYS 61 -7.364 -6.067 4.579 257 HE3 LYS 61 HE3 LYS 61 -9.003 -5.512 4.204 258 HZ1 LYS 61 HZ1 LYS 61 -8.169 -8.359 4.354 259 HZ2 LYS 61 HZ2 LYS 61 -9.670 -7.848 3.957 260 HZ3 LYS 61 HZ3 LYS 61 -9.075 -7.548 5.460 261 H MET 62 H MET 62 -5.009 -5.452 -0.361 262 HA MET 62 HA MET 62 -2.752 -4.956 1.478 263 HB2 MET 62 HB2 MET 62 -1.497 -3.722 -0.204 264 HB3 MET 62 HB3 MET 62 -1.738 -5.396 -0.704 265 HG2 MET 62 HG2 MET 62 -3.588 -4.688 -2.197 266 HG3 MET 62 HG3 MET 62 -3.285 -3.002 -1.751 267 HE1 MET 62 HE1 MET 62 -3.119 -2.470 -4.413 268 HE2 MET 62 HE2 MET 62 -3.402 -4.195 -4.750 269 HE3 MET 62 HE3 MET 62 -2.034 -3.357 -5.505 270 H VAL 63 H VAL 63 -2.496 -2.704 1.992 271 HA VAL 63 HA VAL 63 -4.748 -0.927 1.290 272 HB VAL 63 HB VAL 63 -3.868 -1.378 4.165 273 HG11 VAL 63 HG11 VAL 63 -5.936 0.503 2.927 274 HG12 VAL 63 HG12 VAL 63 -4.473 0.970 3.829 275 HG13 VAL 63 HG13 VAL 63 -5.811 0.165 4.653 276 HG21 VAL 63 HG21 VAL 63 -5.353 -3.200 3.418 277 HG22 VAL 63 HG22 VAL 63 -6.506 -2.014 2.793 278 HG23 VAL 63 HG23 VAL 63 -6.187 -2.117 4.531 279 H ILE 64 H ILE 64 -4.168 1.143 1.050 280 HA ILE 64 HA ILE 64 -1.227 1.721 1.048 281 HB ILE 64 HB ILE 64 -3.333 2.581 -0.963 282 HG12 ILE 64 HG12 ILE 64 -1.387 0.294 -1.434 283 HG13 ILE 64 HG13 ILE 64 -3.045 0.015 -0.921 284 HG21 ILE 64 HG21 ILE 64 -0.286 2.520 -1.126 285 HG22 ILE 64 HG22 ILE 64 -1.281 3.973 -0.881 286 HG23 ILE 64 HG23 ILE 64 -1.380 3.093 -2.398 287 HD11 ILE 64 HD11 ILE 64 -3.912 1.174 -2.904 288 HD12 ILE 64 HD12 ILE 64 -2.946 -0.267 -3.278 289 HD13 ILE 64 HD13 ILE 64 -2.248 1.340 -3.509 290 H LEU 65 H LEU 65 -0.585 3.686 1.789 291 HA LEU 65 HA LEU 65 -2.636 5.735 2.546 292 HB2 LEU 65 HB2 LEU 65 -0.124 4.813 4.009 293 HB3 LEU 65 HB3 LEU 65 -1.005 6.275 4.408 294 HG LEU 65 HG LEU 65 -2.000 3.409 4.669 295 HD11 LEU 65 HD11 LEU 65 -0.420 4.339 6.449 296 HD12 LEU 65 HD12 LEU 65 -2.000 3.826 7.043 297 HD13 LEU 65 HD13 LEU 65 -1.650 5.555 6.809 298 HD21 LEU 65 HD21 LEU 65 -3.966 4.456 5.837 299 HD22 LEU 65 HD22 LEU 65 -3.952 4.694 4.077 300 HD23 LEU 65 HD23 LEU 65 -3.475 6.018 5.167 301 H THR 66 H THR 66 -2.255 7.769 1.864 302 HA THR 66 HA THR 66 0.342 8.339 0.475 303 HB THR 66 HB THR 66 -0.865 9.504 -1.260 304 HG1 THR 66 HG1 THR 66 -2.618 10.280 -0.177 305 HG21 THR 66 HG21 THR 66 -0.594 7.049 -1.569 306 HG22 THR 66 HG22 THR 66 -1.999 7.727 -2.413 307 HG23 THR 66 HG23 THR 66 -2.231 6.812 -0.907 308 H GLU 67 H GLU 67 0.625 10.747 -0.040 309 HA GLU 67 HA GLU 67 0.193 12.539 2.135 310 HB2 GLU 67 HB2 GLU 67 0.032 13.505 -0.697 311 HB3 GLU 67 HB3 GLU 67 0.687 14.310 0.703 312 HG2 GLU 67 HG2 GLU 67 2.722 13.036 0.610 313 HG3 GLU 67 HG3 GLU 67 2.057 11.924 -0.594 314 H ASN 68 H ASN 68 -1.254 14.499 1.952 315 HA ASN 68 HA ASN 68 -3.294 15.395 2.170 316 HB2 ASN 68 HB2 ASN 68 -3.674 14.106 -0.559 317 HB3 ASN 68 HB3 ASN 68 -4.729 15.342 0.081 318 HD21 ASN 68 HD21 ASN 68 -2.102 14.915 -1.916 319 HD22 ASN 68 HD22 ASN 68 -1.348 16.496 -1.734 320 H LYS 69 H LYS 69 -2.948 12.946 3.435 321 HA LYS 69 HA LYS 69 -3.878 11.161 4.455 322 HB2 LYS 69 HB2 LYS 69 -6.229 13.065 4.676 323 HB3 LYS 69 HB3 LYS 69 -5.865 11.695 5.743 324 HG2 LYS 69 HG2 LYS 69 -3.588 12.800 6.177 325 HG3 LYS 69 HG3 LYS 69 -4.239 14.248 5.395 326 HD2 LYS 69 HD2 LYS 69 -5.305 12.881 7.887 327 HD3 LYS 69 HD3 LYS 69 -4.386 14.391 7.808 328 HE2 LYS 69 HE2 LYS 69 -6.259 15.383 6.439 329 HE3 LYS 69 HE3 LYS 69 -7.194 13.905 6.743 330 HZ1 LYS 69 HZ1 LYS 69 -6.143 15.768 8.811 331 HZ2 LYS 69 HZ2 LYS 69 -6.924 14.352 9.140 332 HZ3 LYS 69 HZ3 LYS 69 -7.723 15.574 8.393 333 H GLY 70 H GLY 70 -4.127 10.831 1.634 334 HA2 GLY 70 HA2 GLY 70 -6.625 9.456 1.105 335 HA3 GLY 70 HA3 GLY 70 -5.134 9.272 0.189 336 H TYR 71 H TYR 71 -7.083 7.326 1.047 337 HA TYR 71 HA TYR 71 -5.403 5.264 2.304 338 HB2 TYR 71 HB2 TYR 71 -6.302 6.116 4.292 339 HB3 TYR 71 HB3 TYR 71 -7.838 6.514 3.556 340 HD1 TYR 71 HD1 TYR 71 -9.562 4.844 3.133 341 HD2 TYR 71 HD2 TYR 71 -5.977 3.855 5.340 342 HE1 TYR 71 HE1 TYR 71 -10.695 2.872 4.123 343 HE2 TYR 71 HE2 TYR 71 -7.132 1.924 6.350 344 HH TYR 71 HH TYR 71 -9.173 0.852 6.637 345 H TYR 72 H TYR 72 -5.709 3.414 1.185 346 HA TYR 72 HA TYR 72 -8.271 2.946 -0.304 347 HB2 TYR 72 HB2 TYR 72 -5.495 2.685 -1.511 348 HB3 TYR 72 HB3 TYR 72 -7.021 2.412 -2.311 349 HD1 TYR 72 HD1 TYR 72 -4.698 4.981 -0.970 350 HD2 TYR 72 HD2 TYR 72 -8.295 4.253 -3.244 351 HE1 TYR 72 HE1 TYR 72 -4.634 7.326 -1.834 352 HE2 TYR 72 HE2 TYR 72 -8.192 6.557 -4.146 353 HH TYR 72 HH TYR 72 -7.172 8.565 -4.038 354 H THR 73 H THR 73 -8.991 0.909 0.204 355 HA THR 73 HA THR 73 -6.979 -1.265 0.686 356 HB THR 73 HB THR 73 -8.781 -1.113 2.332 357 HG1 THR 73 HG1 THR 73 -9.426 -3.356 2.017 358 HG21 THR 73 HG21 THR 73 -10.685 -0.398 0.835 359 HG22 THR 73 HG22 THR 73 -11.038 -1.770 1.881 360 HG23 THR 73 HG23 THR 73 -10.702 -2.039 0.157 361 H VAL 74 H VAL 74 -6.655 -2.922 -0.713 362 HA VAL 74 HA VAL 74 -8.277 -3.152 -3.203 363 HB VAL 74 HB VAL 74 -5.250 -2.815 -3.218 364 HG11 VAL 74 HG11 VAL 74 -6.041 -4.322 -5.002 365 HG12 VAL 74 HG12 VAL 74 -5.538 -2.784 -5.688 366 HG13 VAL 74 HG13 VAL 74 -7.269 -3.131 -5.489 367 HG21 VAL 74 HG21 VAL 74 -7.396 -0.889 -4.204 368 HG22 VAL 74 HG22 VAL 74 -5.654 -0.742 -4.524 369 HG23 VAL 74 HG23 VAL 74 -6.249 -0.610 -2.871 370 H TYR 75 H TYR 75 -8.636 -5.234 -3.691 371 HA TYR 75 HA TYR 75 -7.349 -7.298 -2.038 372 HB2 TYR 75 HB2 TYR 75 -9.645 -7.361 -4.006 373 HB3 TYR 75 HB3 TYR 75 -9.036 -8.767 -3.149 374 HD1 TYR 75 HD1 TYR 75 -9.334 -9.021 -0.707 375 HD2 TYR 75 HD2 TYR 75 -10.852 -5.549 -2.769 376 HE1 TYR 75 HE1 TYR 75 -10.691 -8.448 1.268 377 HE2 TYR 75 HE2 TYR 75 -12.173 -4.936 -0.751 378 HH TYR 75 HH TYR 75 -12.112 -6.941 2.229 379 H LEU 76 H LEU 76 -6.153 -9.013 -2.707 380 HA LEU 76 HA LEU 76 -4.608 -8.567 -5.218 381 HB2 LEU 76 HB2 LEU 76 -3.996 -9.873 -2.544 382 HB3 LEU 76 HB3 LEU 76 -2.923 -10.024 -3.919 383 HG LEU 76 HG LEU 76 -3.719 -7.322 -2.756 384 HD11 LEU 76 HD11 LEU 76 -1.458 -7.404 -1.748 385 HD12 LEU 76 HD12 LEU 76 -1.288 -9.091 -2.291 386 HD13 LEU 76 HD13 LEU 76 -2.518 -8.663 -1.091 387 HD21 LEU 76 HD21 LEU 76 -1.541 -8.223 -4.708 388 HD22 LEU 76 HD22 LEU 76 -1.646 -6.606 -3.992 389 HD23 LEU 76 HD23 LEU 76 -2.919 -7.159 -5.078 390 H ASN 77 H ASN 77 -6.713 -11.018 -3.858 391 HA ASN 77 HA ASN 77 -5.644 -13.204 -5.477 392 HB2 ASN 77 HB2 ASN 77 -8.322 -12.816 -4.068 393 HB3 ASN 77 HB3 ASN 77 -7.801 -14.310 -4.825 394 HD21 ASN 77 HD21 ASN 77 -8.548 -14.076 -2.111 395 HD22 ASN 77 HD22 ASN 77 -7.138 -14.510 -1.170 396 H THR 78 H THR 78 -6.980 -10.399 -6.567 397 HA THR 78 HA THR 78 -8.437 -11.543 -8.864 398 HB THR 78 HB THR 78 -10.325 -10.016 -8.413 399 HG1 THR 78 HG1 THR 78 -10.403 -9.121 -6.246 400 HG21 THR 78 HG21 THR 78 -9.877 -11.669 -5.894 401 HG22 THR 78 HG22 THR 78 -10.377 -12.367 -7.452 402 HG23 THR 78 HG23 THR 78 -11.412 -11.186 -6.639 403 HA PRO 79 HA PRO 79 -7.020 -7.618 -10.789 404 HB2 PRO 79 HB2 PRO 79 -9.664 -7.858 -12.215 405 HB3 PRO 79 HB3 PRO 79 -8.050 -7.532 -12.906 406 HG2 PRO 79 HG2 PRO 79 -9.158 -9.982 -13.185 407 HG3 PRO 79 HG3 PRO 79 -7.425 -9.837 -12.715 408 HD2 PRO 79 HD2 PRO 79 -9.785 -10.302 -10.883 409 HD3 PRO 79 HD3 PRO 79 -8.232 -11.195 -10.996 410 H LEU 80 H LEU 80 -7.650 -5.401 -10.463 411 HA LEU 80 HA LEU 80 -10.008 -4.991 -8.699 412 HB2 LEU 80 HB2 LEU 80 -9.136 -3.092 -7.878 413 HB3 LEU 80 HB3 LEU 80 -7.720 -4.114 -8.063 414 HG LEU 80 HG LEU 80 -8.514 -1.829 -9.932 415 HD11 LEU 80 HD11 LEU 80 -6.289 -1.985 -7.864 416 HD12 LEU 80 HD12 LEU 80 -7.805 -1.079 -7.663 417 HD13 LEU 80 HD13 LEU 80 -6.654 -0.612 -8.928 418 HD21 LEU 80 HD21 LEU 80 -6.066 -3.635 -9.827 419 HD22 LEU 80 HD22 LEU 80 -6.111 -2.101 -10.708 420 HD23 LEU 80 HD23 LEU 80 -7.207 -3.411 -11.171 421 H ALA 81 H ALA 81 -11.592 -3.421 -9.128 422 HA ALA 81 HA ALA 81 -12.588 -3.557 -11.767 423 HB1 ALA 81 HB1 ALA 81 -13.385 -1.713 -9.475 424 HB2 ALA 81 HB2 ALA 81 -13.973 -3.358 -9.741 425 HB3 ALA 81 HB3 ALA 81 -14.369 -2.078 -10.906 426 H GLU 82 H GLU 82 -12.904 -2.019 -13.414 427 HA GLU 82 HA GLU 82 -10.703 -0.505 -14.095 428 HB2 GLU 82 HB2 GLU 82 -12.712 -1.436 -15.467 429 HB3 GLU 82 HB3 GLU 82 -13.490 0.121 -15.122 430 HG2 GLU 82 HG2 GLU 82 -11.457 1.263 -16.062 431 HG3 GLU 82 HG3 GLU 82 -10.773 -0.337 -16.401 432 H ASP 83 H ASP 83 -13.572 0.641 -12.363 433 HA ASP 83 HA ASP 83 -13.197 3.457 -12.575 434 HB2 ASP 83 HB2 ASP 83 -14.261 1.868 -10.210 435 HB3 ASP 83 HB3 ASP 83 -14.624 3.552 -10.608 436 H ARG 84 H ARG 84 -11.653 1.023 -10.629 437 HA ARG 84 HA ARG 84 -10.246 2.915 -8.824 438 HB2 ARG 84 HB2 ARG 84 -9.899 -0.099 -8.922 439 HB3 ARG 84 HB3 ARG 84 -9.620 1.015 -7.591 440 HG2 ARG 84 HG2 ARG 84 -12.170 1.380 -7.529 441 HG3 ARG 84 HG3 ARG 84 -12.280 0.054 -8.689 442 HD2 ARG 84 HD2 ARG 84 -12.516 -1.170 -6.761 443 HD3 ARG 84 HD3 ARG 84 -10.767 -1.232 -6.913 444 HE ARG 84 HE ARG 84 -11.968 1.007 -5.340 445 HH11 ARG 84 HH11 ARG 84 -10.381 -2.185 -4.971 446 HH12 ARG 84 HH12 ARG 84 -9.841 -1.686 -3.382 447 HH21 ARG 84 HH21 ARG 84 -11.341 1.328 -3.321 448 HH22 ARG 84 HH22 ARG 84 -10.358 0.118 -2.484 449 H LYS 85 H LYS 85 -9.656 0.883 -11.678 450 HA LYS 85 HA LYS 85 -6.766 1.178 -11.693 451 HB2 LYS 85 HB2 LYS 85 -8.781 0.684 -13.925 452 HB3 LYS 85 HB3 LYS 85 -7.048 0.841 -14.198 453 HG2 LYS 85 HG2 LYS 85 -6.604 -1.029 -12.655 454 HG3 LYS 85 HG3 LYS 85 -8.353 -1.280 -12.451 455 HD2 LYS 85 HD2 LYS 85 -8.573 -1.780 -14.856 456 HD3 LYS 85 HD3 LYS 85 -6.856 -1.404 -15.111 457 HE2 LYS 85 HE2 LYS 85 -6.246 -3.249 -13.530 458 HE3 LYS 85 HE3 LYS 85 -7.953 -3.675 -13.391 459 HZ1 LYS 85 HZ1 LYS 85 -6.783 -5.030 -15.046 460 HZ2 LYS 85 HZ2 LYS 85 -6.384 -3.713 -15.924 461 HZ3 LYS 85 HZ3 LYS 85 -7.966 -4.160 -15.780 462 H ASN 86 H ASN 86 -9.424 3.202 -12.832 463 HA ASN 86 HA ASN 86 -7.514 5.205 -13.888 464 HB2 ASN 86 HB2 ASN 86 -10.487 4.684 -14.259 465 HB3 ASN 86 HB3 ASN 86 -9.649 6.052 -14.974 466 HD21 ASN 86 HD21 ASN 86 -10.978 3.672 -16.308 467 HD22 ASN 86 HD22 ASN 86 -9.680 3.007 -17.298 468 H VAL 87 H VAL 87 -8.828 4.922 -10.840 469 HA VAL 87 HA VAL 87 -9.798 7.595 -10.436 470 HB VAL 87 HB VAL 87 -10.229 5.553 -9.002 471 HG11 VAL 87 HG11 VAL 87 -8.838 5.127 -7.094 472 HG12 VAL 87 HG12 VAL 87 -7.650 6.344 -7.620 473 HG13 VAL 87 HG13 VAL 87 -7.946 4.890 -8.602 474 HG21 VAL 87 HG21 VAL 87 -9.488 8.138 -7.580 475 HG22 VAL 87 HG22 VAL 87 -10.584 6.874 -6.985 476 HG23 VAL 87 HG23 VAL 87 -11.023 7.807 -8.421 477 H GLU 88 H GLU 88 -8.856 9.435 -9.680 478 HA GLU 88 HA GLU 88 -5.968 9.822 -10.072 479 HB2 GLU 88 HB2 GLU 88 -8.244 11.641 -9.173 480 HB3 GLU 88 HB3 GLU 88 -6.599 12.185 -9.413 481 HG2 GLU 88 HG2 GLU 88 -8.346 10.959 -11.600 482 HG3 GLU 88 HG3 GLU 88 -8.167 12.680 -11.298 483 H LEU 89 H LEU 89 -4.528 9.382 -8.504 484 HA LEU 89 HA LEU 89 -5.145 8.770 -5.790 485 HB2 LEU 89 HB2 LEU 89 -2.571 9.562 -7.207 486 HB3 LEU 89 HB3 LEU 89 -2.605 9.027 -5.539 487 HG LEU 89 HG LEU 89 -3.584 7.338 -7.884 488 HD11 LEU 89 HD11 LEU 89 -1.516 6.062 -7.596 489 HD12 LEU 89 HD12 LEU 89 -0.984 7.179 -6.316 490 HD13 LEU 89 HD13 LEU 89 -1.162 7.746 -7.990 491 HD21 LEU 89 HD21 LEU 89 -3.063 6.653 -4.951 492 HD22 LEU 89 HD22 LEU 89 -3.385 5.468 -6.228 493 HD23 LEU 89 HD23 LEU 89 -4.638 6.623 -5.779 494 H LEU 90 H LEU 90 -5.260 9.940 -3.941 495 HA LEU 90 HA LEU 90 -5.481 12.803 -3.984 496 HB2 LEU 90 HB2 LEU 90 -5.239 10.766 -1.751 497 HB3 LEU 90 HB3 LEU 90 -5.482 12.482 -1.440 498 HG LEU 90 HG LEU 90 -7.395 10.867 -3.181 499 HD11 LEU 90 HD11 LEU 90 -7.564 11.475 -0.202 500 HD12 LEU 90 HD12 LEU 90 -7.361 9.879 -0.970 501 HD13 LEU 90 HD13 LEU 90 -8.864 10.771 -1.195 502 HD21 LEU 90 HD21 LEU 90 -8.974 12.667 -2.680 503 HD22 LEU 90 HD22 LEU 90 -7.531 13.339 -3.442 504 HD23 LEU 90 HD23 LEU 90 -7.753 13.488 -1.689 505 H GLY 91 H GLY 91 -2.717 10.745 -3.436 506 HA2 GLY 91 HA2 GLY 91 -0.870 12.917 -3.818 507 HA3 GLY 91 HA3 GLY 91 -0.911 12.373 -2.139 508 H LYS 92 H LYS 92 1.383 12.085 -2.909 509 HA LYS 92 HA LYS 92 2.167 9.786 -4.442 510 HB2 LYS 92 HB2 LYS 92 3.368 12.057 -3.783 511 HB3 LYS 92 HB3 LYS 92 3.845 11.181 -2.337 512 HG2 LYS 92 HG2 LYS 92 5.605 11.084 -3.906 513 HG3 LYS 92 HG3 LYS 92 4.849 9.475 -3.917 514 HD2 LYS 92 HD2 LYS 92 3.652 10.054 -5.994 515 HD3 LYS 92 HD3 LYS 92 4.385 11.669 -5.968 516 HE2 LYS 92 HE2 LYS 92 6.630 10.667 -6.097 517 HE3 LYS 92 HE3 LYS 92 5.927 9.041 -6.051 518 HZ1 LYS 92 HZ1 LYS 92 6.504 9.781 -8.282 519 HZ2 LYS 92 HZ2 LYS 92 5.410 11.010 -8.218 520 HZ3 LYS 92 HZ3 LYS 92 4.890 9.455 -8.177 521 H MET 93 H MET 93 3.333 7.917 -3.700 522 HA MET 93 HA MET 93 1.751 6.399 -1.850 523 HB2 MET 93 HB2 MET 93 2.735 5.624 -4.046 524 HB3 MET 93 HB3 MET 93 4.308 5.548 -3.267 525 HG2 MET 93 HG2 MET 93 3.290 3.899 -1.601 526 HG3 MET 93 HG3 MET 93 1.793 3.997 -2.514 527 HE1 MET 93 HE1 MET 93 5.717 3.456 -3.322 528 HE2 MET 93 HE2 MET 93 5.639 1.714 -3.674 529 HE3 MET 93 HE3 MET 93 5.195 2.309 -2.062 530 H TYR 94 H TYR 94 2.473 7.974 0.021 531 HA TYR 94 HA TYR 94 4.873 7.846 1.341 532 HB2 TYR 94 HB2 TYR 94 3.512 9.314 2.374 533 HB3 TYR 94 HB3 TYR 94 2.075 8.364 2.117 534 HD1 TYR 94 HD1 TYR 94 1.422 6.552 3.681 535 HD2 TYR 94 HD2 TYR 94 4.787 9.119 4.481 536 HE1 TYR 94 HE1 TYR 94 1.407 5.821 6.064 537 HE2 TYR 94 HE2 TYR 94 4.789 8.358 6.842 538 HH TYR 94 HH TYR 94 3.868 6.910 8.402 539 H LYS 95 H LYS 95 2.298 5.317 1.902 540 HA LYS 95 HA LYS 95 4.384 3.332 2.372 541 HB2 LYS 95 HB2 LYS 95 4.089 4.776 4.560 542 HB3 LYS 95 HB3 LYS 95 2.606 3.856 4.780 543 HG2 LYS 95 HG2 LYS 95 3.842 1.791 4.941 544 HG3 LYS 95 HG3 LYS 95 5.328 2.547 4.355 545 HD2 LYS 95 HD2 LYS 95 3.999 3.404 6.926 546 HD3 LYS 95 HD3 LYS 95 5.179 2.085 6.855 547 HE2 LYS 95 HE2 LYS 95 6.820 3.731 5.854 548 HE3 LYS 95 HE3 LYS 95 5.635 5.005 6.131 549 HZ1 LYS 95 HZ1 LYS 95 7.017 3.364 8.186 550 HZ2 LYS 95 HZ2 LYS 95 5.718 4.300 8.552 551 HZ3 LYS 95 HZ3 LYS 95 7.104 4.984 7.990 552 H THR 96 H THR 96 3.552 1.162 2.693 553 HA THR 96 HA THR 96 0.645 0.736 2.136 554 HB THR 96 HB THR 96 2.871 -0.642 0.583 555 HG1 THR 96 HG1 THR 96 2.400 1.572 0.108 556 HG21 THR 96 HG21 THR 96 1.064 -1.444 -0.866 557 HG22 THR 96 HG22 THR 96 -0.155 -0.695 0.184 558 HG23 THR 96 HG23 THR 96 0.815 -2.064 0.752 559 H TYR 97 H TYR 97 -0.132 -1.210 2.710 560 HA TYR 97 HA TYR 97 1.419 -2.911 4.623 561 HB2 TYR 97 HB2 TYR 97 -1.465 -1.965 5.015 562 HB3 TYR 97 HB3 TYR 97 -0.458 -2.843 6.138 563 HD1 TYR 97 HD1 TYR 97 -0.876 0.450 4.432 564 HD2 TYR 97 HD2 TYR 97 1.039 -1.714 7.630 565 HE1 TYR 97 HE1 TYR 97 0.133 2.551 5.257 566 HE2 TYR 97 HE2 TYR 97 1.937 0.409 8.518 567 HH TYR 97 HH TYR 97 1.906 2.719 8.350 568 H PHE 98 H PHE 98 0.919 -5.071 4.612 569 HA PHE 98 HA PHE 98 -1.048 -6.065 2.565 570 HB2 PHE 98 HB2 PHE 98 1.844 -6.810 3.053 571 HB3 PHE 98 HB3 PHE 98 0.755 -7.760 2.066 572 HD1 PHE 98 HD1 PHE 98 2.611 -4.533 2.245 573 HD2 PHE 98 HD2 PHE 98 0.079 -7.091 -0.112 574 HE1 PHE 98 HE1 PHE 98 3.130 -3.190 0.206 575 HE2 PHE 98 HE2 PHE 98 0.636 -5.767 -2.151 576 HZ PHE 98 HZ PHE 98 2.187 -3.850 -1.989 577 H PHE 99 H PHE 99 -2.093 -7.936 2.924 578 HA PHE 99 HA PHE 99 -1.989 -9.008 5.706 579 HB2 PHE 99 HB2 PHE 99 -4.413 -8.277 4.025 580 HB3 PHE 99 HB3 PHE 99 -4.423 -8.874 5.677 581 HD1 PHE 99 HD1 PHE 99 -3.413 -5.965 3.538 582 HD2 PHE 99 HD2 PHE 99 -4.256 -7.366 7.521 583 HE1 PHE 99 HE1 PHE 99 -3.184 -3.656 4.392 584 HE2 PHE 99 HE2 PHE 99 -4.127 -5.026 8.354 585 HZ PHE 99 HZ PHE 99 -3.533 -3.182 6.810 586 H LYS 100 H LYS 100 -2.186 -11.216 5.946 587 HA LYS 100 HA LYS 100 -2.409 -12.854 3.487 588 HB2 LYS 100 HB2 LYS 100 -1.868 -13.842 6.306 589 HB3 LYS 100 HB3 LYS 100 -1.929 -14.805 4.839 590 HG2 LYS 100 HG2 LYS 100 0.257 -14.607 4.988 591 HG3 LYS 100 HG3 LYS 100 -0.101 -13.243 3.917 592 HD2 LYS 100 HD2 LYS 100 0.263 -11.653 5.648 593 HD3 LYS 100 HD3 LYS 100 0.223 -12.884 6.922 594 HE2 LYS 100 HE2 LYS 100 2.294 -12.974 4.694 595 HE3 LYS 100 HE3 LYS 100 2.538 -11.979 6.136 596 HZ1 LYS 100 HZ1 LYS 100 2.059 -14.913 6.221 597 HZ2 LYS 100 HZ2 LYS 100 2.342 -13.945 7.511 598 HZ3 LYS 100 HZ3 LYS 100 3.510 -14.205 6.392 599 H LYS 101 H LYS 101 -3.602 -14.796 3.431 600 HA LYS 101 HA LYS 101 -6.335 -14.717 3.389 601 HB2 LYS 101 HB2 LYS 101 -6.308 -17.175 3.549 602 HB3 LYS 101 HB3 LYS 101 -5.186 -16.476 2.385 603 HG2 LYS 101 HG2 LYS 101 -3.293 -16.829 3.960 604 HG3 LYS 101 HG3 LYS 101 -4.405 -17.558 5.128 605 HD2 LYS 101 HD2 LYS 101 -4.965 -19.333 3.495 606 HD3 LYS 101 HD3 LYS 101 -3.844 -18.604 2.322 607 HE2 LYS 101 HE2 LYS 101 -1.967 -18.912 3.911 608 HE3 LYS 101 HE3 LYS 101 -3.074 -19.607 5.103 609 HZ1 LYS 101 HZ1 LYS 101 -3.532 -21.406 3.534 610 HZ2 LYS 101 HZ2 LYS 101 -1.918 -21.321 3.858 611 HZ3 LYS 101 HZ3 LYS 101 -2.485 -20.754 2.430 612 H GLY 102 H GLY 102 -7.576 -13.772 4.882 613 HA2 GLY 102 HA2 GLY 102 -9.147 -14.057 6.582 614 HA3 GLY 102 HA3 GLY 102 -8.208 -15.376 7.273 615 H GLU 103 H GLU 103 -6.143 -12.715 6.802 616 HA GLU 103 HA GLU 103 -6.101 -12.093 9.690 617 HB2 GLU 103 HB2 GLU 103 -4.406 -11.025 7.404 618 HB3 GLU 103 HB3 GLU 103 -4.064 -10.845 9.116 619 HG2 GLU 103 HG2 GLU 103 -4.112 -13.552 7.691 620 HG3 GLU 103 HG3 GLU 103 -2.691 -12.545 7.872 621 H SER 104 H SER 104 -6.033 -9.876 10.464 622 HA SER 104 HA SER 104 -7.023 -7.691 8.713 623 HB2 SER 104 HB2 SER 104 -8.334 -8.336 11.356 624 HB3 SER 104 HB3 SER 104 -8.578 -6.873 10.407 625 HG SER 104 HG SER 104 -9.302 -9.527 9.743 626 H LYS 105 H LYS 105 -4.416 -8.490 10.060 627 HA LYS 105 HA LYS 105 -3.725 -5.668 10.495 628 HB2 LYS 105 HB2 LYS 105 -4.062 -6.626 12.748 629 HB3 LYS 105 HB3 LYS 105 -2.814 -7.844 12.419 630 HG2 LYS 105 HG2 LYS 105 -1.095 -6.239 12.410 631 HG3 LYS 105 HG3 LYS 105 -2.188 -4.873 12.241 632 HD2 LYS 105 HD2 LYS 105 -1.697 -4.752 14.521 633 HD3 LYS 105 HD3 LYS 105 -3.172 -5.709 14.574 634 HE2 LYS 105 HE2 LYS 105 -1.677 -7.781 14.436 635 HE3 LYS 105 HE3 LYS 105 -0.294 -6.682 14.610 636 HZ1 LYS 105 HZ1 LYS 105 -0.902 -7.527 16.776 637 HZ2 LYS 105 HZ2 LYS 105 -2.477 -7.092 16.582 638 HZ3 LYS 105 HZ3 LYS 105 -1.337 -5.934 16.737 639 H SER 106 H SER 106 -1.711 -5.197 9.582 640 HA SER 106 HA SER 106 -0.909 -7.143 7.588 641 HB2 SER 106 HB2 SER 106 0.659 -5.528 6.766 642 HB3 SER 106 HB3 SER 106 -0.867 -4.737 7.170 643 HG SER 106 HG SER 106 1.647 -4.614 8.497 644 H SER 107 H SER 107 1.055 -8.219 7.237 645 HA SER 107 HA SER 107 3.133 -8.134 9.404 646 HB2 SER 107 HB2 SER 107 3.693 -10.525 8.467 647 HB3 SER 107 HB3 SER 107 2.465 -10.295 9.705 648 HG SER 107 HG SER 107 1.083 -11.078 8.428 649 H TYR 108 H TYR 108 2.526 -7.369 6.218 650 HA TYR 108 HA TYR 108 5.427 -7.034 5.713 651 HB2 TYR 108 HB2 TYR 108 4.853 -8.968 4.417 652 HB3 TYR 108 HB3 TYR 108 3.417 -8.201 3.781 653 HD1 TYR 108 HD1 TYR 108 7.143 -7.715 3.866 654 HD2 TYR 108 HD2 TYR 108 3.531 -7.415 1.575 655 HE1 TYR 108 HE1 TYR 108 8.484 -7.072 1.824 656 HE2 TYR 108 HE2 TYR 108 4.838 -6.782 -0.425 657 HH TYR 108 HH TYR 108 6.975 -6.614 -1.357 658 H VAL 109 H VAL 109 5.953 -5.151 4.856 659 HA VAL 109 HA VAL 109 3.921 -3.118 4.153 660 HB VAL 109 HB VAL 109 5.199 -1.548 5.782 661 HG11 VAL 109 HG11 VAL 109 3.413 -3.659 7.000 662 HG12 VAL 109 HG12 VAL 109 2.897 -2.167 6.150 663 HG13 VAL 109 HG13 VAL 109 3.811 -2.061 7.677 664 HG21 VAL 109 HG21 VAL 109 6.247 -2.464 7.681 665 HG22 VAL 109 HG22 VAL 109 6.907 -3.375 6.293 666 HG23 VAL 109 HG23 VAL 109 5.693 -4.120 7.326 667 H ILE 110 H ILE 110 4.814 -1.217 3.235 668 HA ILE 110 HA ILE 110 7.646 -1.383 2.278 669 HB ILE 110 HB ILE 110 5.243 -1.062 0.497 670 HG12 ILE 110 HG12 ILE 110 6.772 -3.589 1.134 671 HG13 ILE 110 HG13 ILE 110 5.049 -3.323 1.160 672 HG21 ILE 110 HG21 ILE 110 8.144 -1.625 -0.294 673 HG22 ILE 110 HG22 ILE 110 7.393 -0.010 -0.313 674 HG23 ILE 110 HG23 ILE 110 6.794 -1.260 -1.380 675 HD11 ILE 110 HD11 ILE 110 5.451 -4.660 -0.712 676 HD12 ILE 110 HD12 ILE 110 6.869 -3.725 -1.189 677 HD13 ILE 110 HD13 ILE 110 5.214 -3.047 -1.393 678 H ASN 111 H ASN 111 8.558 0.586 2.035 679 HA ASN 111 HA ASN 111 6.930 2.962 2.846 680 HB2 ASN 111 HB2 ASN 111 9.933 2.469 2.942 681 HB3 ASN 111 HB3 ASN 111 9.093 3.880 3.578 682 HD21 ASN 111 HD21 ASN 111 10.843 2.077 4.985 683 HD22 ASN 111 HD22 ASN 111 9.879 1.531 6.358 684 H GLY 112 H GLY 112 6.868 4.778 1.550 685 HA2 GLY 112 HA2 GLY 112 8.525 4.829 -0.935 686 HA3 GLY 112 HA3 GLY 112 6.775 4.704 -1.084 687 HA PRO 113 HA PRO 113 8.419 9.065 -0.956 688 HB2 PRO 113 HB2 PRO 113 7.402 10.007 -3.329 689 HB3 PRO 113 HB3 PRO 113 8.924 9.107 -3.176 690 HG2 PRO 113 HG2 PRO 113 6.215 7.927 -3.889 691 HG3 PRO 113 HG3 PRO 113 7.750 7.768 -4.768 692 HD2 PRO 113 HD2 PRO 113 6.876 5.909 -2.995 693 HD3 PRO 113 HD3 PRO 113 8.615 6.344 -3.033 694 H GLY 114 H GLY 114 7.387 10.617 0.112 695 HA2 GLY 114 HA2 GLY 114 5.005 11.864 -0.392 696 HA3 GLY 114 HA3 GLY 114 4.504 10.546 0.662 697 H LYS 115 H LYS 115 7.010 10.729 2.331 698 HA LYS 115 HA LYS 115 7.870 11.748 4.143 699 HB2 LYS 115 HB2 LYS 115 8.058 13.618 2.312 700 HB3 LYS 115 HB3 LYS 115 6.884 14.472 3.291 701 HG2 LYS 115 HG2 LYS 115 9.564 13.432 4.325 702 HG3 LYS 115 HG3 LYS 115 9.327 15.010 3.588 703 HD2 LYS 115 HD2 LYS 115 7.589 15.471 5.423 704 HD3 LYS 115 HD3 LYS 115 8.267 14.048 6.252 705 HE2 LYS 115 HE2 LYS 115 10.489 15.034 6.279 706 HE3 LYS 115 HE3 LYS 115 9.934 16.384 5.274 707 HZ1 LYS 115 HZ1 LYS 115 8.412 17.001 7.083 708 HZ2 LYS 115 HZ2 LYS 115 9.996 17.125 7.520 709 HZ3 LYS 115 HZ3 LYS 115 9.092 15.861 8.068 710 H THR 116 H THR 116 4.453 12.675 3.615 711 HA THR 116 HA THR 116 3.812 11.677 6.252 712 HB THR 116 HB THR 116 4.501 13.886 6.993 713 HG1 THR 116 HG1 THR 116 2.791 14.249 8.139 714 HG21 THR 116 HG21 THR 116 2.526 15.003 4.956 715 HG22 THR 116 HG22 THR 116 4.288 15.246 5.001 716 HG23 THR 116 HG23 THR 116 3.271 15.925 6.277 717 H ASN 117 H ASN 117 1.496 11.643 6.618 718 HA ASN 117 HA ASN 117 -0.169 11.576 4.172 719 HB2 ASN 117 HB2 ASN 117 -0.956 11.180 7.098 720 HB3 ASN 117 HB3 ASN 117 -1.944 10.809 5.676 721 HD21 ASN 117 HD21 ASN 117 -0.629 9.387 3.995 722 HD22 ASN 117 HD22 ASN 117 0.406 8.149 4.720 723 H GLU 118 H GLU 118 0.510 13.759 6.862 724 HA GLU 118 HA GLU 118 -1.926 15.347 6.442 725 HB2 GLU 118 HB2 GLU 118 0.305 15.710 8.475 726 HB3 GLU 118 HB3 GLU 118 -1.268 16.526 8.440 727 HG2 GLU 118 HG2 GLU 118 -2.292 14.139 8.541 728 HG3 GLU 118 HG3 GLU 118 -0.685 13.608 9.024 729 H TYR 119 H TYR 119 -0.763 15.504 4.216 730 HA TYR 119 HA TYR 119 0.079 16.601 2.509 731 HB2 TYR 119 HB2 TYR 119 -0.536 18.982 2.285 732 HB3 TYR 119 HB3 TYR 119 -1.803 17.850 2.662 733 HD1 TYR 119 HD1 TYR 119 0.341 20.521 4.193 734 HD2 TYR 119 HD2 TYR 119 -3.222 18.125 4.526 735 HE1 TYR 119 HE1 TYR 119 -0.485 21.993 6.034 736 HE2 TYR 119 HE2 TYR 119 -4.044 19.578 6.351 737 HH TYR 119 HH TYR 119 -3.693 21.431 7.554 738 H ALA 120 H ALA 120 1.712 17.678 1.418 739 HA ALA 120 HA ALA 120 3.934 18.778 3.045 740 HB1 ALA 120 HB1 ALA 120 3.973 16.252 2.963 741 HB2 ALA 120 HB2 ALA 120 5.382 16.960 2.164 742 HB3 ALA 120 HB3 ALA 120 4.014 16.340 1.199 743 H TYR 121 H TYR 121 2.260 19.906 0.750 744 HA TYR 121 HA TYR 121 4.575 21.123 -0.620 745 HB2 TYR 121 HB2 TYR 121 4.025 19.125 -1.994 746 HB3 TYR 121 HB3 TYR 121 2.418 19.780 -2.270 747 HD1 TYR 121 HD1 TYR 121 6.001 20.971 -2.434 748 HD2 TYR 121 HD2 TYR 121 2.149 20.835 -4.364 749 HE1 TYR 121 HE1 TYR 121 6.900 22.332 -4.322 750 HE2 TYR 121 HE2 TYR 121 3.061 22.147 -6.273 751 HH TYR 121 HH TYR 121 4.956 23.063 -7.223 752 H1 ACE 6 H1 ACE 6 23.004 -0.690 -5.206 753 H2 ACE 6 H2 ACE 6 21.496 -0.045 -4.524 754 H3 ACE 6 H3 ACE 6 22.891 1.028 -4.758 755 H THR 7 H THR 7 20.792 -1.195 -6.601 756 HA THR 7 HA THR 7 20.693 0.746 -8.857 757 HB THR 7 HB THR 7 22.561 -0.902 -9.138 758 HG1 THR 7 HG1 THR 7 20.554 -1.175 -11.107 759 HG21 THR 7 HG21 THR 7 20.365 -2.961 -9.598 760 HG22 THR 7 HG22 THR 7 22.116 -3.188 -9.788 761 HG23 THR 7 HG23 THR 7 21.440 -2.910 -8.184 762 H THR 8 H THR 8 18.791 -0.494 -6.773 763 HA THR 8 HA THR 8 16.471 -0.439 -8.512 764 HB THR 8 HB THR 8 17.637 -2.961 -8.025 765 HG1 THR 8 HG1 THR 8 16.638 -2.900 -9.773 766 HG21 THR 8 HG21 THR 8 16.498 -3.167 -5.880 767 HG22 THR 8 HG22 THR 8 14.933 -2.917 -6.687 768 HG23 THR 8 HG23 THR 8 15.924 -4.328 -7.090 769 HA PRO 9 HA PRO 9 14.194 1.130 -4.976 770 HB2 PRO 9 HB2 PRO 9 12.281 -1.107 -5.684 771 HB3 PRO 9 HB3 PRO 9 11.885 0.579 -5.203 772 HG2 PRO 9 HG2 PRO 9 11.864 -0.068 -7.807 773 HG3 PRO 9 HG3 PRO 9 12.718 1.427 -7.299 774 HD2 PRO 9 HD2 PRO 9 13.876 -1.286 -7.950 775 HD3 PRO 9 HD3 PRO 9 14.461 0.337 -8.418 776 H ASP 10 H ASP 10 13.423 0.673 -2.820 777 HA ASP 10 HA ASP 10 14.496 -1.769 -1.554 778 HB2 ASP 10 HB2 ASP 10 14.505 0.611 -0.501 779 HB3 ASP 10 HB3 ASP 10 12.807 0.354 -0.165 780 HN2 TYS 11 HN2 TYS 11 13.364 -3.587 -1.776 781 HA TYS 11 HA TYS 11 10.547 -3.577 -2.622 782 HB2 TYS 11 HB2 TYS 11 12.926 -5.360 -3.219 783 HB3 TYS 11 HB3 TYS 11 11.315 -6.059 -3.210 784 HD1 TYS 11 HD1 TYS 11 9.428 -4.615 -4.218 785 HD2 TYS 11 HD2 TYS 11 13.542 -4.470 -5.422 786 HE1 TYS 11 HE1 TYS 11 8.741 -3.485 -6.185 787 HE2 TYS 11 HE2 TYS 11 12.822 -3.511 -7.593 788 H GLY 12 H GLY 12 10.402 -2.994 -0.678 789 HA2 GLY 12 HA2 GLY 12 8.939 -3.163 1.083 790 HA3 GLY 12 HA3 GLY 12 8.578 -4.785 0.521 791 H HIS 13 H HIS 13 8.438 -4.544 3.225 792 HA HIS 13 HA HIS 13 10.557 -6.406 4.024 793 HB2 HIS 13 HB2 HIS 13 11.106 -5.217 6.055 794 HB3 HIS 13 HB3 HIS 13 11.669 -4.339 4.632 795 HD1 HIS 13 HD1 HIS 13 10.053 -2.169 3.872 796 HD2 HIS 13 HD2 HIS 13 9.359 -3.910 7.651 797 HE1 HIS 13 HE1 HIS 13 8.395 -0.626 5.114 798 HE2 HIS 13 HE2 HIS 13 8.339 -1.480 7.571 799 HN2 TYS 14 HN2 TYS 14 10.058 -7.625 5.847 800 HA TYS 14 HA TYS 14 7.202 -7.506 6.659 801 HB2 TYS 14 HB2 TYS 14 9.317 -9.662 7.011 802 HB3 TYS 14 HB3 TYS 14 7.773 -9.678 7.822 803 HD1 TYS 14 HD1 TYS 14 9.077 -9.464 4.190 804 HD2 TYS 14 HD2 TYS 14 5.924 -10.730 6.896 805 HE1 TYS 14 HE1 TYS 14 8.216 -10.902 2.522 806 HE2 TYS 14 HE2 TYS 14 5.043 -12.164 5.157 807 H ASP 15 H ASP 15 6.460 -7.308 8.624 808 HA ASP 15 HA ASP 15 8.146 -6.449 10.833 809 HB2 ASP 15 HB2 ASP 15 7.897 -4.515 8.920 810 HB3 ASP 15 HB3 ASP 15 6.458 -4.180 9.796 811 H ASP 16 H ASP 16 6.861 -5.395 12.516 812 HA ASP 16 HA ASP 16 3.929 -5.965 12.622 813 HB2 ASP 16 HB2 ASP 16 6.011 -6.909 14.642 814 HB3 ASP 16 HB3 ASP 16 4.274 -6.881 14.939 815 H LYS 17 H LYS 17 6.736 -4.057 13.675 816 HA LYS 17 HA LYS 17 5.414 -2.881 15.955 817 HB2 LYS 17 HB2 LYS 17 7.359 -1.689 16.322 818 HB3 LYS 17 HB3 LYS 17 7.930 -3.159 15.539 819 HG2 LYS 17 HG2 LYS 17 7.979 -1.789 13.341 820 HG3 LYS 17 HG3 LYS 17 7.629 -0.379 14.340 821 HD2 LYS 17 HD2 LYS 17 9.937 -0.290 14.157 822 HD3 LYS 17 HD3 LYS 17 9.683 -0.994 15.740 823 HE2 LYS 17 HE2 LYS 17 11.484 -2.167 14.658 824 HE3 LYS 17 HE3 LYS 17 10.112 -3.273 14.773 825 HZ1 LYS 17 HZ1 LYS 17 10.736 -1.695 12.328 826 HZ2 LYS 17 HZ2 LYS 17 9.648 -2.890 12.434 827 HZ3 LYS 17 HZ3 LYS 17 11.226 -3.262 12.538 828 H ASP 18 H ASP 18 5.445 -2.074 12.632 829 HA ASP 18 HA ASP 18 4.108 0.569 13.051 830 HB2 ASP 18 HB2 ASP 18 5.706 -0.620 10.746 831 HB3 ASP 18 HB3 ASP 18 4.899 0.934 10.670 832 H THR 19 H THR 19 2.937 -2.436 12.660 833 HA THR 19 HA THR 19 1.677 -2.571 10.157 834 HB THR 19 HB THR 19 1.795 -4.544 11.623 835 HG1 THR 19 HG1 THR 19 0.256 -4.518 10.088 836 HG21 THR 19 HG21 THR 19 -0.364 -3.364 13.340 837 HG22 THR 19 HG22 THR 19 1.345 -3.310 13.796 838 HG23 THR 19 HG23 THR 19 0.581 -4.878 13.544 839 H LEU 20 H LEU 20 -0.506 -2.388 9.426 840 HA LEU 20 HA LEU 20 -2.148 -0.302 10.739 841 HB2 LEU 20 HB2 LEU 20 -1.652 0.200 8.394 842 HB3 LEU 20 HB3 LEU 20 -2.119 -1.436 7.917 843 HG LEU 20 HG LEU 20 -4.448 -0.919 8.655 844 HD11 LEU 20 HD11 LEU 20 -4.050 0.887 10.250 845 HD12 LEU 20 HD12 LEU 20 -5.094 1.459 8.947 846 HD13 LEU 20 HD13 LEU 20 -3.376 1.913 8.963 847 HD21 LEU 20 HD21 LEU 20 -3.209 0.942 6.591 848 HD22 LEU 20 HD22 LEU 20 -4.939 0.549 6.728 849 HD23 LEU 20 HD23 LEU 20 -3.768 -0.727 6.328 850 H ASP 21 H ASP 21 -3.634 -1.070 11.956 851 HA ASP 21 HA ASP 21 -4.473 -3.876 11.978 852 HB2 ASP 21 HB2 ASP 21 -5.105 -3.327 14.289 853 HB3 ASP 21 HB3 ASP 21 -3.445 -2.888 13.952 854 H LEU 22 H LEU 22 -6.066 -4.171 10.561 855 HA LEU 22 HA LEU 22 -8.369 -2.421 10.110 856 HB2 LEU 22 HB2 LEU 22 -7.007 -4.825 8.929 857 HB3 LEU 22 HB3 LEU 22 -8.738 -4.802 8.757 858 HG LEU 22 HG LEU 22 -8.606 -2.634 7.572 859 HD11 LEU 22 HD11 LEU 22 -5.603 -3.000 8.019 860 HD12 LEU 22 HD12 LEU 22 -6.612 -1.643 8.569 861 HD13 LEU 22 HD13 LEU 22 -6.313 -1.875 6.837 862 HD21 LEU 22 HD21 LEU 22 -8.391 -4.839 6.419 863 HD22 LEU 22 HD22 LEU 22 -6.618 -4.713 6.553 864 HD23 LEU 22 HD23 LEU 22 -7.538 -3.544 5.571 865 H ASN 23 H ASN 23 -7.803 -4.668 12.570 866 HA ASN 23 HA ASN 23 -9.862 -6.441 12.406 867 HB2 ASN 23 HB2 ASN 23 -8.865 -5.459 15.073 868 HB3 ASN 23 HB3 ASN 23 -9.337 -7.092 14.613 869 HD21 ASN 23 HD21 ASN 23 -6.865 -4.662 14.587 870 HD22 ASN 23 HD22 ASN 23 -5.557 -5.757 14.128 871 H THR 24 H THR 24 -11.688 -6.755 13.316 872 HA THR 24 HA THR 24 -13.356 -4.657 14.605 873 HB THR 24 HB THR 24 -13.240 -4.078 12.282 874 HG1 THR 24 HG1 THR 24 -15.668 -5.118 13.171 875 HG21 THR 24 HG21 THR 24 -14.231 -5.562 10.515 876 HG22 THR 24 HG22 THR 24 -12.700 -6.128 11.194 877 HG23 THR 24 HG23 THR 24 -14.215 -6.893 11.708 878 HA PRO 25 HA PRO 25 -15.135 -9.132 14.974 879 HB2 PRO 25 HB2 PRO 25 -13.988 -10.275 17.172 880 HB3 PRO 25 HB3 PRO 25 -13.276 -10.377 15.533 881 HG2 PRO 25 HG2 PRO 25 -12.539 -8.454 17.762 882 HG3 PRO 25 HG3 PRO 25 -11.465 -9.430 16.692 883 HD2 PRO 25 HD2 PRO 25 -12.011 -6.796 16.165 884 HD3 PRO 25 HD3 PRO 25 -11.733 -8.038 14.910 885 H VAL 26 H VAL 26 -16.796 -9.705 16.316 886 HA VAL 26 HA VAL 26 -17.142 -8.725 18.994 887 HB VAL 26 HB VAL 26 -17.813 -6.709 17.684 888 HG11 VAL 26 HG11 VAL 26 -20.139 -8.372 16.674 889 HG12 VAL 26 HG12 VAL 26 -18.769 -7.801 15.696 890 HG13 VAL 26 HG13 VAL 26 -19.887 -6.637 16.418 891 HG21 VAL 26 HG21 VAL 26 -19.627 -6.045 18.938 892 HG22 VAL 26 HG22 VAL 26 -18.851 -7.273 19.948 893 HG23 VAL 26 HG23 VAL 26 -20.332 -7.652 19.034 894 H ASP 27 H ASP 27 -17.344 -11.198 17.293 895 HA ASP 27 HA ASP 27 -18.499 -13.115 16.961 896 HB2 ASP 27 HB2 ASP 27 -19.365 -12.520 19.805 897 HB3 ASP 27 HB3 ASP 27 -19.695 -14.037 18.982 898 H LYS 28 H LYS 28 -20.686 -10.471 17.523 899 HA LYS 28 HA LYS 28 -22.581 -11.645 15.579 900 HB2 LYS 28 HB2 LYS 28 -23.308 -12.426 17.844 901 HB3 LYS 28 HB3 LYS 28 -23.483 -10.740 18.340 902 HG2 LYS 28 HG2 LYS 28 -25.204 -10.439 16.519 903 HG3 LYS 28 HG3 LYS 28 -24.964 -12.125 16.044 904 HD2 LYS 28 HD2 LYS 28 -26.973 -11.898 17.383 905 HD3 LYS 28 HD3 LYS 28 -25.781 -12.873 18.264 906 HE2 LYS 28 HE2 LYS 28 -25.186 -10.950 19.663 907 HE3 LYS 28 HE3 LYS 28 -26.213 -9.885 18.690 908 HZ1 LYS 28 HZ1 LYS 28 -27.173 -12.149 20.346 909 HZ2 LYS 28 HZ2 LYS 28 -27.333 -10.542 20.695 910 HZ3 LYS 28 HZ3 LYS 28 -28.130 -11.190 19.403 911 HN1 NH2 29 HN1 NH2 29 -21.684 -9.997 14.243 912 HN2 NH2 29 HN2 NH2 29 -22.146 -8.321 14.467 Start of MODEL 3 1 H1 ASN 31 H1 ASN 31 11.359 18.387 -11.191 2 H2 ASN 31 H2 ASN 31 12.049 19.378 -12.322 3 H3 ASN 31 H3 ASN 31 12.902 18.130 -11.688 4 HA ASN 31 HA ASN 31 10.498 17.854 -13.350 5 HB2 ASN 31 HB2 ASN 31 13.336 17.082 -14.096 6 HB3 ASN 31 HB3 ASN 31 11.905 17.033 -15.126 7 HD21 ASN 31 HD21 ASN 31 14.508 18.453 -15.474 8 HD22 ASN 31 HD22 ASN 31 14.128 20.171 -15.533 9 H SER 32 H SER 32 9.393 16.289 -12.313 10 HA SER 32 HA SER 32 10.540 13.587 -12.188 11 HB2 SER 32 HB2 SER 32 11.223 14.624 -10.003 12 HB3 SER 32 HB3 SER 32 9.520 14.899 -9.629 13 HG SER 32 HG SER 32 10.535 12.959 -8.771 14 H GLY 33 H GLY 33 7.757 15.683 -11.234 15 HA2 GLY 33 HA2 GLY 33 5.497 15.453 -11.636 16 HA3 GLY 33 HA3 GLY 33 5.842 14.136 -12.753 17 H LEU 34 H LEU 34 3.684 13.603 -11.590 18 HA LEU 34 HA LEU 34 4.289 11.551 -9.532 19 HB2 LEU 34 HB2 LEU 34 2.031 13.599 -9.352 20 HB3 LEU 34 HB3 LEU 34 2.062 12.080 -8.486 21 HG LEU 34 HG LEU 34 4.373 12.914 -7.537 22 HD11 LEU 34 HD11 LEU 34 2.943 15.537 -8.175 23 HD12 LEU 34 HD12 LEU 34 4.510 15.041 -8.836 24 HD13 LEU 34 HD13 LEU 34 4.353 15.360 -7.112 25 HD21 LEU 34 HD21 LEU 34 1.669 14.010 -6.657 26 HD22 LEU 34 HD22 LEU 34 3.121 13.965 -5.647 27 HD23 LEU 34 HD23 LEU 34 2.377 12.452 -6.184 28 HA PRO 35 HA PRO 35 1.273 9.170 -12.043 29 HB2 PRO 35 HB2 PRO 35 0.723 7.598 -9.626 30 HB3 PRO 35 HB3 PRO 35 1.370 7.061 -11.190 31 HG2 PRO 35 HG2 PRO 35 2.960 7.188 -8.923 32 HG3 PRO 35 HG3 PRO 35 3.583 7.424 -10.581 33 HD2 PRO 35 HD2 PRO 35 2.865 9.511 -8.529 34 HD3 PRO 35 HD3 PRO 35 4.276 9.417 -9.630 35 H THR 36 H THR 36 -1.074 8.683 -11.720 36 HA THR 36 HA THR 36 -2.461 10.350 -9.680 37 HB THR 36 HB THR 36 -1.929 11.803 -11.528 38 HG1 THR 36 HG1 THR 36 -3.721 12.288 -10.397 39 HG21 THR 36 HG21 THR 36 -3.127 11.625 -13.684 40 HG22 THR 36 HG22 THR 36 -3.729 10.024 -13.215 41 HG23 THR 36 HG23 THR 36 -1.989 10.288 -13.456 42 H THR 37 H THR 37 -2.316 7.344 -11.067 43 HA THR 37 HA THR 37 -5.203 6.886 -10.492 44 HB THR 37 HB THR 37 -5.153 5.200 -12.422 45 HG1 THR 37 HG1 THR 37 -3.841 5.911 -14.165 46 HG21 THR 37 HG21 THR 37 -6.470 7.313 -12.340 47 HG22 THR 37 HG22 THR 37 -5.982 6.833 -13.972 48 HG23 THR 37 HG23 THR 37 -5.121 8.144 -13.134 49 H LEU 38 H LEU 38 -5.685 5.239 -9.290 50 HA LEU 38 HA LEU 38 -3.775 3.739 -7.928 51 HB2 LEU 38 HB2 LEU 38 -6.381 4.238 -7.633 52 HB3 LEU 38 HB3 LEU 38 -6.529 2.606 -8.282 53 HG LEU 38 HG LEU 38 -5.202 3.560 -5.737 54 HD11 LEU 38 HD11 LEU 38 -6.894 2.047 -4.685 55 HD12 LEU 38 HD12 LEU 38 -7.540 1.683 -6.299 56 HD13 LEU 38 HD13 LEU 38 -7.629 3.333 -5.648 57 HD21 LEU 38 HD21 LEU 38 -3.763 1.743 -6.474 58 HD22 LEU 38 HD22 LEU 38 -5.173 0.721 -6.844 59 HD23 LEU 38 HD23 LEU 38 -4.778 1.160 -5.165 60 H GLY 39 H GLY 39 -5.428 2.787 -10.971 61 HA2 GLY 39 HA2 GLY 39 -4.685 0.074 -11.110 62 HA3 GLY 39 HA3 GLY 39 -4.827 1.149 -12.505 63 H LYS 40 H LYS 40 -2.658 2.917 -12.072 64 HA LYS 40 HA LYS 40 -0.351 1.332 -12.857 65 HB2 LYS 40 HB2 LYS 40 -0.571 4.226 -11.931 66 HB3 LYS 40 HB3 LYS 40 0.842 3.500 -12.686 67 HG2 LYS 40 HG2 LYS 40 -1.870 3.923 -14.020 68 HG3 LYS 40 HG3 LYS 40 -0.409 4.855 -14.260 69 HD2 LYS 40 HD2 LYS 40 -0.293 3.508 -16.094 70 HD3 LYS 40 HD3 LYS 40 0.669 2.562 -14.960 71 HE2 LYS 40 HE2 LYS 40 -1.412 1.173 -14.487 72 HE3 LYS 40 HE3 LYS 40 -2.263 2.126 -15.707 73 HZ1 LYS 40 HZ1 LYS 40 -1.385 0.060 -16.642 74 HZ2 LYS 40 HZ2 LYS 40 0.139 0.449 -16.188 75 HZ3 LYS 40 HZ3 LYS 40 -0.651 1.361 -17.337 76 H LEU 41 H LEU 41 -1.363 2.756 -9.767 77 HA LEU 41 HA LEU 41 1.076 2.068 -8.396 78 HB2 LEU 41 HB2 LEU 41 -0.373 3.813 -7.539 79 HB3 LEU 41 HB3 LEU 41 -1.714 2.678 -7.362 80 HG LEU 41 HG LEU 41 -0.460 1.420 -5.655 81 HD11 LEU 41 HD11 LEU 41 1.568 2.321 -4.657 82 HD12 LEU 41 HD12 LEU 41 1.628 3.630 -5.854 83 HD13 LEU 41 HD13 LEU 41 1.886 1.936 -6.343 84 HD21 LEU 41 HD21 LEU 41 -0.579 4.387 -5.054 85 HD22 LEU 41 HD22 LEU 41 -0.497 3.065 -3.862 86 HD23 LEU 41 HD23 LEU 41 -1.923 3.225 -4.921 87 H ASP 42 H ASP 42 -2.069 0.297 -8.679 88 HA ASP 42 HA ASP 42 -1.379 -2.011 -7.142 89 HB2 ASP 42 HB2 ASP 42 -3.638 -1.691 -7.884 90 HB3 ASP 42 HB3 ASP 42 -3.155 -1.543 -9.567 91 H GLU 43 H GLU 43 -0.718 -1.250 -10.506 92 HA GLU 43 HA GLU 43 0.512 -3.734 -11.231 93 HB2 GLU 43 HB2 GLU 43 -0.622 -2.033 -12.698 94 HB3 GLU 43 HB3 GLU 43 0.769 -0.977 -12.483 95 HG2 GLU 43 HG2 GLU 43 2.201 -2.700 -13.548 96 HG3 GLU 43 HG3 GLU 43 0.786 -3.754 -13.726 97 H ARG 44 H ARG 44 1.749 -0.904 -9.560 98 HA ARG 44 HA ARG 44 4.544 -1.924 -9.643 99 HB2 ARG 44 HB2 ARG 44 3.167 0.586 -8.682 100 HB3 ARG 44 HB3 ARG 44 4.647 0.070 -7.887 101 HG2 ARG 44 HG2 ARG 44 5.760 -0.114 -10.143 102 HG3 ARG 44 HG3 ARG 44 4.313 0.576 -10.881 103 HD2 ARG 44 HD2 ARG 44 5.929 1.929 -8.674 104 HD3 ARG 44 HD3 ARG 44 6.230 2.178 -10.394 105 HE ARG 44 HE ARG 44 4.053 3.115 -10.720 106 HH11 ARG 44 HH11 ARG 44 5.061 3.211 -7.320 107 HH12 ARG 44 HH12 ARG 44 3.681 4.189 -6.907 108 HH21 ARG 44 HH21 ARG 44 2.668 4.689 -10.077 109 HH22 ARG 44 HH22 ARG 44 2.468 5.039 -8.351 110 H LEU 45 H LEU 45 1.917 -1.537 -7.195 111 HA LEU 45 HA LEU 45 3.498 -2.570 -5.049 112 HB2 LEU 45 HB2 LEU 45 0.495 -2.358 -5.492 113 HB3 LEU 45 HB3 LEU 45 1.185 -2.944 -3.987 114 HG LEU 45 HG LEU 45 1.704 -0.184 -5.163 115 HD11 LEU 45 HD11 LEU 45 -0.001 -1.084 -2.813 116 HD12 LEU 45 HD12 LEU 45 -0.611 -0.499 -4.368 117 HD13 LEU 45 HD13 LEU 45 0.290 0.597 -3.298 118 HD21 LEU 45 HD21 LEU 45 2.543 -1.402 -2.503 119 HD22 LEU 45 HD22 LEU 45 2.604 0.321 -2.884 120 HD23 LEU 45 HD23 LEU 45 3.610 -0.798 -3.797 121 H ARG 46 H ARG 46 1.440 -4.339 -7.363 122 HA ARG 46 HA ARG 46 1.802 -6.951 -6.113 123 HB2 ARG 46 HB2 ARG 46 1.173 -6.029 -8.948 124 HB3 ARG 46 HB3 ARG 46 1.298 -7.735 -8.495 125 HG2 ARG 46 HG2 ARG 46 -0.515 -7.577 -6.929 126 HG3 ARG 46 HG3 ARG 46 -0.585 -5.808 -7.060 127 HD2 ARG 46 HD2 ARG 46 -1.260 -5.938 -9.373 128 HD3 ARG 46 HD3 ARG 46 -1.112 -7.694 -9.392 129 HE ARG 46 HE ARG 46 -3.210 -6.032 -8.114 130 HH11 ARG 46 HH11 ARG 46 -2.027 -9.358 -8.542 131 HH12 ARG 46 HH12 ARG 46 -3.675 -9.987 -8.371 132 HH21 ARG 46 HH21 ARG 46 -5.233 -7.086 -7.809 133 HH22 ARG 46 HH22 ARG 46 -5.303 -8.820 -8.014 134 H ASN 47 H ASN 47 3.808 -4.975 -8.267 135 HA ASN 47 HA ASN 47 5.836 -7.106 -8.501 136 HB2 ASN 47 HB2 ASN 47 5.664 -4.234 -9.440 137 HB3 ASN 47 HB3 ASN 47 7.196 -5.087 -9.377 138 HD21 ASN 47 HD21 ASN 47 4.258 -4.723 -11.230 139 HD22 ASN 47 HD22 ASN 47 4.603 -6.089 -12.293 140 H TYR 48 H TYR 48 5.469 -4.185 -6.363 141 HA TYR 48 HA TYR 48 7.783 -4.795 -4.873 142 HB2 TYR 48 HB2 TYR 48 5.273 -3.350 -4.059 143 HB3 TYR 48 HB3 TYR 48 6.625 -3.571 -3.045 144 HD1 TYR 48 HD1 TYR 48 8.702 -2.346 -3.232 145 HD2 TYR 48 HD2 TYR 48 5.353 -1.511 -5.781 146 HE1 TYR 48 HE1 TYR 48 9.673 -0.129 -3.767 147 HE2 TYR 48 HE2 TYR 48 6.317 0.716 -6.311 148 HH TYR 48 HH TYR 48 9.332 1.902 -4.798 149 H LEU 49 H LEU 49 4.697 -6.439 -4.676 150 HA LEU 49 HA LEU 49 5.583 -8.038 -2.396 151 HB2 LEU 49 HB2 LEU 49 3.426 -8.263 -4.518 152 HB3 LEU 49 HB3 LEU 49 3.825 -9.678 -3.561 153 HG LEU 49 HG LEU 49 3.143 -7.055 -2.239 154 HD11 LEU 49 HD11 LEU 49 1.228 -7.663 -3.651 155 HD12 LEU 49 HD12 LEU 49 0.844 -8.047 -1.961 156 HD13 LEU 49 HD13 LEU 49 1.302 -9.346 -3.075 157 HD21 LEU 49 HD21 LEU 49 4.201 -8.717 -0.811 158 HD22 LEU 49 HD22 LEU 49 3.025 -9.949 -1.300 159 HD23 LEU 49 HD23 LEU 49 2.512 -8.532 -0.354 160 H LYS 50 H LYS 50 5.694 -8.708 -5.949 161 HA LYS 50 HA LYS 50 6.866 -11.322 -5.519 162 HB2 LYS 50 HB2 LYS 50 6.917 -9.571 -8.002 163 HB3 LYS 50 HB3 LYS 50 7.317 -11.297 -7.893 164 HG2 LYS 50 HG2 LYS 50 5.069 -11.916 -7.354 165 HG3 LYS 50 HG3 LYS 50 4.551 -10.248 -7.193 166 HD2 LYS 50 HD2 LYS 50 5.468 -11.576 -9.775 167 HD3 LYS 50 HD3 LYS 50 3.797 -11.237 -9.313 168 HE2 LYS 50 HE2 LYS 50 4.343 -8.780 -9.266 169 HE3 LYS 50 HE3 LYS 50 5.972 -9.160 -9.842 170 HZ1 LYS 50 HZ1 LYS 50 3.443 -9.634 -11.324 171 HZ2 LYS 50 HZ2 LYS 50 4.900 -10.220 -11.806 172 HZ3 LYS 50 HZ3 LYS 50 4.645 -8.614 -11.751 173 H LYS 51 H LYS 51 8.352 -8.172 -6.339 174 HA LYS 51 HA LYS 51 11.063 -9.121 -6.258 175 HB2 LYS 51 HB2 LYS 51 10.226 -7.319 -7.683 176 HB3 LYS 51 HB3 LYS 51 9.905 -6.326 -6.257 177 HG2 LYS 51 HG2 LYS 51 12.217 -6.205 -5.714 178 HG3 LYS 51 HG3 LYS 51 12.627 -7.504 -6.841 179 HD2 LYS 51 HD2 LYS 51 12.123 -6.078 -8.752 180 HD3 LYS 51 HD3 LYS 51 11.574 -4.814 -7.634 181 HE2 LYS 51 HE2 LYS 51 13.808 -4.572 -6.696 182 HE3 LYS 51 HE3 LYS 51 14.419 -5.886 -7.717 183 HZ1 LYS 51 HZ1 LYS 51 13.211 -3.426 -8.849 184 HZ2 LYS 51 HZ2 LYS 51 14.844 -3.575 -8.612 185 HZ3 LYS 51 HZ3 LYS 51 14.067 -4.571 -9.648 186 H GLY 52 H GLY 52 8.864 -8.483 -3.676 187 HA2 GLY 52 HA2 GLY 52 11.154 -7.790 -1.860 188 HA3 GLY 52 HA3 GLY 52 9.542 -7.133 -1.762 189 H THR 53 H THR 53 8.448 -10.113 -2.151 190 HA THR 53 HA THR 53 8.949 -10.974 0.656 191 HB THR 53 HB THR 53 6.835 -12.003 0.601 192 HG1 THR 53 HG1 THR 53 6.578 -11.066 -2.110 193 HG21 THR 53 HG21 THR 53 5.314 -10.213 0.440 194 HG22 THR 53 HG22 THR 53 6.411 -9.287 -0.628 195 HG23 THR 53 HG23 THR 53 6.841 -9.591 1.063 196 H LYS 54 H LYS 54 8.902 -13.218 1.133 197 HA LYS 54 HA LYS 54 10.559 -14.841 -0.534 198 HB2 LYS 54 HB2 LYS 54 8.916 -15.589 1.928 199 HB3 LYS 54 HB3 LYS 54 10.178 -16.562 1.218 200 HG2 LYS 54 HG2 LYS 54 11.874 -14.907 1.673 201 HG3 LYS 54 HG3 LYS 54 10.707 -13.753 2.292 202 HD2 LYS 54 HD2 LYS 54 11.251 -16.472 3.547 203 HD3 LYS 54 HD3 LYS 54 12.038 -14.978 4.036 204 HE2 LYS 54 HE2 LYS 54 9.059 -15.543 4.270 205 HE3 LYS 54 HE3 LYS 54 10.253 -15.624 5.565 206 HZ1 LYS 54 HZ1 LYS 54 9.314 -13.513 5.772 207 HZ2 LYS 54 HZ2 LYS 54 9.313 -13.226 4.145 208 HZ3 LYS 54 HZ3 LYS 54 10.728 -13.200 4.994 209 H ASN 55 H ASN 55 7.064 -14.769 0.030 210 HA ASN 55 HA ASN 55 6.464 -16.066 -2.492 211 HB2 ASN 55 HB2 ASN 55 6.800 -18.056 -1.058 212 HB3 ASN 55 HB3 ASN 55 5.872 -17.301 0.242 213 HD21 ASN 55 HD21 ASN 55 4.393 -19.000 0.393 214 HD22 ASN 55 HD22 ASN 55 3.250 -19.363 -0.893 215 H SER 56 H SER 56 5.356 -14.258 -3.086 216 HA SER 56 HA SER 56 3.489 -12.758 -1.614 217 HB2 SER 56 HB2 SER 56 4.512 -11.959 -3.625 218 HB3 SER 56 HB3 SER 56 3.834 -13.281 -4.575 219 HG SER 56 HG SER 56 2.321 -11.943 -4.964 220 H ALA 57 H ALA 57 2.964 -15.932 -3.101 221 HA ALA 57 HA ALA 57 0.247 -15.715 -3.719 222 HB1 ALA 57 HB1 ALA 57 0.293 -18.128 -3.930 223 HB2 ALA 57 HB2 ALA 57 1.714 -18.244 -2.875 224 HB3 ALA 57 HB3 ALA 57 1.851 -17.490 -4.479 225 H GLN 58 H GLN 58 1.326 -15.557 -0.530 226 HA GLN 58 HA GLN 58 -1.095 -16.824 0.616 227 HB2 GLN 58 HB2 GLN 58 -0.002 -16.493 2.748 228 HB3 GLN 58 HB3 GLN 58 1.072 -17.327 1.623 229 HG2 GLN 58 HG2 GLN 58 2.206 -15.090 1.160 230 HG3 GLN 58 HG3 GLN 58 1.230 -14.372 2.416 231 HE21 GLN 58 HE21 GLN 58 4.208 -15.211 1.832 232 HE22 GLN 58 HE22 GLN 58 4.677 -15.888 3.365 233 H PHE 59 H PHE 59 -0.295 -13.755 -0.660 234 HA PHE 59 HA PHE 59 -1.777 -12.234 1.380 235 HB2 PHE 59 HB2 PHE 59 -0.189 -11.417 -1.037 236 HB3 PHE 59 HB3 PHE 59 -1.154 -10.292 -0.087 237 HD1 PHE 59 HD1 PHE 59 -0.660 -9.897 2.328 238 HD2 PHE 59 HD2 PHE 59 1.946 -12.277 -0.118 239 HE1 PHE 59 HE1 PHE 59 1.103 -9.739 4.065 240 HE2 PHE 59 HE2 PHE 59 3.717 -12.116 1.599 241 HZ PHE 59 HZ PHE 59 3.301 -10.853 3.699 242 H GLU 60 H GLU 60 -3.517 -10.866 0.981 243 HA GLU 60 HA GLU 60 -5.493 -11.954 -1.007 244 HB2 GLU 60 HB2 GLU 60 -5.737 -13.070 1.132 245 HB3 GLU 60 HB3 GLU 60 -5.674 -11.550 1.999 246 HG2 GLU 60 HG2 GLU 60 -7.833 -10.875 1.014 247 HG3 GLU 60 HG3 GLU 60 -7.898 -12.381 0.096 248 H LYS 61 H LYS 61 -4.713 -9.230 1.224 249 HA LYS 61 HA LYS 61 -5.624 -7.419 -0.876 250 HB2 LYS 61 HB2 LYS 61 -7.181 -6.159 0.279 251 HB3 LYS 61 HB3 LYS 61 -7.683 -7.815 0.511 252 HG2 LYS 61 HG2 LYS 61 -7.150 -7.769 2.832 253 HG3 LYS 61 HG3 LYS 61 -6.093 -6.363 2.667 254 HD2 LYS 61 HD2 LYS 61 -7.845 -4.865 2.384 255 HD3 LYS 61 HD3 LYS 61 -9.015 -6.092 1.911 256 HE2 LYS 61 HE2 LYS 61 -7.786 -6.152 4.673 257 HE3 LYS 61 HE3 LYS 61 -9.090 -5.019 4.305 258 HZ1 LYS 61 HZ1 LYS 61 -9.306 -7.964 3.952 259 HZ2 LYS 61 HZ2 LYS 61 -10.511 -6.860 3.701 260 HZ3 LYS 61 HZ3 LYS 61 -9.896 -7.145 5.201 261 H MET 62 H MET 62 -5.294 -5.154 -0.323 262 HA MET 62 HA MET 62 -3.108 -4.643 1.608 263 HB2 MET 62 HB2 MET 62 -1.869 -3.284 0.011 264 HB3 MET 62 HB3 MET 62 -2.005 -4.954 -0.526 265 HG2 MET 62 HG2 MET 62 -3.830 -4.308 -2.084 266 HG3 MET 62 HG3 MET 62 -3.662 -2.623 -1.565 267 HE1 MET 62 HE1 MET 62 -3.521 -3.609 -4.648 268 HE2 MET 62 HE2 MET 62 -2.177 -2.606 -5.217 269 HE3 MET 62 HE3 MET 62 -3.394 -1.907 -4.127 270 H VAL 63 H VAL 63 -2.813 -2.444 2.165 271 HA VAL 63 HA VAL 63 -5.022 -0.554 1.645 272 HB VAL 63 HB VAL 63 -4.067 -1.198 4.471 273 HG11 VAL 63 HG11 VAL 63 -6.010 0.312 5.054 274 HG12 VAL 63 HG12 VAL 63 -6.153 0.734 3.346 275 HG13 VAL 63 HG13 VAL 63 -4.680 1.158 4.252 276 HG21 VAL 63 HG21 VAL 63 -5.594 -2.985 3.649 277 HG22 VAL 63 HG22 VAL 63 -6.790 -1.735 3.241 278 HG23 VAL 63 HG23 VAL 63 -6.306 -1.998 4.918 279 H ILE 64 H ILE 64 -4.272 1.512 1.446 280 HA ILE 64 HA ILE 64 -1.304 1.955 1.618 281 HB ILE 64 HB ILE 64 -3.298 2.836 -0.496 282 HG12 ILE 64 HG12 ILE 64 -1.091 0.897 -1.168 283 HG13 ILE 64 HG13 ILE 64 -2.556 0.253 -0.442 284 HG21 ILE 64 HG21 ILE 64 -1.404 4.403 -0.272 285 HG22 ILE 64 HG22 ILE 64 -1.304 3.536 -1.796 286 HG23 ILE 64 HG23 ILE 64 -0.255 3.059 -0.449 287 HD11 ILE 64 HD11 ILE 64 -3.943 1.195 -2.212 288 HD12 ILE 64 HD12 ILE 64 -2.677 0.145 -2.871 289 HD13 ILE 64 HD13 ILE 64 -2.509 1.907 -2.984 290 H LEU 65 H LEU 65 -0.673 3.884 2.506 291 HA LEU 65 HA LEU 65 -2.722 6.020 2.948 292 HB2 LEU 65 HB2 LEU 65 -0.344 5.778 4.793 293 HB3 LEU 65 HB3 LEU 65 -1.850 6.629 5.007 294 HG LEU 65 HG LEU 65 -1.602 3.596 5.129 295 HD11 LEU 65 HD11 LEU 65 -0.485 4.702 7.039 296 HD12 LEU 65 HD12 LEU 65 -1.971 3.873 7.544 297 HD13 LEU 65 HD13 LEU 65 -1.961 5.636 7.364 298 HD21 LEU 65 HD21 LEU 65 -3.869 4.358 4.448 299 HD22 LEU 65 HD22 LEU 65 -3.908 5.469 5.833 300 HD23 LEU 65 HD23 LEU 65 -3.875 3.712 6.095 301 H THR 66 H THR 66 -2.274 7.651 1.588 302 HA THR 66 HA THR 66 0.526 7.952 0.546 303 HB THR 66 HB THR 66 -0.416 9.252 -1.245 304 HG1 THR 66 HG1 THR 66 -2.097 10.281 -0.381 305 HG21 THR 66 HG21 THR 66 -0.401 6.790 -1.521 306 HG22 THR 66 HG22 THR 66 -1.693 7.589 -2.437 307 HG23 THR 66 HG23 THR 66 -2.082 6.733 -0.929 308 H GLU 67 H GLU 67 1.204 10.252 0.048 309 HA GLU 67 HA GLU 67 0.763 12.129 2.187 310 HB2 GLU 67 HB2 GLU 67 1.532 12.819 -0.657 311 HB3 GLU 67 HB3 GLU 67 1.831 13.752 0.815 312 HG2 GLU 67 HG2 GLU 67 3.184 11.615 1.576 313 HG3 GLU 67 HG3 GLU 67 3.176 11.208 -0.128 314 H ASN 68 H ASN 68 -0.337 14.263 1.838 315 HA ASN 68 HA ASN 68 -2.257 15.404 1.770 316 HB2 ASN 68 HB2 ASN 68 -2.616 14.218 -0.990 317 HB3 ASN 68 HB3 ASN 68 -3.319 15.716 -0.417 318 HD21 ASN 68 HD21 ASN 68 -1.122 14.767 -2.489 319 HD22 ASN 68 HD22 ASN 68 0.216 15.878 -2.191 320 H LYS 69 H LYS 69 -2.467 13.100 3.155 321 HA LYS 69 HA LYS 69 -3.912 11.707 4.231 322 HB2 LYS 69 HB2 LYS 69 -5.820 13.950 3.500 323 HB3 LYS 69 HB3 LYS 69 -6.028 12.793 4.821 324 HG2 LYS 69 HG2 LYS 69 -3.917 13.590 5.862 325 HG3 LYS 69 HG3 LYS 69 -3.703 14.761 4.564 326 HD2 LYS 69 HD2 LYS 69 -4.550 15.837 6.535 327 HD3 LYS 69 HD3 LYS 69 -5.713 15.959 5.206 328 HE2 LYS 69 HE2 LYS 69 -7.012 14.076 6.230 329 HE3 LYS 69 HE3 LYS 69 -5.832 14.025 7.556 330 HZ1 LYS 69 HZ1 LYS 69 -6.422 16.396 7.976 331 HZ2 LYS 69 HZ2 LYS 69 -7.677 15.356 8.248 332 HZ3 LYS 69 HZ3 LYS 69 -7.623 16.306 6.890 333 H GLY 70 H GLY 70 -3.729 11.046 1.335 334 HA2 GLY 70 HA2 GLY 70 -6.266 9.798 0.679 335 HA3 GLY 70 HA3 GLY 70 -4.715 9.401 -0.034 336 H TYR 71 H TYR 71 -6.975 7.816 0.986 337 HA TYR 71 HA TYR 71 -5.404 5.704 2.310 338 HB2 TYR 71 HB2 TYR 71 -6.573 6.559 4.210 339 HB3 TYR 71 HB3 TYR 71 -8.065 6.757 3.304 340 HD1 TYR 71 HD1 TYR 71 -9.356 4.732 2.522 341 HD2 TYR 71 HD2 TYR 71 -6.146 4.433 5.421 342 HE1 TYR 71 HE1 TYR 71 -10.167 2.493 3.206 343 HE2 TYR 71 HE2 TYR 71 -7.017 2.240 6.137 344 HH TYR 71 HH TYR 71 -8.735 0.722 5.962 345 H TYR 72 H TYR 72 -5.704 3.825 1.207 346 HA TYR 72 HA TYR 72 -8.084 3.463 -0.534 347 HB2 TYR 72 HB2 TYR 72 -5.233 3.199 -1.547 348 HB3 TYR 72 HB3 TYR 72 -6.694 2.887 -2.453 349 HD1 TYR 72 HD1 TYR 72 -4.483 5.501 -1.061 350 HD2 TYR 72 HD2 TYR 72 -8.037 4.717 -3.382 351 HE1 TYR 72 HE1 TYR 72 -4.456 7.853 -1.903 352 HE2 TYR 72 HE2 TYR 72 -7.987 7.050 -4.244 353 HH TYR 72 HH TYR 72 -6.839 8.985 -4.312 354 H THR 73 H THR 73 -8.656 1.296 -0.843 355 HA THR 73 HA THR 73 -6.716 -0.797 -0.011 356 HB THR 73 HB THR 73 -8.154 -0.439 1.903 357 HG1 THR 73 HG1 THR 73 -7.418 -2.546 1.270 358 HG21 THR 73 HG21 THR 73 -10.507 -1.309 0.177 359 HG22 THR 73 HG22 THR 73 -10.231 0.344 0.773 360 HG23 THR 73 HG23 THR 73 -10.510 -0.960 1.923 361 H VAL 74 H VAL 74 -6.812 -2.743 -1.006 362 HA VAL 74 HA VAL 74 -8.550 -3.104 -3.396 363 HB VAL 74 HB VAL 74 -5.505 -3.046 -3.471 364 HG11 VAL 74 HG11 VAL 74 -5.765 -3.311 -5.916 365 HG12 VAL 74 HG12 VAL 74 -7.522 -3.464 -5.711 366 HG13 VAL 74 HG13 VAL 74 -6.423 -4.699 -5.054 367 HG21 VAL 74 HG21 VAL 74 -5.776 -1.145 -5.071 368 HG22 VAL 74 HG22 VAL 74 -6.291 -0.740 -3.436 369 HG23 VAL 74 HG23 VAL 74 -7.509 -1.100 -4.682 370 H TYR 75 H TYR 75 -9.090 -5.206 -3.637 371 HA TYR 75 HA TYR 75 -7.901 -7.273 -1.879 372 HB2 TYR 75 HB2 TYR 75 -10.405 -7.088 -3.552 373 HB3 TYR 75 HB3 TYR 75 -9.804 -8.641 -2.992 374 HD1 TYR 75 HD1 TYR 75 -9.588 -9.194 -0.614 375 HD2 TYR 75 HD2 TYR 75 -11.434 -5.522 -1.925 376 HE1 TYR 75 HE1 TYR 75 -10.553 -8.865 1.652 377 HE2 TYR 75 HE2 TYR 75 -12.407 -5.201 0.347 378 HH TYR 75 HH TYR 75 -12.682 -6.115 2.459 379 H LEU 76 H LEU 76 -5.970 -7.699 -2.681 380 HA LEU 76 HA LEU 76 -5.111 -8.223 -5.321 381 HB2 LEU 76 HB2 LEU 76 -4.075 -9.203 -2.633 382 HB3 LEU 76 HB3 LEU 76 -3.193 -9.344 -4.147 383 HG LEU 76 HG LEU 76 -4.028 -6.686 -2.891 384 HD11 LEU 76 HD11 LEU 76 -1.627 -6.481 -2.366 385 HD12 LEU 76 HD12 LEU 76 -1.358 -8.131 -2.970 386 HD13 LEU 76 HD13 LEU 76 -2.364 -7.861 -1.528 387 HD21 LEU 76 HD21 LEU 76 -3.770 -6.441 -5.309 388 HD22 LEU 76 HD22 LEU 76 -2.257 -7.379 -5.277 389 HD23 LEU 76 HD23 LEU 76 -2.336 -5.775 -4.529 390 H ASN 77 H ASN 77 -7.034 -10.271 -3.318 391 HA ASN 77 HA ASN 77 -6.628 -12.780 -4.668 392 HB2 ASN 77 HB2 ASN 77 -8.863 -11.450 -3.114 393 HB3 ASN 77 HB3 ASN 77 -9.283 -12.807 -4.139 394 HD21 ASN 77 HD21 ASN 77 -9.975 -13.726 -2.071 395 HD22 ASN 77 HD22 ASN 77 -8.752 -14.602 -1.147 396 H THR 78 H THR 78 -7.752 -9.774 -6.077 397 HA THR 78 HA THR 78 -8.954 -11.167 -8.380 398 HB THR 78 HB THR 78 -10.895 -9.656 -8.277 399 HG1 THR 78 HG1 THR 78 -9.561 -8.681 -5.995 400 HG21 THR 78 HG21 THR 78 -10.650 -11.080 -5.596 401 HG22 THR 78 HG22 THR 78 -11.138 -11.845 -7.132 402 HG23 THR 78 HG23 THR 78 -12.129 -10.566 -6.412 403 HA PRO 79 HA PRO 79 -6.990 -7.693 -10.493 404 HB2 PRO 79 HB2 PRO 79 -8.337 -7.786 -12.883 405 HB3 PRO 79 HB3 PRO 79 -7.130 -9.016 -12.404 406 HG2 PRO 79 HG2 PRO 79 -10.127 -9.162 -12.045 407 HG3 PRO 79 HG3 PRO 79 -9.067 -10.391 -12.818 408 HD2 PRO 79 HD2 PRO 79 -9.933 -10.530 -10.272 409 HD3 PRO 79 HD3 PRO 79 -8.264 -11.040 -10.659 410 H LEU 80 H LEU 80 -7.431 -5.539 -10.033 411 HA LEU 80 HA LEU 80 -10.049 -4.810 -9.176 412 HB2 LEU 80 HB2 LEU 80 -9.332 -2.745 -8.602 413 HB3 LEU 80 HB3 LEU 80 -7.917 -3.735 -8.364 414 HG LEU 80 HG LEU 80 -8.385 -1.812 -10.689 415 HD11 LEU 80 HD11 LEU 80 -6.675 -0.436 -9.592 416 HD12 LEU 80 HD12 LEU 80 -6.524 -1.628 -8.282 417 HD13 LEU 80 HD13 LEU 80 -8.026 -0.711 -8.486 418 HD21 LEU 80 HD21 LEU 80 -6.861 -3.644 -11.366 419 HD22 LEU 80 HD22 LEU 80 -5.904 -3.382 -9.890 420 HD23 LEU 80 HD23 LEU 80 -5.957 -2.138 -11.139 421 H ALA 81 H ALA 81 -11.729 -3.781 -10.050 422 HA ALA 81 HA ALA 81 -12.185 -4.012 -12.831 423 HB1 ALA 81 HB1 ALA 81 -13.663 -2.364 -10.740 424 HB2 ALA 81 HB2 ALA 81 -13.936 -4.086 -11.111 425 HB3 ALA 81 HB3 ALA 81 -14.287 -2.853 -12.333 426 H GLU 82 H GLU 82 -12.792 -2.353 -14.378 427 HA GLU 82 HA GLU 82 -10.610 -0.716 -14.943 428 HB2 GLU 82 HB2 GLU 82 -13.432 -0.476 -16.038 429 HB3 GLU 82 HB3 GLU 82 -11.973 0.170 -16.782 430 HG2 GLU 82 HG2 GLU 82 -12.550 -2.795 -16.300 431 HG3 GLU 82 HG3 GLU 82 -12.737 -1.935 -17.814 432 H ASP 83 H ASP 83 -13.607 0.331 -13.284 433 HA ASP 83 HA ASP 83 -12.894 3.165 -13.445 434 HB2 ASP 83 HB2 ASP 83 -14.841 1.606 -11.720 435 HB3 ASP 83 HB3 ASP 83 -14.633 3.363 -11.606 436 H ARG 84 H ARG 84 -12.163 0.552 -11.186 437 HA ARG 84 HA ARG 84 -10.834 2.300 -9.224 438 HB2 ARG 84 HB2 ARG 84 -10.760 -0.737 -9.529 439 HB3 ARG 84 HB3 ARG 84 -10.157 0.219 -8.176 440 HG2 ARG 84 HG2 ARG 84 -12.537 1.087 -7.850 441 HG3 ARG 84 HG3 ARG 84 -13.057 -0.141 -9.018 442 HD2 ARG 84 HD2 ARG 84 -11.978 -1.889 -7.573 443 HD3 ARG 84 HD3 ARG 84 -11.594 -0.649 -6.385 444 HE ARG 84 HE ARG 84 -14.155 -1.947 -6.846 445 HH11 ARG 84 HH11 ARG 84 -12.831 1.067 -5.527 446 HH12 ARG 84 HH12 ARG 84 -14.118 1.175 -4.366 447 HH21 ARG 84 HH21 ARG 84 -15.698 -1.690 -5.329 448 HH22 ARG 84 HH22 ARG 84 -15.740 -0.254 -4.320 449 H LYS 85 H LYS 85 -9.882 0.476 -12.126 450 HA LYS 85 HA LYS 85 -7.035 0.923 -11.855 451 HB2 LYS 85 HB2 LYS 85 -8.792 0.635 -14.325 452 HB3 LYS 85 HB3 LYS 85 -7.058 0.896 -14.399 453 HG2 LYS 85 HG2 LYS 85 -6.717 -1.171 -13.027 454 HG3 LYS 85 HG3 LYS 85 -8.461 -1.502 -13.165 455 HD2 LYS 85 HD2 LYS 85 -8.223 -1.505 -15.659 456 HD3 LYS 85 HD3 LYS 85 -6.514 -1.127 -15.487 457 HE2 LYS 85 HE2 LYS 85 -6.524 -3.410 -15.897 458 HE3 LYS 85 HE3 LYS 85 -6.233 -3.281 -14.162 459 HZ1 LYS 85 HZ1 LYS 85 -7.855 -4.978 -14.798 460 HZ2 LYS 85 HZ2 LYS 85 -8.561 -3.875 -13.791 461 HZ3 LYS 85 HZ3 LYS 85 -8.875 -3.822 -15.410 462 H ASN 86 H ASN 86 -9.663 3.058 -12.639 463 HA ASN 86 HA ASN 86 -7.784 5.229 -13.462 464 HB2 ASN 86 HB2 ASN 86 -10.630 4.523 -14.285 465 HB3 ASN 86 HB3 ASN 86 -9.854 6.040 -14.700 466 HD21 ASN 86 HD21 ASN 86 -10.111 2.698 -15.566 467 HD22 ASN 86 HD22 ASN 86 -9.099 2.874 -17.007 468 H VAL 87 H VAL 87 -8.826 4.532 -10.577 469 HA VAL 87 HA VAL 87 -10.300 7.011 -9.965 470 HB VAL 87 HB VAL 87 -10.821 4.798 -8.900 471 HG11 VAL 87 HG11 VAL 87 -9.586 4.040 -6.992 472 HG12 VAL 87 HG12 VAL 87 -8.398 5.354 -7.161 473 HG13 VAL 87 HG13 VAL 87 -8.513 4.082 -8.397 474 HG21 VAL 87 HG21 VAL 87 -11.347 5.778 -6.730 475 HG22 VAL 87 HG22 VAL 87 -11.607 6.984 -7.999 476 HG23 VAL 87 HG23 VAL 87 -10.161 7.069 -6.968 477 H GLU 88 H GLU 88 -9.552 8.689 -8.798 478 HA GLU 88 HA GLU 88 -6.970 9.566 -9.483 479 HB2 GLU 88 HB2 GLU 88 -8.982 10.685 -7.499 480 HB3 GLU 88 HB3 GLU 88 -7.653 11.602 -8.203 481 HG2 GLU 88 HG2 GLU 88 -9.867 10.359 -9.905 482 HG3 GLU 88 HG3 GLU 88 -10.027 11.929 -9.136 483 H LEU 89 H LEU 89 -5.037 9.608 -8.472 484 HA LEU 89 HA LEU 89 -4.726 8.766 -5.641 485 HB2 LEU 89 HB2 LEU 89 -2.708 9.374 -7.817 486 HB3 LEU 89 HB3 LEU 89 -2.265 8.970 -6.178 487 HG LEU 89 HG LEU 89 -3.807 7.145 -8.058 488 HD11 LEU 89 HD11 LEU 89 -1.451 7.517 -8.721 489 HD12 LEU 89 HD12 LEU 89 -1.712 5.861 -8.158 490 HD13 LEU 89 HD13 LEU 89 -0.914 7.044 -7.098 491 HD21 LEU 89 HD21 LEU 89 -2.631 6.658 -5.275 492 HD22 LEU 89 HD22 LEU 89 -3.239 5.384 -6.348 493 HD23 LEU 89 HD23 LEU 89 -4.355 6.597 -5.720 494 H LEU 90 H LEU 90 -4.725 10.154 -4.051 495 HA LEU 90 HA LEU 90 -4.565 12.997 -4.333 496 HB2 LEU 90 HB2 LEU 90 -4.642 11.045 -2.015 497 HB3 LEU 90 HB3 LEU 90 -4.452 12.766 -1.717 498 HG LEU 90 HG LEU 90 -6.752 11.697 -3.397 499 HD11 LEU 90 HD11 LEU 90 -8.138 11.949 -1.344 500 HD12 LEU 90 HD12 LEU 90 -6.652 12.184 -0.397 501 HD13 LEU 90 HD13 LEU 90 -6.956 10.643 -1.249 502 HD21 LEU 90 HD21 LEU 90 -7.801 13.852 -2.718 503 HD22 LEU 90 HD22 LEU 90 -6.319 14.116 -3.636 504 HD23 LEU 90 HD23 LEU 90 -6.310 14.304 -1.868 505 H GLY 91 H GLY 91 -1.973 10.670 -3.570 506 HA2 GLY 91 HA2 GLY 91 0.063 12.676 -3.979 507 HA3 GLY 91 HA3 GLY 91 -0.171 12.364 -2.266 508 H LYS 92 H LYS 92 2.214 11.903 -2.927 509 HA LYS 92 HA LYS 92 3.119 9.572 -4.129 510 HB2 LYS 92 HB2 LYS 92 4.211 11.717 -2.626 511 HB3 LYS 92 HB3 LYS 92 4.655 10.307 -1.731 512 HG2 LYS 92 HG2 LYS 92 6.445 10.631 -3.202 513 HG3 LYS 92 HG3 LYS 92 5.521 9.344 -3.971 514 HD2 LYS 92 HD2 LYS 92 6.145 10.850 -5.697 515 HD3 LYS 92 HD3 LYS 92 4.430 11.095 -5.436 516 HE2 LYS 92 HE2 LYS 92 5.472 13.244 -5.756 517 HE3 LYS 92 HE3 LYS 92 4.941 13.139 -4.075 518 HZ1 LYS 92 HZ1 LYS 92 7.198 12.756 -3.409 519 HZ2 LYS 92 HZ2 LYS 92 7.180 14.077 -4.358 520 HZ3 LYS 92 HZ3 LYS 92 7.741 12.667 -4.986 521 H MET 93 H MET 93 3.793 7.598 -3.485 522 HA MET 93 HA MET 93 2.129 6.021 -1.793 523 HB2 MET 93 HB2 MET 93 3.237 5.453 -3.997 524 HB3 MET 93 HB3 MET 93 4.768 5.307 -3.137 525 HG2 MET 93 HG2 MET 93 3.561 3.494 -1.705 526 HG3 MET 93 HG3 MET 93 2.271 3.610 -2.889 527 HE1 MET 93 HE1 MET 93 6.141 1.248 -3.177 528 HE2 MET 93 HE2 MET 93 5.149 1.678 -1.767 529 HE3 MET 93 HE3 MET 93 6.223 2.890 -2.509 530 H TYR 94 H TYR 94 3.062 7.756 0.057 531 HA TYR 94 HA TYR 94 5.408 7.331 1.442 532 HB2 TYR 94 HB2 TYR 94 3.979 9.147 2.019 533 HB3 TYR 94 HB3 TYR 94 2.626 8.110 2.270 534 HD1 TYR 94 HD1 TYR 94 6.115 7.948 3.714 535 HD2 TYR 94 HD2 TYR 94 1.904 8.428 4.454 536 HE1 TYR 94 HE1 TYR 94 6.549 7.983 6.138 537 HE2 TYR 94 HE2 TYR 94 2.338 8.422 6.912 538 HH TYR 94 HH TYR 94 5.643 7.871 8.189 539 H LYS 95 H LYS 95 2.369 5.440 2.095 540 HA LYS 95 HA LYS 95 4.076 3.278 3.223 541 HB2 LYS 95 HB2 LYS 95 3.133 5.062 4.956 542 HB3 LYS 95 HB3 LYS 95 1.594 4.282 4.671 543 HG2 LYS 95 HG2 LYS 95 2.582 3.363 6.661 544 HG3 LYS 95 HG3 LYS 95 2.561 2.108 5.430 545 HD2 LYS 95 HD2 LYS 95 4.666 2.103 6.716 546 HD3 LYS 95 HD3 LYS 95 4.952 2.394 5.016 547 HE2 LYS 95 HE2 LYS 95 6.398 3.843 6.205 548 HE3 LYS 95 HE3 LYS 95 5.139 4.876 5.530 549 HZ1 LYS 95 HZ1 LYS 95 5.221 3.851 8.324 550 HZ2 LYS 95 HZ2 LYS 95 4.083 4.893 7.743 551 HZ3 LYS 95 HZ3 LYS 95 5.656 5.362 7.872 552 H THR 96 H THR 96 3.338 1.226 2.889 553 HA THR 96 HA THR 96 0.448 0.802 2.258 554 HB THR 96 HB THR 96 2.657 -0.634 0.736 555 HG1 THR 96 HG1 THR 96 2.241 1.613 0.358 556 HG21 THR 96 HG21 THR 96 0.754 -1.307 -0.745 557 HG22 THR 96 HG22 THR 96 -0.382 -0.599 0.424 558 HG23 THR 96 HG23 THR 96 0.605 -1.997 0.864 559 H TYR 97 H TYR 97 -0.395 -0.993 3.026 560 HA TYR 97 HA TYR 97 1.174 -2.854 4.746 561 HB2 TYR 97 HB2 TYR 97 -1.593 -1.587 5.023 562 HB3 TYR 97 HB3 TYR 97 -1.002 -2.828 6.064 563 HD1 TYR 97 HD1 TYR 97 1.371 -2.364 7.175 564 HD2 TYR 97 HD2 TYR 97 -1.255 0.687 5.641 565 HE1 TYR 97 HE1 TYR 97 2.389 -0.725 8.721 566 HE2 TYR 97 HE2 TYR 97 -0.249 2.326 7.242 567 HH TYR 97 HH TYR 97 2.125 1.292 9.697 568 H PHE 98 H PHE 98 0.769 -5.006 4.449 569 HA PHE 98 HA PHE 98 -1.276 -5.877 2.439 570 HB2 PHE 98 HB2 PHE 98 1.613 -6.697 2.834 571 HB3 PHE 98 HB3 PHE 98 0.487 -7.555 1.805 572 HD1 PHE 98 HD1 PHE 98 2.451 -4.416 2.170 573 HD2 PHE 98 HD2 PHE 98 -0.165 -6.733 -0.347 574 HE1 PHE 98 HE1 PHE 98 3.093 -3.027 0.194 575 HE2 PHE 98 HE2 PHE 98 0.536 -5.385 -2.319 576 HZ PHE 98 HZ PHE 98 2.200 -3.574 -2.045 577 H PHE 99 H PHE 99 -2.340 -7.726 2.806 578 HA PHE 99 HA PHE 99 -2.124 -8.918 5.542 579 HB2 PHE 99 HB2 PHE 99 -4.596 -8.092 3.960 580 HB3 PHE 99 HB3 PHE 99 -4.568 -8.787 5.571 581 HD1 PHE 99 HD1 PHE 99 -3.508 -5.756 3.608 582 HD2 PHE 99 HD2 PHE 99 -4.501 -7.368 7.468 583 HE1 PHE 99 HE1 PHE 99 -3.345 -3.493 4.586 584 HE2 PHE 99 HE2 PHE 99 -4.435 -5.076 8.427 585 HZ PHE 99 HZ PHE 99 -3.797 -3.148 7.007 586 H LYS 100 H LYS 100 -2.040 -11.080 5.608 587 HA LYS 100 HA LYS 100 -2.140 -12.700 3.237 588 HB2 LYS 100 HB2 LYS 100 -2.032 -13.474 6.151 589 HB3 LYS 100 HB3 LYS 100 -1.893 -14.619 4.796 590 HG2 LYS 100 HG2 LYS 100 0.177 -14.104 4.279 591 HG3 LYS 100 HG3 LYS 100 0.019 -12.379 4.567 592 HD2 LYS 100 HD2 LYS 100 0.245 -12.739 6.986 593 HD3 LYS 100 HD3 LYS 100 0.258 -14.496 6.752 594 HE2 LYS 100 HE2 LYS 100 2.345 -14.292 5.410 595 HE3 LYS 100 HE3 LYS 100 2.360 -12.551 5.719 596 HZ1 LYS 100 HZ1 LYS 100 2.411 -14.590 7.888 597 HZ2 LYS 100 HZ2 LYS 100 2.703 -12.971 8.033 598 HZ3 LYS 100 HZ3 LYS 100 3.754 -13.953 7.220 599 H LYS 101 H LYS 101 -3.372 -14.607 2.914 600 HA LYS 101 HA LYS 101 -6.251 -14.501 2.946 601 HB2 LYS 101 HB2 LYS 101 -4.285 -16.771 2.442 602 HB3 LYS 101 HB3 LYS 101 -6.019 -16.860 2.126 603 HG2 LYS 101 HG2 LYS 101 -5.889 -15.197 0.377 604 HG3 LYS 101 HG3 LYS 101 -4.207 -14.822 0.768 605 HD2 LYS 101 HD2 LYS 101 -3.574 -17.157 0.178 606 HD3 LYS 101 HD3 LYS 101 -5.233 -17.466 -0.347 607 HE2 LYS 101 HE2 LYS 101 -3.479 -15.246 -1.501 608 HE3 LYS 101 HE3 LYS 101 -3.481 -16.890 -2.136 609 HZ1 LYS 101 HZ1 LYS 101 -5.834 -16.681 -2.610 610 HZ2 LYS 101 HZ2 LYS 101 -5.844 -15.099 -2.087 611 HZ3 LYS 101 HZ3 LYS 101 -4.987 -15.521 -3.396 612 H GLY 102 H GLY 102 -6.126 -13.918 5.348 613 HA2 GLY 102 HA2 GLY 102 -7.573 -15.312 7.043 614 HA3 GLY 102 HA3 GLY 102 -6.085 -16.251 7.212 615 H GLU 103 H GLU 103 -6.594 -12.707 6.876 616 HA GLU 103 HA GLU 103 -5.393 -12.162 9.533 617 HB2 GLU 103 HB2 GLU 103 -3.592 -12.686 7.814 618 HB3 GLU 103 HB3 GLU 103 -4.154 -11.282 6.891 619 HG2 GLU 103 HG2 GLU 103 -3.432 -9.750 8.478 620 HG3 GLU 103 HG3 GLU 103 -3.279 -10.973 9.749 621 H SER 104 H SER 104 -5.887 -10.117 10.290 622 HA SER 104 HA SER 104 -6.670 -7.972 8.401 623 HB2 SER 104 HB2 SER 104 -8.420 -8.748 10.736 624 HB3 SER 104 HB3 SER 104 -8.588 -7.274 9.774 625 HG SER 104 HG SER 104 -9.106 -9.954 9.154 626 H LYS 105 H LYS 105 -4.278 -8.505 9.770 627 HA LYS 105 HA LYS 105 -3.781 -5.725 10.531 628 HB2 LYS 105 HB2 LYS 105 -4.095 -6.557 12.777 629 HB3 LYS 105 HB3 LYS 105 -3.136 -8.008 12.427 630 HG2 LYS 105 HG2 LYS 105 -1.074 -6.709 12.318 631 HG3 LYS 105 HG3 LYS 105 -1.969 -5.193 12.540 632 HD2 LYS 105 HD2 LYS 105 -2.695 -5.818 14.710 633 HD3 LYS 105 HD3 LYS 105 -2.164 -7.508 14.481 634 HE2 LYS 105 HE2 LYS 105 0.195 -6.667 14.420 635 HE3 LYS 105 HE3 LYS 105 -0.426 -5.075 14.913 636 HZ1 LYS 105 HZ1 LYS 105 -0.732 -7.603 16.440 637 HZ2 LYS 105 HZ2 LYS 105 -1.308 -6.113 16.912 638 HZ3 LYS 105 HZ3 LYS 105 0.305 -6.396 16.803 639 H SER 106 H SER 106 -2.108 -5.217 9.214 640 HA SER 106 HA SER 106 -1.219 -7.094 7.366 641 HB2 SER 106 HB2 SER 106 0.358 -5.496 6.554 642 HB3 SER 106 HB3 SER 106 -1.066 -4.627 7.139 643 HG SER 106 HG SER 106 1.480 -4.931 8.428 644 H SER 107 H SER 107 0.545 -8.346 6.981 645 HA SER 107 HA SER 107 2.584 -8.618 9.175 646 HB2 SER 107 HB2 SER 107 1.273 -10.623 8.777 647 HB3 SER 107 HB3 SER 107 1.651 -10.581 7.049 648 HG SER 107 HG SER 107 3.677 -10.710 9.040 649 H TYR 108 H TYR 108 2.152 -7.409 6.041 650 HA TYR 108 HA TYR 108 5.081 -7.063 5.725 651 HB2 TYR 108 HB2 TYR 108 4.504 -8.925 4.310 652 HB3 TYR 108 HB3 TYR 108 3.148 -8.065 3.618 653 HD1 TYR 108 HD1 TYR 108 6.850 -7.725 4.048 654 HD2 TYR 108 HD2 TYR 108 3.477 -7.158 1.457 655 HE1 TYR 108 HE1 TYR 108 8.397 -7.119 2.162 656 HE2 TYR 108 HE2 TYR 108 5.004 -6.570 -0.408 657 HH TYR 108 HH TYR 108 7.246 -6.436 -1.132 658 H VAL 109 H VAL 109 5.654 -5.110 5.091 659 HA VAL 109 HA VAL 109 3.718 -3.128 4.083 660 HB VAL 109 HB VAL 109 3.363 -2.667 6.194 661 HG11 VAL 109 HG11 VAL 109 4.487 -4.181 7.437 662 HG12 VAL 109 HG12 VAL 109 5.096 -2.653 8.087 663 HG13 VAL 109 HG13 VAL 109 6.059 -3.593 6.906 664 HG21 VAL 109 HG21 VAL 109 5.750 -0.871 6.070 665 HG22 VAL 109 HG22 VAL 109 4.382 -0.747 7.177 666 HG23 VAL 109 HG23 VAL 109 4.125 -0.502 5.460 667 H ILE 110 H ILE 110 4.603 -1.199 3.359 668 HA ILE 110 HA ILE 110 7.487 -1.349 2.588 669 HB ILE 110 HB ILE 110 5.179 -0.864 0.696 670 HG12 ILE 110 HG12 ILE 110 6.631 -3.433 1.392 671 HG13 ILE 110 HG13 ILE 110 4.917 -3.149 1.288 672 HG21 ILE 110 HG21 ILE 110 8.137 -1.432 0.214 673 HG22 ILE 110 HG22 ILE 110 7.387 0.175 0.093 674 HG23 ILE 110 HG23 ILE 110 6.948 -1.091 -1.050 675 HD11 ILE 110 HD11 ILE 110 5.455 -4.457 -0.574 676 HD12 ILE 110 HD12 ILE 110 6.916 -3.533 -0.918 677 HD13 ILE 110 HD13 ILE 110 5.289 -2.829 -1.239 678 H ASN 111 H ASN 111 8.447 0.426 3.056 679 HA ASN 111 HA ASN 111 6.972 2.988 3.479 680 HB2 ASN 111 HB2 ASN 111 9.904 2.347 3.976 681 HB3 ASN 111 HB3 ASN 111 9.020 3.744 4.553 682 HD21 ASN 111 HD21 ASN 111 10.555 1.434 5.881 683 HD22 ASN 111 HD22 ASN 111 9.441 0.994 7.178 684 H GLY 112 H GLY 112 6.726 4.106 1.594 685 HA2 GLY 112 HA2 GLY 112 8.717 3.721 -0.620 686 HA3 GLY 112 HA3 GLY 112 6.991 4.018 -0.795 687 HA PRO 113 HA PRO 113 9.197 8.108 -1.278 688 HB2 PRO 113 HB2 PRO 113 7.999 8.870 -3.620 689 HB3 PRO 113 HB3 PRO 113 9.468 7.859 -3.567 690 HG2 PRO 113 HG2 PRO 113 6.599 6.948 -3.868 691 HG3 PRO 113 HG3 PRO 113 8.039 6.466 -4.815 692 HD2 PRO 113 HD2 PRO 113 7.075 4.953 -2.763 693 HD3 PRO 113 HD3 PRO 113 8.830 5.074 -3.081 694 H GLY 114 H GLY 114 8.342 9.499 -0.050 695 HA2 GLY 114 HA2 GLY 114 6.393 11.145 0.214 696 HA3 GLY 114 HA3 GLY 114 5.442 9.683 0.508 697 H LYS 115 H LYS 115 5.871 11.764 2.412 698 HA LYS 115 HA LYS 115 7.681 10.470 4.450 699 HB2 LYS 115 HB2 LYS 115 8.520 12.370 2.980 700 HB3 LYS 115 HB3 LYS 115 7.420 13.443 3.855 701 HG2 LYS 115 HG2 LYS 115 8.638 13.139 5.915 702 HG3 LYS 115 HG3 LYS 115 9.474 11.708 5.272 703 HD2 LYS 115 HD2 LYS 115 10.555 13.141 3.543 704 HD3 LYS 115 HD3 LYS 115 9.842 14.571 4.313 705 HE2 LYS 115 HE2 LYS 115 11.137 14.241 6.307 706 HE3 LYS 115 HE3 LYS 115 11.612 12.605 5.807 707 HZ1 LYS 115 HZ1 LYS 115 12.895 13.519 4.021 708 HZ2 LYS 115 HZ2 LYS 115 13.362 14.277 5.403 709 HZ3 LYS 115 HZ3 LYS 115 12.397 15.055 4.322 710 H THR 116 H THR 116 4.537 11.732 4.034 711 HA THR 116 HA THR 116 3.742 11.362 6.767 712 HB THR 116 HB THR 116 4.848 13.492 7.160 713 HG1 THR 116 HG1 THR 116 3.155 14.592 7.925 714 HG21 THR 116 HG21 THR 116 3.168 14.661 4.898 715 HG22 THR 116 HG22 THR 116 4.933 14.454 4.879 716 HG23 THR 116 HG23 THR 116 4.190 15.575 6.026 717 H ASN 117 H ASN 117 1.332 11.674 6.907 718 HA ASN 117 HA ASN 117 0.009 11.531 4.273 719 HB2 ASN 117 HB2 ASN 117 -1.056 11.469 7.125 720 HB3 ASN 117 HB3 ASN 117 -2.032 11.288 5.673 721 HD21 ASN 117 HD21 ASN 117 -0.682 9.504 4.094 722 HD22 ASN 117 HD22 ASN 117 -0.309 8.050 5.017 723 H GLU 118 H GLU 118 0.892 14.000 6.596 724 HA GLU 118 HA GLU 118 -1.290 15.817 5.821 725 HB2 GLU 118 HB2 GLU 118 1.002 16.006 7.814 726 HB3 GLU 118 HB3 GLU 118 -0.174 17.284 7.540 727 HG2 GLU 118 HG2 GLU 118 -2.018 15.702 8.129 728 HG3 GLU 118 HG3 GLU 118 -0.800 14.489 8.546 729 H TYR 119 H TYR 119 -1.067 16.725 3.816 730 HA TYR 119 HA TYR 119 -0.210 18.063 2.162 731 HB2 TYR 119 HB2 TYR 119 -0.396 20.317 2.897 732 HB3 TYR 119 HB3 TYR 119 -1.601 19.306 3.660 733 HD1 TYR 119 HD1 TYR 119 -1.408 18.722 6.100 734 HD2 TYR 119 HD2 TYR 119 1.123 21.628 4.184 735 HE1 TYR 119 HE1 TYR 119 -0.713 19.601 8.336 736 HE2 TYR 119 HE2 TYR 119 1.812 22.505 6.394 737 HH TYR 119 HH TYR 119 1.442 22.431 8.639 738 H ALA 120 H ALA 120 1.818 16.679 2.016 739 HA ALA 120 HA ALA 120 4.268 17.686 3.025 740 HB1 ALA 120 HB1 ALA 120 3.704 15.293 2.604 741 HB2 ALA 120 HB2 ALA 120 5.209 15.763 1.802 742 HB3 ALA 120 HB3 ALA 120 3.706 15.629 0.859 743 H TYR 121 H TYR 121 2.910 19.555 1.151 744 HA TYR 121 HA TYR 121 5.377 20.668 0.117 745 HB2 TYR 121 HB2 TYR 121 4.662 19.278 -1.838 746 HB3 TYR 121 HB3 TYR 121 3.156 20.182 -1.906 747 HD1 TYR 121 HD1 TYR 121 6.859 20.414 -2.289 748 HD2 TYR 121 HD2 TYR 121 3.082 22.394 -2.876 749 HE1 TYR 121 HE1 TYR 121 7.998 22.193 -3.627 750 HE2 TYR 121 HE2 TYR 121 4.209 24.183 -4.164 751 HH TYR 121 HH TYR 121 6.189 25.008 -4.930 752 H1 ACE 6 H1 ACE 6 16.431 7.269 -5.080 753 H2 ACE 6 H2 ACE 6 14.724 6.853 -4.854 754 H3 ACE 6 H3 ACE 6 15.217 7.937 -6.184 755 H THR 7 H THR 7 14.928 4.741 -7.961 756 HA THR 7 HA THR 7 13.117 6.523 -6.407 757 HB THR 7 HB THR 7 13.988 7.673 -8.471 758 HG1 THR 7 HG1 THR 7 11.707 8.129 -9.163 759 HG21 THR 7 HG21 THR 7 13.089 7.113 -10.638 760 HG22 THR 7 HG22 THR 7 12.162 5.752 -9.972 761 HG23 THR 7 HG23 THR 7 13.939 5.706 -10.012 762 H THR 8 H THR 8 13.680 3.586 -6.912 763 HA THR 8 HA THR 8 10.927 2.780 -6.387 764 HB THR 8 HB THR 8 11.225 2.537 -8.864 765 HG1 THR 8 HG1 THR 8 10.586 0.373 -7.160 766 HG21 THR 8 HG21 THR 8 12.847 0.070 -8.134 767 HG22 THR 8 HG22 THR 8 12.274 0.559 -9.739 768 HG23 THR 8 HG23 THR 8 13.499 1.532 -8.910 769 HA PRO 9 HA PRO 9 13.729 -0.723 -5.009 770 HB2 PRO 9 HB2 PRO 9 16.271 -0.443 -4.261 771 HB3 PRO 9 HB3 PRO 9 15.716 -0.481 -5.976 772 HG2 PRO 9 HG2 PRO 9 16.280 1.967 -4.276 773 HG3 PRO 9 HG3 PRO 9 16.943 1.586 -5.901 774 HD2 PRO 9 HD2 PRO 9 14.751 3.149 -5.497 775 HD3 PRO 9 HD3 PRO 9 14.937 2.116 -6.955 776 H ASP 10 H ASP 10 12.090 -0.287 -3.607 777 HA ASP 10 HA ASP 10 12.972 -0.279 -0.768 778 HB2 ASP 10 HB2 ASP 10 10.678 1.400 -1.904 779 HB3 ASP 10 HB3 ASP 10 10.856 1.005 -0.205 780 HN2 TYS 11 HN2 TYS 11 12.842 -2.565 -1.312 781 HA TYS 11 HA TYS 11 10.218 -3.614 -2.193 782 HB2 TYS 11 HB2 TYS 11 13.029 -4.614 -2.690 783 HB3 TYS 11 HB3 TYS 11 11.608 -5.641 -2.853 784 HD1 TYS 11 HD1 TYS 11 9.587 -4.792 -4.078 785 HD2 TYS 11 HD2 TYS 11 13.469 -3.024 -4.584 786 HE1 TYS 11 HE1 TYS 11 8.792 -3.599 -6.029 787 HE2 TYS 11 HE2 TYS 11 12.634 -1.870 -6.621 788 H GLY 12 H GLY 12 10.032 -2.892 -0.269 789 HA2 GLY 12 HA2 GLY 12 8.801 -3.123 1.608 790 HA3 GLY 12 HA3 GLY 12 8.444 -4.680 0.923 791 H HIS 13 H HIS 13 8.130 -4.506 3.683 792 HA HIS 13 HA HIS 13 10.189 -6.429 4.575 793 HB2 HIS 13 HB2 HIS 13 10.519 -5.256 6.674 794 HB3 HIS 13 HB3 HIS 13 11.218 -4.365 5.325 795 HD1 HIS 13 HD1 HIS 13 9.803 -2.144 4.488 796 HD2 HIS 13 HD2 HIS 13 8.371 -4.054 7.972 797 HE1 HIS 13 HE1 HIS 13 7.876 -0.710 5.439 798 HE2 HIS 13 HE2 HIS 13 7.374 -1.616 7.759 799 HN2 TYS 14 HN2 TYS 14 9.637 -7.621 6.416 800 HA TYS 14 HA TYS 14 6.710 -7.705 6.935 801 HB2 TYS 14 HB2 TYS 14 8.916 -9.775 7.222 802 HB3 TYS 14 HB3 TYS 14 7.375 -9.935 8.016 803 HD1 TYS 14 HD1 TYS 14 8.733 -9.406 4.441 804 HD2 TYS 14 HD2 TYS 14 5.559 -10.960 6.986 805 HE1 TYS 14 HE1 TYS 14 7.920 -10.715 2.655 806 HE2 TYS 14 HE2 TYS 14 4.721 -12.228 5.093 807 H ASP 15 H ASP 15 5.900 -6.866 8.642 808 HA ASP 15 HA ASP 15 7.798 -5.717 10.578 809 HB2 ASP 15 HB2 ASP 15 6.322 -4.006 10.817 810 HB3 ASP 15 HB3 ASP 15 6.120 -4.459 9.167 811 H ASP 16 H ASP 16 6.679 -5.117 12.791 812 HA ASP 16 HA ASP 16 5.129 -7.374 13.872 813 HB2 ASP 16 HB2 ASP 16 6.460 -7.729 15.806 814 HB3 ASP 16 HB3 ASP 16 7.491 -7.883 14.392 815 H LYS 17 H LYS 17 5.781 -3.967 13.915 816 HA LYS 17 HA LYS 17 3.281 -3.609 15.468 817 HB2 LYS 17 HB2 LYS 17 4.267 -1.898 16.932 818 HB3 LYS 17 HB3 LYS 17 4.842 -3.540 17.248 819 HG2 LYS 17 HG2 LYS 17 6.980 -3.055 16.192 820 HG3 LYS 17 HG3 LYS 17 6.408 -1.482 15.623 821 HD2 LYS 17 HD2 LYS 17 7.887 -1.306 17.589 822 HD3 LYS 17 HD3 LYS 17 6.281 -0.628 17.881 823 HE2 LYS 17 HE2 LYS 17 5.606 -2.660 19.100 824 HE3 LYS 17 HE3 LYS 17 7.168 -3.419 18.750 825 HZ1 LYS 17 HZ1 LYS 17 8.246 -1.779 20.094 826 HZ2 LYS 17 HZ2 LYS 17 6.854 -0.909 20.317 827 HZ3 LYS 17 HZ3 LYS 17 7.017 -2.401 20.985 828 H ASP 18 H ASP 18 5.482 -2.378 13.108 829 HA ASP 18 HA ASP 18 4.353 0.249 12.816 830 HB2 ASP 18 HB2 ASP 18 5.850 -1.621 10.949 831 HB3 ASP 18 HB3 ASP 18 5.194 -0.080 10.413 832 H THR 19 H THR 19 3.127 -2.882 11.844 833 HA THR 19 HA THR 19 1.486 -2.656 9.796 834 HB THR 19 HB THR 19 1.545 -4.708 11.117 835 HG1 THR 19 HG1 THR 19 -0.104 -4.533 9.884 836 HG21 THR 19 HG21 THR 19 0.789 -5.074 13.146 837 HG22 THR 19 HG22 THR 19 -0.171 -3.559 13.246 838 HG23 THR 19 HG23 THR 19 1.613 -3.555 13.389 839 H LEU 20 H LEU 20 -0.779 -2.455 9.419 840 HA LEU 20 HA LEU 20 -2.223 -0.379 10.958 841 HB2 LEU 20 HB2 LEU 20 -2.021 0.325 8.610 842 HB3 LEU 20 HB3 LEU 20 -2.482 -1.294 8.064 843 HG LEU 20 HG LEU 20 -4.731 -0.906 9.146 844 HD11 LEU 20 HD11 LEU 20 -3.629 1.925 9.415 845 HD12 LEU 20 HD12 LEU 20 -4.166 0.872 10.743 846 HD13 LEU 20 HD13 LEU 20 -5.339 1.491 9.570 847 HD21 LEU 20 HD21 LEU 20 -5.501 0.562 7.331 848 HD22 LEU 20 HD22 LEU 20 -4.321 -0.633 6.752 849 HD23 LEU 20 HD23 LEU 20 -3.823 1.058 7.005 850 H ASP 21 H ASP 21 -3.463 -1.412 12.349 851 HA ASP 21 HA ASP 21 -4.448 -4.149 11.910 852 HB2 ASP 21 HB2 ASP 21 -5.655 -3.826 14.059 853 HB3 ASP 21 HB3 ASP 21 -3.905 -3.807 14.138 854 H LEU 22 H LEU 22 -6.312 -4.708 11.184 855 HA LEU 22 HA LEU 22 -8.452 -2.726 10.500 856 HB2 LEU 22 HB2 LEU 22 -7.165 -5.008 9.041 857 HB3 LEU 22 HB3 LEU 22 -8.928 -4.951 8.964 858 HG LEU 22 HG LEU 22 -8.831 -2.709 7.979 859 HD11 LEU 22 HD11 LEU 22 -6.585 -1.869 7.192 860 HD12 LEU 22 HD12 LEU 22 -5.810 -3.069 8.256 861 HD13 LEU 22 HD13 LEU 22 -6.815 -1.776 8.939 862 HD21 LEU 22 HD21 LEU 22 -8.654 -4.798 6.599 863 HD22 LEU 22 HD22 LEU 22 -6.877 -4.627 6.639 864 HD23 LEU 22 HD23 LEU 22 -7.884 -3.388 5.849 865 H ASN 23 H ASN 23 -7.568 -5.238 12.569 866 HA ASN 23 HA ASN 23 -10.061 -5.219 13.877 867 HB2 ASN 23 HB2 ASN 23 -10.764 -7.401 13.704 868 HB3 ASN 23 HB3 ASN 23 -10.212 -7.147 12.065 869 HD21 ASN 23 HD21 ASN 23 -7.244 -7.542 12.943 870 HD22 ASN 23 HD22 ASN 23 -7.189 -9.279 13.189 871 H THR 24 H THR 24 -9.826 -6.231 15.927 872 HA THR 24 HA THR 24 -7.526 -5.897 17.459 873 HB THR 24 HB THR 24 -9.860 -6.190 18.140 874 HG1 THR 24 HG1 THR 24 -9.389 -6.837 20.022 875 HG21 THR 24 HG21 THR 24 -10.323 -8.292 16.805 876 HG22 THR 24 HG22 THR 24 -9.396 -9.186 18.029 877 HG23 THR 24 HG23 THR 24 -10.882 -8.326 18.492 878 HA PRO 25 HA PRO 25 -4.930 -9.308 16.134 879 HB2 PRO 25 HB2 PRO 25 -3.016 -9.341 18.062 880 HB3 PRO 25 HB3 PRO 25 -3.182 -7.969 16.922 881 HG2 PRO 25 HG2 PRO 25 -4.341 -8.189 19.727 882 HG3 PRO 25 HG3 PRO 25 -3.328 -6.874 19.069 883 HD2 PRO 25 HD2 PRO 25 -6.040 -6.701 19.098 884 HD3 PRO 25 HD3 PRO 25 -5.119 -6.078 17.700 885 H VAL 26 H VAL 26 -4.545 -11.423 16.542 886 HA VAL 26 HA VAL 26 -4.103 -13.139 18.283 887 HB VAL 26 HB VAL 26 -5.771 -12.433 19.937 888 HG11 VAL 26 HG11 VAL 26 -7.858 -13.794 18.152 889 HG12 VAL 26 HG12 VAL 26 -7.751 -12.042 18.401 890 HG13 VAL 26 HG13 VAL 26 -8.105 -13.111 19.766 891 HG21 VAL 26 HG21 VAL 26 -6.205 -15.316 19.102 892 HG22 VAL 26 HG22 VAL 26 -6.352 -14.603 20.713 893 HG23 VAL 26 HG23 VAL 26 -4.761 -14.705 19.946 894 H ASP 27 H ASP 27 -4.046 -15.169 17.477 895 HA ASP 27 HA ASP 27 -5.915 -15.888 15.260 896 HB2 ASP 27 HB2 ASP 27 -3.448 -14.996 14.696 897 HB3 ASP 27 HB3 ASP 27 -3.026 -16.675 15.039 898 H LYS 28 H LYS 28 -3.739 -17.028 17.831 899 HA LYS 28 HA LYS 28 -5.576 -19.315 18.233 900 HB2 LYS 28 HB2 LYS 28 -3.606 -20.096 16.811 901 HB3 LYS 28 HB3 LYS 28 -2.553 -19.734 18.187 902 HG2 LYS 28 HG2 LYS 28 -3.985 -21.306 19.585 903 HG3 LYS 28 HG3 LYS 28 -4.909 -21.660 18.114 904 HD2 LYS 28 HD2 LYS 28 -2.776 -22.473 17.044 905 HD3 LYS 28 HD3 LYS 28 -1.949 -22.202 18.581 906 HE2 LYS 28 HE2 LYS 28 -2.484 -24.546 18.384 907 HE3 LYS 28 HE3 LYS 28 -3.463 -23.854 19.687 908 HZ1 LYS 28 HZ1 LYS 28 -4.688 -25.345 18.094 909 HZ2 LYS 28 HZ2 LYS 28 -4.467 -24.227 16.918 910 HZ3 LYS 28 HZ3 LYS 28 -5.360 -23.862 18.252 911 HN1 NH2 29 HN1 NH2 29 -5.322 -18.460 21.611 912 HN2 NH2 29 HN2 NH2 29 -6.345 -18.844 20.240 Start of MODEL 4 1 H1 ASN 31 H1 ASN 31 6.792 15.037 -15.859 2 H2 ASN 31 H2 ASN 31 8.113 15.743 -16.538 3 H3 ASN 31 H3 ASN 31 8.297 14.566 -15.402 4 HA ASN 31 HA ASN 31 7.097 14.216 -18.054 5 HB2 ASN 31 HB2 ASN 31 9.839 13.356 -17.060 6 HB3 ASN 31 HB3 ASN 31 9.086 12.758 -18.545 7 HD21 ASN 31 HD21 ASN 31 11.502 14.072 -18.779 8 HD22 ASN 31 HD22 ASN 31 11.203 15.653 -19.527 9 H SER 32 H SER 32 8.764 11.637 -16.299 10 HA SER 32 HA SER 32 6.290 10.437 -15.329 11 HB2 SER 32 HB2 SER 32 7.837 9.134 -17.615 12 HB3 SER 32 HB3 SER 32 6.636 8.314 -16.610 13 HG SER 32 HG SER 32 6.236 10.465 -18.419 14 H GLY 33 H GLY 33 6.670 8.871 -13.817 15 HA2 GLY 33 HA2 GLY 33 8.989 7.298 -13.471 16 HA3 GLY 33 HA3 GLY 33 9.197 8.730 -12.456 17 H LEU 34 H LEU 34 6.520 9.134 -11.633 18 HA LEU 34 HA LEU 34 5.867 6.668 -10.059 19 HB2 LEU 34 HB2 LEU 34 5.660 9.613 -9.337 20 HB3 LEU 34 HB3 LEU 34 4.978 8.332 -8.358 21 HG LEU 34 HG LEU 34 7.952 8.665 -8.952 22 HD11 LEU 34 HD11 LEU 34 6.289 9.225 -6.460 23 HD12 LEU 34 HD12 LEU 34 7.017 10.444 -7.524 24 HD13 LEU 34 HD13 LEU 34 8.061 9.365 -6.590 25 HD21 LEU 34 HD21 LEU 34 6.456 6.756 -7.092 26 HD22 LEU 34 HD22 LEU 34 8.214 7.001 -7.110 27 HD23 LEU 34 HD23 LEU 34 7.420 6.307 -8.520 28 HA PRO 35 HA PRO 35 1.882 6.795 -11.891 29 HB2 PRO 35 HB2 PRO 35 0.301 5.515 -10.063 30 HB3 PRO 35 HB3 PRO 35 1.618 4.692 -10.954 31 HG2 PRO 35 HG2 PRO 35 1.741 5.908 -8.173 32 HG3 PRO 35 HG3 PRO 35 2.241 4.257 -8.673 33 HD2 PRO 35 HD2 PRO 35 4.027 6.278 -8.449 34 HD3 PRO 35 HD3 PRO 35 4.169 5.081 -9.769 35 H THR 36 H THR 36 -0.284 7.537 -11.740 36 HA THR 36 HA THR 36 -0.978 9.585 -9.681 37 HB THR 36 HB THR 36 0.028 10.723 -11.491 38 HG1 THR 36 HG1 THR 36 -2.547 11.380 -12.123 39 HG21 THR 36 HG21 THR 36 -1.037 10.864 -13.755 40 HG22 THR 36 HG22 THR 36 -2.085 9.494 -13.318 41 HG23 THR 36 HG23 THR 36 -0.323 9.284 -13.428 42 H THR 37 H THR 37 -1.973 6.775 -11.314 43 HA THR 37 HA THR 37 -4.602 7.140 -10.003 44 HB THR 37 HB THR 37 -5.749 5.809 -11.626 45 HG1 THR 37 HG1 THR 37 -3.695 5.780 -13.478 46 HG21 THR 37 HG21 THR 37 -5.776 7.213 -13.589 47 HG22 THR 37 HG22 THR 37 -4.190 7.906 -13.187 48 HG23 THR 37 HG23 THR 37 -5.592 8.234 -12.152 49 H LEU 38 H LEU 38 -5.522 5.181 -9.111 50 HA LEU 38 HA LEU 38 -3.638 3.366 -7.970 51 HB2 LEU 38 HB2 LEU 38 -6.640 3.318 -8.253 52 HB3 LEU 38 HB3 LEU 38 -5.818 1.864 -7.732 53 HG LEU 38 HG LEU 38 -5.680 4.544 -6.323 54 HD11 LEU 38 HD11 LEU 38 -7.894 3.318 -6.215 55 HD12 LEU 38 HD12 LEU 38 -7.102 3.508 -4.654 56 HD13 LEU 38 HD13 LEU 38 -7.047 1.941 -5.491 57 HD21 LEU 38 HD21 LEU 38 -4.592 1.805 -5.497 58 HD22 LEU 38 HD22 LEU 38 -4.673 3.235 -4.447 59 HD23 LEU 38 HD23 LEU 38 -3.620 3.245 -5.857 60 H GLY 39 H GLY 39 -5.443 3.062 -11.025 61 HA2 GLY 39 HA2 GLY 39 -5.097 0.411 -11.671 62 HA3 GLY 39 HA3 GLY 39 -4.953 1.713 -12.853 63 H LYS 40 H LYS 40 -2.579 2.932 -12.088 64 HA LYS 40 HA LYS 40 -0.562 0.972 -13.003 65 HB2 LYS 40 HB2 LYS 40 -0.401 3.955 -12.423 66 HB3 LYS 40 HB3 LYS 40 0.877 3.000 -13.175 67 HG2 LYS 40 HG2 LYS 40 -1.910 3.425 -14.366 68 HG3 LYS 40 HG3 LYS 40 -0.472 4.336 -14.788 69 HD2 LYS 40 HD2 LYS 40 0.645 2.320 -15.617 70 HD3 LYS 40 HD3 LYS 40 -0.757 1.320 -15.202 71 HE2 LYS 40 HE2 LYS 40 -0.979 3.738 -17.035 72 HE3 LYS 40 HE3 LYS 40 -0.498 2.147 -17.643 73 HZ1 LYS 40 HZ1 LYS 40 -2.580 1.231 -16.874 74 HZ2 LYS 40 HZ2 LYS 40 -3.060 2.678 -16.232 75 HZ3 LYS 40 HZ3 LYS 40 -2.877 2.515 -17.850 76 H LEU 41 H LEU 41 -1.235 2.819 -10.018 77 HA LEU 41 HA LEU 41 1.219 2.120 -8.691 78 HB2 LEU 41 HB2 LEU 41 -0.339 3.945 -8.061 79 HB3 LEU 41 HB3 LEU 41 -1.512 2.767 -7.487 80 HG LEU 41 HG LEU 41 1.299 2.662 -6.380 81 HD11 LEU 41 HD11 LEU 41 -0.827 4.677 -5.522 82 HD12 LEU 41 HD12 LEU 41 0.764 5.047 -6.229 83 HD13 LEU 41 HD13 LEU 41 0.660 4.313 -4.628 84 HD21 LEU 41 HD21 LEU 41 -0.421 0.996 -5.618 85 HD22 LEU 41 HD22 LEU 41 -1.425 2.328 -5.029 86 HD23 LEU 41 HD23 LEU 41 0.173 2.019 -4.308 87 H ASP 42 H ASP 42 -1.944 0.504 -8.807 88 HA ASP 42 HA ASP 42 -1.450 -1.709 -7.089 89 HB2 ASP 42 HB2 ASP 42 -3.649 -0.908 -8.038 90 HB3 ASP 42 HB3 ASP 42 -3.132 -1.422 -9.638 91 H GLU 43 H GLU 43 -0.700 -1.312 -10.549 92 HA GLU 43 HA GLU 43 0.210 -4.048 -10.906 93 HB2 GLU 43 HB2 GLU 43 -0.450 -2.471 -12.771 94 HB3 GLU 43 HB3 GLU 43 1.053 -1.582 -12.491 95 HG2 GLU 43 HG2 GLU 43 2.345 -3.685 -12.933 96 HG3 GLU 43 HG3 GLU 43 0.827 -4.541 -13.218 97 H ARG 44 H ARG 44 1.809 -0.971 -9.955 98 HA ARG 44 HA ARG 44 4.427 -2.171 -9.781 99 HB2 ARG 44 HB2 ARG 44 3.788 0.367 -9.855 100 HB3 ARG 44 HB3 ARG 44 3.629 0.219 -8.096 101 HG2 ARG 44 HG2 ARG 44 5.919 -0.730 -7.994 102 HG3 ARG 44 HG3 ARG 44 6.077 -0.614 -9.745 103 HD2 ARG 44 HD2 ARG 44 5.732 1.763 -7.871 104 HD3 ARG 44 HD3 ARG 44 7.262 1.136 -8.502 105 HE ARG 44 HE ARG 44 5.347 1.793 -10.605 106 HH11 ARG 44 HH11 ARG 44 8.053 3.054 -8.707 107 HH12 ARG 44 HH12 ARG 44 8.312 4.372 -9.803 108 HH21 ARG 44 HH21 ARG 44 5.725 3.510 -11.937 109 HH22 ARG 44 HH22 ARG 44 7.031 4.637 -11.545 110 H LEU 45 H LEU 45 1.887 -1.661 -7.247 111 HA LEU 45 HA LEU 45 3.406 -2.814 -5.115 112 HB2 LEU 45 HB2 LEU 45 0.422 -2.580 -5.574 113 HB3 LEU 45 HB3 LEU 45 1.131 -3.252 -4.107 114 HG LEU 45 HG LEU 45 1.492 -0.401 -5.106 115 HD11 LEU 45 HD11 LEU 45 -0.697 -0.836 -4.136 116 HD12 LEU 45 HD12 LEU 45 0.286 0.064 -2.958 117 HD13 LEU 45 HD13 LEU 45 0.027 -1.678 -2.760 118 HD21 LEU 45 HD21 LEU 45 2.588 -0.038 -2.867 119 HD22 LEU 45 HD22 LEU 45 3.561 -0.959 -4.000 120 HD23 LEU 45 HD23 LEU 45 2.701 -1.793 -2.683 121 H ARG 46 H ARG 46 1.321 -4.497 -7.494 122 HA ARG 46 HA ARG 46 1.666 -7.117 -6.235 123 HB2 ARG 46 HB2 ARG 46 0.904 -6.287 -9.066 124 HB3 ARG 46 HB3 ARG 46 0.926 -7.967 -8.490 125 HG2 ARG 46 HG2 ARG 46 -0.725 -7.451 -6.749 126 HG3 ARG 46 HG3 ARG 46 -0.706 -5.743 -7.189 127 HD2 ARG 46 HD2 ARG 46 -1.406 -6.589 -9.564 128 HD3 ARG 46 HD3 ARG 46 -1.863 -8.070 -8.712 129 HE ARG 46 HE ARG 46 -2.953 -5.303 -8.294 130 HH11 ARG 46 HH11 ARG 46 -3.773 -8.726 -8.122 131 HH12 ARG 46 HH12 ARG 46 -5.298 -8.312 -7.354 132 HH21 ARG 46 HH21 ARG 46 -4.697 -4.971 -7.149 133 HH22 ARG 46 HH22 ARG 46 -5.663 -6.345 -6.581 134 H ASN 47 H ASN 47 3.634 -5.158 -8.394 135 HA ASN 47 HA ASN 47 5.577 -7.366 -8.752 136 HB2 ASN 47 HB2 ASN 47 5.510 -4.483 -9.668 137 HB3 ASN 47 HB3 ASN 47 6.956 -5.485 -9.754 138 HD21 ASN 47 HD21 ASN 47 3.764 -4.981 -11.151 139 HD22 ASN 47 HD22 ASN 47 3.960 -6.203 -12.395 140 H TYR 48 H TYR 48 5.306 -4.538 -6.511 141 HA TYR 48 HA TYR 48 7.749 -5.022 -5.246 142 HB2 TYR 48 HB2 TYR 48 5.136 -3.940 -4.173 143 HB3 TYR 48 HB3 TYR 48 6.443 -4.252 -3.140 144 HD1 TYR 48 HD1 TYR 48 5.242 -1.959 -5.755 145 HD2 TYR 48 HD2 TYR 48 8.319 -2.795 -2.886 146 HE1 TYR 48 HE1 TYR 48 5.985 0.403 -5.878 147 HE2 TYR 48 HE2 TYR 48 9.054 -0.441 -3.005 148 HH TYR 48 HH TYR 48 8.895 1.494 -4.160 149 H LEU 49 H LEU 49 4.690 -6.785 -4.774 150 HA LEU 49 HA LEU 49 5.662 -8.361 -2.576 151 HB2 LEU 49 HB2 LEU 49 3.514 -8.766 -4.686 152 HB3 LEU 49 HB3 LEU 49 3.898 -10.073 -3.569 153 HG LEU 49 HG LEU 49 3.265 -7.298 -2.558 154 HD11 LEU 49 HD11 LEU 49 1.333 -8.015 -3.890 155 HD12 LEU 49 HD12 LEU 49 0.949 -8.167 -2.169 156 HD13 LEU 49 HD13 LEU 49 1.349 -9.617 -3.107 157 HD21 LEU 49 HD21 LEU 49 3.081 -10.053 -1.271 158 HD22 LEU 49 HD22 LEU 49 2.614 -8.514 -0.510 159 HD23 LEU 49 HD23 LEU 49 4.290 -8.798 -0.944 160 H LYS 50 H LYS 50 5.740 -9.147 -6.088 161 HA LYS 50 HA LYS 50 7.149 -11.640 -5.680 162 HB2 LYS 50 HB2 LYS 50 7.158 -9.817 -8.105 163 HB3 LYS 50 HB3 LYS 50 7.665 -11.513 -8.018 164 HG2 LYS 50 HG2 LYS 50 5.420 -12.274 -7.550 165 HG3 LYS 50 HG3 LYS 50 4.807 -10.620 -7.434 166 HD2 LYS 50 HD2 LYS 50 6.010 -11.841 -9.952 167 HD3 LYS 50 HD3 LYS 50 4.279 -11.729 -9.605 168 HE2 LYS 50 HE2 LYS 50 4.423 -9.262 -9.478 169 HE3 LYS 50 HE3 LYS 50 6.164 -9.332 -9.788 170 HZ1 LYS 50 HZ1 LYS 50 5.649 -10.402 -11.930 171 HZ2 LYS 50 HZ2 LYS 50 5.114 -8.873 -11.824 172 HZ3 LYS 50 HZ3 LYS 50 4.034 -10.118 -11.686 173 H LYS 51 H LYS 51 8.349 -8.364 -6.447 174 HA LYS 51 HA LYS 51 11.151 -9.008 -6.394 175 HB2 LYS 51 HB2 LYS 51 9.642 -6.424 -6.022 176 HB3 LYS 51 HB3 LYS 51 11.414 -6.546 -6.060 177 HG2 LYS 51 HG2 LYS 51 11.302 -7.555 -8.310 178 HG3 LYS 51 HG3 LYS 51 9.526 -7.317 -8.299 179 HD2 LYS 51 HD2 LYS 51 9.772 -4.946 -8.190 180 HD3 LYS 51 HD3 LYS 51 11.546 -5.105 -7.981 181 HE2 LYS 51 HE2 LYS 51 11.866 -5.900 -10.167 182 HE3 LYS 51 HE3 LYS 51 10.122 -6.121 -10.434 183 HZ1 LYS 51 HZ1 LYS 51 9.860 -3.712 -10.298 184 HZ2 LYS 51 HZ2 LYS 51 10.869 -4.114 -11.516 185 HZ3 LYS 51 HZ3 LYS 51 11.482 -3.486 -10.124 186 H GLY 52 H GLY 52 8.908 -8.651 -3.757 187 HA2 GLY 52 HA2 GLY 52 11.117 -7.998 -1.865 188 HA3 GLY 52 HA3 GLY 52 9.489 -7.370 -1.843 189 H THR 53 H THR 53 8.601 -10.484 -2.289 190 HA THR 53 HA THR 53 8.981 -11.268 0.563 191 HB THR 53 HB THR 53 6.767 -12.023 0.589 192 HG1 THR 53 HG1 THR 53 6.629 -11.277 -2.186 193 HG21 THR 53 HG21 THR 53 5.462 -10.096 0.457 194 HG22 THR 53 HG22 THR 53 6.519 -9.358 -0.784 195 HG23 THR 53 HG23 THR 53 7.090 -9.557 0.872 196 H LYS 54 H LYS 54 8.994 -13.512 1.061 197 HA LYS 54 HA LYS 54 10.370 -15.051 -0.916 198 HB2 LYS 54 HB2 LYS 54 10.721 -16.681 0.703 199 HB3 LYS 54 HB3 LYS 54 10.623 -15.182 1.622 200 HG2 LYS 54 HG2 LYS 54 8.179 -15.820 2.076 201 HG3 LYS 54 HG3 LYS 54 8.552 -17.393 1.409 202 HD2 LYS 54 HD2 LYS 54 10.330 -17.653 3.142 203 HD3 LYS 54 HD3 LYS 54 9.891 -16.057 3.806 204 HE2 LYS 54 HE2 LYS 54 7.663 -16.807 4.380 205 HE3 LYS 54 HE3 LYS 54 7.882 -18.325 3.492 206 HZ1 LYS 54 HZ1 LYS 54 9.375 -17.551 5.934 207 HZ2 LYS 54 HZ2 LYS 54 8.186 -18.710 5.837 208 HZ3 LYS 54 HZ3 LYS 54 9.621 -18.925 5.076 209 H ASN 55 H ASN 55 7.024 -14.882 0.035 210 HA ASN 55 HA ASN 55 6.166 -16.494 -2.221 211 HB2 ASN 55 HB2 ASN 55 6.638 -18.212 -0.497 212 HB3 ASN 55 HB3 ASN 55 5.818 -17.245 0.731 213 HD21 ASN 55 HD21 ASN 55 4.503 -19.038 1.290 214 HD22 ASN 55 HD22 ASN 55 3.149 -19.473 0.265 215 H SER 56 H SER 56 5.145 -14.747 -3.010 216 HA SER 56 HA SER 56 3.355 -12.961 -1.810 217 HB2 SER 56 HB2 SER 56 2.471 -12.694 -4.161 218 HB3 SER 56 HB3 SER 56 4.235 -12.587 -4.028 219 HG SER 56 HG SER 56 3.156 -14.069 -5.740 220 H ALA 57 H ALA 57 2.699 -16.328 -2.717 221 HA ALA 57 HA ALA 57 0.007 -16.035 -3.392 222 HB1 ALA 57 HB1 ALA 57 -0.085 -18.471 -3.305 223 HB2 ALA 57 HB2 ALA 57 1.382 -18.522 -2.308 224 HB3 ALA 57 HB3 ALA 57 1.464 -17.952 -3.995 225 H GLN 58 H GLN 58 1.263 -16.114 -0.184 226 HA GLN 58 HA GLN 58 -1.120 -17.134 1.141 227 HB2 GLN 58 HB2 GLN 58 0.092 -16.630 3.179 228 HB3 GLN 58 HB3 GLN 58 1.186 -17.401 2.029 229 HG2 GLN 58 HG2 GLN 58 2.038 -15.051 1.420 230 HG3 GLN 58 HG3 GLN 58 1.066 -14.427 2.727 231 HE21 GLN 58 HE21 GLN 58 4.099 -15.217 1.859 232 HE22 GLN 58 HE22 GLN 58 4.724 -15.493 3.458 233 H PHE 59 H PHE 59 -0.254 -14.048 -0.154 234 HA PHE 59 HA PHE 59 -1.684 -12.451 1.824 235 HB2 PHE 59 HB2 PHE 59 -0.301 -11.757 -0.764 236 HB3 PHE 59 HB3 PHE 59 -1.166 -10.592 0.228 237 HD1 PHE 59 HD1 PHE 59 -0.444 -10.078 2.560 238 HD2 PHE 59 HD2 PHE 59 1.929 -12.564 -0.025 239 HE1 PHE 59 HE1 PHE 59 1.494 -9.796 4.076 240 HE2 PHE 59 HE2 PHE 59 3.872 -12.262 1.464 241 HZ PHE 59 HZ PHE 59 3.666 -10.878 3.521 242 H GLU 60 H GLU 60 -3.457 -11.080 1.393 243 HA GLU 60 HA GLU 60 -5.557 -12.403 -0.317 244 HB2 GLU 60 HB2 GLU 60 -5.676 -13.024 2.005 245 HB3 GLU 60 HB3 GLU 60 -5.551 -11.345 2.538 246 HG2 GLU 60 HG2 GLU 60 -7.773 -10.914 1.414 247 HG3 GLU 60 HG3 GLU 60 -7.892 -12.652 1.117 248 H LYS 61 H LYS 61 -4.694 -9.382 1.409 249 HA LYS 61 HA LYS 61 -5.371 -7.799 -0.936 250 HB2 LYS 61 HB2 LYS 61 -7.022 -6.408 0.021 251 HB3 LYS 61 HB3 LYS 61 -7.548 -8.058 0.276 252 HG2 LYS 61 HG2 LYS 61 -6.802 -7.890 2.673 253 HG3 LYS 61 HG3 LYS 61 -6.312 -6.205 2.383 254 HD2 LYS 61 HD2 LYS 61 -8.553 -5.540 1.818 255 HD3 LYS 61 HD3 LYS 61 -9.080 -7.221 1.715 256 HE2 LYS 61 HE2 LYS 61 -8.345 -7.274 4.271 257 HE3 LYS 61 HE3 LYS 61 -8.529 -5.525 4.120 258 HZ1 LYS 61 HZ1 LYS 61 -10.586 -7.614 3.716 259 HZ2 LYS 61 HZ2 LYS 61 -10.813 -6.046 3.195 260 HZ3 LYS 61 HZ3 LYS 61 -10.645 -6.343 4.771 261 H MET 62 H MET 62 -5.188 -5.431 -0.314 262 HA MET 62 HA MET 62 -2.977 -4.841 1.547 263 HB2 MET 62 HB2 MET 62 -1.568 -3.808 -0.145 264 HB3 MET 62 HB3 MET 62 -1.839 -5.508 -0.510 265 HG2 MET 62 HG2 MET 62 -3.602 -4.836 -2.171 266 HG3 MET 62 HG3 MET 62 -3.200 -3.143 -1.859 267 HE1 MET 62 HE1 MET 62 -3.301 -4.167 -4.681 268 HE2 MET 62 HE2 MET 62 -1.758 -3.682 -5.421 269 HE3 MET 62 HE3 MET 62 -2.615 -2.560 -4.339 270 H VAL 63 H VAL 63 -2.531 -2.526 1.730 271 HA VAL 63 HA VAL 63 -4.678 -0.697 0.887 272 HB VAL 63 HB VAL 63 -5.448 -1.669 3.015 273 HG11 VAL 63 HG11 VAL 63 -4.371 -1.670 4.954 274 HG12 VAL 63 HG12 VAL 63 -3.197 -0.383 4.500 275 HG13 VAL 63 HG13 VAL 63 -3.035 -2.023 3.869 276 HG21 VAL 63 HG21 VAL 63 -4.628 1.236 3.394 277 HG22 VAL 63 HG22 VAL 63 -5.838 0.338 4.332 278 HG23 VAL 63 HG23 VAL 63 -6.120 0.656 2.623 279 H ILE 64 H ILE 64 -4.019 1.352 0.607 280 HA ILE 64 HA ILE 64 -1.099 1.920 0.802 281 HB ILE 64 HB ILE 64 -3.116 3.001 -1.219 282 HG12 ILE 64 HG12 ILE 64 -1.580 1.493 -2.789 283 HG13 ILE 64 HG13 ILE 64 -1.405 0.517 -1.343 284 HG21 ILE 64 HG21 ILE 64 -0.067 3.016 -1.126 285 HG22 ILE 64 HG22 ILE 64 -1.125 4.424 -0.872 286 HG23 ILE 64 HG23 ILE 64 -1.061 3.660 -2.452 287 HD11 ILE 64 HD11 ILE 64 -3.829 0.096 -1.338 288 HD12 ILE 64 HD12 ILE 64 -3.142 -0.260 -2.927 289 HD13 ILE 64 HD13 ILE 64 -4.042 1.246 -2.683 290 H LEU 65 H LEU 65 -0.453 3.840 1.636 291 HA LEU 65 HA LEU 65 -2.490 5.826 2.556 292 HB2 LEU 65 HB2 LEU 65 0.082 4.971 3.936 293 HB3 LEU 65 HB3 LEU 65 -0.955 6.284 4.453 294 HG LEU 65 HG LEU 65 -1.584 3.302 4.456 295 HD11 LEU 65 HD11 LEU 65 -0.123 4.232 6.270 296 HD12 LEU 65 HD12 LEU 65 -1.643 3.519 6.861 297 HD13 LEU 65 HD13 LEU 65 -1.458 5.284 6.760 298 HD21 LEU 65 HD21 LEU 65 -3.698 4.454 3.953 299 HD22 LEU 65 HD22 LEU 65 -3.416 5.599 5.284 300 HD23 LEU 65 HD23 LEU 65 -3.695 3.874 5.618 301 H THR 66 H THR 66 -2.147 7.834 1.791 302 HA THR 66 HA THR 66 0.460 8.384 0.422 303 HB THR 66 HB THR 66 -0.718 9.531 -1.322 304 HG1 THR 66 HG1 THR 66 -2.446 10.370 -0.221 305 HG21 THR 66 HG21 THR 66 -1.915 7.761 -2.427 306 HG22 THR 66 HG22 THR 66 -2.182 6.900 -0.899 307 HG23 THR 66 HG23 THR 66 -0.540 7.052 -1.572 308 H GLU 67 H GLU 67 0.770 10.791 -0.137 309 HA GLU 67 HA GLU 67 0.363 12.573 2.059 310 HB2 GLU 67 HB2 GLU 67 0.239 13.585 -0.764 311 HB3 GLU 67 HB3 GLU 67 0.850 14.374 0.661 312 HG2 GLU 67 HG2 GLU 67 2.883 13.108 0.628 313 HG3 GLU 67 HG3 GLU 67 2.268 11.997 -0.600 314 H ASN 68 H ASN 68 -1.135 14.548 1.887 315 HA ASN 68 HA ASN 68 -3.251 15.346 2.139 316 HB2 ASN 68 HB2 ASN 68 -3.594 14.069 -0.595 317 HB3 ASN 68 HB3 ASN 68 -4.603 15.345 0.045 318 HD21 ASN 68 HD21 ASN 68 -2.172 14.913 -2.080 319 HD22 ASN 68 HD22 ASN 68 -1.198 16.350 -1.781 320 H LYS 69 H LYS 69 -2.798 12.972 3.469 321 HA LYS 69 HA LYS 69 -3.689 11.176 4.504 322 HB2 LYS 69 HB2 LYS 69 -6.046 13.085 4.697 323 HB3 LYS 69 HB3 LYS 69 -5.763 11.676 5.730 324 HG2 LYS 69 HG2 LYS 69 -3.513 12.682 6.361 325 HG3 LYS 69 HG3 LYS 69 -4.001 14.146 5.499 326 HD2 LYS 69 HD2 LYS 69 -4.364 14.468 7.822 327 HD3 LYS 69 HD3 LYS 69 -5.948 14.373 7.042 328 HE2 LYS 69 HE2 LYS 69 -6.365 12.169 7.886 329 HE3 LYS 69 HE3 LYS 69 -4.668 11.945 8.332 330 HZ1 LYS 69 HZ1 LYS 69 -4.897 13.638 10.005 331 HZ2 LYS 69 HZ2 LYS 69 -5.981 12.477 10.296 332 HZ3 LYS 69 HZ3 LYS 69 -6.473 13.911 9.662 333 H GLY 70 H GLY 70 -3.963 10.822 1.651 334 HA2 GLY 70 HA2 GLY 70 -6.423 9.446 1.089 335 HA3 GLY 70 HA3 GLY 70 -4.899 9.183 0.267 336 H TYR 71 H TYR 71 -7.098 7.479 1.438 337 HA TYR 71 HA TYR 71 -5.386 5.270 2.430 338 HB2 TYR 71 HB2 TYR 71 -6.417 6.107 4.454 339 HB3 TYR 71 HB3 TYR 71 -7.979 6.258 3.674 340 HD1 TYR 71 HD1 TYR 71 -9.209 4.116 2.923 341 HD2 TYR 71 HD2 TYR 71 -5.944 4.108 5.752 342 HE1 TYR 71 HE1 TYR 71 -9.951 1.914 3.768 343 HE2 TYR 71 HE2 TYR 71 -6.754 1.951 6.641 344 HH TYR 71 HH TYR 71 -9.588 0.237 5.262 345 H TYR 72 H TYR 72 -5.686 3.595 1.069 346 HA TYR 72 HA TYR 72 -8.297 3.180 -0.331 347 HB2 TYR 72 HB2 TYR 72 -5.580 3.182 -1.704 348 HB3 TYR 72 HB3 TYR 72 -7.135 2.868 -2.444 349 HD1 TYR 72 HD1 TYR 72 -8.806 4.777 -2.689 350 HD2 TYR 72 HD2 TYR 72 -4.708 5.393 -1.491 351 HE1 TYR 72 HE1 TYR 72 -8.948 7.150 -3.423 352 HE2 TYR 72 HE2 TYR 72 -4.850 7.771 -2.236 353 HH TYR 72 HH TYR 72 -7.871 9.143 -3.586 354 H THR 73 H THR 73 -8.791 0.953 -0.446 355 HA THR 73 HA THR 73 -6.517 -0.971 -0.211 356 HB THR 73 HB THR 73 -7.566 -1.003 1.934 357 HG1 THR 73 HG1 THR 73 -6.931 -2.970 0.970 358 HG21 THR 73 HG21 THR 73 -10.198 -1.513 0.494 359 HG22 THR 73 HG22 THR 73 -9.789 -0.170 1.583 360 HG23 THR 73 HG23 THR 73 -9.911 -1.814 2.220 361 H VAL 74 H VAL 74 -6.557 -2.834 -1.321 362 HA VAL 74 HA VAL 74 -8.713 -3.416 -3.252 363 HB VAL 74 HB VAL 74 -5.822 -2.870 -4.070 364 HG11 VAL 74 HG11 VAL 74 -8.204 -3.759 -5.763 365 HG12 VAL 74 HG12 VAL 74 -6.752 -4.720 -5.395 366 HG13 VAL 74 HG13 VAL 74 -6.602 -3.273 -6.372 367 HG21 VAL 74 HG21 VAL 74 -6.912 -1.130 -5.578 368 HG22 VAL 74 HG22 VAL 74 -6.993 -0.747 -3.866 369 HG23 VAL 74 HG23 VAL 74 -8.430 -1.397 -4.694 370 H TYR 75 H TYR 75 -8.718 -5.624 -3.860 371 HA TYR 75 HA TYR 75 -7.307 -7.430 -2.037 372 HB2 TYR 75 HB2 TYR 75 -9.472 -7.700 -4.090 373 HB3 TYR 75 HB3 TYR 75 -8.562 -9.122 -3.642 374 HD1 TYR 75 HD1 TYR 75 -10.495 -6.307 -2.035 375 HD2 TYR 75 HD2 TYR 75 -9.053 -10.353 -1.720 376 HE1 TYR 75 HE1 TYR 75 -11.909 -6.655 -0.026 377 HE2 TYR 75 HE2 TYR 75 -10.467 -10.707 0.271 378 HH TYR 75 HH TYR 75 -11.983 -9.812 1.681 379 H LEU 76 H LEU 76 -6.037 -9.156 -2.586 380 HA LEU 76 HA LEU 76 -4.393 -8.912 -5.077 381 HB2 LEU 76 HB2 LEU 76 -3.861 -10.110 -2.334 382 HB3 LEU 76 HB3 LEU 76 -2.788 -10.349 -3.707 383 HG LEU 76 HG LEU 76 -3.544 -7.558 -2.725 384 HD11 LEU 76 HD11 LEU 76 -2.483 -8.774 -0.892 385 HD12 LEU 76 HD12 LEU 76 -1.412 -7.543 -1.576 386 HD13 LEU 76 HD13 LEU 76 -1.153 -9.263 -1.970 387 HD21 LEU 76 HD21 LEU 76 -2.629 -7.591 -4.995 388 HD22 LEU 76 HD22 LEU 76 -1.293 -8.649 -4.478 389 HD23 LEU 76 HD23 LEU 76 -1.397 -6.980 -3.892 390 H ASN 77 H ASN 77 -6.643 -10.984 -3.397 391 HA ASN 77 HA ASN 77 -6.214 -13.435 -4.732 392 HB2 ASN 77 HB2 ASN 77 -8.829 -12.069 -3.975 393 HB3 ASN 77 HB3 ASN 77 -8.683 -13.770 -4.401 394 HD21 ASN 77 HD21 ASN 77 -9.785 -12.731 -2.004 395 HD22 ASN 77 HD22 ASN 77 -8.772 -13.314 -0.685 396 H THR 78 H THR 78 -7.459 -10.374 -6.075 397 HA THR 78 HA THR 78 -8.074 -11.555 -8.696 398 HB THR 78 HB THR 78 -10.217 -10.421 -8.742 399 HG1 THR 78 HG1 THR 78 -10.478 -9.849 -6.104 400 HG21 THR 78 HG21 THR 78 -10.251 -12.715 -7.790 401 HG22 THR 78 HG22 THR 78 -10.183 -12.014 -6.158 402 HG23 THR 78 HG23 THR 78 -11.570 -11.682 -7.210 403 HA PRO 79 HA PRO 79 -6.490 -7.530 -9.941 404 HB2 PRO 79 HB2 PRO 79 -7.557 -7.263 -12.443 405 HB3 PRO 79 HB3 PRO 79 -6.314 -8.496 -12.056 406 HG2 PRO 79 HG2 PRO 79 -9.310 -8.848 -12.021 407 HG3 PRO 79 HG3 PRO 79 -8.120 -9.839 -12.951 408 HD2 PRO 79 HD2 PRO 79 -9.135 -10.585 -10.575 409 HD3 PRO 79 HD3 PRO 79 -7.401 -10.862 -10.889 410 H LEU 80 H LEU 80 -7.053 -5.384 -10.072 411 HA LEU 80 HA LEU 80 -9.395 -4.721 -8.599 412 HB2 LEU 80 HB2 LEU 80 -8.419 -2.779 -8.134 413 HB3 LEU 80 HB3 LEU 80 -6.986 -3.656 -8.633 414 HG LEU 80 HG LEU 80 -8.526 -1.636 -10.324 415 HD11 LEU 80 HD11 LEU 80 -7.371 -0.660 -8.361 416 HD12 LEU 80 HD12 LEU 80 -6.667 -0.135 -9.901 417 HD13 LEU 80 HD13 LEU 80 -5.855 -1.374 -8.922 418 HD21 LEU 80 HD21 LEU 80 -7.306 -3.298 -11.726 419 HD22 LEU 80 HD22 LEU 80 -5.808 -2.891 -10.854 420 HD23 LEU 80 HD23 LEU 80 -6.625 -1.670 -11.845 421 H ALA 81 H ALA 81 -10.859 -2.894 -9.021 422 HA ALA 81 HA ALA 81 -12.431 -3.307 -11.374 423 HB1 ALA 81 HB1 ALA 81 -13.790 -1.465 -10.439 424 HB2 ALA 81 HB2 ALA 81 -12.485 -1.063 -9.303 425 HB3 ALA 81 HB3 ALA 81 -13.331 -2.619 -9.180 426 H GLU 82 H GLU 82 -12.759 -2.094 -13.232 427 HA GLU 82 HA GLU 82 -10.662 -0.440 -14.265 428 HB2 GLU 82 HB2 GLU 82 -13.519 -0.855 -15.186 429 HB3 GLU 82 HB3 GLU 82 -12.304 0.067 -16.088 430 HG2 GLU 82 HG2 GLU 82 -10.835 -1.938 -16.162 431 HG3 GLU 82 HG3 GLU 82 -12.091 -2.879 -15.347 432 H ASP 83 H ASP 83 -13.414 0.512 -12.265 433 HA ASP 83 HA ASP 83 -13.242 3.366 -12.858 434 HB2 ASP 83 HB2 ASP 83 -14.154 1.863 -10.381 435 HB3 ASP 83 HB3 ASP 83 -14.296 3.611 -10.581 436 H ARG 84 H ARG 84 -11.516 1.171 -10.683 437 HA ARG 84 HA ARG 84 -9.940 3.279 -9.377 438 HB2 ARG 84 HB2 ARG 84 -9.767 0.236 -9.300 439 HB3 ARG 84 HB3 ARG 84 -8.724 1.328 -8.397 440 HG2 ARG 84 HG2 ARG 84 -10.643 2.256 -7.187 441 HG3 ARG 84 HG3 ARG 84 -11.762 1.240 -8.105 442 HD2 ARG 84 HD2 ARG 84 -10.847 -0.784 -7.144 443 HD3 ARG 84 HD3 ARG 84 -9.544 0.117 -6.348 444 HE ARG 84 HE ARG 84 -11.671 1.329 -5.241 445 HH11 ARG 84 HH11 ARG 84 -11.170 -2.162 -5.556 446 HH12 ARG 84 HH12 ARG 84 -11.718 -2.419 -3.903 447 HH21 ARG 84 HH21 ARG 84 -12.684 0.774 -3.288 448 HH22 ARG 84 HH22 ARG 84 -12.878 -0.924 -2.926 449 H LYS 85 H LYS 85 -9.750 1.639 -12.409 450 HA LYS 85 HA LYS 85 -6.926 2.340 -12.865 451 HB2 LYS 85 HB2 LYS 85 -9.101 1.585 -14.849 452 HB3 LYS 85 HB3 LYS 85 -7.420 1.897 -15.242 453 HG2 LYS 85 HG2 LYS 85 -6.748 0.038 -13.671 454 HG3 LYS 85 HG3 LYS 85 -8.467 -0.368 -13.489 455 HD2 LYS 85 HD2 LYS 85 -8.621 -0.688 -15.971 456 HD3 LYS 85 HD3 LYS 85 -6.906 -0.268 -16.102 457 HE2 LYS 85 HE2 LYS 85 -6.404 -2.233 -14.550 458 HE3 LYS 85 HE3 LYS 85 -8.107 -2.700 -14.720 459 HZ1 LYS 85 HZ1 LYS 85 -7.734 -2.804 -17.136 460 HZ2 LYS 85 HZ2 LYS 85 -6.772 -3.857 -16.325 461 HZ3 LYS 85 HZ3 LYS 85 -6.128 -2.468 -16.920 462 H ASN 86 H ASN 86 -9.803 4.140 -12.742 463 HA ASN 86 HA ASN 86 -8.645 6.380 -14.352 464 HB2 ASN 86 HB2 ASN 86 -11.485 5.846 -13.389 465 HB3 ASN 86 HB3 ASN 86 -10.970 7.237 -14.321 466 HD21 ASN 86 HD21 ASN 86 -12.934 6.221 -15.416 467 HD22 ASN 86 HD22 ASN 86 -12.544 5.176 -16.779 468 H VAL 87 H VAL 87 -9.330 5.520 -11.033 469 HA VAL 87 HA VAL 87 -10.077 8.055 -10.046 470 HB VAL 87 HB VAL 87 -10.414 5.853 -8.939 471 HG11 VAL 87 HG11 VAL 87 -7.608 6.141 -7.816 472 HG12 VAL 87 HG12 VAL 87 -8.025 5.052 -9.149 473 HG13 VAL 87 HG13 VAL 87 -8.789 4.840 -7.559 474 HG21 VAL 87 HG21 VAL 87 -10.792 7.988 -7.742 475 HG22 VAL 87 HG22 VAL 87 -9.118 7.954 -7.152 476 HG23 VAL 87 HG23 VAL 87 -10.265 6.691 -6.663 477 H GLU 88 H GLU 88 -9.007 9.843 -9.394 478 HA GLU 88 HA GLU 88 -6.152 10.193 -9.892 479 HB2 GLU 88 HB2 GLU 88 -8.268 11.834 -8.405 480 HB3 GLU 88 HB3 GLU 88 -6.617 12.386 -8.640 481 HG2 GLU 88 HG2 GLU 88 -8.513 11.716 -10.938 482 HG3 GLU 88 HG3 GLU 88 -8.351 13.321 -10.227 483 H LEU 89 H LEU 89 -4.507 9.642 -8.566 484 HA LEU 89 HA LEU 89 -4.857 8.777 -5.817 485 HB2 LEU 89 HB2 LEU 89 -2.500 9.560 -7.575 486 HB3 LEU 89 HB3 LEU 89 -2.247 9.179 -5.894 487 HG LEU 89 HG LEU 89 -3.438 7.303 -7.967 488 HD11 LEU 89 HD11 LEU 89 -0.749 7.228 -6.536 489 HD12 LEU 89 HD12 LEU 89 -0.992 7.774 -8.197 490 HD13 LEU 89 HD13 LEU 89 -1.335 6.092 -7.779 491 HD21 LEU 89 HD21 LEU 89 -2.731 6.798 -5.045 492 HD22 LEU 89 HD22 LEU 89 -3.107 5.538 -6.239 493 HD23 LEU 89 HD23 LEU 89 -4.351 6.695 -5.778 494 H LEU 90 H LEU 90 -5.172 9.983 -4.021 495 HA LEU 90 HA LEU 90 -5.220 12.800 -3.957 496 HB2 LEU 90 HB2 LEU 90 -5.149 10.610 -1.902 497 HB3 LEU 90 HB3 LEU 90 -4.826 12.237 -1.338 498 HG LEU 90 HG LEU 90 -7.299 11.583 -2.987 499 HD11 LEU 90 HD11 LEU 90 -7.369 10.260 -0.925 500 HD12 LEU 90 HD12 LEU 90 -8.519 11.597 -0.825 501 HD13 LEU 90 HD13 LEU 90 -6.968 11.702 0.040 502 HD21 LEU 90 HD21 LEU 90 -6.676 13.994 -2.896 503 HD22 LEU 90 HD22 LEU 90 -6.631 13.907 -1.123 504 HD23 LEU 90 HD23 LEU 90 -8.157 13.669 -1.999 505 H GLY 91 H GLY 91 -2.417 10.709 -3.379 506 HA2 GLY 91 HA2 GLY 91 -0.578 12.881 -3.908 507 HA3 GLY 91 HA3 GLY 91 -0.632 12.445 -2.204 508 H LYS 92 H LYS 92 1.740 12.120 -2.974 509 HA LYS 92 HA LYS 92 2.440 9.666 -4.321 510 HB2 LYS 92 HB2 LYS 92 3.904 11.753 -2.705 511 HB3 LYS 92 HB3 LYS 92 4.625 10.193 -2.884 512 HG2 LYS 92 HG2 LYS 92 5.586 11.375 -4.611 513 HG3 LYS 92 HG3 LYS 92 4.398 10.321 -5.364 514 HD2 LYS 92 HD2 LYS 92 4.218 12.416 -6.447 515 HD3 LYS 92 HD3 LYS 92 2.808 12.299 -5.379 516 HE2 LYS 92 HE2 LYS 92 4.112 13.635 -3.661 517 HE3 LYS 92 HE3 LYS 92 5.382 13.859 -4.876 518 HZ1 LYS 92 HZ1 LYS 92 3.743 14.970 -6.281 519 HZ2 LYS 92 HZ2 LYS 92 3.778 15.705 -4.790 520 HZ3 LYS 92 HZ3 LYS 92 2.553 14.683 -5.211 521 H MET 93 H MET 93 3.336 7.814 -3.551 522 HA MET 93 HA MET 93 1.695 6.457 -1.644 523 HB2 MET 93 HB2 MET 93 2.530 5.666 -3.886 524 HB3 MET 93 HB3 MET 93 4.130 5.468 -3.177 525 HG2 MET 93 HG2 MET 93 3.053 3.814 -1.537 526 HG3 MET 93 HG3 MET 93 1.563 4.017 -2.452 527 HE1 MET 93 HE1 MET 93 5.466 3.335 -3.170 528 HE2 MET 93 HE2 MET 93 5.313 1.632 -3.656 529 HE3 MET 93 HE3 MET 93 4.823 2.130 -2.028 530 H TYR 94 H TYR 94 2.650 7.980 0.215 531 HA TYR 94 HA TYR 94 5.158 7.571 1.299 532 HB2 TYR 94 HB2 TYR 94 3.751 9.348 2.063 533 HB3 TYR 94 HB3 TYR 94 2.538 8.244 2.635 534 HD1 TYR 94 HD1 TYR 94 6.257 8.708 3.167 535 HD2 TYR 94 HD2 TYR 94 2.393 8.060 4.975 536 HE1 TYR 94 HE1 TYR 94 7.312 8.677 5.416 537 HE2 TYR 94 HE2 TYR 94 3.453 8.062 7.224 538 HH TYR 94 HH TYR 94 6.995 8.416 7.659 539 H LYS 95 H LYS 95 2.325 5.465 1.972 540 HA LYS 95 HA LYS 95 4.206 3.365 2.911 541 HB2 LYS 95 HB2 LYS 95 2.448 4.878 4.695 542 HB3 LYS 95 HB3 LYS 95 1.878 3.238 4.578 543 HG2 LYS 95 HG2 LYS 95 3.255 2.862 6.274 544 HG3 LYS 95 HG3 LYS 95 4.484 2.663 5.028 545 HD2 LYS 95 HD2 LYS 95 5.248 4.987 5.396 546 HD3 LYS 95 HD3 LYS 95 3.884 5.271 6.505 547 HE2 LYS 95 HE2 LYS 95 4.736 3.420 7.966 548 HE3 LYS 95 HE3 LYS 95 6.168 3.304 6.930 549 HZ1 LYS 95 HZ1 LYS 95 5.357 5.700 8.488 550 HZ2 LYS 95 HZ2 LYS 95 6.747 5.567 7.570 551 HZ3 LYS 95 HZ3 LYS 95 6.538 4.648 8.899 552 H THR 96 H THR 96 3.359 1.222 2.832 553 HA THR 96 HA THR 96 0.535 0.802 2.003 554 HB THR 96 HB THR 96 2.820 -0.724 0.685 555 HG1 THR 96 HG1 THR 96 2.131 1.578 0.212 556 HG21 THR 96 HG21 THR 96 1.114 -1.577 -0.833 557 HG22 THR 96 HG22 THR 96 -0.158 -0.684 0.019 558 HG23 THR 96 HG23 THR 96 0.668 -2.037 0.802 559 H TYR 97 H TYR 97 -0.319 -1.119 2.792 560 HA TYR 97 HA TYR 97 1.392 -2.892 4.501 561 HB2 TYR 97 HB2 TYR 97 -1.310 -1.698 5.196 562 HB3 TYR 97 HB3 TYR 97 -0.547 -2.990 6.082 563 HD1 TYR 97 HD1 TYR 97 1.541 -2.579 7.365 564 HD2 TYR 97 HD2 TYR 97 -0.652 0.626 5.505 565 HE1 TYR 97 HE1 TYR 97 2.646 -0.963 8.872 566 HE2 TYR 97 HE2 TYR 97 0.468 2.251 7.041 567 HH TYR 97 HH TYR 97 2.648 1.169 9.648 568 H PHE 98 H PHE 98 0.761 -5.046 4.600 569 HA PHE 98 HA PHE 98 -1.268 -6.038 2.629 570 HB2 PHE 98 HB2 PHE 98 1.631 -6.839 3.072 571 HB3 PHE 98 HB3 PHE 98 0.513 -7.718 2.062 572 HD1 PHE 98 HD1 PHE 98 2.334 -4.438 2.355 573 HD2 PHE 98 HD2 PHE 98 0.163 -7.161 -0.162 574 HE1 PHE 98 HE1 PHE 98 3.002 -3.128 0.343 575 HE2 PHE 98 HE2 PHE 98 0.849 -5.853 -2.172 576 HZ PHE 98 HZ PHE 98 2.300 -3.873 -1.915 577 H PHE 99 H PHE 99 -2.236 -7.994 3.061 578 HA PHE 99 HA PHE 99 -1.933 -9.108 5.828 579 HB2 PHE 99 HB2 PHE 99 -4.526 -8.649 4.309 580 HB3 PHE 99 HB3 PHE 99 -4.338 -9.069 6.004 581 HD1 PHE 99 HD1 PHE 99 -4.135 -6.379 3.487 582 HD2 PHE 99 HD2 PHE 99 -3.782 -7.316 7.663 583 HE1 PHE 99 HE1 PHE 99 -3.919 -3.988 3.987 584 HE2 PHE 99 HE2 PHE 99 -3.599 -4.903 8.174 585 HZ PHE 99 HZ PHE 99 -3.566 -3.235 6.353 586 H LYS 100 H LYS 100 -2.278 -11.339 6.107 587 HA LYS 100 HA LYS 100 -2.343 -12.965 3.628 588 HB2 LYS 100 HB2 LYS 100 -1.906 -13.871 6.487 589 HB3 LYS 100 HB3 LYS 100 -1.881 -14.879 5.033 590 HG2 LYS 100 HG2 LYS 100 0.276 -14.653 5.170 591 HG3 LYS 100 HG3 LYS 100 -0.028 -13.214 4.201 592 HD2 LYS 100 HD2 LYS 100 0.392 -11.761 6.002 593 HD3 LYS 100 HD3 LYS 100 0.138 -13.009 7.225 594 HE2 LYS 100 HE2 LYS 100 2.417 -13.164 5.207 595 HE3 LYS 100 HE3 LYS 100 2.587 -12.306 6.744 596 HZ1 LYS 100 HZ1 LYS 100 3.382 -14.586 6.892 597 HZ2 LYS 100 HZ2 LYS 100 1.913 -15.183 6.514 598 HZ3 LYS 100 HZ3 LYS 100 2.114 -14.351 7.923 599 H LYS 101 H LYS 101 -3.572 -14.847 3.398 600 HA LYS 101 HA LYS 101 -6.361 -14.578 3.358 601 HB2 LYS 101 HB2 LYS 101 -4.507 -16.954 3.124 602 HB3 LYS 101 HB3 LYS 101 -6.260 -17.123 2.960 603 HG2 LYS 101 HG2 LYS 101 -6.359 -15.673 1.067 604 HG3 LYS 101 HG3 LYS 101 -4.679 -15.151 1.261 605 HD2 LYS 101 HD2 LYS 101 -3.805 -17.267 0.640 606 HD3 LYS 101 HD3 LYS 101 -5.371 -18.072 0.773 607 HE2 LYS 101 HE2 LYS 101 -4.925 -15.825 -1.210 608 HE3 LYS 101 HE3 LYS 101 -4.415 -17.476 -1.583 609 HZ1 LYS 101 HZ1 LYS 101 -6.700 -18.217 -1.225 610 HZ2 LYS 101 HZ2 LYS 101 -7.210 -16.725 -0.870 611 HZ3 LYS 101 HZ3 LYS 101 -6.696 -17.041 -2.389 612 H GLY 102 H GLY 102 -7.284 -13.955 5.235 613 HA2 GLY 102 HA2 GLY 102 -8.839 -14.925 6.875 614 HA3 GLY 102 HA3 GLY 102 -7.572 -16.011 7.411 615 H GLU 103 H GLU 103 -5.948 -13.169 7.000 616 HA GLU 103 HA GLU 103 -6.169 -12.428 9.892 617 HB2 GLU 103 HB2 GLU 103 -3.941 -12.308 7.828 618 HB3 GLU 103 HB3 GLU 103 -3.887 -11.395 9.325 619 HG2 GLU 103 HG2 GLU 103 -2.647 -13.415 9.641 620 HG3 GLU 103 HG3 GLU 103 -4.079 -13.444 10.658 621 H SER 104 H SER 104 -5.787 -10.141 10.430 622 HA SER 104 HA SER 104 -6.823 -8.139 8.464 623 HB2 SER 104 HB2 SER 104 -8.412 -7.353 10.236 624 HB3 SER 104 HB3 SER 104 -8.872 -8.797 9.446 625 HG SER 104 HG SER 104 -8.283 -10.033 11.166 626 H LYS 105 H LYS 105 -4.305 -8.725 10.301 627 HA LYS 105 HA LYS 105 -3.744 -5.805 10.451 628 HB2 LYS 105 HB2 LYS 105 -4.159 -6.587 12.737 629 HB3 LYS 105 HB3 LYS 105 -2.954 -7.875 12.532 630 HG2 LYS 105 HG2 LYS 105 -1.165 -6.321 12.503 631 HG3 LYS 105 HG3 LYS 105 -2.217 -4.934 12.296 632 HD2 LYS 105 HD2 LYS 105 -1.455 -5.031 14.618 633 HD3 LYS 105 HD3 LYS 105 -3.195 -5.316 14.549 634 HE2 LYS 105 HE2 LYS 105 -2.866 -7.710 14.703 635 HE3 LYS 105 HE3 LYS 105 -1.099 -7.487 14.719 636 HZ1 LYS 105 HZ1 LYS 105 -2.124 -7.792 16.955 637 HZ2 LYS 105 HZ2 LYS 105 -2.950 -6.387 16.772 638 HZ3 LYS 105 HZ3 LYS 105 -1.287 -6.379 16.822 639 H SER 106 H SER 106 -1.678 -5.289 9.700 640 HA SER 106 HA SER 106 -0.931 -7.074 7.607 641 HB2 SER 106 HB2 SER 106 0.698 -5.514 6.895 642 HB3 SER 106 HB3 SER 106 -0.661 -4.591 7.543 643 HG SER 106 HG SER 106 1.920 -5.037 8.771 644 H SER 107 H SER 107 1.081 -7.943 7.078 645 HA SER 107 HA SER 107 3.069 -8.307 9.282 646 HB2 SER 107 HB2 SER 107 1.669 -10.374 8.974 647 HB3 SER 107 HB3 SER 107 2.222 -10.448 7.295 648 HG SER 107 HG SER 107 3.847 -10.532 9.632 649 H TYR 108 H TYR 108 2.445 -7.213 6.165 650 HA TYR 108 HA TYR 108 5.316 -6.865 5.645 651 HB2 TYR 108 HB2 TYR 108 4.788 -8.829 4.351 652 HB3 TYR 108 HB3 TYR 108 3.359 -8.082 3.680 653 HD1 TYR 108 HD1 TYR 108 7.071 -7.564 3.871 654 HD2 TYR 108 HD2 TYR 108 3.513 -7.235 1.493 655 HE1 TYR 108 HE1 TYR 108 8.465 -6.925 1.877 656 HE2 TYR 108 HE2 TYR 108 4.879 -6.607 -0.475 657 HH TYR 108 HH TYR 108 7.045 -6.450 -1.350 658 H VAL 109 H VAL 109 5.784 -4.944 4.898 659 HA VAL 109 HA VAL 109 3.762 -3.011 3.978 660 HB VAL 109 HB VAL 109 3.419 -2.631 6.103 661 HG11 VAL 109 HG11 VAL 109 4.594 -4.171 7.295 662 HG12 VAL 109 HG12 VAL 109 5.146 -2.654 7.998 663 HG13 VAL 109 HG13 VAL 109 6.149 -3.501 6.789 664 HG21 VAL 109 HG21 VAL 109 4.475 -0.740 7.176 665 HG22 VAL 109 HG22 VAL 109 4.088 -0.418 5.495 666 HG23 VAL 109 HG23 VAL 109 5.755 -0.777 5.974 667 H ILE 110 H ILE 110 4.631 -1.026 3.237 668 HA ILE 110 HA ILE 110 7.506 -1.187 2.405 669 HB ILE 110 HB ILE 110 5.136 -0.815 0.584 670 HG12 ILE 110 HG12 ILE 110 6.617 -3.354 1.263 671 HG13 ILE 110 HG13 ILE 110 4.907 -3.071 1.217 672 HG21 ILE 110 HG21 ILE 110 8.054 -1.397 -0.148 673 HG22 ILE 110 HG22 ILE 110 7.319 0.225 -0.177 674 HG23 ILE 110 HG23 ILE 110 6.725 -1.019 -1.259 675 HD11 ILE 110 HD11 ILE 110 5.389 -4.432 -0.627 676 HD12 ILE 110 HD12 ILE 110 6.796 -3.475 -1.088 677 HD13 ILE 110 HD13 ILE 110 5.137 -2.826 -1.324 678 H ASN 111 H ASN 111 8.484 0.741 2.318 679 HA ASN 111 HA ASN 111 6.901 3.229 2.820 680 HB2 ASN 111 HB2 ASN 111 9.845 2.479 3.119 681 HB3 ASN 111 HB3 ASN 111 9.276 4.143 3.186 682 HD21 ASN 111 HD21 ASN 111 9.885 1.448 5.130 683 HD22 ASN 111 HD22 ASN 111 8.883 1.960 6.491 684 H GLY 112 H GLY 112 6.872 4.923 1.414 685 HA2 GLY 112 HA2 GLY 112 8.549 4.847 -1.054 686 HA3 GLY 112 HA3 GLY 112 6.791 4.849 -1.192 687 HA PRO 113 HA PRO 113 8.492 9.187 -1.180 688 HB2 PRO 113 HB2 PRO 113 7.209 10.102 -3.405 689 HB3 PRO 113 HB3 PRO 113 8.727 9.159 -3.484 690 HG2 PRO 113 HG2 PRO 113 5.889 8.154 -3.825 691 HG3 PRO 113 HG3 PRO 113 7.318 7.807 -4.852 692 HD2 PRO 113 HD2 PRO 113 6.455 6.104 -2.919 693 HD3 PRO 113 HD3 PRO 113 8.187 6.292 -3.318 694 H GLY 114 H GLY 114 7.442 10.830 -0.240 695 HA2 GLY 114 HA2 GLY 114 5.170 12.129 -0.546 696 HA3 GLY 114 HA3 GLY 114 4.515 10.742 0.325 697 H LYS 115 H LYS 115 7.114 10.599 1.877 698 HA LYS 115 HA LYS 115 7.905 11.063 3.918 699 HB2 LYS 115 HB2 LYS 115 8.721 12.912 2.506 700 HB3 LYS 115 HB3 LYS 115 7.399 13.930 3.085 701 HG2 LYS 115 HG2 LYS 115 8.317 13.952 5.326 702 HG3 LYS 115 HG3 LYS 115 9.478 12.673 4.926 703 HD2 LYS 115 HD2 LYS 115 10.536 14.903 5.012 704 HD3 LYS 115 HD3 LYS 115 10.681 14.160 3.411 705 HE2 LYS 115 HE2 LYS 115 8.813 15.537 2.566 706 HE3 LYS 115 HE3 LYS 115 8.574 16.226 4.182 707 HZ1 LYS 115 HZ1 LYS 115 10.984 16.562 2.486 708 HZ2 LYS 115 HZ2 LYS 115 10.832 17.144 4.021 709 HZ3 LYS 115 HZ3 LYS 115 9.849 17.708 2.811 710 H THR 116 H THR 116 4.615 12.110 3.547 711 HA THR 116 HA THR 116 3.952 11.476 6.281 712 HB THR 116 HB THR 116 4.937 13.661 6.744 713 HG1 THR 116 HG1 THR 116 3.365 14.217 7.941 714 HG21 THR 116 HG21 THR 116 2.959 14.869 4.760 715 HG22 THR 116 HG22 THR 116 4.715 14.764 4.517 716 HG23 THR 116 HG23 THR 116 4.068 15.738 5.842 717 H ASN 117 H ASN 117 1.600 11.603 6.625 718 HA ASN 117 HA ASN 117 -0.013 11.642 4.160 719 HB2 ASN 117 HB2 ASN 117 -0.779 11.260 7.088 720 HB3 ASN 117 HB3 ASN 117 -1.826 11.034 5.696 721 HD21 ASN 117 HD21 ASN 117 -0.417 9.523 3.922 722 HD22 ASN 117 HD22 ASN 117 0.133 8.041 4.704 723 H GLU 118 H GLU 118 1.023 13.911 6.578 724 HA GLU 118 HA GLU 118 -1.307 15.556 6.720 725 HB2 GLU 118 HB2 GLU 118 1.555 16.191 7.524 726 HB3 GLU 118 HB3 GLU 118 0.112 17.121 7.939 727 HG2 GLU 118 HG2 GLU 118 -0.803 15.012 9.052 728 HG3 GLU 118 HG3 GLU 118 0.801 14.316 8.871 729 H TYR 119 H TYR 119 -1.541 15.659 4.293 730 HA TYR 119 HA TYR 119 -1.867 17.002 2.528 731 HB2 TYR 119 HB2 TYR 119 -1.954 18.963 4.835 732 HB3 TYR 119 HB3 TYR 119 -2.653 19.276 3.260 733 HD1 TYR 119 HD1 TYR 119 -4.315 17.459 2.305 734 HD2 TYR 119 HD2 TYR 119 -3.406 18.046 6.488 735 HE1 TYR 119 HE1 TYR 119 -6.425 16.283 2.939 736 HE2 TYR 119 HE2 TYR 119 -5.545 16.943 7.106 737 HH TYR 119 HH TYR 119 -7.500 15.945 6.336 738 H ALA 120 H ALA 120 0.878 16.652 2.696 739 HA ALA 120 HA ALA 120 2.890 17.426 1.885 740 HB1 ALA 120 HB1 ALA 120 1.575 16.518 0.015 741 HB2 ALA 120 HB2 ALA 120 2.673 17.790 -0.536 742 HB3 ALA 120 HB3 ALA 120 0.941 18.141 -0.339 743 H TYR 121 H TYR 121 2.182 19.363 3.648 744 HA TYR 121 HA TYR 121 3.319 21.898 2.613 745 HB2 TYR 121 HB2 TYR 121 0.937 22.153 2.272 746 HB3 TYR 121 HB3 TYR 121 0.572 21.503 3.860 747 HD1 TYR 121 HD1 TYR 121 0.807 22.842 5.891 748 HD2 TYR 121 HD2 TYR 121 1.645 24.497 1.995 749 HE1 TYR 121 HE1 TYR 121 0.583 25.132 6.823 750 HE2 TYR 121 HE2 TYR 121 1.400 26.801 2.933 751 HH TYR 121 HH TYR 121 0.599 27.359 6.384 752 H1 ACE 6 H1 ACE 6 22.495 2.059 -2.624 753 H2 ACE 6 H2 ACE 6 21.782 0.471 -2.271 754 H3 ACE 6 H3 ACE 6 20.787 1.941 -2.143 755 H THR 7 H THR 7 22.711 0.052 -4.471 756 HA THR 7 HA THR 7 21.458 1.286 -6.752 757 HB THR 7 HB THR 7 23.819 0.519 -6.611 758 HG1 THR 7 HG1 THR 7 23.957 0.308 -8.651 759 HG21 THR 7 HG21 THR 7 22.692 -2.248 -7.193 760 HG22 THR 7 HG22 THR 7 24.402 -1.763 -7.223 761 HG23 THR 7 HG23 THR 7 23.506 -1.745 -5.700 762 H THR 8 H THR 8 19.700 -0.291 -4.897 763 HA THR 8 HA THR 8 18.029 -1.456 -7.057 764 HB THR 8 HB THR 8 18.352 -2.848 -4.379 765 HG1 THR 8 HG1 THR 8 20.173 -3.299 -5.417 766 HG21 THR 8 HG21 THR 8 17.160 -4.700 -5.494 767 HG22 THR 8 HG22 THR 8 16.155 -3.254 -5.422 768 HG23 THR 8 HG23 THR 8 16.955 -3.701 -6.949 769 HA PRO 9 HA PRO 9 15.046 1.167 -4.844 770 HB2 PRO 9 HB2 PRO 9 12.976 -0.704 -5.918 771 HB3 PRO 9 HB3 PRO 9 13.053 1.077 -6.022 772 HG2 PRO 9 HG2 PRO 9 13.613 -0.484 -8.178 773 HG3 PRO 9 HG3 PRO 9 14.548 1.009 -7.840 774 HD2 PRO 9 HD2 PRO 9 15.302 -1.855 -7.243 775 HD3 PRO 9 HD3 PRO 9 16.305 -0.540 -7.921 776 H ASP 10 H ASP 10 13.440 0.953 -3.099 777 HA ASP 10 HA ASP 10 13.905 -1.169 -1.182 778 HB2 ASP 10 HB2 ASP 10 13.090 1.270 -0.837 779 HB3 ASP 10 HB3 ASP 10 11.495 0.682 -1.306 780 HN2 TYS 11 HN2 TYS 11 12.782 -3.103 -0.928 781 HA TYS 11 HA TYS 11 10.306 -3.575 -2.401 782 HB2 TYS 11 HB2 TYS 11 12.780 -5.268 -2.895 783 HB3 TYS 11 HB3 TYS 11 11.155 -5.949 -2.965 784 HD1 TYS 11 HD1 TYS 11 9.344 -4.629 -4.115 785 HD2 TYS 11 HD2 TYS 11 13.510 -4.159 -4.987 786 HE1 TYS 11 HE1 TYS 11 8.735 -3.324 -5.995 787 HE2 TYS 11 HE2 TYS 11 12.901 -2.958 -7.056 788 H GLY 12 H GLY 12 10.148 -2.806 -0.451 789 HA2 GLY 12 HA2 GLY 12 8.752 -2.937 1.294 790 HA3 GLY 12 HA3 GLY 12 8.403 -4.584 0.784 791 H HIS 13 H HIS 13 8.184 -4.252 3.484 792 HA HIS 13 HA HIS 13 10.360 -6.023 4.349 793 HB2 HIS 13 HB2 HIS 13 10.652 -4.891 6.466 794 HB3 HIS 13 HB3 HIS 13 11.265 -3.910 5.132 795 HD1 HIS 13 HD1 HIS 13 9.635 -1.787 4.368 796 HD2 HIS 13 HD2 HIS 13 8.496 -3.852 7.867 797 HE1 HIS 13 HE1 HIS 13 7.773 -0.437 5.463 798 HE2 HIS 13 HE2 HIS 13 7.383 -1.464 7.813 799 HN2 TYS 14 HN2 TYS 14 9.804 -7.453 5.869 800 HA TYS 14 HA TYS 14 6.959 -7.540 6.653 801 HB2 TYS 14 HB2 TYS 14 9.262 -9.473 6.947 802 HB3 TYS 14 HB3 TYS 14 7.779 -9.671 7.845 803 HD1 TYS 14 HD1 TYS 14 8.958 -9.348 4.177 804 HD2 TYS 14 HD2 TYS 14 5.908 -10.757 6.951 805 HE1 TYS 14 HE1 TYS 14 8.012 -10.694 2.480 806 HE2 TYS 14 HE2 TYS 14 4.974 -12.113 5.147 807 H ASP 15 H ASP 15 6.097 -7.199 8.519 808 HA ASP 15 HA ASP 15 7.816 -5.905 10.606 809 HB2 ASP 15 HB2 ASP 15 6.498 -4.131 10.681 810 HB3 ASP 15 HB3 ASP 15 6.158 -4.537 9.030 811 H ASP 16 H ASP 16 7.149 -6.003 12.759 812 HA ASP 16 HA ASP 16 4.676 -7.469 13.481 813 HB2 ASP 16 HB2 ASP 16 7.413 -8.013 14.677 814 HB3 ASP 16 HB3 ASP 16 5.895 -8.586 15.368 815 H LYS 17 H LYS 17 5.171 -4.693 13.322 816 HA LYS 17 HA LYS 17 4.814 -3.633 16.033 817 HB2 LYS 17 HB2 LYS 17 6.895 -2.380 16.225 818 HB3 LYS 17 HB3 LYS 17 7.254 -4.098 16.095 819 HG2 LYS 17 HG2 LYS 17 7.753 -3.751 13.635 820 HG3 LYS 17 HG3 LYS 17 7.511 -2.013 13.875 821 HD2 LYS 17 HD2 LYS 17 9.363 -1.933 15.477 822 HD3 LYS 17 HD3 LYS 17 9.608 -3.691 15.291 823 HE2 LYS 17 HE2 LYS 17 9.996 -3.363 12.852 824 HE3 LYS 17 HE3 LYS 17 9.780 -1.617 13.049 825 HZ1 LYS 17 HZ1 LYS 17 12.112 -2.274 13.025 826 HZ2 LYS 17 HZ2 LYS 17 11.735 -1.560 14.437 827 HZ3 LYS 17 HZ3 LYS 17 11.911 -3.209 14.373 828 H ASP 18 H ASP 18 5.208 -3.129 12.649 829 HA ASP 18 HA ASP 18 5.004 -0.188 12.708 830 HB2 ASP 18 HB2 ASP 18 6.659 -1.805 11.439 831 HB3 ASP 18 HB3 ASP 18 5.305 -2.093 10.353 832 H THR 19 H THR 19 3.127 -2.928 12.167 833 HA THR 19 HA THR 19 1.590 -2.683 10.082 834 HB THR 19 HB THR 19 1.682 -4.654 11.453 835 HG1 THR 19 HG1 THR 19 0.161 -4.590 10.147 836 HG21 THR 19 HG21 THR 19 -0.073 -3.361 13.519 837 HG22 THR 19 HG22 THR 19 1.677 -3.663 13.709 838 HG23 THR 19 HG23 THR 19 0.600 -5.024 13.477 839 H LEU 20 H LEU 20 -0.545 -2.434 9.505 840 HA LEU 20 HA LEU 20 -2.171 -0.410 10.927 841 HB2 LEU 20 HB2 LEU 20 -1.650 0.179 8.541 842 HB3 LEU 20 HB3 LEU 20 -2.275 -1.410 8.048 843 HG LEU 20 HG LEU 20 -4.498 -0.747 9.016 844 HD11 LEU 20 HD11 LEU 20 -4.895 1.715 9.266 845 HD12 LEU 20 HD12 LEU 20 -3.143 1.986 9.209 846 HD13 LEU 20 HD13 LEU 20 -3.866 1.062 10.548 847 HD21 LEU 20 HD21 LEU 20 -3.886 -0.656 6.684 848 HD22 LEU 20 HD22 LEU 20 -3.344 1.029 6.830 849 HD23 LEU 20 HD23 LEU 20 -5.062 0.595 7.069 850 H ASP 21 H ASP 21 -3.864 -1.233 11.889 851 HA ASP 21 HA ASP 21 -4.613 -4.067 11.652 852 HB2 ASP 21 HB2 ASP 21 -5.402 -3.723 13.946 853 HB3 ASP 21 HB3 ASP 21 -3.691 -3.374 13.729 854 H LEU 22 H LEU 22 -6.078 -4.214 10.116 855 HA LEU 22 HA LEU 22 -8.366 -2.406 9.745 856 HB2 LEU 22 HB2 LEU 22 -7.266 -4.917 8.462 857 HB3 LEU 22 HB3 LEU 22 -8.963 -4.501 8.205 858 HG LEU 22 HG LEU 22 -8.312 -2.400 7.144 859 HD11 LEU 22 HD11 LEU 22 -6.324 -1.768 8.322 860 HD12 LEU 22 HD12 LEU 22 -5.876 -2.045 6.628 861 HD13 LEU 22 HD13 LEU 22 -5.493 -3.273 7.863 862 HD21 LEU 22 HD21 LEU 22 -7.150 -3.367 5.195 863 HD22 LEU 22 HD22 LEU 22 -8.360 -4.505 5.838 864 HD23 LEU 22 HD23 LEU 22 -6.629 -4.758 6.182 865 H ASN 23 H ASN 23 -7.696 -5.454 11.295 866 HA ASN 23 HA ASN 23 -9.244 -7.086 12.168 867 HB2 ASN 23 HB2 ASN 23 -8.786 -4.808 13.983 868 HB3 ASN 23 HB3 ASN 23 -9.374 -6.385 14.542 869 HD21 ASN 23 HD21 ASN 23 -7.490 -7.953 12.739 870 HD22 ASN 23 HD22 ASN 23 -6.005 -7.812 13.658 871 H THR 24 H THR 24 -11.051 -7.385 11.186 872 HA THR 24 HA THR 24 -13.489 -5.888 11.927 873 HB THR 24 HB THR 24 -12.368 -4.720 10.167 874 HG1 THR 24 HG1 THR 24 -14.491 -4.646 9.943 875 HG21 THR 24 HG21 THR 24 -10.966 -6.424 9.188 876 HG22 THR 24 HG22 THR 24 -11.962 -5.689 7.945 877 HG23 THR 24 HG23 THR 24 -12.396 -7.298 8.569 878 HA PRO 25 HA PRO 25 -14.683 -10.130 9.940 879 HB2 PRO 25 HB2 PRO 25 -13.877 -12.301 11.381 880 HB3 PRO 25 HB3 PRO 25 -12.922 -11.616 10.032 881 HG2 PRO 25 HG2 PRO 25 -12.575 -11.121 12.998 882 HG3 PRO 25 HG3 PRO 25 -11.316 -11.523 11.786 883 HD2 PRO 25 HD2 PRO 25 -11.816 -8.989 12.594 884 HD3 PRO 25 HD3 PRO 25 -11.339 -9.336 10.901 885 H VAL 26 H VAL 26 -16.584 -11.164 10.581 886 HA VAL 26 HA VAL 26 -17.569 -10.883 13.347 887 HB VAL 26 HB VAL 26 -17.775 -8.634 12.134 888 HG11 VAL 26 HG11 VAL 26 -18.558 -9.392 9.936 889 HG12 VAL 26 HG12 VAL 26 -19.726 -8.299 10.688 890 HG13 VAL 26 HG13 VAL 26 -20.053 -10.033 10.660 891 HG21 VAL 26 HG21 VAL 26 -20.401 -9.738 13.140 892 HG22 VAL 26 HG22 VAL 26 -19.840 -8.065 13.134 893 HG23 VAL 26 HG23 VAL 26 -19.040 -9.247 14.183 894 H ASP 27 H ASP 27 -19.780 -11.815 13.619 895 HA ASP 27 HA ASP 27 -20.372 -13.940 11.569 896 HB2 ASP 27 HB2 ASP 27 -20.755 -13.869 14.587 897 HB3 ASP 27 HB3 ASP 27 -21.487 -15.076 13.533 898 H LYS 28 H LYS 28 -21.772 -11.309 13.490 899 HA LYS 28 HA LYS 28 -23.827 -10.983 11.414 900 HB2 LYS 28 HB2 LYS 28 -24.888 -12.522 13.087 901 HB3 LYS 28 HB3 LYS 28 -24.666 -11.287 14.325 902 HG2 LYS 28 HG2 LYS 28 -26.108 -9.736 12.979 903 HG3 LYS 28 HG3 LYS 28 -26.339 -11.019 11.781 904 HD2 LYS 28 HD2 LYS 28 -27.355 -12.476 13.502 905 HD3 LYS 28 HD3 LYS 28 -27.086 -11.244 14.735 906 HE2 LYS 28 HE2 LYS 28 -28.965 -11.015 12.336 907 HE3 LYS 28 HE3 LYS 28 -29.421 -11.299 14.021 908 HZ1 LYS 28 HZ1 LYS 28 -29.692 -9.005 13.747 909 HZ2 LYS 28 HZ2 LYS 28 -28.216 -9.099 14.465 910 HZ3 LYS 28 HZ3 LYS 28 -28.347 -8.820 12.851 911 HN1 NH2 29 HN1 NH2 29 -23.115 -8.987 10.798 912 HN2 NH2 29 HN2 NH2 29 -22.826 -7.664 11.907 Start of MODEL 5 1 H1 ASN 31 H1 ASN 31 -3.635 16.425 -23.214 2 H2 ASN 31 H2 ASN 31 -4.841 17.506 -23.442 3 H3 ASN 31 H3 ASN 31 -3.330 17.876 -23.939 4 HA ASN 31 HA ASN 31 -2.522 17.906 -21.673 5 HB2 ASN 31 HB2 ASN 31 -4.851 19.686 -22.435 6 HB3 ASN 31 HB3 ASN 31 -4.143 19.799 -20.833 7 HD21 ASN 31 HD21 ASN 31 -3.453 22.027 -21.395 8 HD22 ASN 31 HD22 ASN 31 -1.980 22.207 -22.339 9 H SER 32 H SER 32 -2.600 16.648 -19.995 10 HA SER 32 HA SER 32 -5.003 16.480 -18.367 11 HB2 SER 32 HB2 SER 32 -5.455 14.635 -19.931 12 HB3 SER 32 HB3 SER 32 -3.911 13.879 -19.508 13 HG SER 32 HG SER 32 -5.686 13.042 -18.349 14 H GLY 33 H GLY 33 -2.071 14.319 -18.545 15 HA2 GLY 33 HA2 GLY 33 -0.249 15.535 -17.000 16 HA3 GLY 33 HA3 GLY 33 -1.403 15.059 -15.758 17 H LEU 34 H LEU 34 0.901 14.131 -15.267 18 HA LEU 34 HA LEU 34 1.420 11.415 -16.286 19 HB2 LEU 34 HB2 LEU 34 2.562 12.963 -13.919 20 HB3 LEU 34 HB3 LEU 34 3.196 11.458 -14.562 21 HG LEU 34 HG LEU 34 3.198 14.146 -15.988 22 HD11 LEU 34 HD11 LEU 34 4.820 13.924 -14.128 23 HD12 LEU 34 HD12 LEU 34 5.622 14.008 -15.703 24 HD13 LEU 34 HD13 LEU 34 5.468 12.445 -14.877 25 HD21 LEU 34 HD21 LEU 34 4.620 13.010 -17.682 26 HD22 LEU 34 HD22 LEU 34 2.978 12.361 -17.666 27 HD23 LEU 34 HD23 LEU 34 4.299 11.451 -16.896 28 HA PRO 35 HA PRO 35 -1.332 9.322 -13.711 29 HB2 PRO 35 HB2 PRO 35 0.080 7.073 -12.778 30 HB3 PRO 35 HB3 PRO 35 -0.730 7.219 -14.347 31 HG2 PRO 35 HG2 PRO 35 2.166 7.599 -13.638 32 HG3 PRO 35 HG3 PRO 35 1.479 6.900 -15.135 33 HD2 PRO 35 HD2 PRO 35 2.496 9.437 -15.015 34 HD3 PRO 35 HD3 PRO 35 1.101 9.056 -16.057 35 H THR 36 H THR 36 -2.153 9.238 -11.778 36 HA THR 36 HA THR 36 -0.574 8.573 -9.427 37 HB THR 36 HB THR 36 -0.492 10.982 -9.276 38 HG1 THR 36 HG1 THR 36 -1.692 11.060 -7.207 39 HG21 THR 36 HG21 THR 36 -2.668 11.543 -10.438 40 HG22 THR 36 HG22 THR 36 -3.499 11.122 -8.925 41 HG23 THR 36 HG23 THR 36 -2.314 12.442 -8.963 42 H THR 37 H THR 37 -1.779 6.741 -10.551 43 HA THR 37 HA THR 37 -4.603 6.536 -9.577 44 HB THR 37 HB THR 37 -5.239 5.414 -11.618 45 HG1 THR 37 HG1 THR 37 -3.737 5.378 -13.379 46 HG21 THR 37 HG21 THR 37 -5.315 7.926 -11.628 47 HG22 THR 37 HG22 THR 37 -5.169 7.197 -13.232 48 HG23 THR 37 HG23 THR 37 -3.747 7.930 -12.464 49 H LEU 38 H LEU 38 -5.421 4.428 -9.170 50 HA LEU 38 HA LEU 38 -3.458 2.462 -8.316 51 HB2 LEU 38 HB2 LEU 38 -6.458 2.262 -8.665 52 HB3 LEU 38 HB3 LEU 38 -5.456 0.910 -8.182 53 HG LEU 38 HG LEU 38 -5.864 3.509 -6.653 54 HD11 LEU 38 HD11 LEU 38 -6.980 2.065 -5.021 55 HD12 LEU 38 HD12 LEU 38 -6.614 0.624 -5.999 56 HD13 LEU 38 HD13 LEU 38 -7.741 1.850 -6.602 57 HD21 LEU 38 HD21 LEU 38 -3.582 2.769 -6.186 58 HD22 LEU 38 HD22 LEU 38 -4.139 1.097 -5.931 59 HD23 LEU 38 HD23 LEU 38 -4.610 2.393 -4.810 60 H GLY 39 H GLY 39 -5.249 2.896 -11.398 61 HA2 GLY 39 HA2 GLY 39 -4.624 0.703 -12.846 62 HA3 GLY 39 HA3 GLY 39 -4.434 2.337 -13.500 63 H LYS 40 H LYS 40 -2.109 3.152 -12.001 64 HA LYS 40 HA LYS 40 0.010 1.274 -12.951 65 HB2 LYS 40 HB2 LYS 40 0.056 4.123 -11.898 66 HB3 LYS 40 HB3 LYS 40 1.501 3.205 -12.318 67 HG2 LYS 40 HG2 LYS 40 -0.752 3.896 -14.281 68 HG3 LYS 40 HG3 LYS 40 0.735 4.777 -14.063 69 HD2 LYS 40 HD2 LYS 40 1.425 3.497 -15.814 70 HD3 LYS 40 HD3 LYS 40 1.850 2.367 -14.529 71 HE2 LYS 40 HE2 LYS 40 -0.467 1.297 -14.879 72 HE3 LYS 40 HE3 LYS 40 -0.672 2.379 -16.253 73 HZ1 LYS 40 HZ1 LYS 40 1.463 1.356 -17.119 74 HZ2 LYS 40 HZ2 LYS 40 0.136 0.390 -17.134 75 HZ3 LYS 40 HZ3 LYS 40 1.261 0.174 -15.957 76 H LEU 41 H LEU 41 -0.997 2.898 -9.895 77 HA LEU 41 HA LEU 41 1.139 1.730 -8.448 78 HB2 LEU 41 HB2 LEU 41 0.008 3.749 -7.713 79 HB3 LEU 41 HB3 LEU 41 -1.479 2.849 -7.410 80 HG LEU 41 HG LEU 41 -0.363 1.545 -5.637 81 HD11 LEU 41 HD11 LEU 41 1.824 2.184 -4.783 82 HD12 LEU 41 HD12 LEU 41 2.038 3.369 -6.094 83 HD13 LEU 41 HD13 LEU 41 2.002 1.624 -6.438 84 HD21 LEU 41 HD21 LEU 41 -0.068 3.317 -3.992 85 HD22 LEU 41 HD22 LEU 41 -1.494 3.610 -5.019 86 HD23 LEU 41 HD23 LEU 41 0.009 4.529 -5.293 87 H ASP 42 H ASP 42 -2.203 0.414 -8.712 88 HA ASP 42 HA ASP 42 -1.819 -1.764 -6.802 89 HB2 ASP 42 HB2 ASP 42 -4.018 -0.765 -7.545 90 HB3 ASP 42 HB3 ASP 42 -3.728 -1.356 -9.156 91 H GLU 43 H GLU 43 -1.271 -1.394 -10.253 92 HA GLU 43 HA GLU 43 -0.380 -4.092 -10.805 93 HB2 GLU 43 HB2 GLU 43 -1.102 -2.584 -12.542 94 HB3 GLU 43 HB3 GLU 43 0.098 -1.387 -12.104 95 HG2 GLU 43 HG2 GLU 43 1.912 -2.938 -12.820 96 HG3 GLU 43 HG3 GLU 43 0.674 -4.106 -13.320 97 H ARG 44 H ARG 44 1.349 -1.083 -9.826 98 HA ARG 44 HA ARG 44 3.952 -2.282 -9.794 99 HB2 ARG 44 HB2 ARG 44 3.195 0.201 -9.950 100 HB3 ARG 44 HB3 ARG 44 3.157 0.185 -8.189 101 HG2 ARG 44 HG2 ARG 44 5.539 -0.195 -8.084 102 HG3 ARG 44 HG3 ARG 44 5.581 -0.736 -9.764 103 HD2 ARG 44 HD2 ARG 44 6.528 1.399 -9.819 104 HD3 ARG 44 HD3 ARG 44 4.933 1.566 -10.522 105 HE ARG 44 HE ARG 44 4.327 3.024 -8.795 106 HH11 ARG 44 HH11 ARG 44 7.417 1.565 -7.926 107 HH12 ARG 44 HH12 ARG 44 7.625 2.683 -6.605 108 HH21 ARG 44 HH21 ARG 44 4.745 4.405 -7.145 109 HH22 ARG 44 HH22 ARG 44 6.211 4.172 -6.163 110 H LEU 45 H LEU 45 1.581 -1.849 -7.165 111 HA LEU 45 HA LEU 45 3.313 -2.926 -5.093 112 HB2 LEU 45 HB2 LEU 45 0.312 -2.546 -5.299 113 HB3 LEU 45 HB3 LEU 45 1.137 -3.090 -3.837 114 HG LEU 45 HG LEU 45 1.724 -0.426 -5.196 115 HD11 LEU 45 HD11 LEU 45 0.407 0.547 -3.337 116 HD12 LEU 45 HD12 LEU 45 -0.054 -1.090 -2.826 117 HD13 LEU 45 HD13 LEU 45 -0.576 -0.478 -4.404 118 HD21 LEU 45 HD21 LEU 45 2.737 0.169 -3.033 119 HD22 LEU 45 HD22 LEU 45 3.591 -1.160 -3.811 120 HD23 LEU 45 HD23 LEU 45 2.489 -1.483 -2.453 121 H ARG 46 H ARG 46 1.042 -4.479 -7.363 122 HA ARG 46 HA ARG 46 1.280 -7.161 -6.240 123 HB2 ARG 46 HB2 ARG 46 0.689 -6.107 -9.026 124 HB3 ARG 46 HB3 ARG 46 0.785 -7.838 -8.674 125 HG2 ARG 46 HG2 ARG 46 -1.073 -7.732 -7.159 126 HG3 ARG 46 HG3 ARG 46 -1.079 -5.963 -7.188 127 HD2 ARG 46 HD2 ARG 46 -1.459 -6.222 -9.758 128 HD3 ARG 46 HD3 ARG 46 -1.910 -7.890 -9.389 129 HE ARG 46 HE ARG 46 -3.181 -5.387 -8.301 130 HH11 ARG 46 HH11 ARG 46 -3.691 -8.891 -8.742 131 HH12 ARG 46 HH12 ARG 46 -5.397 -8.659 -8.375 132 HH21 ARG 46 HH21 ARG 46 -5.158 -5.315 -7.884 133 HH22 ARG 46 HH22 ARG 46 -6.225 -6.751 -7.943 134 H ASN 47 H ASN 47 3.299 -5.168 -8.360 135 HA ASN 47 HA ASN 47 5.244 -7.321 -8.834 136 HB2 ASN 47 HB2 ASN 47 5.687 -4.314 -9.054 137 HB3 ASN 47 HB3 ASN 47 6.771 -5.565 -9.560 138 HD21 ASN 47 HD21 ASN 47 5.752 -3.503 -11.235 139 HD22 ASN 47 HD22 ASN 47 4.891 -4.365 -12.515 140 H TYR 48 H TYR 48 5.112 -4.612 -6.400 141 HA TYR 48 HA TYR 48 7.535 -5.160 -5.200 142 HB2 TYR 48 HB2 TYR 48 5.033 -3.936 -4.151 143 HB3 TYR 48 HB3 TYR 48 6.297 -4.304 -3.084 144 HD1 TYR 48 HD1 TYR 48 8.470 -3.214 -3.229 145 HD2 TYR 48 HD2 TYR 48 5.123 -1.848 -5.510 146 HE1 TYR 48 HE1 TYR 48 9.611 -0.986 -3.559 147 HE2 TYR 48 HE2 TYR 48 6.141 0.408 -5.669 148 HH TYR 48 HH TYR 48 9.282 1.126 -4.120 149 H LEU 49 H LEU 49 4.495 -6.874 -4.325 150 HA LEU 49 HA LEU 49 5.842 -8.391 -2.267 151 HB2 LEU 49 HB2 LEU 49 3.382 -9.019 -3.947 152 HB3 LEU 49 HB3 LEU 49 3.993 -10.119 -2.711 153 HG LEU 49 HG LEU 49 3.135 -7.286 -2.155 154 HD11 LEU 49 HD11 LEU 49 1.208 -8.610 -2.823 155 HD12 LEU 49 HD12 LEU 49 1.175 -8.531 -1.052 156 HD13 LEU 49 HD13 LEU 49 1.754 -9.993 -1.849 157 HD21 LEU 49 HD21 LEU 49 3.736 -9.558 -0.235 158 HD22 LEU 49 HD22 LEU 49 3.113 -7.960 0.206 159 HD23 LEU 49 HD23 LEU 49 4.733 -8.096 -0.463 160 H LYS 50 H LYS 50 5.495 -9.149 -5.773 161 HA LYS 50 HA LYS 50 6.749 -11.767 -5.451 162 HB2 LYS 50 HB2 LYS 50 6.610 -10.038 -7.945 163 HB3 LYS 50 HB3 LYS 50 7.023 -11.761 -7.817 164 HG2 LYS 50 HG2 LYS 50 4.733 -12.248 -6.989 165 HG3 LYS 50 HG3 LYS 50 4.296 -10.549 -7.225 166 HD2 LYS 50 HD2 LYS 50 5.321 -12.421 -9.403 167 HD3 LYS 50 HD3 LYS 50 3.618 -12.052 -9.123 168 HE2 LYS 50 HE2 LYS 50 3.885 -9.764 -9.762 169 HE3 LYS 50 HE3 LYS 50 5.650 -9.858 -9.736 170 HZ1 LYS 50 HZ1 LYS 50 4.085 -11.576 -11.572 171 HZ2 LYS 50 HZ2 LYS 50 5.665 -11.198 -11.649 172 HZ3 LYS 50 HZ3 LYS 50 4.557 -10.060 -12.022 173 H LYS 51 H LYS 51 7.953 -8.584 -6.476 174 HA LYS 51 HA LYS 51 10.733 -9.245 -6.767 175 HB2 LYS 51 HB2 LYS 51 9.193 -6.725 -6.227 176 HB3 LYS 51 HB3 LYS 51 10.960 -6.762 -6.179 177 HG2 LYS 51 HG2 LYS 51 10.853 -7.794 -8.522 178 HG3 LYS 51 HG3 LYS 51 9.141 -7.362 -8.543 179 HD2 LYS 51 HD2 LYS 51 10.546 -5.711 -9.685 180 HD3 LYS 51 HD3 LYS 51 9.766 -4.996 -8.269 181 HE2 LYS 51 HE2 LYS 51 11.777 -4.962 -7.011 182 HE3 LYS 51 HE3 LYS 51 12.539 -6.195 -8.030 183 HZ1 LYS 51 HZ1 LYS 51 11.933 -3.464 -8.961 184 HZ2 LYS 51 HZ2 LYS 51 13.403 -3.966 -8.382 185 HZ3 LYS 51 HZ3 LYS 51 12.771 -4.642 -9.763 186 H GLY 52 H GLY 52 8.824 -8.864 -3.881 187 HA2 GLY 52 HA2 GLY 52 11.201 -8.075 -2.297 188 HA3 GLY 52 HA3 GLY 52 9.503 -7.747 -2.033 189 H THR 53 H THR 53 8.354 -10.348 -2.045 190 HA THR 53 HA THR 53 9.286 -11.325 0.580 191 HB THR 53 HB THR 53 7.187 -12.476 0.674 192 HG1 THR 53 HG1 THR 53 6.650 -11.459 -1.974 193 HG21 THR 53 HG21 THR 53 5.531 -10.710 0.507 194 HG22 THR 53 HG22 THR 53 6.703 -9.663 -0.333 195 HG23 THR 53 HG23 THR 53 6.998 -10.216 1.333 196 H LYS 54 H LYS 54 9.208 -13.761 0.994 197 HA LYS 54 HA LYS 54 10.514 -15.278 -1.132 198 HB2 LYS 54 HB2 LYS 54 9.383 -16.291 1.501 199 HB3 LYS 54 HB3 LYS 54 10.417 -17.180 0.390 200 HG2 LYS 54 HG2 LYS 54 12.252 -15.617 0.695 201 HG3 LYS 54 HG3 LYS 54 11.258 -14.559 1.708 202 HD2 LYS 54 HD2 LYS 54 11.044 -16.348 3.402 203 HD3 LYS 54 HD3 LYS 54 12.108 -17.393 2.410 204 HE2 LYS 54 HE2 LYS 54 13.830 -15.556 2.475 205 HE3 LYS 54 HE3 LYS 54 12.774 -14.646 3.564 206 HZ1 LYS 54 HZ1 LYS 54 14.030 -17.274 4.136 207 HZ2 LYS 54 HZ2 LYS 54 12.963 -16.519 5.150 208 HZ3 LYS 54 HZ3 LYS 54 14.446 -15.859 4.788 209 H ASN 55 H ASN 55 7.173 -15.129 0.170 210 HA ASN 55 HA ASN 55 6.272 -16.148 -2.446 211 HB2 ASN 55 HB2 ASN 55 6.356 -18.149 -0.980 212 HB3 ASN 55 HB3 ASN 55 5.429 -17.296 0.252 213 HD21 ASN 55 HD21 ASN 55 3.623 -18.627 0.277 214 HD22 ASN 55 HD22 ASN 55 2.533 -18.776 -1.086 215 H SER 56 H SER 56 5.127 -14.597 -3.227 216 HA SER 56 HA SER 56 3.610 -12.640 -1.771 217 HB2 SER 56 HB2 SER 56 4.516 -12.096 -3.887 218 HB3 SER 56 HB3 SER 56 3.856 -13.527 -4.658 219 HG SER 56 HG SER 56 1.863 -12.675 -4.668 220 H ALA 57 H ALA 57 2.720 -15.873 -2.934 221 HA ALA 57 HA ALA 57 0.025 -15.338 -3.480 222 HB1 ALA 57 HB1 ALA 57 -0.175 -17.789 -3.653 223 HB2 ALA 57 HB2 ALA 57 1.365 -17.987 -2.800 224 HB3 ALA 57 HB3 ALA 57 1.325 -17.216 -4.400 225 H GLN 58 H GLN 58 1.258 -15.533 -0.309 226 HA GLN 58 HA GLN 58 -1.194 -16.594 0.906 227 HB2 GLN 58 HB2 GLN 58 -0.035 -16.213 3.005 228 HB3 GLN 58 HB3 GLN 58 0.976 -17.126 1.885 229 HG2 GLN 58 HG2 GLN 58 2.261 -15.081 1.337 230 HG3 GLN 58 HG3 GLN 58 1.265 -14.134 2.425 231 HE21 GLN 58 HE21 GLN 58 4.275 -14.889 2.435 232 HE22 GLN 58 HE22 GLN 58 4.452 -15.431 4.103 233 H PHE 59 H PHE 59 -0.187 -13.505 -0.278 234 HA PHE 59 HA PHE 59 -1.735 -11.953 1.709 235 HB2 PHE 59 HB2 PHE 59 -0.006 -11.149 -0.641 236 HB3 PHE 59 HB3 PHE 59 -0.852 -10.024 0.412 237 HD1 PHE 59 HD1 PHE 59 -0.254 -9.858 2.845 238 HD2 PHE 59 HD2 PHE 59 2.110 -12.174 0.097 239 HE1 PHE 59 HE1 PHE 59 1.627 -9.846 4.457 240 HE2 PHE 59 HE2 PHE 59 3.973 -12.214 1.725 241 HZ PHE 59 HZ PHE 59 3.743 -11.037 3.902 242 H GLU 60 H GLU 60 -3.722 -11.034 1.337 243 HA GLU 60 HA GLU 60 -5.060 -11.810 -1.239 244 HB2 GLU 60 HB2 GLU 60 -6.986 -12.424 -0.142 245 HB3 GLU 60 HB3 GLU 60 -5.681 -13.143 0.810 246 HG2 GLU 60 HG2 GLU 60 -5.868 -11.228 2.401 247 HG3 GLU 60 HG3 GLU 60 -7.241 -10.603 1.489 248 H LYS 61 H LYS 61 -4.572 -9.259 1.080 249 HA LYS 61 HA LYS 61 -5.344 -7.351 -0.974 250 HB2 LYS 61 HB2 LYS 61 -6.950 -6.090 0.183 251 HB3 LYS 61 HB3 LYS 61 -7.500 -7.753 0.240 252 HG2 LYS 61 HG2 LYS 61 -6.793 -7.923 2.607 253 HG3 LYS 61 HG3 LYS 61 -6.124 -6.282 2.551 254 HD2 LYS 61 HD2 LYS 61 -8.229 -5.274 2.265 255 HD3 LYS 61 HD3 LYS 61 -9.002 -6.766 1.757 256 HE2 LYS 61 HE2 LYS 61 -7.903 -6.291 4.546 257 HE3 LYS 61 HE3 LYS 61 -9.574 -5.969 4.081 258 HZ1 LYS 61 HZ1 LYS 61 -9.838 -8.367 3.590 259 HZ2 LYS 61 HZ2 LYS 61 -9.327 -8.123 5.123 260 HZ3 LYS 61 HZ3 LYS 61 -8.260 -8.636 4.036 261 H MET 62 H MET 62 -5.084 -5.136 -0.197 262 HA MET 62 HA MET 62 -2.881 -4.690 1.713 263 HB2 MET 62 HB2 MET 62 -1.472 -3.552 0.090 264 HB3 MET 62 HB3 MET 62 -1.781 -5.212 -0.424 265 HG2 MET 62 HG2 MET 62 -3.561 -4.375 -1.963 266 HG3 MET 62 HG3 MET 62 -3.124 -2.717 -1.519 267 HE1 MET 62 HE1 MET 62 -1.897 -3.388 -5.261 268 HE2 MET 62 HE2 MET 62 -2.878 -2.303 -4.243 269 HE3 MET 62 HE3 MET 62 -3.330 -4.017 -4.434 270 H VAL 63 H VAL 63 -2.515 -2.445 2.180 271 HA VAL 63 HA VAL 63 -4.686 -0.579 1.446 272 HB VAL 63 HB VAL 63 -3.864 -1.201 4.313 273 HG11 VAL 63 HG11 VAL 63 -5.564 0.444 4.957 274 HG12 VAL 63 HG12 VAL 63 -5.828 0.886 3.271 275 HG13 VAL 63 HG13 VAL 63 -4.267 1.229 4.061 276 HG21 VAL 63 HG21 VAL 63 -5.453 -2.847 3.585 277 HG22 VAL 63 HG22 VAL 63 -6.404 -1.643 2.710 278 HG23 VAL 63 HG23 VAL 63 -6.405 -1.636 4.465 279 H ILE 64 H ILE 64 -4.047 1.446 1.179 280 HA ILE 64 HA ILE 64 -1.096 1.991 1.264 281 HB ILE 64 HB ILE 64 -3.198 2.913 -0.729 282 HG12 ILE 64 HG12 ILE 64 -1.080 0.814 -1.324 283 HG13 ILE 64 HG13 ILE 64 -2.701 0.365 -0.809 284 HG21 ILE 64 HG21 ILE 64 -1.296 3.660 -2.090 285 HG22 ILE 64 HG22 ILE 64 -0.150 3.039 -0.885 286 HG23 ILE 64 HG23 ILE 64 -1.210 4.415 -0.509 287 HD11 ILE 64 HD11 ILE 64 -3.680 1.610 -2.714 288 HD12 ILE 64 HD12 ILE 64 -2.655 0.242 -3.180 289 HD13 ILE 64 HD13 ILE 64 -2.036 1.893 -3.333 290 H LEU 65 H LEU 65 -0.468 3.886 2.211 291 HA LEU 65 HA LEU 65 -2.572 5.897 2.951 292 HB2 LEU 65 HB2 LEU 65 -0.052 5.365 4.550 293 HB3 LEU 65 HB3 LEU 65 -1.393 6.429 4.953 294 HG LEU 65 HG LEU 65 -1.434 3.400 4.932 295 HD11 LEU 65 HD11 LEU 65 -1.704 3.590 7.337 296 HD12 LEU 65 HD12 LEU 65 -1.794 5.363 7.232 297 HD13 LEU 65 HD13 LEU 65 -0.277 4.526 6.867 298 HD21 LEU 65 HD21 LEU 65 -3.694 3.603 5.950 299 HD22 LEU 65 HD22 LEU 65 -3.678 4.200 4.288 300 HD23 LEU 65 HD23 LEU 65 -3.673 5.355 5.638 301 H THR 66 H THR 66 -2.303 7.730 1.868 302 HA THR 66 HA THR 66 0.323 8.221 0.515 303 HB THR 66 HB THR 66 -0.940 9.502 -1.109 304 HG1 THR 66 HG1 THR 66 -2.614 10.269 0.133 305 HG21 THR 66 HG21 THR 66 -0.705 7.058 -1.468 306 HG22 THR 66 HG22 THR 66 -2.175 7.727 -2.199 307 HG23 THR 66 HG23 THR 66 -2.287 6.807 -0.683 308 H GLU 67 H GLU 67 0.716 10.656 -0.020 309 HA GLU 67 HA GLU 67 0.504 12.459 2.174 310 HB2 GLU 67 HB2 GLU 67 0.183 13.464 -0.643 311 HB3 GLU 67 HB3 GLU 67 0.965 14.208 0.723 312 HG2 GLU 67 HG2 GLU 67 2.898 12.822 0.491 313 HG3 GLU 67 HG3 GLU 67 2.124 11.802 -0.726 314 H ASN 68 H ASN 68 -0.839 14.560 1.937 315 HA ASN 68 HA ASN 68 -2.829 15.551 2.329 316 HB2 ASN 68 HB2 ASN 68 -3.458 14.174 -0.298 317 HB3 ASN 68 HB3 ASN 68 -4.392 15.499 0.353 318 HD21 ASN 68 HD21 ASN 68 -1.730 14.735 -1.620 319 HD22 ASN 68 HD22 ASN 68 -0.939 16.309 -1.572 320 H LYS 69 H LYS 69 -2.542 12.976 3.635 321 HA LYS 69 HA LYS 69 -3.662 11.538 4.933 322 HB2 LYS 69 HB2 LYS 69 -5.749 13.743 4.990 323 HB3 LYS 69 HB3 LYS 69 -5.511 12.459 6.186 324 HG2 LYS 69 HG2 LYS 69 -3.152 13.316 6.553 325 HG3 LYS 69 HG3 LYS 69 -3.504 14.658 5.460 326 HD2 LYS 69 HD2 LYS 69 -3.719 15.424 7.729 327 HD3 LYS 69 HD3 LYS 69 -5.298 15.431 6.942 328 HE2 LYS 69 HE2 LYS 69 -5.538 14.600 9.174 329 HE3 LYS 69 HE3 LYS 69 -5.839 13.274 8.036 330 HZ1 LYS 69 HZ1 LYS 69 -4.413 12.681 9.967 331 HZ2 LYS 69 HZ2 LYS 69 -3.243 13.705 9.421 332 HZ3 LYS 69 HZ3 LYS 69 -3.682 12.379 8.534 333 H GLY 70 H GLY 70 -3.950 10.978 2.242 334 HA2 GLY 70 HA2 GLY 70 -6.605 9.783 1.852 335 HA3 GLY 70 HA3 GLY 70 -5.202 9.596 0.806 336 H TYR 71 H TYR 71 -7.098 7.683 1.810 337 HA TYR 71 HA TYR 71 -5.258 5.534 2.680 338 HB2 TYR 71 HB2 TYR 71 -6.202 6.017 4.775 339 HB3 TYR 71 HB3 TYR 71 -7.724 6.537 4.083 340 HD1 TYR 71 HD1 TYR 71 -9.386 4.895 3.205 341 HD2 TYR 71 HD2 TYR 71 -5.988 3.689 5.591 342 HE1 TYR 71 HE1 TYR 71 -10.490 2.730 3.679 343 HE2 TYR 71 HE2 TYR 71 -7.153 1.566 6.142 344 HH TYR 71 HH TYR 71 -10.402 0.782 4.831 345 H TYR 72 H TYR 72 -5.634 3.721 1.474 346 HA TYR 72 HA TYR 72 -8.211 3.386 0.014 347 HB2 TYR 72 HB2 TYR 72 -5.464 3.203 -1.291 348 HB3 TYR 72 HB3 TYR 72 -7.011 2.895 -2.067 349 HD1 TYR 72 HD1 TYR 72 -8.631 4.772 -2.449 350 HD2 TYR 72 HD2 TYR 72 -4.636 5.459 -0.972 351 HE1 TYR 72 HE1 TYR 72 -8.917 7.212 -2.814 352 HE2 TYR 72 HE2 TYR 72 -4.912 7.906 -1.363 353 HH TYR 72 HH TYR 72 -8.047 9.284 -2.379 354 H THR 73 H THR 73 -8.849 1.261 -0.207 355 HA THR 73 HA THR 73 -6.945 -0.856 0.714 356 HB THR 73 HB THR 73 -8.583 -0.575 2.450 357 HG1 THR 73 HG1 THR 73 -9.371 -2.738 2.384 358 HG21 THR 73 HG21 THR 73 -10.940 -1.065 2.168 359 HG22 THR 73 HG22 THR 73 -10.739 -1.259 0.411 360 HG23 THR 73 HG23 THR 73 -10.505 0.332 1.175 361 H VAL 74 H VAL 74 -6.720 -2.607 -0.499 362 HA VAL 74 HA VAL 74 -8.077 -2.628 -3.165 363 HB VAL 74 HB VAL 74 -5.062 -2.487 -2.738 364 HG11 VAL 74 HG11 VAL 74 -5.068 -2.074 -5.191 365 HG12 VAL 74 HG12 VAL 74 -6.821 -2.327 -5.222 366 HG13 VAL 74 HG13 VAL 74 -5.719 -3.661 -4.780 367 HG21 VAL 74 HG21 VAL 74 -5.214 -0.220 -3.792 368 HG22 VAL 74 HG22 VAL 74 -5.912 -0.284 -2.177 369 HG23 VAL 74 HG23 VAL 74 -6.980 -0.286 -3.600 370 H TYR 75 H TYR 75 -8.753 -4.634 -3.513 371 HA TYR 75 HA TYR 75 -7.626 -6.890 -2.022 372 HB2 TYR 75 HB2 TYR 75 -9.969 -6.559 -3.903 373 HB3 TYR 75 HB3 TYR 75 -9.447 -8.131 -3.315 374 HD1 TYR 75 HD1 TYR 75 -10.604 -4.749 -2.125 375 HD2 TYR 75 HD2 TYR 75 -10.023 -8.910 -1.138 376 HE1 TYR 75 HE1 TYR 75 -11.789 -4.402 0.020 377 HE2 TYR 75 HE2 TYR 75 -11.259 -8.569 0.979 378 HH TYR 75 HH TYR 75 -12.506 -5.344 1.963 379 H LEU 76 H LEU 76 -6.015 -8.094 -2.647 380 HA LEU 76 HA LEU 76 -4.884 -8.017 -5.378 381 HB2 LEU 76 HB2 LEU 76 -4.125 -9.502 -2.822 382 HB3 LEU 76 HB3 LEU 76 -3.218 -9.589 -4.320 383 HG LEU 76 HG LEU 76 -3.707 -6.930 -2.904 384 HD11 LEU 76 HD11 LEU 76 -1.456 -7.169 -1.971 385 HD12 LEU 76 HD12 LEU 76 -1.360 -8.836 -2.591 386 HD13 LEU 76 HD13 LEU 76 -2.550 -8.410 -1.338 387 HD21 LEU 76 HD21 LEU 76 -1.645 -7.887 -4.934 388 HD22 LEU 76 HD22 LEU 76 -1.678 -6.280 -4.194 389 HD23 LEU 76 HD23 LEU 76 -2.993 -6.770 -5.265 390 H ASN 77 H ASN 77 -6.836 -10.098 -3.339 391 HA ASN 77 HA ASN 77 -6.880 -12.459 -4.911 392 HB2 ASN 77 HB2 ASN 77 -7.592 -12.104 -2.500 393 HB3 ASN 77 HB3 ASN 77 -9.049 -11.309 -3.102 394 HD21 ASN 77 HD21 ASN 77 -10.452 -12.884 -2.169 395 HD22 ASN 77 HD22 ASN 77 -10.480 -14.525 -2.809 396 H THR 78 H THR 78 -7.869 -9.483 -6.042 397 HA THR 78 HA THR 78 -9.512 -10.759 -8.137 398 HB THR 78 HB THR 78 -10.901 -8.710 -8.315 399 HG1 THR 78 HG1 THR 78 -11.041 -7.553 -6.238 400 HG21 THR 78 HG21 THR 78 -11.143 -10.028 -5.578 401 HG22 THR 78 HG22 THR 78 -11.683 -10.773 -7.096 402 HG23 THR 78 HG23 THR 78 -12.434 -9.272 -6.537 403 HA PRO 79 HA PRO 79 -6.482 -8.622 -10.750 404 HB2 PRO 79 HB2 PRO 79 -8.755 -8.720 -12.726 405 HB3 PRO 79 HB3 PRO 79 -7.032 -9.137 -12.974 406 HG2 PRO 79 HG2 PRO 79 -8.868 -11.089 -12.667 407 HG3 PRO 79 HG3 PRO 79 -7.303 -11.206 -11.789 408 HD2 PRO 79 HD2 PRO 79 -9.965 -10.249 -10.725 409 HD3 PRO 79 HD3 PRO 79 -8.783 -11.393 -10.001 410 H LEU 80 H LEU 80 -6.162 -6.525 -11.645 411 HA LEU 80 HA LEU 80 -7.743 -4.359 -10.641 412 HB2 LEU 80 HB2 LEU 80 -5.246 -4.658 -11.246 413 HB3 LEU 80 HB3 LEU 80 -5.711 -4.333 -12.907 414 HG LEU 80 HG LEU 80 -6.237 -2.415 -10.576 415 HD11 LEU 80 HD11 LEU 80 -4.164 -1.284 -11.402 416 HD12 LEU 80 HD12 LEU 80 -3.939 -2.574 -12.603 417 HD13 LEU 80 HD13 LEU 80 -3.815 -2.945 -10.878 418 HD21 LEU 80 HD21 LEU 80 -6.121 -1.952 -13.573 419 HD22 LEU 80 HD22 LEU 80 -6.302 -0.704 -12.312 420 HD23 LEU 80 HD23 LEU 80 -7.580 -1.890 -12.554 421 H ALA 81 H ALA 81 -9.484 -3.348 -11.535 422 HA ALA 81 HA ALA 81 -10.267 -3.831 -14.375 423 HB1 ALA 81 HB1 ALA 81 -12.079 -3.881 -11.929 424 HB2 ALA 81 HB2 ALA 81 -11.523 -5.313 -12.827 425 HB3 ALA 81 HB3 ALA 81 -12.577 -4.129 -13.615 426 H GLU 82 H GLU 82 -12.152 -2.277 -14.954 427 HA GLU 82 HA GLU 82 -11.076 0.134 -15.406 428 HB2 GLU 82 HB2 GLU 82 -13.224 0.972 -16.112 429 HB3 GLU 82 HB3 GLU 82 -12.958 -0.686 -16.646 430 HG2 GLU 82 HG2 GLU 82 -14.498 -1.560 -15.004 431 HG3 GLU 82 HG3 GLU 82 -14.620 -0.001 -14.180 432 H ASP 83 H ASP 83 -12.973 -0.397 -12.437 433 HA ASP 83 HA ASP 83 -13.166 2.433 -11.764 434 HB2 ASP 83 HB2 ASP 83 -13.393 -0.107 -10.100 435 HB3 ASP 83 HB3 ASP 83 -13.750 1.515 -9.491 436 H ARG 84 H ARG 84 -10.704 -0.027 -11.303 437 HA ARG 84 HA ARG 84 -9.133 1.611 -9.380 438 HB2 ARG 84 HB2 ARG 84 -8.723 -1.150 -10.616 439 HB3 ARG 84 HB3 ARG 84 -7.684 -0.439 -9.386 440 HG2 ARG 84 HG2 ARG 84 -9.267 -0.662 -7.678 441 HG3 ARG 84 HG3 ARG 84 -10.633 -0.687 -8.778 442 HD2 ARG 84 HD2 ARG 84 -10.506 -2.837 -8.012 443 HD3 ARG 84 HD3 ARG 84 -9.862 -2.932 -9.644 444 HE ARG 84 HE ARG 84 -7.570 -2.674 -8.091 445 HH11 ARG 84 HH11 ARG 84 -10.190 -5.047 -8.046 446 HH12 ARG 84 HH12 ARG 84 -9.303 -6.088 -6.954 447 HH21 ARG 84 HH21 ARG 84 -6.562 -3.978 -6.866 448 HH22 ARG 84 HH22 ARG 84 -7.315 -5.471 -6.220 449 H LYS 85 H LYS 85 -9.263 0.716 -12.791 450 HA LYS 85 HA LYS 85 -6.652 1.632 -13.599 451 HB2 LYS 85 HB2 LYS 85 -9.299 1.383 -15.062 452 HB3 LYS 85 HB3 LYS 85 -7.809 1.896 -15.842 453 HG2 LYS 85 HG2 LYS 85 -6.700 -0.226 -15.109 454 HG3 LYS 85 HG3 LYS 85 -8.269 -0.776 -14.475 455 HD2 LYS 85 HD2 LYS 85 -9.246 -0.512 -16.735 456 HD3 LYS 85 HD3 LYS 85 -7.641 -0.043 -17.341 457 HE2 LYS 85 HE2 LYS 85 -6.731 -2.242 -16.721 458 HE3 LYS 85 HE3 LYS 85 -8.279 -2.706 -15.986 459 HZ1 LYS 85 HZ1 LYS 85 -9.312 -2.554 -18.146 460 HZ2 LYS 85 HZ2 LYS 85 -8.060 -3.606 -18.232 461 HZ3 LYS 85 HZ3 LYS 85 -7.918 -2.069 -18.856 462 H ASN 86 H ASN 86 -9.578 3.393 -12.891 463 HA ASN 86 HA ASN 86 -8.400 5.910 -14.009 464 HB2 ASN 86 HB2 ASN 86 -11.245 4.836 -13.908 465 HB3 ASN 86 HB3 ASN 86 -10.792 6.407 -14.550 466 HD21 ASN 86 HD21 ASN 86 -11.448 3.278 -15.397 467 HD22 ASN 86 HD22 ASN 86 -10.845 3.430 -17.053 468 H VAL 87 H VAL 87 -9.199 4.636 -10.991 469 HA VAL 87 HA VAL 87 -10.199 7.062 -9.734 470 HB VAL 87 HB VAL 87 -10.433 4.753 -8.806 471 HG11 VAL 87 HG11 VAL 87 -8.694 3.673 -7.589 472 HG12 VAL 87 HG12 VAL 87 -7.542 4.987 -7.903 473 HG13 VAL 87 HG13 VAL 87 -8.097 3.951 -9.233 474 HG21 VAL 87 HG21 VAL 87 -9.056 6.673 -6.908 475 HG22 VAL 87 HG22 VAL 87 -10.167 5.349 -6.504 476 HG23 VAL 87 HG23 VAL 87 -10.766 6.749 -7.407 477 H GLU 88 H GLU 88 -9.045 8.745 -8.826 478 HA GLU 88 HA GLU 88 -6.067 8.680 -9.084 479 HB2 GLU 88 HB2 GLU 88 -8.010 11.001 -8.951 480 HB3 GLU 88 HB3 GLU 88 -6.262 11.167 -8.734 481 HG2 GLU 88 HG2 GLU 88 -5.859 10.128 -10.941 482 HG3 GLU 88 HG3 GLU 88 -7.604 10.038 -11.215 483 H LEU 89 H LEU 89 -4.779 8.990 -7.478 484 HA LEU 89 HA LEU 89 -5.629 8.511 -4.732 485 HB2 LEU 89 HB2 LEU 89 -2.972 9.039 -6.123 486 HB3 LEU 89 HB3 LEU 89 -3.083 8.555 -4.454 487 HG LEU 89 HG LEU 89 -4.126 6.861 -6.785 488 HD11 LEU 89 HD11 LEU 89 -2.117 5.516 -6.562 489 HD12 LEU 89 HD12 LEU 89 -1.482 6.624 -5.318 490 HD13 LEU 89 HD13 LEU 89 -1.707 7.178 -6.988 491 HD21 LEU 89 HD21 LEU 89 -5.117 6.265 -4.589 492 HD22 LEU 89 HD22 LEU 89 -3.479 6.095 -3.909 493 HD23 LEU 89 HD23 LEU 89 -4.034 5.006 -5.200 494 H LEU 90 H LEU 90 -5.419 9.927 -2.983 495 HA LEU 90 HA LEU 90 -5.461 12.772 -3.371 496 HB2 LEU 90 HB2 LEU 90 -5.390 10.862 -1.055 497 HB3 LEU 90 HB3 LEU 90 -4.949 12.520 -0.717 498 HG LEU 90 HG LEU 90 -7.533 11.848 -2.169 499 HD11 LEU 90 HD11 LEU 90 -8.653 12.139 0.021 500 HD12 LEU 90 HD12 LEU 90 -7.066 12.209 0.823 501 HD13 LEU 90 HD13 LEU 90 -7.603 10.723 -0.004 502 HD21 LEU 90 HD21 LEU 90 -8.219 14.062 -1.372 503 HD22 LEU 90 HD22 LEU 90 -6.733 14.214 -2.311 504 HD23 LEU 90 HD23 LEU 90 -6.662 14.279 -0.537 505 H GLY 91 H GLY 91 -2.753 10.587 -2.921 506 HA2 GLY 91 HA2 GLY 91 -0.873 12.729 -3.498 507 HA3 GLY 91 HA3 GLY 91 -0.793 12.122 -1.844 508 H LYS 92 H LYS 92 1.454 11.877 -2.962 509 HA LYS 92 HA LYS 92 1.976 9.493 -4.438 510 HB2 LYS 92 HB2 LYS 92 3.391 11.683 -3.953 511 HB3 LYS 92 HB3 LYS 92 3.983 10.759 -2.586 512 HG2 LYS 92 HG2 LYS 92 5.514 10.337 -4.315 513 HG3 LYS 92 HG3 LYS 92 4.458 8.916 -4.393 514 HD2 LYS 92 HD2 LYS 92 3.155 10.175 -6.225 515 HD3 LYS 92 HD3 LYS 92 4.483 11.358 -6.199 516 HE2 LYS 92 HE2 LYS 92 6.093 9.474 -6.623 517 HE3 LYS 92 HE3 LYS 92 4.719 8.359 -6.716 518 HZ1 LYS 92 HZ1 LYS 92 5.275 10.618 -8.554 519 HZ2 LYS 92 HZ2 LYS 92 3.874 9.779 -8.569 520 HZ3 LYS 92 HZ3 LYS 92 5.284 9.008 -8.928 521 H MET 93 H MET 93 3.136 7.648 -3.790 522 HA MET 93 HA MET 93 1.790 6.076 -1.828 523 HB2 MET 93 HB2 MET 93 2.661 5.342 -4.092 524 HB3 MET 93 HB3 MET 93 4.301 5.499 -3.473 525 HG2 MET 93 HG2 MET 93 3.498 3.733 -1.670 526 HG3 MET 93 HG3 MET 93 2.197 3.440 -2.808 527 HE1 MET 93 HE1 MET 93 6.156 1.420 -2.798 528 HE2 MET 93 HE2 MET 93 4.795 1.488 -1.655 529 HE3 MET 93 HE3 MET 93 5.872 2.893 -1.842 530 H TYR 94 H TYR 94 2.586 7.732 0.007 531 HA TYR 94 HA TYR 94 5.194 7.519 0.977 532 HB2 TYR 94 HB2 TYR 94 3.647 9.250 1.725 533 HB3 TYR 94 HB3 TYR 94 2.640 8.062 2.519 534 HD1 TYR 94 HD1 TYR 94 6.346 8.754 2.429 535 HD2 TYR 94 HD2 TYR 94 2.846 8.104 4.875 536 HE1 TYR 94 HE1 TYR 94 7.753 8.761 4.460 537 HE2 TYR 94 HE2 TYR 94 4.275 8.155 6.916 538 HH TYR 94 HH TYR 94 7.842 8.354 6.663 539 H LYS 95 H LYS 95 2.441 5.419 1.991 540 HA LYS 95 HA LYS 95 4.406 3.311 2.781 541 HB2 LYS 95 HB2 LYS 95 2.080 4.232 4.521 542 HB3 LYS 95 HB3 LYS 95 3.050 2.797 4.819 543 HG2 LYS 95 HG2 LYS 95 4.118 5.633 4.904 544 HG3 LYS 95 HG3 LYS 95 3.554 4.706 6.294 545 HD2 LYS 95 HD2 LYS 95 5.333 3.035 5.953 546 HD3 LYS 95 HD3 LYS 95 5.892 3.900 4.514 547 HE2 LYS 95 HE2 LYS 95 6.168 5.964 6.045 548 HE3 LYS 95 HE3 LYS 95 5.904 4.865 7.406 549 HZ1 LYS 95 HZ1 LYS 95 8.125 4.845 5.462 550 HZ2 LYS 95 HZ2 LYS 95 7.824 3.555 6.465 551 HZ3 LYS 95 HZ3 LYS 95 8.229 5.011 7.093 552 H THR 96 H THR 96 3.536 1.168 2.782 553 HA THR 96 HA THR 96 0.676 0.812 2.144 554 HB THR 96 HB THR 96 2.792 -0.644 0.507 555 HG1 THR 96 HG1 THR 96 2.181 1.646 0.086 556 HG21 THR 96 HG21 THR 96 0.843 -1.422 -0.821 557 HG22 THR 96 HG22 THR 96 -0.263 -0.643 0.324 558 HG23 THR 96 HG23 THR 96 0.734 -2.023 0.820 559 H TYR 97 H TYR 97 -0.143 -1.039 2.865 560 HA TYR 97 HA TYR 97 1.473 -2.793 4.671 561 HB2 TYR 97 HB2 TYR 97 -1.312 -1.621 5.161 562 HB3 TYR 97 HB3 TYR 97 -0.427 -2.677 6.238 563 HD1 TYR 97 HD1 TYR 97 -0.567 0.776 4.840 564 HD2 TYR 97 HD2 TYR 97 1.352 -1.860 7.650 565 HE1 TYR 97 HE1 TYR 97 0.644 2.700 5.845 566 HE2 TYR 97 HE2 TYR 97 2.587 0.051 8.611 567 HH TYR 97 HH TYR 97 2.850 2.352 8.633 568 H PHE 98 H PHE 98 1.015 -4.965 4.510 569 HA PHE 98 HA PHE 98 -1.136 -5.822 2.579 570 HB2 PHE 98 HB2 PHE 98 1.699 -6.773 2.956 571 HB3 PHE 98 HB3 PHE 98 0.532 -7.576 1.935 572 HD1 PHE 98 HD1 PHE 98 2.526 -4.413 2.285 573 HD2 PHE 98 HD2 PHE 98 0.030 -6.843 -0.242 574 HE1 PHE 98 HE1 PHE 98 3.198 -3.068 0.299 575 HE2 PHE 98 HE2 PHE 98 0.796 -5.570 -2.234 576 HZ PHE 98 HZ PHE 98 2.407 -3.706 -1.961 577 H PHE 99 H PHE 99 -2.252 -7.670 2.926 578 HA PHE 99 HA PHE 99 -2.107 -8.800 5.693 579 HB2 PHE 99 HB2 PHE 99 -4.529 -8.049 3.994 580 HB3 PHE 99 HB3 PHE 99 -4.558 -8.709 5.624 581 HD1 PHE 99 HD1 PHE 99 -3.576 -5.733 3.593 582 HD2 PHE 99 HD2 PHE 99 -4.279 -7.298 7.544 583 HE1 PHE 99 HE1 PHE 99 -3.207 -3.475 4.544 584 HE2 PHE 99 HE2 PHE 99 -4.023 -5.016 8.472 585 HZ PHE 99 HZ PHE 99 -3.383 -3.124 6.996 586 H LYS 100 H LYS 100 -2.160 -10.956 5.917 587 HA LYS 100 HA LYS 100 -2.259 -12.631 3.518 588 HB2 LYS 100 HB2 LYS 100 -1.887 -13.357 6.429 589 HB3 LYS 100 HB3 LYS 100 -1.794 -14.503 5.071 590 HG2 LYS 100 HG2 LYS 100 0.233 -13.929 4.442 591 HG3 LYS 100 HG3 LYS 100 0.007 -12.202 4.672 592 HD2 LYS 100 HD2 LYS 100 0.403 -12.385 7.044 593 HD3 LYS 100 HD3 LYS 100 0.335 -14.151 6.976 594 HE2 LYS 100 HE2 LYS 100 2.359 -13.993 5.383 595 HE3 LYS 100 HE3 LYS 100 2.520 -12.320 5.906 596 HZ1 LYS 100 HZ1 LYS 100 2.396 -14.548 7.854 597 HZ2 LYS 100 HZ2 LYS 100 2.958 -13.034 8.105 598 HZ3 LYS 100 HZ3 LYS 100 3.817 -14.093 7.166 599 H LYS 101 H LYS 101 -3.483 -14.587 3.394 600 HA LYS 101 HA LYS 101 -6.226 -14.404 3.217 601 HB2 LYS 101 HB2 LYS 101 -4.539 -16.835 3.837 602 HB3 LYS 101 HB3 LYS 101 -6.257 -16.915 3.440 603 HG2 LYS 101 HG2 LYS 101 -5.816 -15.890 1.229 604 HG3 LYS 101 HG3 LYS 101 -4.089 -15.784 1.615 605 HD2 LYS 101 HD2 LYS 101 -4.047 -18.264 1.972 606 HD3 LYS 101 HD3 LYS 101 -5.745 -18.330 1.465 607 HE2 LYS 101 HE2 LYS 101 -5.053 -17.326 -0.744 608 HE3 LYS 101 HE3 LYS 101 -3.363 -17.415 -0.213 609 HZ1 LYS 101 HZ1 LYS 101 -3.767 -19.859 0.104 610 HZ2 LYS 101 HZ2 LYS 101 -3.851 -19.383 -1.469 611 HZ3 LYS 101 HZ3 LYS 101 -5.232 -19.679 -0.627 612 H GLY 102 H GLY 102 -7.633 -13.663 4.690 613 HA2 GLY 102 HA2 GLY 102 -9.117 -13.845 6.436 614 HA3 GLY 102 HA3 GLY 102 -8.371 -15.367 6.924 615 H GLU 103 H GLU 103 -6.395 -12.431 6.705 616 HA GLU 103 HA GLU 103 -6.410 -12.134 9.699 617 HB2 GLU 103 HB2 GLU 103 -4.123 -12.006 7.707 618 HB3 GLU 103 HB3 GLU 103 -3.980 -11.391 9.336 619 HG2 GLU 103 HG2 GLU 103 -4.840 -14.273 8.877 620 HG3 GLU 103 HG3 GLU 103 -3.154 -13.793 8.759 621 H SER 104 H SER 104 -5.906 -10.010 10.514 622 HA SER 104 HA SER 104 -6.911 -7.807 8.753 623 HB2 SER 104 HB2 SER 104 -8.312 -7.170 10.715 624 HB3 SER 104 HB3 SER 104 -8.754 -8.705 9.957 625 HG SER 104 HG SER 104 -8.692 -9.007 12.175 626 H LYS 105 H LYS 105 -4.318 -8.586 10.632 627 HA LYS 105 HA LYS 105 -3.578 -5.690 10.587 628 HB2 LYS 105 HB2 LYS 105 -3.873 -6.436 12.901 629 HB3 LYS 105 HB3 LYS 105 -2.679 -7.724 12.646 630 HG2 LYS 105 HG2 LYS 105 -0.925 -6.188 12.463 631 HG3 LYS 105 HG3 LYS 105 -1.944 -4.796 12.254 632 HD2 LYS 105 HD2 LYS 105 -1.103 -4.748 14.531 633 HD3 LYS 105 HD3 LYS 105 -2.822 -5.126 14.591 634 HE2 LYS 105 HE2 LYS 105 -2.286 -7.530 14.802 635 HE3 LYS 105 HE3 LYS 105 -0.553 -7.139 14.800 636 HZ1 LYS 105 HZ1 LYS 105 -1.626 -7.399 17.070 637 HZ2 LYS 105 HZ2 LYS 105 -2.468 -6.033 16.785 638 HZ3 LYS 105 HZ3 LYS 105 -0.849 -5.951 16.863 639 H SER 106 H SER 106 -1.741 -5.243 9.504 640 HA SER 106 HA SER 106 -1.111 -7.102 7.457 641 HB2 SER 106 HB2 SER 106 0.314 -5.456 6.527 642 HB3 SER 106 HB3 SER 106 -1.028 -4.603 7.287 643 HG SER 106 HG SER 106 1.684 -4.736 7.989 644 H SER 107 H SER 107 0.959 -7.877 6.749 645 HA SER 107 HA SER 107 2.949 -8.496 8.922 646 HB2 SER 107 HB2 SER 107 1.482 -10.407 8.564 647 HB3 SER 107 HB3 SER 107 1.789 -10.358 6.821 648 HG SER 107 HG SER 107 3.817 -10.702 8.780 649 H TYR 108 H TYR 108 2.482 -7.331 5.741 650 HA TYR 108 HA TYR 108 5.426 -7.084 5.463 651 HB2 TYR 108 HB2 TYR 108 4.406 -8.783 3.800 652 HB3 TYR 108 HB3 TYR 108 3.676 -7.408 3.009 653 HD1 TYR 108 HD1 TYR 108 6.837 -8.887 4.102 654 HD2 TYR 108 HD2 TYR 108 5.001 -6.126 1.389 655 HE1 TYR 108 HE1 TYR 108 8.973 -8.777 2.776 656 HE2 TYR 108 HE2 TYR 108 7.149 -6.035 0.056 657 HH TYR 108 HH TYR 108 9.343 -6.741 -0.091 658 H VAL 109 H VAL 109 6.059 -5.052 4.986 659 HA VAL 109 HA VAL 109 4.057 -3.055 4.156 660 HB VAL 109 HB VAL 109 4.648 -1.447 5.790 661 HG11 VAL 109 HG11 VAL 109 3.681 -2.313 7.785 662 HG12 VAL 109 HG12 VAL 109 4.041 -3.985 7.291 663 HG13 VAL 109 HG13 VAL 109 2.861 -3.004 6.360 664 HG21 VAL 109 HG21 VAL 109 6.656 -3.357 6.829 665 HG22 VAL 109 HG22 VAL 109 5.973 -2.046 7.838 666 HG23 VAL 109 HG23 VAL 109 6.765 -1.624 6.324 667 H ILE 110 H ILE 110 4.920 -1.134 3.361 668 HA ILE 110 HA ILE 110 7.730 -1.318 2.365 669 HB ILE 110 HB ILE 110 5.311 -1.025 0.623 670 HG12 ILE 110 HG12 ILE 110 6.772 -3.553 1.346 671 HG13 ILE 110 HG13 ILE 110 5.072 -3.243 1.360 672 HG21 ILE 110 HG21 ILE 110 6.846 -1.384 -1.284 673 HG22 ILE 110 HG22 ILE 110 8.205 -1.586 -0.167 674 HG23 ILE 110 HG23 ILE 110 7.375 -0.024 -0.319 675 HD11 ILE 110 HD11 ILE 110 5.431 -4.717 -0.427 676 HD12 ILE 110 HD12 ILE 110 6.843 -3.814 -1.003 677 HD13 ILE 110 HD13 ILE 110 5.192 -3.139 -1.200 678 H ASN 111 H ASN 111 8.639 0.544 1.954 679 HA ASN 111 HA ASN 111 7.192 3.035 2.736 680 HB2 ASN 111 HB2 ASN 111 10.082 2.097 2.959 681 HB3 ASN 111 HB3 ASN 111 9.529 3.688 3.451 682 HD21 ASN 111 HD21 ASN 111 10.805 2.058 5.302 683 HD22 ASN 111 HD22 ASN 111 9.575 1.703 6.529 684 H GLY 112 H GLY 112 7.182 4.777 1.388 685 HA2 GLY 112 HA2 GLY 112 8.852 4.770 -1.078 686 HA3 GLY 112 HA3 GLY 112 7.099 4.635 -1.204 687 HA PRO 113 HA PRO 113 8.539 9.030 -1.282 688 HB2 PRO 113 HB2 PRO 113 7.538 9.822 -3.668 689 HB3 PRO 113 HB3 PRO 113 9.038 8.872 -3.517 690 HG2 PRO 113 HG2 PRO 113 6.263 7.795 -4.104 691 HG3 PRO 113 HG3 PRO 113 7.767 7.496 -5.007 692 HD2 PRO 113 HD2 PRO 113 6.821 5.806 -3.077 693 HD3 PRO 113 HD3 PRO 113 8.579 6.077 -3.273 694 H GLY 114 H GLY 114 7.467 10.573 -0.372 695 HA2 GLY 114 HA2 GLY 114 5.197 11.903 -0.781 696 HA3 GLY 114 HA3 GLY 114 4.555 10.536 0.131 697 H LYS 115 H LYS 115 7.424 10.763 1.560 698 HA LYS 115 HA LYS 115 8.307 11.523 3.469 699 HB2 LYS 115 HB2 LYS 115 8.508 13.520 2.092 700 HB3 LYS 115 HB3 LYS 115 6.974 14.145 2.709 701 HG2 LYS 115 HG2 LYS 115 7.918 14.249 4.993 702 HG3 LYS 115 HG3 LYS 115 9.442 13.588 4.393 703 HD2 LYS 115 HD2 LYS 115 8.187 16.238 3.567 704 HD3 LYS 115 HD3 LYS 115 9.528 16.034 4.704 705 HE2 LYS 115 HE2 LYS 115 10.920 15.040 2.901 706 HE3 LYS 115 HE3 LYS 115 9.594 15.258 1.752 707 HZ1 LYS 115 HZ1 LYS 115 9.716 17.660 2.184 708 HZ2 LYS 115 HZ2 LYS 115 11.178 17.086 1.624 709 HZ3 LYS 115 HZ3 LYS 115 10.980 17.431 3.206 710 H THR 116 H THR 116 4.817 12.251 3.429 711 HA THR 116 HA THR 116 4.410 11.187 6.080 712 HB THR 116 HB THR 116 5.367 13.275 6.838 713 HG1 THR 116 HG1 THR 116 3.363 12.568 7.811 714 HG21 THR 116 HG21 THR 116 3.459 14.660 4.912 715 HG22 THR 116 HG22 THR 116 5.236 14.729 4.943 716 HG23 THR 116 HG23 THR 116 4.301 15.483 6.236 717 H ASN 117 H ASN 117 2.148 11.077 6.603 718 HA ASN 117 HA ASN 117 0.348 11.261 4.316 719 HB2 ASN 117 HB2 ASN 117 -0.141 10.578 7.250 720 HB3 ASN 117 HB3 ASN 117 -1.295 10.396 5.924 721 HD21 ASN 117 HD21 ASN 117 -0.316 9.187 3.952 722 HD22 ASN 117 HD22 ASN 117 0.672 7.781 4.331 723 H GLU 118 H GLU 118 1.218 13.390 6.947 724 HA GLU 118 HA GLU 118 -1.187 14.973 7.064 725 HB2 GLU 118 HB2 GLU 118 1.639 15.723 7.888 726 HB3 GLU 118 HB3 GLU 118 0.153 16.454 8.466 727 HG2 GLU 118 HG2 GLU 118 1.148 13.647 9.043 728 HG3 GLU 118 HG3 GLU 118 1.114 15.010 10.142 729 H TYR 119 H TYR 119 -0.008 14.713 4.364 730 HA TYR 119 HA TYR 119 0.725 15.656 2.548 731 HB2 TYR 119 HB2 TYR 119 -0.448 17.237 1.672 732 HB3 TYR 119 HB3 TYR 119 -1.419 17.055 3.110 733 HD1 TYR 119 HD1 TYR 119 1.067 19.155 1.343 734 HD2 TYR 119 HD2 TYR 119 -1.693 18.910 4.651 735 HE1 TYR 119 HE1 TYR 119 1.227 21.601 1.651 736 HE2 TYR 119 HE2 TYR 119 -1.538 21.380 4.953 737 HH TYR 119 HH TYR 119 0.549 23.401 2.832 738 H ALA 120 H ALA 120 2.155 16.956 1.391 739 HA ALA 120 HA ALA 120 4.463 18.101 2.850 740 HB1 ALA 120 HB1 ALA 120 4.767 15.683 2.965 741 HB2 ALA 120 HB2 ALA 120 5.913 16.353 1.791 742 HB3 ALA 120 HB3 ALA 120 4.437 15.513 1.242 743 H TYR 121 H TYR 121 3.593 19.988 1.657 744 HA TYR 121 HA TYR 121 4.777 20.153 -1.047 745 HB2 TYR 121 HB2 TYR 121 2.300 19.632 -1.257 746 HB3 TYR 121 HB3 TYR 121 1.979 21.210 -0.555 747 HD1 TYR 121 HD1 TYR 121 2.609 23.295 -1.813 748 HD2 TYR 121 HD2 TYR 121 3.143 19.371 -3.511 749 HE1 TYR 121 HE1 TYR 121 2.868 24.301 -4.085 750 HE2 TYR 121 HE2 TYR 121 3.414 20.373 -5.769 751 HH TYR 121 HH TYR 121 3.459 22.305 -7.000 752 H1 ACE 6 H1 ACE 6 10.178 10.157 -5.120 753 H2 ACE 6 H2 ACE 6 11.810 10.748 -5.492 754 H3 ACE 6 H3 ACE 6 10.687 10.350 -6.809 755 H THR 7 H THR 7 11.472 8.594 -3.801 756 HA THR 7 HA THR 7 13.243 6.734 -5.026 757 HB THR 7 HB THR 7 13.235 7.340 -2.624 758 HG1 THR 7 HG1 THR 7 13.702 5.164 -1.986 759 HG21 THR 7 HG21 THR 7 10.779 7.054 -2.160 760 HG22 THR 7 HG22 THR 7 10.987 5.294 -2.341 761 HG23 THR 7 HG23 THR 7 11.827 6.170 -1.045 762 H THR 8 H THR 8 13.094 4.435 -5.111 763 HA THR 8 HA THR 8 10.525 3.109 -5.087 764 HB THR 8 HB THR 8 10.544 4.136 -7.324 765 HG1 THR 8 HG1 THR 8 10.524 1.323 -7.465 766 HG21 THR 8 HG21 THR 8 12.670 2.078 -8.007 767 HG22 THR 8 HG22 THR 8 12.847 3.853 -8.046 768 HG23 THR 8 HG23 THR 8 11.734 3.051 -9.159 769 HA PRO 9 HA PRO 9 13.643 -0.374 -5.578 770 HB2 PRO 9 HB2 PRO 9 16.297 -0.152 -5.588 771 HB3 PRO 9 HB3 PRO 9 15.249 0.460 -6.912 772 HG2 PRO 9 HG2 PRO 9 16.300 2.061 -4.544 773 HG3 PRO 9 HG3 PRO 9 16.585 2.419 -6.282 774 HD2 PRO 9 HD2 PRO 9 14.556 3.523 -4.886 775 HD3 PRO 9 HD3 PRO 9 14.351 3.031 -6.610 776 H ASP 10 H ASP 10 12.484 0.131 -3.483 777 HA ASP 10 HA ASP 10 14.054 -1.155 -1.294 778 HB2 ASP 10 HB2 ASP 10 13.978 1.256 -0.754 779 HB3 ASP 10 HB3 ASP 10 12.222 1.245 -0.903 780 HN2 TYS 11 HN2 TYS 11 13.143 -3.109 -1.728 781 HA TYS 11 HA TYS 11 10.347 -3.247 -2.635 782 HB2 TYS 11 HB2 TYS 11 12.833 -4.785 -3.272 783 HB3 TYS 11 HB3 TYS 11 11.342 -5.710 -3.243 784 HD1 TYS 11 HD1 TYS 11 9.484 -5.233 -4.655 785 HD2 TYS 11 HD2 TYS 11 12.876 -2.601 -4.639 786 HE1 TYS 11 HE1 TYS 11 8.512 -4.000 -6.463 787 HE2 TYS 11 HE2 TYS 11 11.728 -1.176 -6.236 788 H GLY 12 H GLY 12 10.566 -2.719 -0.355 789 HA2 GLY 12 HA2 GLY 12 9.048 -2.944 1.381 790 HA3 GLY 12 HA3 GLY 12 8.499 -4.433 0.599 791 H HIS 13 H HIS 13 8.450 -4.550 3.359 792 HA HIS 13 HA HIS 13 10.363 -6.739 3.783 793 HB2 HIS 13 HB2 HIS 13 11.089 -5.821 5.989 794 HB3 HIS 13 HB3 HIS 13 11.786 -4.991 4.600 795 HD1 HIS 13 HD1 HIS 13 10.930 -2.518 4.035 796 HD2 HIS 13 HD2 HIS 13 9.056 -4.347 7.354 797 HE1 HIS 13 HE1 HIS 13 9.103 -0.894 4.943 798 HE2 HIS 13 HE2 HIS 13 8.533 -1.777 7.300 799 HN2 TYS 14 HN2 TYS 14 9.914 -8.046 5.565 800 HA TYS 14 HA TYS 14 7.117 -7.992 6.453 801 HB2 TYS 14 HB2 TYS 14 9.421 -9.877 7.074 802 HB3 TYS 14 HB3 TYS 14 7.874 -9.981 7.878 803 HD1 TYS 14 HD1 TYS 14 9.431 -10.178 4.402 804 HD2 TYS 14 HD2 TYS 14 5.922 -10.927 6.814 805 HE1 TYS 14 HE1 TYS 14 8.609 -11.680 2.731 806 HE2 TYS 14 HE2 TYS 14 5.133 -12.510 5.122 807 H ASP 15 H ASP 15 6.260 -7.470 8.268 808 HA ASP 15 HA ASP 15 7.908 -6.245 10.432 809 HB2 ASP 15 HB2 ASP 15 7.492 -4.377 8.999 810 HB3 ASP 15 HB3 ASP 15 5.826 -4.878 8.698 811 H ASP 16 H ASP 16 6.769 -5.882 12.370 812 HA ASP 16 HA ASP 16 3.973 -6.757 12.573 813 HB2 ASP 16 HB2 ASP 16 6.264 -8.154 13.922 814 HB3 ASP 16 HB3 ASP 16 4.873 -7.828 14.936 815 H LYS 17 H LYS 17 6.109 -4.297 13.135 816 HA LYS 17 HA LYS 17 4.737 -3.365 15.646 817 HB2 LYS 17 HB2 LYS 17 6.738 -2.219 16.262 818 HB3 LYS 17 HB3 LYS 17 7.114 -3.923 15.974 819 HG2 LYS 17 HG2 LYS 17 8.071 -3.347 13.770 820 HG3 LYS 17 HG3 LYS 17 7.654 -1.637 14.011 821 HD2 LYS 17 HD2 LYS 17 9.137 -1.603 16.017 822 HD3 LYS 17 HD3 LYS 17 9.598 -3.286 15.654 823 HE2 LYS 17 HE2 LYS 17 10.377 -2.519 13.396 824 HE3 LYS 17 HE3 LYS 17 10.004 -0.850 13.855 825 HZ1 LYS 17 HZ1 LYS 17 11.950 -2.608 15.249 826 HZ2 LYS 17 HZ2 LYS 17 11.621 -1.040 15.630 827 HZ3 LYS 17 HZ3 LYS 17 12.348 -1.404 14.196 828 H ASP 18 H ASP 18 5.565 -2.486 12.376 829 HA ASP 18 HA ASP 18 4.488 0.277 12.760 830 HB2 ASP 18 HB2 ASP 18 5.935 -1.067 10.456 831 HB3 ASP 18 HB3 ASP 18 5.283 0.563 10.406 832 H THR 19 H THR 19 3.544 -2.801 11.627 833 HA THR 19 HA THR 19 1.720 -2.728 9.817 834 HB THR 19 HB THR 19 2.011 -4.769 11.139 835 HG1 THR 19 HG1 THR 19 0.337 -4.761 9.946 836 HG21 THR 19 HG21 THR 19 0.359 -3.521 13.322 837 HG22 THR 19 HG22 THR 19 2.115 -3.785 13.408 838 HG23 THR 19 HG23 THR 19 1.042 -5.173 13.242 839 H LEU 20 H LEU 20 -0.427 -2.411 9.328 840 HA LEU 20 HA LEU 20 -1.954 -0.442 10.940 841 HB2 LEU 20 HB2 LEU 20 -1.617 0.155 8.543 842 HB3 LEU 20 HB3 LEU 20 -2.220 -1.442 8.072 843 HG LEU 20 HG LEU 20 -4.436 -0.871 9.011 844 HD11 LEU 20 HD11 LEU 20 -3.203 1.883 9.452 845 HD12 LEU 20 HD12 LEU 20 -3.843 0.800 10.710 846 HD13 LEU 20 HD13 LEU 20 -4.941 1.511 9.524 847 HD21 LEU 20 HD21 LEU 20 -3.886 -0.527 6.647 848 HD22 LEU 20 HD22 LEU 20 -3.262 1.099 6.998 849 HD23 LEU 20 HD23 LEU 20 -4.993 0.744 7.216 850 H ASP 21 H ASP 21 -3.439 -1.349 12.208 851 HA ASP 21 HA ASP 21 -4.598 -4.011 11.644 852 HB2 ASP 21 HB2 ASP 21 -5.975 -3.002 13.803 853 HB3 ASP 21 HB3 ASP 21 -4.735 -4.197 13.807 854 H LEU 22 H LEU 22 -6.111 -4.103 10.261 855 HA LEU 22 HA LEU 22 -7.934 -1.883 9.523 856 HB2 LEU 22 HB2 LEU 22 -7.395 -4.715 8.677 857 HB3 LEU 22 HB3 LEU 22 -9.010 -4.073 8.371 858 HG LEU 22 HG LEU 22 -8.223 -2.447 6.859 859 HD11 LEU 22 HD11 LEU 22 -6.338 -1.456 7.889 860 HD12 LEU 22 HD12 LEU 22 -5.690 -2.233 6.436 861 HD13 LEU 22 HD13 LEU 22 -5.474 -3.007 8.011 862 HD21 LEU 22 HD21 LEU 22 -8.183 -4.818 6.089 863 HD22 LEU 22 HD22 LEU 22 -6.455 -4.904 6.522 864 HD23 LEU 22 HD23 LEU 22 -7.000 -3.812 5.234 865 H ASN 23 H ASN 23 -7.820 -4.472 11.838 866 HA ASN 23 HA ASN 23 -10.339 -3.679 13.052 867 HB2 ASN 23 HB2 ASN 23 -9.752 -6.612 12.441 868 HB3 ASN 23 HB3 ASN 23 -11.152 -5.956 13.264 869 HD21 ASN 23 HD21 ASN 23 -9.480 -5.876 10.144 870 HD22 ASN 23 HD22 ASN 23 -10.934 -5.884 9.149 871 H THR 24 H THR 24 -10.213 -4.189 15.268 872 HA THR 24 HA THR 24 -7.701 -5.328 16.389 873 HB THR 24 HB THR 24 -7.184 -3.079 15.764 874 HG1 THR 24 HG1 THR 24 -7.480 -3.524 18.501 875 HG21 THR 24 HG21 THR 24 -8.308 -1.131 16.865 876 HG22 THR 24 HG22 THR 24 -9.347 -2.011 15.735 877 HG23 THR 24 HG23 THR 24 -9.552 -2.255 17.475 878 HA PRO 25 HA PRO 25 -11.267 -5.426 19.625 879 HB2 PRO 25 HB2 PRO 25 -12.783 -7.593 19.095 880 HB3 PRO 25 HB3 PRO 25 -13.079 -6.031 18.282 881 HG2 PRO 25 HG2 PRO 25 -11.533 -8.416 17.208 882 HG3 PRO 25 HG3 PRO 25 -12.815 -7.438 16.398 883 HD2 PRO 25 HD2 PRO 25 -10.154 -6.943 15.995 884 HD3 PRO 25 HD3 PRO 25 -11.427 -5.693 15.987 885 H VAL 26 H VAL 26 -11.501 -7.003 21.333 886 HA VAL 26 HA VAL 26 -9.966 -9.507 21.291 887 HB VAL 26 HB VAL 26 -8.370 -7.645 22.026 888 HG11 VAL 26 HG11 VAL 26 -8.428 -6.892 24.323 889 HG12 VAL 26 HG12 VAL 26 -9.926 -7.787 24.640 890 HG13 VAL 26 HG13 VAL 26 -9.927 -6.405 23.528 891 HG21 VAL 26 HG21 VAL 26 -7.926 -10.021 22.435 892 HG22 VAL 26 HG22 VAL 26 -8.773 -9.918 24.000 893 HG23 VAL 26 HG23 VAL 26 -7.300 -8.981 23.720 894 H ASP 27 H ASP 27 -10.478 -10.962 22.889 895 HA ASP 27 HA ASP 27 -12.696 -10.322 24.750 896 HB2 ASP 27 HB2 ASP 27 -12.710 -12.434 22.569 897 HB3 ASP 27 HB3 ASP 27 -13.529 -12.749 24.094 898 H LYS 28 H LYS 28 -12.855 -11.705 26.475 899 HA LYS 28 HA LYS 28 -10.677 -13.635 27.078 900 HB2 LYS 28 HB2 LYS 28 -10.041 -11.207 27.799 901 HB3 LYS 28 HB3 LYS 28 -11.272 -11.397 29.050 902 HG2 LYS 28 HG2 LYS 28 -10.011 -13.611 29.634 903 HG3 LYS 28 HG3 LYS 28 -8.705 -12.972 28.640 904 HD2 LYS 28 HD2 LYS 28 -9.895 -11.700 31.147 905 HD3 LYS 28 HD3 LYS 28 -8.353 -12.548 31.013 906 HE2 LYS 28 HE2 LYS 28 -7.556 -10.790 29.411 907 HE3 LYS 28 HE3 LYS 28 -9.055 -9.890 29.699 908 HZ1 LYS 28 HZ1 LYS 28 -8.423 -9.831 32.092 909 HZ2 LYS 28 HZ2 LYS 28 -7.285 -9.097 31.175 910 HZ3 LYS 28 HZ3 LYS 28 -7.027 -10.607 31.757 911 HN1 NH2 29 HN1 NH2 29 -11.523 -15.422 28.018 912 HN2 NH2 29 HN2 NH2 29 -13.023 -15.452 28.921 Start of MODEL 6 1 H1 ASN 31 H1 ASN 31 6.822 17.675 -17.205 2 H2 ASN 31 H2 ASN 31 7.127 17.664 -18.821 3 H3 ASN 31 H3 ASN 31 8.125 18.485 -17.821 4 HA ASN 31 HA ASN 31 9.264 16.545 -18.396 5 HB2 ASN 31 HB2 ASN 31 8.101 16.346 -15.577 6 HB3 ASN 31 HB3 ASN 31 9.432 15.380 -16.149 7 HD21 ASN 31 HD21 ASN 31 10.843 16.265 -14.535 8 HD22 ASN 31 HD22 ASN 31 11.459 17.908 -14.726 9 H SER 32 H SER 32 9.340 14.076 -18.000 10 HA SER 32 HA SER 32 7.662 12.967 -19.888 11 HB2 SER 32 HB2 SER 32 9.867 12.119 -19.200 12 HB3 SER 32 HB3 SER 32 9.169 11.521 -17.682 13 HG SER 32 HG SER 32 9.112 10.461 -20.207 14 H GLY 33 H GLY 33 7.041 12.865 -16.369 15 HA2 GLY 33 HA2 GLY 33 4.538 12.951 -16.027 16 HA3 GLY 33 HA3 GLY 33 4.466 11.404 -16.857 17 H LEU 34 H LEU 34 3.430 11.765 -14.352 18 HA LEU 34 HA LEU 34 4.849 9.665 -12.818 19 HB2 LEU 34 HB2 LEU 34 3.985 12.411 -11.780 20 HB3 LEU 34 HB3 LEU 34 4.167 11.041 -10.704 21 HG LEU 34 HG LEU 34 6.420 12.243 -12.366 22 HD11 LEU 34 HD11 LEU 34 5.797 12.390 -9.388 23 HD12 LEU 34 HD12 LEU 34 5.643 13.717 -10.557 24 HD13 LEU 34 HD13 LEU 34 7.239 13.051 -10.190 25 HD21 LEU 34 HD21 LEU 34 6.416 10.043 -10.241 26 HD22 LEU 34 HD22 LEU 34 7.867 10.841 -10.876 27 HD23 LEU 34 HD23 LEU 34 6.869 9.869 -11.954 28 HA PRO 35 HA PRO 35 0.706 8.225 -12.620 29 HB2 PRO 35 HB2 PRO 35 0.586 6.667 -10.399 30 HB3 PRO 35 HB3 PRO 35 1.580 6.242 -11.831 31 HG2 PRO 35 HG2 PRO 35 2.526 7.573 -9.279 32 HG3 PRO 35 HG3 PRO 35 3.263 6.191 -10.149 33 HD2 PRO 35 HD2 PRO 35 4.135 8.767 -10.470 34 HD3 PRO 35 HD3 PRO 35 4.151 7.605 -11.822 35 H THR 36 H THR 36 -1.186 9.043 -12.058 36 HA THR 36 HA THR 36 -1.664 10.206 -9.348 37 HB THR 36 HB THR 36 -1.123 11.962 -11.006 38 HG1 THR 36 HG1 THR 36 -2.655 13.308 -10.379 39 HG21 THR 36 HG21 THR 36 -3.793 11.227 -12.281 40 HG22 THR 36 HG22 THR 36 -2.193 11.046 -13.032 41 HG23 THR 36 HG23 THR 36 -2.812 12.657 -12.652 42 H THR 37 H THR 37 -2.372 7.733 -11.202 43 HA THR 37 HA THR 37 -5.103 7.494 -10.117 44 HB THR 37 HB THR 37 -5.682 6.053 -12.104 45 HG1 THR 37 HG1 THR 37 -4.420 6.013 -13.814 46 HG21 THR 37 HG21 THR 37 -6.504 8.398 -11.800 47 HG22 THR 37 HG22 THR 37 -6.389 7.873 -13.486 48 HG23 THR 37 HG23 THR 37 -5.149 8.956 -12.808 49 H LEU 38 H LEU 38 -5.605 5.597 -9.218 50 HA LEU 38 HA LEU 38 -3.594 4.213 -7.930 51 HB2 LEU 38 HB2 LEU 38 -6.220 4.438 -7.653 52 HB3 LEU 38 HB3 LEU 38 -6.237 2.863 -8.447 53 HG LEU 38 HG LEU 38 -4.951 3.663 -5.824 54 HD11 LEU 38 HD11 LEU 38 -6.613 2.097 -4.853 55 HD12 LEU 38 HD12 LEU 38 -7.262 1.788 -6.477 56 HD13 LEU 38 HD13 LEU 38 -7.387 3.406 -5.755 57 HD21 LEU 38 HD21 LEU 38 -4.527 1.199 -5.473 58 HD22 LEU 38 HD22 LEU 38 -3.501 1.929 -6.698 59 HD23 LEU 38 HD23 LEU 38 -4.899 0.938 -7.189 60 H GLY 39 H GLY 39 -5.175 3.189 -10.973 61 HA2 GLY 39 HA2 GLY 39 -4.287 0.541 -11.170 62 HA3 GLY 39 HA3 GLY 39 -4.587 1.616 -12.543 63 H LYS 40 H LYS 40 -2.369 3.460 -11.897 64 HA LYS 40 HA LYS 40 -0.156 1.929 -13.112 65 HB2 LYS 40 HB2 LYS 40 -0.367 4.831 -12.213 66 HB3 LYS 40 HB3 LYS 40 1.048 4.104 -12.996 67 HG2 LYS 40 HG2 LYS 40 -0.512 3.458 -14.931 68 HG3 LYS 40 HG3 LYS 40 -1.713 4.535 -14.192 69 HD2 LYS 40 HD2 LYS 40 -0.064 6.423 -14.360 70 HD3 LYS 40 HD3 LYS 40 1.088 5.313 -15.129 71 HE2 LYS 40 HE2 LYS 40 -0.581 4.869 -16.932 72 HE3 LYS 40 HE3 LYS 40 -1.672 6.054 -16.212 73 HZ1 LYS 40 HZ1 LYS 40 -0.175 7.778 -16.716 74 HZ2 LYS 40 HZ2 LYS 40 -0.235 6.876 -18.077 75 HZ3 LYS 40 HZ3 LYS 40 1.079 6.760 -17.091 76 H LEU 41 H LEU 41 -1.032 3.029 -9.900 77 HA LEU 41 HA LEU 41 1.606 2.517 -8.721 78 HB2 LEU 41 HB2 LEU 41 -0.193 4.223 -7.912 79 HB3 LEU 41 HB3 LEU 41 -1.060 2.822 -7.290 80 HG LEU 41 HG LEU 41 1.232 2.244 -6.095 81 HD11 LEU 41 HD11 LEU 41 2.531 4.238 -5.515 82 HD12 LEU 41 HD12 LEU 41 1.532 5.242 -6.582 83 HD13 LEU 41 HD13 LEU 41 2.583 3.971 -7.260 84 HD21 LEU 41 HD21 LEU 41 -0.439 4.615 -5.182 85 HD22 LEU 41 HD22 LEU 41 0.611 3.587 -4.164 86 HD23 LEU 41 HD23 LEU 41 -0.823 2.896 -4.932 87 H ASP 42 H ASP 42 -1.593 0.901 -8.778 88 HA ASP 42 HA ASP 42 -1.069 -1.373 -7.199 89 HB2 ASP 42 HB2 ASP 42 -3.299 -0.839 -7.999 90 HB3 ASP 42 HB3 ASP 42 -2.800 -1.042 -9.680 91 H GLU 43 H GLU 43 -0.459 -0.930 -10.693 92 HA GLU 43 HA GLU 43 0.592 -3.451 -11.286 93 HB2 GLU 43 HB2 GLU 43 0.049 -1.694 -12.914 94 HB3 GLU 43 HB3 GLU 43 1.419 -0.726 -12.364 95 HG2 GLU 43 HG2 GLU 43 2.993 -2.451 -13.152 96 HG3 GLU 43 HG3 GLU 43 1.638 -3.511 -13.581 97 H ARG 44 H ARG 44 2.316 -0.735 -9.686 98 HA ARG 44 HA ARG 44 4.863 -2.211 -9.670 99 HB2 ARG 44 HB2 ARG 44 4.396 0.425 -9.496 100 HB3 ARG 44 HB3 ARG 44 4.323 0.072 -7.770 101 HG2 ARG 44 HG2 ARG 44 6.574 -1.115 -8.001 102 HG3 ARG 44 HG3 ARG 44 6.622 -0.590 -9.680 103 HD2 ARG 44 HD2 ARG 44 6.588 1.196 -7.225 104 HD3 ARG 44 HD3 ARG 44 7.974 0.884 -8.288 105 HE ARG 44 HE ARG 44 6.000 1.881 -9.972 106 HH11 ARG 44 HH11 ARG 44 7.871 3.200 -7.244 107 HH12 ARG 44 HH12 ARG 44 7.370 4.839 -7.667 108 HH21 ARG 44 HH21 ARG 44 5.274 3.992 -10.181 109 HH22 ARG 44 HH22 ARG 44 6.071 5.259 -9.256 110 H LEU 45 H LEU 45 2.279 -1.490 -7.304 111 HA LEU 45 HA LEU 45 3.530 -2.731 -5.056 112 HB2 LEU 45 HB2 LEU 45 0.626 -2.143 -5.717 113 HB3 LEU 45 HB3 LEU 45 1.169 -2.698 -4.141 114 HG LEU 45 HG LEU 45 2.127 -0.111 -5.450 115 HD11 LEU 45 HD11 LEU 45 0.664 0.953 -3.727 116 HD12 LEU 45 HD12 LEU 45 0.019 -0.654 -3.331 117 HD13 LEU 45 HD13 LEU 45 -0.238 0.030 -4.947 118 HD21 LEU 45 HD21 LEU 45 2.879 0.411 -3.122 119 HD22 LEU 45 HD22 LEU 45 3.788 -0.899 -3.876 120 HD23 LEU 45 HD23 LEU 45 2.536 -1.264 -2.664 121 H ARG 46 H ARG 46 1.262 -4.069 -7.414 122 HA ARG 46 HA ARG 46 0.878 -6.661 -6.220 123 HB2 ARG 46 HB2 ARG 46 -0.557 -5.368 -7.834 124 HB3 ARG 46 HB3 ARG 46 0.606 -5.717 -9.113 125 HG2 ARG 46 HG2 ARG 46 0.111 -8.117 -8.929 126 HG3 ARG 46 HG3 ARG 46 -0.960 -7.823 -7.545 127 HD2 ARG 46 HD2 ARG 46 -1.348 -6.570 -10.303 128 HD3 ARG 46 HD3 ARG 46 -2.128 -8.055 -9.806 129 HE ARG 46 HE ARG 46 -2.733 -5.292 -8.935 130 HH11 ARG 46 HH11 ARG 46 -3.630 -8.682 -8.527 131 HH12 ARG 46 HH12 ARG 46 -5.094 -8.220 -7.671 132 HH21 ARG 46 HH21 ARG 46 -4.343 -4.896 -7.524 133 HH22 ARG 46 HH22 ARG 46 -5.349 -6.217 -6.890 134 H ASN 47 H ASN 47 3.220 -5.382 -8.559 135 HA ASN 47 HA ASN 47 4.702 -7.907 -8.804 136 HB2 ASN 47 HB2 ASN 47 5.210 -5.042 -9.639 137 HB3 ASN 47 HB3 ASN 47 6.470 -6.258 -9.695 138 HD21 ASN 47 HD21 ASN 47 3.907 -4.932 -11.474 139 HD22 ASN 47 HD22 ASN 47 3.866 -6.157 -12.728 140 H TYR 48 H TYR 48 5.107 -4.998 -6.739 141 HA TYR 48 HA TYR 48 7.438 -5.744 -5.475 142 HB2 TYR 48 HB2 TYR 48 5.153 -4.009 -4.865 143 HB3 TYR 48 HB3 TYR 48 5.854 -4.635 -3.438 144 HD1 TYR 48 HD1 TYR 48 8.217 -4.080 -2.868 145 HD2 TYR 48 HD2 TYR 48 5.973 -2.048 -5.902 146 HE1 TYR 48 HE1 TYR 48 9.611 -2.031 -2.540 147 HE2 TYR 48 HE2 TYR 48 7.371 -0.011 -5.577 148 HH TYR 48 HH TYR 48 9.909 0.121 -3.064 149 H LEU 49 H LEU 49 4.239 -7.007 -4.701 150 HA LEU 49 HA LEU 49 5.155 -8.365 -2.358 151 HB2 LEU 49 HB2 LEU 49 2.693 -8.021 -3.802 152 HB3 LEU 49 HB3 LEU 49 2.948 -9.752 -3.729 153 HG LEU 49 HG LEU 49 2.879 -7.821 -1.386 154 HD11 LEU 49 HD11 LEU 49 1.000 -10.054 -2.255 155 HD12 LEU 49 HD12 LEU 49 0.704 -8.305 -2.431 156 HD13 LEU 49 HD13 LEU 49 0.807 -9.032 -0.810 157 HD21 LEU 49 HD21 LEU 49 2.886 -9.786 0.084 158 HD22 LEU 49 HD22 LEU 49 4.374 -9.591 -0.812 159 HD23 LEU 49 HD23 LEU 49 3.212 -10.833 -1.326 160 H LYS 50 H LYS 50 4.959 -9.529 -5.715 161 HA LYS 50 HA LYS 50 5.969 -12.197 -5.117 162 HB2 LYS 50 HB2 LYS 50 6.186 -10.633 -7.709 163 HB3 LYS 50 HB3 LYS 50 6.372 -12.374 -7.471 164 HG2 LYS 50 HG2 LYS 50 4.027 -12.657 -6.968 165 HG3 LYS 50 HG3 LYS 50 3.746 -10.912 -6.964 166 HD2 LYS 50 HD2 LYS 50 4.620 -12.531 -9.401 167 HD3 LYS 50 HD3 LYS 50 2.965 -12.003 -9.053 168 HE2 LYS 50 HE2 LYS 50 3.701 -9.634 -9.095 169 HE3 LYS 50 HE3 LYS 50 5.358 -10.143 -9.467 170 HZ1 LYS 50 HZ1 LYS 50 4.447 -11.155 -11.537 171 HZ2 LYS 50 HZ2 LYS 50 4.247 -9.508 -11.450 172 HZ3 LYS 50 HZ3 LYS 50 2.978 -10.512 -11.183 173 H LYS 51 H LYS 51 7.468 -9.214 -6.381 174 HA LYS 51 HA LYS 51 10.120 -10.145 -6.534 175 HB2 LYS 51 HB2 LYS 51 8.981 -8.390 -7.854 176 HB3 LYS 51 HB3 LYS 51 9.113 -7.307 -6.466 177 HG2 LYS 51 HG2 LYS 51 11.528 -7.415 -6.556 178 HG3 LYS 51 HG3 LYS 51 11.477 -8.782 -7.667 179 HD2 LYS 51 HD2 LYS 51 10.579 -7.418 -9.455 180 HD3 LYS 51 HD3 LYS 51 10.501 -6.027 -8.372 181 HE2 LYS 51 HE2 LYS 51 12.972 -6.095 -8.101 182 HE3 LYS 51 HE3 LYS 51 13.047 -7.516 -9.151 183 HZ1 LYS 51 HZ1 LYS 51 12.137 -4.805 -9.983 184 HZ2 LYS 51 HZ2 LYS 51 13.557 -5.517 -10.413 185 HZ3 LYS 51 HZ3 LYS 51 12.125 -6.121 -10.951 186 H GLY 52 H GLY 52 8.419 -8.912 -3.706 187 HA2 GLY 52 HA2 GLY 52 11.056 -8.497 -2.360 188 HA3 GLY 52 HA3 GLY 52 9.554 -7.698 -2.006 189 H THR 53 H THR 53 8.274 -10.676 -2.067 190 HA THR 53 HA THR 53 9.068 -11.353 0.710 191 HB THR 53 HB THR 53 7.082 -12.637 0.811 192 HG1 THR 53 HG1 THR 53 6.334 -11.700 -1.774 193 HG21 THR 53 HG21 THR 53 5.393 -10.954 0.652 194 HG22 THR 53 HG22 THR 53 6.438 -9.955 -0.413 195 HG23 THR 53 HG23 THR 53 6.876 -10.236 1.265 196 H LYS 54 H LYS 54 9.094 -13.704 1.316 197 HA LYS 54 HA LYS 54 10.644 -15.323 -0.548 198 HB2 LYS 54 HB2 LYS 54 9.393 -16.040 2.135 199 HB3 LYS 54 HB3 LYS 54 10.500 -17.063 1.227 200 HG2 LYS 54 HG2 LYS 54 12.323 -15.501 1.463 201 HG3 LYS 54 HG3 LYS 54 11.264 -14.250 2.119 202 HD2 LYS 54 HD2 LYS 54 10.806 -15.671 4.109 203 HD3 LYS 54 HD3 LYS 54 11.976 -16.869 3.495 204 HE2 LYS 54 HE2 LYS 54 13.755 -15.151 3.514 205 HE3 LYS 54 HE3 LYS 54 12.587 -13.923 4.033 206 HZ1 LYS 54 HZ1 LYS 54 13.345 -16.320 5.609 207 HZ2 LYS 54 HZ2 LYS 54 12.290 -15.170 6.105 208 HZ3 LYS 54 HZ3 LYS 54 13.893 -14.805 5.883 209 H ASN 55 H ASN 55 7.273 -15.341 0.651 210 HA ASN 55 HA ASN 55 6.406 -16.634 -1.817 211 HB2 ASN 55 HB2 ASN 55 4.840 -18.026 -0.227 212 HB3 ASN 55 HB3 ASN 55 6.460 -18.636 -0.598 213 HD21 ASN 55 HD21 ASN 55 4.145 -18.255 1.674 214 HD22 ASN 55 HD22 ASN 55 5.142 -18.224 3.115 215 H SER 56 H SER 56 5.370 -14.934 -2.566 216 HA SER 56 HA SER 56 3.561 -13.192 -1.223 217 HB2 SER 56 HB2 SER 56 4.681 -12.759 -3.373 218 HB3 SER 56 HB3 SER 56 3.700 -14.011 -4.152 219 HG SER 56 HG SER 56 2.212 -12.553 -4.383 220 H ALA 57 H ALA 57 3.053 -16.463 -2.446 221 HA ALA 57 HA ALA 57 0.404 -16.384 -3.178 222 HB1 ALA 57 HB1 ALA 57 0.454 -18.835 -2.886 223 HB2 ALA 57 HB2 ALA 57 1.907 -18.689 -1.873 224 HB3 ALA 57 HB3 ALA 57 1.964 -18.246 -3.596 225 H GLN 58 H GLN 58 1.398 -16.146 0.137 226 HA GLN 58 HA GLN 58 -1.102 -17.151 1.288 227 HB2 GLN 58 HB2 GLN 58 -0.070 -16.491 3.407 228 HB3 GLN 58 HB3 GLN 58 0.994 -17.514 2.448 229 HG2 GLN 58 HG2 GLN 58 2.231 -15.424 1.703 230 HG3 GLN 58 HG3 GLN 58 1.242 -14.489 2.790 231 HE21 GLN 58 HE21 GLN 58 4.314 -15.488 2.630 232 HE22 GLN 58 HE22 GLN 58 4.537 -15.993 4.287 233 H PHE 59 H PHE 59 -0.042 -14.130 -0.033 234 HA PHE 59 HA PHE 59 -1.666 -12.429 1.689 235 HB2 PHE 59 HB2 PHE 59 0.030 -11.895 -0.741 236 HB3 PHE 59 HB3 PHE 59 -0.925 -10.664 0.074 237 HD1 PHE 59 HD1 PHE 59 2.035 -12.907 0.461 238 HD2 PHE 59 HD2 PHE 59 -0.394 -9.881 2.308 239 HE1 PHE 59 HE1 PHE 59 3.752 -12.608 2.213 240 HE2 PHE 59 HE2 PHE 59 1.311 -9.594 4.088 241 HZ PHE 59 HZ PHE 59 3.391 -10.958 4.035 242 H GLU 60 H GLU 60 -3.379 -11.095 1.067 243 HA GLU 60 HA GLU 60 -5.170 -12.230 -1.068 244 HB2 GLU 60 HB2 GLU 60 -5.615 -13.399 0.976 245 HB3 GLU 60 HB3 GLU 60 -5.687 -11.899 1.912 246 HG2 GLU 60 HG2 GLU 60 -7.749 -11.241 0.901 247 HG3 GLU 60 HG3 GLU 60 -7.615 -12.480 -0.359 248 H LYS 61 H LYS 61 -4.350 -9.418 0.974 249 HA LYS 61 HA LYS 61 -5.355 -7.721 -1.169 250 HB2 LYS 61 HB2 LYS 61 -6.900 -6.403 0.065 251 HB3 LYS 61 HB3 LYS 61 -7.387 -8.079 0.239 252 HG2 LYS 61 HG2 LYS 61 -6.496 -8.160 2.520 253 HG3 LYS 61 HG3 LYS 61 -5.813 -6.533 2.358 254 HD2 LYS 61 HD2 LYS 61 -7.907 -5.497 2.241 255 HD3 LYS 61 HD3 LYS 61 -8.769 -6.999 1.901 256 HE2 LYS 61 HE2 LYS 61 -7.218 -6.544 4.478 257 HE3 LYS 61 HE3 LYS 61 -8.892 -6.022 4.284 258 HZ1 LYS 61 HZ1 LYS 61 -7.950 -8.845 4.135 259 HZ2 LYS 61 HZ2 LYS 61 -9.493 -8.337 3.800 260 HZ3 LYS 61 HZ3 LYS 61 -8.883 -8.149 5.291 261 H MET 62 H MET 62 -5.120 -5.380 -0.541 262 HA MET 62 HA MET 62 -2.878 -4.776 1.272 263 HB2 MET 62 HB2 MET 62 -1.532 -3.685 -0.381 264 HB3 MET 62 HB3 MET 62 -1.863 -5.337 -0.918 265 HG2 MET 62 HG2 MET 62 -3.591 -4.515 -2.466 266 HG3 MET 62 HG3 MET 62 -3.280 -2.852 -1.943 267 HE1 MET 62 HE1 MET 62 -3.253 -3.844 -4.986 268 HE2 MET 62 HE2 MET 62 -1.837 -2.972 -5.600 269 HE3 MET 62 HE3 MET 62 -2.969 -2.155 -4.498 270 H VAL 63 H VAL 63 -2.635 -2.557 1.778 271 HA VAL 63 HA VAL 63 -4.812 -0.707 0.989 272 HB VAL 63 HB VAL 63 -4.088 -1.312 3.891 273 HG11 VAL 63 HG11 VAL 63 -4.578 1.097 3.605 274 HG12 VAL 63 HG12 VAL 63 -5.888 0.279 4.455 275 HG13 VAL 63 HG13 VAL 63 -6.088 0.690 2.753 276 HG21 VAL 63 HG21 VAL 63 -6.561 -1.861 2.215 277 HG22 VAL 63 HG22 VAL 63 -6.589 -1.861 3.977 278 HG23 VAL 63 HG23 VAL 63 -5.578 -3.029 3.113 279 H ILE 64 H ILE 64 -4.188 1.383 0.860 280 HA ILE 64 HA ILE 64 -1.228 1.892 0.964 281 HB ILE 64 HB ILE 64 -3.319 2.809 -1.040 282 HG12 ILE 64 HG12 ILE 64 -1.077 0.915 -1.766 283 HG13 ILE 64 HG13 ILE 64 -2.558 0.257 -1.091 284 HG21 ILE 64 HG21 ILE 64 -0.284 3.137 -1.050 285 HG22 ILE 64 HG22 ILE 64 -1.486 4.433 -0.861 286 HG23 ILE 64 HG23 ILE 64 -1.354 3.578 -2.391 287 HD11 ILE 64 HD11 ILE 64 -3.907 1.262 -2.861 288 HD12 ILE 64 HD12 ILE 64 -2.647 0.200 -3.516 289 HD13 ILE 64 HD13 ILE 64 -2.451 1.960 -3.600 290 H LEU 65 H LEU 65 -0.557 3.800 1.837 291 HA LEU 65 HA LEU 65 -2.587 5.838 2.675 292 HB2 LEU 65 HB2 LEU 65 -0.114 4.863 4.168 293 HB3 LEU 65 HB3 LEU 65 -1.060 6.269 4.616 294 HG LEU 65 HG LEU 65 -1.919 3.348 4.701 295 HD11 LEU 65 HD11 LEU 65 -2.083 3.680 7.081 296 HD12 LEU 65 HD12 LEU 65 -1.824 5.431 6.926 297 HD13 LEU 65 HD13 LEU 65 -0.503 4.302 6.596 298 HD21 LEU 65 HD21 LEU 65 -3.627 5.810 5.269 299 HD22 LEU 65 HD22 LEU 65 -4.030 4.137 5.727 300 HD23 LEU 65 HD23 LEU 65 -3.913 4.574 4.024 301 H THR 66 H THR 66 -2.177 7.871 2.051 302 HA THR 66 HA THR 66 0.431 8.396 0.672 303 HB THR 66 HB THR 66 -0.792 9.692 -0.956 304 HG1 THR 66 HG1 THR 66 -2.463 10.486 0.221 305 HG21 THR 66 HG21 THR 66 -0.609 7.240 -1.357 306 HG22 THR 66 HG22 THR 66 -2.027 7.987 -2.120 307 HG23 THR 66 HG23 THR 66 -2.227 7.033 -0.635 308 H GLU 67 H GLU 67 0.797 10.756 0.155 309 HA GLU 67 HA GLU 67 0.669 12.537 2.383 310 HB2 GLU 67 HB2 GLU 67 0.433 13.381 -0.503 311 HB3 GLU 67 HB3 GLU 67 1.072 14.316 0.808 312 HG2 GLU 67 HG2 GLU 67 3.022 12.772 0.947 313 HG3 GLU 67 HG3 GLU 67 2.385 11.866 -0.428 314 H ASN 68 H ASN 68 -0.745 14.536 2.443 315 HA ASN 68 HA ASN 68 -2.818 15.497 2.665 316 HB2 ASN 68 HB2 ASN 68 -3.245 14.335 -0.108 317 HB3 ASN 68 HB3 ASN 68 -4.101 15.704 0.560 318 HD21 ASN 68 HD21 ASN 68 -1.704 15.028 -1.578 319 HD22 ASN 68 HD22 ASN 68 -0.601 16.375 -1.233 320 H LYS 69 H LYS 69 -2.525 12.916 3.769 321 HA LYS 69 HA LYS 69 -3.613 11.395 5.007 322 HB2 LYS 69 HB2 LYS 69 -5.965 13.290 4.761 323 HB3 LYS 69 HB3 LYS 69 -5.679 12.103 6.033 324 HG2 LYS 69 HG2 LYS 69 -3.489 13.306 6.544 325 HG3 LYS 69 HG3 LYS 69 -4.025 14.603 5.467 326 HD2 LYS 69 HD2 LYS 69 -5.359 13.643 8.012 327 HD3 LYS 69 HD3 LYS 69 -4.475 15.149 7.806 328 HE2 LYS 69 HE2 LYS 69 -7.058 14.433 6.343 329 HE3 LYS 69 HE3 LYS 69 -6.971 15.385 7.822 330 HZ1 LYS 69 HZ1 LYS 69 -5.561 16.992 6.600 331 HZ2 LYS 69 HZ2 LYS 69 -7.082 16.869 5.987 332 HZ3 LYS 69 HZ3 LYS 69 -5.833 16.182 5.195 333 H GLY 70 H GLY 70 -4.139 11.115 1.903 334 HA2 GLY 70 HA2 GLY 70 -6.613 9.747 1.650 335 HA3 GLY 70 HA3 GLY 70 -5.244 9.583 0.561 336 H TYR 71 H TYR 71 -7.228 7.663 1.557 337 HA TYR 71 HA TYR 71 -5.433 5.416 2.354 338 HB2 TYR 71 HB2 TYR 71 -6.580 6.169 4.367 339 HB3 TYR 71 HB3 TYR 71 -8.122 6.190 3.544 340 HD1 TYR 71 HD1 TYR 71 -8.914 3.770 2.554 341 HD2 TYR 71 HD2 TYR 71 -6.233 4.385 5.889 342 HE1 TYR 71 HE1 TYR 71 -9.604 1.605 3.510 343 HE2 TYR 71 HE2 TYR 71 -7.006 2.259 6.874 344 HH TYR 71 HH TYR 71 -8.533 0.575 6.753 345 H TYR 72 H TYR 72 -5.710 3.681 1.005 346 HA TYR 72 HA TYR 72 -8.234 3.371 -0.583 347 HB2 TYR 72 HB2 TYR 72 -5.427 3.228 -1.751 348 HB3 TYR 72 HB3 TYR 72 -6.934 2.989 -2.608 349 HD1 TYR 72 HD1 TYR 72 -4.741 5.514 -0.974 350 HD2 TYR 72 HD2 TYR 72 -8.215 4.858 -3.454 351 HE1 TYR 72 HE1 TYR 72 -4.802 7.942 -1.538 352 HE2 TYR 72 HE2 TYR 72 -8.253 7.269 -4.038 353 HH TYR 72 HH TYR 72 -7.383 9.338 -3.583 354 H THR 73 H THR 73 -8.757 1.198 -1.104 355 HA THR 73 HA THR 73 -6.925 -0.931 -0.049 356 HB THR 73 HB THR 73 -8.478 -0.552 1.686 357 HG1 THR 73 HG1 THR 73 -9.553 -2.785 0.345 358 HG21 THR 73 HG21 THR 73 -10.907 -0.903 1.471 359 HG22 THR 73 HG22 THR 73 -10.755 -0.920 -0.299 360 HG23 THR 73 HG23 THR 73 -10.358 0.548 0.623 361 H VAL 74 H VAL 74 -6.691 -2.737 -1.206 362 HA VAL 74 HA VAL 74 -8.364 -3.198 -3.637 363 HB VAL 74 HB VAL 74 -5.342 -2.782 -3.617 364 HG11 VAL 74 HG11 VAL 74 -5.592 -3.075 -6.109 365 HG12 VAL 74 HG12 VAL 74 -7.251 -3.647 -5.818 366 HG13 VAL 74 HG13 VAL 74 -5.848 -4.547 -5.187 367 HG21 VAL 74 HG21 VAL 74 -7.570 -1.179 -4.950 368 HG22 VAL 74 HG22 VAL 74 -5.832 -0.955 -5.246 369 HG23 VAL 74 HG23 VAL 74 -6.494 -0.619 -3.649 370 H TYR 75 H TYR 75 -8.529 -5.376 -4.225 371 HA TYR 75 HA TYR 75 -7.310 -7.294 -2.330 372 HB2 TYR 75 HB2 TYR 75 -9.495 -7.513 -4.406 373 HB3 TYR 75 HB3 TYR 75 -8.813 -8.912 -3.589 374 HD1 TYR 75 HD1 TYR 75 -9.000 -9.202 -1.110 375 HD2 TYR 75 HD2 TYR 75 -11.026 -6.019 -3.213 376 HE1 TYR 75 HE1 TYR 75 -10.493 -8.854 0.847 377 HE2 TYR 75 HE2 TYR 75 -12.519 -5.683 -1.249 378 HH TYR 75 HH TYR 75 -12.900 -6.206 0.943 379 H LEU 76 H LEU 76 -6.223 -9.086 -2.903 380 HA LEU 76 HA LEU 76 -4.742 -9.086 -5.503 381 HB2 LEU 76 HB2 LEU 76 -4.021 -10.253 -2.796 382 HB3 LEU 76 HB3 LEU 76 -3.009 -10.306 -4.230 383 HG LEU 76 HG LEU 76 -3.892 -7.666 -2.953 384 HD11 LEU 76 HD11 LEU 76 -1.402 -9.307 -2.491 385 HD12 LEU 76 HD12 LEU 76 -2.662 -8.938 -1.301 386 HD13 LEU 76 HD13 LEU 76 -1.660 -7.626 -1.938 387 HD21 LEU 76 HD21 LEU 76 -3.118 -7.475 -5.289 388 HD22 LEU 76 HD22 LEU 76 -1.628 -8.356 -4.877 389 HD23 LEU 76 HD23 LEU 76 -1.958 -6.755 -4.173 390 H ASN 77 H ASN 77 -7.299 -10.675 -4.016 391 HA ASN 77 HA ASN 77 -7.021 -13.371 -4.939 392 HB2 ASN 77 HB2 ASN 77 -9.426 -11.504 -4.686 393 HB3 ASN 77 HB3 ASN 77 -9.573 -13.188 -5.167 394 HD21 ASN 77 HD21 ASN 77 -10.542 -11.635 -2.734 395 HD22 ASN 77 HD22 ASN 77 -10.049 -12.734 -1.444 396 H THR 78 H THR 78 -7.759 -10.358 -6.701 397 HA THR 78 HA THR 78 -7.381 -11.702 -9.289 398 HB THR 78 HB THR 78 -9.345 -10.782 -10.280 399 HG1 THR 78 HG1 THR 78 -10.074 -9.663 -7.787 400 HG21 THR 78 HG21 THR 78 -10.303 -11.901 -7.614 401 HG22 THR 78 HG22 THR 78 -9.784 -12.879 -9.007 402 HG23 THR 78 HG23 THR 78 -11.201 -11.821 -9.139 403 HA PRO 79 HA PRO 79 -5.661 -7.536 -10.225 404 HB2 PRO 79 HB2 PRO 79 -7.159 -7.742 -12.823 405 HB3 PRO 79 HB3 PRO 79 -5.440 -7.327 -12.530 406 HG2 PRO 79 HG2 PRO 79 -6.074 -9.783 -13.471 407 HG3 PRO 79 HG3 PRO 79 -4.879 -9.628 -12.129 408 HD2 PRO 79 HD2 PRO 79 -7.835 -10.233 -11.878 409 HD3 PRO 79 HD3 PRO 79 -6.438 -11.137 -11.208 410 H LEU 80 H LEU 80 -6.522 -5.545 -9.674 411 HA LEU 80 HA LEU 80 -9.186 -5.333 -8.812 412 HB2 LEU 80 HB2 LEU 80 -8.710 -3.148 -8.189 413 HB3 LEU 80 HB3 LEU 80 -7.192 -4.017 -8.032 414 HG LEU 80 HG LEU 80 -7.928 -2.118 -10.300 415 HD11 LEU 80 HD11 LEU 80 -6.308 -0.601 -9.311 416 HD12 LEU 80 HD12 LEU 80 -5.941 -1.770 -8.030 417 HD13 LEU 80 HD13 LEU 80 -7.544 -1.008 -8.109 418 HD21 LEU 80 HD21 LEU 80 -5.386 -3.675 -9.700 419 HD22 LEU 80 HD22 LEU 80 -5.416 -2.284 -10.781 420 HD23 LEU 80 HD23 LEU 80 -6.361 -3.728 -11.181 421 H ALA 81 H ALA 81 -10.906 -3.955 -9.430 422 HA ALA 81 HA ALA 81 -11.760 -4.158 -12.116 423 HB1 ALA 81 HB1 ALA 81 -12.666 -2.294 -9.872 424 HB2 ALA 81 HB2 ALA 81 -13.267 -3.939 -10.187 425 HB3 ALA 81 HB3 ALA 81 -13.579 -2.642 -11.354 426 H GLU 82 H GLU 82 -11.948 -2.685 -13.835 427 HA GLU 82 HA GLU 82 -9.868 -0.754 -14.245 428 HB2 GLU 82 HB2 GLU 82 -12.551 -1.024 -15.637 429 HB3 GLU 82 HB3 GLU 82 -11.180 -0.110 -16.230 430 HG2 GLU 82 HG2 GLU 82 -11.226 -3.141 -15.837 431 HG3 GLU 82 HG3 GLU 82 -11.487 -2.303 -17.360 432 H ASP 83 H ASP 83 -13.083 -0.486 -12.865 433 HA ASP 83 HA ASP 83 -13.419 2.374 -12.910 434 HB2 ASP 83 HB2 ASP 83 -14.503 0.347 -10.925 435 HB3 ASP 83 HB3 ASP 83 -15.189 1.937 -11.288 436 H ARG 84 H ARG 84 -11.525 0.255 -10.932 437 HA ARG 84 HA ARG 84 -10.919 2.338 -8.855 438 HB2 ARG 84 HB2 ARG 84 -10.251 -0.641 -9.023 439 HB3 ARG 84 HB3 ARG 84 -9.761 0.448 -7.731 440 HG2 ARG 84 HG2 ARG 84 -12.117 0.862 -7.125 441 HG3 ARG 84 HG3 ARG 84 -12.655 -0.176 -8.458 442 HD2 ARG 84 HD2 ARG 84 -11.367 -2.075 -7.410 443 HD3 ARG 84 HD3 ARG 84 -11.064 -1.054 -6.009 444 HE ARG 84 HE ARG 84 -13.547 -2.407 -6.765 445 HH11 ARG 84 HH11 ARG 84 -12.225 0.007 -4.537 446 HH12 ARG 84 HH12 ARG 84 -13.762 0.081 -3.678 447 HH21 ARG 84 HH21 ARG 84 -15.481 -1.989 -5.723 448 HH22 ARG 84 HH22 ARG 84 -15.448 -1.011 -4.256 449 H LYS 85 H LYS 85 -9.495 0.587 -11.613 450 HA LYS 85 HA LYS 85 -6.784 1.466 -11.203 451 HB2 LYS 85 HB2 LYS 85 -8.328 0.840 -13.757 452 HB3 LYS 85 HB3 LYS 85 -6.615 1.259 -13.733 453 HG2 LYS 85 HG2 LYS 85 -6.196 -0.671 -12.178 454 HG3 LYS 85 HG3 LYS 85 -7.893 -1.154 -12.394 455 HD2 LYS 85 HD2 LYS 85 -7.486 -1.260 -14.863 456 HD3 LYS 85 HD3 LYS 85 -5.770 -0.934 -14.569 457 HE2 LYS 85 HE2 LYS 85 -5.577 -3.000 -13.236 458 HE3 LYS 85 HE3 LYS 85 -7.320 -3.300 -13.422 459 HZ1 LYS 85 HZ1 LYS 85 -6.039 -4.573 -15.045 460 HZ2 LYS 85 HZ2 LYS 85 -5.338 -3.227 -15.633 461 HZ3 LYS 85 HZ3 LYS 85 -6.979 -3.432 -15.806 462 H ASN 86 H ASN 86 -9.503 2.985 -12.877 463 HA ASN 86 HA ASN 86 -7.995 5.339 -13.654 464 HB2 ASN 86 HB2 ASN 86 -10.910 4.456 -13.810 465 HB3 ASN 86 HB3 ASN 86 -10.393 6.034 -14.360 466 HD21 ASN 86 HD21 ASN 86 -10.339 2.626 -15.085 467 HD22 ASN 86 HD22 ASN 86 -9.591 2.790 -16.663 468 H VAL 87 H VAL 87 -8.816 4.724 -10.484 469 HA VAL 87 HA VAL 87 -10.300 7.216 -9.988 470 HB VAL 87 HB VAL 87 -10.672 4.909 -8.888 471 HG11 VAL 87 HG11 VAL 87 -8.332 4.642 -8.091 472 HG12 VAL 87 HG12 VAL 87 -9.562 4.446 -6.833 473 HG13 VAL 87 HG13 VAL 87 -8.597 5.945 -6.921 474 HG21 VAL 87 HG21 VAL 87 -11.605 5.953 -6.910 475 HG22 VAL 87 HG22 VAL 87 -11.881 6.994 -8.311 476 HG23 VAL 87 HG23 VAL 87 -10.603 7.398 -7.135 477 H GLU 88 H GLU 88 -9.600 8.926 -8.693 478 HA GLU 88 HA GLU 88 -6.952 9.829 -9.301 479 HB2 GLU 88 HB2 GLU 88 -9.070 10.895 -7.386 480 HB3 GLU 88 HB3 GLU 88 -7.635 11.787 -7.896 481 HG2 GLU 88 HG2 GLU 88 -8.408 11.888 -10.187 482 HG3 GLU 88 HG3 GLU 88 -9.761 10.803 -9.847 483 H LEU 89 H LEU 89 -5.181 10.278 -8.037 484 HA LEU 89 HA LEU 89 -5.033 9.132 -5.284 485 HB2 LEU 89 HB2 LEU 89 -2.914 9.914 -7.318 486 HB3 LEU 89 HB3 LEU 89 -2.543 9.407 -5.681 487 HG LEU 89 HG LEU 89 -3.940 7.687 -7.778 488 HD11 LEU 89 HD11 LEU 89 -1.853 6.413 -7.812 489 HD12 LEU 89 HD12 LEU 89 -1.134 7.508 -6.606 490 HD13 LEU 89 HD13 LEU 89 -1.528 8.101 -8.229 491 HD21 LEU 89 HD21 LEU 89 -2.987 7.031 -4.948 492 HD22 LEU 89 HD22 LEU 89 -3.491 5.825 -6.150 493 HD23 LEU 89 HD23 LEU 89 -4.666 6.988 -5.541 494 H LEU 90 H LEU 90 -5.370 10.463 -3.682 495 HA LEU 90 HA LEU 90 -5.341 13.298 -3.665 496 HB2 LEU 90 HB2 LEU 90 -5.194 11.147 -1.532 497 HB3 LEU 90 HB3 LEU 90 -5.142 12.844 -1.086 498 HG LEU 90 HG LEU 90 -7.410 11.727 -2.774 499 HD11 LEU 90 HD11 LEU 90 -7.373 10.488 -0.666 500 HD12 LEU 90 HD12 LEU 90 -8.713 11.635 -0.665 501 HD13 LEU 90 HD13 LEU 90 -7.237 12.004 0.257 502 HD21 LEU 90 HD21 LEU 90 -7.161 14.207 -1.012 503 HD22 LEU 90 HD22 LEU 90 -8.609 13.703 -1.908 504 HD23 LEU 90 HD23 LEU 90 -7.162 14.194 -2.790 505 H GLY 91 H GLY 91 -2.639 11.099 -3.262 506 HA2 GLY 91 HA2 GLY 91 -0.696 13.221 -3.429 507 HA3 GLY 91 HA3 GLY 91 -0.888 12.608 -1.784 508 H LYS 92 H LYS 92 1.538 12.376 -2.646 509 HA LYS 92 HA LYS 92 2.231 10.093 -4.202 510 HB2 LYS 92 HB2 LYS 92 3.539 12.299 -3.317 511 HB3 LYS 92 HB3 LYS 92 4.090 11.180 -2.096 512 HG2 LYS 92 HG2 LYS 92 5.717 10.882 -3.673 513 HG3 LYS 92 HG3 LYS 92 4.567 9.710 -4.342 514 HD2 LYS 92 HD2 LYS 92 3.681 11.703 -5.771 515 HD3 LYS 92 HD3 LYS 92 5.088 12.595 -5.171 516 HE2 LYS 92 HE2 LYS 92 5.894 11.736 -7.183 517 HE3 LYS 92 HE3 LYS 92 6.499 10.585 -5.982 518 HZ1 LYS 92 HZ1 LYS 92 5.505 9.381 -7.814 519 HZ2 LYS 92 HZ2 LYS 92 4.556 9.169 -6.521 520 HZ3 LYS 92 HZ3 LYS 92 4.076 10.237 -7.675 521 H MET 93 H MET 93 3.479 8.212 -3.501 522 HA MET 93 HA MET 93 1.944 6.571 -1.684 523 HB2 MET 93 HB2 MET 93 2.872 5.820 -3.876 524 HB3 MET 93 HB3 MET 93 4.505 5.955 -3.227 525 HG2 MET 93 HG2 MET 93 3.899 4.205 -1.503 526 HG3 MET 93 HG3 MET 93 2.337 4.035 -2.294 527 HE1 MET 93 HE1 MET 93 5.833 1.451 -3.140 528 HE2 MET 93 HE2 MET 93 4.825 1.758 -1.710 529 HE3 MET 93 HE3 MET 93 6.064 2.941 -2.198 530 H TYR 94 H TYR 94 2.476 7.946 0.311 531 HA TYR 94 HA TYR 94 4.996 7.838 1.577 532 HB2 TYR 94 HB2 TYR 94 3.631 9.268 2.655 533 HB3 TYR 94 HB3 TYR 94 2.204 8.320 2.395 534 HD1 TYR 94 HD1 TYR 94 5.267 8.531 4.547 535 HD2 TYR 94 HD2 TYR 94 1.281 6.977 4.112 536 HE1 TYR 94 HE1 TYR 94 5.234 7.959 6.964 537 HE2 TYR 94 HE2 TYR 94 1.249 6.383 6.546 538 HH TYR 94 HH TYR 94 4.034 7.010 8.692 539 H LYS 95 H LYS 95 2.322 5.409 2.133 540 HA LYS 95 HA LYS 95 4.373 3.274 2.278 541 HB2 LYS 95 HB2 LYS 95 3.047 4.420 4.672 542 HB3 LYS 95 HB3 LYS 95 2.843 2.683 4.544 543 HG2 LYS 95 HG2 LYS 95 5.186 2.257 4.531 544 HG3 LYS 95 HG3 LYS 95 5.586 3.978 4.339 545 HD2 LYS 95 HD2 LYS 95 4.532 4.461 6.523 546 HD3 LYS 95 HD3 LYS 95 4.221 2.743 6.761 547 HE2 LYS 95 HE2 LYS 95 6.988 3.982 6.423 548 HE3 LYS 95 HE3 LYS 95 6.213 3.678 7.982 549 HZ1 LYS 95 HZ1 LYS 95 7.005 1.635 6.003 550 HZ2 LYS 95 HZ2 LYS 95 6.115 1.290 7.357 551 HZ3 LYS 95 HZ3 LYS 95 7.645 1.859 7.496 552 H THR 96 H THR 96 3.471 1.110 2.384 553 HA THR 96 HA THR 96 0.569 0.817 1.837 554 HB THR 96 HB THR 96 2.667 -0.539 0.092 555 HG1 THR 96 HG1 THR 96 2.158 1.718 -0.249 556 HG21 THR 96 HG21 THR 96 0.691 -1.260 -1.246 557 HG22 THR 96 HG22 THR 96 -0.388 -0.567 -0.025 558 HG23 THR 96 HG23 THR 96 0.638 -1.957 0.365 559 H TYR 97 H TYR 97 -0.251 -1.025 2.519 560 HA TYR 97 HA TYR 97 1.400 -2.777 4.299 561 HB2 TYR 97 HB2 TYR 97 -1.436 -1.743 4.787 562 HB3 TYR 97 HB3 TYR 97 -0.483 -2.738 5.854 563 HD1 TYR 97 HD1 TYR 97 -0.682 0.663 4.324 564 HD2 TYR 97 HD2 TYR 97 1.071 -1.783 7.406 565 HE1 TYR 97 HE1 TYR 97 0.352 2.668 5.351 566 HE2 TYR 97 HE2 TYR 97 2.005 0.228 8.487 567 HH TYR 97 HH TYR 97 2.288 2.532 8.352 568 H PHE 98 H PHE 98 1.023 -4.932 4.176 569 HA PHE 98 HA PHE 98 -1.098 -5.911 2.289 570 HB2 PHE 98 HB2 PHE 98 1.779 -6.768 2.648 571 HB3 PHE 98 HB3 PHE 98 0.612 -7.619 1.660 572 HD1 PHE 98 HD1 PHE 98 2.544 -4.427 1.954 573 HD2 PHE 98 HD2 PHE 98 0.022 -6.882 -0.523 574 HE1 PHE 98 HE1 PHE 98 3.101 -3.030 -0.025 575 HE2 PHE 98 HE2 PHE 98 0.679 -5.553 -2.519 576 HZ PHE 98 HZ PHE 98 2.227 -3.633 -2.267 577 H PHE 99 H PHE 99 -2.098 -7.794 2.663 578 HA PHE 99 HA PHE 99 -1.978 -8.795 5.474 579 HB2 PHE 99 HB2 PHE 99 -4.366 -8.151 3.713 580 HB3 PHE 99 HB3 PHE 99 -4.439 -8.782 5.349 581 HD1 PHE 99 HD1 PHE 99 -3.462 -5.812 3.300 582 HD2 PHE 99 HD2 PHE 99 -4.278 -7.311 7.260 583 HE1 PHE 99 HE1 PHE 99 -3.288 -3.516 4.200 584 HE2 PHE 99 HE2 PHE 99 -4.191 -4.992 8.136 585 HZ PHE 99 HZ PHE 99 -3.618 -3.107 6.629 586 H LYS 100 H LYS 100 -1.900 -10.946 5.760 587 HA LYS 100 HA LYS 100 -2.065 -12.835 3.542 588 HB2 LYS 100 HB2 LYS 100 -1.970 -13.303 6.512 589 HB3 LYS 100 HB3 LYS 100 -1.871 -14.568 5.263 590 HG2 LYS 100 HG2 LYS 100 0.226 -14.145 4.694 591 HG3 LYS 100 HG3 LYS 100 0.135 -12.407 4.898 592 HD2 LYS 100 HD2 LYS 100 0.239 -12.720 7.380 593 HD3 LYS 100 HD3 LYS 100 0.344 -14.480 7.129 594 HE2 LYS 100 HE2 LYS 100 2.404 -14.011 5.672 595 HE3 LYS 100 HE3 LYS 100 2.369 -12.359 6.303 596 HZ1 LYS 100 HZ1 LYS 100 2.599 -14.819 7.954 597 HZ2 LYS 100 HZ2 LYS 100 2.597 -13.292 8.547 598 HZ3 LYS 100 HZ3 LYS 100 3.837 -13.821 7.586 599 H LYS 101 H LYS 101 -3.520 -14.640 3.427 600 HA LYS 101 HA LYS 101 -6.221 -13.919 3.219 601 HB2 LYS 101 HB2 LYS 101 -6.703 -16.305 2.920 602 HB3 LYS 101 HB3 LYS 101 -5.351 -15.717 1.955 603 HG2 LYS 101 HG2 LYS 101 -3.741 -16.794 3.486 604 HG3 LYS 101 HG3 LYS 101 -5.070 -17.317 4.522 605 HD2 LYS 101 HD2 LYS 101 -4.313 -19.172 3.161 606 HD3 LYS 101 HD3 LYS 101 -5.966 -18.734 2.712 607 HE2 LYS 101 HE2 LYS 101 -5.112 -17.516 0.726 608 HE3 LYS 101 HE3 LYS 101 -3.446 -17.899 1.197 609 HZ1 LYS 101 HZ1 LYS 101 -5.495 -19.956 0.532 610 HZ2 LYS 101 HZ2 LYS 101 -3.918 -20.247 0.855 611 HZ3 LYS 101 HZ3 LYS 101 -4.332 -19.452 -0.498 612 H GLY 102 H GLY 102 -7.857 -13.610 4.489 613 HA2 GLY 102 HA2 GLY 102 -9.274 -13.718 6.312 614 HA3 GLY 102 HA3 GLY 102 -8.348 -15.081 6.927 615 H GLU 103 H GLU 103 -6.064 -12.640 6.684 616 HA GLU 103 HA GLU 103 -6.324 -11.981 9.559 617 HB2 GLU 103 HB2 GLU 103 -4.155 -11.316 7.523 618 HB3 GLU 103 HB3 GLU 103 -4.124 -10.902 9.240 619 HG2 GLU 103 HG2 GLU 103 -4.493 -13.407 9.701 620 HG3 GLU 103 HG3 GLU 103 -4.073 -13.679 8.005 621 H SER 104 H SER 104 -5.954 -9.769 10.313 622 HA SER 104 HA SER 104 -7.124 -7.617 8.603 623 HB2 SER 104 HB2 SER 104 -8.347 -6.913 10.787 624 HB3 SER 104 HB3 SER 104 -9.025 -8.163 9.750 625 HG SER 104 HG SER 104 -8.762 -9.591 11.210 626 H LYS 105 H LYS 105 -4.470 -8.408 10.474 627 HA LYS 105 HA LYS 105 -3.733 -5.508 10.412 628 HB2 LYS 105 HB2 LYS 105 -4.049 -6.239 12.734 629 HB3 LYS 105 HB3 LYS 105 -2.845 -7.520 12.503 630 HG2 LYS 105 HG2 LYS 105 -1.098 -5.961 12.268 631 HG3 LYS 105 HG3 LYS 105 -2.149 -4.586 12.076 632 HD2 LYS 105 HD2 LYS 105 -1.329 -4.440 14.319 633 HD3 LYS 105 HD3 LYS 105 -2.988 -4.990 14.455 634 HE2 LYS 105 HE2 LYS 105 -2.228 -7.315 14.695 635 HE3 LYS 105 HE3 LYS 105 -0.542 -6.798 14.488 636 HZ1 LYS 105 HZ1 LYS 105 -1.118 -7.084 16.820 637 HZ2 LYS 105 HZ2 LYS 105 -2.327 -5.985 16.721 638 HZ3 LYS 105 HZ3 LYS 105 -0.763 -5.501 16.555 639 H SER 106 H SER 106 -1.911 -5.039 9.326 640 HA SER 106 HA SER 106 -1.148 -6.954 7.363 641 HB2 SER 106 HB2 SER 106 0.230 -5.297 6.405 642 HB3 SER 106 HB3 SER 106 -1.162 -4.461 7.100 643 HG SER 106 HG SER 106 1.507 -4.286 7.704 644 H SER 107 H SER 107 0.833 -7.880 6.809 645 HA SER 107 HA SER 107 2.788 -8.325 9.063 646 HB2 SER 107 HB2 SER 107 1.244 -10.250 8.532 647 HB3 SER 107 HB3 SER 107 1.905 -10.270 6.889 648 HG SER 107 HG SER 107 3.224 -10.750 9.354 649 H TYR 108 H TYR 108 2.460 -7.225 5.888 650 HA TYR 108 HA TYR 108 5.395 -7.067 5.495 651 HB2 TYR 108 HB2 TYR 108 4.674 -9.001 4.232 652 HB3 TYR 108 HB3 TYR 108 3.315 -8.132 3.556 653 HD1 TYR 108 HD1 TYR 108 7.052 -8.031 3.663 654 HD2 TYR 108 HD2 TYR 108 3.514 -7.373 1.331 655 HE1 TYR 108 HE1 TYR 108 8.473 -7.591 1.640 656 HE2 TYR 108 HE2 TYR 108 4.907 -6.993 -0.678 657 HH TYR 108 HH TYR 108 7.046 -7.093 -1.594 658 H VAL 109 H VAL 109 5.970 -5.037 4.974 659 HA VAL 109 HA VAL 109 3.980 -3.233 3.717 660 HB VAL 109 HB VAL 109 4.360 -1.460 5.120 661 HG11 VAL 109 HG11 VAL 109 2.781 -3.102 6.022 662 HG12 VAL 109 HG12 VAL 109 3.529 -2.055 7.250 663 HG13 VAL 109 HG13 VAL 109 4.113 -3.731 7.052 664 HG21 VAL 109 HG21 VAL 109 6.697 -2.737 6.054 665 HG22 VAL 109 HG22 VAL 109 5.829 -1.759 7.256 666 HG23 VAL 109 HG23 VAL 109 6.366 -1.027 5.723 667 H ILE 110 H ILE 110 4.834 -1.262 2.942 668 HA ILE 110 HA ILE 110 7.642 -1.385 1.953 669 HB ILE 110 HB ILE 110 5.239 -1.202 0.153 670 HG12 ILE 110 HG12 ILE 110 6.752 -3.721 0.918 671 HG13 ILE 110 HG13 ILE 110 5.026 -3.425 1.017 672 HG21 ILE 110 HG21 ILE 110 8.132 -1.865 -0.522 673 HG22 ILE 110 HG22 ILE 110 7.386 -0.256 -0.712 674 HG23 ILE 110 HG23 ILE 110 6.793 -1.592 -1.666 675 HD11 ILE 110 HD11 ILE 110 5.185 -4.830 -0.762 676 HD12 ILE 110 HD12 ILE 110 6.706 -4.149 -1.324 677 HD13 ILE 110 HD13 ILE 110 5.158 -3.268 -1.589 678 H ASN 111 H ASN 111 8.439 0.569 1.393 679 HA ASN 111 HA ASN 111 6.856 2.968 2.202 680 HB2 ASN 111 HB2 ASN 111 9.848 2.383 2.122 681 HB3 ASN 111 HB3 ASN 111 9.126 3.842 2.746 682 HD21 ASN 111 HD21 ASN 111 10.830 2.594 4.326 683 HD22 ASN 111 HD22 ASN 111 10.044 1.680 5.599 684 H GLY 112 H GLY 112 6.968 4.880 0.973 685 HA2 GLY 112 HA2 GLY 112 8.667 4.932 -1.470 686 HA3 GLY 112 HA3 GLY 112 6.919 5.064 -1.672 687 HA PRO 113 HA PRO 113 8.756 9.278 -0.927 688 HB2 PRO 113 HB2 PRO 113 7.843 10.561 -3.147 689 HB3 PRO 113 HB3 PRO 113 9.328 9.573 -3.127 690 HG2 PRO 113 HG2 PRO 113 6.566 8.679 -4.020 691 HG3 PRO 113 HG3 PRO 113 8.104 8.526 -4.904 692 HD2 PRO 113 HD2 PRO 113 7.050 6.512 -3.384 693 HD3 PRO 113 HD3 PRO 113 8.819 6.771 -3.459 694 H GLY 114 H GLY 114 7.635 10.481 0.415 695 HA2 GLY 114 HA2 GLY 114 5.300 11.831 0.171 696 HA3 GLY 114 HA3 GLY 114 4.730 10.278 0.786 697 H LYS 115 H LYS 115 6.965 9.749 2.519 698 HA LYS 115 HA LYS 115 7.492 9.818 4.681 699 HB2 LYS 115 HB2 LYS 115 8.274 12.472 3.567 700 HB3 LYS 115 HB3 LYS 115 8.392 12.291 5.313 701 HG2 LYS 115 HG2 LYS 115 9.786 10.285 5.080 702 HG3 LYS 115 HG3 LYS 115 9.582 10.326 3.341 703 HD2 LYS 115 HD2 LYS 115 11.777 11.169 3.901 704 HD3 LYS 115 HD3 LYS 115 10.805 12.454 3.193 705 HE2 LYS 115 HE2 LYS 115 12.133 13.306 5.041 706 HE3 LYS 115 HE3 LYS 115 10.412 13.432 5.423 707 HZ1 LYS 115 HZ1 LYS 115 12.091 11.168 6.362 708 HZ2 LYS 115 HZ2 LYS 115 11.891 12.530 7.248 709 HZ3 LYS 115 HZ3 LYS 115 10.604 11.570 6.888 710 H THR 116 H THR 116 4.718 11.813 4.179 711 HA THR 116 HA THR 116 3.888 11.415 6.965 712 HB THR 116 HB THR 116 5.268 13.380 7.213 713 HG1 THR 116 HG1 THR 116 3.806 14.691 8.057 714 HG21 THR 116 HG21 THR 116 5.273 14.241 4.853 715 HG22 THR 116 HG22 THR 116 4.913 15.479 6.052 716 HG23 THR 116 HG23 THR 116 3.599 14.790 5.089 717 H ASN 117 H ASN 117 1.648 11.619 7.219 718 HA ASN 117 HA ASN 117 0.013 11.790 4.774 719 HB2 ASN 117 HB2 ASN 117 -0.686 11.468 7.732 720 HB3 ASN 117 HB3 ASN 117 -1.826 11.370 6.401 721 HD21 ASN 117 HD21 ASN 117 -0.573 9.726 4.512 722 HD22 ASN 117 HD22 ASN 117 -0.081 8.238 5.306 723 H GLU 118 H GLU 118 1.240 14.003 7.120 724 HA GLU 118 HA GLU 118 -0.994 15.769 7.366 725 HB2 GLU 118 HB2 GLU 118 1.919 16.179 8.130 726 HB3 GLU 118 HB3 GLU 118 0.552 17.172 8.641 727 HG2 GLU 118 HG2 GLU 118 -0.452 15.218 9.787 728 HG3 GLU 118 HG3 GLU 118 0.935 14.228 9.318 729 H TYR 119 H TYR 119 -1.082 15.838 4.830 730 HA TYR 119 HA TYR 119 -1.223 17.202 3.022 731 HB2 TYR 119 HB2 TYR 119 -2.841 17.890 4.723 732 HB3 TYR 119 HB3 TYR 119 -1.721 19.094 5.332 733 HD1 TYR 119 HD1 TYR 119 -3.596 18.126 2.194 734 HD2 TYR 119 HD2 TYR 119 -1.941 21.296 4.597 735 HE1 TYR 119 HE1 TYR 119 -4.668 19.815 0.704 736 HE2 TYR 119 HE2 TYR 119 -3.060 22.978 3.157 737 HH TYR 119 HH TYR 119 -5.059 22.052 0.326 738 H ALA 120 H ALA 120 1.389 16.853 3.314 739 HA ALA 120 HA ALA 120 3.513 17.705 3.098 740 HB1 ALA 120 HB1 ALA 120 2.517 17.149 0.913 741 HB2 ALA 120 HB2 ALA 120 3.767 18.401 0.778 742 HB3 ALA 120 HB3 ALA 120 2.050 18.855 0.698 743 H TYR 121 H TYR 121 2.502 19.453 4.995 744 HA TYR 121 HA TYR 121 3.948 21.986 4.315 745 HB2 TYR 121 HB2 TYR 121 1.410 22.167 4.222 746 HB3 TYR 121 HB3 TYR 121 1.387 21.878 5.948 747 HD1 TYR 121 HD1 TYR 121 2.478 23.571 7.517 748 HD2 TYR 121 HD2 TYR 121 1.983 24.276 3.291 749 HE1 TYR 121 HE1 TYR 121 2.930 25.999 7.868 750 HE2 TYR 121 HE2 TYR 121 2.416 26.704 3.648 751 HH TYR 121 HH TYR 121 3.214 28.052 6.863 752 H1 ACE 6 H1 ACE 6 18.679 -1.184 -15.382 753 H2 ACE 6 H2 ACE 6 19.853 0.147 -15.353 754 H3 ACE 6 H3 ACE 6 20.418 -1.542 -15.385 755 H THR 7 H THR 7 17.839 -0.018 -13.490 756 HA THR 7 HA THR 7 19.056 -1.021 -10.954 757 HB THR 7 HB THR 7 19.722 1.367 -11.402 758 HG1 THR 7 HG1 THR 7 19.419 1.891 -9.343 759 HG21 THR 7 HG21 THR 7 16.816 2.009 -10.708 760 HG22 THR 7 HG22 THR 7 17.499 2.155 -12.341 761 HG23 THR 7 HG23 THR 7 18.134 3.146 -11.022 762 H THR 8 H THR 8 17.457 -0.717 -9.062 763 HA THR 8 HA THR 8 14.636 -0.793 -9.836 764 HB THR 8 HB THR 8 15.866 -3.130 -10.154 765 HG1 THR 8 HG1 THR 8 13.878 -2.864 -10.759 766 HG21 THR 8 HG21 THR 8 15.442 -4.706 -8.422 767 HG22 THR 8 HG22 THR 8 16.471 -3.428 -7.754 768 HG23 THR 8 HG23 THR 8 14.730 -3.461 -7.379 769 HA PRO 9 HA PRO 9 13.704 0.607 -5.699 770 HB2 PRO 9 HB2 PRO 9 11.547 -1.482 -5.964 771 HB3 PRO 9 HB3 PRO 9 11.418 0.165 -5.249 772 HG2 PRO 9 HG2 PRO 9 10.584 -0.234 -7.762 773 HG3 PRO 9 HG3 PRO 9 11.638 1.179 -7.414 774 HD2 PRO 9 HD2 PRO 9 12.386 -1.482 -8.609 775 HD3 PRO 9 HD3 PRO 9 12.920 0.154 -9.065 776 H ASP 10 H ASP 10 12.845 -0.186 -3.514 777 HA ASP 10 HA ASP 10 14.811 -1.768 -2.268 778 HB2 ASP 10 HB2 ASP 10 13.648 -1.268 -0.196 779 HB3 ASP 10 HB3 ASP 10 13.604 0.189 -1.191 780 HN2 TYS 11 HN2 TYS 11 11.677 -2.507 -3.052 781 HA TYS 11 HA TYS 11 10.292 -4.319 -3.007 782 HB2 TYS 11 HB2 TYS 11 12.819 -5.788 -3.737 783 HB3 TYS 11 HB3 TYS 11 11.257 -6.581 -3.555 784 HD1 TYS 11 HD1 TYS 11 9.212 -5.515 -4.592 785 HD2 TYS 11 HD2 TYS 11 13.205 -4.650 -5.907 786 HE1 TYS 11 HE1 TYS 11 8.323 -4.209 -6.399 787 HE2 TYS 11 HE2 TYS 11 12.279 -3.464 -7.847 788 H GLY 12 H GLY 12 9.995 -3.518 -1.204 789 HA2 GLY 12 HA2 GLY 12 8.928 -3.625 0.728 790 HA3 GLY 12 HA3 GLY 12 8.587 -5.254 0.227 791 H HIS 13 H HIS 13 8.443 -4.687 2.986 792 HA HIS 13 HA HIS 13 10.416 -6.711 3.846 793 HB2 HIS 13 HB2 HIS 13 11.018 -5.435 5.860 794 HB3 HIS 13 HB3 HIS 13 11.689 -4.754 4.385 795 HD1 HIS 13 HD1 HIS 13 10.602 -2.484 3.439 796 HD2 HIS 13 HD2 HIS 13 8.969 -3.848 7.118 797 HE1 HIS 13 HE1 HIS 13 8.923 -0.696 4.298 798 HE2 HIS 13 HE2 HIS 13 8.362 -1.386 6.725 799 HN2 TYS 14 HN2 TYS 14 9.971 -7.536 5.993 800 HA TYS 14 HA TYS 14 7.053 -7.491 6.611 801 HB2 TYS 14 HB2 TYS 14 9.238 -9.550 7.050 802 HB3 TYS 14 HB3 TYS 14 7.713 -9.637 7.873 803 HD1 TYS 14 HD1 TYS 14 9.085 -9.557 4.290 804 HD2 TYS 14 HD2 TYS 14 5.814 -10.683 6.922 805 HE1 TYS 14 HE1 TYS 14 8.338 -11.156 2.708 806 HE2 TYS 14 HE2 TYS 14 5.016 -12.210 5.232 807 H ASP 15 H ASP 15 6.207 -7.021 8.377 808 HA ASP 15 HA ASP 15 7.899 -5.732 10.464 809 HB2 ASP 15 HB2 ASP 15 5.225 -4.902 9.237 810 HB3 ASP 15 HB3 ASP 15 6.221 -3.945 10.364 811 H ASP 16 H ASP 16 7.061 -5.291 12.446 812 HA ASP 16 HA ASP 16 4.876 -7.110 13.472 813 HB2 ASP 16 HB2 ASP 16 7.657 -6.712 14.643 814 HB3 ASP 16 HB3 ASP 16 6.357 -7.583 15.429 815 H LYS 17 H LYS 17 6.348 -3.981 13.633 816 HA LYS 17 HA LYS 17 4.366 -3.093 15.675 817 HB2 LYS 17 HB2 LYS 17 6.087 -1.795 16.823 818 HB3 LYS 17 HB3 LYS 17 6.274 -3.525 17.009 819 HG2 LYS 17 HG2 LYS 17 7.927 -1.940 15.007 820 HG3 LYS 17 HG3 LYS 17 8.363 -2.053 16.710 821 HD2 LYS 17 HD2 LYS 17 8.437 -4.555 16.524 822 HD3 LYS 17 HD3 LYS 17 8.160 -4.397 14.781 823 HE2 LYS 17 HE2 LYS 17 10.193 -2.881 14.689 824 HE3 LYS 17 HE3 LYS 17 10.526 -3.352 16.363 825 HZ1 LYS 17 HZ1 LYS 17 11.741 -4.777 14.915 826 HZ2 LYS 17 HZ2 LYS 17 10.524 -5.708 15.527 827 HZ3 LYS 17 HZ3 LYS 17 10.431 -5.144 13.988 828 H ASP 18 H ASP 18 5.093 -2.754 12.705 829 HA ASP 18 HA ASP 18 4.290 0.107 12.523 830 HB2 ASP 18 HB2 ASP 18 6.408 -1.259 10.807 831 HB3 ASP 18 HB3 ASP 18 5.783 0.375 10.597 832 H THR 19 H THR 19 2.306 -1.483 12.566 833 HA THR 19 HA THR 19 1.622 -2.360 9.779 834 HB THR 19 HB THR 19 1.814 -4.402 11.062 835 HG1 THR 19 HG1 THR 19 0.186 -4.493 9.839 836 HG21 THR 19 HG21 THR 19 0.134 -3.156 13.217 837 HG22 THR 19 HG22 THR 19 1.869 -3.523 13.337 838 HG23 THR 19 HG23 THR 19 0.736 -4.843 13.127 839 H LEU 20 H LEU 20 -0.673 -2.335 9.239 840 HA LEU 20 HA LEU 20 -2.272 -0.255 10.636 841 HB2 LEU 20 HB2 LEU 20 -1.819 0.240 8.243 842 HB3 LEU 20 HB3 LEU 20 -2.363 -1.391 7.809 843 HG LEU 20 HG LEU 20 -4.634 -0.818 8.595 844 HD11 LEU 20 HD11 LEU 20 -5.223 1.574 8.921 845 HD12 LEU 20 HD12 LEU 20 -3.495 1.991 8.908 846 HD13 LEU 20 HD13 LEU 20 -4.166 0.973 10.202 847 HD21 LEU 20 HD21 LEU 20 -3.951 -0.597 6.232 848 HD22 LEU 20 HD22 LEU 20 -3.405 1.067 6.527 849 HD23 LEU 20 HD23 LEU 20 -5.130 0.655 6.663 850 H ASP 21 H ASP 21 -3.612 -1.240 12.031 851 HA ASP 21 HA ASP 21 -4.836 -3.873 11.424 852 HB2 ASP 21 HB2 ASP 21 -6.302 -3.258 13.454 853 HB3 ASP 21 HB3 ASP 21 -4.781 -4.009 13.633 854 H LEU 22 H LEU 22 -6.270 -3.915 10.032 855 HA LEU 22 HA LEU 22 -8.167 -1.751 9.315 856 HB2 LEU 22 HB2 LEU 22 -7.572 -4.587 8.504 857 HB3 LEU 22 HB3 LEU 22 -9.202 -3.990 8.215 858 HG LEU 22 HG LEU 22 -8.476 -2.396 6.638 859 HD11 LEU 22 HD11 LEU 22 -5.658 -2.880 7.678 860 HD12 LEU 22 HD12 LEU 22 -6.576 -1.354 7.630 861 HD13 LEU 22 HD13 LEU 22 -6.000 -2.087 6.128 862 HD21 LEU 22 HD21 LEU 22 -8.379 -4.814 5.989 863 HD22 LEU 22 HD22 LEU 22 -6.629 -4.800 6.345 864 HD23 LEU 22 HD23 LEU 22 -7.288 -3.793 5.035 865 H ASN 23 H ASN 23 -7.901 -4.451 11.509 866 HA ASN 23 HA ASN 23 -10.072 -3.592 13.163 867 HB2 ASN 23 HB2 ASN 23 -10.137 -6.521 12.314 868 HB3 ASN 23 HB3 ASN 23 -11.318 -5.619 13.236 869 HD21 ASN 23 HD21 ASN 23 -9.836 -5.802 10.080 870 HD22 ASN 23 HD22 ASN 23 -11.302 -5.439 9.138 871 H THR 24 H THR 24 -9.778 -4.630 15.223 872 HA THR 24 HA THR 24 -7.097 -5.879 15.655 873 HB THR 24 HB THR 24 -6.925 -3.542 15.888 874 HG1 THR 24 HG1 THR 24 -6.926 -3.779 18.526 875 HG21 THR 24 HG21 THR 24 -9.251 -3.674 17.815 876 HG22 THR 24 HG22 THR 24 -8.170 -2.268 17.646 877 HG23 THR 24 HG23 THR 24 -9.144 -2.788 16.274 878 HA PRO 25 HA PRO 25 -9.701 -7.756 19.151 879 HB2 PRO 25 HB2 PRO 25 -12.056 -8.901 18.488 880 HB3 PRO 25 HB3 PRO 25 -11.945 -7.159 18.873 881 HG2 PRO 25 HG2 PRO 25 -12.052 -8.451 16.152 882 HG3 PRO 25 HG3 PRO 25 -12.941 -7.016 16.747 883 HD2 PRO 25 HD2 PRO 25 -10.596 -6.921 15.282 884 HD3 PRO 25 HD3 PRO 25 -11.123 -5.639 16.415 885 H VAL 26 H VAL 26 -9.892 -10.047 19.602 886 HA VAL 26 HA VAL 26 -9.454 -11.924 17.356 887 HB VAL 26 HB VAL 26 -7.199 -11.237 18.007 888 HG11 VAL 26 HG11 VAL 26 -7.530 -10.777 20.413 889 HG12 VAL 26 HG12 VAL 26 -6.176 -11.871 20.110 890 HG13 VAL 26 HG13 VAL 26 -7.711 -12.519 20.714 891 HG21 VAL 26 HG21 VAL 26 -7.566 -13.480 17.091 892 HG22 VAL 26 HG22 VAL 26 -7.781 -14.132 18.736 893 HG23 VAL 26 HG23 VAL 26 -6.226 -13.451 18.232 894 H ASP 27 H ASP 27 -10.436 -13.784 17.575 895 HA ASP 27 HA ASP 27 -11.471 -14.719 20.219 896 HB2 ASP 27 HB2 ASP 27 -13.130 -14.027 17.771 897 HB3 ASP 27 HB3 ASP 27 -13.715 -15.081 19.044 898 H LYS 28 H LYS 28 -9.724 -15.567 17.576 899 HA LYS 28 HA LYS 28 -9.066 -17.504 16.599 900 HB2 LYS 28 HB2 LYS 28 -8.578 -17.949 19.037 901 HB3 LYS 28 HB3 LYS 28 -10.070 -18.885 19.099 902 HG2 LYS 28 HG2 LYS 28 -9.048 -20.276 17.127 903 HG3 LYS 28 HG3 LYS 28 -7.547 -19.415 17.477 904 HD2 LYS 28 HD2 LYS 28 -7.386 -21.454 18.672 905 HD3 LYS 28 HD3 LYS 28 -7.793 -20.246 19.903 906 HE2 LYS 28 HE2 LYS 28 -10.238 -20.930 19.638 907 HE3 LYS 28 HE3 LYS 28 -9.705 -22.186 18.517 908 HZ1 LYS 28 HZ1 LYS 28 -9.945 -23.135 20.684 909 HZ2 LYS 28 HZ2 LYS 28 -9.022 -21.973 21.386 910 HZ3 LYS 28 HZ3 LYS 28 -8.327 -23.077 20.377 911 HN1 NH2 29 HN1 NH2 29 -10.781 -17.106 14.973 912 HN2 NH2 29 HN2 NH2 29 -12.088 -18.254 14.851 Start of MODEL 7 1 H1 ASN 31 H1 ASN 31 0.407 12.298 -10.525 2 H2 ASN 31 H2 ASN 31 1.925 12.319 -11.102 3 H3 ASN 31 H3 ASN 31 1.575 11.317 -9.844 4 HA ASN 31 HA ASN 31 1.490 14.240 -9.819 5 HB2 ASN 31 HB2 ASN 31 1.372 13.891 -7.252 6 HB3 ASN 31 HB3 ASN 31 -0.066 13.847 -8.234 7 HD21 ASN 31 HD21 ASN 31 -0.878 12.815 -6.153 8 HD22 ASN 31 HD22 ASN 31 -0.783 11.070 -6.112 9 H SER 32 H SER 32 3.356 14.848 -10.359 10 HA SER 32 HA SER 32 5.639 15.070 -10.480 11 HB2 SER 32 HB2 SER 32 4.978 15.706 -7.597 12 HB3 SER 32 HB3 SER 32 6.336 16.357 -8.535 13 HG SER 32 HG SER 32 4.643 17.793 -8.559 14 H GLY 33 H GLY 33 5.651 12.391 -10.452 15 HA2 GLY 33 HA2 GLY 33 8.187 11.625 -10.056 16 HA3 GLY 33 HA3 GLY 33 7.591 11.458 -8.400 17 H LEU 34 H LEU 34 4.871 10.616 -9.370 18 HA LEU 34 HA LEU 34 5.392 7.934 -10.525 19 HB2 LEU 34 HB2 LEU 34 3.952 8.480 -7.898 20 HB3 LEU 34 HB3 LEU 34 3.964 6.932 -8.734 21 HG LEU 34 HG LEU 34 6.459 8.270 -7.599 22 HD11 LEU 34 HD11 LEU 34 4.764 5.992 -6.509 23 HD12 LEU 34 HD12 LEU 34 4.898 7.625 -5.826 24 HD13 LEU 34 HD13 LEU 34 6.312 6.556 -5.843 25 HD21 LEU 34 HD21 LEU 34 5.975 5.456 -8.692 26 HD22 LEU 34 HD22 LEU 34 7.462 6.020 -7.897 27 HD23 LEU 34 HD23 LEU 34 6.978 6.708 -9.442 28 HA PRO 35 HA PRO 35 1.644 8.853 -12.799 29 HB2 PRO 35 HB2 PRO 35 0.954 5.957 -12.331 30 HB3 PRO 35 HB3 PRO 35 0.883 6.881 -13.841 31 HG2 PRO 35 HG2 PRO 35 2.962 5.217 -13.384 32 HG3 PRO 35 HG3 PRO 35 3.228 6.820 -14.136 33 HD2 PRO 35 HD2 PRO 35 3.743 5.986 -11.287 34 HD3 PRO 35 HD3 PRO 35 4.677 7.069 -12.355 35 H THR 36 H THR 36 -0.363 9.566 -12.309 36 HA THR 36 HA THR 36 -1.239 9.558 -9.569 37 HB THR 36 HB THR 36 -1.472 11.476 -10.777 38 HG1 THR 36 HG1 THR 36 -4.138 10.957 -10.973 39 HG21 THR 36 HG21 THR 36 -3.021 11.779 -12.736 40 HG22 THR 36 HG22 THR 36 -3.182 10.008 -12.826 41 HG23 THR 36 HG23 THR 36 -1.621 10.794 -13.115 42 H THR 37 H THR 37 -2.055 7.165 -11.987 43 HA THR 37 HA THR 37 -4.699 6.791 -10.666 44 HB THR 37 HB THR 37 -5.154 5.114 -12.378 45 HG1 THR 37 HG1 THR 37 -2.738 6.032 -13.535 46 HG21 THR 37 HG21 THR 37 -5.843 7.441 -12.711 47 HG22 THR 37 HG22 THR 37 -5.367 6.706 -14.250 48 HG23 THR 37 HG23 THR 37 -4.275 7.837 -13.435 49 H LEU 38 H LEU 38 -5.340 5.186 -9.443 50 HA LEU 38 HA LEU 38 -3.620 3.540 -7.973 51 HB2 LEU 38 HB2 LEU 38 -6.161 4.288 -7.803 52 HB3 LEU 38 HB3 LEU 38 -6.469 2.689 -8.482 53 HG LEU 38 HG LEU 38 -5.116 3.482 -5.911 54 HD11 LEU 38 HD11 LEU 38 -6.979 2.265 -4.831 55 HD12 LEU 38 HD12 LEU 38 -7.667 1.916 -6.429 56 HD13 LEU 38 HD13 LEU 38 -7.544 3.592 -5.842 57 HD21 LEU 38 HD21 LEU 38 -3.923 1.472 -6.597 58 HD22 LEU 38 HD22 LEU 38 -5.452 0.662 -7.022 59 HD23 LEU 38 HD23 LEU 38 -5.060 1.021 -5.329 60 H GLY 39 H GLY 39 -5.384 2.739 -10.995 61 HA2 GLY 39 HA2 GLY 39 -4.880 0.046 -11.279 62 HA3 GLY 39 HA3 GLY 39 -4.868 1.173 -12.631 63 H LYS 40 H LYS 40 -2.586 2.649 -12.329 64 HA LYS 40 HA LYS 40 -0.449 0.797 -12.973 65 HB2 LYS 40 HB2 LYS 40 -0.518 3.813 -12.537 66 HB3 LYS 40 HB3 LYS 40 0.897 2.941 -13.111 67 HG2 LYS 40 HG2 LYS 40 -1.788 3.135 -14.539 68 HG3 LYS 40 HG3 LYS 40 -0.311 3.982 -14.960 69 HD2 LYS 40 HD2 LYS 40 0.786 1.761 -15.416 70 HD3 LYS 40 HD3 LYS 40 -0.775 0.968 -15.097 71 HE2 LYS 40 HE2 LYS 40 -1.807 2.350 -16.916 72 HE3 LYS 40 HE3 LYS 40 -0.198 2.991 -17.291 73 HZ1 LYS 40 HZ1 LYS 40 -0.714 1.147 -18.730 74 HZ2 LYS 40 HZ2 LYS 40 -1.040 0.140 -17.479 75 HZ3 LYS 40 HZ3 LYS 40 0.490 0.644 -17.741 76 H LEU 41 H LEU 41 -1.232 2.600 -10.003 77 HA LEU 41 HA LEU 41 1.182 1.879 -8.629 78 HB2 LEU 41 HB2 LEU 41 -0.240 3.605 -7.734 79 HB3 LEU 41 HB3 LEU 41 -1.604 2.493 -7.608 80 HG LEU 41 HG LEU 41 -0.442 1.198 -5.871 81 HD11 LEU 41 HD11 LEU 41 1.956 1.737 -6.498 82 HD12 LEU 41 HD12 LEU 41 1.565 1.963 -4.795 83 HD13 LEU 41 HD13 LEU 41 1.678 3.380 -5.846 84 HD21 LEU 41 HD21 LEU 41 -0.514 4.174 -5.295 85 HD22 LEU 41 HD22 LEU 41 -0.532 2.853 -4.099 86 HD23 LEU 41 HD23 LEU 41 -1.893 3.053 -5.235 87 H ASP 42 H ASP 42 -1.926 0.097 -8.947 88 HA ASP 42 HA ASP 42 -1.175 -2.152 -7.332 89 HB2 ASP 42 HB2 ASP 42 -3.466 -1.777 -7.885 90 HB3 ASP 42 HB3 ASP 42 -3.137 -1.694 -9.609 91 H GLU 43 H GLU 43 -0.462 -1.473 -10.728 92 HA GLU 43 HA GLU 43 0.755 -4.039 -11.328 93 HB2 GLU 43 HB2 GLU 43 -0.014 -2.419 -13.038 94 HB3 GLU 43 HB3 GLU 43 1.197 -1.268 -12.502 95 HG2 GLU 43 HG2 GLU 43 2.996 -2.905 -13.146 96 HG3 GLU 43 HG3 GLU 43 1.735 -3.959 -13.804 97 H ARG 44 H ARG 44 2.072 -0.913 -10.049 98 HA ARG 44 HA ARG 44 4.781 -1.877 -9.777 99 HB2 ARG 44 HB2 ARG 44 3.240 0.393 -8.437 100 HB3 ARG 44 HB3 ARG 44 4.903 -0.004 -8.067 101 HG2 ARG 44 HG2 ARG 44 5.321 0.200 -10.643 102 HG3 ARG 44 HG3 ARG 44 3.769 1.040 -10.663 103 HD2 ARG 44 HD2 ARG 44 6.299 1.794 -9.141 104 HD3 ARG 44 HD3 ARG 44 5.616 2.663 -10.501 105 HE ARG 44 HE ARG 44 4.937 2.944 -7.732 106 HH11 ARG 44 HH11 ARG 44 3.470 3.396 -10.930 107 HH12 ARG 44 HH12 ARG 44 2.083 4.225 -10.206 108 HH21 ARG 44 HH21 ARG 44 3.308 4.226 -7.025 109 HH22 ARG 44 HH22 ARG 44 2.223 4.982 -8.144 110 H LEU 45 H LEU 45 2.058 -1.763 -7.392 111 HA LEU 45 HA LEU 45 3.654 -2.841 -5.284 112 HB2 LEU 45 HB2 LEU 45 0.653 -2.770 -5.720 113 HB3 LEU 45 HB3 LEU 45 1.399 -3.340 -4.229 114 HG LEU 45 HG LEU 45 1.808 -0.544 -5.387 115 HD11 LEU 45 HD11 LEU 45 0.054 -1.516 -3.113 116 HD12 LEU 45 HD12 LEU 45 -0.498 -0.876 -4.668 117 HD13 LEU 45 HD13 LEU 45 0.355 0.184 -3.527 118 HD21 LEU 45 HD21 LEU 45 2.649 -1.749 -2.727 119 HD22 LEU 45 HD22 LEU 45 2.673 -0.019 -3.105 120 HD23 LEU 45 HD23 LEU 45 3.712 -1.116 -4.006 121 H ARG 46 H ARG 46 1.770 -4.599 -7.789 122 HA ARG 46 HA ARG 46 2.285 -7.256 -6.739 123 HB2 ARG 46 HB2 ARG 46 1.712 -6.133 -9.515 124 HB3 ARG 46 HB3 ARG 46 1.956 -7.854 -9.219 125 HG2 ARG 46 HG2 ARG 46 0.020 -8.055 -7.860 126 HG3 ARG 46 HG3 ARG 46 -0.117 -6.313 -7.666 127 HD2 ARG 46 HD2 ARG 46 -0.549 -6.111 -10.142 128 HD3 ARG 46 HD3 ARG 46 -0.619 -7.869 -10.228 129 HE ARG 46 HE ARG 46 -2.635 -6.007 -9.203 130 HH11 ARG 46 HH11 ARG 46 -1.709 -9.437 -9.089 131 HH12 ARG 46 HH12 ARG 46 -3.323 -9.882 -8.571 132 HH21 ARG 46 HH21 ARG 46 -4.675 -6.832 -8.883 133 HH22 ARG 46 HH22 ARG 46 -4.878 -8.529 -8.474 134 H ASN 47 H ASN 47 4.181 -5.010 -8.754 135 HA ASN 47 HA ASN 47 6.336 -6.922 -9.239 136 HB2 ASN 47 HB2 ASN 47 5.920 -3.972 -9.738 137 HB3 ASN 47 HB3 ASN 47 7.556 -4.599 -9.690 138 HD21 ASN 47 HD21 ASN 47 4.426 -4.867 -11.385 139 HD22 ASN 47 HD22 ASN 47 5.115 -5.733 -12.767 140 H TYR 48 H TYR 48 5.966 -4.233 -6.826 141 HA TYR 48 HA TYR 48 8.320 -4.658 -5.337 142 HB2 TYR 48 HB2 TYR 48 5.539 -3.741 -4.654 143 HB3 TYR 48 HB3 TYR 48 6.644 -4.047 -3.385 144 HD1 TYR 48 HD1 TYR 48 6.413 -1.928 -6.507 145 HD2 TYR 48 HD2 TYR 48 7.896 -2.310 -2.499 146 HE1 TYR 48 HE1 TYR 48 6.755 0.524 -6.411 147 HE2 TYR 48 HE2 TYR 48 8.380 0.120 -2.453 148 HH TYR 48 HH TYR 48 7.553 2.291 -5.169 149 H LEU 49 H LEU 49 5.141 -6.336 -5.026 150 HA LEU 49 HA LEU 49 5.953 -7.942 -2.821 151 HB2 LEU 49 HB2 LEU 49 3.706 -7.913 -4.833 152 HB3 LEU 49 HB3 LEU 49 3.998 -9.458 -4.077 153 HG LEU 49 HG LEU 49 3.565 -6.931 -2.479 154 HD11 LEU 49 HD11 LEU 49 1.628 -9.169 -3.275 155 HD12 LEU 49 HD12 LEU 49 1.525 -7.466 -3.777 156 HD13 LEU 49 HD13 LEU 49 1.270 -7.925 -2.080 157 HD21 LEU 49 HD21 LEU 49 3.510 -9.874 -1.722 158 HD22 LEU 49 HD22 LEU 49 3.059 -8.524 -0.650 159 HD23 LEU 49 HD23 LEU 49 4.715 -8.675 -1.228 160 H LYS 50 H LYS 50 5.730 -8.996 -6.267 161 HA LYS 50 HA LYS 50 6.724 -11.616 -5.613 162 HB2 LYS 50 HB2 LYS 50 6.810 -10.139 -8.266 163 HB3 LYS 50 HB3 LYS 50 7.112 -11.870 -8.007 164 HG2 LYS 50 HG2 LYS 50 4.851 -12.271 -7.269 165 HG3 LYS 50 HG3 LYS 50 4.454 -10.550 -7.300 166 HD2 LYS 50 HD2 LYS 50 5.232 -12.197 -9.743 167 HD3 LYS 50 HD3 LYS 50 3.587 -11.800 -9.276 168 HE2 LYS 50 HE2 LYS 50 4.085 -9.382 -9.437 169 HE3 LYS 50 HE3 LYS 50 5.740 -9.739 -9.955 170 HZ1 LYS 50 HZ1 LYS 50 3.333 -10.666 -11.417 171 HZ2 LYS 50 HZ2 LYS 50 4.873 -10.751 -11.959 172 HZ3 LYS 50 HZ3 LYS 50 4.095 -9.289 -11.770 173 H LYS 51 H LYS 51 8.444 -8.720 -6.805 174 HA LYS 51 HA LYS 51 11.073 -10.007 -6.805 175 HB2 LYS 51 HB2 LYS 51 10.250 -7.116 -6.938 176 HB3 LYS 51 HB3 LYS 51 11.889 -7.730 -7.229 177 HG2 LYS 51 HG2 LYS 51 10.825 -9.105 -9.120 178 HG3 LYS 51 HG3 LYS 51 9.367 -8.131 -8.838 179 HD2 LYS 51 HD2 LYS 51 11.142 -6.116 -9.069 180 HD3 LYS 51 HD3 LYS 51 12.031 -7.323 -10.001 181 HE2 LYS 51 HE2 LYS 51 10.057 -7.670 -11.456 182 HE3 LYS 51 HE3 LYS 51 9.103 -6.597 -10.417 183 HZ1 LYS 51 HZ1 LYS 51 11.418 -5.733 -12.061 184 HZ2 LYS 51 HZ2 LYS 51 10.514 -4.759 -11.047 185 HZ3 LYS 51 HZ3 LYS 51 9.865 -5.411 -12.384 186 H GLY 52 H GLY 52 9.119 -8.674 -4.257 187 HA2 GLY 52 HA2 GLY 52 11.469 -7.906 -2.653 188 HA3 GLY 52 HA3 GLY 52 9.786 -7.496 -2.387 189 H THR 53 H THR 53 8.757 -10.340 -2.521 190 HA THR 53 HA THR 53 9.435 -10.902 0.302 191 HB THR 53 HB THR 53 7.199 -11.647 0.490 192 HG1 THR 53 HG1 THR 53 6.861 -10.971 -2.278 193 HG21 THR 53 HG21 THR 53 6.048 -9.622 0.349 194 HG22 THR 53 HG22 THR 53 7.016 -9.052 -1.043 195 HG23 THR 53 HG23 THR 53 7.749 -9.178 0.557 196 H LYS 54 H LYS 54 8.764 -13.118 1.048 197 HA LYS 54 HA LYS 54 10.293 -15.098 -0.317 198 HB2 LYS 54 HB2 LYS 54 8.216 -15.448 1.876 199 HB3 LYS 54 HB3 LYS 54 9.344 -16.685 1.320 200 HG2 LYS 54 HG2 LYS 54 11.263 -15.163 1.925 201 HG3 LYS 54 HG3 LYS 54 10.084 -14.028 2.624 202 HD2 LYS 54 HD2 LYS 54 9.275 -15.829 4.132 203 HD3 LYS 54 HD3 LYS 54 10.508 -16.922 3.464 204 HE2 LYS 54 HE2 LYS 54 12.281 -15.308 4.206 205 HE3 LYS 54 HE3 LYS 54 11.012 -14.286 4.912 206 HZ1 LYS 54 HZ1 LYS 54 11.938 -15.722 6.606 207 HZ2 LYS 54 HZ2 LYS 54 11.613 -17.082 5.696 208 HZ3 LYS 54 HZ3 LYS 54 10.383 -16.185 6.308 209 H ASN 55 H ASN 55 6.714 -14.692 -0.089 210 HA ASN 55 HA ASN 55 6.525 -16.460 -2.461 211 HB2 ASN 55 HB2 ASN 55 4.365 -16.312 -0.321 212 HB3 ASN 55 HB3 ASN 55 4.610 -17.600 -1.477 213 HD21 ASN 55 HD21 ASN 55 3.853 -18.099 0.912 214 HD22 ASN 55 HD22 ASN 55 5.111 -18.488 2.079 215 H SER 56 H SER 56 5.075 -13.736 -0.903 216 HA SER 56 HA SER 56 3.386 -12.305 -1.395 217 HB2 SER 56 HB2 SER 56 4.563 -11.641 -3.315 218 HB3 SER 56 HB3 SER 56 4.083 -13.067 -4.237 219 HG SER 56 HG SER 56 2.153 -12.316 -4.570 220 H ALA 57 H ALA 57 2.869 -15.490 -2.879 221 HA ALA 57 HA ALA 57 0.202 -15.255 -3.545 222 HB1 ALA 57 HB1 ALA 57 0.280 -17.711 -3.742 223 HB2 ALA 57 HB2 ALA 57 1.758 -17.751 -2.761 224 HB3 ALA 57 HB3 ALA 57 1.769 -16.974 -4.359 225 H GLN 58 H GLN 58 1.210 -15.390 -0.283 226 HA GLN 58 HA GLN 58 -1.344 -16.603 0.613 227 HB2 GLN 58 HB2 GLN 58 -0.379 -16.560 2.834 228 HB3 GLN 58 HB3 GLN 58 0.601 -17.467 1.682 229 HG2 GLN 58 HG2 GLN 58 2.230 -15.685 1.526 230 HG3 GLN 58 HG3 GLN 58 1.300 -14.640 2.552 231 HE21 GLN 58 HE21 GLN 58 3.946 -15.370 3.179 232 HE22 GLN 58 HE22 GLN 58 3.961 -16.499 4.543 233 H PHE 59 H PHE 59 -0.222 -13.447 -0.103 234 HA PHE 59 HA PHE 59 -1.858 -12.051 1.863 235 HB2 PHE 59 HB2 PHE 59 -0.645 -11.077 -0.728 236 HB3 PHE 59 HB3 PHE 59 -1.462 -10.071 0.467 237 HD1 PHE 59 HD1 PHE 59 -0.563 -10.533 3.026 238 HD2 PHE 59 HD2 PHE 59 1.703 -11.007 -0.603 239 HE1 PHE 59 HE1 PHE 59 1.537 -10.361 4.324 240 HE2 PHE 59 HE2 PHE 59 3.813 -10.864 0.710 241 HZ PHE 59 HZ PHE 59 3.719 -10.564 3.162 242 H GLU 60 H GLU 60 -3.801 -11.126 1.663 243 HA GLU 60 HA GLU 60 -5.645 -12.202 -0.458 244 HB2 GLU 60 HB2 GLU 60 -5.945 -13.415 1.554 245 HB3 GLU 60 HB3 GLU 60 -5.834 -11.965 2.557 246 HG2 GLU 60 HG2 GLU 60 -7.988 -11.166 1.675 247 HG3 GLU 60 HG3 GLU 60 -8.125 -12.623 0.667 248 H LYS 61 H LYS 61 -4.946 -9.462 1.744 249 HA LYS 61 HA LYS 61 -5.843 -7.720 -0.414 250 HB2 LYS 61 HB2 LYS 61 -7.273 -6.299 0.798 251 HB3 LYS 61 HB3 LYS 61 -7.895 -7.924 0.975 252 HG2 LYS 61 HG2 LYS 61 -7.298 -8.010 3.297 253 HG3 LYS 61 HG3 LYS 61 -6.207 -6.630 3.159 254 HD2 LYS 61 HD2 LYS 61 -7.884 -5.071 3.080 255 HD3 LYS 61 HD3 LYS 61 -9.078 -6.155 2.391 256 HE2 LYS 61 HE2 LYS 61 -8.069 -6.668 5.187 257 HE3 LYS 61 HE3 LYS 61 -9.206 -5.353 4.908 258 HZ1 LYS 61 HZ1 LYS 61 -9.712 -8.171 4.148 259 HZ2 LYS 61 HZ2 LYS 61 -10.777 -6.914 3.967 260 HZ3 LYS 61 HZ3 LYS 61 -10.354 -7.449 5.456 261 H MET 62 H MET 62 -5.371 -5.463 0.014 262 HA MET 62 HA MET 62 -3.133 -4.913 1.845 263 HB2 MET 62 HB2 MET 62 -1.758 -3.917 0.138 264 HB3 MET 62 HB3 MET 62 -2.107 -5.587 -0.316 265 HG2 MET 62 HG2 MET 62 -3.704 -4.894 -1.982 266 HG3 MET 62 HG3 MET 62 -3.669 -3.221 -1.405 267 HE1 MET 62 HE1 MET 62 -3.265 -3.996 -4.547 268 HE2 MET 62 HE2 MET 62 -2.103 -2.693 -4.855 269 HE3 MET 62 HE3 MET 62 -3.478 -2.405 -3.770 270 H VAL 63 H VAL 63 -2.690 -2.618 2.044 271 HA VAL 63 HA VAL 63 -4.905 -0.804 1.285 272 HB VAL 63 HB VAL 63 -5.282 -1.798 3.583 273 HG11 VAL 63 HG11 VAL 63 -2.798 -1.740 4.122 274 HG12 VAL 63 HG12 VAL 63 -3.992 -1.383 5.378 275 HG13 VAL 63 HG13 VAL 63 -3.067 -0.058 4.584 276 HG21 VAL 63 HG21 VAL 63 -5.829 0.281 4.700 277 HG22 VAL 63 HG22 VAL 63 -6.339 0.327 3.008 278 HG23 VAL 63 HG23 VAL 63 -4.883 1.214 3.524 279 H ILE 64 H ILE 64 -4.314 1.287 0.966 280 HA ILE 64 HA ILE 64 -1.369 1.817 0.670 281 HB ILE 64 HB ILE 64 -3.755 2.452 -1.099 282 HG12 ILE 64 HG12 ILE 64 -1.344 0.782 -1.887 283 HG13 ILE 64 HG13 ILE 64 -2.738 0.040 -1.113 284 HG21 ILE 64 HG21 ILE 64 -2.207 3.474 -2.681 285 HG22 ILE 64 HG22 ILE 64 -0.825 3.142 -1.606 286 HG23 ILE 64 HG23 ILE 64 -2.087 4.311 -1.154 287 HD11 ILE 64 HD11 ILE 64 -2.861 1.572 -3.731 288 HD12 ILE 64 HD12 ILE 64 -4.226 0.801 -2.896 289 HD13 ILE 64 HD13 ILE 64 -2.891 -0.182 -3.529 290 H LEU 65 H LEU 65 -0.684 3.535 1.790 291 HA LEU 65 HA LEU 65 -2.583 5.658 2.653 292 HB2 LEU 65 HB2 LEU 65 -0.328 4.142 4.020 293 HB3 LEU 65 HB3 LEU 65 -0.680 5.790 4.492 294 HG LEU 65 HG LEU 65 -3.072 5.153 4.775 295 HD11 LEU 65 HD11 LEU 65 -3.349 3.084 3.706 296 HD12 LEU 65 HD12 LEU 65 -3.486 2.738 5.414 297 HD13 LEU 65 HD13 LEU 65 -1.971 2.348 4.569 298 HD21 LEU 65 HD21 LEU 65 -1.140 3.743 6.679 299 HD22 LEU 65 HD22 LEU 65 -2.779 4.267 7.045 300 HD23 LEU 65 HD23 LEU 65 -1.532 5.475 6.711 301 H THR 66 H THR 66 -2.281 7.469 1.534 302 HA THR 66 HA THR 66 0.435 8.114 0.449 303 HB THR 66 HB THR 66 -0.652 9.399 -1.263 304 HG1 THR 66 HG1 THR 66 -2.426 10.170 -0.118 305 HG21 THR 66 HG21 THR 66 -1.813 7.731 -2.536 306 HG22 THR 66 HG22 THR 66 -2.178 6.782 -1.079 307 HG23 THR 66 HG23 THR 66 -0.498 6.939 -1.649 308 H GLU 67 H GLU 67 0.796 10.562 0.093 309 HA GLU 67 HA GLU 67 0.359 12.231 2.358 310 HB2 GLU 67 HB2 GLU 67 0.259 13.275 -0.470 311 HB3 GLU 67 HB3 GLU 67 0.761 14.120 0.972 312 HG2 GLU 67 HG2 GLU 67 2.850 12.888 1.064 313 HG3 GLU 67 HG3 GLU 67 2.340 11.823 -0.250 314 H ASN 68 H ASN 68 -1.149 14.104 2.494 315 HA ASN 68 HA ASN 68 -3.165 15.115 2.533 316 HB2 ASN 68 HB2 ASN 68 -3.488 14.016 -0.271 317 HB3 ASN 68 HB3 ASN 68 -4.213 15.477 0.369 318 HD21 ASN 68 HD21 ASN 68 -2.205 14.876 -1.871 319 HD22 ASN 68 HD22 ASN 68 -0.808 15.901 -1.490 320 H LYS 69 H LYS 69 -3.160 12.494 3.666 321 HA LYS 69 HA LYS 69 -4.521 11.021 4.667 322 HB2 LYS 69 HB2 LYS 69 -6.613 13.165 4.144 323 HB3 LYS 69 HB3 LYS 69 -6.781 11.832 5.294 324 HG2 LYS 69 HG2 LYS 69 -4.857 12.576 6.574 325 HG3 LYS 69 HG3 LYS 69 -4.484 13.834 5.404 326 HD2 LYS 69 HD2 LYS 69 -6.580 15.008 5.906 327 HD3 LYS 69 HD3 LYS 69 -6.989 13.767 7.125 328 HE2 LYS 69 HE2 LYS 69 -4.868 14.221 8.302 329 HE3 LYS 69 HE3 LYS 69 -4.428 15.414 7.064 330 HZ1 LYS 69 HZ1 LYS 69 -5.318 16.503 9.007 331 HZ2 LYS 69 HZ2 LYS 69 -6.718 15.634 8.948 332 HZ3 LYS 69 HZ3 LYS 69 -6.343 16.738 7.750 333 H GLY 70 H GLY 70 -4.212 10.794 1.737 334 HA2 GLY 70 HA2 GLY 70 -6.518 9.290 0.781 335 HA3 GLY 70 HA3 GLY 70 -4.893 9.222 0.117 336 H TYR 71 H TYR 71 -7.156 7.406 1.396 337 HA TYR 71 HA TYR 71 -5.325 5.286 2.341 338 HB2 TYR 71 HB2 TYR 71 -6.116 6.461 4.362 339 HB3 TYR 71 HB3 TYR 71 -7.779 6.186 3.883 340 HD1 TYR 71 HD1 TYR 71 -8.411 3.585 3.488 341 HD2 TYR 71 HD2 TYR 71 -5.186 5.002 6.007 342 HE1 TYR 71 HE1 TYR 71 -8.555 1.534 4.864 343 HE2 TYR 71 HE2 TYR 71 -5.454 3.032 7.446 344 HH TYR 71 HH TYR 71 -6.785 1.244 7.940 345 H TYR 72 H TYR 72 -5.784 3.550 1.115 346 HA TYR 72 HA TYR 72 -8.527 3.146 -0.036 347 HB2 TYR 72 HB2 TYR 72 -5.909 2.925 -1.568 348 HB3 TYR 72 HB3 TYR 72 -7.520 2.718 -2.209 349 HD1 TYR 72 HD1 TYR 72 -8.960 4.667 -2.675 350 HD2 TYR 72 HD2 TYR 72 -4.939 5.142 -1.185 351 HE1 TYR 72 HE1 TYR 72 -8.971 7.040 -3.406 352 HE2 TYR 72 HE2 TYR 72 -4.943 7.522 -1.945 353 HH TYR 72 HH TYR 72 -7.847 8.993 -3.443 354 H THR 73 H THR 73 -9.141 0.974 -0.212 355 HA THR 73 HA THR 73 -7.083 -1.090 0.522 356 HB THR 73 HB THR 73 -8.645 -0.797 2.327 357 HG1 THR 73 HG1 THR 73 -9.254 -2.950 2.469 358 HG21 THR 73 HG21 THR 73 -10.841 -1.694 0.415 359 HG22 THR 73 HG22 THR 73 -10.679 -0.069 1.129 360 HG23 THR 73 HG23 THR 73 -10.983 -1.449 2.171 361 H VAL 74 H VAL 74 -7.019 -3.005 -0.522 362 HA VAL 74 HA VAL 74 -8.551 -3.384 -3.060 363 HB VAL 74 HB VAL 74 -5.535 -3.067 -2.777 364 HG11 VAL 74 HG11 VAL 74 -5.781 -5.007 -4.179 365 HG12 VAL 74 HG12 VAL 74 -5.458 -3.644 -5.242 366 HG13 VAL 74 HG13 VAL 74 -7.112 -4.257 -5.083 367 HG21 VAL 74 HG21 VAL 74 -7.560 -1.669 -4.569 368 HG22 VAL 74 HG22 VAL 74 -5.801 -1.430 -4.619 369 HG23 VAL 74 HG23 VAL 74 -6.708 -0.954 -3.184 370 H TYR 75 H TYR 75 -9.077 -5.520 -3.314 371 HA TYR 75 HA TYR 75 -7.800 -7.529 -1.529 372 HB2 TYR 75 HB2 TYR 75 -10.356 -7.565 -3.153 373 HB3 TYR 75 HB3 TYR 75 -9.700 -8.957 -2.308 374 HD1 TYR 75 HD1 TYR 75 -10.934 -5.437 -1.747 375 HD2 TYR 75 HD2 TYR 75 -10.130 -9.310 -0.012 376 HE1 TYR 75 HE1 TYR 75 -11.904 -4.670 0.411 377 HE2 TYR 75 HE2 TYR 75 -11.155 -8.551 2.122 378 HH TYR 75 HH TYR 75 -12.322 -5.203 2.617 379 H LEU 76 H LEU 76 -6.360 -8.908 -2.282 380 HA LEU 76 HA LEU 76 -5.379 -8.578 -5.034 381 HB2 LEU 76 HB2 LEU 76 -4.376 -10.026 -2.553 382 HB3 LEU 76 HB3 LEU 76 -3.519 -10.077 -4.085 383 HG LEU 76 HG LEU 76 -4.186 -7.454 -2.678 384 HD11 LEU 76 HD11 LEU 76 -2.753 -8.795 -1.221 385 HD12 LEU 76 HD12 LEU 76 -1.849 -7.442 -1.927 386 HD13 LEU 76 HD13 LEU 76 -1.622 -9.082 -2.571 387 HD21 LEU 76 HD21 LEU 76 -2.183 -8.149 -4.880 388 HD22 LEU 76 HD22 LEU 76 -2.354 -6.564 -4.107 389 HD23 LEU 76 HD23 LEU 76 -3.670 -7.201 -5.091 390 H ASN 77 H ASN 77 -7.498 -10.769 -3.564 391 HA ASN 77 HA ASN 77 -6.947 -13.217 -4.866 392 HB2 ASN 77 HB2 ASN 77 -9.660 -12.054 -4.113 393 HB3 ASN 77 HB3 ASN 77 -9.300 -13.758 -4.346 394 HD21 ASN 77 HD21 ASN 77 -10.474 -12.443 -2.052 395 HD22 ASN 77 HD22 ASN 77 -9.387 -12.764 -0.701 396 H THR 78 H THR 78 -8.044 -10.301 -6.405 397 HA THR 78 HA THR 78 -9.031 -11.694 -8.817 398 HB THR 78 HB THR 78 -10.997 -10.135 -8.816 399 HG1 THR 78 HG1 THR 78 -10.389 -8.522 -7.519 400 HG21 THR 78 HG21 THR 78 -11.281 -12.431 -7.856 401 HG22 THR 78 HG22 THR 78 -10.966 -11.758 -6.242 402 HG23 THR 78 HG23 THR 78 -12.377 -11.215 -7.168 403 HA PRO 79 HA PRO 79 -7.089 -8.188 -10.884 404 HB2 PRO 79 HB2 PRO 79 -8.724 -7.952 -13.082 405 HB3 PRO 79 HB3 PRO 79 -7.542 -9.283 -12.879 406 HG2 PRO 79 HG2 PRO 79 -10.472 -9.314 -12.166 407 HG3 PRO 79 HG3 PRO 79 -9.587 -10.500 -13.201 408 HD2 PRO 79 HD2 PRO 79 -10.109 -10.937 -10.612 409 HD3 PRO 79 HD3 PRO 79 -8.504 -11.386 -11.225 410 H LEU 80 H LEU 80 -7.424 -5.963 -11.206 411 HA LEU 80 HA LEU 80 -9.412 -4.599 -9.701 412 HB2 LEU 80 HB2 LEU 80 -8.396 -2.641 -10.453 413 HB3 LEU 80 HB3 LEU 80 -7.095 -3.811 -10.342 414 HG LEU 80 HG LEU 80 -8.427 -2.760 -12.879 415 HD11 LEU 80 HD11 LEU 80 -6.933 -1.165 -11.788 416 HD12 LEU 80 HD12 LEU 80 -6.156 -1.791 -13.258 417 HD13 LEU 80 HD13 LEU 80 -5.656 -2.394 -11.674 418 HD21 LEU 80 HD21 LEU 80 -6.660 -3.933 -14.142 419 HD22 LEU 80 HD22 LEU 80 -7.702 -5.081 -13.316 420 HD23 LEU 80 HD23 LEU 80 -6.090 -4.698 -12.660 421 H ALA 81 H ALA 81 -11.002 -3.050 -10.406 422 HA ALA 81 HA ALA 81 -12.282 -3.522 -13.054 423 HB1 ALA 81 HB1 ALA 81 -13.132 -1.799 -10.686 424 HB2 ALA 81 HB2 ALA 81 -13.694 -3.459 -10.999 425 HB3 ALA 81 HB3 ALA 81 -14.092 -2.159 -12.133 426 H GLU 82 H GLU 82 -12.846 -1.614 -14.338 427 HA GLU 82 HA GLU 82 -10.638 0.037 -15.018 428 HB2 GLU 82 HB2 GLU 82 -13.589 0.480 -15.580 429 HB3 GLU 82 HB3 GLU 82 -12.277 1.321 -16.394 430 HG2 GLU 82 HG2 GLU 82 -12.667 -1.695 -16.476 431 HG3 GLU 82 HG3 GLU 82 -13.331 -0.575 -17.656 432 H ASP 83 H ASP 83 -13.045 0.597 -12.544 433 HA ASP 83 HA ASP 83 -12.953 3.429 -12.333 434 HB2 ASP 83 HB2 ASP 83 -14.582 1.974 -11.166 435 HB3 ASP 83 HB3 ASP 83 -13.274 1.282 -10.195 436 H ARG 84 H ARG 84 -10.872 0.898 -10.944 437 HA ARG 84 HA ARG 84 -9.143 2.676 -9.424 438 HB2 ARG 84 HB2 ARG 84 -8.777 -0.184 -10.423 439 HB3 ARG 84 HB3 ARG 84 -7.652 0.675 -9.384 440 HG2 ARG 84 HG2 ARG 84 -9.573 0.987 -7.713 441 HG3 ARG 84 HG3 ARG 84 -10.503 -0.144 -8.720 442 HD2 ARG 84 HD2 ARG 84 -8.609 -1.788 -8.482 443 HD3 ARG 84 HD3 ARG 84 -7.837 -0.680 -7.334 444 HE ARG 84 HE ARG 84 -10.069 -0.931 -6.020 445 HH11 ARG 84 HH11 ARG 84 -8.187 -3.570 -7.429 446 HH12 ARG 84 HH12 ARG 84 -9.151 -4.758 -6.569 447 HH21 ARG 84 HH21 ARG 84 -11.310 -2.554 -5.199 448 HH22 ARG 84 HH22 ARG 84 -10.730 -4.218 -5.308 449 H LYS 85 H LYS 85 -9.138 1.453 -12.732 450 HA LYS 85 HA LYS 85 -6.493 2.403 -13.455 451 HB2 LYS 85 HB2 LYS 85 -8.891 1.875 -15.251 452 HB3 LYS 85 HB3 LYS 85 -7.235 2.148 -15.784 453 HG2 LYS 85 HG2 LYS 85 -6.503 0.127 -14.517 454 HG3 LYS 85 HG3 LYS 85 -8.199 -0.183 -14.079 455 HD2 LYS 85 HD2 LYS 85 -8.742 -0.237 -16.544 456 HD3 LYS 85 HD3 LYS 85 -7.000 -0.145 -16.883 457 HE2 LYS 85 HE2 LYS 85 -6.613 -2.237 -15.666 458 HE3 LYS 85 HE3 LYS 85 -8.298 -2.275 -15.127 459 HZ1 LYS 85 HZ1 LYS 85 -8.010 -3.751 -16.981 460 HZ2 LYS 85 HZ2 LYS 85 -7.390 -2.589 -17.935 461 HZ3 LYS 85 HZ3 LYS 85 -8.975 -2.505 -17.438 462 H ASN 86 H ASN 86 -9.290 4.099 -12.696 463 HA ASN 86 HA ASN 86 -8.368 6.579 -14.096 464 HB2 ASN 86 HB2 ASN 86 -11.162 5.402 -13.744 465 HB3 ASN 86 HB3 ASN 86 -10.873 7.065 -14.231 466 HD21 ASN 86 HD21 ASN 86 -10.830 3.743 -15.310 467 HD22 ASN 86 HD22 ASN 86 -10.498 4.118 -16.992 468 H VAL 87 H VAL 87 -8.558 5.363 -10.921 469 HA VAL 87 HA VAL 87 -9.836 7.782 -9.858 470 HB VAL 87 HB VAL 87 -10.439 5.540 -9.058 471 HG11 VAL 87 HG11 VAL 87 -9.169 4.412 -7.406 472 HG12 VAL 87 HG12 VAL 87 -7.910 5.671 -7.413 473 HG13 VAL 87 HG13 VAL 87 -8.136 4.626 -8.837 474 HG21 VAL 87 HG21 VAL 87 -9.496 7.558 -6.984 475 HG22 VAL 87 HG22 VAL 87 -10.695 6.269 -6.730 476 HG23 VAL 87 HG23 VAL 87 -11.046 7.583 -7.860 477 H GLU 88 H GLU 88 -8.803 9.507 -9.338 478 HA GLU 88 HA GLU 88 -5.950 9.759 -9.655 479 HB2 GLU 88 HB2 GLU 88 -8.174 11.668 -8.799 480 HB3 GLU 88 HB3 GLU 88 -6.501 12.176 -9.012 481 HG2 GLU 88 HG2 GLU 88 -8.041 10.847 -11.274 482 HG3 GLU 88 HG3 GLU 88 -8.158 12.573 -10.941 483 H LEU 89 H LEU 89 -4.698 8.872 -8.115 484 HA LEU 89 HA LEU 89 -5.018 8.611 -5.364 485 HB2 LEU 89 HB2 LEU 89 -2.560 9.110 -7.092 486 HB3 LEU 89 HB3 LEU 89 -2.430 8.698 -5.400 487 HG LEU 89 HG LEU 89 -3.841 6.915 -7.430 488 HD11 LEU 89 HD11 LEU 89 -1.015 6.701 -6.320 489 HD12 LEU 89 HD12 LEU 89 -1.444 7.169 -7.977 490 HD13 LEU 89 HD13 LEU 89 -1.819 5.540 -7.404 491 HD21 LEU 89 HD21 LEU 89 -4.525 6.461 -5.099 492 HD22 LEU 89 HD22 LEU 89 -2.818 6.405 -4.595 493 HD23 LEU 89 HD23 LEU 89 -3.473 5.170 -5.686 494 H LEU 90 H LEU 90 -5.374 10.008 -3.780 495 HA LEU 90 HA LEU 90 -5.257 12.794 -3.925 496 HB2 LEU 90 HB2 LEU 90 -5.298 10.828 -1.634 497 HB3 LEU 90 HB3 LEU 90 -5.214 12.552 -1.304 498 HG LEU 90 HG LEU 90 -7.396 11.384 -3.072 499 HD11 LEU 90 HD11 LEU 90 -8.858 11.512 -1.067 500 HD12 LEU 90 HD12 LEU 90 -7.436 11.884 -0.064 501 HD13 LEU 90 HD13 LEU 90 -7.580 10.310 -0.892 502 HD21 LEU 90 HD21 LEU 90 -8.594 13.443 -2.446 503 HD22 LEU 90 HD22 LEU 90 -7.078 13.830 -3.256 504 HD23 LEU 90 HD23 LEU 90 -7.201 13.980 -1.485 505 H GLY 91 H GLY 91 -2.598 10.673 -3.061 506 HA2 GLY 91 HA2 GLY 91 -0.731 12.995 -2.991 507 HA3 GLY 91 HA3 GLY 91 -0.861 11.931 -1.598 508 H LYS 92 H LYS 92 1.546 12.205 -2.529 509 HA LYS 92 HA LYS 92 2.409 10.040 -4.232 510 HB2 LYS 92 HB2 LYS 92 3.614 12.252 -3.250 511 HB3 LYS 92 HB3 LYS 92 4.150 11.115 -2.042 512 HG2 LYS 92 HG2 LYS 92 5.847 10.995 -3.636 513 HG3 LYS 92 HG3 LYS 92 4.827 9.645 -4.128 514 HD2 LYS 92 HD2 LYS 92 5.484 10.840 -6.102 515 HD3 LYS 92 HD3 LYS 92 3.760 11.111 -5.842 516 HE2 LYS 92 HE2 LYS 92 4.764 13.193 -6.518 517 HE3 LYS 92 HE3 LYS 92 4.282 13.342 -4.831 518 HZ1 LYS 92 HZ1 LYS 92 6.497 14.228 -5.350 519 HZ2 LYS 92 HZ2 LYS 92 6.502 13.128 -4.154 520 HZ3 LYS 92 HZ3 LYS 92 7.054 12.692 -5.657 521 H MET 93 H MET 93 3.571 8.126 -3.540 522 HA MET 93 HA MET 93 1.900 6.564 -1.755 523 HB2 MET 93 HB2 MET 93 2.757 5.810 -4.029 524 HB3 MET 93 HB3 MET 93 4.353 5.659 -3.307 525 HG2 MET 93 HG2 MET 93 2.990 4.147 -1.537 526 HG3 MET 93 HG3 MET 93 1.833 4.065 -2.858 527 HE1 MET 93 HE1 MET 93 4.832 2.667 -1.176 528 HE2 MET 93 HE2 MET 93 5.800 3.731 -2.223 529 HE3 MET 93 HE3 MET 93 5.872 1.965 -2.428 530 H TYR 94 H TYR 94 2.681 7.926 0.219 531 HA TYR 94 HA TYR 94 5.227 7.495 1.315 532 HB2 TYR 94 HB2 TYR 94 3.772 9.183 2.219 533 HB3 TYR 94 HB3 TYR 94 2.584 7.994 2.694 534 HD1 TYR 94 HD1 TYR 94 6.339 8.216 3.185 535 HD2 TYR 94 HD2 TYR 94 2.454 7.852 5.037 536 HE1 TYR 94 HE1 TYR 94 7.419 7.950 5.396 537 HE2 TYR 94 HE2 TYR 94 3.542 7.583 7.253 538 HH TYR 94 HH TYR 94 7.114 7.603 7.641 539 H LYS 95 H LYS 95 2.314 5.370 1.922 540 HA LYS 95 HA LYS 95 4.212 3.154 2.475 541 HB2 LYS 95 HB2 LYS 95 2.326 4.369 4.506 542 HB3 LYS 95 HB3 LYS 95 2.646 2.635 4.555 543 HG2 LYS 95 HG2 LYS 95 5.066 3.025 4.692 544 HG3 LYS 95 HG3 LYS 95 4.779 4.790 4.736 545 HD2 LYS 95 HD2 LYS 95 3.376 4.468 6.730 546 HD3 LYS 95 HD3 LYS 95 3.824 2.740 6.751 547 HE2 LYS 95 HE2 LYS 95 6.213 3.404 6.937 548 HE3 LYS 95 HE3 LYS 95 5.733 5.108 6.964 549 HZ1 LYS 95 HZ1 LYS 95 4.944 3.070 8.973 550 HZ2 LYS 95 HZ2 LYS 95 4.449 4.627 8.989 551 HZ3 LYS 95 HZ3 LYS 95 6.051 4.276 9.197 552 H THR 96 H THR 96 3.261 1.056 2.780 553 HA THR 96 HA THR 96 0.479 0.648 1.899 554 HB THR 96 HB THR 96 2.666 -0.973 0.557 555 HG1 THR 96 HG1 THR 96 1.673 1.510 -0.088 556 HG21 THR 96 HG21 THR 96 0.901 -1.492 -1.051 557 HG22 THR 96 HG22 THR 96 -0.242 -0.440 -0.196 558 HG23 THR 96 HG23 THR 96 0.350 -1.931 0.561 559 H TYR 97 H TYR 97 -0.388 -1.259 2.726 560 HA TYR 97 HA TYR 97 1.392 -2.987 4.386 561 HB2 TYR 97 HB2 TYR 97 -1.297 -2.175 5.556 562 HB3 TYR 97 HB3 TYR 97 0.059 -2.955 6.225 563 HD1 TYR 97 HD1 TYR 97 -0.495 0.438 4.587 564 HD2 TYR 97 HD2 TYR 97 1.106 -1.829 7.872 565 HE1 TYR 97 HE1 TYR 97 0.316 2.520 5.647 566 HE2 TYR 97 HE2 TYR 97 1.866 0.244 8.948 567 HH TYR 97 HH TYR 97 2.095 2.548 8.744 568 H PHE 98 H PHE 98 0.762 -5.101 4.645 569 HA PHE 98 HA PHE 98 -1.389 -6.090 2.796 570 HB2 PHE 98 HB2 PHE 98 1.490 -6.978 3.098 571 HB3 PHE 98 HB3 PHE 98 0.294 -7.793 2.114 572 HD1 PHE 98 HD1 PHE 98 2.264 -4.618 2.422 573 HD2 PHE 98 HD2 PHE 98 -0.200 -7.100 -0.096 574 HE1 PHE 98 HE1 PHE 98 2.846 -3.215 0.455 575 HE2 PHE 98 HE2 PHE 98 0.400 -5.697 -2.057 576 HZ PHE 98 HZ PHE 98 1.941 -3.786 -1.794 577 H PHE 99 H PHE 99 -2.365 -7.998 3.241 578 HA PHE 99 HA PHE 99 -2.065 -9.097 6.018 579 HB2 PHE 99 HB2 PHE 99 -4.616 -8.339 4.510 580 HB3 PHE 99 HB3 PHE 99 -4.519 -8.945 6.146 581 HD1 PHE 99 HD1 PHE 99 -3.775 -6.066 3.918 582 HD2 PHE 99 HD2 PHE 99 -4.064 -7.397 8.001 583 HE1 PHE 99 HE1 PHE 99 -3.432 -3.758 4.679 584 HE2 PHE 99 HE2 PHE 99 -3.815 -5.042 8.766 585 HZ PHE 99 HZ PHE 99 -3.382 -3.227 7.110 586 H LYS 100 H LYS 100 -1.830 -11.298 6.037 587 HA LYS 100 HA LYS 100 -2.242 -12.880 3.633 588 HB2 LYS 100 HB2 LYS 100 -1.685 -13.701 6.490 589 HB3 LYS 100 HB3 LYS 100 -1.661 -14.792 5.101 590 HG2 LYS 100 HG2 LYS 100 0.267 -13.938 4.214 591 HG3 LYS 100 HG3 LYS 100 0.136 -12.367 4.981 592 HD2 LYS 100 HD2 LYS 100 0.546 -13.339 7.153 593 HD3 LYS 100 HD3 LYS 100 0.675 -14.974 6.456 594 HE2 LYS 100 HE2 LYS 100 2.648 -14.051 5.062 595 HE3 LYS 100 HE3 LYS 100 2.568 -12.616 6.093 596 HZ1 LYS 100 HZ1 LYS 100 3.193 -15.393 6.968 597 HZ2 LYS 100 HZ2 LYS 100 2.850 -14.199 8.032 598 HZ3 LYS 100 HZ3 LYS 100 4.168 -14.121 7.055 599 H LYS 101 H LYS 101 -3.557 -14.845 3.599 600 HA LYS 101 HA LYS 101 -6.306 -14.514 3.678 601 HB2 LYS 101 HB2 LYS 101 -4.784 -17.098 4.184 602 HB3 LYS 101 HB3 LYS 101 -6.501 -16.993 3.796 603 HG2 LYS 101 HG2 LYS 101 -5.876 -15.822 1.634 604 HG3 LYS 101 HG3 LYS 101 -4.181 -16.170 2.018 605 HD2 LYS 101 HD2 LYS 101 -4.820 -18.636 2.148 606 HD3 LYS 101 HD3 LYS 101 -6.413 -18.174 1.505 607 HE2 LYS 101 HE2 LYS 101 -5.184 -17.072 -0.447 608 HE3 LYS 101 HE3 LYS 101 -3.684 -17.758 0.199 609 HZ1 LYS 101 HZ1 LYS 101 -4.851 -19.974 0.008 610 HZ2 LYS 101 HZ2 LYS 101 -4.448 -19.240 -1.414 611 HZ3 LYS 101 HZ3 LYS 101 -6.018 -19.243 -0.853 612 H GLY 102 H GLY 102 -7.431 -13.608 5.318 613 HA2 GLY 102 HA2 GLY 102 -8.843 -13.955 7.174 614 HA3 GLY 102 HA3 GLY 102 -7.786 -15.212 7.784 615 H GLU 103 H GLU 103 -5.554 -12.816 7.332 616 HA GLU 103 HA GLU 103 -5.427 -12.159 10.134 617 HB2 GLU 103 HB2 GLU 103 -4.038 -10.915 7.721 618 HB3 GLU 103 HB3 GLU 103 -3.701 -10.476 9.396 619 HG2 GLU 103 HG2 GLU 103 -3.136 -12.881 9.869 620 HG3 GLU 103 HG3 GLU 103 -3.245 -13.197 8.135 621 H SER 104 H SER 104 -5.461 -9.985 11.094 622 HA SER 104 HA SER 104 -6.897 -7.830 9.615 623 HB2 SER 104 HB2 SER 104 -7.913 -7.247 11.964 624 HB3 SER 104 HB3 SER 104 -8.730 -8.281 10.829 625 HG SER 104 HG SER 104 -8.170 -10.074 12.033 626 H LYS 105 H LYS 105 -4.053 -8.653 11.008 627 HA LYS 105 HA LYS 105 -3.409 -5.754 10.993 628 HB2 LYS 105 HB2 LYS 105 -3.523 -6.458 13.334 629 HB3 LYS 105 HB3 LYS 105 -2.303 -7.715 13.044 630 HG2 LYS 105 HG2 LYS 105 -0.597 -6.181 12.815 631 HG3 LYS 105 HG3 LYS 105 -1.635 -4.861 12.332 632 HD2 LYS 105 HD2 LYS 105 -0.905 -4.341 14.519 633 HD3 LYS 105 HD3 LYS 105 -2.599 -4.774 14.641 634 HE2 LYS 105 HE2 LYS 105 -1.922 -7.066 15.378 635 HE3 LYS 105 HE3 LYS 105 -0.228 -6.529 15.360 636 HZ1 LYS 105 HZ1 LYS 105 -1.194 -6.313 17.592 637 HZ2 LYS 105 HZ2 LYS 105 -2.402 -5.367 17.023 638 HZ3 LYS 105 HZ3 LYS 105 -0.854 -4.820 16.996 639 H SER 106 H SER 106 -1.559 -5.259 9.908 640 HA SER 106 HA SER 106 -1.089 -7.181 7.812 641 HB2 SER 106 HB2 SER 106 0.640 -5.250 7.133 642 HB3 SER 106 HB3 SER 106 -1.088 -5.169 6.831 643 HG SER 106 HG SER 106 -1.352 -3.898 8.670 644 H SER 107 H SER 107 0.431 -8.626 7.537 645 HA SER 107 HA SER 107 2.719 -8.896 9.365 646 HB2 SER 107 HB2 SER 107 1.378 -10.851 8.614 647 HB3 SER 107 HB3 SER 107 1.731 -10.459 6.927 648 HG SER 107 HG SER 107 3.389 -11.541 8.917 649 H TYR 108 H TYR 108 2.238 -7.627 6.155 650 HA TYR 108 HA TYR 108 5.175 -7.127 5.905 651 HB2 TYR 108 HB2 TYR 108 4.683 -8.971 4.493 652 HB3 TYR 108 HB3 TYR 108 3.215 -8.224 3.895 653 HD1 TYR 108 HD1 TYR 108 6.932 -7.686 3.934 654 HD2 TYR 108 HD2 TYR 108 3.256 -7.301 1.766 655 HE1 TYR 108 HE1 TYR 108 8.200 -6.903 1.906 656 HE2 TYR 108 HE2 TYR 108 4.480 -6.482 -0.204 657 HH TYR 108 HH TYR 108 6.544 -6.148 -1.150 658 H VAL 109 H VAL 109 5.724 -5.165 5.321 659 HA VAL 109 HA VAL 109 3.713 -3.283 4.225 660 HB VAL 109 HB VAL 109 4.219 -1.534 5.744 661 HG11 VAL 109 HG11 VAL 109 3.675 -3.971 7.434 662 HG12 VAL 109 HG12 VAL 109 2.477 -3.090 6.432 663 HG13 VAL 109 HG13 VAL 109 3.286 -2.270 7.795 664 HG21 VAL 109 HG21 VAL 109 6.265 -3.301 6.969 665 HG22 VAL 109 HG22 VAL 109 5.525 -1.941 7.865 666 HG23 VAL 109 HG23 VAL 109 6.326 -1.607 6.334 667 H ILE 110 H ILE 110 4.592 -1.276 3.519 668 HA ILE 110 HA ILE 110 7.413 -1.362 2.526 669 HB ILE 110 HB ILE 110 4.923 -0.938 0.869 670 HG12 ILE 110 HG12 ILE 110 6.548 -3.463 1.187 671 HG13 ILE 110 HG13 ILE 110 4.826 -3.251 1.369 672 HG21 ILE 110 HG21 ILE 110 7.766 -1.409 -0.112 673 HG22 ILE 110 HG22 ILE 110 7.016 0.206 0.034 674 HG23 ILE 110 HG23 ILE 110 6.338 -0.949 -1.076 675 HD11 ILE 110 HD11 ILE 110 5.091 -4.414 -0.652 676 HD12 ILE 110 HD12 ILE 110 6.430 -3.404 -1.178 677 HD13 ILE 110 HD13 ILE 110 4.762 -2.753 -1.161 678 H ASN 111 H ASN 111 8.235 0.720 2.115 679 HA ASN 111 HA ASN 111 6.458 3.042 2.627 680 HB2 ASN 111 HB2 ASN 111 8.407 4.150 3.698 681 HB3 ASN 111 HB3 ASN 111 7.746 2.808 4.604 682 HD21 ASN 111 HD21 ASN 111 9.307 1.550 5.522 683 HD22 ASN 111 HD22 ASN 111 10.921 1.327 4.818 684 H GLY 112 H GLY 112 7.148 5.008 1.715 685 HA2 GLY 112 HA2 GLY 112 9.019 5.047 -0.558 686 HA3 GLY 112 HA3 GLY 112 7.309 4.916 -0.989 687 HA PRO 113 HA PRO 113 8.656 9.316 -0.617 688 HB2 PRO 113 HB2 PRO 113 7.811 10.293 -2.989 689 HB3 PRO 113 HB3 PRO 113 9.264 9.266 -2.864 690 HG2 PRO 113 HG2 PRO 113 6.447 8.342 -3.558 691 HG3 PRO 113 HG3 PRO 113 7.932 8.059 -4.486 692 HD2 PRO 113 HD2 PRO 113 6.937 6.259 -2.700 693 HD3 PRO 113 HD3 PRO 113 8.701 6.484 -2.868 694 H GLY 114 H GLY 114 7.522 10.820 0.329 695 HA2 GLY 114 HA2 GLY 114 5.249 12.110 -0.008 696 HA3 GLY 114 HA3 GLY 114 4.586 10.636 0.698 697 H LYS 115 H LYS 115 7.158 10.468 2.394 698 HA LYS 115 HA LYS 115 7.816 10.839 4.512 699 HB2 LYS 115 HB2 LYS 115 8.467 12.949 3.251 700 HB3 LYS 115 HB3 LYS 115 7.100 13.747 4.030 701 HG2 LYS 115 HG2 LYS 115 8.095 13.274 6.256 702 HG3 LYS 115 HG3 LYS 115 9.444 12.424 5.474 703 HD2 LYS 115 HD2 LYS 115 10.119 14.522 4.348 704 HD3 LYS 115 HD3 LYS 115 8.711 15.354 5.046 705 HE2 LYS 115 HE2 LYS 115 9.567 14.785 7.333 706 HE3 LYS 115 HE3 LYS 115 11.024 14.106 6.589 707 HZ1 LYS 115 HZ1 LYS 115 11.283 16.450 7.334 708 HZ2 LYS 115 HZ2 LYS 115 10.139 16.934 6.277 709 HZ3 LYS 115 HZ3 LYS 115 11.566 16.298 5.743 710 H THR 116 H THR 116 4.507 11.853 3.995 711 HA THR 116 HA THR 116 3.725 11.181 6.743 712 HB THR 116 HB THR 116 4.516 13.469 7.019 713 HG1 THR 116 HG1 THR 116 2.742 14.241 7.955 714 HG21 THR 116 HG21 THR 116 2.515 14.321 4.885 715 HG22 THR 116 HG22 THR 116 4.286 14.396 4.743 716 HG23 THR 116 HG23 THR 116 3.453 15.393 5.943 717 H ASN 117 H ASN 117 1.352 11.157 6.977 718 HA ASN 117 HA ASN 117 -0.077 10.919 4.396 719 HB2 ASN 117 HB2 ASN 117 -0.828 10.195 7.266 720 HB3 ASN 117 HB3 ASN 117 -1.893 10.005 5.872 721 HD21 ASN 117 HD21 ASN 117 -0.676 8.939 3.901 722 HD22 ASN 117 HD22 ASN 117 0.244 7.505 4.328 723 H GLU 118 H GLU 118 0.718 13.443 6.422 724 HA GLU 118 HA GLU 118 -1.987 14.697 6.342 725 HB2 GLU 118 HB2 GLU 118 0.425 15.144 8.125 726 HB3 GLU 118 HB3 GLU 118 -1.130 15.972 8.254 727 HG2 GLU 118 HG2 GLU 118 -2.265 14.009 8.955 728 HG3 GLU 118 HG3 GLU 118 -0.948 12.944 8.457 729 H TYR 119 H TYR 119 -2.143 15.912 4.503 730 HA TYR 119 HA TYR 119 -1.756 17.451 2.960 731 HB2 TYR 119 HB2 TYR 119 -2.628 18.405 5.225 732 HB3 TYR 119 HB3 TYR 119 -1.075 19.201 5.331 733 HD1 TYR 119 HD1 TYR 119 -2.581 19.032 1.911 734 HD2 TYR 119 HD2 TYR 119 -2.470 21.213 5.644 735 HE1 TYR 119 HE1 TYR 119 -3.716 20.933 0.836 736 HE2 TYR 119 HE2 TYR 119 -3.635 23.118 4.544 737 HH TYR 119 HH TYR 119 -4.561 23.042 1.087 738 H ALA 120 H ALA 120 0.610 16.062 3.228 739 HA ALA 120 HA ALA 120 2.837 15.962 2.917 740 HB1 ALA 120 HB1 ALA 120 1.963 16.444 0.658 741 HB2 ALA 120 HB2 ALA 120 3.621 17.030 0.867 742 HB3 ALA 120 HB3 ALA 120 2.267 18.177 0.915 743 H TYR 121 H TYR 121 2.321 17.508 5.229 744 HA TYR 121 HA TYR 121 4.826 19.127 5.337 745 HB2 TYR 121 HB2 TYR 121 2.913 20.615 4.810 746 HB3 TYR 121 HB3 TYR 121 2.143 20.140 6.319 747 HD1 TYR 121 HD1 TYR 121 3.306 20.680 8.521 748 HD2 TYR 121 HD2 TYR 121 4.656 22.264 4.741 749 HE1 TYR 121 HE1 TYR 121 4.621 22.424 9.711 750 HE2 TYR 121 HE2 TYR 121 5.907 24.047 5.939 751 HH TYR 121 HH TYR 121 6.309 25.044 7.990 752 H1 ACE 6 H1 ACE 6 15.030 5.375 -7.624 753 H2 ACE 6 H2 ACE 6 15.961 6.881 -7.737 754 H3 ACE 6 H3 ACE 6 14.723 6.505 -8.962 755 H THR 7 H THR 7 12.579 5.798 -7.719 756 HA THR 7 HA THR 7 11.948 7.357 -5.321 757 HB THR 7 HB THR 7 11.635 9.072 -6.997 758 HG1 THR 7 HG1 THR 7 9.264 7.941 -6.037 759 HG21 THR 7 HG21 THR 7 9.909 8.941 -8.731 760 HG22 THR 7 HG22 THR 7 9.642 7.221 -8.376 761 HG23 THR 7 HG23 THR 7 11.200 7.768 -9.029 762 H THR 8 H THR 8 12.133 4.589 -5.792 763 HA THR 8 HA THR 8 9.638 3.627 -4.844 764 HB THR 8 HB THR 8 9.867 3.677 -7.757 765 HG1 THR 8 HG1 THR 8 8.262 4.481 -6.461 766 HG21 THR 8 HG21 THR 8 9.159 0.986 -6.561 767 HG22 THR 8 HG22 THR 8 10.338 1.327 -7.822 768 HG23 THR 8 HG23 THR 8 8.621 1.551 -8.154 769 HA PRO 9 HA PRO 9 12.085 -0.273 -5.440 770 HB2 PRO 9 HB2 PRO 9 14.720 -0.426 -6.161 771 HB3 PRO 9 HB3 PRO 9 13.294 -0.378 -7.235 772 HG2 PRO 9 HG2 PRO 9 15.025 1.960 -6.336 773 HG3 PRO 9 HG3 PRO 9 14.589 1.516 -8.026 774 HD2 PRO 9 HD2 PRO 9 13.215 3.397 -6.711 775 HD3 PRO 9 HD3 PRO 9 12.345 2.189 -7.703 776 H ASP 10 H ASP 10 11.593 0.130 -3.315 777 HA ASP 10 HA ASP 10 13.720 -1.089 -1.652 778 HB2 ASP 10 HB2 ASP 10 11.912 1.175 -0.661 779 HB3 ASP 10 HB3 ASP 10 12.680 0.004 0.385 780 HN2 TYS 11 HN2 TYS 11 12.894 -3.117 -1.759 781 HA TYS 11 HA TYS 11 9.983 -3.449 -2.196 782 HB2 TYS 11 HB2 TYS 11 12.243 -5.090 -3.304 783 HB3 TYS 11 HB3 TYS 11 10.586 -5.627 -3.228 784 HD1 TYS 11 HD1 TYS 11 10.227 -2.127 -3.676 785 HD2 TYS 11 HD2 TYS 11 11.182 -5.771 -5.724 786 HE1 TYS 11 HE1 TYS 11 9.502 -1.156 -5.591 787 HE2 TYS 11 HE2 TYS 11 10.126 -4.837 -7.740 788 H GLY 12 H GLY 12 10.198 -2.861 -0.297 789 HA2 GLY 12 HA2 GLY 12 8.853 -3.020 1.491 790 HA3 GLY 12 HA3 GLY 12 8.348 -4.575 0.802 791 H HIS 13 H HIS 13 8.167 -4.582 3.495 792 HA HIS 13 HA HIS 13 10.184 -6.570 4.210 793 HB2 HIS 13 HB2 HIS 13 10.824 -5.412 6.295 794 HB3 HIS 13 HB3 HIS 13 11.450 -4.648 4.840 795 HD1 HIS 13 HD1 HIS 13 10.293 -2.292 4.074 796 HD2 HIS 13 HD2 HIS 13 8.781 -4.018 7.596 797 HE1 HIS 13 HE1 HIS 13 8.562 -0.651 5.083 798 HE2 HIS 13 HE2 HIS 13 8.086 -1.498 7.458 799 HN2 TYS 14 HN2 TYS 14 9.736 -7.833 5.913 800 HA TYS 14 HA TYS 14 6.933 -7.784 6.864 801 HB2 TYS 14 HB2 TYS 14 9.121 -9.908 6.986 802 HB3 TYS 14 HB3 TYS 14 7.586 -10.060 7.793 803 HD1 TYS 14 HD1 TYS 14 8.914 -9.454 4.211 804 HD2 TYS 14 HD2 TYS 14 5.728 -10.996 6.733 805 HE1 TYS 14 HE1 TYS 14 7.959 -10.535 2.350 806 HE2 TYS 14 HE2 TYS 14 4.748 -12.062 4.786 807 H ASP 15 H ASP 15 6.266 -7.131 8.680 808 HA ASP 15 HA ASP 15 8.275 -6.046 10.645 809 HB2 ASP 15 HB2 ASP 15 7.310 -4.498 8.855 810 HB3 ASP 15 HB3 ASP 15 5.764 -4.671 9.597 811 H ASP 16 H ASP 16 7.454 -5.559 12.802 812 HA ASP 16 HA ASP 16 4.902 -6.856 13.578 813 HB2 ASP 16 HB2 ASP 16 5.902 -8.197 15.282 814 HB3 ASP 16 HB3 ASP 16 6.657 -8.567 13.747 815 H LYS 17 H LYS 17 6.222 -4.020 13.547 816 HA LYS 17 HA LYS 17 5.334 -3.135 16.295 817 HB2 LYS 17 HB2 LYS 17 7.856 -2.247 14.858 818 HB3 LYS 17 HB3 LYS 17 7.334 -1.723 16.455 819 HG2 LYS 17 HG2 LYS 17 7.781 -3.904 17.411 820 HG3 LYS 17 HG3 LYS 17 8.057 -4.590 15.802 821 HD2 LYS 17 HD2 LYS 17 9.948 -2.884 15.519 822 HD3 LYS 17 HD3 LYS 17 9.776 -2.554 17.247 823 HE2 LYS 17 HE2 LYS 17 11.562 -4.156 16.828 824 HE3 LYS 17 HE3 LYS 17 10.260 -4.923 17.758 825 HZ1 LYS 17 HZ1 LYS 17 10.318 -5.165 14.812 826 HZ2 LYS 17 HZ2 LYS 17 9.590 -6.145 15.883 827 HZ3 LYS 17 HZ3 LYS 17 11.230 -6.181 15.746 828 H ASP 18 H ASP 18 5.828 -2.335 12.943 829 HA ASP 18 HA ASP 18 4.275 0.216 13.191 830 HB2 ASP 18 HB2 ASP 18 6.676 -0.487 11.460 831 HB3 ASP 18 HB3 ASP 18 5.690 0.955 11.223 832 H THR 19 H THR 19 3.517 -2.629 12.550 833 HA THR 19 HA THR 19 2.226 -2.778 9.990 834 HB THR 19 HB THR 19 2.314 -4.770 11.400 835 HG1 THR 19 HG1 THR 19 0.694 -5.083 10.390 836 HG21 THR 19 HG21 THR 19 0.778 -3.269 13.501 837 HG22 THR 19 HG22 THR 19 2.470 -3.806 13.624 838 HG23 THR 19 HG23 THR 19 1.207 -5.007 13.485 839 H LEU 20 H LEU 20 -0.171 -2.561 9.658 840 HA LEU 20 HA LEU 20 -1.508 -0.410 11.221 841 HB2 LEU 20 HB2 LEU 20 -1.279 0.414 8.954 842 HB3 LEU 20 HB3 LEU 20 -1.646 -1.190 8.292 843 HG LEU 20 HG LEU 20 -3.969 -0.975 9.032 844 HD11 LEU 20 HD11 LEU 20 -3.757 0.549 10.946 845 HD12 LEU 20 HD12 LEU 20 -4.823 1.237 9.726 846 HD13 LEU 20 HD13 LEU 20 -3.158 1.843 9.878 847 HD21 LEU 20 HD21 LEU 20 -4.566 0.465 7.236 848 HD22 LEU 20 HD22 LEU 20 -2.973 -0.187 6.836 849 HD23 LEU 20 HD23 LEU 20 -3.098 1.464 7.446 850 H ASP 21 H ASP 21 -3.136 -1.189 12.373 851 HA ASP 21 HA ASP 21 -4.186 -3.911 11.920 852 HB2 ASP 21 HB2 ASP 21 -4.678 -4.033 14.045 853 HB3 ASP 21 HB3 ASP 21 -3.617 -2.655 14.268 854 H LEU 22 H LEU 22 -6.060 -4.359 11.220 855 HA LEU 22 HA LEU 22 -7.916 -2.302 10.107 856 HB2 LEU 22 HB2 LEU 22 -6.473 -4.662 9.073 857 HB3 LEU 22 HB3 LEU 22 -8.187 -4.835 8.808 858 HG LEU 22 HG LEU 22 -8.226 -2.625 7.639 859 HD11 LEU 22 HD11 LEU 22 -5.922 -1.799 6.896 860 HD12 LEU 22 HD12 LEU 22 -5.247 -2.783 8.225 861 HD13 LEU 22 HD13 LEU 22 -6.351 -1.450 8.583 862 HD21 LEU 22 HD21 LEU 22 -7.944 -4.779 6.502 863 HD22 LEU 22 HD22 LEU 22 -6.194 -4.694 6.710 864 HD23 LEU 22 HD23 LEU 22 -7.013 -3.512 5.657 865 H ASN 23 H ASN 23 -8.020 -3.901 12.814 866 HA ASN 23 HA ASN 23 -10.027 -5.887 12.623 867 HB2 ASN 23 HB2 ASN 23 -9.105 -4.174 14.950 868 HB3 ASN 23 HB3 ASN 23 -10.166 -5.571 15.108 869 HD21 ASN 23 HD21 ASN 23 -6.897 -4.509 14.620 870 HD22 ASN 23 HD22 ASN 23 -6.197 -6.128 14.798 871 H THR 24 H THR 24 -10.590 -2.391 12.704 872 HA THR 24 HA THR 24 -13.506 -2.968 13.026 873 HB THR 24 HB THR 24 -12.560 -2.320 15.154 874 HG1 THR 24 HG1 THR 24 -14.161 -1.029 15.662 875 HG21 THR 24 HG21 THR 24 -12.048 0.414 13.928 876 HG22 THR 24 HG22 THR 24 -10.811 -0.742 14.492 877 HG23 THR 24 HG23 THR 24 -11.936 -0.022 15.646 878 HA PRO 25 HA PRO 25 -13.710 0.628 10.057 879 HB2 PRO 25 HB2 PRO 25 -11.627 1.521 8.651 880 HB3 PRO 25 HB3 PRO 25 -11.826 1.978 10.368 881 HG2 PRO 25 HG2 PRO 25 -10.062 -0.217 9.227 882 HG3 PRO 25 HG3 PRO 25 -9.627 1.059 10.412 883 HD2 PRO 25 HD2 PRO 25 -10.393 -1.483 11.085 884 HD3 PRO 25 HD3 PRO 25 -10.641 -0.052 12.145 885 H VAL 26 H VAL 26 -13.855 0.724 7.727 886 HA VAL 26 HA VAL 26 -13.214 -1.817 6.315 887 HB VAL 26 HB VAL 26 -15.502 -1.854 7.233 888 HG11 VAL 26 HG11 VAL 26 -16.097 0.532 7.028 889 HG12 VAL 26 HG12 VAL 26 -17.276 -0.492 6.214 890 HG13 VAL 26 HG13 VAL 26 -16.087 0.397 5.254 891 HG21 VAL 26 HG21 VAL 26 -15.508 -1.841 4.199 892 HG22 VAL 26 HG22 VAL 26 -16.629 -2.687 5.274 893 HG23 VAL 26 HG23 VAL 26 -14.927 -3.177 5.220 894 H ASP 27 H ASP 27 -13.479 1.445 6.040 895 HA ASP 27 HA ASP 27 -13.433 3.036 4.363 896 HB2 ASP 27 HB2 ASP 27 -10.865 1.465 4.035 897 HB3 ASP 27 HB3 ASP 27 -11.125 3.078 3.367 898 H LYS 28 H LYS 28 -14.668 0.411 3.210 899 HA LYS 28 HA LYS 28 -15.039 1.508 0.505 900 HB2 LYS 28 HB2 LYS 28 -13.027 0.145 0.279 901 HB3 LYS 28 HB3 LYS 28 -13.851 -1.263 0.959 902 HG2 LYS 28 HG2 LYS 28 -15.374 -1.379 -0.920 903 HG3 LYS 28 HG3 LYS 28 -14.851 0.189 -1.535 904 HD2 LYS 28 HD2 LYS 28 -13.098 -2.302 -1.344 905 HD3 LYS 28 HD3 LYS 28 -13.944 -1.768 -2.793 906 HE2 LYS 28 HE2 LYS 28 -11.746 -0.200 -1.358 907 HE3 LYS 28 HE3 LYS 28 -11.562 -1.146 -2.838 908 HZ1 LYS 28 HZ1 LYS 28 -13.258 0.329 -3.862 909 HZ2 LYS 28 HZ2 LYS 28 -11.878 1.125 -3.456 910 HZ3 LYS 28 HZ3 LYS 28 -13.236 1.291 -2.549 911 HN1 NH2 29 HN1 NH2 29 -18.282 0.310 0.781 912 HN2 NH2 29 HN2 NH2 29 -17.200 1.660 0.495 Start of MODEL 8 1 H1 ASN 31 H1 ASN 31 1.156 12.448 -8.167 2 H2 ASN 31 H2 ASN 31 2.144 12.367 -9.478 3 H3 ASN 31 H3 ASN 31 2.693 11.886 -8.014 4 HA ASN 31 HA ASN 31 1.841 14.608 -8.664 5 HB2 ASN 31 HB2 ASN 31 3.293 13.582 -6.196 6 HB3 ASN 31 HB3 ASN 31 3.048 15.284 -6.599 7 HD21 ASN 31 HD21 ASN 31 1.020 16.245 -6.087 8 HD22 ASN 31 HD22 ASN 31 -0.360 15.305 -5.579 9 H SER 32 H SER 32 5.002 12.956 -7.895 10 HA SER 32 HA SER 32 6.226 14.593 -10.068 11 HB2 SER 32 HB2 SER 32 7.830 15.532 -8.415 12 HB3 SER 32 HB3 SER 32 6.158 16.028 -8.142 13 HG SER 32 HG SER 32 7.025 15.486 -6.228 14 H GLY 33 H GLY 33 6.366 11.564 -8.436 15 HA2 GLY 33 HA2 GLY 33 9.049 11.027 -9.669 16 HA3 GLY 33 HA3 GLY 33 8.760 10.700 -7.964 17 H LEU 34 H LEU 34 5.884 9.786 -9.025 18 HA LEU 34 HA LEU 34 6.484 7.248 -10.440 19 HB2 LEU 34 HB2 LEU 34 5.204 7.583 -7.695 20 HB3 LEU 34 HB3 LEU 34 4.870 6.179 -8.668 21 HG LEU 34 HG LEU 34 7.632 6.956 -7.641 22 HD11 LEU 34 HD11 LEU 34 6.101 6.210 -5.869 23 HD12 LEU 34 HD12 LEU 34 7.359 5.001 -6.175 24 HD13 LEU 34 HD13 LEU 34 5.711 4.748 -6.798 25 HD21 LEU 34 HD21 LEU 34 8.266 4.658 -8.369 26 HD22 LEU 34 HD22 LEU 34 7.834 5.675 -9.741 27 HD23 LEU 34 HD23 LEU 34 6.677 4.464 -9.132 28 HA PRO 35 HA PRO 35 2.577 8.125 -12.452 29 HB2 PRO 35 HB2 PRO 35 1.219 5.689 -12.371 30 HB3 PRO 35 HB3 PRO 35 2.507 6.118 -13.530 31 HG2 PRO 35 HG2 PRO 35 2.766 4.583 -10.931 32 HG3 PRO 35 HG3 PRO 35 3.459 4.180 -12.536 33 HD2 PRO 35 HD2 PRO 35 4.988 5.379 -10.674 34 HD3 PRO 35 HD3 PRO 35 5.078 5.929 -12.362 35 H THR 36 H THR 36 0.243 8.292 -12.142 36 HA THR 36 HA THR 36 -0.464 8.592 -9.230 37 HB THR 36 HB THR 36 -0.013 10.692 -10.386 38 HG1 THR 36 HG1 THR 36 -1.476 10.895 -8.792 39 HG21 THR 36 HG21 THR 36 -1.629 11.558 -12.058 40 HG22 THR 36 HG22 THR 36 -2.403 9.970 -12.148 41 HG23 THR 36 HG23 THR 36 -0.722 10.180 -12.687 42 H THR 37 H THR 37 -1.553 6.937 -12.094 43 HA THR 37 HA THR 37 -4.320 6.859 -11.099 44 HB THR 37 HB THR 37 -4.752 5.308 -12.962 45 HG1 THR 37 HG1 THR 37 -3.146 5.157 -14.561 46 HG21 THR 37 HG21 THR 37 -5.002 7.787 -13.185 47 HG22 THR 37 HG22 THR 37 -4.573 7.000 -14.710 48 HG23 THR 37 HG23 THR 37 -3.338 7.880 -13.798 49 H LEU 38 H LEU 38 -5.118 5.422 -9.709 50 HA LEU 38 HA LEU 38 -3.608 3.656 -8.266 51 HB2 LEU 38 HB2 LEU 38 -6.333 4.335 -8.401 52 HB3 LEU 38 HB3 LEU 38 -6.313 2.575 -8.524 53 HG LEU 38 HG LEU 38 -5.111 4.238 -6.321 54 HD11 LEU 38 HD11 LEU 38 -6.868 3.262 -4.935 55 HD12 LEU 38 HD12 LEU 38 -7.500 2.360 -6.324 56 HD13 LEU 38 HD13 LEU 38 -7.572 4.139 -6.295 57 HD21 LEU 38 HD21 LEU 38 -4.797 2.059 -5.133 58 HD22 LEU 38 HD22 LEU 38 -3.779 2.172 -6.570 59 HD23 LEU 38 HD23 LEU 38 -5.264 1.202 -6.619 60 H GLY 39 H GLY 39 -5.374 2.661 -11.266 61 HA2 GLY 39 HA2 GLY 39 -4.736 -0.046 -11.337 62 HA3 GLY 39 HA3 GLY 39 -4.789 0.985 -12.766 63 H LYS 40 H LYS 40 -2.478 2.622 -12.268 64 HA LYS 40 HA LYS 40 -0.316 0.805 -13.043 65 HB2 LYS 40 HB2 LYS 40 -0.415 3.798 -12.447 66 HB3 LYS 40 HB3 LYS 40 1.046 2.928 -12.935 67 HG2 LYS 40 HG2 LYS 40 -0.061 2.218 -15.032 68 HG3 LYS 40 HG3 LYS 40 -1.505 3.139 -14.595 69 HD2 LYS 40 HD2 LYS 40 -0.207 5.237 -14.588 70 HD3 LYS 40 HD3 LYS 40 1.286 4.335 -14.935 71 HE2 LYS 40 HE2 LYS 40 0.346 3.566 -17.079 72 HE3 LYS 40 HE3 LYS 40 -1.159 4.426 -16.747 73 HZ1 LYS 40 HZ1 LYS 40 1.434 5.850 -16.852 74 HZ2 LYS 40 HZ2 LYS 40 -0.078 6.486 -16.959 75 HZ3 LYS 40 HZ3 LYS 40 0.558 5.607 -18.203 76 H LEU 41 H LEU 41 -1.094 2.679 -10.066 77 HA LEU 41 HA LEU 41 1.275 1.818 -8.691 78 HB2 LEU 41 HB2 LEU 41 -0.108 3.723 -7.914 79 HB3 LEU 41 HB3 LEU 41 -1.399 2.592 -7.480 80 HG LEU 41 HG LEU 41 0.209 1.457 -5.892 81 HD11 LEU 41 HD11 LEU 41 2.386 2.146 -6.810 82 HD12 LEU 41 HD12 LEU 41 2.211 2.722 -5.151 83 HD13 LEU 41 HD13 LEU 41 1.992 3.859 -6.489 84 HD21 LEU 41 HD21 LEU 41 -1.393 3.156 -5.115 85 HD22 LEU 41 HD22 LEU 41 -0.131 4.398 -5.312 86 HD23 LEU 41 HD23 LEU 41 0.102 3.075 -4.147 87 H ASP 42 H ASP 42 -1.996 0.295 -8.837 88 HA ASP 42 HA ASP 42 -1.412 -1.942 -7.156 89 HB2 ASP 42 HB2 ASP 42 -3.674 -1.430 -7.754 90 HB3 ASP 42 HB3 ASP 42 -3.309 -1.475 -9.479 91 H GLU 43 H GLU 43 -0.730 -1.494 -10.638 92 HA GLU 43 HA GLU 43 0.259 -4.181 -11.053 93 HB2 GLU 43 HB2 GLU 43 -0.359 -2.577 -12.883 94 HB3 GLU 43 HB3 GLU 43 1.074 -1.617 -12.500 95 HG2 GLU 43 HG2 GLU 43 2.519 -3.563 -13.006 96 HG3 GLU 43 HG3 GLU 43 1.087 -4.547 -13.332 97 H ARG 44 H ARG 44 1.909 -1.108 -10.149 98 HA ARG 44 HA ARG 44 4.513 -2.244 -9.773 99 HB2 ARG 44 HB2 ARG 44 3.116 0.263 -8.756 100 HB3 ARG 44 HB3 ARG 44 4.765 -0.153 -8.298 101 HG2 ARG 44 HG2 ARG 44 5.415 -0.283 -10.680 102 HG3 ARG 44 HG3 ARG 44 3.776 0.194 -11.162 103 HD2 ARG 44 HD2 ARG 44 4.056 2.342 -9.976 104 HD3 ARG 44 HD3 ARG 44 5.663 1.835 -9.433 105 HE ARG 44 HE ARG 44 4.848 2.358 -12.288 106 HH11 ARG 44 HH11 ARG 44 7.554 1.833 -10.086 107 HH12 ARG 44 HH12 ARG 44 8.712 2.172 -11.355 108 HH21 ARG 44 HH21 ARG 44 6.282 2.713 -13.739 109 HH22 ARG 44 HH22 ARG 44 8.010 2.615 -13.408 110 H LEU 45 H LEU 45 1.820 -1.858 -7.426 111 HA LEU 45 HA LEU 45 3.361 -2.834 -5.213 112 HB2 LEU 45 HB2 LEU 45 0.388 -2.586 -5.698 113 HB3 LEU 45 HB3 LEU 45 1.056 -3.171 -4.179 114 HG LEU 45 HG LEU 45 1.700 -0.434 -5.368 115 HD11 LEU 45 HD11 LEU 45 -0.188 -1.244 -3.127 116 HD12 LEU 45 HD12 LEU 45 -0.653 -0.611 -4.719 117 HD13 LEU 45 HD13 LEU 45 0.233 0.422 -3.582 118 HD21 LEU 45 HD21 LEU 45 3.502 -1.145 -3.904 119 HD22 LEU 45 HD22 LEU 45 2.334 -1.613 -2.642 120 HD23 LEU 45 HD23 LEU 45 2.533 0.086 -3.101 121 H ARG 46 H ARG 46 1.353 -4.569 -7.597 122 HA ARG 46 HA ARG 46 1.773 -7.186 -6.332 123 HB2 ARG 46 HB2 ARG 46 0.881 -6.394 -9.134 124 HB3 ARG 46 HB3 ARG 46 0.978 -8.062 -8.536 125 HG2 ARG 46 HG2 ARG 46 -0.636 -7.554 -6.736 126 HG3 ARG 46 HG3 ARG 46 -0.722 -5.875 -7.263 127 HD2 ARG 46 HD2 ARG 46 -1.475 -6.843 -9.560 128 HD3 ARG 46 HD3 ARG 46 -1.783 -8.341 -8.668 129 HE ARG 46 HE ARG 46 -3.013 -5.644 -8.076 130 HH11 ARG 46 HH11 ARG 46 -3.601 -9.180 -8.044 131 HH12 ARG 46 HH12 ARG 46 -5.281 -8.852 -7.673 132 HH21 ARG 46 HH21 ARG 46 -4.915 -5.481 -7.357 133 HH22 ARG 46 HH22 ARG 46 -5.963 -6.899 -7.069 134 H ASN 47 H ASN 47 3.596 -5.204 -8.668 135 HA ASN 47 HA ASN 47 5.668 -7.224 -9.042 136 HB2 ASN 47 HB2 ASN 47 5.763 -4.215 -9.370 137 HB3 ASN 47 HB3 ASN 47 7.079 -5.300 -9.730 138 HD21 ASN 47 HD21 ASN 47 5.935 -3.547 -11.567 139 HD22 ASN 47 HD22 ASN 47 5.173 -4.494 -12.844 140 H TYR 48 H TYR 48 5.387 -4.502 -6.686 141 HA TYR 48 HA TYR 48 7.720 -5.046 -5.288 142 HB2 TYR 48 HB2 TYR 48 5.144 -3.711 -4.639 143 HB3 TYR 48 HB3 TYR 48 6.064 -4.225 -3.305 144 HD1 TYR 48 HD1 TYR 48 8.100 -3.102 -2.628 145 HD2 TYR 48 HD2 TYR 48 5.861 -1.747 -6.033 146 HE1 TYR 48 HE1 TYR 48 9.165 -0.849 -2.449 147 HE2 TYR 48 HE2 TYR 48 6.937 0.470 -5.876 148 HH TYR 48 HH TYR 48 8.495 1.735 -4.782 149 H LEU 49 H LEU 49 4.628 -6.768 -4.929 150 HA LEU 49 HA LEU 49 5.544 -8.341 -2.696 151 HB2 LEU 49 HB2 LEU 49 3.364 -8.568 -4.780 152 HB3 LEU 49 HB3 LEU 49 3.750 -10.007 -3.850 153 HG LEU 49 HG LEU 49 3.173 -7.372 -2.491 154 HD11 LEU 49 HD11 LEU 49 0.881 -8.307 -2.101 155 HD12 LEU 49 HD12 LEU 49 1.258 -9.653 -3.193 156 HD13 LEU 49 HD13 LEU 49 1.186 -7.986 -3.817 157 HD21 LEU 49 HD21 LEU 49 4.285 -9.040 -1.100 158 HD22 LEU 49 HD22 LEU 49 3.082 -10.260 -1.537 159 HD23 LEU 49 HD23 LEU 49 2.620 -8.838 -0.572 160 H LYS 50 H LYS 50 5.676 -9.157 -6.213 161 HA LYS 50 HA LYS 50 7.048 -11.669 -5.707 162 HB2 LYS 50 HB2 LYS 50 7.216 -9.992 -8.225 163 HB3 LYS 50 HB3 LYS 50 7.532 -11.718 -8.018 164 HG2 LYS 50 HG2 LYS 50 5.239 -12.266 -7.778 165 HG3 LYS 50 HG3 LYS 50 4.743 -10.586 -7.559 166 HD2 LYS 50 HD2 LYS 50 5.998 -11.637 -10.127 167 HD3 LYS 50 HD3 LYS 50 4.250 -11.544 -9.851 168 HE2 LYS 50 HE2 LYS 50 4.295 -9.147 -9.626 169 HE3 LYS 50 HE3 LYS 50 6.061 -9.115 -9.566 170 HZ1 LYS 50 HZ1 LYS 50 5.281 -8.457 -11.721 171 HZ2 LYS 50 HZ2 LYS 50 4.498 -9.901 -11.946 172 HZ3 LYS 50 HZ3 LYS 50 6.130 -9.864 -11.853 173 H LYS 51 H LYS 51 8.202 -8.436 -6.541 174 HA LYS 51 HA LYS 51 11.037 -8.864 -6.625 175 HB2 LYS 51 HB2 LYS 51 9.313 -6.478 -5.913 176 HB3 LYS 51 HB3 LYS 51 11.057 -6.400 -6.095 177 HG2 LYS 51 HG2 LYS 51 9.358 -7.380 -8.401 178 HG3 LYS 51 HG3 LYS 51 9.549 -5.657 -8.063 179 HD2 LYS 51 HD2 LYS 51 12.022 -5.911 -8.121 180 HD3 LYS 51 HD3 LYS 51 11.806 -7.627 -8.551 181 HE2 LYS 51 HE2 LYS 51 10.606 -6.999 -10.583 182 HE3 LYS 51 HE3 LYS 51 10.719 -5.277 -10.159 183 HZ1 LYS 51 HZ1 LYS 51 13.180 -6.865 -10.362 184 HZ2 LYS 51 HZ2 LYS 51 12.466 -6.335 -11.757 185 HZ3 LYS 51 HZ3 LYS 51 12.978 -5.260 -10.612 186 H GLY 52 H GLY 52 8.819 -8.417 -3.899 187 HA2 GLY 52 HA2 GLY 52 11.097 -7.768 -2.113 188 HA3 GLY 52 HA3 GLY 52 9.467 -7.139 -2.030 189 H THR 53 H THR 53 8.615 -10.239 -2.392 190 HA THR 53 HA THR 53 9.154 -11.017 0.441 191 HB THR 53 HB THR 53 7.053 -12.072 0.527 192 HG1 THR 53 HG1 THR 53 6.700 -11.275 -2.217 193 HG21 THR 53 HG21 THR 53 5.491 -10.295 0.400 194 HG22 THR 53 HG22 THR 53 6.508 -9.402 -0.767 195 HG23 THR 53 HG23 THR 53 7.047 -9.632 0.904 196 H LYS 54 H LYS 54 9.279 -13.271 0.932 197 HA LYS 54 HA LYS 54 10.742 -14.808 -1.002 198 HB2 LYS 54 HB2 LYS 54 9.476 -15.728 1.596 199 HB3 LYS 54 HB3 LYS 54 10.675 -16.622 0.663 200 HG2 LYS 54 HG2 LYS 54 12.349 -14.876 0.981 201 HG3 LYS 54 HG3 LYS 54 11.197 -13.840 1.798 202 HD2 LYS 54 HD2 LYS 54 12.340 -16.427 2.830 203 HD3 LYS 54 HD3 LYS 54 12.635 -14.778 3.423 204 HE2 LYS 54 HE2 LYS 54 10.268 -14.596 4.132 205 HE3 LYS 54 HE3 LYS 54 9.976 -16.253 3.561 206 HZ1 LYS 54 HZ1 LYS 54 11.829 -15.464 5.735 207 HZ2 LYS 54 HZ2 LYS 54 11.732 -16.972 5.111 208 HZ3 LYS 54 HZ3 LYS 54 10.431 -16.321 5.902 209 H ASN 55 H ASN 55 7.357 -14.813 0.065 210 HA ASN 55 HA ASN 55 6.616 -16.082 -2.485 211 HB2 ASN 55 HB2 ASN 55 6.763 -17.969 -0.898 212 HB3 ASN 55 HB3 ASN 55 5.812 -17.078 0.293 213 HD21 ASN 55 HD21 ASN 55 4.119 -18.553 0.423 214 HD22 ASN 55 HD22 ASN 55 3.031 -18.872 -0.929 215 H SER 56 H SER 56 5.361 -14.655 -3.421 216 HA SER 56 HA SER 56 3.589 -12.829 -2.033 217 HB2 SER 56 HB2 SER 56 2.899 -12.222 -4.375 218 HB3 SER 56 HB3 SER 56 4.639 -12.120 -4.047 219 HG SER 56 HG SER 56 3.234 -13.861 -5.724 220 H ALA 57 H ALA 57 3.156 -16.114 -3.087 221 HA ALA 57 HA ALA 57 0.438 -15.955 -3.944 222 HB1 ALA 57 HB1 ALA 57 0.646 -18.359 -4.160 223 HB2 ALA 57 HB2 ALA 57 2.028 -18.398 -3.065 224 HB3 ALA 57 HB3 ALA 57 2.173 -17.624 -4.659 225 H GLN 58 H GLN 58 1.301 -15.414 -0.859 226 HA GLN 58 HA GLN 58 -0.909 -16.942 0.435 227 HB2 GLN 58 HB2 GLN 58 0.291 -16.572 2.496 228 HB3 GLN 58 HB3 GLN 58 1.413 -17.227 1.301 229 HG2 GLN 58 HG2 GLN 58 2.241 -14.862 0.867 230 HG3 GLN 58 HG3 GLN 58 1.185 -14.290 2.148 231 HE21 GLN 58 HE21 GLN 58 4.269 -14.798 1.467 232 HE22 GLN 58 HE22 GLN 58 4.847 -15.345 3.011 233 H PHE 59 H PHE 59 -0.320 -13.827 -0.798 234 HA PHE 59 HA PHE 59 -1.680 -12.372 1.371 235 HB2 PHE 59 HB2 PHE 59 -0.285 -11.458 -1.139 236 HB3 PHE 59 HB3 PHE 59 -1.119 -10.388 -0.015 237 HD1 PHE 59 HD1 PHE 59 -0.355 -10.178 2.371 238 HD2 PHE 59 HD2 PHE 59 1.930 -12.354 -0.549 239 HE1 PHE 59 HE1 PHE 59 1.621 -10.099 3.865 240 HE2 PHE 59 HE2 PHE 59 3.922 -12.253 0.933 241 HZ PHE 59 HZ PHE 59 3.772 -11.108 3.127 242 H GLU 60 H GLU 60 -3.586 -11.262 1.229 243 HA GLU 60 HA GLU 60 -5.447 -12.196 -0.949 244 HB2 GLU 60 HB2 GLU 60 -5.829 -13.517 0.992 245 HB3 GLU 60 HB3 GLU 60 -5.841 -12.105 2.063 246 HG2 GLU 60 HG2 GLU 60 -7.919 -11.319 1.187 247 HG3 GLU 60 HG3 GLU 60 -7.835 -12.395 -0.197 248 H LYS 61 H LYS 61 -4.502 -9.521 1.187 249 HA LYS 61 HA LYS 61 -5.646 -7.728 -0.793 250 HB2 LYS 61 HB2 LYS 61 -7.076 -6.431 0.613 251 HB3 LYS 61 HB3 LYS 61 -7.587 -8.106 0.741 252 HG2 LYS 61 HG2 LYS 61 -6.456 -8.314 2.932 253 HG3 LYS 61 HG3 LYS 61 -5.841 -6.658 2.800 254 HD2 LYS 61 HD2 LYS 61 -7.992 -5.711 2.961 255 HD3 LYS 61 HD3 LYS 61 -8.799 -7.243 2.641 256 HE2 LYS 61 HE2 LYS 61 -6.956 -6.839 5.014 257 HE3 LYS 61 HE3 LYS 61 -8.663 -6.368 5.106 258 HZ1 LYS 61 HZ1 LYS 61 -7.906 -8.770 5.860 259 HZ2 LYS 61 HZ2 LYS 61 -8.130 -9.138 4.282 260 HZ3 LYS 61 HZ3 LYS 61 -9.349 -8.513 5.144 261 H MET 62 H MET 62 -5.339 -5.492 -0.222 262 HA MET 62 HA MET 62 -3.070 -4.814 1.498 263 HB2 MET 62 HB2 MET 62 -1.764 -3.721 -0.218 264 HB3 MET 62 HB3 MET 62 -1.992 -5.420 -0.629 265 HG2 MET 62 HG2 MET 62 -3.731 -4.834 -2.257 266 HG3 MET 62 HG3 MET 62 -3.588 -3.124 -1.830 267 HE1 MET 62 HE1 MET 62 -3.473 -4.259 -4.783 268 HE2 MET 62 HE2 MET 62 -2.105 -3.374 -5.481 269 HE3 MET 62 HE3 MET 62 -3.271 -2.523 -4.445 270 H VAL 63 H VAL 63 -2.802 -2.523 1.793 271 HA VAL 63 HA VAL 63 -4.961 -0.739 0.894 272 HB VAL 63 HB VAL 63 -5.842 -1.802 2.945 273 HG11 VAL 63 HG11 VAL 63 -4.855 -1.868 4.946 274 HG12 VAL 63 HG12 VAL 63 -3.694 -0.529 4.578 275 HG13 VAL 63 HG13 VAL 63 -3.485 -2.124 3.871 276 HG21 VAL 63 HG21 VAL 63 -5.095 1.110 3.460 277 HG22 VAL 63 HG22 VAL 63 -6.384 0.173 4.253 278 HG23 VAL 63 HG23 VAL 63 -6.499 0.537 2.527 279 H ILE 64 H ILE 64 -4.340 1.345 0.741 280 HA ILE 64 HA ILE 64 -1.383 1.857 0.922 281 HB ILE 64 HB ILE 64 -3.436 2.640 -1.189 282 HG12 ILE 64 HG12 ILE 64 -1.256 0.591 -1.661 283 HG13 ILE 64 HG13 ILE 64 -2.829 0.090 -1.064 284 HG21 ILE 64 HG21 ILE 64 -1.505 4.211 -1.042 285 HG22 ILE 64 HG22 ILE 64 -1.521 3.318 -2.549 286 HG23 ILE 64 HG23 ILE 64 -0.391 2.838 -1.271 287 HD11 ILE 64 HD11 ILE 64 -3.941 1.134 -3.005 288 HD12 ILE 64 HD12 ILE 64 -2.825 -0.172 -3.436 289 HD13 ILE 64 HD13 ILE 64 -2.344 1.515 -3.690 290 H LEU 65 H LEU 65 -0.752 3.743 1.842 291 HA LEU 65 HA LEU 65 -2.771 5.888 2.312 292 HB2 LEU 65 HB2 LEU 65 -0.470 5.329 4.193 293 HB3 LEU 65 HB3 LEU 65 -1.860 6.376 4.432 294 HG LEU 65 HG LEU 65 -1.864 3.340 4.426 295 HD11 LEU 65 HD11 LEU 65 -0.965 4.502 6.487 296 HD12 LEU 65 HD12 LEU 65 -2.402 3.513 6.782 297 HD13 LEU 65 HD13 LEU 65 -2.539 5.279 6.674 298 HD21 LEU 65 HD21 LEU 65 -4.040 4.132 3.551 299 HD22 LEU 65 HD22 LEU 65 -4.172 5.279 4.889 300 HD23 LEU 65 HD23 LEU 65 -4.215 3.517 5.188 301 H THR 66 H THR 66 -2.265 7.858 1.623 302 HA THR 66 HA THR 66 0.483 8.378 0.478 303 HB THR 66 HB THR 66 -0.594 9.672 -1.241 304 HG1 THR 66 HG1 THR 66 -2.362 10.495 -0.198 305 HG21 THR 66 HG21 THR 66 -0.446 7.219 -1.633 306 HG22 THR 66 HG22 THR 66 -1.776 8.008 -2.495 307 HG23 THR 66 HG23 THR 66 -2.117 7.052 -1.034 308 H GLU 67 H GLU 67 0.909 10.814 0.108 309 HA GLU 67 HA GLU 67 0.411 12.537 2.353 310 HB2 GLU 67 HB2 GLU 67 0.516 13.482 -0.518 311 HB3 GLU 67 HB3 GLU 67 0.853 14.417 0.918 312 HG2 GLU 67 HG2 GLU 67 2.939 13.214 1.279 313 HG3 GLU 67 HG3 GLU 67 2.592 12.141 -0.073 314 H ASN 68 H ASN 68 -1.053 14.497 2.250 315 HA ASN 68 HA ASN 68 -3.132 15.391 2.321 316 HB2 ASN 68 HB2 ASN 68 -3.445 14.136 -0.422 317 HB3 ASN 68 HB3 ASN 68 -4.377 15.476 0.180 318 HD21 ASN 68 HD21 ASN 68 -2.007 14.918 -1.925 319 HD22 ASN 68 HD22 ASN 68 -0.850 16.215 -1.566 320 H LYS 69 H LYS 69 -2.667 12.826 3.453 321 HA LYS 69 HA LYS 69 -3.524 10.918 4.268 322 HB2 LYS 69 HB2 LYS 69 -5.774 12.832 4.970 323 HB3 LYS 69 HB3 LYS 69 -5.441 11.277 5.747 324 HG2 LYS 69 HG2 LYS 69 -3.023 12.275 6.112 325 HG3 LYS 69 HG3 LYS 69 -3.836 13.830 5.904 326 HD2 LYS 69 HD2 LYS 69 -4.485 11.632 7.912 327 HD3 LYS 69 HD3 LYS 69 -3.666 13.156 8.276 328 HE2 LYS 69 HE2 LYS 69 -5.621 14.440 7.894 329 HE3 LYS 69 HE3 LYS 69 -6.458 13.114 7.069 330 HZ1 LYS 69 HZ1 LYS 69 -5.663 12.916 9.903 331 HZ2 LYS 69 HZ2 LYS 69 -6.688 11.952 9.057 332 HZ3 LYS 69 HZ3 LYS 69 -7.164 13.468 9.431 333 H GLY 70 H GLY 70 -3.988 10.854 1.515 334 HA2 GLY 70 HA2 GLY 70 -6.562 9.667 0.945 335 HA3 GLY 70 HA3 GLY 70 -5.072 9.406 0.032 336 H TYR 71 H TYR 71 -7.236 7.606 1.005 337 HA TYR 71 HA TYR 71 -5.588 5.385 2.085 338 HB2 TYR 71 HB2 TYR 71 -6.649 6.329 4.042 339 HB3 TYR 71 HB3 TYR 71 -8.199 6.427 3.233 340 HD1 TYR 71 HD1 TYR 71 -9.326 4.153 2.508 341 HD2 TYR 71 HD2 TYR 71 -6.272 4.494 5.561 342 HE1 TYR 71 HE1 TYR 71 -10.088 2.036 3.537 343 HE2 TYR 71 HE2 TYR 71 -7.113 2.451 6.621 344 HH TYR 71 HH TYR 71 -8.703 0.799 6.605 345 H TYR 72 H TYR 72 -5.934 3.599 0.881 346 HA TYR 72 HA TYR 72 -8.484 3.180 -0.612 347 HB2 TYR 72 HB2 TYR 72 -5.741 3.006 -1.920 348 HB3 TYR 72 HB3 TYR 72 -7.305 2.814 -2.682 349 HD1 TYR 72 HD1 TYR 72 -4.863 5.235 -1.281 350 HD2 TYR 72 HD2 TYR 72 -8.577 4.764 -3.438 351 HE1 TYR 72 HE1 TYR 72 -4.777 7.630 -1.964 352 HE2 TYR 72 HE2 TYR 72 -8.452 7.137 -4.171 353 HH TYR 72 HH TYR 72 -7.297 9.116 -4.030 354 H THR 73 H THR 73 -9.113 1.046 -0.451 355 HA THR 73 HA THR 73 -7.064 -1.016 0.255 356 HB THR 73 HB THR 73 -10.069 -1.315 0.430 357 HG1 THR 73 HG1 THR 73 -9.753 0.270 1.750 358 HG21 THR 73 HG21 THR 73 -7.756 -2.700 1.847 359 HG22 THR 73 HG22 THR 73 -8.814 -3.415 0.604 360 HG23 THR 73 HG23 THR 73 -9.481 -2.968 2.180 361 H VAL 74 H VAL 74 -6.794 -2.832 -1.003 362 HA VAL 74 HA VAL 74 -8.552 -3.310 -3.358 363 HB VAL 74 HB VAL 74 -5.516 -3.027 -3.528 364 HG11 VAL 74 HG11 VAL 74 -7.576 -3.768 -5.652 365 HG12 VAL 74 HG12 VAL 74 -6.275 -4.806 -5.017 366 HG13 VAL 74 HG13 VAL 74 -5.868 -3.388 -5.971 367 HG21 VAL 74 HG21 VAL 74 -7.723 -1.327 -4.758 368 HG22 VAL 74 HG22 VAL 74 -5.993 -1.210 -5.168 369 HG23 VAL 74 HG23 VAL 74 -6.537 -0.806 -3.542 370 H TYR 75 H TYR 75 -9.114 -5.437 -3.330 371 HA TYR 75 HA TYR 75 -7.557 -7.366 -1.775 372 HB2 TYR 75 HB2 TYR 75 -10.089 -7.473 -3.373 373 HB3 TYR 75 HB3 TYR 75 -9.227 -8.962 -3.031 374 HD1 TYR 75 HD1 TYR 75 -10.585 -5.912 -1.254 375 HD2 TYR 75 HD2 TYR 75 -9.369 -10.042 -0.936 376 HE1 TYR 75 HE1 TYR 75 -11.519 -6.020 1.047 377 HE2 TYR 75 HE2 TYR 75 -10.298 -10.139 1.342 378 HH TYR 75 HH TYR 75 -11.440 -9.028 2.979 379 H LEU 76 H LEU 76 -6.431 -9.077 -2.459 380 HA LEU 76 HA LEU 76 -5.115 -8.883 -5.126 381 HB2 LEU 76 HB2 LEU 76 -4.205 -10.072 -2.477 382 HB3 LEU 76 HB3 LEU 76 -3.274 -10.130 -3.964 383 HG LEU 76 HG LEU 76 -4.100 -7.529 -2.587 384 HD11 LEU 76 HD11 LEU 76 -1.469 -9.045 -2.561 385 HD12 LEU 76 HD12 LEU 76 -2.566 -8.797 -1.181 386 HD13 LEU 76 HD13 LEU 76 -1.736 -7.411 -1.910 387 HD21 LEU 76 HD21 LEU 76 -3.694 -7.161 -4.952 388 HD22 LEU 76 HD22 LEU 76 -2.204 -8.137 -4.897 389 HD23 LEU 76 HD23 LEU 76 -2.295 -6.577 -4.057 390 H ASN 77 H ASN 77 -7.289 -10.945 -3.394 391 HA ASN 77 HA ASN 77 -6.815 -13.416 -4.798 392 HB2 ASN 77 HB2 ASN 77 -9.370 -12.097 -3.760 393 HB3 ASN 77 HB3 ASN 77 -9.349 -13.693 -4.486 394 HD21 ASN 77 HD21 ASN 77 -10.395 -13.452 -2.069 395 HD22 ASN 77 HD22 ASN 77 -9.306 -14.098 -0.833 396 H THR 78 H THR 78 -7.715 -10.346 -6.057 397 HA THR 78 HA THR 78 -8.601 -11.401 -8.659 398 HB THR 78 HB THR 78 -10.490 -9.824 -8.650 399 HG1 THR 78 HG1 THR 78 -11.082 -8.863 -6.650 400 HG21 THR 78 HG21 THR 78 -10.735 -11.496 -6.114 401 HG22 THR 78 HG22 THR 78 -10.895 -12.162 -7.754 402 HG23 THR 78 HG23 THR 78 -12.032 -10.931 -7.182 403 HA PRO 79 HA PRO 79 -6.461 -7.566 -10.008 404 HB2 PRO 79 HB2 PRO 79 -8.691 -7.386 -12.023 405 HB3 PRO 79 HB3 PRO 79 -6.925 -7.254 -12.272 406 HG2 PRO 79 HG2 PRO 79 -8.202 -9.533 -12.974 407 HG3 PRO 79 HG3 PRO 79 -6.640 -9.626 -12.077 408 HD2 PRO 79 HD2 PRO 79 -9.431 -9.805 -10.926 409 HD3 PRO 79 HD3 PRO 79 -8.036 -10.914 -10.700 410 H LEU 80 H LEU 80 -6.908 -5.216 -10.017 411 HA LEU 80 HA LEU 80 -8.972 -4.530 -8.124 412 HB2 LEU 80 HB2 LEU 80 -8.122 -2.484 -7.930 413 HB3 LEU 80 HB3 LEU 80 -6.693 -3.374 -8.413 414 HG LEU 80 HG LEU 80 -8.392 -1.612 -10.252 415 HD11 LEU 80 HD11 LEU 80 -6.680 0.046 -10.041 416 HD12 LEU 80 HD12 LEU 80 -5.662 -1.035 -9.066 417 HD13 LEU 80 HD13 LEU 80 -7.173 -0.409 -8.405 418 HD21 LEU 80 HD21 LEU 80 -7.187 -3.301 -11.552 419 HD22 LEU 80 HD22 LEU 80 -5.686 -2.946 -10.674 420 HD23 LEU 80 HD23 LEU 80 -6.385 -1.734 -11.750 421 H ALA 81 H ALA 81 -10.769 -3.227 -8.293 422 HA ALA 81 HA ALA 81 -12.515 -3.807 -10.414 423 HB1 ALA 81 HB1 ALA 81 -12.626 -1.593 -8.313 424 HB2 ALA 81 HB2 ALA 81 -13.212 -3.260 -8.117 425 HB3 ALA 81 HB3 ALA 81 -14.005 -2.169 -9.269 426 H GLU 82 H GLU 82 -13.500 -2.532 -12.075 427 HA GLU 82 HA GLU 82 -11.794 -0.709 -13.484 428 HB2 GLU 82 HB2 GLU 82 -13.541 -0.364 -15.007 429 HB3 GLU 82 HB3 GLU 82 -13.590 -2.059 -14.544 430 HG2 GLU 82 HG2 GLU 82 -15.517 -1.617 -13.053 431 HG3 GLU 82 HG3 GLU 82 -15.452 0.103 -13.453 432 H ASP 83 H ASP 83 -13.935 -0.133 -10.859 433 HA ASP 83 HA ASP 83 -14.351 2.696 -11.015 434 HB2 ASP 83 HB2 ASP 83 -14.103 0.715 -8.715 435 HB3 ASP 83 HB3 ASP 83 -14.645 2.387 -8.515 436 H ARG 84 H ARG 84 -11.512 0.833 -10.307 437 HA ARG 84 HA ARG 84 -10.060 3.171 -9.114 438 HB2 ARG 84 HB2 ARG 84 -9.700 0.154 -8.807 439 HB3 ARG 84 HB3 ARG 84 -8.628 1.377 -8.129 440 HG2 ARG 84 HG2 ARG 84 -10.468 2.297 -6.778 441 HG3 ARG 84 HG3 ARG 84 -11.570 1.063 -7.430 442 HD2 ARG 84 HD2 ARG 84 -10.266 -0.729 -6.433 443 HD3 ARG 84 HD3 ARG 84 -8.988 0.397 -5.951 444 HE ARG 84 HE ARG 84 -10.657 1.509 -4.446 445 HH11 ARG 84 HH11 ARG 84 -11.143 -1.959 -5.070 446 HH12 ARG 84 HH12 ARG 84 -12.166 -2.069 -3.661 447 HH21 ARG 84 HH21 ARG 84 -11.908 1.271 -2.858 448 HH22 ARG 84 HH22 ARG 84 -12.748 -0.241 -2.506 449 H LYS 85 H LYS 85 -10.168 1.339 -12.001 450 HA LYS 85 HA LYS 85 -7.357 0.838 -12.379 451 HB2 LYS 85 HB2 LYS 85 -9.843 0.775 -14.080 452 HB3 LYS 85 HB3 LYS 85 -8.261 0.749 -14.891 453 HG2 LYS 85 HG2 LYS 85 -7.544 -1.167 -13.568 454 HG3 LYS 85 HG3 LYS 85 -9.097 -1.193 -12.696 455 HD2 LYS 85 HD2 LYS 85 -10.279 -1.687 -14.777 456 HD3 LYS 85 HD3 LYS 85 -8.783 -1.480 -15.706 457 HE2 LYS 85 HE2 LYS 85 -7.758 -3.390 -14.505 458 HE3 LYS 85 HE3 LYS 85 -9.239 -3.611 -13.565 459 HZ1 LYS 85 HZ1 LYS 85 -9.104 -5.091 -15.497 460 HZ2 LYS 85 HZ2 LYS 85 -9.070 -3.807 -16.527 461 HZ3 LYS 85 HZ3 LYS 85 -10.415 -4.115 -15.601 462 H ASN 86 H ASN 86 -9.184 3.744 -12.849 463 HA ASN 86 HA ASN 86 -6.839 5.045 -14.183 464 HB2 ASN 86 HB2 ASN 86 -9.805 5.181 -14.876 465 HB3 ASN 86 HB3 ASN 86 -8.566 6.173 -15.610 466 HD21 ASN 86 HD21 ASN 86 -7.073 5.188 -17.180 467 HD22 ASN 86 HD22 ASN 86 -7.489 3.590 -17.807 468 H VAL 87 H VAL 87 -8.506 5.126 -11.339 469 HA VAL 87 HA VAL 87 -9.164 7.942 -11.153 470 HB VAL 87 HB VAL 87 -10.307 6.056 -9.955 471 HG11 VAL 87 HG11 VAL 87 -9.487 5.261 -7.825 472 HG12 VAL 87 HG12 VAL 87 -7.985 6.187 -8.002 473 HG13 VAL 87 HG13 VAL 87 -8.344 4.847 -9.112 474 HG21 VAL 87 HG21 VAL 87 -9.331 8.314 -8.161 475 HG22 VAL 87 HG22 VAL 87 -10.786 7.323 -7.936 476 HG23 VAL 87 HG23 VAL 87 -10.677 8.411 -9.327 477 H GLU 88 H GLU 88 -8.033 9.619 -10.243 478 HA GLU 88 HA GLU 88 -5.129 9.244 -9.997 479 HB2 GLU 88 HB2 GLU 88 -6.917 11.697 -9.959 480 HB3 GLU 88 HB3 GLU 88 -5.169 11.757 -9.683 481 HG2 GLU 88 HG2 GLU 88 -4.775 10.663 -11.879 482 HG3 GLU 88 HG3 GLU 88 -6.515 10.636 -12.181 483 H LEU 89 H LEU 89 -3.986 9.012 -8.299 484 HA LEU 89 HA LEU 89 -4.935 8.702 -5.642 485 HB2 LEU 89 HB2 LEU 89 -2.198 9.006 -6.939 486 HB3 LEU 89 HB3 LEU 89 -2.372 8.683 -5.227 487 HG LEU 89 HG LEU 89 -3.601 6.844 -7.313 488 HD11 LEU 89 HD11 LEU 89 -1.141 6.982 -7.660 489 HD12 LEU 89 HD12 LEU 89 -1.667 5.403 -7.068 490 HD13 LEU 89 HD13 LEU 89 -0.896 6.561 -5.956 491 HD21 LEU 89 HD21 LEU 89 -2.867 6.548 -4.363 492 HD22 LEU 89 HD22 LEU 89 -3.355 5.208 -5.402 493 HD23 LEU 89 HD23 LEU 89 -4.502 6.518 -5.071 494 H LEU 90 H LEU 90 -4.982 9.974 -3.882 495 HA LEU 90 HA LEU 90 -5.064 12.777 -4.078 496 HB2 LEU 90 HB2 LEU 90 -5.182 10.740 -1.878 497 HB3 LEU 90 HB3 LEU 90 -4.891 12.395 -1.382 498 HG LEU 90 HG LEU 90 -7.214 11.667 -3.203 499 HD11 LEU 90 HD11 LEU 90 -7.467 10.445 -1.098 500 HD12 LEU 90 HD12 LEU 90 -8.628 11.778 -1.177 501 HD13 LEU 90 HD13 LEU 90 -7.173 11.937 -0.166 502 HD21 LEU 90 HD21 LEU 90 -6.589 14.072 -3.186 503 HD22 LEU 90 HD22 LEU 90 -6.661 14.080 -1.411 504 HD23 LEU 90 HD23 LEU 90 -8.129 13.811 -2.369 505 H GLY 91 H GLY 91 -2.201 10.868 -3.402 506 HA2 GLY 91 HA2 GLY 91 -0.531 13.224 -3.644 507 HA3 GLY 91 HA3 GLY 91 -0.625 12.647 -1.988 508 H LYS 92 H LYS 92 1.798 12.609 -2.705 509 HA LYS 92 HA LYS 92 2.920 10.403 -4.104 510 HB2 LYS 92 HB2 LYS 92 3.878 12.605 -3.222 511 HB3 LYS 92 HB3 LYS 92 4.104 11.787 -1.685 512 HG2 LYS 92 HG2 LYS 92 5.880 10.558 -2.438 513 HG3 LYS 92 HG3 LYS 92 5.216 10.359 -4.062 514 HD2 LYS 92 HD2 LYS 92 5.662 12.711 -4.587 515 HD3 LYS 92 HD3 LYS 92 6.346 12.966 -2.966 516 HE2 LYS 92 HE2 LYS 92 8.154 11.366 -3.466 517 HE3 LYS 92 HE3 LYS 92 7.446 11.038 -5.060 518 HZ1 LYS 92 HZ1 LYS 92 8.478 13.686 -4.176 519 HZ2 LYS 92 HZ2 LYS 92 7.863 13.365 -5.646 520 HZ3 LYS 92 HZ3 LYS 92 9.263 12.645 -5.188 521 H MET 93 H MET 93 3.467 8.286 -3.417 522 HA MET 93 HA MET 93 1.895 7.093 -1.328 523 HB2 MET 93 HB2 MET 93 2.771 5.917 -3.342 524 HB3 MET 93 HB3 MET 93 4.410 6.005 -2.676 525 HG2 MET 93 HG2 MET 93 3.704 4.686 -0.699 526 HG3 MET 93 HG3 MET 93 2.042 4.693 -1.281 527 HE1 MET 93 HE1 MET 93 5.447 1.972 -2.881 528 HE2 MET 93 HE2 MET 93 5.494 2.865 -1.348 529 HE3 MET 93 HE3 MET 93 5.640 3.738 -2.897 530 H TYR 94 H TYR 94 2.260 6.906 0.864 531 HA TYR 94 HA TYR 94 5.048 7.439 1.855 532 HB2 TYR 94 HB2 TYR 94 3.476 9.119 2.647 533 HB3 TYR 94 HB3 TYR 94 2.397 7.868 3.249 534 HD1 TYR 94 HD1 TYR 94 6.146 8.386 3.553 535 HD2 TYR 94 HD2 TYR 94 2.397 7.802 5.594 536 HE1 TYR 94 HE1 TYR 94 7.318 8.486 5.730 537 HE2 TYR 94 HE2 TYR 94 3.569 7.965 7.781 538 HH TYR 94 HH TYR 94 7.118 8.531 7.995 539 H LYS 95 H LYS 95 2.185 5.273 2.224 540 HA LYS 95 HA LYS 95 4.069 3.119 2.780 541 HB2 LYS 95 HB2 LYS 95 3.402 4.512 4.992 542 HB3 LYS 95 HB3 LYS 95 1.993 3.481 4.951 543 HG2 LYS 95 HG2 LYS 95 3.209 1.577 5.467 544 HG3 LYS 95 HG3 LYS 95 4.644 2.098 4.592 545 HD2 LYS 95 HD2 LYS 95 3.811 3.345 7.226 546 HD3 LYS 95 HD3 LYS 95 4.941 1.986 7.067 547 HE2 LYS 95 HE2 LYS 95 6.267 3.486 5.458 548 HE3 LYS 95 HE3 LYS 95 5.264 4.828 6.005 549 HZ1 LYS 95 HZ1 LYS 95 6.892 3.125 7.829 550 HZ2 LYS 95 HZ2 LYS 95 6.065 4.487 8.236 551 HZ3 LYS 95 HZ3 LYS 95 7.374 4.570 7.225 552 H THR 96 H THR 96 3.208 1.032 2.701 553 HA THR 96 HA THR 96 0.306 0.705 2.111 554 HB THR 96 HB THR 96 2.483 -0.724 0.533 555 HG1 THR 96 HG1 THR 96 2.180 1.473 0.086 556 HG21 THR 96 HG21 THR 96 0.611 -1.408 -0.939 557 HG22 THR 96 HG22 THR 96 -0.547 -0.649 0.163 558 HG23 THR 96 HG23 THR 96 0.383 -2.066 0.678 559 H TYR 97 H TYR 97 -0.515 -1.159 2.773 560 HA TYR 97 HA TYR 97 1.117 -2.889 4.613 561 HB2 TYR 97 HB2 TYR 97 -1.698 -1.834 5.040 562 HB3 TYR 97 HB3 TYR 97 -0.823 -2.876 6.124 563 HD1 TYR 97 HD1 TYR 97 -1.054 0.551 4.714 564 HD2 TYR 97 HD2 TYR 97 0.830 -1.981 7.650 565 HE1 TYR 97 HE1 TYR 97 -0.079 2.546 5.821 566 HE2 TYR 97 HE2 TYR 97 1.767 0.025 8.772 567 HH TYR 97 HH TYR 97 1.220 3.350 7.559 568 H PHE 98 H PHE 98 0.782 -5.026 4.466 569 HA PHE 98 HA PHE 98 -1.250 -6.074 2.521 570 HB2 PHE 98 HB2 PHE 98 1.674 -6.730 2.911 571 HB3 PHE 98 HB3 PHE 98 0.587 -7.712 1.954 572 HD1 PHE 98 HD1 PHE 98 2.299 -4.400 2.128 573 HD2 PHE 98 HD2 PHE 98 -0.042 -7.121 -0.257 574 HE1 PHE 98 HE1 PHE 98 2.824 -3.078 0.080 575 HE2 PHE 98 HE2 PHE 98 0.514 -5.810 -2.298 576 HZ PHE 98 HZ PHE 98 1.970 -3.817 -2.127 577 H PHE 99 H PHE 99 -2.151 -8.010 2.875 578 HA PHE 99 HA PHE 99 -1.978 -9.159 5.646 579 HB2 PHE 99 HB2 PHE 99 -4.367 -8.421 3.899 580 HB3 PHE 99 HB3 PHE 99 -4.489 -9.193 5.456 581 HD1 PHE 99 HD1 PHE 99 -3.302 -6.042 3.778 582 HD2 PHE 99 HD2 PHE 99 -4.754 -7.823 7.430 583 HE1 PHE 99 HE1 PHE 99 -3.218 -3.870 4.882 584 HE2 PHE 99 HE2 PHE 99 -4.846 -5.564 8.460 585 HZ PHE 99 HZ PHE 99 -4.012 -3.589 7.207 586 H LYS 100 H LYS 100 -1.739 -11.361 5.657 587 HA LYS 100 HA LYS 100 -1.950 -12.939 3.201 588 HB2 LYS 100 HB2 LYS 100 -1.730 -13.979 6.037 589 HB3 LYS 100 HB3 LYS 100 -1.650 -14.904 4.545 590 HG2 LYS 100 HG2 LYS 100 0.502 -14.783 4.764 591 HG3 LYS 100 HG3 LYS 100 0.349 -13.214 3.981 592 HD2 LYS 100 HD2 LYS 100 0.583 -12.052 6.041 593 HD3 LYS 100 HD3 LYS 100 0.310 -13.498 7.017 594 HE2 LYS 100 HE2 LYS 100 2.722 -13.090 5.207 595 HE3 LYS 100 HE3 LYS 100 2.700 -12.738 6.943 596 HZ1 LYS 100 HZ1 LYS 100 2.231 -15.401 5.742 597 HZ2 LYS 100 HZ2 LYS 100 2.204 -15.093 7.358 598 HZ3 LYS 100 HZ3 LYS 100 3.603 -14.937 6.496 599 H LYS 101 H LYS 101 -3.370 -14.825 3.024 600 HA LYS 101 HA LYS 101 -6.095 -14.518 2.980 601 HB2 LYS 101 HB2 LYS 101 -6.233 -16.994 3.268 602 HB3 LYS 101 HB3 LYS 101 -5.166 -16.420 2.002 603 HG2 LYS 101 HG2 LYS 101 -3.200 -16.970 3.198 604 HG3 LYS 101 HG3 LYS 101 -4.052 -17.190 4.721 605 HD2 LYS 101 HD2 LYS 101 -4.488 -18.928 2.260 606 HD3 LYS 101 HD3 LYS 101 -3.351 -19.328 3.543 607 HE2 LYS 101 HE2 LYS 101 -6.347 -18.918 4.003 608 HE3 LYS 101 HE3 LYS 101 -5.594 -20.477 3.681 609 HZ1 LYS 101 HZ1 LYS 101 -5.847 -20.133 6.049 610 HZ2 LYS 101 HZ2 LYS 101 -4.263 -20.222 5.677 611 HZ3 LYS 101 HZ3 LYS 101 -4.942 -18.767 6.026 612 H GLY 102 H GLY 102 -7.521 -13.810 4.333 613 HA2 GLY 102 HA2 GLY 102 -8.944 -13.778 6.134 614 HA3 GLY 102 HA3 GLY 102 -8.015 -15.065 6.901 615 H GLU 103 H GLU 103 -5.787 -12.564 6.310 616 HA GLU 103 HA GLU 103 -5.754 -11.905 9.144 617 HB2 GLU 103 HB2 GLU 103 -4.119 -10.816 6.829 618 HB3 GLU 103 HB3 GLU 103 -3.902 -10.368 8.522 619 HG2 GLU 103 HG2 GLU 103 -3.663 -12.909 8.963 620 HG3 GLU 103 HG3 GLU 103 -3.431 -13.065 7.230 621 H SER 104 H SER 104 -6.039 -10.033 10.169 622 HA SER 104 HA SER 104 -7.364 -7.754 8.746 623 HB2 SER 104 HB2 SER 104 -8.696 -7.362 10.716 624 HB3 SER 104 HB3 SER 104 -9.127 -8.845 9.974 625 HG SER 104 HG SER 104 -8.143 -9.992 11.558 626 H LYS 105 H LYS 105 -4.601 -8.611 10.372 627 HA LYS 105 HA LYS 105 -3.962 -5.720 10.619 628 HB2 LYS 105 HB2 LYS 105 -4.401 -6.487 12.897 629 HB3 LYS 105 HB3 LYS 105 -3.283 -7.850 12.668 630 HG2 LYS 105 HG2 LYS 105 -1.416 -6.366 12.517 631 HG3 LYS 105 HG3 LYS 105 -2.415 -4.932 12.525 632 HD2 LYS 105 HD2 LYS 105 -1.414 -5.276 14.748 633 HD3 LYS 105 HD3 LYS 105 -3.166 -5.465 14.864 634 HE2 LYS 105 HE2 LYS 105 -3.042 -7.798 14.985 635 HE3 LYS 105 HE3 LYS 105 -1.368 -7.825 14.369 636 HZ1 LYS 105 HZ1 LYS 105 -1.985 -6.590 16.999 637 HZ2 LYS 105 HZ2 LYS 105 -0.536 -7.083 16.386 638 HZ3 LYS 105 HZ3 LYS 105 -1.622 -8.197 16.831 639 H SER 106 H SER 106 -2.264 -5.285 9.373 640 HA SER 106 HA SER 106 -1.408 -7.177 7.497 641 HB2 SER 106 HB2 SER 106 0.138 -5.523 6.665 642 HB3 SER 106 HB3 SER 106 -1.344 -4.733 7.199 643 HG SER 106 HG SER 106 1.224 -4.764 8.432 644 H SER 107 H SER 107 0.623 -8.063 6.925 645 HA SER 107 HA SER 107 2.590 -8.575 9.157 646 HB2 SER 107 HB2 SER 107 1.039 -10.512 8.358 647 HB3 SER 107 HB3 SER 107 1.944 -10.432 6.844 648 HG SER 107 HG SER 107 2.862 -11.009 9.459 649 H TYR 108 H TYR 108 2.199 -7.340 6.030 650 HA TYR 108 HA TYR 108 5.128 -7.129 5.637 651 HB2 TYR 108 HB2 TYR 108 4.557 -8.998 4.250 652 HB3 TYR 108 HB3 TYR 108 3.141 -8.200 3.621 653 HD1 TYR 108 HD1 TYR 108 6.867 -7.682 3.775 654 HD2 TYR 108 HD2 TYR 108 3.293 -7.424 1.414 655 HE1 TYR 108 HE1 TYR 108 8.235 -7.021 1.756 656 HE2 TYR 108 HE2 TYR 108 4.633 -6.779 -0.561 657 HH TYR 108 HH TYR 108 6.796 -6.621 -1.459 658 H VAL 109 H VAL 109 5.729 -5.226 4.851 659 HA VAL 109 HA VAL 109 3.713 -3.144 4.179 660 HB VAL 109 HB VAL 109 5.032 -1.618 5.787 661 HG11 VAL 109 HG11 VAL 109 3.719 -2.168 7.716 662 HG12 VAL 109 HG12 VAL 109 3.339 -3.778 7.053 663 HG13 VAL 109 HG13 VAL 109 2.746 -2.303 6.224 664 HG21 VAL 109 HG21 VAL 109 6.138 -2.576 7.639 665 HG22 VAL 109 HG22 VAL 109 6.793 -3.393 6.198 666 HG23 VAL 109 HG23 VAL 109 5.637 -4.234 7.226 667 H ILE 110 H ILE 110 4.534 -1.290 3.223 668 HA ILE 110 HA ILE 110 7.369 -1.358 2.274 669 HB ILE 110 HB ILE 110 4.984 -1.042 0.481 670 HG12 ILE 110 HG12 ILE 110 6.468 -3.603 1.095 671 HG13 ILE 110 HG13 ILE 110 4.749 -3.301 1.103 672 HG21 ILE 110 HG21 ILE 110 7.882 -1.610 -0.307 673 HG22 ILE 110 HG22 ILE 110 7.185 0.016 -0.233 674 HG23 ILE 110 HG23 ILE 110 6.527 -1.153 -1.356 675 HD11 ILE 110 HD11 ILE 110 5.103 -4.601 -0.780 676 HD12 ILE 110 HD12 ILE 110 6.595 -3.766 -1.199 677 HD13 ILE 110 HD13 ILE 110 5.002 -2.971 -1.459 678 H ASN 111 H ASN 111 8.213 0.622 2.351 679 HA ASN 111 HA ASN 111 6.415 2.885 3.054 680 HB2 ASN 111 HB2 ASN 111 9.440 2.701 3.153 681 HB3 ASN 111 HB3 ASN 111 8.440 3.942 3.886 682 HD21 ASN 111 HD21 ASN 111 10.336 2.448 5.319 683 HD22 ASN 111 HD22 ASN 111 9.511 1.429 6.480 684 H GLY 112 H GLY 112 6.838 5.029 2.099 685 HA2 GLY 112 HA2 GLY 112 8.124 5.029 -0.590 686 HA3 GLY 112 HA3 GLY 112 6.406 5.418 -0.504 687 HA PRO 113 HA PRO 113 9.434 8.992 0.262 688 HB2 PRO 113 HB2 PRO 113 9.741 10.162 -2.168 689 HB3 PRO 113 HB3 PRO 113 10.439 8.555 -1.835 690 HG2 PRO 113 HG2 PRO 113 7.747 9.136 -3.145 691 HG3 PRO 113 HG3 PRO 113 9.084 8.155 -3.814 692 HD2 PRO 113 HD2 PRO 113 7.029 7.035 -2.419 693 HD3 PRO 113 HD3 PRO 113 8.700 6.415 -2.273 694 H GLY 114 H GLY 114 6.472 8.962 0.645 695 HA2 GLY 114 HA2 GLY 114 5.672 11.750 0.070 696 HA3 GLY 114 HA3 GLY 114 4.729 10.514 0.907 697 H LYS 115 H LYS 115 7.409 10.169 2.574 698 HA LYS 115 HA LYS 115 8.047 10.593 4.679 699 HB2 LYS 115 HB2 LYS 115 7.963 13.481 3.791 700 HB3 LYS 115 HB3 LYS 115 8.954 12.779 5.075 701 HG2 LYS 115 HG2 LYS 115 10.174 11.394 3.419 702 HG3 LYS 115 HG3 LYS 115 9.206 12.115 2.115 703 HD2 LYS 115 HD2 LYS 115 10.014 14.372 2.847 704 HD3 LYS 115 HD3 LYS 115 11.126 13.574 3.977 705 HE2 LYS 115 HE2 LYS 115 12.282 12.457 2.139 706 HE3 LYS 115 HE3 LYS 115 11.062 13.019 0.982 707 HZ1 LYS 115 HZ1 LYS 115 12.976 14.423 0.826 708 HZ2 LYS 115 HZ2 LYS 115 12.967 14.765 2.443 709 HZ3 LYS 115 HZ3 LYS 115 11.756 15.308 1.497 710 H THR 116 H THR 116 4.911 11.597 4.101 711 HA THR 116 HA THR 116 4.068 11.114 6.771 712 HB THR 116 HB THR 116 4.926 13.394 7.197 713 HG1 THR 116 HG1 THR 116 3.282 13.891 8.300 714 HG21 THR 116 HG21 THR 116 2.921 14.380 5.120 715 HG22 THR 116 HG22 THR 116 4.687 14.443 4.962 716 HG23 THR 116 HG23 THR 116 3.879 15.376 6.231 717 H ASN 117 H ASN 117 1.671 11.207 6.876 718 HA ASN 117 HA ASN 117 0.330 11.201 4.237 719 HB2 ASN 117 HB2 ASN 117 -0.699 10.688 7.067 720 HB3 ASN 117 HB3 ASN 117 -1.632 10.543 5.584 721 HD21 ASN 117 HD21 ASN 117 -0.479 9.144 3.839 722 HD22 ASN 117 HD22 ASN 117 0.221 7.641 4.446 723 H GLU 118 H GLU 118 1.101 13.431 6.760 724 HA GLU 118 HA GLU 118 -1.269 15.052 6.672 725 HB2 GLU 118 HB2 GLU 118 1.454 15.615 7.898 726 HB3 GLU 118 HB3 GLU 118 -0.038 16.518 8.176 727 HG2 GLU 118 HG2 GLU 118 -1.108 14.411 9.035 728 HG3 GLU 118 HG3 GLU 118 0.469 13.615 8.937 729 H TYR 119 H TYR 119 -1.407 15.453 4.409 730 HA TYR 119 HA TYR 119 -1.377 16.840 2.625 731 HB2 TYR 119 HB2 TYR 119 -1.439 18.870 4.861 732 HB3 TYR 119 HB3 TYR 119 -2.181 19.043 3.270 733 HD1 TYR 119 HD1 TYR 119 -4.117 17.568 2.609 734 HD2 TYR 119 HD2 TYR 119 -2.550 17.715 6.630 735 HE1 TYR 119 HE1 TYR 119 -6.129 16.343 3.439 736 HE2 TYR 119 HE2 TYR 119 -4.550 16.498 7.454 737 HH TYR 119 HH TYR 119 -7.103 15.315 5.231 738 H ALA 120 H ALA 120 1.250 16.200 2.948 739 HA ALA 120 HA ALA 120 3.406 16.762 2.500 740 HB1 ALA 120 HB1 ALA 120 2.299 16.700 0.312 741 HB2 ALA 120 HB2 ALA 120 3.685 17.805 0.318 742 HB3 ALA 120 HB3 ALA 120 2.026 18.452 0.386 743 H TYR 121 H TYR 121 2.743 18.158 4.754 744 HA TYR 121 HA TYR 121 4.812 20.214 4.525 745 HB2 TYR 121 HB2 TYR 121 2.620 21.437 4.236 746 HB3 TYR 121 HB3 TYR 121 2.203 20.975 5.878 747 HD1 TYR 121 HD1 TYR 121 4.422 23.020 3.753 748 HD2 TYR 121 HD2 TYR 121 3.406 21.965 7.808 749 HE1 TYR 121 HE1 TYR 121 5.860 24.877 4.603 750 HE2 TYR 121 HE2 TYR 121 4.800 23.848 8.650 751 HH TYR 121 HH TYR 121 6.229 25.549 8.098 752 H1 ACE 6 H1 ACE 6 22.655 -3.475 -3.500 753 H2 ACE 6 H2 ACE 6 24.237 -2.673 -3.642 754 H3 ACE 6 H3 ACE 6 23.980 -4.276 -4.371 755 H THR 7 H THR 7 21.718 -4.142 -5.688 756 HA THR 7 HA THR 7 21.812 -1.839 -7.566 757 HB THR 7 HB THR 7 23.341 -3.579 -8.421 758 HG1 THR 7 HG1 THR 7 20.967 -3.041 -9.795 759 HG21 THR 7 HG21 THR 7 20.875 -5.342 -8.713 760 HG22 THR 7 HG22 THR 7 22.232 -5.619 -7.601 761 HG23 THR 7 HG23 THR 7 22.501 -5.668 -9.345 762 H THR 8 H THR 8 19.870 -2.844 -5.527 763 HA THR 8 HA THR 8 17.471 -3.173 -7.299 764 HB THR 8 HB THR 8 17.859 -4.440 -4.569 765 HG1 THR 8 HG1 THR 8 17.612 -6.356 -5.971 766 HG21 THR 8 HG21 THR 8 15.477 -3.913 -5.145 767 HG22 THR 8 HG22 THR 8 15.652 -4.853 -6.642 768 HG23 THR 8 HG23 THR 8 15.784 -5.625 -5.039 769 HA PRO 9 HA PRO 9 15.863 0.499 -5.079 770 HB2 PRO 9 HB2 PRO 9 13.307 -0.836 -5.940 771 HB3 PRO 9 HB3 PRO 9 13.765 0.899 -6.048 772 HG2 PRO 9 HG2 PRO 9 13.821 -0.651 -8.244 773 HG3 PRO 9 HG3 PRO 9 15.178 0.480 -7.901 774 HD2 PRO 9 HD2 PRO 9 15.049 -2.491 -7.376 775 HD3 PRO 9 HD3 PRO 9 16.371 -1.519 -8.100 776 H ASP 10 H ASP 10 13.865 0.826 -3.529 777 HA ASP 10 HA ASP 10 13.870 -1.156 -1.381 778 HB2 ASP 10 HB2 ASP 10 12.495 1.472 -1.923 779 HB3 ASP 10 HB3 ASP 10 11.688 0.326 -0.857 780 HN2 TYS 11 HN2 TYS 11 12.594 -2.838 -1.161 781 HA TYS 11 HA TYS 11 10.275 -3.332 -2.756 782 HB2 TYS 11 HB2 TYS 11 12.877 -4.733 -3.399 783 HB3 TYS 11 HB3 TYS 11 11.397 -5.684 -3.385 784 HD1 TYS 11 HD1 TYS 11 9.307 -4.328 -4.290 785 HD2 TYS 11 HD2 TYS 11 13.323 -3.866 -5.658 786 HE1 TYS 11 HE1 TYS 11 8.458 -3.276 -6.252 787 HE2 TYS 11 HE2 TYS 11 12.473 -3.006 -7.810 788 H GLY 12 H GLY 12 9.852 -2.838 -0.856 789 HA2 GLY 12 HA2 GLY 12 8.561 -3.211 0.927 790 HA3 GLY 12 HA3 GLY 12 8.449 -4.871 0.390 791 H HIS 13 H HIS 13 8.222 -4.602 3.047 792 HA HIS 13 HA HIS 13 10.375 -6.377 3.817 793 HB2 HIS 13 HB2 HIS 13 10.965 -5.246 5.882 794 HB3 HIS 13 HB3 HIS 13 11.529 -4.340 4.482 795 HD1 HIS 13 HD1 HIS 13 9.837 -2.128 3.779 796 HD2 HIS 13 HD2 HIS 13 9.294 -3.960 7.547 797 HE1 HIS 13 HE1 HIS 13 8.235 -0.651 5.084 798 HE2 HIS 13 HE2 HIS 13 8.238 -1.554 7.534 799 HN2 TYS 14 HN2 TYS 14 9.875 -7.599 5.659 800 HA TYS 14 HA TYS 14 7.026 -7.441 6.500 801 HB2 TYS 14 HB2 TYS 14 9.121 -9.601 6.907 802 HB3 TYS 14 HB3 TYS 14 7.557 -9.603 7.675 803 HD1 TYS 14 HD1 TYS 14 8.988 -9.373 4.094 804 HD2 TYS 14 HD2 TYS 14 5.719 -10.654 6.655 805 HE1 TYS 14 HE1 TYS 14 8.254 -10.861 2.415 806 HE2 TYS 14 HE2 TYS 14 4.978 -12.164 4.898 807 H ASP 15 H ASP 15 6.310 -7.201 8.452 808 HA ASP 15 HA ASP 15 7.956 -6.528 10.692 809 HB2 ASP 15 HB2 ASP 15 7.976 -4.442 8.982 810 HB3 ASP 15 HB3 ASP 15 6.461 -4.100 9.698 811 H ASP 16 H ASP 16 6.629 -5.671 12.430 812 HA ASP 16 HA ASP 16 3.693 -6.099 12.315 813 HB2 ASP 16 HB2 ASP 16 5.577 -7.679 14.112 814 HB3 ASP 16 HB3 ASP 16 3.840 -7.553 14.388 815 H LYS 17 H LYS 17 6.202 -4.101 13.228 816 HA LYS 17 HA LYS 17 5.029 -3.204 15.790 817 HB2 LYS 17 HB2 LYS 17 6.989 -2.064 16.166 818 HB3 LYS 17 HB3 LYS 17 7.518 -3.481 15.269 819 HG2 LYS 17 HG2 LYS 17 7.346 -1.860 13.173 820 HG3 LYS 17 HG3 LYS 17 7.392 -0.592 14.415 821 HD2 LYS 17 HD2 LYS 17 9.494 -1.710 15.323 822 HD3 LYS 17 HD3 LYS 17 9.470 -2.746 13.889 823 HE2 LYS 17 HE2 LYS 17 9.782 0.287 13.970 824 HE3 LYS 17 HE3 LYS 17 11.029 -0.907 13.583 825 HZ1 LYS 17 HZ1 LYS 17 10.231 -0.076 11.534 826 HZ2 LYS 17 HZ2 LYS 17 8.656 -0.201 11.962 827 HZ3 LYS 17 HZ3 LYS 17 9.517 -1.566 11.673 828 H ASP 18 H ASP 18 4.713 -2.293 12.514 829 HA ASP 18 HA ASP 18 3.608 0.411 13.245 830 HB2 ASP 18 HB2 ASP 18 4.829 -0.510 10.613 831 HB3 ASP 18 HB3 ASP 18 4.272 1.117 10.998 832 H THR 19 H THR 19 2.562 -2.568 12.420 833 HA THR 19 HA THR 19 1.173 -2.559 10.096 834 HB THR 19 HB THR 19 1.381 -4.632 11.326 835 HG1 THR 19 HG1 THR 19 -0.254 -4.668 10.035 836 HG21 THR 19 HG21 THR 19 -0.455 -3.610 13.448 837 HG22 THR 19 HG22 THR 19 1.314 -3.729 13.603 838 HG23 THR 19 HG23 THR 19 0.394 -5.190 13.324 839 H LEU 20 H LEU 20 -0.999 -2.425 9.381 840 HA LEU 20 HA LEU 20 -2.698 -0.486 10.839 841 HB2 LEU 20 HB2 LEU 20 -2.168 0.139 8.488 842 HB3 LEU 20 HB3 LEU 20 -2.771 -1.439 7.957 843 HG LEU 20 HG LEU 20 -4.989 -0.803 8.984 844 HD11 LEU 20 HD11 LEU 20 -5.438 1.628 9.300 845 HD12 LEU 20 HD12 LEU 20 -3.706 1.969 9.095 846 HD13 LEU 20 HD13 LEU 20 -4.277 1.030 10.490 847 HD21 LEU 20 HD21 LEU 20 -5.583 0.637 7.054 848 HD22 LEU 20 HD22 LEU 20 -4.511 -0.706 6.648 849 HD23 LEU 20 HD23 LEU 20 -3.845 0.935 6.758 850 H ASP 21 H ASP 21 -3.986 -1.444 12.142 851 HA ASP 21 HA ASP 21 -4.933 -4.196 11.858 852 HB2 ASP 21 HB2 ASP 21 -5.585 -3.948 14.185 853 HB3 ASP 21 HB3 ASP 21 -3.891 -3.576 13.910 854 H LEU 22 H LEU 22 -6.408 -4.115 10.259 855 HA LEU 22 HA LEU 22 -8.622 -2.236 9.982 856 HB2 LEU 22 HB2 LEU 22 -7.705 -4.803 8.691 857 HB3 LEU 22 HB3 LEU 22 -9.419 -4.393 8.558 858 HG LEU 22 HG LEU 22 -8.889 -2.361 7.356 859 HD11 LEU 22 HD11 LEU 22 -6.473 -1.914 6.753 860 HD12 LEU 22 HD12 LEU 22 -6.006 -3.063 8.031 861 HD13 LEU 22 HD13 LEU 22 -6.912 -1.581 8.435 862 HD21 LEU 22 HD21 LEU 22 -7.081 -4.628 6.396 863 HD22 LEU 22 HD22 LEU 22 -7.754 -3.316 5.402 864 HD23 LEU 22 HD23 LEU 22 -8.848 -4.520 6.103 865 H ASN 23 H ASN 23 -8.310 -5.491 11.268 866 HA ASN 23 HA ASN 23 -9.644 -6.956 12.443 867 HB2 ASN 23 HB2 ASN 23 -9.654 -4.388 13.946 868 HB3 ASN 23 HB3 ASN 23 -10.192 -5.912 14.651 869 HD21 ASN 23 HD21 ASN 23 -7.800 -7.262 12.952 870 HD22 ASN 23 HD22 ASN 23 -6.574 -7.050 14.183 871 H THR 24 H THR 24 -11.650 -4.530 11.155 872 HA THR 24 HA THR 24 -14.027 -5.012 12.439 873 HB THR 24 HB THR 24 -13.664 -3.122 11.099 874 HG1 THR 24 HG1 THR 24 -15.783 -3.760 11.299 875 HG21 THR 24 HG21 THR 24 -13.674 -3.165 8.641 876 HG22 THR 24 HG22 THR 24 -13.636 -4.937 8.672 877 HG23 THR 24 HG23 THR 24 -12.269 -3.997 9.318 878 HA PRO 25 HA PRO 25 -15.451 -8.678 9.788 879 HB2 PRO 25 HB2 PRO 25 -13.627 -10.651 9.269 880 HB3 PRO 25 HB3 PRO 25 -14.050 -9.341 8.122 881 HG2 PRO 25 HG2 PRO 25 -11.689 -9.473 9.996 882 HG3 PRO 25 HG3 PRO 25 -11.709 -9.008 8.279 883 HD2 PRO 25 HD2 PRO 25 -11.674 -7.176 10.200 884 HD3 PRO 25 HD3 PRO 25 -12.615 -6.914 8.714 885 H VAL 26 H VAL 26 -15.941 -10.791 10.658 886 HA VAL 26 HA VAL 26 -14.955 -11.410 13.372 887 HB VAL 26 HB VAL 26 -16.451 -9.440 13.592 888 HG11 VAL 26 HG11 VAL 26 -18.026 -9.787 11.770 889 HG12 VAL 26 HG12 VAL 26 -18.874 -9.660 13.316 890 HG13 VAL 26 HG13 VAL 26 -18.665 -11.243 12.554 891 HG21 VAL 26 HG21 VAL 26 -17.777 -10.209 15.425 892 HG22 VAL 26 HG22 VAL 26 -16.196 -10.993 15.442 893 HG23 VAL 26 HG23 VAL 26 -17.633 -11.892 14.911 894 H ASP 27 H ASP 27 -15.545 -13.500 14.090 895 HA ASP 27 HA ASP 27 -16.575 -15.315 12.008 896 HB2 ASP 27 HB2 ASP 27 -15.605 -15.813 14.845 897 HB3 ASP 27 HB3 ASP 27 -16.121 -17.077 13.729 898 H LYS 28 H LYS 28 -18.103 -13.375 14.193 899 HA LYS 28 HA LYS 28 -20.621 -14.987 14.254 900 HB2 LYS 28 HB2 LYS 28 -19.677 -14.798 16.496 901 HB3 LYS 28 HB3 LYS 28 -19.599 -13.035 16.351 902 HG2 LYS 28 HG2 LYS 28 -22.068 -12.927 16.109 903 HG3 LYS 28 HG3 LYS 28 -22.168 -14.684 16.180 904 HD2 LYS 28 HD2 LYS 28 -21.182 -12.873 18.437 905 HD3 LYS 28 HD3 LYS 28 -22.808 -13.559 18.280 906 HE2 LYS 28 HE2 LYS 28 -21.649 -15.867 18.171 907 HE3 LYS 28 HE3 LYS 28 -20.193 -15.051 18.748 908 HZ1 LYS 28 HZ1 LYS 28 -21.522 -16.005 20.535 909 HZ2 LYS 28 HZ2 LYS 28 -21.476 -14.360 20.721 910 HZ3 LYS 28 HZ3 LYS 28 -22.822 -15.096 20.134 911 HN1 NH2 29 HN1 NH2 29 -21.465 -14.168 12.358 912 HN2 NH2 29 HN2 NH2 29 -21.856 -12.470 12.151 Start of MODEL 9 1 H1 ASN 31 H1 ASN 31 8.759 11.821 -22.453 2 H2 ASN 31 H2 ASN 31 9.973 10.814 -22.023 3 H3 ASN 31 H3 ASN 31 10.310 12.377 -22.421 4 HA ASN 31 HA ASN 31 8.830 11.420 -20.072 5 HB2 ASN 31 HB2 ASN 31 11.328 13.156 -20.031 6 HB3 ASN 31 HB3 ASN 31 10.618 12.228 -18.716 7 HD21 ASN 31 HD21 ASN 31 11.086 9.874 -18.632 8 HD22 ASN 31 HD22 ASN 31 12.316 9.209 -19.717 9 H SER 32 H SER 32 7.047 12.618 -19.842 10 HA SER 32 HA SER 32 7.243 15.597 -19.847 11 HB2 SER 32 HB2 SER 32 5.061 14.035 -21.294 12 HB3 SER 32 HB3 SER 32 5.154 15.794 -21.117 13 HG SER 32 HG SER 32 6.836 14.065 -22.594 14 H GLY 33 H GLY 33 6.417 12.923 -18.072 15 HA2 GLY 33 HA2 GLY 33 5.139 14.199 -15.956 16 HA3 GLY 33 HA3 GLY 33 3.828 13.632 -16.999 17 H LEU 34 H LEU 34 3.697 12.550 -14.634 18 HA LEU 34 HA LEU 34 4.742 9.763 -14.912 19 HB2 LEU 34 HB2 LEU 34 4.942 11.575 -12.472 20 HB3 LEU 34 HB3 LEU 34 5.246 9.844 -12.424 21 HG LEU 34 HG LEU 34 6.856 11.802 -14.130 22 HD11 LEU 34 HD11 LEU 34 7.116 12.237 -11.719 23 HD12 LEU 34 HD12 LEU 34 8.589 11.592 -12.449 24 HD13 LEU 34 HD13 LEU 34 7.554 10.530 -11.469 25 HD21 LEU 34 HD21 LEU 34 6.956 9.469 -14.977 26 HD22 LEU 34 HD22 LEU 34 7.376 8.894 -13.346 27 HD23 LEU 34 HD23 LEU 34 8.488 9.946 -14.245 28 HA PRO 35 HA PRO 35 0.576 8.736 -13.990 29 HB2 PRO 35 HB2 PRO 35 0.795 6.169 -12.968 30 HB3 PRO 35 HB3 PRO 35 0.951 6.589 -14.688 31 HG2 PRO 35 HG2 PRO 35 3.139 6.130 -12.670 32 HG3 PRO 35 HG3 PRO 35 3.057 5.579 -14.374 33 HD2 PRO 35 HD2 PRO 35 4.509 7.760 -13.596 34 HD3 PRO 35 HD3 PRO 35 3.691 7.689 -15.184 35 H THR 36 H THR 36 -0.889 8.980 -12.442 36 HA THR 36 HA THR 36 -0.270 8.486 -9.573 37 HB THR 36 HB THR 36 0.150 10.804 -9.780 38 HG1 THR 36 HG1 THR 36 -2.256 10.101 -8.661 39 HG21 THR 36 HG21 THR 36 -1.516 12.445 -10.615 40 HG22 THR 36 HG22 THR 36 -2.533 11.105 -11.197 41 HG23 THR 36 HG23 THR 36 -0.920 11.396 -11.891 42 H THR 37 H THR 37 -1.961 7.104 -11.775 43 HA THR 37 HA THR 37 -4.508 7.095 -10.230 44 HB THR 37 HB THR 37 -5.487 5.706 -11.928 45 HG1 THR 37 HG1 THR 37 -3.121 6.160 -13.414 46 HG21 THR 37 HG21 THR 37 -5.762 8.108 -12.153 47 HG22 THR 37 HG22 THR 37 -5.645 7.341 -13.744 48 HG23 THR 37 HG23 THR 37 -4.256 8.234 -13.084 49 H LEU 38 H LEU 38 -5.320 5.358 -9.241 50 HA LEU 38 HA LEU 38 -3.639 3.729 -7.776 51 HB2 LEU 38 HB2 LEU 38 -6.223 4.389 -7.701 52 HB3 LEU 38 HB3 LEU 38 -6.426 2.815 -8.459 53 HG LEU 38 HG LEU 38 -5.360 3.526 -5.728 54 HD11 LEU 38 HD11 LEU 38 -7.663 1.776 -6.676 55 HD12 LEU 38 HD12 LEU 38 -7.788 3.409 -5.987 56 HD13 LEU 38 HD13 LEU 38 -7.226 2.066 -4.982 57 HD21 LEU 38 HD21 LEU 38 -5.283 0.766 -7.016 58 HD22 LEU 38 HD22 LEU 38 -5.099 1.076 -5.276 59 HD23 LEU 38 HD23 LEU 38 -3.899 1.703 -6.402 60 H GLY 39 H GLY 39 -5.277 2.827 -10.851 61 HA2 GLY 39 HA2 GLY 39 -4.727 0.057 -10.865 62 HA3 GLY 39 HA3 GLY 39 -4.943 1.068 -12.299 63 H LYS 40 H LYS 40 -2.627 2.735 -11.994 64 HA LYS 40 HA LYS 40 -0.622 0.863 -13.062 65 HB2 LYS 40 HB2 LYS 40 -0.491 3.886 -12.667 66 HB3 LYS 40 HB3 LYS 40 0.702 2.887 -13.520 67 HG2 LYS 40 HG2 LYS 40 -1.304 2.051 -14.959 68 HG3 LYS 40 HG3 LYS 40 -2.201 3.394 -14.257 69 HD2 LYS 40 HD2 LYS 40 -1.440 4.084 -16.394 70 HD3 LYS 40 HD3 LYS 40 -0.506 4.966 -15.193 71 HE2 LYS 40 HE2 LYS 40 0.984 4.282 -16.943 72 HE3 LYS 40 HE3 LYS 40 1.374 3.291 -15.530 73 HZ1 LYS 40 HZ1 LYS 40 1.245 1.968 -17.540 74 HZ2 LYS 40 HZ2 LYS 40 0.064 1.493 -16.525 75 HZ3 LYS 40 HZ3 LYS 40 -0.316 2.448 -17.826 76 H LEU 41 H LEU 41 -0.966 2.825 -10.117 77 HA LEU 41 HA LEU 41 1.452 1.908 -8.885 78 HB2 LEU 41 HB2 LEU 41 0.161 3.760 -7.968 79 HB3 LEU 41 HB3 LEU 41 -1.206 2.691 -7.636 80 HG LEU 41 HG LEU 41 0.164 1.412 -6.021 81 HD11 LEU 41 HD11 LEU 41 2.303 2.281 -5.228 82 HD12 LEU 41 HD12 LEU 41 2.303 3.543 -6.472 83 HD13 LEU 41 HD13 LEU 41 2.451 1.820 -6.916 84 HD21 LEU 41 HD21 LEU 41 -1.185 3.337 -5.270 85 HD22 LEU 41 HD22 LEU 41 0.249 4.380 -5.430 86 HD23 LEU 41 HD23 LEU 41 0.251 3.043 -4.257 87 H ASP 42 H ASP 42 -1.823 0.367 -8.887 88 HA ASP 42 HA ASP 42 -1.241 -1.870 -7.264 89 HB2 ASP 42 HB2 ASP 42 -3.502 -1.441 -7.835 90 HB3 ASP 42 HB3 ASP 42 -3.163 -1.364 -9.552 91 H GLU 43 H GLU 43 -0.652 -1.529 -10.760 92 HA GLU 43 HA GLU 43 0.337 -4.212 -11.108 93 HB2 GLU 43 HB2 GLU 43 -0.453 -2.686 -12.929 94 HB3 GLU 43 HB3 GLU 43 1.021 -1.727 -12.735 95 HG2 GLU 43 HG2 GLU 43 2.398 -3.654 -13.376 96 HG3 GLU 43 HG3 GLU 43 0.981 -4.709 -13.382 97 H ARG 44 H ARG 44 1.924 -1.170 -10.120 98 HA ARG 44 HA ARG 44 4.585 -2.313 -10.000 99 HB2 ARG 44 HB2 ARG 44 3.568 0.263 -9.980 100 HB3 ARG 44 HB3 ARG 44 3.978 0.050 -8.274 101 HG2 ARG 44 HG2 ARG 44 6.289 -0.625 -8.951 102 HG3 ARG 44 HG3 ARG 44 5.827 -0.478 -10.649 103 HD2 ARG 44 HD2 ARG 44 7.027 1.440 -10.172 104 HD3 ARG 44 HD3 ARG 44 5.335 1.990 -10.189 105 HE ARG 44 HE ARG 44 7.031 1.415 -7.776 106 HH11 ARG 44 HH11 ARG 44 4.943 3.863 -9.300 107 HH12 ARG 44 HH12 ARG 44 4.969 4.767 -7.791 108 HH21 ARG 44 HH21 ARG 44 6.933 2.730 -6.018 109 HH22 ARG 44 HH22 ARG 44 5.998 4.220 -6.141 110 H LEU 45 H LEU 45 1.991 -1.847 -7.546 111 HA LEU 45 HA LEU 45 3.501 -2.854 -5.307 112 HB2 LEU 45 HB2 LEU 45 0.531 -2.622 -5.840 113 HB3 LEU 45 HB3 LEU 45 1.208 -3.167 -4.308 114 HG LEU 45 HG LEU 45 1.749 -0.434 -5.547 115 HD11 LEU 45 HD11 LEU 45 0.315 0.378 -3.714 116 HD12 LEU 45 HD12 LEU 45 -0.026 -1.300 -3.235 117 HD13 LEU 45 HD13 LEU 45 -0.572 -0.695 -4.812 118 HD21 LEU 45 HD21 LEU 45 3.627 -0.997 -4.149 119 HD22 LEU 45 HD22 LEU 45 2.562 -1.633 -2.874 120 HD23 LEU 45 HD23 LEU 45 2.598 0.100 -3.241 121 H ARG 46 H ARG 46 1.369 -4.590 -7.603 122 HA ARG 46 HA ARG 46 1.756 -7.177 -6.329 123 HB2 ARG 46 HB2 ARG 46 1.000 -6.391 -9.172 124 HB3 ARG 46 HB3 ARG 46 1.039 -8.065 -8.583 125 HG2 ARG 46 HG2 ARG 46 -0.636 -7.548 -6.855 126 HG3 ARG 46 HG3 ARG 46 -0.638 -5.846 -7.324 127 HD2 ARG 46 HD2 ARG 46 -1.348 -6.634 -9.653 128 HD3 ARG 46 HD3 ARG 46 -1.671 -8.203 -8.925 129 HE ARG 46 HE ARG 46 -2.972 -5.586 -8.218 130 HH11 ARG 46 HH11 ARG 46 -3.453 -9.114 -8.279 131 HH12 ARG 46 HH12 ARG 46 -5.136 -8.857 -7.815 132 HH21 ARG 46 HH21 ARG 46 -4.850 -5.474 -7.507 133 HH22 ARG 46 HH22 ARG 46 -5.859 -6.909 -7.168 134 H ASN 47 H ASN 47 3.744 -5.265 -8.538 135 HA ASN 47 HA ASN 47 5.753 -7.415 -8.816 136 HB2 ASN 47 HB2 ASN 47 5.611 -4.512 -9.640 137 HB3 ASN 47 HB3 ASN 47 7.148 -5.354 -9.529 138 HD21 ASN 47 HD21 ASN 47 4.190 -5.042 -11.377 139 HD22 ASN 47 HD22 ASN 47 4.757 -6.082 -12.684 140 H TYR 48 H TYR 48 5.426 -4.547 -6.583 141 HA TYR 48 HA TYR 48 7.852 -5.055 -5.246 142 HB2 TYR 48 HB2 TYR 48 5.264 -3.818 -4.260 143 HB3 TYR 48 HB3 TYR 48 6.608 -4.036 -3.254 144 HD1 TYR 48 HD1 TYR 48 8.584 -2.604 -3.269 145 HD2 TYR 48 HD2 TYR 48 5.204 -1.879 -5.819 146 HE1 TYR 48 HE1 TYR 48 9.230 -0.232 -3.471 147 HE2 TYR 48 HE2 TYR 48 5.830 0.487 -5.997 148 HH TYR 48 HH TYR 48 8.505 1.852 -4.081 149 H LEU 49 H LEU 49 4.729 -6.674 -4.791 150 HA LEU 49 HA LEU 49 5.617 -8.200 -2.512 151 HB2 LEU 49 HB2 LEU 49 3.398 -8.361 -4.542 152 HB3 LEU 49 HB3 LEU 49 3.794 -9.863 -3.720 153 HG LEU 49 HG LEU 49 3.273 -7.311 -2.194 154 HD11 LEU 49 HD11 LEU 49 1.356 -9.569 -2.983 155 HD12 LEU 49 HD12 LEU 49 1.243 -7.862 -3.481 156 HD13 LEU 49 HD13 LEU 49 0.993 -8.318 -1.787 157 HD21 LEU 49 HD21 LEU 49 4.434 -9.026 -0.923 158 HD22 LEU 49 HD22 LEU 49 3.231 -10.243 -1.379 159 HD23 LEU 49 HD23 LEU 49 2.786 -8.871 -0.335 160 H LYS 50 H LYS 50 5.691 -9.091 -6.004 161 HA LYS 50 HA LYS 50 6.961 -11.644 -5.497 162 HB2 LYS 50 HB2 LYS 50 6.943 -9.918 -8.008 163 HB3 LYS 50 HB3 LYS 50 7.532 -11.589 -7.850 164 HG2 LYS 50 HG2 LYS 50 5.381 -12.452 -7.364 165 HG3 LYS 50 HG3 LYS 50 4.657 -10.852 -7.194 166 HD2 LYS 50 HD2 LYS 50 5.822 -11.913 -9.808 167 HD3 LYS 50 HD3 LYS 50 4.134 -12.102 -9.318 168 HE2 LYS 50 HE2 LYS 50 4.055 -9.560 -9.039 169 HE3 LYS 50 HE3 LYS 50 5.608 -9.492 -9.886 170 HZ1 LYS 50 HZ1 LYS 50 3.151 -10.778 -10.977 171 HZ2 LYS 50 HZ2 LYS 50 4.547 -10.499 -11.813 172 HZ3 LYS 50 HZ3 LYS 50 3.579 -9.249 -11.327 173 H LYS 51 H LYS 51 8.328 -8.498 -6.430 174 HA LYS 51 HA LYS 51 11.116 -9.158 -6.350 175 HB2 LYS 51 HB2 LYS 51 9.529 -6.619 -5.877 176 HB3 LYS 51 HB3 LYS 51 11.286 -6.659 -5.868 177 HG2 LYS 51 HG2 LYS 51 9.792 -7.729 -8.274 178 HG3 LYS 51 HG3 LYS 51 10.035 -5.994 -8.063 179 HD2 LYS 51 HD2 LYS 51 12.444 -6.274 -7.861 180 HD3 LYS 51 HD3 LYS 51 12.312 -8.028 -7.992 181 HE2 LYS 51 HE2 LYS 51 11.383 -6.079 -10.150 182 HE3 LYS 51 HE3 LYS 51 13.007 -6.773 -10.083 183 HZ1 LYS 51 HZ1 LYS 51 11.802 -8.134 -11.502 184 HZ2 LYS 51 HZ2 LYS 51 11.893 -9.010 -10.111 185 HZ3 LYS 51 HZ3 LYS 51 10.489 -8.302 -10.505 186 H GLY 52 H GLY 52 8.851 -8.547 -3.719 187 HA2 GLY 52 HA2 GLY 52 11.105 -8.019 -1.858 188 HA3 GLY 52 HA3 GLY 52 9.509 -7.311 -1.813 189 H THR 53 H THR 53 8.660 -10.526 -2.244 190 HA THR 53 HA THR 53 9.131 -11.282 0.596 191 HB THR 53 HB THR 53 6.922 -12.100 0.722 192 HG1 THR 53 HG1 THR 53 6.663 -11.243 -2.005 193 HG21 THR 53 HG21 THR 53 5.570 -10.172 0.700 194 HG22 THR 53 HG22 THR 53 6.620 -9.372 -0.505 195 HG23 THR 53 HG23 THR 53 7.207 -9.681 1.137 196 H LYS 54 H LYS 54 9.036 -13.544 1.033 197 HA LYS 54 HA LYS 54 10.498 -15.071 -0.845 198 HB2 LYS 54 HB2 LYS 54 8.984 -15.962 1.635 199 HB3 LYS 54 HB3 LYS 54 10.112 -16.971 0.735 200 HG2 LYS 54 HG2 LYS 54 11.979 -15.544 1.236 201 HG3 LYS 54 HG3 LYS 54 10.939 -14.292 1.941 202 HD2 LYS 54 HD2 LYS 54 10.223 -15.853 3.713 203 HD3 LYS 54 HD3 LYS 54 11.275 -17.116 3.029 204 HE2 LYS 54 HE2 LYS 54 13.250 -15.664 3.397 205 HE3 LYS 54 HE3 LYS 54 12.199 -14.395 4.062 206 HZ1 LYS 54 HZ1 LYS 54 12.424 -17.132 5.170 207 HZ2 LYS 54 HZ2 LYS 54 11.581 -15.920 5.838 208 HZ3 LYS 54 HZ3 LYS 54 13.243 -15.858 5.779 209 H ASN 55 H ASN 55 6.975 -15.029 -0.201 210 HA ASN 55 HA ASN 55 6.738 -16.834 -2.542 211 HB2 ASN 55 HB2 ASN 55 4.679 -16.725 -0.297 212 HB3 ASN 55 HB3 ASN 55 4.892 -18.008 -1.470 213 HD21 ASN 55 HD21 ASN 55 4.302 -18.494 0.981 214 HD22 ASN 55 HD22 ASN 55 5.659 -18.964 1.997 215 H SER 56 H SER 56 5.568 -13.856 -1.497 216 HA SER 56 HA SER 56 3.763 -12.570 -2.050 217 HB2 SER 56 HB2 SER 56 3.853 -11.973 -4.474 218 HB3 SER 56 HB3 SER 56 5.409 -12.017 -3.649 219 HG SER 56 HG SER 56 5.977 -13.828 -4.667 220 H ALA 57 H ALA 57 2.626 -15.173 -1.554 221 HA ALA 57 HA ALA 57 0.248 -15.182 -3.373 222 HB1 ALA 57 HB1 ALA 57 0.536 -17.610 -3.663 223 HB2 ALA 57 HB2 ALA 57 1.989 -17.568 -2.632 224 HB3 ALA 57 HB3 ALA 57 1.988 -16.739 -4.201 225 H GLN 58 H GLN 58 1.470 -15.784 -0.181 226 HA GLN 58 HA GLN 58 -0.855 -17.044 0.965 227 HB2 GLN 58 HB2 GLN 58 0.245 -16.538 3.067 228 HB3 GLN 58 HB3 GLN 58 1.407 -17.233 1.956 229 HG2 GLN 58 HG2 GLN 58 1.232 -14.213 2.319 230 HG3 GLN 58 HG3 GLN 58 2.078 -15.236 3.448 231 HE21 GLN 58 HE21 GLN 58 4.198 -15.281 3.092 232 HE22 GLN 58 HE22 GLN 58 4.987 -15.074 1.547 233 H PHE 59 H PHE 59 -0.153 -13.867 -0.056 234 HA PHE 59 HA PHE 59 -1.758 -12.353 1.821 235 HB2 PHE 59 HB2 PHE 59 -0.394 -11.585 -0.761 236 HB3 PHE 59 HB3 PHE 59 -1.169 -10.470 0.360 237 HD1 PHE 59 HD1 PHE 59 -0.291 -10.282 2.756 238 HD2 PHE 59 HD2 PHE 59 1.895 -12.321 -0.341 239 HE1 PHE 59 HE1 PHE 59 1.772 -10.119 4.114 240 HE2 PHE 59 HE2 PHE 59 3.965 -12.147 1.017 241 HZ PHE 59 HZ PHE 59 3.911 -11.041 3.238 242 H GLU 60 H GLU 60 -3.670 -11.186 1.394 243 HA GLU 60 HA GLU 60 -5.356 -12.267 -0.860 244 HB2 GLU 60 HB2 GLU 60 -7.265 -12.157 0.545 245 HB3 GLU 60 HB3 GLU 60 -6.055 -13.225 1.267 246 HG2 GLU 60 HG2 GLU 60 -5.447 -11.546 2.875 247 HG3 GLU 60 HG3 GLU 60 -6.415 -10.315 2.097 248 H LYS 61 H LYS 61 -4.437 -9.448 1.003 249 HA LYS 61 HA LYS 61 -5.486 -7.646 -1.032 250 HB2 LYS 61 HB2 LYS 61 -6.986 -6.413 0.293 251 HB3 LYS 61 HB3 LYS 61 -7.455 -8.091 0.453 252 HG2 LYS 61 HG2 LYS 61 -6.494 -8.166 2.746 253 HG3 LYS 61 HG3 LYS 61 -5.899 -6.515 2.559 254 HD2 LYS 61 HD2 LYS 61 -8.042 -5.590 2.520 255 HD3 LYS 61 HD3 LYS 61 -8.827 -7.099 2.108 256 HE2 LYS 61 HE2 LYS 61 -7.374 -6.751 4.749 257 HE3 LYS 61 HE3 LYS 61 -9.011 -6.130 4.530 258 HZ1 LYS 61 HZ1 LYS 61 -8.288 -9.016 4.297 259 HZ2 LYS 61 HZ2 LYS 61 -9.782 -8.387 4.089 260 HZ3 LYS 61 HZ3 LYS 61 -9.072 -8.274 5.539 261 H MET 62 H MET 62 -5.163 -5.428 -0.433 262 HA MET 62 HA MET 62 -2.842 -4.819 1.258 263 HB2 MET 62 HB2 MET 62 -1.537 -3.801 -0.502 264 HB3 MET 62 HB3 MET 62 -1.858 -5.487 -0.914 265 HG2 MET 62 HG2 MET 62 -3.632 -4.794 -2.476 266 HG3 MET 62 HG3 MET 62 -3.347 -3.098 -2.060 267 HE1 MET 62 HE1 MET 62 -3.411 -4.192 -5.026 268 HE2 MET 62 HE2 MET 62 -2.019 -3.359 -5.737 269 HE3 MET 62 HE3 MET 62 -3.098 -2.484 -4.625 270 H VAL 63 H VAL 63 -2.536 -2.555 1.595 271 HA VAL 63 HA VAL 63 -4.709 -0.749 0.729 272 HB VAL 63 HB VAL 63 -5.414 -1.862 2.868 273 HG11 VAL 63 HG11 VAL 63 -4.300 -1.750 4.798 274 HG12 VAL 63 HG12 VAL 63 -3.305 -0.325 4.324 275 HG13 VAL 63 HG13 VAL 63 -2.968 -1.919 3.661 276 HG21 VAL 63 HG21 VAL 63 -6.010 0.142 4.136 277 HG22 VAL 63 HG22 VAL 63 -6.310 0.377 2.411 278 HG23 VAL 63 HG23 VAL 63 -4.887 1.123 3.176 279 H ILE 64 H ILE 64 -4.134 1.368 0.654 280 HA ILE 64 HA ILE 64 -1.188 1.945 0.794 281 HB ILE 64 HB ILE 64 -3.261 2.800 -1.260 282 HG12 ILE 64 HG12 ILE 64 -1.084 0.767 -1.835 283 HG13 ILE 64 HG13 ILE 64 -2.664 0.247 -1.275 284 HG21 ILE 64 HG21 ILE 64 -0.214 2.994 -1.337 285 HG22 ILE 64 HG22 ILE 64 -1.321 4.349 -1.022 286 HG23 ILE 64 HG23 ILE 64 -1.335 3.556 -2.591 287 HD11 ILE 64 HD11 ILE 64 -2.161 1.778 -3.830 288 HD12 ILE 64 HD12 ILE 64 -3.766 1.396 -3.161 289 HD13 ILE 64 HD13 ILE 64 -2.672 0.090 -3.642 290 H LEU 65 H LEU 65 -0.667 3.774 1.929 291 HA LEU 65 HA LEU 65 -2.809 5.808 2.392 292 HB2 LEU 65 HB2 LEU 65 -0.589 5.296 4.384 293 HB3 LEU 65 HB3 LEU 65 -1.994 6.327 4.546 294 HG LEU 65 HG LEU 65 -2.048 3.286 4.483 295 HD11 LEU 65 HD11 LEU 65 -1.111 4.421 6.561 296 HD12 LEU 65 HD12 LEU 65 -2.578 3.468 6.849 297 HD13 LEU 65 HD13 LEU 65 -2.666 5.236 6.740 298 HD21 LEU 65 HD21 LEU 65 -4.370 3.473 5.194 299 HD22 LEU 65 HD22 LEU 65 -4.146 4.117 3.575 300 HD23 LEU 65 HD23 LEU 65 -4.326 5.242 4.938 301 H THR 66 H THR 66 -2.347 7.783 1.778 302 HA THR 66 HA THR 66 0.402 8.284 0.676 303 HB THR 66 HB THR 66 -0.644 9.578 -1.052 304 HG1 THR 66 HG1 THR 66 -2.421 10.411 -0.075 305 HG21 THR 66 HG21 THR 66 -0.457 7.140 -1.455 306 HG22 THR 66 HG22 THR 66 -1.817 7.883 -2.320 307 HG23 THR 66 HG23 THR 66 -2.124 6.929 -0.859 308 H GLU 67 H GLU 67 0.910 10.661 0.308 309 HA GLU 67 HA GLU 67 0.369 12.390 2.516 310 HB2 GLU 67 HB2 GLU 67 0.763 13.337 -0.335 311 HB3 GLU 67 HB3 GLU 67 1.118 14.198 1.161 312 HG2 GLU 67 HG2 GLU 67 2.870 12.350 1.607 313 HG3 GLU 67 HG3 GLU 67 2.605 11.838 -0.050 314 H ASN 68 H ASN 68 -1.081 14.290 2.500 315 HA ASN 68 HA ASN 68 -3.078 15.353 2.332 316 HB2 ASN 68 HB2 ASN 68 -3.346 14.256 -0.446 317 HB3 ASN 68 HB3 ASN 68 -3.816 15.835 0.129 318 HD21 ASN 68 HD21 ASN 68 -1.836 14.631 -1.981 319 HD22 ASN 68 HD22 ASN 68 -0.280 15.369 -1.588 320 H LYS 69 H LYS 69 -3.169 12.826 3.549 321 HA LYS 69 HA LYS 69 -4.625 11.445 4.569 322 HB2 LYS 69 HB2 LYS 69 -6.684 13.555 3.837 323 HB3 LYS 69 HB3 LYS 69 -6.764 12.395 5.172 324 HG2 LYS 69 HG2 LYS 69 -4.702 13.420 6.159 325 HG3 LYS 69 HG3 LYS 69 -4.707 14.631 4.862 326 HD2 LYS 69 HD2 LYS 69 -6.985 15.344 5.557 327 HD3 LYS 69 HD3 LYS 69 -6.892 14.210 6.933 328 HE2 LYS 69 HE2 LYS 69 -4.910 15.332 7.778 329 HE3 LYS 69 HE3 LYS 69 -4.864 16.395 6.352 330 HZ1 LYS 69 HZ1 LYS 69 -5.899 17.440 8.344 331 HZ2 LYS 69 HZ2 LYS 69 -7.134 16.354 8.273 332 HZ3 LYS 69 HZ3 LYS 69 -6.908 17.414 7.048 333 H GLY 70 H GLY 70 -4.123 10.664 1.982 334 HA2 GLY 70 HA2 GLY 70 -6.605 9.405 0.970 335 HA3 GLY 70 HA3 GLY 70 -4.990 9.198 0.313 336 H TYR 71 H TYR 71 -7.237 7.406 1.221 337 HA TYR 71 HA TYR 71 -5.549 5.223 2.264 338 HB2 TYR 71 HB2 TYR 71 -6.818 6.003 4.213 339 HB3 TYR 71 HB3 TYR 71 -8.306 6.023 3.291 340 HD1 TYR 71 HD1 TYR 71 -9.122 3.659 2.313 341 HD2 TYR 71 HD2 TYR 71 -6.448 4.164 5.682 342 HE1 TYR 71 HE1 TYR 71 -9.755 1.419 3.161 343 HE2 TYR 71 HE2 TYR 71 -7.122 1.947 6.527 344 HH TYR 71 HH TYR 71 -9.427 -0.193 4.823 345 H TYR 72 H TYR 72 -5.717 3.575 0.819 346 HA TYR 72 HA TYR 72 -8.232 3.209 -0.741 347 HB2 TYR 72 HB2 TYR 72 -5.432 3.212 -1.919 348 HB3 TYR 72 HB3 TYR 72 -6.912 2.821 -2.772 349 HD1 TYR 72 HD1 TYR 72 -8.551 4.585 -3.370 350 HD2 TYR 72 HD2 TYR 72 -4.826 5.528 -1.409 351 HE1 TYR 72 HE1 TYR 72 -8.841 6.981 -3.982 352 HE2 TYR 72 HE2 TYR 72 -5.126 7.932 -2.003 353 HH TYR 72 HH TYR 72 -7.975 9.078 -3.857 354 H THR 73 H THR 73 -8.826 1.044 -0.940 355 HA THR 73 HA THR 73 -6.845 -1.037 -0.045 356 HB THR 73 HB THR 73 -8.527 -0.589 1.692 357 HG1 THR 73 HG1 THR 73 -9.272 -2.862 1.720 358 HG21 THR 73 HG21 THR 73 -10.826 -1.253 1.469 359 HG22 THR 73 HG22 THR 73 -10.582 -1.800 -0.200 360 HG23 THR 73 HG23 THR 73 -10.495 -0.072 0.202 361 H VAL 74 H VAL 74 -6.721 -2.931 -1.134 362 HA VAL 74 HA VAL 74 -8.430 -3.400 -3.532 363 HB VAL 74 HB VAL 74 -5.391 -3.089 -3.583 364 HG11 VAL 74 HG11 VAL 74 -7.341 -4.098 -5.681 365 HG12 VAL 74 HG12 VAL 74 -5.903 -4.921 -5.039 366 HG13 VAL 74 HG13 VAL 74 -5.706 -3.514 -6.078 367 HG21 VAL 74 HG21 VAL 74 -6.498 -0.908 -3.722 368 HG22 VAL 74 HG22 VAL 74 -7.572 -1.506 -5.004 369 HG23 VAL 74 HG23 VAL 74 -5.820 -1.344 -5.287 370 H TYR 75 H TYR 75 -8.844 -5.569 -3.800 371 HA TYR 75 HA TYR 75 -7.427 -7.503 -2.096 372 HB2 TYR 75 HB2 TYR 75 -9.783 -7.721 -3.971 373 HB3 TYR 75 HB3 TYR 75 -8.989 -9.130 -3.276 374 HD1 TYR 75 HD1 TYR 75 -9.077 -9.635 -0.899 375 HD2 TYR 75 HD2 TYR 75 -10.936 -6.065 -2.452 376 HE1 TYR 75 HE1 TYR 75 -10.234 -9.305 1.250 377 HE2 TYR 75 HE2 TYR 75 -12.059 -5.701 -0.274 378 HH TYR 75 HH TYR 75 -12.287 -6.424 1.886 379 H LEU 76 H LEU 76 -6.039 -8.998 -2.670 380 HA LEU 76 HA LEU 76 -4.683 -8.854 -5.312 381 HB2 LEU 76 HB2 LEU 76 -4.005 -10.256 -2.696 382 HB3 LEU 76 HB3 LEU 76 -2.997 -10.292 -4.136 383 HG LEU 76 HG LEU 76 -3.747 -7.679 -2.738 384 HD11 LEU 76 HD11 LEU 76 -1.529 -7.757 -1.733 385 HD12 LEU 76 HD12 LEU 76 -1.275 -9.399 -2.378 386 HD13 LEU 76 HD13 LEU 76 -2.541 -9.089 -1.163 387 HD21 LEU 76 HD21 LEU 76 -2.983 -7.394 -5.059 388 HD22 LEU 76 HD22 LEU 76 -1.561 -8.413 -4.732 389 HD23 LEU 76 HD23 LEU 76 -1.741 -6.837 -3.936 390 H ASN 77 H ASN 77 -7.001 -10.774 -3.631 391 HA ASN 77 HA ASN 77 -6.784 -13.315 -4.808 392 HB2 ASN 77 HB2 ASN 77 -9.312 -11.679 -4.272 393 HB3 ASN 77 HB3 ASN 77 -9.250 -13.423 -4.472 394 HD21 ASN 77 HD21 ASN 77 -10.228 -11.756 -2.184 395 HD22 ASN 77 HD22 ASN 77 -9.336 -12.405 -0.819 396 H THR 78 H THR 78 -7.722 -10.293 -6.339 397 HA THR 78 HA THR 78 -8.234 -11.503 -8.966 398 HB THR 78 HB THR 78 -10.367 -10.371 -9.218 399 HG1 THR 78 HG1 THR 78 -11.332 -9.324 -7.537 400 HG21 THR 78 HG21 THR 78 -10.573 -11.782 -6.533 401 HG22 THR 78 HG22 THR 78 -10.372 -12.652 -8.077 402 HG23 THR 78 HG23 THR 78 -11.799 -11.654 -7.801 403 HA PRO 79 HA PRO 79 -6.678 -7.357 -10.106 404 HB2 PRO 79 HB2 PRO 79 -8.665 -7.187 -12.322 405 HB3 PRO 79 HB3 PRO 79 -6.881 -7.162 -12.411 406 HG2 PRO 79 HG2 PRO 79 -8.288 -9.341 -13.251 407 HG3 PRO 79 HG3 PRO 79 -6.732 -9.507 -12.358 408 HD2 PRO 79 HD2 PRO 79 -9.527 -9.683 -11.218 409 HD3 PRO 79 HD3 PRO 79 -8.145 -10.811 -11.039 410 H LEU 80 H LEU 80 -7.357 -5.102 -9.878 411 HA LEU 80 HA LEU 80 -9.954 -4.776 -8.554 412 HB2 LEU 80 HB2 LEU 80 -9.364 -2.675 -7.897 413 HB3 LEU 80 HB3 LEU 80 -7.899 -3.628 -7.764 414 HG LEU 80 HG LEU 80 -8.503 -1.634 -9.986 415 HD11 LEU 80 HD11 LEU 80 -6.616 -1.415 -7.616 416 HD12 LEU 80 HD12 LEU 80 -8.183 -0.588 -7.755 417 HD13 LEU 80 HD13 LEU 80 -6.875 -0.197 -8.883 418 HD21 LEU 80 HD21 LEU 80 -6.929 -3.258 -10.833 419 HD22 LEU 80 HD22 LEU 80 -6.044 -3.290 -9.287 420 HD23 LEU 80 HD23 LEU 80 -5.964 -1.867 -10.328 421 H ALA 81 H ALA 81 -11.564 -3.238 -9.136 422 HA ALA 81 HA ALA 81 -12.536 -3.592 -11.782 423 HB1 ALA 81 HB1 ALA 81 -13.354 -1.583 -9.630 424 HB2 ALA 81 HB2 ALA 81 -13.888 -3.279 -9.711 425 HB3 ALA 81 HB3 ALA 81 -14.348 -2.149 -10.984 426 H GLU 82 H GLU 82 -12.701 -2.182 -13.588 427 HA GLU 82 HA GLU 82 -10.507 -0.470 -14.106 428 HB2 GLU 82 HB2 GLU 82 -13.205 -0.655 -15.474 429 HB3 GLU 82 HB3 GLU 82 -11.887 0.379 -16.041 430 HG2 GLU 82 HG2 GLU 82 -10.412 -1.696 -16.113 431 HG3 GLU 82 HG3 GLU 82 -11.878 -2.648 -15.863 432 H ASP 83 H ASP 83 -13.669 0.447 -12.769 433 HA ASP 83 HA ASP 83 -13.232 3.319 -13.080 434 HB2 ASP 83 HB2 ASP 83 -15.155 1.676 -11.413 435 HB3 ASP 83 HB3 ASP 83 -15.189 3.448 -11.496 436 H ARG 84 H ARG 84 -12.002 0.999 -10.909 437 HA ARG 84 HA ARG 84 -11.017 3.049 -8.955 438 HB2 ARG 84 HB2 ARG 84 -10.919 -0.007 -8.952 439 HB3 ARG 84 HB3 ARG 84 -10.169 1.034 -7.749 440 HG2 ARG 84 HG2 ARG 84 -12.329 1.947 -7.085 441 HG3 ARG 84 HG3 ARG 84 -13.161 1.023 -8.350 442 HD2 ARG 84 HD2 ARG 84 -12.503 -1.081 -7.330 443 HD3 ARG 84 HD3 ARG 84 -11.564 -0.238 -6.083 444 HE ARG 84 HE ARG 84 -13.960 0.888 -5.667 445 HH11 ARG 84 HH11 ARG 84 -13.436 -2.541 -6.316 446 HH12 ARG 84 HH12 ARG 84 -14.827 -3.003 -5.369 447 HH21 ARG 84 HH21 ARG 84 -15.399 0.195 -4.182 448 HH22 ARG 84 HH22 ARG 84 -15.919 -1.473 -4.155 449 H LYS 85 H LYS 85 -9.896 0.822 -11.537 450 HA LYS 85 HA LYS 85 -7.082 1.237 -11.209 451 HB2 LYS 85 HB2 LYS 85 -8.747 0.805 -13.725 452 HB3 LYS 85 HB3 LYS 85 -6.987 0.900 -13.737 453 HG2 LYS 85 HG2 LYS 85 -6.829 -1.024 -12.219 454 HG3 LYS 85 HG3 LYS 85 -8.598 -1.134 -12.166 455 HD2 LYS 85 HD2 LYS 85 -7.915 -2.777 -13.672 456 HD3 LYS 85 HD3 LYS 85 -8.565 -1.473 -14.669 457 HE2 LYS 85 HE2 LYS 85 -6.142 -0.679 -14.994 458 HE3 LYS 85 HE3 LYS 85 -5.643 -2.184 -14.186 459 HZ1 LYS 85 HZ1 LYS 85 -5.678 -2.638 -16.518 460 HZ2 LYS 85 HZ2 LYS 85 -7.154 -1.914 -16.733 461 HZ3 LYS 85 HZ3 LYS 85 -7.039 -3.328 -15.923 462 H ASN 86 H ASN 86 -9.503 3.137 -12.901 463 HA ASN 86 HA ASN 86 -7.595 5.131 -13.842 464 HB2 ASN 86 HB2 ASN 86 -10.626 4.789 -13.961 465 HB3 ASN 86 HB3 ASN 86 -9.796 6.181 -14.618 466 HD21 ASN 86 HD21 ASN 86 -10.464 2.799 -15.132 467 HD22 ASN 86 HD22 ASN 86 -9.726 2.745 -16.731 468 H VAL 87 H VAL 87 -8.768 4.841 -10.654 469 HA VAL 87 HA VAL 87 -9.615 7.641 -10.388 470 HB VAL 87 HB VAL 87 -10.512 5.542 -9.133 471 HG11 VAL 87 HG11 VAL 87 -9.610 5.067 -6.975 472 HG12 VAL 87 HG12 VAL 87 -8.339 6.306 -7.146 473 HG13 VAL 87 HG13 VAL 87 -8.321 4.861 -8.169 474 HG21 VAL 87 HG21 VAL 87 -11.240 6.949 -7.272 475 HG22 VAL 87 HG22 VAL 87 -11.282 7.863 -8.787 476 HG23 VAL 87 HG23 VAL 87 -9.958 8.126 -7.627 477 H GLU 88 H GLU 88 -8.443 9.324 -9.422 478 HA GLU 88 HA GLU 88 -5.530 8.939 -9.423 479 HB2 GLU 88 HB2 GLU 88 -7.291 11.366 -9.044 480 HB3 GLU 88 HB3 GLU 88 -5.540 11.409 -8.815 481 HG2 GLU 88 HG2 GLU 88 -5.114 10.699 -11.088 482 HG3 GLU 88 HG3 GLU 88 -6.836 10.424 -11.388 483 H LEU 89 H LEU 89 -4.195 8.893 -7.830 484 HA LEU 89 HA LEU 89 -4.961 8.352 -5.102 485 HB2 LEU 89 HB2 LEU 89 -2.310 8.923 -6.511 486 HB3 LEU 89 HB3 LEU 89 -2.418 8.368 -4.853 487 HG LEU 89 HG LEU 89 -3.600 6.777 -7.179 488 HD11 LEU 89 HD11 LEU 89 -1.179 7.066 -7.534 489 HD12 LEU 89 HD12 LEU 89 -1.629 5.395 -7.175 490 HD13 LEU 89 HD13 LEU 89 -0.879 6.400 -5.916 491 HD21 LEU 89 HD21 LEU 89 -3.378 4.887 -5.576 492 HD22 LEU 89 HD22 LEU 89 -4.451 6.142 -4.940 493 HD23 LEU 89 HD23 LEU 89 -2.779 6.006 -4.339 494 H LEU 90 H LEU 90 -5.261 9.759 -3.467 495 HA LEU 90 HA LEU 90 -5.334 12.506 -3.721 496 HB2 LEU 90 HB2 LEU 90 -5.447 10.570 -1.490 497 HB3 LEU 90 HB3 LEU 90 -4.995 12.196 -0.999 498 HG LEU 90 HG LEU 90 -7.426 11.647 -2.757 499 HD11 LEU 90 HD11 LEU 90 -7.248 11.908 0.269 500 HD12 LEU 90 HD12 LEU 90 -7.770 10.480 -0.664 501 HD13 LEU 90 HD13 LEU 90 -8.755 11.944 -0.676 502 HD21 LEU 90 HD21 LEU 90 -6.569 14.042 -1.071 503 HD22 LEU 90 HD22 LEU 90 -8.130 13.880 -1.903 504 HD23 LEU 90 HD23 LEU 90 -6.644 13.980 -2.842 505 H GLY 91 H GLY 91 -2.467 10.674 -2.828 506 HA2 GLY 91 HA2 GLY 91 -0.770 12.975 -3.419 507 HA3 GLY 91 HA3 GLY 91 -0.751 12.486 -1.728 508 H LYS 92 H LYS 92 1.569 12.297 -2.525 509 HA LYS 92 HA LYS 92 2.441 10.054 -4.058 510 HB2 LYS 92 HB2 LYS 92 3.615 12.289 -3.239 511 HB3 LYS 92 HB3 LYS 92 4.128 11.289 -1.891 512 HG2 LYS 92 HG2 LYS 92 5.880 11.186 -3.376 513 HG3 LYS 92 HG3 LYS 92 5.001 9.697 -3.771 514 HD2 LYS 92 HD2 LYS 92 4.026 10.736 -5.735 515 HD3 LYS 92 HD3 LYS 92 4.759 12.298 -5.334 516 HE2 LYS 92 HE2 LYS 92 6.431 9.782 -5.728 517 HE3 LYS 92 HE3 LYS 92 5.933 10.771 -7.102 518 HZ1 LYS 92 HZ1 LYS 92 7.119 12.638 -6.215 519 HZ2 LYS 92 HZ2 LYS 92 8.157 11.338 -6.189 520 HZ3 LYS 92 HZ3 LYS 92 7.463 11.895 -4.812 521 H MET 93 H MET 93 3.541 8.123 -3.404 522 HA MET 93 HA MET 93 2.049 6.582 -1.502 523 HB2 MET 93 HB2 MET 93 2.924 5.734 -3.728 524 HB3 MET 93 HB3 MET 93 4.540 5.710 -3.019 525 HG2 MET 93 HG2 MET 93 3.489 4.206 -1.158 526 HG3 MET 93 HG3 MET 93 2.073 4.138 -2.190 527 HE1 MET 93 HE1 MET 93 6.068 1.887 -2.804 528 HE2 MET 93 HE2 MET 93 5.570 2.771 -1.347 529 HE3 MET 93 HE3 MET 93 6.110 3.663 -2.793 530 H TYR 94 H TYR 94 2.744 8.073 0.353 531 HA TYR 94 HA TYR 94 5.140 7.843 1.771 532 HB2 TYR 94 HB2 TYR 94 3.485 9.322 2.531 533 HB3 TYR 94 HB3 TYR 94 2.247 8.112 2.540 534 HD1 TYR 94 HD1 TYR 94 2.260 6.300 4.365 535 HD2 TYR 94 HD2 TYR 94 4.644 9.879 4.552 536 HE1 TYR 94 HE1 TYR 94 2.617 5.935 6.793 537 HE2 TYR 94 HE2 TYR 94 4.907 9.584 7.000 538 HH TYR 94 HH TYR 94 4.224 8.383 8.838 539 H LYS 95 H LYS 95 2.428 5.405 1.895 540 HA LYS 95 HA LYS 95 4.345 3.254 2.467 541 HB2 LYS 95 HB2 LYS 95 4.015 4.559 4.610 542 HB3 LYS 95 HB3 LYS 95 2.325 4.050 4.600 543 HG2 LYS 95 HG2 LYS 95 2.940 1.785 5.063 544 HG3 LYS 95 HG3 LYS 95 4.656 2.089 4.688 545 HD2 LYS 95 HD2 LYS 95 4.926 3.547 6.576 546 HD3 LYS 95 HD3 LYS 95 3.185 3.655 6.842 547 HE2 LYS 95 HE2 LYS 95 3.249 1.142 7.297 548 HE3 LYS 95 HE3 LYS 95 5.012 1.324 7.361 549 HZ1 LYS 95 HZ1 LYS 95 3.707 1.519 9.533 550 HZ2 LYS 95 HZ2 LYS 95 3.214 2.993 9.037 551 HZ3 LYS 95 HZ3 LYS 95 4.830 2.696 9.233 552 H THR 96 H THR 96 3.412 1.136 2.549 553 HA THR 96 HA THR 96 0.526 0.805 1.908 554 HB THR 96 HB THR 96 2.753 -0.517 0.301 555 HG1 THR 96 HG1 THR 96 2.293 1.654 -0.167 556 HG21 THR 96 HG21 THR 96 0.975 -1.348 -1.160 557 HG22 THR 96 HG22 THR 96 -0.267 -0.636 -0.124 558 HG23 THR 96 HG23 THR 96 0.719 -1.992 0.455 559 H TYR 97 H TYR 97 -0.273 -1.173 2.485 560 HA TYR 97 HA TYR 97 1.403 -2.907 4.262 561 HB2 TYR 97 HB2 TYR 97 -1.422 -2.113 5.024 562 HB3 TYR 97 HB3 TYR 97 -0.238 -2.916 5.964 563 HD1 TYR 97 HD1 TYR 97 -0.883 0.394 4.266 564 HD2 TYR 97 HD2 TYR 97 0.950 -1.710 7.548 565 HE1 TYR 97 HE1 TYR 97 -0.213 2.551 5.287 566 HE2 TYR 97 HE2 TYR 97 1.458 0.453 8.632 567 HH TYR 97 HH TYR 97 0.459 3.568 7.261 568 H PHE 98 H PHE 98 0.769 -5.018 4.516 569 HA PHE 98 HA PHE 98 -1.214 -6.123 2.557 570 HB2 PHE 98 HB2 PHE 98 1.692 -6.874 2.984 571 HB3 PHE 98 HB3 PHE 98 0.577 -7.764 1.972 572 HD1 PHE 98 HD1 PHE 98 2.531 -4.595 2.247 573 HD2 PHE 98 HD2 PHE 98 -0.058 -7.002 -0.200 574 HE1 PHE 98 HE1 PHE 98 3.105 -3.204 0.259 575 HE2 PHE 98 HE2 PHE 98 0.573 -5.657 -2.198 576 HZ PHE 98 HZ PHE 98 2.166 -3.772 -1.966 577 H PHE 99 H PHE 99 -2.083 -8.091 2.974 578 HA PHE 99 HA PHE 99 -1.896 -9.140 5.780 579 HB2 PHE 99 HB2 PHE 99 -4.400 -8.559 4.142 580 HB3 PHE 99 HB3 PHE 99 -4.339 -9.035 5.821 581 HD1 PHE 99 HD1 PHE 99 -3.657 -6.288 3.428 582 HD2 PHE 99 HD2 PHE 99 -4.064 -7.337 7.587 583 HE1 PHE 99 HE1 PHE 99 -3.494 -3.932 4.028 584 HE2 PHE 99 HE2 PHE 99 -3.963 -4.929 8.182 585 HZ PHE 99 HZ PHE 99 -3.582 -3.224 6.430 586 H LYS 100 H LYS 100 -1.890 -11.339 5.934 587 HA LYS 100 HA LYS 100 -2.120 -13.065 3.564 588 HB2 LYS 100 HB2 LYS 100 -1.865 -13.884 6.467 589 HB3 LYS 100 HB3 LYS 100 -1.849 -14.937 5.045 590 HG2 LYS 100 HG2 LYS 100 0.341 -14.841 5.518 591 HG3 LYS 100 HG3 LYS 100 0.176 -13.664 4.217 592 HD2 LYS 100 HD2 LYS 100 0.456 -11.824 5.712 593 HD3 LYS 100 HD3 LYS 100 0.228 -12.839 7.140 594 HE2 LYS 100 HE2 LYS 100 2.533 -13.347 5.224 595 HE3 LYS 100 HE3 LYS 100 2.642 -12.120 6.492 596 HZ1 LYS 100 HZ1 LYS 100 2.115 -13.851 8.128 597 HZ2 LYS 100 HZ2 LYS 100 3.517 -14.147 7.324 598 HZ3 LYS 100 HZ3 LYS 100 2.185 -15.010 6.952 599 H LYS 101 H LYS 101 -3.607 -14.870 3.448 600 HA LYS 101 HA LYS 101 -6.293 -14.267 3.326 601 HB2 LYS 101 HB2 LYS 101 -5.130 -16.269 2.376 602 HB3 LYS 101 HB3 LYS 101 -5.106 -16.973 3.985 603 HG2 LYS 101 HG2 LYS 101 -6.878 -17.971 2.704 604 HG3 LYS 101 HG3 LYS 101 -7.556 -17.064 4.045 605 HD2 LYS 101 HD2 LYS 101 -8.860 -16.841 1.963 606 HD3 LYS 101 HD3 LYS 101 -8.282 -15.287 2.566 607 HE2 LYS 101 HE2 LYS 101 -6.431 -15.326 0.912 608 HE3 LYS 101 HE3 LYS 101 -7.001 -16.883 0.305 609 HZ1 LYS 101 HZ1 LYS 101 -9.031 -15.842 -0.411 610 HZ2 LYS 101 HZ2 LYS 101 -8.657 -14.410 0.277 611 HZ3 LYS 101 HZ3 LYS 101 -7.776 -14.950 -1.010 612 H GLY 102 H GLY 102 -7.591 -13.440 4.838 613 HA2 GLY 102 HA2 GLY 102 -9.085 -13.691 6.635 614 HA3 GLY 102 HA3 GLY 102 -8.049 -14.907 7.369 615 H GLU 103 H GLU 103 -5.904 -12.401 6.743 616 HA GLU 103 HA GLU 103 -5.958 -11.530 9.541 617 HB2 GLU 103 HB2 GLU 103 -4.235 -10.715 7.171 618 HB3 GLU 103 HB3 GLU 103 -4.038 -10.081 8.807 619 HG2 GLU 103 HG2 GLU 103 -3.698 -12.437 9.608 620 HG3 GLU 103 HG3 GLU 103 -3.669 -12.964 7.920 621 H SER 104 H SER 104 -6.153 -9.491 10.321 622 HA SER 104 HA SER 104 -7.271 -7.242 8.687 623 HB2 SER 104 HB2 SER 104 -8.260 -7.861 11.435 624 HB3 SER 104 HB3 SER 104 -8.888 -6.720 10.247 625 HG SER 104 HG SER 104 -9.071 -9.521 10.333 626 H LYS 105 H LYS 105 -4.636 -8.163 10.327 627 HA LYS 105 HA LYS 105 -3.824 -5.324 10.571 628 HB2 LYS 105 HB2 LYS 105 -4.263 -5.986 12.887 629 HB3 LYS 105 HB3 LYS 105 -3.294 -7.459 12.667 630 HG2 LYS 105 HG2 LYS 105 -1.278 -6.157 12.368 631 HG3 LYS 105 HG3 LYS 105 -2.142 -4.638 12.522 632 HD2 LYS 105 HD2 LYS 105 -2.346 -6.731 14.714 633 HD3 LYS 105 HD3 LYS 105 -0.901 -5.730 14.578 634 HE2 LYS 105 HE2 LYS 105 -2.207 -3.684 14.762 635 HE3 LYS 105 HE3 LYS 105 -3.723 -4.612 14.828 636 HZ1 LYS 105 HZ1 LYS 105 -3.020 -5.580 16.894 637 HZ2 LYS 105 HZ2 LYS 105 -2.873 -3.965 17.076 638 HZ3 LYS 105 HZ3 LYS 105 -1.528 -4.870 16.809 639 H SER 106 H SER 106 -1.945 -5.017 9.505 640 HA SER 106 HA SER 106 -1.188 -7.035 7.679 641 HB2 SER 106 HB2 SER 106 0.454 -5.539 6.797 642 HB3 SER 106 HB3 SER 106 -0.950 -4.596 7.300 643 HG SER 106 HG SER 106 1.605 -4.842 8.608 644 H SER 107 H SER 107 0.830 -7.891 7.150 645 HA SER 107 HA SER 107 2.754 -8.448 9.391 646 HB2 SER 107 HB2 SER 107 1.227 -10.405 8.748 647 HB3 SER 107 HB3 SER 107 1.900 -10.301 7.123 648 HG SER 107 HG SER 107 3.075 -11.115 9.540 649 H TYR 108 H TYR 108 2.347 -7.200 6.266 650 HA TYR 108 HA TYR 108 5.251 -6.966 5.850 651 HB2 TYR 108 HB2 TYR 108 4.716 -8.929 4.552 652 HB3 TYR 108 HB3 TYR 108 3.302 -8.166 3.867 653 HD1 TYR 108 HD1 TYR 108 7.031 -7.734 4.028 654 HD2 TYR 108 HD2 TYR 108 3.467 -7.351 1.672 655 HE1 TYR 108 HE1 TYR 108 8.418 -7.122 2.017 656 HE2 TYR 108 HE2 TYR 108 4.821 -6.750 -0.302 657 HH TYR 108 HH TYR 108 6.980 -6.583 -1.191 658 H VAL 109 H VAL 109 5.789 -5.018 5.203 659 HA VAL 109 HA VAL 109 3.790 -3.187 4.017 660 HB VAL 109 HB VAL 109 4.270 -1.396 5.512 661 HG11 VAL 109 HG11 VAL 109 3.616 -3.784 7.226 662 HG12 VAL 109 HG12 VAL 109 2.466 -2.918 6.169 663 HG13 VAL 109 HG13 VAL 109 3.224 -2.077 7.542 664 HG21 VAL 109 HG21 VAL 109 6.247 -3.162 6.843 665 HG22 VAL 109 HG22 VAL 109 5.482 -1.788 7.696 666 HG23 VAL 109 HG23 VAL 109 6.341 -1.481 6.193 667 H ILE 110 H ILE 110 4.690 -1.227 3.207 668 HA ILE 110 HA ILE 110 7.579 -1.328 2.432 669 HB ILE 110 HB ILE 110 5.289 -1.073 0.490 670 HG12 ILE 110 HG12 ILE 110 6.749 -3.605 1.253 671 HG13 ILE 110 HG13 ILE 110 5.037 -3.314 1.177 672 HG21 ILE 110 HG21 ILE 110 8.250 -1.587 -0.033 673 HG22 ILE 110 HG22 ILE 110 7.440 -0.017 -0.199 674 HG23 ILE 110 HG23 ILE 110 7.006 -1.333 -1.265 675 HD11 ILE 110 HD11 ILE 110 5.530 -4.674 -0.668 676 HD12 ILE 110 HD12 ILE 110 6.963 -3.738 -1.095 677 HD13 ILE 110 HD13 ILE 110 5.318 -3.063 -1.358 678 H ASN 111 H ASN 111 8.435 0.698 2.357 679 HA ASN 111 HA ASN 111 6.600 3.034 2.710 680 HB2 ASN 111 HB2 ASN 111 9.602 2.794 3.103 681 HB3 ASN 111 HB3 ASN 111 8.613 4.196 3.498 682 HD21 ASN 111 HD21 ASN 111 10.228 1.874 4.997 683 HD22 ASN 111 HD22 ASN 111 9.174 1.638 6.388 684 H GLY 112 H GLY 112 7.242 5.053 1.564 685 HA2 GLY 112 HA2 GLY 112 8.905 4.827 -0.848 686 HA3 GLY 112 HA3 GLY 112 7.168 4.934 -1.139 687 HA PRO 113 HA PRO 113 8.820 9.293 -0.821 688 HB2 PRO 113 HB2 PRO 113 7.836 10.237 -3.160 689 HB3 PRO 113 HB3 PRO 113 9.331 9.271 -3.097 690 HG2 PRO 113 HG2 PRO 113 6.536 8.240 -3.716 691 HG3 PRO 113 HG3 PRO 113 8.009 8.050 -4.682 692 HD2 PRO 113 HD2 PRO 113 7.136 6.178 -2.894 693 HD3 PRO 113 HD3 PRO 113 8.888 6.484 -3.092 694 H GLY 114 H GLY 114 7.657 10.503 0.462 695 HA2 GLY 114 HA2 GLY 114 5.380 11.803 0.365 696 HA3 GLY 114 HA3 GLY 114 4.747 10.209 0.797 697 H LYS 115 H LYS 115 5.511 13.038 2.236 698 HA LYS 115 HA LYS 115 7.321 11.948 4.325 699 HB2 LYS 115 HB2 LYS 115 7.878 14.182 4.824 700 HB3 LYS 115 HB3 LYS 115 7.892 13.934 3.072 701 HG2 LYS 115 HG2 LYS 115 5.487 15.034 3.184 702 HG3 LYS 115 HG3 LYS 115 5.970 15.501 4.820 703 HD2 LYS 115 HD2 LYS 115 6.461 17.373 3.442 704 HD3 LYS 115 HD3 LYS 115 8.023 16.619 3.807 705 HE2 LYS 115 HE2 LYS 115 7.945 15.429 1.624 706 HE3 LYS 115 HE3 LYS 115 6.372 16.149 1.275 707 HZ1 LYS 115 HZ1 LYS 115 8.921 17.646 1.587 708 HZ2 LYS 115 HZ2 LYS 115 7.442 18.323 1.255 709 HZ3 LYS 115 HZ3 LYS 115 8.128 17.326 0.166 710 H THR 116 H THR 116 3.981 12.816 4.203 711 HA THR 116 HA THR 116 3.488 11.753 6.840 712 HB THR 116 HB THR 116 4.222 13.933 7.619 713 HG1 THR 116 HG1 THR 116 2.444 14.494 8.699 714 HG21 THR 116 HG21 THR 116 2.137 15.185 5.775 715 HG22 THR 116 HG22 THR 116 3.898 15.276 5.558 716 HG23 THR 116 HG23 THR 116 3.154 16.021 6.973 717 H ASN 117 H ASN 117 1.193 11.364 7.114 718 HA ASN 117 HA ASN 117 -0.331 11.422 4.623 719 HB2 ASN 117 HB2 ASN 117 -1.085 10.602 7.464 720 HB3 ASN 117 HB3 ASN 117 -2.083 10.381 6.032 721 HD21 ASN 117 HD21 ASN 117 -0.708 9.291 4.118 722 HD22 ASN 117 HD22 ASN 117 0.325 7.968 4.668 723 H GLU 118 H GLU 118 0.085 13.631 7.272 724 HA GLU 118 HA GLU 118 -2.515 14.785 7.308 725 HB2 GLU 118 HB2 GLU 118 0.108 15.871 8.401 726 HB3 GLU 118 HB3 GLU 118 -1.519 16.383 8.872 727 HG2 GLU 118 HG2 GLU 118 -1.985 14.016 9.616 728 HG3 GLU 118 HG3 GLU 118 -0.263 13.666 9.389 729 H TYR 119 H TYR 119 -1.118 15.059 4.619 730 HA TYR 119 HA TYR 119 -1.343 16.417 2.853 731 HB2 TYR 119 HB2 TYR 119 -3.268 17.514 4.095 732 HB3 TYR 119 HB3 TYR 119 -2.143 18.802 4.511 733 HD1 TYR 119 HD1 TYR 119 -0.894 19.994 2.580 734 HD2 TYR 119 HD2 TYR 119 -4.412 17.558 2.025 735 HE1 TYR 119 HE1 TYR 119 -1.241 21.002 0.328 736 HE2 TYR 119 HE2 TYR 119 -4.758 18.570 -0.218 737 HH TYR 119 HH TYR 119 -3.996 20.061 -1.756 738 H ALA 120 H ALA 120 0.355 16.973 1.736 739 HA ALA 120 HA ALA 120 2.314 18.905 2.760 740 HB1 ALA 120 HB1 ALA 120 2.970 16.763 3.848 741 HB2 ALA 120 HB2 ALA 120 4.191 17.279 2.682 742 HB3 ALA 120 HB3 ALA 120 3.060 15.978 2.253 743 H TYR 121 H TYR 121 0.548 18.560 0.407 744 HA TYR 121 HA TYR 121 2.286 18.424 -1.965 745 HB2 TYR 121 HB2 TYR 121 -0.121 17.733 -1.924 746 HB3 TYR 121 HB3 TYR 121 -0.570 19.397 -1.610 747 HD1 TYR 121 HD1 TYR 121 1.060 17.144 -4.101 748 HD2 TYR 121 HD2 TYR 121 -0.813 20.957 -3.401 749 HE1 TYR 121 HE1 TYR 121 0.840 17.489 -6.566 750 HE2 TYR 121 HE2 TYR 121 -1.015 21.316 -5.854 751 HH TYR 121 HH TYR 121 -0.040 18.823 -8.225 752 H1 ACE 6 H1 ACE 6 20.148 0.647 -1.950 753 H2 ACE 6 H2 ACE 6 21.863 0.964 -1.596 754 H3 ACE 6 H3 ACE 6 21.327 -0.683 -1.996 755 H THR 7 H THR 7 20.098 -0.781 -4.146 756 HA THR 7 HA THR 7 21.179 0.989 -6.263 757 HB THR 7 HB THR 7 22.838 -0.799 -5.884 758 HG1 THR 7 HG1 THR 7 22.599 -0.104 -8.006 759 HG21 THR 7 HG21 THR 7 20.615 -2.753 -6.615 760 HG22 THR 7 HG22 THR 7 22.339 -3.145 -6.431 761 HG23 THR 7 HG23 THR 7 21.413 -2.606 -5.032 762 H THR 8 H THR 8 18.515 -0.045 -5.046 763 HA THR 8 HA THR 8 16.945 0.227 -7.482 764 HB THR 8 HB THR 8 17.701 -2.342 -6.942 765 HG1 THR 8 HG1 THR 8 15.852 -2.891 -8.196 766 HG21 THR 8 HG21 THR 8 16.272 -2.445 -4.873 767 HG22 THR 8 HG22 THR 8 14.854 -2.259 -5.938 768 HG23 THR 8 HG23 THR 8 15.929 -3.657 -6.111 769 HA PRO 9 HA PRO 9 13.764 1.857 -4.657 770 HB2 PRO 9 HB2 PRO 9 12.041 -0.287 -5.925 771 HB3 PRO 9 HB3 PRO 9 11.572 1.391 -5.476 772 HG2 PRO 9 HG2 PRO 9 12.220 0.913 -8.034 773 HG3 PRO 9 HG3 PRO 9 13.021 2.293 -7.220 774 HD2 PRO 9 HD2 PRO 9 14.080 -0.520 -7.626 775 HD3 PRO 9 HD3 PRO 9 14.898 1.038 -7.965 776 H ASP 10 H ASP 10 12.246 1.234 -2.866 777 HA ASP 10 HA ASP 10 13.483 -0.798 -1.183 778 HB2 ASP 10 HB2 ASP 10 11.140 1.094 -0.737 779 HB3 ASP 10 HB3 ASP 10 11.774 -0.010 0.483 780 HN2 TYS 11 HN2 TYS 11 13.043 -2.912 -1.608 781 HA TYS 11 HA TYS 11 10.328 -3.758 -2.386 782 HB2 TYS 11 HB2 TYS 11 13.014 -5.040 -2.962 783 HB3 TYS 11 HB3 TYS 11 11.512 -5.952 -3.015 784 HD1 TYS 11 HD1 TYS 11 9.469 -4.477 -4.102 785 HD2 TYS 11 HD2 TYS 11 13.618 -4.384 -5.228 786 HE1 TYS 11 HE1 TYS 11 8.840 -3.496 -6.151 787 HE2 TYS 11 HE2 TYS 11 12.954 -3.599 -7.461 788 H GLY 12 H GLY 12 10.142 -3.040 -0.561 789 HA2 GLY 12 HA2 GLY 12 8.851 -3.236 1.277 790 HA3 GLY 12 HA3 GLY 12 8.590 -4.867 0.689 791 H HIS 13 H HIS 13 8.284 -4.532 3.446 792 HA HIS 13 HA HIS 13 10.296 -6.488 4.279 793 HB2 HIS 13 HB2 HIS 13 10.840 -5.316 6.380 794 HB3 HIS 13 HB3 HIS 13 11.551 -4.557 4.962 795 HD1 HIS 13 HD1 HIS 13 10.524 -2.234 4.118 796 HD2 HIS 13 HD2 HIS 13 8.682 -3.851 7.573 797 HE1 HIS 13 HE1 HIS 13 8.691 -0.577 4.920 798 HE2 HIS 13 HE2 HIS 13 8.038 -1.332 7.276 799 HN2 TYS 14 HN2 TYS 14 9.777 -7.663 6.099 800 HA TYS 14 HA TYS 14 6.905 -7.634 6.735 801 HB2 TYS 14 HB2 TYS 14 9.159 -9.602 7.208 802 HB3 TYS 14 HB3 TYS 14 7.614 -9.769 7.986 803 HD1 TYS 14 HD1 TYS 14 9.031 -9.462 4.398 804 HD2 TYS 14 HD2 TYS 14 5.757 -10.780 6.936 805 HE1 TYS 14 HE1 TYS 14 8.283 -10.925 2.688 806 HE2 TYS 14 HE2 TYS 14 4.976 -12.205 5.128 807 H ASP 15 H ASP 15 5.922 -7.095 8.483 808 HA ASP 15 HA ASP 15 7.553 -5.434 10.343 809 HB2 ASP 15 HB2 ASP 15 6.072 -3.849 10.165 810 HB3 ASP 15 HB3 ASP 15 5.664 -4.611 8.644 811 H ASP 16 H ASP 16 6.852 -5.084 12.516 812 HA ASP 16 HA ASP 16 4.959 -7.028 13.660 813 HB2 ASP 16 HB2 ASP 16 7.201 -8.003 14.043 814 HB3 ASP 16 HB3 ASP 16 7.706 -6.525 14.867 815 H LYS 17 H LYS 17 6.154 -3.828 13.548 816 HA LYS 17 HA LYS 17 3.901 -3.021 15.291 817 HB2 LYS 17 HB2 LYS 17 5.289 -1.334 16.481 818 HB3 LYS 17 HB3 LYS 17 5.522 -3.001 16.935 819 HG2 LYS 17 HG2 LYS 17 7.628 -1.953 16.997 820 HG3 LYS 17 HG3 LYS 17 7.651 -3.090 15.669 821 HD2 LYS 17 HD2 LYS 17 8.833 -1.020 15.143 822 HD3 LYS 17 HD3 LYS 17 7.467 -1.259 14.059 823 HE2 LYS 17 HE2 LYS 17 6.138 0.403 15.238 824 HE3 LYS 17 HE3 LYS 17 7.362 0.536 16.506 825 HZ1 LYS 17 HZ1 LYS 17 8.910 1.406 14.865 826 HZ2 LYS 17 HZ2 LYS 17 7.563 2.336 14.916 827 HZ3 LYS 17 HZ3 LYS 17 7.781 1.283 13.666 828 H ASP 18 H ASP 18 5.605 -2.485 12.448 829 HA ASP 18 HA ASP 18 4.655 0.316 12.205 830 HB2 ASP 18 HB2 ASP 18 6.205 -1.423 10.253 831 HB3 ASP 18 HB3 ASP 18 5.760 0.274 10.023 832 H THR 19 H THR 19 3.183 -2.617 11.970 833 HA THR 19 HA THR 19 1.716 -2.665 9.703 834 HB THR 19 HB THR 19 1.580 -4.513 11.265 835 HG1 THR 19 HG1 THR 19 -0.052 -4.458 10.112 836 HG21 THR 19 HG21 THR 19 0.249 -2.733 13.287 837 HG22 THR 19 HG22 THR 19 1.909 -3.407 13.387 838 HG23 THR 19 HG23 THR 19 0.540 -4.496 13.374 839 H LEU 20 H LEU 20 -0.626 -2.464 9.345 840 HA LEU 20 HA LEU 20 -1.922 -0.112 10.585 841 HB2 LEU 20 HB2 LEU 20 -1.652 0.360 8.178 842 HB3 LEU 20 HB3 LEU 20 -2.262 -1.265 7.788 843 HG LEU 20 HG LEU 20 -4.460 -0.596 8.776 844 HD11 LEU 20 HD11 LEU 20 -4.833 1.897 9.020 845 HD12 LEU 20 HD12 LEU 20 -3.080 2.125 8.959 846 HD13 LEU 20 HD13 LEU 20 -3.815 1.206 10.294 847 HD21 LEU 20 HD21 LEU 20 -5.059 0.882 6.870 848 HD22 LEU 20 HD22 LEU 20 -4.054 -0.503 6.447 849 HD23 LEU 20 HD23 LEU 20 -3.319 1.106 6.528 850 H ASP 21 H ASP 21 -3.511 -0.794 11.842 851 HA ASP 21 HA ASP 21 -4.691 -3.475 11.707 852 HB2 ASP 21 HB2 ASP 21 -5.885 -2.732 13.700 853 HB3 ASP 21 HB3 ASP 21 -4.153 -2.521 13.885 854 H LEU 22 H LEU 22 -6.309 -3.870 10.437 855 HA LEU 22 HA LEU 22 -8.189 -1.770 9.412 856 HB2 LEU 22 HB2 LEU 22 -7.313 -4.536 8.617 857 HB3 LEU 22 HB3 LEU 22 -8.994 -4.115 8.303 858 HG LEU 22 HG LEU 22 -8.341 -2.335 6.822 859 HD11 LEU 22 HD11 LEU 22 -5.907 -1.977 6.319 860 HD12 LEU 22 HD12 LEU 22 -5.507 -2.926 7.780 861 HD13 LEU 22 HD13 LEU 22 -6.405 -1.397 7.915 862 HD21 LEU 22 HD21 LEU 22 -8.287 -4.681 6.002 863 HD22 LEU 22 HD22 LEU 22 -6.563 -4.785 6.431 864 HD23 LEU 22 HD23 LEU 22 -7.094 -3.664 5.153 865 H ASN 23 H ASN 23 -8.085 -4.824 11.191 866 HA ASN 23 HA ASN 23 -9.347 -5.945 12.556 867 HB2 ASN 23 HB2 ASN 23 -10.431 -3.266 13.398 868 HB3 ASN 23 HB3 ASN 23 -10.450 -4.767 14.331 869 HD21 ASN 23 HD21 ASN 23 -7.796 -5.712 13.995 870 HD22 ASN 23 HD22 ASN 23 -6.864 -4.560 14.936 871 H THR 24 H THR 24 -11.239 -6.784 13.207 872 HA THR 24 HA THR 24 -13.737 -6.349 11.640 873 HB THR 24 HB THR 24 -12.075 -7.581 10.291 874 HG1 THR 24 HG1 THR 24 -13.613 -9.486 10.008 875 HG21 THR 24 HG21 THR 24 -10.950 -8.840 12.073 876 HG22 THR 24 HG22 THR 24 -11.530 -9.916 10.801 877 HG23 THR 24 HG23 THR 24 -12.397 -9.807 12.351 878 HA PRO 25 HA PRO 25 -13.683 -9.105 15.669 879 HB2 PRO 25 HB2 PRO 25 -14.253 -7.471 17.800 880 HB3 PRO 25 HB3 PRO 25 -12.603 -7.723 17.158 881 HG2 PRO 25 HG2 PRO 25 -14.502 -5.432 16.542 882 HG3 PRO 25 HG3 PRO 25 -12.757 -5.369 16.988 883 HD2 PRO 25 HD2 PRO 25 -13.517 -5.244 14.377 884 HD3 PRO 25 HD3 PRO 25 -12.068 -6.111 14.943 885 H VAL 26 H VAL 26 -15.452 -10.274 16.032 886 HA VAL 26 HA VAL 26 -17.957 -9.131 16.924 887 HB VAL 26 HB VAL 26 -18.156 -8.833 14.470 888 HG11 VAL 26 HG11 VAL 26 -18.167 -11.863 14.231 889 HG12 VAL 26 HG12 VAL 26 -16.863 -10.791 13.678 890 HG13 VAL 26 HG13 VAL 26 -18.471 -10.679 12.951 891 HG21 VAL 26 HG21 VAL 26 -20.149 -9.137 15.884 892 HG22 VAL 26 HG22 VAL 26 -20.125 -10.876 15.520 893 HG23 VAL 26 HG23 VAL 26 -20.369 -9.699 14.225 894 H ASP 27 H ASP 27 -19.202 -10.654 18.062 895 HA ASP 27 HA ASP 27 -17.864 -13.288 18.549 896 HB2 ASP 27 HB2 ASP 27 -19.662 -11.586 20.311 897 HB3 ASP 27 HB3 ASP 27 -19.042 -13.180 20.736 898 H LYS 28 H LYS 28 -20.563 -12.054 16.983 899 HA LYS 28 HA LYS 28 -21.509 -14.815 16.540 900 HB2 LYS 28 HB2 LYS 28 -23.049 -13.922 18.214 901 HB3 LYS 28 HB3 LYS 28 -23.341 -12.486 17.245 902 HG2 LYS 28 HG2 LYS 28 -25.193 -14.176 17.267 903 HG3 LYS 28 HG3 LYS 28 -24.677 -13.659 15.681 904 HD2 LYS 28 HD2 LYS 28 -23.261 -15.784 15.549 905 HD3 LYS 28 HD3 LYS 28 -24.079 -16.323 17.032 906 HE2 LYS 28 HE2 LYS 28 -26.260 -16.171 15.878 907 HE3 LYS 28 HE3 LYS 28 -25.480 -15.452 14.462 908 HZ1 LYS 28 HZ1 LYS 28 -25.197 -18.231 15.432 909 HZ2 LYS 28 HZ2 LYS 28 -24.179 -17.588 14.292 910 HZ3 LYS 28 HZ3 LYS 28 -25.789 -17.743 14.010 911 HN1 NH2 29 HN1 NH2 29 -19.758 -13.831 14.871 912 HN2 NH2 29 HN2 NH2 29 -20.511 -13.188 13.422 Start of MODEL 10 1 H1 ASN 31 H1 ASN 31 7.126 1.281 -16.189 2 H2 ASN 31 H2 ASN 31 5.993 2.302 -16.780 3 H3 ASN 31 H3 ASN 31 7.371 2.905 -16.115 4 HA ASN 31 HA ASN 31 5.579 3.195 -14.571 5 HB2 ASN 31 HB2 ASN 31 4.173 1.384 -15.456 6 HB3 ASN 31 HB3 ASN 31 5.288 0.173 -14.811 7 HD21 ASN 31 HD21 ASN 31 3.296 -0.657 -13.667 8 HD22 ASN 31 HD22 ASN 31 2.704 0.236 -12.254 9 H SER 32 H SER 32 7.720 3.894 -13.891 10 HA SER 32 HA SER 32 8.662 2.423 -11.503 11 HB2 SER 32 HB2 SER 32 9.970 1.556 -13.447 12 HB3 SER 32 HB3 SER 32 10.598 3.188 -13.722 13 HG SER 32 HG SER 32 11.757 3.078 -11.915 14 H GLY 33 H GLY 33 8.329 5.406 -13.319 15 HA2 GLY 33 HA2 GLY 33 9.719 7.132 -11.393 16 HA3 GLY 33 HA3 GLY 33 8.701 7.625 -12.747 17 H LEU 34 H LEU 34 7.858 9.219 -11.066 18 HA LEU 34 HA LEU 34 6.323 8.257 -8.818 19 HB2 LEU 34 HB2 LEU 34 6.271 10.916 -10.293 20 HB3 LEU 34 HB3 LEU 34 5.386 10.583 -8.809 21 HG LEU 34 HG LEU 34 8.415 10.580 -9.092 22 HD11 LEU 34 HD11 LEU 34 6.515 12.503 -7.685 23 HD12 LEU 34 HD12 LEU 34 7.386 12.821 -9.201 24 HD13 LEU 34 HD13 LEU 34 8.292 12.599 -7.699 25 HD21 LEU 34 HD21 LEU 34 6.663 10.203 -6.629 26 HD22 LEU 34 HD22 LEU 34 8.425 10.462 -6.611 27 HD23 LEU 34 HD23 LEU 34 7.775 8.999 -7.338 28 HA PRO 35 HA PRO 35 2.544 7.431 -11.266 29 HB2 PRO 35 HB2 PRO 35 1.215 5.894 -9.495 30 HB3 PRO 35 HB3 PRO 35 2.679 5.278 -10.320 31 HG2 PRO 35 HG2 PRO 35 2.457 6.435 -7.527 32 HG3 PRO 35 HG3 PRO 35 3.316 4.953 -8.051 33 HD2 PRO 35 HD2 PRO 35 4.514 7.451 -7.712 34 HD3 PRO 35 HD3 PRO 35 5.153 6.181 -8.784 35 H THR 36 H THR 36 0.320 8.125 -11.028 36 HA THR 36 HA THR 36 -0.516 9.481 -8.528 37 HB THR 36 HB THR 36 0.475 11.268 -9.816 38 HG1 THR 36 HG1 THR 36 -2.302 11.213 -9.523 39 HG21 THR 36 HG21 THR 36 -0.548 12.097 -11.894 40 HG22 THR 36 HG22 THR 36 -1.640 10.698 -11.948 41 HG23 THR 36 HG23 THR 36 0.114 10.476 -12.141 42 H THR 37 H THR 37 -1.331 7.170 -10.732 43 HA THR 37 HA THR 37 -4.181 7.416 -9.942 44 HB THR 37 HB THR 37 -4.793 6.241 -12.074 45 HG1 THR 37 HG1 THR 37 -3.414 6.428 -13.791 46 HG21 THR 37 HG21 THR 37 -5.219 8.648 -11.790 47 HG22 THR 37 HG22 THR 37 -4.808 8.261 -13.463 48 HG23 THR 37 HG23 THR 37 -3.595 9.020 -12.412 49 H LEU 38 H LEU 38 -5.153 5.630 -9.255 50 HA LEU 38 HA LEU 38 -3.570 3.875 -7.831 51 HB2 LEU 38 HB2 LEU 38 -6.140 4.598 -7.791 52 HB3 LEU 38 HB3 LEU 38 -6.352 3.021 -8.544 53 HG LEU 38 HG LEU 38 -5.128 3.650 -5.848 54 HD11 LEU 38 HD11 LEU 38 -7.562 3.898 -5.935 55 HD12 LEU 38 HD12 LEU 38 -7.130 2.486 -4.966 56 HD13 LEU 38 HD13 LEU 38 -7.729 2.268 -6.625 57 HD21 LEU 38 HD21 LEU 38 -5.540 0.937 -7.174 58 HD22 LEU 38 HD22 LEU 38 -5.244 1.158 -5.437 59 HD23 LEU 38 HD23 LEU 38 -4.008 1.637 -6.593 60 H GLY 39 H GLY 39 -5.067 3.098 -11.039 61 HA2 GLY 39 HA2 GLY 39 -4.514 0.333 -11.041 62 HA3 GLY 39 HA3 GLY 39 -4.613 1.327 -12.492 63 H LYS 40 H LYS 40 -2.355 2.910 -12.313 64 HA LYS 40 HA LYS 40 -0.229 1.163 -13.116 65 HB2 LYS 40 HB2 LYS 40 -0.033 4.080 -12.233 66 HB3 LYS 40 HB3 LYS 40 1.163 3.169 -13.168 67 HG2 LYS 40 HG2 LYS 40 -0.708 2.802 -14.909 68 HG3 LYS 40 HG3 LYS 40 -1.621 4.041 -14.029 69 HD2 LYS 40 HD2 LYS 40 0.253 5.639 -14.425 70 HD3 LYS 40 HD3 LYS 40 1.089 4.378 -15.353 71 HE2 LYS 40 HE2 LYS 40 -0.678 4.302 -17.010 72 HE3 LYS 40 HE3 LYS 40 -1.705 5.368 -16.042 73 HZ1 LYS 40 HZ1 LYS 40 0.913 6.233 -17.175 74 HZ2 LYS 40 HZ2 LYS 40 -0.181 7.160 -16.393 75 HZ3 LYS 40 HZ3 LYS 40 -0.531 6.552 -17.873 76 H LEU 41 H LEU 41 -0.882 2.787 -10.031 77 HA LEU 41 HA LEU 41 1.482 1.859 -8.679 78 HB2 LEU 41 HB2 LEU 41 0.228 3.768 -7.860 79 HB3 LEU 41 HB3 LEU 41 -1.231 2.795 -7.671 80 HG LEU 41 HG LEU 41 -0.150 1.455 -5.909 81 HD11 LEU 41 HD11 LEU 41 2.173 3.419 -6.120 82 HD12 LEU 41 HD12 LEU 41 2.247 1.697 -6.576 83 HD13 LEU 41 HD13 LEU 41 1.948 2.145 -4.900 84 HD21 LEU 41 HD21 LEU 41 -1.422 3.454 -5.293 85 HD22 LEU 41 HD22 LEU 41 0.059 4.436 -5.396 86 HD23 LEU 41 HD23 LEU 41 -0.072 3.149 -4.170 87 H ASP 42 H ASP 42 -1.864 0.496 -8.768 88 HA ASP 42 HA ASP 42 -1.430 -1.759 -7.088 89 HB2 ASP 42 HB2 ASP 42 -3.653 -1.093 -7.621 90 HB3 ASP 42 HB3 ASP 42 -3.334 -1.081 -9.349 91 H GLU 43 H GLU 43 -0.907 -1.463 -10.588 92 HA GLU 43 HA GLU 43 -0.144 -4.229 -10.962 93 HB2 GLU 43 HB2 GLU 43 -0.921 -2.684 -12.752 94 HB3 GLU 43 HB3 GLU 43 0.601 -1.788 -12.635 95 HG2 GLU 43 HG2 GLU 43 1.866 -3.726 -13.373 96 HG3 GLU 43 HG3 GLU 43 0.458 -4.782 -13.202 97 H ARG 44 H ARG 44 1.655 -1.337 -9.996 98 HA ARG 44 HA ARG 44 4.268 -2.655 -10.003 99 HB2 ARG 44 HB2 ARG 44 3.530 -0.017 -9.921 100 HB3 ARG 44 HB3 ARG 44 3.787 -0.302 -8.200 101 HG2 ARG 44 HG2 ARG 44 6.057 -1.270 -8.779 102 HG3 ARG 44 HG3 ARG 44 5.772 -0.826 -10.467 103 HD2 ARG 44 HD2 ARG 44 5.900 1.120 -8.129 104 HD3 ARG 44 HD3 ARG 44 7.219 0.773 -9.252 105 HE ARG 44 HE ARG 44 4.955 1.613 -10.780 106 HH11 ARG 44 HH11 ARG 44 7.441 3.015 -8.671 107 HH12 ARG 44 HH12 ARG 44 7.245 4.576 -9.457 108 HH21 ARG 44 HH21 ARG 44 4.768 3.668 -11.595 109 HH22 ARG 44 HH22 ARG 44 5.813 4.926 -10.948 110 H LEU 45 H LEU 45 1.857 -1.894 -7.440 111 HA LEU 45 HA LEU 45 3.290 -3.015 -5.258 112 HB2 LEU 45 HB2 LEU 45 0.335 -2.566 -5.736 113 HB3 LEU 45 HB3 LEU 45 0.979 -3.147 -4.209 114 HG LEU 45 HG LEU 45 1.719 -0.478 -5.474 115 HD11 LEU 45 HD11 LEU 45 -0.609 -0.556 -4.732 116 HD12 LEU 45 HD12 LEU 45 0.349 0.436 -3.610 117 HD13 LEU 45 HD13 LEU 45 -0.117 -1.221 -3.169 118 HD21 LEU 45 HD21 LEU 45 2.664 0.051 -3.247 119 HD22 LEU 45 HD22 LEU 45 3.553 -1.238 -4.054 120 HD23 LEU 45 HD23 LEU 45 2.409 -1.628 -2.744 121 H ARG 46 H ARG 46 0.962 -4.657 -7.443 122 HA ARG 46 HA ARG 46 1.084 -7.229 -6.108 123 HB2 ARG 46 HB2 ARG 46 0.525 -6.425 -8.996 124 HB3 ARG 46 HB3 ARG 46 0.396 -8.092 -8.405 125 HG2 ARG 46 HG2 ARG 46 -1.340 -7.511 -6.835 126 HG3 ARG 46 HG3 ARG 46 -1.127 -5.783 -7.129 127 HD2 ARG 46 HD2 ARG 46 -1.778 -6.220 -9.547 128 HD3 ARG 46 HD3 ARG 46 -2.266 -7.846 -9.052 129 HE ARG 46 HE ARG 46 -3.438 -5.222 -8.188 130 HH11 ARG 46 HH11 ARG 46 -3.929 -8.730 -8.076 131 HH12 ARG 46 HH12 ARG 46 -5.667 -8.476 -7.865 132 HH21 ARG 46 HH21 ARG 46 -5.368 -5.075 -7.567 133 HH22 ARG 46 HH22 ARG 46 -6.442 -6.495 -7.407 134 H ASN 47 H ASN 47 3.204 -5.635 -8.442 135 HA ASN 47 HA ASN 47 4.986 -7.963 -8.687 136 HB2 ASN 47 HB2 ASN 47 4.986 -5.130 -9.737 137 HB3 ASN 47 HB3 ASN 47 6.495 -6.007 -9.644 138 HD21 ASN 47 HD21 ASN 47 3.538 -5.647 -11.418 139 HD22 ASN 47 HD22 ASN 47 3.968 -6.893 -12.611 140 H TYR 48 H TYR 48 4.914 -5.104 -6.505 141 HA TYR 48 HA TYR 48 7.480 -5.454 -5.510 142 HB2 TYR 48 HB2 TYR 48 4.975 -4.319 -4.292 143 HB3 TYR 48 HB3 TYR 48 6.282 -4.673 -3.269 144 HD1 TYR 48 HD1 TYR 48 5.256 -2.528 -6.107 145 HD2 TYR 48 HD2 TYR 48 8.064 -3.162 -2.949 146 HE1 TYR 48 HE1 TYR 48 6.034 -0.191 -6.353 147 HE2 TYR 48 HE2 TYR 48 8.916 -0.830 -3.230 148 HH TYR 48 HH TYR 48 8.528 1.216 -4.234 149 H LEU 49 H LEU 49 4.584 -7.278 -4.478 150 HA LEU 49 HA LEU 49 5.967 -8.652 -2.384 151 HB2 LEU 49 HB2 LEU 49 3.644 -9.587 -4.120 152 HB3 LEU 49 HB3 LEU 49 4.213 -10.441 -2.680 153 HG LEU 49 HG LEU 49 3.235 -7.589 -2.618 154 HD11 LEU 49 HD11 LEU 49 1.133 -8.546 -1.687 155 HD12 LEU 49 HD12 LEU 49 1.755 -10.181 -1.974 156 HD13 LEU 49 HD13 LEU 49 1.415 -9.096 -3.344 157 HD21 LEU 49 HD21 LEU 49 3.624 -9.611 -0.382 158 HD22 LEU 49 HD22 LEU 49 2.968 -7.974 -0.205 159 HD23 LEU 49 HD23 LEU 49 4.648 -8.190 -0.695 160 H LYS 50 H LYS 50 5.785 -9.497 -5.878 161 HA LYS 50 HA LYS 50 7.248 -11.981 -5.513 162 HB2 LYS 50 HB2 LYS 50 7.144 -10.291 -8.029 163 HB3 LYS 50 HB3 LYS 50 7.581 -12.003 -7.836 164 HG2 LYS 50 HG2 LYS 50 5.283 -12.554 -7.158 165 HG3 LYS 50 HG3 LYS 50 4.799 -10.860 -7.340 166 HD2 LYS 50 HD2 LYS 50 5.832 -12.661 -9.580 167 HD3 LYS 50 HD3 LYS 50 4.143 -12.231 -9.272 168 HE2 LYS 50 HE2 LYS 50 4.788 -9.797 -9.532 169 HE3 LYS 50 HE3 LYS 50 6.386 -10.312 -10.084 170 HZ1 LYS 50 HZ1 LYS 50 3.823 -11.125 -11.352 171 HZ2 LYS 50 HZ2 LYS 50 5.322 -11.404 -11.969 172 HZ3 LYS 50 HZ3 LYS 50 4.711 -9.877 -11.884 173 H LYS 51 H LYS 51 8.229 -8.679 -6.334 174 HA LYS 51 HA LYS 51 11.082 -9.109 -6.614 175 HB2 LYS 51 HB2 LYS 51 9.365 -6.695 -6.114 176 HB3 LYS 51 HB3 LYS 51 11.127 -6.625 -6.386 177 HG2 LYS 51 HG2 LYS 51 10.822 -7.755 -8.558 178 HG3 LYS 51 HG3 LYS 51 9.060 -7.764 -8.300 179 HD2 LYS 51 HD2 LYS 51 9.048 -5.317 -8.244 180 HD3 LYS 51 HD3 LYS 51 10.820 -5.309 -8.550 181 HE2 LYS 51 HE2 LYS 51 10.385 -6.716 -10.574 182 HE3 LYS 51 HE3 LYS 51 8.643 -6.506 -10.298 183 HZ1 LYS 51 HZ1 LYS 51 8.915 -4.149 -10.679 184 HZ2 LYS 51 HZ2 LYS 51 9.580 -4.964 -11.949 185 HZ3 LYS 51 HZ3 LYS 51 10.554 -4.292 -10.808 186 H GLY 52 H GLY 52 9.101 -8.868 -3.798 187 HA2 GLY 52 HA2 GLY 52 11.388 -7.966 -2.128 188 HA3 GLY 52 HA3 GLY 52 9.680 -7.668 -1.923 189 H THR 53 H THR 53 8.633 -10.353 -2.064 190 HA THR 53 HA THR 53 9.412 -11.239 0.641 191 HB THR 53 HB THR 53 7.285 -12.234 0.759 192 HG1 THR 53 HG1 THR 53 6.896 -11.535 -2.007 193 HG21 THR 53 HG21 THR 53 5.689 -10.455 0.381 194 HG22 THR 53 HG22 THR 53 6.886 -9.550 -0.577 195 HG23 THR 53 HG23 THR 53 7.167 -9.879 1.142 196 H LYS 54 H LYS 54 9.176 -13.607 1.159 197 HA LYS 54 HA LYS 54 10.699 -15.261 -0.667 198 HB2 LYS 54 HB2 LYS 54 9.287 -15.964 1.923 199 HB3 LYS 54 HB3 LYS 54 10.393 -17.020 1.053 200 HG2 LYS 54 HG2 LYS 54 12.273 -15.539 1.431 201 HG3 LYS 54 HG3 LYS 54 11.222 -14.273 2.078 202 HD2 LYS 54 HD2 LYS 54 10.574 -15.778 3.953 203 HD3 LYS 54 HD3 LYS 54 11.777 -16.960 3.386 204 HE2 LYS 54 HE2 LYS 54 13.574 -15.296 3.689 205 HE3 LYS 54 HE3 LYS 54 12.382 -14.053 4.085 206 HZ1 LYS 54 HZ1 LYS 54 13.111 -16.399 5.747 207 HZ2 LYS 54 HZ2 LYS 54 11.740 -15.511 6.014 208 HZ3 LYS 54 HZ3 LYS 54 13.208 -14.826 6.145 209 H ASN 55 H ASN 55 7.275 -14.994 0.178 210 HA ASN 55 HA ASN 55 6.528 -16.234 -2.356 211 HB2 ASN 55 HB2 ASN 55 6.494 -18.199 -0.861 212 HB3 ASN 55 HB3 ASN 55 5.655 -17.269 0.392 213 HD21 ASN 55 HD21 ASN 55 3.892 -18.794 0.428 214 HD22 ASN 55 HD22 ASN 55 2.742 -18.843 -0.897 215 H SER 56 H SER 56 5.303 -14.800 -3.258 216 HA SER 56 HA SER 56 3.761 -12.791 -1.879 217 HB2 SER 56 HB2 SER 56 3.041 -12.204 -4.200 218 HB3 SER 56 HB3 SER 56 4.800 -12.340 -4.026 219 HG SER 56 HG SER 56 4.808 -14.235 -5.092 220 H ALA 57 H ALA 57 2.880 -16.065 -2.800 221 HA ALA 57 HA ALA 57 0.164 -15.464 -3.532 222 HB1 ALA 57 HB1 ALA 57 -0.029 -17.887 -3.785 223 HB2 ALA 57 HB2 ALA 57 1.481 -18.134 -2.886 224 HB3 ALA 57 HB3 ALA 57 1.506 -17.324 -4.471 225 H GLN 58 H GLN 58 1.477 -15.836 -0.398 226 HA GLN 58 HA GLN 58 -0.894 -16.930 0.900 227 HB2 GLN 58 HB2 GLN 58 0.297 -16.441 2.965 228 HB3 GLN 58 HB3 GLN 58 1.348 -17.273 1.819 229 HG2 GLN 58 HG2 GLN 58 2.393 -15.054 1.223 230 HG3 GLN 58 HG3 GLN 58 1.397 -14.271 2.411 231 HE21 GLN 58 HE21 GLN 58 4.438 -14.998 1.912 232 HE22 GLN 58 HE22 GLN 58 4.906 -15.517 3.507 233 H PHE 59 H PHE 59 -0.101 -13.834 -0.327 234 HA PHE 59 HA PHE 59 -1.585 -12.261 1.639 235 HB2 PHE 59 HB2 PHE 59 -0.149 -11.523 -0.900 236 HB3 PHE 59 HB3 PHE 59 -0.989 -10.382 0.145 237 HD1 PHE 59 HD1 PHE 59 -0.208 -9.933 2.472 238 HD2 PHE 59 HD2 PHE 59 2.042 -12.477 -0.173 239 HE1 PHE 59 HE1 PHE 59 1.771 -9.725 3.949 240 HE2 PHE 59 HE2 PHE 59 4.010 -12.297 1.322 241 HZ PHE 59 HZ PHE 59 3.887 -10.906 3.373 242 H GLU 60 H GLU 60 -3.427 -11.004 1.234 243 HA GLU 60 HA GLU 60 -5.324 -12.145 -0.810 244 HB2 GLU 60 HB2 GLU 60 -5.693 -13.351 1.180 245 HB3 GLU 60 HB3 GLU 60 -5.564 -11.913 2.199 246 HG2 GLU 60 HG2 GLU 60 -7.693 -11.060 1.356 247 HG3 GLU 60 HG3 GLU 60 -7.808 -12.398 0.199 248 H LYS 61 H LYS 61 -4.651 -9.368 1.401 249 HA LYS 61 HA LYS 61 -5.539 -7.678 -0.800 250 HB2 LYS 61 HB2 LYS 61 -7.155 -6.408 0.203 251 HB3 LYS 61 HB3 LYS 61 -7.597 -8.044 0.619 252 HG2 LYS 61 HG2 LYS 61 -6.832 -7.673 2.944 253 HG3 LYS 61 HG3 LYS 61 -6.245 -6.051 2.511 254 HD2 LYS 61 HD2 LYS 61 -8.482 -5.307 1.908 255 HD3 LYS 61 HD3 LYS 61 -9.088 -6.953 2.020 256 HE2 LYS 61 HE2 LYS 61 -8.364 -6.784 4.544 257 HE3 LYS 61 HE3 LYS 61 -8.356 -5.042 4.219 258 HZ1 LYS 61 HZ1 LYS 61 -10.713 -5.263 3.515 259 HZ2 LYS 61 HZ2 LYS 61 -10.486 -5.700 5.072 260 HZ3 LYS 61 HZ3 LYS 61 -10.688 -6.862 3.946 261 H MET 62 H MET 62 -5.271 -5.368 -0.275 262 HA MET 62 HA MET 62 -2.961 -4.743 1.448 263 HB2 MET 62 HB2 MET 62 -1.687 -3.697 -0.330 264 HB3 MET 62 HB3 MET 62 -1.973 -5.393 -0.724 265 HG2 MET 62 HG2 MET 62 -3.754 -4.774 -2.289 266 HG3 MET 62 HG3 MET 62 -3.565 -3.066 -1.868 267 HE1 MET 62 HE1 MET 62 -3.582 -4.220 -4.828 268 HE2 MET 62 HE2 MET 62 -2.251 -3.316 -5.573 269 HE3 MET 62 HE3 MET 62 -3.383 -2.486 -4.482 270 H VAL 63 H VAL 63 -2.675 -2.475 1.808 271 HA VAL 63 HA VAL 63 -4.891 -0.693 0.998 272 HB VAL 63 HB VAL 63 -5.510 -1.759 3.166 273 HG11 VAL 63 HG11 VAL 63 -4.335 -1.624 5.062 274 HG12 VAL 63 HG12 VAL 63 -3.320 -0.236 4.526 275 HG13 VAL 63 HG13 VAL 63 -3.034 -1.856 3.897 276 HG21 VAL 63 HG21 VAL 63 -4.940 1.218 3.442 277 HG22 VAL 63 HG22 VAL 63 -6.024 0.247 4.459 278 HG23 VAL 63 HG23 VAL 63 -6.403 0.479 2.752 279 H ILE 64 H ILE 64 -4.306 1.393 0.744 280 HA ILE 64 HA ILE 64 -1.356 1.950 0.751 281 HB ILE 64 HB ILE 64 -3.543 2.814 -1.176 282 HG12 ILE 64 HG12 ILE 64 -1.313 0.854 -1.831 283 HG13 ILE 64 HG13 ILE 64 -2.871 0.293 -1.240 284 HG21 ILE 64 HG21 ILE 64 -0.511 3.116 -1.403 285 HG22 ILE 64 HG22 ILE 64 -1.645 4.430 -1.011 286 HG23 ILE 64 HG23 ILE 64 -1.720 3.660 -2.586 287 HD11 ILE 64 HD11 ILE 64 -2.441 1.843 -3.805 288 HD12 ILE 64 HD12 ILE 64 -4.026 1.397 -3.126 289 HD13 ILE 64 HD13 ILE 64 -2.883 0.137 -3.619 290 H LEU 65 H LEU 65 -0.726 3.691 1.924 291 HA LEU 65 HA LEU 65 -2.775 5.733 2.680 292 HB2 LEU 65 HB2 LEU 65 -0.270 5.185 4.282 293 HB3 LEU 65 HB3 LEU 65 -1.686 6.144 4.694 294 HG LEU 65 HG LEU 65 -1.515 3.127 4.624 295 HD11 LEU 65 HD11 LEU 65 -2.174 5.101 6.851 296 HD12 LEU 65 HD12 LEU 65 -0.573 4.395 6.595 297 HD13 LEU 65 HD13 LEU 65 -1.947 3.348 7.015 298 HD21 LEU 65 HD21 LEU 65 -3.923 4.941 5.108 299 HD22 LEU 65 HD22 LEU 65 -3.875 3.207 5.515 300 HD23 LEU 65 HD23 LEU 65 -3.772 3.720 3.833 301 H THR 66 H THR 66 -2.499 7.545 1.623 302 HA THR 66 HA THR 66 0.226 8.277 0.623 303 HB THR 66 HB THR 66 -0.834 9.740 -0.933 304 HG1 THR 66 HG1 THR 66 -2.590 10.464 0.118 305 HG21 THR 66 HG21 THR 66 -0.652 7.364 -1.613 306 HG22 THR 66 HG22 THR 66 -2.017 8.193 -2.382 307 HG23 THR 66 HG23 THR 66 -2.310 7.081 -1.034 308 H GLU 67 H GLU 67 0.739 10.648 0.604 309 HA GLU 67 HA GLU 67 0.109 12.069 3.016 310 HB2 GLU 67 HB2 GLU 67 0.707 13.451 0.415 311 HB3 GLU 67 HB3 GLU 67 1.084 13.953 2.062 312 HG2 GLU 67 HG2 GLU 67 2.612 11.792 2.092 313 HG3 GLU 67 HG3 GLU 67 2.445 11.857 0.345 314 H ASN 68 H ASN 68 -1.229 14.116 3.045 315 HA ASN 68 HA ASN 68 -3.253 15.146 3.003 316 HB2 ASN 68 HB2 ASN 68 -3.529 14.131 0.164 317 HB3 ASN 68 HB3 ASN 68 -4.317 15.528 0.847 318 HD21 ASN 68 HD21 ASN 68 -1.883 14.755 -1.173 319 HD22 ASN 68 HD22 ASN 68 -0.674 15.982 -0.733 320 H LYS 69 H LYS 69 -3.093 12.575 4.092 321 HA LYS 69 HA LYS 69 -4.243 10.829 4.928 322 HB2 LYS 69 HB2 LYS 69 -6.256 13.083 4.929 323 HB3 LYS 69 HB3 LYS 69 -6.654 11.538 5.671 324 HG2 LYS 69 HG2 LYS 69 -4.109 13.010 6.407 325 HG3 LYS 69 HG3 LYS 69 -5.652 13.343 7.176 326 HD2 LYS 69 HD2 LYS 69 -5.848 11.147 8.079 327 HD3 LYS 69 HD3 LYS 69 -4.560 10.506 7.051 328 HE2 LYS 69 HE2 LYS 69 -2.890 11.877 8.187 329 HE3 LYS 69 HE3 LYS 69 -4.139 12.607 9.212 330 HZ1 LYS 69 HZ1 LYS 69 -2.859 10.647 10.199 331 HZ2 LYS 69 HZ2 LYS 69 -3.635 9.678 9.155 332 HZ3 LYS 69 HZ3 LYS 69 -4.498 10.531 10.276 333 H GLY 70 H GLY 70 -4.266 10.777 1.956 334 HA2 GLY 70 HA2 GLY 70 -6.661 9.395 1.157 335 HA3 GLY 70 HA3 GLY 70 -5.080 9.203 0.411 336 H TYR 71 H TYR 71 -7.300 7.390 1.344 337 HA TYR 71 HA TYR 71 -5.647 5.179 2.424 338 HB2 TYR 71 HB2 TYR 71 -6.729 6.257 4.376 339 HB3 TYR 71 HB3 TYR 71 -8.297 6.097 3.617 340 HD1 TYR 71 HD1 TYR 71 -9.099 3.616 3.072 341 HD2 TYR 71 HD2 TYR 71 -6.045 4.617 5.972 342 HE1 TYR 71 HE1 TYR 71 -9.534 1.492 4.297 343 HE2 TYR 71 HE2 TYR 71 -6.557 2.563 7.218 344 HH TYR 71 HH TYR 71 -7.921 0.733 7.411 345 H TYR 72 H TYR 72 -5.912 3.576 0.985 346 HA TYR 72 HA TYR 72 -8.521 3.150 -0.431 347 HB2 TYR 72 HB2 TYR 72 -5.782 3.037 -1.753 348 HB3 TYR 72 HB3 TYR 72 -7.341 2.849 -2.522 349 HD1 TYR 72 HD1 TYR 72 -4.977 5.280 -0.986 350 HD2 TYR 72 HD2 TYR 72 -8.584 4.768 -3.300 351 HE1 TYR 72 HE1 TYR 72 -4.908 7.689 -1.634 352 HE2 TYR 72 HE2 TYR 72 -8.490 7.162 -3.974 353 HH TYR 72 HH TYR 72 -7.406 9.168 -3.729 354 H THR 73 H THR 73 -8.949 0.888 -0.845 355 HA THR 73 HA THR 73 -6.875 -1.043 0.106 356 HB THR 73 HB THR 73 -8.371 -0.505 1.977 357 HG1 THR 73 HG1 THR 73 -8.766 -2.635 2.476 358 HG21 THR 73 HG21 THR 73 -10.581 -1.904 0.421 359 HG22 THR 73 HG22 THR 73 -10.502 -0.148 0.683 360 HG23 THR 73 HG23 THR 73 -10.659 -1.235 2.063 361 H VAL 74 H VAL 74 -6.796 -2.999 -0.895 362 HA VAL 74 HA VAL 74 -8.674 -3.528 -3.163 363 HB VAL 74 HB VAL 74 -5.652 -3.234 -3.442 364 HG11 VAL 74 HG11 VAL 74 -6.471 -5.023 -4.898 365 HG12 VAL 74 HG12 VAL 74 -6.086 -3.606 -5.859 366 HG13 VAL 74 HG13 VAL 74 -7.787 -3.977 -5.493 367 HG21 VAL 74 HG21 VAL 74 -6.693 -1.017 -3.407 368 HG22 VAL 74 HG22 VAL 74 -7.900 -1.537 -4.605 369 HG23 VAL 74 HG23 VAL 74 -6.182 -1.414 -5.045 370 H TYR 75 H TYR 75 -9.253 -5.583 -3.104 371 HA TYR 75 HA TYR 75 -7.704 -7.691 -1.798 372 HB2 TYR 75 HB2 TYR 75 -10.239 -7.628 -3.442 373 HB3 TYR 75 HB3 TYR 75 -9.415 -9.141 -3.100 374 HD1 TYR 75 HD1 TYR 75 -11.144 -6.243 -1.487 375 HD2 TYR 75 HD2 TYR 75 -9.361 -10.136 -0.913 376 HE1 TYR 75 HE1 TYR 75 -12.063 -6.334 0.827 377 HE2 TYR 75 HE2 TYR 75 -10.287 -10.220 1.385 378 HH TYR 75 HH TYR 75 -11.586 -9.169 2.958 379 H LEU 76 H LEU 76 -6.182 -8.863 -2.570 380 HA LEU 76 HA LEU 76 -5.025 -8.447 -5.237 381 HB2 LEU 76 HB2 LEU 76 -4.293 -10.204 -2.853 382 HB3 LEU 76 HB3 LEU 76 -3.310 -10.063 -4.304 383 HG LEU 76 HG LEU 76 -4.023 -7.629 -2.601 384 HD11 LEU 76 HD11 LEU 76 -1.840 -7.834 -1.566 385 HD12 LEU 76 HD12 LEU 76 -1.544 -9.373 -2.418 386 HD13 LEU 76 HD13 LEU 76 -2.834 -9.247 -1.196 387 HD21 LEU 76 HD21 LEU 76 -1.815 -8.170 -4.628 388 HD22 LEU 76 HD22 LEU 76 -2.009 -6.682 -3.683 389 HD23 LEU 76 HD23 LEU 76 -3.230 -7.119 -4.882 390 H ASN 77 H ASN 77 -7.059 -10.805 -3.657 391 HA ASN 77 HA ASN 77 -6.775 -13.105 -5.199 392 HB2 ASN 77 HB2 ASN 77 -9.281 -11.832 -3.996 393 HB3 ASN 77 HB3 ASN 77 -9.223 -13.461 -4.648 394 HD21 ASN 77 HD21 ASN 77 -10.128 -13.411 -2.279 395 HD22 ASN 77 HD22 ASN 77 -8.921 -14.043 -1.145 396 H THR 78 H THR 78 -8.039 -10.061 -6.359 397 HA THR 78 HA THR 78 -8.983 -11.295 -8.873 398 HB THR 78 HB THR 78 -10.926 -9.820 -8.910 399 HG1 THR 78 HG1 THR 78 -11.480 -8.597 -7.168 400 HG21 THR 78 HG21 THR 78 -10.940 -11.305 -6.244 401 HG22 THR 78 HG22 THR 78 -11.205 -12.072 -7.827 402 HG23 THR 78 HG23 THR 78 -12.339 -10.845 -7.233 403 HA PRO 79 HA PRO 79 -6.819 -7.747 -10.602 404 HB2 PRO 79 HB2 PRO 79 -8.941 -7.529 -12.691 405 HB3 PRO 79 HB3 PRO 79 -7.186 -7.803 -12.891 406 HG2 PRO 79 HG2 PRO 79 -8.969 -9.823 -13.316 407 HG3 PRO 79 HG3 PRO 79 -7.415 -10.126 -12.460 408 HD2 PRO 79 HD2 PRO 79 -10.123 -9.592 -11.211 409 HD3 PRO 79 HD3 PRO 79 -9.000 -10.951 -10.916 410 H LEU 80 H LEU 80 -6.953 -5.504 -10.419 411 HA LEU 80 HA LEU 80 -8.985 -4.224 -8.976 412 HB2 LEU 80 HB2 LEU 80 -6.565 -3.521 -9.393 413 HB3 LEU 80 HB3 LEU 80 -7.064 -3.021 -11.009 414 HG LEU 80 HG LEU 80 -8.679 -1.405 -9.941 415 HD11 LEU 80 HD11 LEU 80 -7.160 -2.224 -7.432 416 HD12 LEU 80 HD12 LEU 80 -8.897 -2.471 -7.705 417 HD13 LEU 80 HD13 LEU 80 -8.254 -0.828 -7.534 418 HD21 LEU 80 HD21 LEU 80 -5.793 -1.050 -9.061 419 HD22 LEU 80 HD22 LEU 80 -6.986 0.236 -9.329 420 HD23 LEU 80 HD23 LEU 80 -6.403 -0.740 -10.691 421 H ALA 81 H ALA 81 -10.931 -3.347 -9.507 422 HA ALA 81 HA ALA 81 -12.174 -3.800 -12.016 423 HB1 ALA 81 HB1 ALA 81 -12.906 -1.847 -9.806 424 HB2 ALA 81 HB2 ALA 81 -13.422 -3.543 -9.941 425 HB3 ALA 81 HB3 ALA 81 -13.969 -2.342 -11.127 426 H GLU 82 H GLU 82 -12.665 -2.516 -13.789 427 HA GLU 82 HA GLU 82 -10.503 -0.959 -14.635 428 HB2 GLU 82 HB2 GLU 82 -11.651 -0.683 -16.715 429 HB3 GLU 82 HB3 GLU 82 -11.879 -2.313 -16.081 430 HG2 GLU 82 HG2 GLU 82 -14.153 -1.563 -15.216 431 HG3 GLU 82 HG3 GLU 82 -13.917 -0.053 -16.101 432 H ASP 83 H ASP 83 -13.394 0.360 -13.095 433 HA ASP 83 HA ASP 83 -12.780 3.128 -13.827 434 HB2 ASP 83 HB2 ASP 83 -14.469 3.697 -12.183 435 HB3 ASP 83 HB3 ASP 83 -15.047 2.396 -13.226 436 H ARG 84 H ARG 84 -12.018 0.951 -11.139 437 HA ARG 84 HA ARG 84 -10.692 2.912 -9.437 438 HB2 ARG 84 HB2 ARG 84 -10.386 -0.117 -9.463 439 HB3 ARG 84 HB3 ARG 84 -9.978 0.987 -8.151 440 HG2 ARG 84 HG2 ARG 84 -12.409 1.524 -7.889 441 HG3 ARG 84 HG3 ARG 84 -12.784 0.407 -9.209 442 HD2 ARG 84 HD2 ARG 84 -13.159 -0.845 -7.245 443 HD3 ARG 84 HD3 ARG 84 -11.607 -1.422 -7.875 444 HE ARG 84 HE ARG 84 -11.444 0.778 -5.919 445 HH11 ARG 84 HH11 ARG 84 -11.245 -2.747 -6.188 446 HH12 ARG 84 HH12 ARG 84 -10.790 -2.895 -4.517 447 HH21 ARG 84 HH21 ARG 84 -10.724 0.556 -4.029 448 HH22 ARG 84 HH22 ARG 84 -10.350 -1.002 -3.303 449 H LYS 85 H LYS 85 -9.660 0.792 -12.071 450 HA LYS 85 HA LYS 85 -6.820 1.160 -11.859 451 HB2 LYS 85 HB2 LYS 85 -8.624 0.813 -14.283 452 HB3 LYS 85 HB3 LYS 85 -6.867 0.900 -14.389 453 HG2 LYS 85 HG2 LYS 85 -6.675 -1.084 -12.905 454 HG3 LYS 85 HG3 LYS 85 -8.445 -1.233 -12.889 455 HD2 LYS 85 HD2 LYS 85 -8.410 -1.466 -15.385 456 HD3 LYS 85 HD3 LYS 85 -6.649 -1.299 -15.348 457 HE2 LYS 85 HE2 LYS 85 -6.636 -3.321 -13.754 458 HE3 LYS 85 HE3 LYS 85 -8.334 -3.553 -14.183 459 HZ1 LYS 85 HZ1 LYS 85 -6.878 -4.866 -15.601 460 HZ2 LYS 85 HZ2 LYS 85 -6.040 -3.531 -16.066 461 HZ3 LYS 85 HZ3 LYS 85 -7.615 -3.705 -16.523 462 H ASN 86 H ASN 86 -9.274 3.448 -12.657 463 HA ASN 86 HA ASN 86 -7.301 5.347 -13.847 464 HB2 ASN 86 HB2 ASN 86 -10.184 4.618 -14.557 465 HB3 ASN 86 HB3 ASN 86 -9.354 6.026 -15.208 466 HD21 ASN 86 HD21 ASN 86 -9.783 2.617 -15.623 467 HD22 ASN 86 HD22 ASN 86 -8.473 2.430 -16.792 468 H VAL 87 H VAL 87 -8.264 5.107 -10.921 469 HA VAL 87 HA VAL 87 -9.503 7.792 -10.642 470 HB VAL 87 HB VAL 87 -10.388 5.723 -9.480 471 HG11 VAL 87 HG11 VAL 87 -9.444 5.012 -7.394 472 HG12 VAL 87 HG12 VAL 87 -8.098 6.170 -7.536 473 HG13 VAL 87 HG13 VAL 87 -8.240 4.811 -8.671 474 HG21 VAL 87 HG21 VAL 87 -11.050 8.018 -8.860 475 HG22 VAL 87 HG22 VAL 87 -9.680 8.112 -7.727 476 HG23 VAL 87 HG23 VAL 87 -10.993 6.947 -7.454 477 H GLU 88 H GLU 88 -8.416 9.533 -9.887 478 HA GLU 88 HA GLU 88 -5.576 9.574 -9.724 479 HB2 GLU 88 HB2 GLU 88 -7.384 11.406 -10.286 480 HB3 GLU 88 HB3 GLU 88 -7.393 11.694 -8.541 481 HG2 GLU 88 HG2 GLU 88 -4.899 12.071 -8.677 482 HG3 GLU 88 HG3 GLU 88 -5.005 11.765 -10.420 483 H LEU 89 H LEU 89 -4.173 9.841 -7.994 484 HA LEU 89 HA LEU 89 -5.027 8.886 -5.327 485 HB2 LEU 89 HB2 LEU 89 -2.345 9.598 -6.596 486 HB3 LEU 89 HB3 LEU 89 -2.503 9.038 -4.945 487 HG LEU 89 HG LEU 89 -3.308 7.420 -7.403 488 HD11 LEU 89 HD11 LEU 89 -1.351 6.052 -6.912 489 HD12 LEU 89 HD12 LEU 89 -0.943 7.081 -5.516 490 HD13 LEU 89 HD13 LEU 89 -0.849 7.730 -7.158 491 HD21 LEU 89 HD21 LEU 89 -3.403 5.512 -5.797 492 HD22 LEU 89 HD22 LEU 89 -4.646 6.721 -5.468 493 HD23 LEU 89 HD23 LEU 89 -3.185 6.650 -4.453 494 H LEU 90 H LEU 90 -4.979 10.093 -3.435 495 HA LEU 90 HA LEU 90 -5.248 12.967 -3.592 496 HB2 LEU 90 HB2 LEU 90 -5.307 10.866 -1.416 497 HB3 LEU 90 HB3 LEU 90 -5.262 12.559 -0.957 498 HG LEU 90 HG LEU 90 -7.366 11.508 -2.883 499 HD11 LEU 90 HD11 LEU 90 -8.891 11.454 -0.919 500 HD12 LEU 90 HD12 LEU 90 -7.503 11.753 0.154 501 HD13 LEU 90 HD13 LEU 90 -7.602 10.254 -0.803 502 HD21 LEU 90 HD21 LEU 90 -7.051 13.966 -2.848 503 HD22 LEU 90 HD22 LEU 90 -7.241 13.964 -1.083 504 HD23 LEU 90 HD23 LEU 90 -8.598 13.508 -2.138 505 H GLY 91 H GLY 91 -2.470 10.985 -2.861 506 HA2 GLY 91 HA2 GLY 91 -0.729 13.302 -2.926 507 HA3 GLY 91 HA3 GLY 91 -0.821 12.577 -1.317 508 H LYS 92 H LYS 92 1.570 12.489 -2.124 509 HA LYS 92 HA LYS 92 2.455 10.378 -3.839 510 HB2 LYS 92 HB2 LYS 92 3.648 12.165 -1.723 511 HB3 LYS 92 HB3 LYS 92 4.504 10.726 -2.142 512 HG2 LYS 92 HG2 LYS 92 5.451 12.317 -3.510 513 HG3 LYS 92 HG3 LYS 92 4.407 11.377 -4.578 514 HD2 LYS 92 HD2 LYS 92 2.680 13.215 -4.402 515 HD3 LYS 92 HD3 LYS 92 3.817 14.116 -3.367 516 HE2 LYS 92 HE2 LYS 92 5.521 13.950 -5.216 517 HE3 LYS 92 HE3 LYS 92 4.271 13.239 -6.251 518 HZ1 LYS 92 HZ1 LYS 92 4.461 15.596 -6.623 519 HZ2 LYS 92 HZ2 LYS 92 4.192 15.947 -5.027 520 HZ3 LYS 92 HZ3 LYS 92 2.986 15.309 -5.956 521 H MET 93 H MET 93 3.251 8.350 -3.461 522 HA MET 93 HA MET 93 1.786 6.632 -1.694 523 HB2 MET 93 HB2 MET 93 2.567 6.008 -3.986 524 HB3 MET 93 HB3 MET 93 4.231 6.036 -3.399 525 HG2 MET 93 HG2 MET 93 3.278 4.203 -1.684 526 HG3 MET 93 HG3 MET 93 2.040 4.036 -2.913 527 HE1 MET 93 HE1 MET 93 5.582 3.109 -1.747 528 HE2 MET 93 HE2 MET 93 5.812 1.724 -2.844 529 HE3 MET 93 HE3 MET 93 4.370 1.804 -1.810 530 H TYR 94 H TYR 94 2.661 8.059 0.267 531 HA TYR 94 HA TYR 94 5.216 7.728 1.294 532 HB2 TYR 94 HB2 TYR 94 3.767 9.347 2.232 533 HB3 TYR 94 HB3 TYR 94 2.546 8.189 2.576 534 HD1 TYR 94 HD1 TYR 94 6.226 8.216 3.453 535 HD2 TYR 94 HD2 TYR 94 2.161 8.223 4.881 536 HE1 TYR 94 HE1 TYR 94 7.044 8.032 5.785 537 HE2 TYR 94 HE2 TYR 94 2.984 8.058 7.226 538 HH TYR 94 HH TYR 94 6.468 7.790 7.993 539 H LYS 95 H LYS 95 2.431 5.499 2.011 540 HA LYS 95 HA LYS 95 4.249 3.319 1.775 541 HB2 LYS 95 HB2 LYS 95 3.954 2.274 4.052 542 HB3 LYS 95 HB3 LYS 95 5.005 3.661 3.946 543 HG2 LYS 95 HG2 LYS 95 3.130 5.103 4.811 544 HG3 LYS 95 HG3 LYS 95 2.171 3.629 5.075 545 HD2 LYS 95 HD2 LYS 95 3.831 2.778 6.659 546 HD3 LYS 95 HD3 LYS 95 4.979 4.027 6.176 547 HE2 LYS 95 HE2 LYS 95 3.223 5.736 6.955 548 HE3 LYS 95 HE3 LYS 95 2.438 4.387 7.800 549 HZ1 LYS 95 HZ1 LYS 95 5.298 5.123 8.181 550 HZ2 LYS 95 HZ2 LYS 95 4.388 4.124 9.138 551 HZ3 LYS 95 HZ3 LYS 95 4.073 5.722 9.112 552 H THR 96 H THR 96 3.346 1.181 2.211 553 HA THR 96 HA THR 96 0.373 0.932 1.884 554 HB THR 96 HB THR 96 2.444 -0.667 0.320 555 HG1 THR 96 HG1 THR 96 2.128 1.575 -0.094 556 HG21 THR 96 HG21 THR 96 0.579 -1.403 -1.068 557 HG22 THR 96 HG22 THR 96 -0.572 -0.480 -0.086 558 HG23 THR 96 HG23 THR 96 0.271 -1.886 0.591 559 H TYR 97 H TYR 97 -0.456 -0.943 2.742 560 HA TYR 97 HA TYR 97 1.366 -2.768 4.276 561 HB2 TYR 97 HB2 TYR 97 -1.365 -1.802 5.230 562 HB3 TYR 97 HB3 TYR 97 -0.350 -2.983 5.983 563 HD1 TYR 97 HD1 TYR 97 -0.724 0.634 5.258 564 HD2 TYR 97 HD2 TYR 97 1.619 -2.403 7.218 565 HE1 TYR 97 HE1 TYR 97 0.423 2.378 6.642 566 HE2 TYR 97 HE2 TYR 97 2.733 -0.677 8.584 567 HH TYR 97 HH TYR 97 2.531 1.491 9.343 568 H PHE 98 H PHE 98 0.754 -4.923 4.418 569 HA PHE 98 HA PHE 98 -1.340 -5.914 2.521 570 HB2 PHE 98 HB2 PHE 98 1.572 -6.683 2.824 571 HB3 PHE 98 HB3 PHE 98 0.418 -7.616 1.902 572 HD1 PHE 98 HD1 PHE 98 2.172 -4.295 2.024 573 HD2 PHE 98 HD2 PHE 98 -0.062 -7.122 -0.332 574 HE1 PHE 98 HE1 PHE 98 2.726 -3.024 -0.047 575 HE2 PHE 98 HE2 PHE 98 0.554 -5.890 -2.403 576 HZ PHE 98 HZ PHE 98 1.968 -3.861 -2.255 577 H PHE 99 H PHE 99 -2.226 -7.874 2.955 578 HA PHE 99 HA PHE 99 -1.857 -9.006 5.709 579 HB2 PHE 99 HB2 PHE 99 -4.473 -8.469 4.245 580 HB3 PHE 99 HB3 PHE 99 -4.286 -8.981 5.907 581 HD1 PHE 99 HD1 PHE 99 -3.995 -6.186 3.529 582 HD2 PHE 99 HD2 PHE 99 -3.749 -7.293 7.683 583 HE1 PHE 99 HE1 PHE 99 -3.777 -3.831 4.127 584 HE2 PHE 99 HE2 PHE 99 -3.603 -4.889 8.289 585 HZ PHE 99 HZ PHE 99 -3.498 -3.158 6.528 586 H LYS 100 H LYS 100 -1.835 -11.189 5.823 587 HA LYS 100 HA LYS 100 -2.130 -12.816 3.394 588 HB2 LYS 100 HB2 LYS 100 -1.652 -13.708 6.254 589 HB3 LYS 100 HB3 LYS 100 -1.733 -14.750 4.825 590 HG2 LYS 100 HG2 LYS 100 0.457 -14.570 4.986 591 HG3 LYS 100 HG3 LYS 100 0.117 -13.297 3.815 592 HD2 LYS 100 HD2 LYS 100 0.602 -11.568 5.332 593 HD3 LYS 100 HD3 LYS 100 0.381 -12.594 6.744 594 HE2 LYS 100 HE2 LYS 100 2.651 -12.952 4.754 595 HE3 LYS 100 HE3 LYS 100 2.771 -12.053 6.277 596 HZ1 LYS 100 HZ1 LYS 100 3.529 -14.259 6.640 597 HZ2 LYS 100 HZ2 LYS 100 2.197 -14.939 5.995 598 HZ3 LYS 100 HZ3 LYS 100 2.091 -14.110 7.436 599 H LYS 101 H LYS 101 -3.408 -14.722 3.354 600 HA LYS 101 HA LYS 101 -6.199 -14.388 3.348 601 HB2 LYS 101 HB2 LYS 101 -4.486 -16.868 3.619 602 HB3 LYS 101 HB3 LYS 101 -6.231 -16.925 3.332 603 HG2 LYS 101 HG2 LYS 101 -6.023 -15.901 1.177 604 HG3 LYS 101 HG3 LYS 101 -4.357 -15.397 1.477 605 HD2 LYS 101 HD2 LYS 101 -3.654 -17.790 1.575 606 HD3 LYS 101 HD3 LYS 101 -5.310 -18.268 1.142 607 HE2 LYS 101 HE2 LYS 101 -5.122 -17.012 -0.985 608 HE3 LYS 101 HE3 LYS 101 -3.508 -16.447 -0.533 609 HZ1 LYS 101 HZ1 LYS 101 -4.204 -19.315 -0.927 610 HZ2 LYS 101 HZ2 LYS 101 -2.718 -18.711 -0.575 611 HZ3 LYS 101 HZ3 LYS 101 -3.386 -18.382 -2.007 612 H GLY 102 H GLY 102 -7.237 -13.539 5.041 613 HA2 GLY 102 HA2 GLY 102 -8.650 -13.962 6.873 614 HA3 GLY 102 HA3 GLY 102 -7.544 -15.170 7.502 615 H GLU 103 H GLU 103 -5.580 -12.505 6.911 616 HA GLU 103 HA GLU 103 -5.394 -11.841 9.746 617 HB2 GLU 103 HB2 GLU 103 -4.030 -10.783 7.248 618 HB3 GLU 103 HB3 GLU 103 -3.737 -10.100 8.845 619 HG2 GLU 103 HG2 GLU 103 -3.122 -12.431 9.643 620 HG3 GLU 103 HG3 GLU 103 -3.152 -12.940 7.951 621 H SER 104 H SER 104 -5.404 -9.696 10.624 622 HA SER 104 HA SER 104 -6.949 -7.568 9.261 623 HB2 SER 104 HB2 SER 104 -8.303 -7.173 11.358 624 HB3 SER 104 HB3 SER 104 -8.736 -8.566 10.390 625 HG SER 104 HG SER 104 -7.788 -9.922 11.852 626 H LYS 105 H LYS 105 -4.150 -8.269 10.695 627 HA LYS 105 HA LYS 105 -3.586 -5.376 10.776 628 HB2 LYS 105 HB2 LYS 105 -3.809 -5.949 13.148 629 HB3 LYS 105 HB3 LYS 105 -2.666 -7.295 12.956 630 HG2 LYS 105 HG2 LYS 105 -0.840 -5.839 12.684 631 HG3 LYS 105 HG3 LYS 105 -1.841 -4.428 12.391 632 HD2 LYS 105 HD2 LYS 105 -0.932 -4.293 14.636 633 HD3 LYS 105 HD3 LYS 105 -2.677 -4.542 14.753 634 HE2 LYS 105 HE2 LYS 105 -2.357 -6.927 15.166 635 HE3 LYS 105 HE3 LYS 105 -0.604 -6.756 14.910 636 HZ1 LYS 105 HZ1 LYS 105 -1.136 -6.786 17.277 637 HZ2 LYS 105 HZ2 LYS 105 -2.133 -5.481 17.121 638 HZ3 LYS 105 HZ3 LYS 105 -0.508 -5.340 16.858 639 H SER 106 H SER 106 -1.710 -4.970 9.671 640 HA SER 106 HA SER 106 -1.126 -6.911 7.703 641 HB2 SER 106 HB2 SER 106 0.432 -5.373 6.764 642 HB3 SER 106 HB3 SER 106 -0.878 -4.434 7.492 643 HG SER 106 HG SER 106 1.783 -4.828 8.470 644 H SER 107 H SER 107 0.857 -7.847 6.999 645 HA SER 107 HA SER 107 2.955 -8.274 9.113 646 HB2 SER 107 HB2 SER 107 1.649 -10.314 8.892 647 HB3 SER 107 HB3 SER 107 1.843 -10.292 7.133 648 HG SER 107 HG SER 107 3.328 -11.638 8.588 649 H TYR 108 H TYR 108 2.316 -7.166 5.946 650 HA TYR 108 HA TYR 108 5.222 -6.769 5.550 651 HB2 TYR 108 HB2 TYR 108 4.419 -8.697 4.120 652 HB3 TYR 108 HB3 TYR 108 3.417 -7.574 3.240 653 HD1 TYR 108 HD1 TYR 108 6.856 -8.229 4.317 654 HD2 TYR 108 HD2 TYR 108 4.429 -6.402 1.298 655 HE1 TYR 108 HE1 TYR 108 8.871 -8.059 2.811 656 HE2 TYR 108 HE2 TYR 108 6.476 -6.203 -0.185 657 HH TYR 108 HH TYR 108 8.716 -6.632 -0.420 658 H VAL 109 H VAL 109 5.747 -4.825 4.818 659 HA VAL 109 HA VAL 109 3.725 -2.932 3.790 660 HB VAL 109 HB VAL 109 3.463 -2.392 5.908 661 HG11 VAL 109 HG11 VAL 109 4.688 -3.806 7.160 662 HG12 VAL 109 HG12 VAL 109 5.313 -2.237 7.674 663 HG13 VAL 109 HG13 VAL 109 6.212 -3.232 6.492 664 HG21 VAL 109 HG21 VAL 109 4.482 -0.390 6.709 665 HG22 VAL 109 HG22 VAL 109 4.118 -0.260 4.996 666 HG23 VAL 109 HG23 VAL 109 5.790 -0.550 5.533 667 H ILE 110 H ILE 110 4.558 -1.049 2.863 668 HA ILE 110 HA ILE 110 7.393 -1.276 1.933 669 HB ILE 110 HB ILE 110 4.953 -1.003 0.209 670 HG12 ILE 110 HG12 ILE 110 6.331 -3.537 1.058 671 HG13 ILE 110 HG13 ILE 110 4.648 -3.171 1.004 672 HG21 ILE 110 HG21 ILE 110 7.805 -1.731 -0.631 673 HG22 ILE 110 HG22 ILE 110 7.123 -0.101 -0.734 674 HG23 ILE 110 HG23 ILE 110 6.418 -1.386 -1.687 675 HD11 ILE 110 HD11 ILE 110 4.975 -4.727 -0.693 676 HD12 ILE 110 HD12 ILE 110 6.465 -3.938 -1.246 677 HD13 ILE 110 HD13 ILE 110 4.865 -3.188 -1.566 678 H ASN 111 H ASN 111 8.326 0.625 1.485 679 HA ASN 111 HA ASN 111 6.813 3.107 2.168 680 HB2 ASN 111 HB2 ASN 111 9.809 2.532 2.088 681 HB3 ASN 111 HB3 ASN 111 9.029 3.959 2.774 682 HD21 ASN 111 HD21 ASN 111 7.491 3.516 4.658 683 HD22 ASN 111 HD22 ASN 111 7.920 2.194 5.724 684 H GLY 112 H GLY 112 7.306 5.086 0.980 685 HA2 GLY 112 HA2 GLY 112 8.699 4.901 -1.615 686 HA3 GLY 112 HA3 GLY 112 6.942 5.052 -1.683 687 HA PRO 113 HA PRO 113 8.633 9.419 -1.544 688 HB2 PRO 113 HB2 PRO 113 6.932 10.434 -3.415 689 HB3 PRO 113 HB3 PRO 113 8.456 9.608 -3.856 690 HG2 PRO 113 HG2 PRO 113 5.660 8.422 -3.765 691 HG3 PRO 113 HG3 PRO 113 6.856 8.309 -5.090 692 HD2 PRO 113 HD2 PRO 113 6.563 6.328 -3.280 693 HD3 PRO 113 HD3 PRO 113 8.187 6.765 -3.889 694 H GLY 114 H GLY 114 7.825 10.710 -0.107 695 HA2 GLY 114 HA2 GLY 114 5.888 12.035 0.680 696 HA3 GLY 114 HA3 GLY 114 5.046 10.501 0.905 697 H LYS 115 H LYS 115 5.554 12.348 2.971 698 HA LYS 115 HA LYS 115 7.449 10.818 4.750 699 HB2 LYS 115 HB2 LYS 115 8.330 12.939 3.553 700 HB3 LYS 115 HB3 LYS 115 7.319 13.840 4.693 701 HG2 LYS 115 HG2 LYS 115 8.598 12.772 6.591 702 HG3 LYS 115 HG3 LYS 115 9.544 11.869 5.407 703 HD2 LYS 115 HD2 LYS 115 10.882 13.725 6.100 704 HD3 LYS 115 HD3 LYS 115 10.341 14.058 4.451 705 HE2 LYS 115 HE2 LYS 115 8.447 15.448 5.497 706 HE3 LYS 115 HE3 LYS 115 9.265 15.245 7.052 707 HZ1 LYS 115 HZ1 LYS 115 10.336 16.557 4.628 708 HZ2 LYS 115 HZ2 LYS 115 11.253 16.292 5.965 709 HZ3 LYS 115 HZ3 LYS 115 9.953 17.308 6.026 710 H THR 116 H THR 116 4.302 12.054 4.496 711 HA THR 116 HA THR 116 3.642 11.054 7.081 712 HB THR 116 HB THR 116 4.455 13.210 7.912 713 HG1 THR 116 HG1 THR 116 2.480 12.262 8.716 714 HG21 THR 116 HG21 THR 116 2.413 14.554 6.090 715 HG22 THR 116 HG22 THR 116 4.180 14.604 5.872 716 HG23 THR 116 HG23 THR 116 3.444 15.326 7.310 717 H ASN 117 H ASN 117 1.359 10.767 7.304 718 HA ASN 117 HA ASN 117 -0.216 11.034 4.852 719 HB2 ASN 117 HB2 ASN 117 -0.906 10.149 7.688 720 HB3 ASN 117 HB3 ASN 117 -2.000 10.087 6.299 721 HD21 ASN 117 HD21 ASN 117 -0.908 8.987 4.262 722 HD22 ASN 117 HD22 ASN 117 0.056 7.560 4.638 723 H GLU 118 H GLU 118 0.374 13.035 7.679 724 HA GLU 118 HA GLU 118 -2.096 14.558 7.503 725 HB2 GLU 118 HB2 GLU 118 0.399 15.011 9.181 726 HB3 GLU 118 HB3 GLU 118 -1.146 15.860 9.338 727 HG2 GLU 118 HG2 GLU 118 -2.261 13.682 9.837 728 HG3 GLU 118 HG3 GLU 118 -0.681 12.894 9.797 729 H TYR 119 H TYR 119 -1.756 15.121 5.187 730 HA TYR 119 HA TYR 119 -1.267 16.624 3.522 731 HB2 TYR 119 HB2 TYR 119 -2.171 18.292 5.865 732 HB3 TYR 119 HB3 TYR 119 -1.943 18.983 4.267 733 HD1 TYR 119 HD1 TYR 119 -3.979 16.537 6.191 734 HD2 TYR 119 HD2 TYR 119 -3.425 18.577 2.433 735 HE1 TYR 119 HE1 TYR 119 -6.215 15.742 5.430 736 HE2 TYR 119 HE2 TYR 119 -5.666 17.810 1.685 737 HH TYR 119 HH TYR 119 -7.802 15.825 3.762 738 H ALA 120 H ALA 120 1.073 15.798 3.997 739 HA ALA 120 HA ALA 120 3.306 16.125 4.174 740 HB1 ALA 120 HB1 ALA 120 2.673 16.586 1.860 741 HB2 ALA 120 HB2 ALA 120 4.127 17.478 2.334 742 HB3 ALA 120 HB3 ALA 120 2.568 18.323 2.222 743 H TYR 121 H TYR 121 2.369 17.215 6.520 744 HA TYR 121 HA TYR 121 4.794 18.777 7.060 745 HB2 TYR 121 HB2 TYR 121 3.030 20.500 6.777 746 HB3 TYR 121 HB3 TYR 121 2.114 19.771 8.088 747 HD1 TYR 121 HD1 TYR 121 5.316 21.461 7.194 748 HD2 TYR 121 HD2 TYR 121 2.731 20.197 10.404 749 HE1 TYR 121 HE1 TYR 121 6.670 22.787 8.810 750 HE2 TYR 121 HE2 TYR 121 4.081 21.523 12.018 751 HH TYR 121 HH TYR 121 5.843 22.922 12.306 752 H1 ACE 6 H1 ACE 6 18.848 -6.460 -9.445 753 H2 ACE 6 H2 ACE 6 17.475 -6.792 -10.532 754 H3 ACE 6 H3 ACE 6 18.187 -5.169 -10.475 755 H THR 7 H THR 7 18.319 -4.353 -8.042 756 HA THR 7 HA THR 7 15.588 -3.960 -7.235 757 HB THR 7 HB THR 7 15.962 -6.155 -6.145 758 HG1 THR 7 HG1 THR 7 15.013 -5.577 -4.351 759 HG21 THR 7 HG21 THR 7 17.349 -6.377 -4.169 760 HG22 THR 7 HG22 THR 7 18.373 -5.962 -5.554 761 HG23 THR 7 HG23 THR 7 17.960 -4.723 -4.347 762 H THR 8 H THR 8 15.365 -2.171 -5.817 763 HA THR 8 HA THR 8 17.620 -0.828 -4.649 764 HB THR 8 HB THR 8 18.178 -0.296 -6.924 765 HG1 THR 8 HG1 THR 8 17.477 2.177 -6.445 766 HG21 THR 8 HG21 THR 8 16.852 1.135 -8.345 767 HG22 THR 8 HG22 THR 8 15.531 1.183 -7.157 768 HG23 THR 8 HG23 THR 8 15.944 -0.335 -7.988 769 HA PRO 9 HA PRO 9 14.048 2.156 -4.087 770 HB2 PRO 9 HB2 PRO 9 11.508 1.791 -4.917 771 HB3 PRO 9 HB3 PRO 9 12.828 1.820 -6.140 772 HG2 PRO 9 HG2 PRO 9 11.670 -0.659 -4.862 773 HG3 PRO 9 HG3 PRO 9 11.756 -0.228 -6.601 774 HD2 PRO 9 HD2 PRO 9 13.713 -1.657 -5.334 775 HD3 PRO 9 HD3 PRO 9 14.058 -0.550 -6.697 776 H ASP 10 H ASP 10 14.269 -0.537 -2.809 777 HA ASP 10 HA ASP 10 13.866 -1.684 -0.934 778 HB2 ASP 10 HB2 ASP 10 12.269 0.636 0.185 779 HB3 ASP 10 HB3 ASP 10 13.053 -0.691 1.042 780 HN2 TYS 11 HN2 TYS 11 12.803 -3.352 -1.616 781 HA TYS 11 HA TYS 11 10.173 -3.139 -2.913 782 HB2 TYS 11 HB2 TYS 11 12.598 -4.810 -3.237 783 HB3 TYS 11 HB3 TYS 11 11.144 -5.789 -3.209 784 HD1 TYS 11 HD1 TYS 11 9.122 -4.954 -4.487 785 HD2 TYS 11 HD2 TYS 11 13.104 -3.663 -5.316 786 HE1 TYS 11 HE1 TYS 11 8.318 -3.860 -6.414 787 HE2 TYS 11 HE2 TYS 11 12.317 -2.530 -7.339 788 H GLY 12 H GLY 12 10.297 -2.878 -0.382 789 HA2 GLY 12 HA2 GLY 12 8.482 -3.012 1.088 790 HA3 GLY 12 HA3 GLY 12 8.087 -4.603 0.456 791 H HIS 13 H HIS 13 8.030 -4.311 3.265 792 HA HIS 13 HA HIS 13 10.192 -6.144 4.047 793 HB2 HIS 13 HB2 HIS 13 10.754 -4.865 6.014 794 HB3 HIS 13 HB3 HIS 13 11.214 -4.003 4.546 795 HD1 HIS 13 HD1 HIS 13 9.828 -1.733 3.951 796 HD2 HIS 13 HD2 HIS 13 8.616 -3.758 7.451 797 HE1 HIS 13 HE1 HIS 13 7.905 -0.353 5.022 798 HE2 HIS 13 HE2 HIS 13 7.667 -1.319 7.439 799 HN2 TYS 14 HN2 TYS 14 9.810 -7.417 5.798 800 HA TYS 14 HA TYS 14 7.014 -7.548 6.740 801 HB2 TYS 14 HB2 TYS 14 9.424 -9.378 7.093 802 HB3 TYS 14 HB3 TYS 14 7.931 -9.631 7.949 803 HD1 TYS 14 HD1 TYS 14 9.370 -9.554 4.426 804 HD2 TYS 14 HD2 TYS 14 5.920 -10.526 6.869 805 HE1 TYS 14 HE1 TYS 14 8.553 -11.008 2.719 806 HE2 TYS 14 HE2 TYS 14 5.141 -12.012 5.119 807 H ASP 15 H ASP 15 6.358 -6.315 8.301 808 HA ASP 15 HA ASP 15 8.378 -5.140 10.108 809 HB2 ASP 15 HB2 ASP 15 7.014 -3.366 10.374 810 HB3 ASP 15 HB3 ASP 15 6.596 -3.863 8.761 811 H ASP 16 H ASP 16 8.030 -4.723 12.326 812 HA ASP 16 HA ASP 16 6.081 -6.419 13.804 813 HB2 ASP 16 HB2 ASP 16 9.040 -6.067 14.371 814 HB3 ASP 16 HB3 ASP 16 7.909 -6.767 15.529 815 H LYS 17 H LYS 17 5.897 -3.618 13.035 816 HA LYS 17 HA LYS 17 5.286 -2.281 15.504 817 HB2 LYS 17 HB2 LYS 17 7.016 -0.520 15.524 818 HB3 LYS 17 HB3 LYS 17 7.699 -2.109 15.819 819 HG2 LYS 17 HG2 LYS 17 8.262 -2.133 13.265 820 HG3 LYS 17 HG3 LYS 17 7.923 -0.399 13.315 821 HD2 LYS 17 HD2 LYS 17 9.690 -0.078 14.994 822 HD3 LYS 17 HD3 LYS 17 9.924 -1.830 15.094 823 HE2 LYS 17 HE2 LYS 17 10.345 -1.710 12.516 824 HE3 LYS 17 HE3 LYS 17 10.561 0.026 12.773 825 HZ1 LYS 17 HZ1 LYS 17 12.667 -1.169 12.913 826 HZ2 LYS 17 HZ2 LYS 17 12.312 -0.527 14.378 827 HZ3 LYS 17 HZ3 LYS 17 12.091 -2.149 14.095 828 H ASP 18 H ASP 18 6.117 -1.862 12.085 829 HA ASP 18 HA ASP 18 5.010 0.782 11.781 830 HB2 ASP 18 HB2 ASP 18 5.490 -1.423 9.758 831 HB3 ASP 18 HB3 ASP 18 5.069 0.236 9.358 832 H THR 19 H THR 19 3.625 -2.426 11.664 833 HA THR 19 HA THR 19 1.788 -2.467 9.847 834 HB THR 19 HB THR 19 2.063 -4.435 11.210 835 HG1 THR 19 HG1 THR 19 0.380 -4.408 10.122 836 HG21 THR 19 HG21 THR 19 0.706 -3.024 13.489 837 HG22 THR 19 HG22 THR 19 2.431 -3.484 13.407 838 HG23 THR 19 HG23 THR 19 1.201 -4.742 13.387 839 H LEU 20 H LEU 20 -0.349 -2.168 9.339 840 HA LEU 20 HA LEU 20 -1.891 -0.156 10.878 841 HB2 LEU 20 HB2 LEU 20 -1.620 0.461 8.507 842 HB3 LEU 20 HB3 LEU 20 -2.134 -1.165 8.016 843 HG LEU 20 HG LEU 20 -4.377 -0.712 9.037 844 HD11 LEU 20 HD11 LEU 20 -3.251 2.111 9.364 845 HD12 LEU 20 HD12 LEU 20 -3.847 1.052 10.664 846 HD13 LEU 20 HD13 LEU 20 -4.971 1.692 9.463 847 HD21 LEU 20 HD21 LEU 20 -3.889 -0.446 6.708 848 HD22 LEU 20 HD22 LEU 20 -3.416 1.248 6.923 849 HD23 LEU 20 HD23 LEU 20 -5.104 0.727 7.201 850 H ASP 21 H ASP 21 -3.337 -0.962 12.120 851 HA ASP 21 HA ASP 21 -4.488 -3.619 12.001 852 HB2 ASP 21 HB2 ASP 21 -5.776 -2.710 13.969 853 HB3 ASP 21 HB3 ASP 21 -4.035 -2.758 14.154 854 H LEU 22 H LEU 22 -6.027 -4.104 10.730 855 HA LEU 22 HA LEU 22 -8.168 -2.257 9.801 856 HB2 LEU 22 HB2 LEU 22 -6.872 -4.795 8.856 857 HB3 LEU 22 HB3 LEU 22 -8.600 -4.665 8.559 858 HG LEU 22 HG LEU 22 -8.301 -2.630 7.276 859 HD11 LEU 22 HD11 LEU 22 -5.350 -2.951 7.971 860 HD12 LEU 22 HD12 LEU 22 -6.396 -1.561 8.317 861 HD13 LEU 22 HD13 LEU 22 -5.976 -1.936 6.640 862 HD21 LEU 22 HD21 LEU 22 -7.051 -3.640 5.419 863 HD22 LEU 22 HD22 LEU 22 -8.031 -4.874 6.256 864 HD23 LEU 22 HD23 LEU 22 -6.281 -4.788 6.540 865 H ASN 23 H ASN 23 -8.025 -3.001 12.619 866 HA ASN 23 HA ASN 23 -10.769 -3.834 12.905 867 HB2 ASN 23 HB2 ASN 23 -10.455 -5.619 14.416 868 HB3 ASN 23 HB3 ASN 23 -9.570 -6.037 12.957 869 HD21 ASN 23 HD21 ASN 23 -7.126 -5.797 13.063 870 HD22 ASN 23 HD22 ASN 23 -6.398 -6.037 14.644 871 H THR 24 H THR 24 -11.677 -2.751 14.481 872 HA THR 24 HA THR 24 -10.236 -1.407 16.656 873 HB THR 24 HB THR 24 -9.519 -0.069 14.852 874 HG1 THR 24 HG1 THR 24 -9.891 1.679 15.794 875 HG21 THR 24 HG21 THR 24 -11.003 1.129 13.327 876 HG22 THR 24 HG22 THR 24 -11.160 -0.614 13.118 877 HG23 THR 24 HG23 THR 24 -12.418 0.291 14.000 878 HA PRO 25 HA PRO 25 -14.775 -0.117 17.083 879 HB2 PRO 25 HB2 PRO 25 -16.841 -1.475 15.997 880 HB3 PRO 25 HB3 PRO 25 -15.800 -0.397 15.021 881 HG2 PRO 25 HG2 PRO 25 -15.593 -3.416 15.297 882 HG3 PRO 25 HG3 PRO 25 -15.577 -2.438 13.797 883 HD2 PRO 25 HD2 PRO 25 -13.324 -3.315 15.056 884 HD3 PRO 25 HD3 PRO 25 -13.387 -1.798 14.096 885 H VAL 26 H VAL 26 -14.012 -0.789 19.114 886 HA VAL 26 HA VAL 26 -15.848 -2.546 20.575 887 HB VAL 26 HB VAL 26 -14.237 -4.195 19.904 888 HG11 VAL 26 HG11 VAL 26 -12.021 -2.399 20.958 889 HG12 VAL 26 HG12 VAL 26 -12.310 -2.849 19.260 890 HG13 VAL 26 HG13 VAL 26 -11.836 -4.081 20.426 891 HG21 VAL 26 HG21 VAL 26 -13.413 -5.065 21.967 892 HG22 VAL 26 HG22 VAL 26 -14.959 -4.281 22.302 893 HG23 VAL 26 HG23 VAL 26 -13.433 -3.471 22.736 894 H ASP 27 H ASP 27 -15.938 -2.014 22.791 895 HA ASP 27 HA ASP 27 -14.232 0.295 23.698 896 HB2 ASP 27 HB2 ASP 27 -17.180 -0.264 24.100 897 HB3 ASP 27 HB3 ASP 27 -16.267 0.739 25.216 898 H LYS 28 H LYS 28 -15.274 -2.935 24.396 899 HA LYS 28 HA LYS 28 -13.178 -3.155 26.447 900 HB2 LYS 28 HB2 LYS 28 -15.285 -2.611 27.721 901 HB3 LYS 28 HB3 LYS 28 -16.040 -4.017 27.004 902 HG2 LYS 28 HG2 LYS 28 -15.456 -4.711 29.130 903 HG3 LYS 28 HG3 LYS 28 -14.213 -5.441 28.118 904 HD2 LYS 28 HD2 LYS 28 -12.592 -3.719 28.820 905 HD3 LYS 28 HD3 LYS 28 -13.878 -2.828 29.670 906 HE2 LYS 28 HE2 LYS 28 -14.276 -4.876 31.093 907 HE3 LYS 28 HE3 LYS 28 -12.860 -5.625 30.345 908 HZ1 LYS 28 HZ1 LYS 28 -12.302 -4.561 32.454 909 HZ2 LYS 28 HZ2 LYS 28 -12.794 -3.086 31.916 910 HZ3 LYS 28 HZ3 LYS 28 -11.506 -3.829 31.237 911 HN1 NH2 29 HN1 NH2 29 -12.565 -6.082 24.585 912 HN2 NH2 29 HN2 NH2 29 -11.956 -4.561 25.214 Start of MODEL 11 1 H1 ASN 31 H1 ASN 31 11.686 17.177 -13.682 2 H2 ASN 31 H2 ASN 31 11.986 18.790 -13.512 3 H3 ASN 31 H3 ASN 31 10.524 18.176 -13.099 4 HA ASN 31 HA ASN 31 13.079 17.557 -11.801 5 HB2 ASN 31 HB2 ASN 31 10.752 19.155 -10.623 6 HB3 ASN 31 HB3 ASN 31 12.253 18.720 -9.831 7 HD21 ASN 31 HD21 ASN 31 12.405 21.071 -9.420 8 HD22 ASN 31 HD22 ASN 31 13.125 22.068 -10.700 9 H SER 32 H SER 32 9.560 17.385 -10.980 10 HA SER 32 HA SER 32 9.521 14.525 -10.619 11 HB2 SER 32 HB2 SER 32 10.956 15.331 -8.660 12 HB3 SER 32 HB3 SER 32 9.527 16.181 -8.068 13 HG SER 32 HG SER 32 9.910 14.084 -7.189 14 H GLY 33 H GLY 33 7.426 13.943 -9.304 15 HA2 GLY 33 HA2 GLY 33 5.212 15.869 -9.492 16 HA3 GLY 33 HA3 GLY 33 5.246 14.643 -10.763 17 H LEU 34 H LEU 34 3.152 14.074 -9.887 18 HA LEU 34 HA LEU 34 3.273 12.149 -7.605 19 HB2 LEU 34 HB2 LEU 34 1.016 14.077 -8.311 20 HB3 LEU 34 HB3 LEU 34 0.925 12.832 -7.078 21 HG LEU 34 HG LEU 34 2.753 15.259 -6.997 22 HD11 LEU 34 HD11 LEU 34 1.252 15.989 -5.168 23 HD12 LEU 34 HD12 LEU 34 0.210 14.575 -5.459 24 HD13 LEU 34 HD13 LEU 34 0.383 15.819 -6.702 25 HD21 LEU 34 HD21 LEU 34 3.764 13.406 -5.757 26 HD22 LEU 34 HD22 LEU 34 2.223 13.077 -4.937 27 HD23 LEU 34 HD23 LEU 34 3.121 14.584 -4.618 28 HA PRO 35 HA PRO 35 0.991 9.608 -10.594 29 HB2 PRO 35 HB2 PRO 35 -0.041 7.681 -9.045 30 HB3 PRO 35 HB3 PRO 35 1.722 7.806 -9.257 31 HG2 PRO 35 HG2 PRO 35 0.092 8.939 -6.949 32 HG3 PRO 35 HG3 PRO 35 1.539 7.885 -6.864 33 HD2 PRO 35 HD2 PRO 35 1.705 10.624 -6.693 34 HD3 PRO 35 HD3 PRO 35 2.969 9.652 -7.498 35 H THR 36 H THR 36 -1.283 9.004 -10.976 36 HA THR 36 HA THR 36 -3.355 10.421 -9.430 37 HB THR 36 HB THR 36 -2.307 12.102 -10.859 38 HG1 THR 36 HG1 THR 36 -4.535 12.184 -10.278 39 HG21 THR 36 HG21 THR 36 -2.669 12.139 -13.281 40 HG22 THR 36 HG22 THR 36 -3.481 10.564 -13.215 41 HG23 THR 36 HG23 THR 36 -1.750 10.705 -12.826 42 H THR 37 H THR 37 -2.608 7.595 -11.020 43 HA THR 37 HA THR 37 -5.491 7.016 -10.799 44 HB THR 37 HB THR 37 -5.551 5.516 -12.676 45 HG1 THR 37 HG1 THR 37 -3.143 6.669 -13.606 46 HG21 THR 37 HG21 THR 37 -5.741 7.094 -14.488 47 HG22 THR 37 HG22 THR 37 -4.769 8.293 -13.612 48 HG23 THR 37 HG23 THR 37 -6.366 7.819 -12.991 49 H LEU 38 H LEU 38 -5.807 5.444 -9.406 50 HA LEU 38 HA LEU 38 -3.833 4.123 -8.021 51 HB2 LEU 38 HB2 LEU 38 -6.473 4.359 -7.782 52 HB3 LEU 38 HB3 LEU 38 -6.444 2.719 -8.422 53 HG LEU 38 HG LEU 38 -5.272 3.775 -5.851 54 HD11 LEU 38 HD11 LEU 38 -7.422 1.707 -6.447 55 HD12 LEU 38 HD12 LEU 38 -7.673 3.355 -5.826 56 HD13 LEU 38 HD13 LEU 38 -6.845 2.153 -4.827 57 HD21 LEU 38 HD21 LEU 38 -4.667 1.402 -5.296 58 HD22 LEU 38 HD22 LEU 38 -3.672 2.091 -6.573 59 HD23 LEU 38 HD23 LEU 38 -4.990 0.965 -6.988 60 H GLY 39 H GLY 39 -5.414 2.861 -10.977 61 HA2 GLY 39 HA2 GLY 39 -4.454 0.248 -11.054 62 HA3 GLY 39 HA3 GLY 39 -4.708 1.248 -12.482 63 H LYS 40 H LYS 40 -2.531 3.157 -11.926 64 HA LYS 40 HA LYS 40 -0.271 1.703 -13.083 65 HB2 LYS 40 HB2 LYS 40 -0.661 4.516 -11.968 66 HB3 LYS 40 HB3 LYS 40 0.868 3.979 -12.635 67 HG2 LYS 40 HG2 LYS 40 -1.707 3.935 -14.268 68 HG3 LYS 40 HG3 LYS 40 -0.649 5.340 -14.141 69 HD2 LYS 40 HD2 LYS 40 1.260 3.908 -14.958 70 HD3 LYS 40 HD3 LYS 40 0.084 2.630 -15.320 71 HE2 LYS 40 HE2 LYS 40 -1.062 4.049 -16.932 72 HE3 LYS 40 HE3 LYS 40 -0.175 5.478 -16.374 73 HZ1 LYS 40 HZ1 LYS 40 1.869 4.456 -17.181 74 HZ2 LYS 40 HZ2 LYS 40 1.054 3.189 -17.820 75 HZ3 LYS 40 HZ3 LYS 40 0.844 4.742 -18.394 76 H LEU 41 H LEU 41 -1.197 2.687 -9.860 77 HA LEU 41 HA LEU 41 1.426 2.112 -8.651 78 HB2 LEU 41 HB2 LEU 41 0.042 4.035 -8.038 79 HB3 LEU 41 HB3 LEU 41 -1.263 2.993 -7.498 80 HG LEU 41 HG LEU 41 1.453 2.565 -6.261 81 HD11 LEU 41 HD11 LEU 41 -0.388 4.931 -5.669 82 HD12 LEU 41 HD12 LEU 41 1.292 4.995 -6.264 83 HD13 LEU 41 HD13 LEU 41 0.944 4.410 -4.630 84 HD21 LEU 41 HD21 LEU 41 -0.506 1.194 -5.536 85 HD22 LEU 41 HD22 LEU 41 -1.371 2.682 -5.099 86 HD23 LEU 41 HD23 LEU 41 0.104 2.215 -4.224 87 H ASP 42 H ASP 42 -1.882 0.726 -8.589 88 HA ASP 42 HA ASP 42 -1.435 -1.546 -6.955 89 HB2 ASP 42 HB2 ASP 42 -3.670 -0.955 -7.552 90 HB3 ASP 42 HB3 ASP 42 -3.292 -0.896 -9.271 91 H GLU 43 H GLU 43 -0.821 -1.208 -10.470 92 HA GLU 43 HA GLU 43 -0.094 -3.952 -10.805 93 HB2 GLU 43 HB2 GLU 43 -0.702 -2.220 -12.609 94 HB3 GLU 43 HB3 GLU 43 0.934 -1.597 -12.440 95 HG2 GLU 43 HG2 GLU 43 0.776 -3.125 -14.332 96 HG3 GLU 43 HG3 GLU 43 1.809 -3.817 -13.087 97 H ARG 44 H ARG 44 1.758 -1.128 -9.712 98 HA ARG 44 HA ARG 44 4.304 -2.586 -9.725 99 HB2 ARG 44 HB2 ARG 44 4.000 -0.036 -9.943 100 HB3 ARG 44 HB3 ARG 44 3.753 -0.014 -8.191 101 HG2 ARG 44 HG2 ARG 44 5.985 -0.904 -7.805 102 HG3 ARG 44 HG3 ARG 44 6.152 -1.372 -9.496 103 HD2 ARG 44 HD2 ARG 44 7.506 0.543 -9.243 104 HD3 ARG 44 HD3 ARG 44 6.103 1.021 -10.172 105 HE ARG 44 HE ARG 44 5.336 2.365 -8.406 106 HH11 ARG 44 HH11 ARG 44 8.242 0.673 -7.222 107 HH12 ARG 44 HH12 ARG 44 8.586 2.021 -6.154 108 HH21 ARG 44 HH21 ARG 44 5.888 3.873 -6.851 109 HH22 ARG 44 HH22 ARG 44 7.402 3.634 -5.939 110 H LEU 45 H LEU 45 1.814 -1.787 -7.248 111 HA LEU 45 HA LEU 45 3.175 -3.067 -5.059 112 HB2 LEU 45 HB2 LEU 45 0.221 -2.605 -5.557 113 HB3 LEU 45 HB3 LEU 45 0.902 -3.246 -4.069 114 HG LEU 45 HG LEU 45 1.318 -0.457 -5.201 115 HD11 LEU 45 HD11 LEU 45 -0.792 -0.846 -4.041 116 HD12 LEU 45 HD12 LEU 45 0.277 0.166 -3.053 117 HD13 LEU 45 HD13 LEU 45 0.061 -1.551 -2.654 118 HD21 LEU 45 HD21 LEU 45 2.584 -0.036 -3.043 119 HD22 LEU 45 HD22 LEU 45 3.448 -0.951 -4.265 120 HD23 LEU 45 HD23 LEU 45 2.744 -1.784 -2.864 121 H ARG 46 H ARG 46 0.968 -4.464 -7.492 122 HA ARG 46 HA ARG 46 0.981 -7.173 -6.451 123 HB2 ARG 46 HB2 ARG 46 0.535 -5.998 -9.236 124 HB3 ARG 46 HB3 ARG 46 0.433 -7.729 -8.902 125 HG2 ARG 46 HG2 ARG 46 -1.336 -7.365 -7.248 126 HG3 ARG 46 HG3 ARG 46 -1.241 -5.619 -7.493 127 HD2 ARG 46 HD2 ARG 46 -1.796 -6.136 -9.972 128 HD3 ARG 46 HD3 ARG 46 -2.273 -7.744 -9.404 129 HE ARG 46 HE ARG 46 -3.473 -5.093 -8.700 130 HH11 ARG 46 HH11 ARG 46 -4.091 -8.599 -8.647 131 HH12 ARG 46 HH12 ARG 46 -5.646 -8.302 -7.879 132 HH21 ARG 46 HH21 ARG 46 -5.127 -4.945 -7.489 133 HH22 ARG 46 HH22 ARG 46 -6.087 -6.352 -6.986 134 H ASN 47 H ASN 47 3.369 -5.294 -8.125 135 HA ASN 47 HA ASN 47 5.122 -7.681 -8.455 136 HB2 ASN 47 HB2 ASN 47 5.281 -4.828 -9.435 137 HB3 ASN 47 HB3 ASN 47 6.688 -5.868 -9.386 138 HD21 ASN 47 HD21 ASN 47 3.603 -5.302 -11.011 139 HD22 ASN 47 HD22 ASN 47 3.860 -6.535 -12.238 140 H TYR 48 H TYR 48 4.962 -4.890 -6.188 141 HA TYR 48 HA TYR 48 7.462 -5.234 -5.054 142 HB2 TYR 48 HB2 TYR 48 4.837 -4.285 -3.955 143 HB3 TYR 48 HB3 TYR 48 6.077 -4.649 -2.841 144 HD1 TYR 48 HD1 TYR 48 5.131 -2.344 -5.583 145 HD2 TYR 48 HD2 TYR 48 7.874 -3.187 -2.405 146 HE1 TYR 48 HE1 TYR 48 5.849 0.033 -5.591 147 HE2 TYR 48 HE2 TYR 48 8.629 -0.819 -2.443 148 HH TYR 48 HH TYR 48 8.490 1.197 -3.514 149 H LEU 49 H LEU 49 4.566 -7.113 -4.099 150 HA LEU 49 HA LEU 49 5.968 -8.541 -2.053 151 HB2 LEU 49 HB2 LEU 49 3.584 -9.349 -3.755 152 HB3 LEU 49 HB3 LEU 49 4.151 -10.275 -2.357 153 HG LEU 49 HG LEU 49 3.272 -7.396 -2.200 154 HD11 LEU 49 HD11 LEU 49 1.753 -9.993 -1.726 155 HD12 LEU 49 HD12 LEU 49 1.375 -8.732 -2.919 156 HD13 LEU 49 HD13 LEU 49 1.172 -8.410 -1.188 157 HD21 LEU 49 HD21 LEU 49 4.700 -8.106 -0.312 158 HD22 LEU 49 HD22 LEU 49 3.589 -9.459 0.001 159 HD23 LEU 49 HD23 LEU 49 3.041 -7.787 0.195 160 H LYS 50 H LYS 50 5.620 -9.379 -5.542 161 HA LYS 50 HA LYS 50 7.090 -11.862 -5.309 162 HB2 LYS 50 HB2 LYS 50 6.968 -10.087 -7.763 163 HB3 LYS 50 HB3 LYS 50 7.293 -11.825 -7.649 164 HG2 LYS 50 HG2 LYS 50 4.966 -12.248 -6.969 165 HG3 LYS 50 HG3 LYS 50 4.598 -10.519 -7.063 166 HD2 LYS 50 HD2 LYS 50 5.561 -12.227 -9.399 167 HD3 LYS 50 HD3 LYS 50 3.872 -11.800 -9.088 168 HE2 LYS 50 HE2 LYS 50 4.382 -9.411 -9.362 169 HE3 LYS 50 HE3 LYS 50 6.101 -9.764 -9.573 170 HZ1 LYS 50 HZ1 LYS 50 5.060 -9.445 -11.695 171 HZ2 LYS 50 HZ2 LYS 50 3.929 -10.574 -11.417 172 HZ3 LYS 50 HZ3 LYS 50 5.516 -11.019 -11.595 173 H LYS 51 H LYS 51 8.078 -8.543 -6.050 174 HA LYS 51 HA LYS 51 10.891 -8.933 -6.505 175 HB2 LYS 51 HB2 LYS 51 9.191 -6.639 -5.552 176 HB3 LYS 51 HB3 LYS 51 10.926 -6.489 -5.745 177 HG2 LYS 51 HG2 LYS 51 9.258 -7.463 -8.080 178 HG3 LYS 51 HG3 LYS 51 9.279 -5.760 -7.646 179 HD2 LYS 51 HD2 LYS 51 11.843 -5.859 -7.724 180 HD3 LYS 51 HD3 LYS 51 11.652 -7.464 -8.485 181 HE2 LYS 51 HE2 LYS 51 10.105 -6.352 -10.166 182 HE3 LYS 51 HE3 LYS 51 10.515 -4.795 -9.437 183 HZ1 LYS 51 HZ1 LYS 51 11.898 -5.183 -11.355 184 HZ2 LYS 51 HZ2 LYS 51 12.868 -5.258 -10.043 185 HZ3 LYS 51 HZ3 LYS 51 12.415 -6.639 -10.789 186 H GLY 52 H GLY 52 9.043 -8.564 -3.490 187 HA2 GLY 52 HA2 GLY 52 11.589 -8.140 -2.013 188 HA3 GLY 52 HA3 GLY 52 10.011 -7.493 -1.671 189 H THR 53 H THR 53 8.602 -10.196 -1.794 190 HA THR 53 HA THR 53 9.278 -11.040 0.951 191 HB THR 53 HB THR 53 7.301 -12.353 0.889 192 HG1 THR 53 HG1 THR 53 6.921 -11.503 -1.829 193 HG21 THR 53 HG21 THR 53 5.510 -10.701 0.272 194 HG22 THR 53 HG22 THR 53 6.809 -9.573 -0.165 195 HG23 THR 53 HG23 THR 53 6.689 -10.230 1.487 196 H LYS 54 H LYS 54 9.159 -13.510 1.357 197 HA LYS 54 HA LYS 54 10.906 -14.962 -0.530 198 HB2 LYS 54 HB2 LYS 54 9.610 -15.990 2.024 199 HB3 LYS 54 HB3 LYS 54 10.882 -16.751 1.094 200 HG2 LYS 54 HG2 LYS 54 11.113 -14.158 2.671 201 HG3 LYS 54 HG3 LYS 54 11.794 -15.735 3.083 202 HD2 LYS 54 HD2 LYS 54 13.115 -15.623 0.920 203 HD3 LYS 54 HD3 LYS 54 12.585 -13.935 0.764 204 HE2 LYS 54 HE2 LYS 54 13.725 -13.271 2.759 205 HE3 LYS 54 HE3 LYS 54 13.929 -14.948 3.287 206 HZ1 LYS 54 HZ1 LYS 54 15.402 -15.319 1.417 207 HZ2 LYS 54 HZ2 LYS 54 15.311 -13.739 0.955 208 HZ3 LYS 54 HZ3 LYS 54 15.998 -14.150 2.392 209 H ASN 55 H ASN 55 7.495 -14.862 0.338 210 HA ASN 55 HA ASN 55 6.837 -16.095 -2.240 211 HB2 ASN 55 HB2 ASN 55 6.823 -18.062 -0.760 212 HB3 ASN 55 HB3 ASN 55 5.941 -17.165 0.480 213 HD21 ASN 55 HD21 ASN 55 4.062 -18.408 0.591 214 HD22 ASN 55 HD22 ASN 55 3.035 -18.702 -0.808 215 H SER 56 H SER 56 5.569 -14.691 -3.177 216 HA SER 56 HA SER 56 3.890 -12.789 -1.763 217 HB2 SER 56 HB2 SER 56 5.131 -12.182 -3.710 218 HB3 SER 56 HB3 SER 56 4.422 -13.459 -4.676 219 HG SER 56 HG SER 56 2.656 -12.360 -4.950 220 H ALA 57 H ALA 57 3.252 -16.026 -2.974 221 HA ALA 57 HA ALA 57 0.579 -15.613 -3.834 222 HB1 ALA 57 HB1 ALA 57 0.480 -18.089 -3.881 223 HB2 ALA 57 HB2 ALA 57 2.019 -18.157 -3.007 224 HB3 ALA 57 HB3 ALA 57 1.944 -17.448 -4.637 225 H GLN 58 H GLN 58 1.564 -15.551 -0.582 226 HA GLN 58 HA GLN 58 -0.808 -16.866 0.514 227 HB2 GLN 58 HB2 GLN 58 0.255 -16.411 2.648 228 HB3 GLN 58 HB3 GLN 58 1.394 -17.162 1.527 229 HG2 GLN 58 HG2 GLN 58 2.338 -14.849 1.029 230 HG3 GLN 58 HG3 GLN 58 1.286 -14.195 2.283 231 HE21 GLN 58 HE21 GLN 58 4.363 -14.988 1.656 232 HE22 GLN 58 HE22 GLN 58 4.819 -15.519 3.273 233 H PHE 59 H PHE 59 -0.066 -13.647 -0.570 234 HA PHE 59 HA PHE 59 -1.635 -12.309 1.510 235 HB2 PHE 59 HB2 PHE 59 -0.196 -11.252 -0.916 236 HB3 PHE 59 HB3 PHE 59 -1.021 -10.261 0.284 237 HD1 PHE 59 HD1 PHE 59 -0.189 -10.177 2.670 238 HD2 PHE 59 HD2 PHE 59 2.006 -12.226 -0.407 239 HE1 PHE 59 HE1 PHE 59 1.817 -10.206 4.121 240 HE2 PHE 59 HE2 PHE 59 3.995 -12.313 1.066 241 HZ PHE 59 HZ PHE 59 3.920 -11.259 3.309 242 H GLU 60 H GLU 60 -3.570 -11.156 1.270 243 HA GLU 60 HA GLU 60 -5.279 -12.171 -0.978 244 HB2 GLU 60 HB2 GLU 60 -7.110 -12.296 0.430 245 HB3 GLU 60 HB3 GLU 60 -5.780 -13.130 1.236 246 HG2 GLU 60 HG2 GLU 60 -5.500 -11.210 2.731 247 HG3 GLU 60 HG3 GLU 60 -6.736 -10.300 1.870 248 H LYS 61 H LYS 61 -4.319 -9.368 0.817 249 HA LYS 61 HA LYS 61 -5.472 -7.518 -1.111 250 HB2 LYS 61 HB2 LYS 61 -7.039 -6.428 0.319 251 HB3 LYS 61 HB3 LYS 61 -7.383 -8.139 0.424 252 HG2 LYS 61 HG2 LYS 61 -5.877 -8.132 2.550 253 HG3 LYS 61 HG3 LYS 61 -6.002 -6.372 2.493 254 HD2 LYS 61 HD2 LYS 61 -8.426 -6.478 2.722 255 HD3 LYS 61 HD3 LYS 61 -8.378 -8.218 2.423 256 HE2 LYS 61 HE2 LYS 61 -6.647 -7.992 4.553 257 HE3 LYS 61 HE3 LYS 61 -7.797 -6.693 4.913 258 HZ1 LYS 61 HZ1 LYS 61 -8.490 -9.544 4.433 259 HZ2 LYS 61 HZ2 LYS 61 -9.575 -8.382 4.894 260 HZ3 LYS 61 HZ3 LYS 61 -8.388 -8.871 5.906 261 H MET 62 H MET 62 -5.324 -5.308 -0.186 262 HA MET 62 HA MET 62 -2.903 -4.685 1.335 263 HB2 MET 62 HB2 MET 62 -1.672 -3.639 -0.458 264 HB3 MET 62 HB3 MET 62 -2.016 -5.316 -0.887 265 HG2 MET 62 HG2 MET 62 -3.880 -4.576 -2.336 266 HG3 MET 62 HG3 MET 62 -3.524 -2.891 -1.927 267 HE1 MET 62 HE1 MET 62 -2.360 -3.036 -5.621 268 HE2 MET 62 HE2 MET 62 -3.269 -2.112 -4.398 269 HE3 MET 62 HE3 MET 62 -3.793 -3.752 -4.869 270 H VAL 63 H VAL 63 -2.527 -2.404 1.616 271 HA VAL 63 HA VAL 63 -4.684 -0.528 0.866 272 HB VAL 63 HB VAL 63 -5.360 -1.706 2.996 273 HG11 VAL 63 HG11 VAL 63 -4.184 -1.440 4.979 274 HG12 VAL 63 HG12 VAL 63 -3.079 -0.225 4.273 275 HG13 VAL 63 HG13 VAL 63 -2.986 -1.918 3.784 276 HG21 VAL 63 HG21 VAL 63 -4.824 1.264 3.390 277 HG22 VAL 63 HG22 VAL 63 -5.954 0.248 4.307 278 HG23 VAL 63 HG23 VAL 63 -6.249 0.548 2.600 279 H ILE 64 H ILE 64 -4.088 1.634 1.063 280 HA ILE 64 HA ILE 64 -1.133 2.164 1.129 281 HB ILE 64 HB ILE 64 -3.263 3.118 -0.814 282 HG12 ILE 64 HG12 ILE 64 -0.984 1.524 -1.880 283 HG13 ILE 64 HG13 ILE 64 -2.147 0.584 -0.972 284 HG21 ILE 64 HG21 ILE 64 -0.258 3.604 -0.788 285 HG22 ILE 64 HG22 ILE 64 -1.542 4.814 -0.592 286 HG23 ILE 64 HG23 ILE 64 -1.330 4.012 -2.146 287 HD11 ILE 64 HD11 ILE 64 -3.990 1.330 -2.365 288 HD12 ILE 64 HD12 ILE 64 -2.707 0.623 -3.359 289 HD13 ILE 64 HD13 ILE 64 -2.901 2.390 -3.292 290 H LEU 65 H LEU 65 -0.524 4.006 2.117 291 HA LEU 65 HA LEU 65 -2.553 6.081 2.877 292 HB2 LEU 65 HB2 LEU 65 -0.038 5.146 4.334 293 HB3 LEU 65 HB3 LEU 65 -0.950 6.582 4.764 294 HG LEU 65 HG LEU 65 -1.899 3.682 4.907 295 HD11 LEU 65 HD11 LEU 65 -1.904 3.973 7.296 296 HD12 LEU 65 HD12 LEU 65 -1.551 5.710 7.154 297 HD13 LEU 65 HD13 LEU 65 -0.323 4.514 6.714 298 HD21 LEU 65 HD21 LEU 65 -3.859 5.002 4.361 299 HD22 LEU 65 HD22 LEU 65 -3.431 6.222 5.586 300 HD23 LEU 65 HD23 LEU 65 -3.900 4.584 6.081 301 H THR 66 H THR 66 -2.172 8.044 2.010 302 HA THR 66 HA THR 66 0.474 8.467 0.659 303 HB THR 66 HB THR 66 -0.607 9.628 -1.106 304 HG1 THR 66 HG1 THR 66 -2.217 10.703 -0.192 305 HG21 THR 66 HG21 THR 66 -0.657 7.149 -1.294 306 HG22 THR 66 HG22 THR 66 -1.969 7.954 -2.172 307 HG23 THR 66 HG23 THR 66 -2.309 7.162 -0.619 308 H GLU 67 H GLU 67 1.125 10.644 0.231 309 HA GLU 67 HA GLU 67 0.682 12.616 2.260 310 HB2 GLU 67 HB2 GLU 67 1.481 13.198 -0.589 311 HB3 GLU 67 HB3 GLU 67 1.877 14.079 0.899 312 HG2 GLU 67 HG2 GLU 67 3.100 11.854 1.608 313 HG3 GLU 67 HG3 GLU 67 2.984 11.437 -0.086 314 H ASN 68 H ASN 68 -0.440 14.741 1.851 315 HA ASN 68 HA ASN 68 -2.384 15.831 1.826 316 HB2 ASN 68 HB2 ASN 68 -2.861 14.548 -0.870 317 HB3 ASN 68 HB3 ASN 68 -3.702 15.956 -0.245 318 HD21 ASN 68 HD21 ASN 68 -1.391 15.183 -2.397 319 HD22 ASN 68 HD22 ASN 68 -0.349 16.609 -2.219 320 H LYS 69 H LYS 69 -2.252 13.365 3.129 321 HA LYS 69 HA LYS 69 -3.471 11.944 4.392 322 HB2 LYS 69 HB2 LYS 69 -5.526 14.166 4.137 323 HB3 LYS 69 HB3 LYS 69 -5.385 12.995 5.457 324 HG2 LYS 69 HG2 LYS 69 -3.068 13.859 5.921 325 HG3 LYS 69 HG3 LYS 69 -3.333 15.138 4.733 326 HD2 LYS 69 HD2 LYS 69 -5.022 14.721 7.225 327 HD3 LYS 69 HD3 LYS 69 -3.657 15.841 7.082 328 HE2 LYS 69 HE2 LYS 69 -4.793 17.080 5.292 329 HE3 LYS 69 HE3 LYS 69 -6.170 15.964 5.371 330 HZ1 LYS 69 HZ1 LYS 69 -5.270 17.757 7.562 331 HZ2 LYS 69 HZ2 LYS 69 -6.493 16.674 7.703 332 HZ3 LYS 69 HZ3 LYS 69 -6.637 17.939 6.667 333 H GLY 70 H GLY 70 -3.759 11.240 1.574 334 HA2 GLY 70 HA2 GLY 70 -6.450 10.130 1.307 335 HA3 GLY 70 HA3 GLY 70 -5.072 9.811 0.263 336 H TYR 71 H TYR 71 -7.004 7.995 1.181 337 HA TYR 71 HA TYR 71 -5.296 5.825 2.249 338 HB2 TYR 71 HB2 TYR 71 -6.450 6.521 4.238 339 HB3 TYR 71 HB3 TYR 71 -7.968 6.708 3.384 340 HD1 TYR 71 HD1 TYR 71 -9.172 4.627 2.486 341 HD2 TYR 71 HD2 TYR 71 -6.020 4.438 5.439 342 HE1 TYR 71 HE1 TYR 71 -9.993 2.402 3.243 343 HE2 TYR 71 HE2 TYR 71 -6.888 2.271 6.216 344 HH TYR 71 HH TYR 71 -8.643 0.818 6.123 345 H TYR 72 H TYR 72 -5.604 3.984 1.049 346 HA TYR 72 HA TYR 72 -8.054 3.655 -0.619 347 HB2 TYR 72 HB2 TYR 72 -5.235 3.485 -1.756 348 HB3 TYR 72 HB3 TYR 72 -6.733 3.216 -2.621 349 HD1 TYR 72 HD1 TYR 72 -8.189 5.105 -3.266 350 HD2 TYR 72 HD2 TYR 72 -4.444 5.745 -1.220 351 HE1 TYR 72 HE1 TYR 72 -8.303 7.522 -3.817 352 HE2 TYR 72 HE2 TYR 72 -4.577 8.181 -1.748 353 HH TYR 72 HH TYR 72 -7.363 9.559 -3.524 354 H THR 73 H THR 73 -8.571 1.471 -1.033 355 HA THR 73 HA THR 73 -6.826 -0.625 0.180 356 HB THR 73 HB THR 73 -8.476 0.234 1.821 357 HG1 THR 73 HG1 THR 73 -9.163 -1.741 2.455 358 HG21 THR 73 HG21 THR 73 -10.400 0.690 0.273 359 HG22 THR 73 HG22 THR 73 -10.817 -0.294 1.683 360 HG23 THR 73 HG23 THR 73 -10.619 -1.068 0.102 361 H VAL 74 H VAL 74 -6.731 -2.517 -0.976 362 HA VAL 74 HA VAL 74 -8.604 -2.965 -3.244 363 HB VAL 74 HB VAL 74 -5.584 -2.763 -3.603 364 HG11 VAL 74 HG11 VAL 74 -7.847 -3.213 -5.604 365 HG12 VAL 74 HG12 VAL 74 -6.556 -4.363 -5.166 366 HG13 VAL 74 HG13 VAL 74 -6.155 -2.897 -6.037 367 HG21 VAL 74 HG21 VAL 74 -7.735 -0.823 -4.539 368 HG22 VAL 74 HG22 VAL 74 -6.040 -0.809 -5.076 369 HG23 VAL 74 HG23 VAL 74 -6.421 -0.483 -3.388 370 H TYR 75 H TYR 75 -8.790 -5.155 -3.809 371 HA TYR 75 HA TYR 75 -7.379 -7.079 -2.052 372 HB2 TYR 75 HB2 TYR 75 -9.901 -7.160 -3.650 373 HB3 TYR 75 HB3 TYR 75 -9.023 -8.658 -3.407 374 HD1 TYR 75 HD1 TYR 75 -10.512 -5.770 -1.506 375 HD2 TYR 75 HD2 TYR 75 -9.069 -9.833 -1.344 376 HE1 TYR 75 HE1 TYR 75 -11.496 -6.039 0.761 377 HE2 TYR 75 HE2 TYR 75 -10.053 -10.100 0.891 378 HH TYR 75 HH TYR 75 -11.261 -9.136 2.558 379 H LEU 76 H LEU 76 -6.280 -8.803 -2.725 380 HA LEU 76 HA LEU 76 -4.956 -8.719 -5.406 381 HB2 LEU 76 HB2 LEU 76 -4.032 -9.801 -2.711 382 HB3 LEU 76 HB3 LEU 76 -3.133 -9.959 -4.207 383 HG LEU 76 HG LEU 76 -3.863 -7.255 -2.982 384 HD11 LEU 76 HD11 LEU 76 -1.520 -7.171 -2.261 385 HD12 LEU 76 HD12 LEU 76 -1.276 -8.844 -2.809 386 HD13 LEU 76 HD13 LEU 76 -2.390 -8.493 -1.465 387 HD21 LEU 76 HD21 LEU 76 -3.391 -7.124 -5.388 388 HD22 LEU 76 HD22 LEU 76 -1.919 -8.104 -5.168 389 HD23 LEU 76 HD23 LEU 76 -2.023 -6.468 -4.489 390 H ASN 77 H ASN 77 -6.930 -10.668 -3.266 391 HA ASN 77 HA ASN 77 -6.818 -13.178 -4.619 392 HB2 ASN 77 HB2 ASN 77 -9.026 -11.659 -3.168 393 HB3 ASN 77 HB3 ASN 77 -9.313 -13.230 -3.893 394 HD21 ASN 77 HD21 ASN 77 -9.790 -12.935 -1.278 395 HD22 ASN 77 HD22 ASN 77 -8.596 -13.879 -0.379 396 H THR 78 H THR 78 -7.819 -10.138 -5.903 397 HA THR 78 HA THR 78 -9.187 -11.400 -8.199 398 HB THR 78 HB THR 78 -10.932 -9.641 -8.061 399 HG1 THR 78 HG1 THR 78 -11.135 -8.707 -5.880 400 HG21 THR 78 HG21 THR 78 -10.836 -11.241 -5.462 401 HG22 THR 78 HG22 THR 78 -11.270 -11.938 -7.040 402 HG23 THR 78 HG23 THR 78 -12.267 -10.665 -6.335 403 HA PRO 79 HA PRO 79 -7.069 -7.975 -10.410 404 HB2 PRO 79 HB2 PRO 79 -9.304 -8.360 -12.373 405 HB3 PRO 79 HB3 PRO 79 -7.540 -8.338 -12.665 406 HG2 PRO 79 HG2 PRO 79 -8.934 -10.672 -12.752 407 HG3 PRO 79 HG3 PRO 79 -7.309 -10.600 -11.985 408 HD2 PRO 79 HD2 PRO 79 -9.999 -10.494 -10.609 409 HD3 PRO 79 HD3 PRO 79 -8.561 -11.499 -10.237 410 H LEU 80 H LEU 80 -7.524 -5.777 -10.065 411 HA LEU 80 HA LEU 80 -10.098 -5.031 -8.968 412 HB2 LEU 80 HB2 LEU 80 -9.248 -2.964 -8.480 413 HB3 LEU 80 HB3 LEU 80 -7.890 -4.047 -8.251 414 HG LEU 80 HG LEU 80 -8.342 -2.197 -10.640 415 HD11 LEU 80 HD11 LEU 80 -7.808 -1.000 -8.556 416 HD12 LEU 80 HD12 LEU 80 -6.476 -0.904 -9.717 417 HD13 LEU 80 HD13 LEU 80 -6.370 -2.017 -8.338 418 HD21 LEU 80 HD21 LEU 80 -5.934 -2.730 -11.160 419 HD22 LEU 80 HD22 LEU 80 -7.019 -4.110 -11.383 420 HD23 LEU 80 HD23 LEU 80 -5.992 -4.002 -9.933 421 H ALA 81 H ALA 81 -11.701 -3.740 -9.801 422 HA ALA 81 HA ALA 81 -12.279 -4.059 -12.556 423 HB1 ALA 81 HB1 ALA 81 -13.627 -2.288 -10.473 424 HB2 ALA 81 HB2 ALA 81 -13.937 -4.025 -10.716 425 HB3 ALA 81 HB3 ALA 81 -14.344 -2.870 -11.993 426 H GLU 82 H GLU 82 -12.901 -2.424 -14.136 427 HA GLU 82 HA GLU 82 -10.734 -0.777 -14.727 428 HB2 GLU 82 HB2 GLU 82 -11.958 -0.005 -16.656 429 HB3 GLU 82 HB3 GLU 82 -12.082 -1.747 -16.442 430 HG2 GLU 82 HG2 GLU 82 -14.374 -1.547 -15.616 431 HG3 GLU 82 HG3 GLU 82 -14.264 0.215 -15.627 432 H ASP 83 H ASP 83 -13.686 0.397 -13.029 433 HA ASP 83 HA ASP 83 -12.900 3.211 -13.305 434 HB2 ASP 83 HB2 ASP 83 -14.613 1.778 -11.241 435 HB3 ASP 83 HB3 ASP 83 -14.334 3.513 -11.246 436 H ARG 84 H ARG 84 -12.133 0.590 -11.076 437 HA ARG 84 HA ARG 84 -10.744 2.219 -9.083 438 HB2 ARG 84 HB2 ARG 84 -10.670 -0.807 -9.530 439 HB3 ARG 84 HB3 ARG 84 -10.095 0.067 -8.113 440 HG2 ARG 84 HG2 ARG 84 -12.386 0.864 -7.638 441 HG3 ARG 84 HG3 ARG 84 -12.994 0.010 -9.065 442 HD2 ARG 84 HD2 ARG 84 -12.301 -2.151 -8.088 443 HD3 ARG 84 HD3 ARG 84 -11.726 -1.311 -6.632 444 HE ARG 84 HE ARG 84 -14.395 -0.472 -7.072 445 HH11 ARG 84 HH11 ARG 84 -12.968 -3.642 -6.259 446 HH12 ARG 84 HH12 ARG 84 -14.537 -4.130 -5.597 447 HH21 ARG 84 HH21 ARG 84 -16.157 -1.243 -6.261 448 HH22 ARG 84 HH22 ARG 84 -16.204 -2.885 -5.590 449 H LYS 85 H LYS 85 -9.808 0.499 -12.027 450 HA LYS 85 HA LYS 85 -6.957 0.937 -11.763 451 HB2 LYS 85 HB2 LYS 85 -8.781 0.592 -14.177 452 HB3 LYS 85 HB3 LYS 85 -7.035 0.836 -14.325 453 HG2 LYS 85 HG2 LYS 85 -6.621 -1.126 -12.882 454 HG3 LYS 85 HG3 LYS 85 -8.366 -1.425 -12.784 455 HD2 LYS 85 HD2 LYS 85 -8.518 -1.826 -15.161 456 HD3 LYS 85 HD3 LYS 85 -6.822 -1.375 -15.420 457 HE2 LYS 85 HE2 LYS 85 -7.616 -3.589 -13.490 458 HE3 LYS 85 HE3 LYS 85 -7.470 -3.906 -15.220 459 HZ1 LYS 85 HZ1 LYS 85 -5.417 -4.349 -13.942 460 HZ2 LYS 85 HZ2 LYS 85 -5.209 -2.742 -13.665 461 HZ3 LYS 85 HZ3 LYS 85 -5.214 -3.309 -15.201 462 H ASN 86 H ASN 86 -9.537 3.172 -12.383 463 HA ASN 86 HA ASN 86 -7.627 5.200 -13.471 464 HB2 ASN 86 HB2 ASN 86 -10.521 4.506 -14.092 465 HB3 ASN 86 HB3 ASN 86 -9.790 6.025 -14.583 466 HD21 ASN 86 HD21 ASN 86 -10.172 2.736 -15.472 467 HD22 ASN 86 HD22 ASN 86 -9.048 2.777 -16.817 468 H VAL 87 H VAL 87 -9.106 4.620 -10.564 469 HA VAL 87 HA VAL 87 -10.282 7.207 -10.068 470 HB VAL 87 HB VAL 87 -10.885 5.036 -8.983 471 HG11 VAL 87 HG11 VAL 87 -9.754 4.293 -6.987 472 HG12 VAL 87 HG12 VAL 87 -8.494 5.531 -7.189 473 HG13 VAL 87 HG13 VAL 87 -8.668 4.215 -8.378 474 HG21 VAL 87 HG21 VAL 87 -11.502 6.048 -6.858 475 HG22 VAL 87 HG22 VAL 87 -11.679 7.242 -8.149 476 HG23 VAL 87 HG23 VAL 87 -10.276 7.315 -7.051 477 H GLU 88 H GLU 88 -9.531 8.956 -8.941 478 HA GLU 88 HA GLU 88 -6.846 9.710 -9.334 479 HB2 GLU 88 HB2 GLU 88 -9.028 10.828 -7.542 480 HB3 GLU 88 HB3 GLU 88 -7.464 11.620 -7.769 481 HG2 GLU 88 HG2 GLU 88 -7.928 11.742 -10.231 482 HG3 GLU 88 HG3 GLU 88 -9.567 11.154 -9.904 483 H LEU 89 H LEU 89 -5.201 10.285 -7.955 484 HA LEU 89 HA LEU 89 -5.044 8.965 -5.263 485 HB2 LEU 89 HB2 LEU 89 -2.922 9.383 -7.404 486 HB3 LEU 89 HB3 LEU 89 -2.542 8.913 -5.758 487 HG LEU 89 HG LEU 89 -4.353 7.279 -7.586 488 HD11 LEU 89 HD11 LEU 89 -2.154 7.402 -8.560 489 HD12 LEU 89 HD12 LEU 89 -2.380 5.798 -7.867 490 HD13 LEU 89 HD13 LEU 89 -1.388 6.983 -7.000 491 HD21 LEU 89 HD21 LEU 89 -2.900 6.663 -4.951 492 HD22 LEU 89 HD22 LEU 89 -3.740 5.458 -5.938 493 HD23 LEU 89 HD23 LEU 89 -4.665 6.759 -5.182 494 H LEU 90 H LEU 90 -5.050 10.433 -3.690 495 HA LEU 90 HA LEU 90 -4.856 13.215 -4.062 496 HB2 LEU 90 HB2 LEU 90 -4.837 11.367 -1.670 497 HB3 LEU 90 HB3 LEU 90 -4.596 13.086 -1.422 498 HG LEU 90 HG LEU 90 -6.995 12.055 -2.979 499 HD11 LEU 90 HD11 LEU 90 -8.284 12.329 -0.877 500 HD12 LEU 90 HD12 LEU 90 -6.766 12.604 0.011 501 HD13 LEU 90 HD13 LEU 90 -7.092 11.034 -0.770 502 HD21 LEU 90 HD21 LEU 90 -6.464 14.651 -1.462 503 HD22 LEU 90 HD22 LEU 90 -7.964 14.224 -2.312 504 HD23 LEU 90 HD23 LEU 90 -6.479 14.469 -3.233 505 H GLY 91 H GLY 91 -2.183 11.011 -3.364 506 HA2 GLY 91 HA2 GLY 91 -0.209 13.062 -3.834 507 HA3 GLY 91 HA3 GLY 91 -0.357 12.710 -2.115 508 H LYS 92 H LYS 92 1.999 12.191 -2.626 509 HA LYS 92 HA LYS 92 2.732 9.865 -4.121 510 HB2 LYS 92 HB2 LYS 92 4.060 12.061 -3.232 511 HB3 LYS 92 HB3 LYS 92 4.453 10.963 -1.920 512 HG2 LYS 92 HG2 LYS 92 6.224 10.681 -3.359 513 HG3 LYS 92 HG3 LYS 92 5.185 9.320 -3.805 514 HD2 LYS 92 HD2 LYS 92 4.369 10.637 -5.771 515 HD3 LYS 92 HD3 LYS 92 5.515 11.930 -5.323 516 HE2 LYS 92 HE2 LYS 92 7.392 10.304 -5.460 517 HE3 LYS 92 HE3 LYS 92 6.255 9.031 -5.920 518 HZ1 LYS 92 HZ1 LYS 92 6.916 11.436 -7.540 519 HZ2 LYS 92 HZ2 LYS 92 5.749 10.353 -7.941 520 HZ3 LYS 92 HZ3 LYS 92 7.295 9.869 -7.851 521 H MET 93 H MET 93 3.569 7.888 -3.384 522 HA MET 93 HA MET 93 1.854 6.598 -1.469 523 HB2 MET 93 HB2 MET 93 2.620 5.746 -3.709 524 HB3 MET 93 HB3 MET 93 4.206 5.427 -3.003 525 HG2 MET 93 HG2 MET 93 3.007 3.950 -1.279 526 HG3 MET 93 HG3 MET 93 1.528 4.235 -2.192 527 HE1 MET 93 HE1 MET 93 5.047 1.486 -3.369 528 HE2 MET 93 HE2 MET 93 4.713 2.147 -1.757 529 HE3 MET 93 HE3 MET 93 5.349 3.205 -3.040 530 H TYR 94 H TYR 94 2.812 8.027 0.365 531 HA TYR 94 HA TYR 94 5.242 7.635 1.620 532 HB2 TYR 94 HB2 TYR 94 4.071 9.263 2.655 533 HB3 TYR 94 HB3 TYR 94 2.543 8.504 2.394 534 HD1 TYR 94 HD1 TYR 94 5.405 8.770 4.738 535 HD2 TYR 94 HD2 TYR 94 1.521 7.044 4.056 536 HE1 TYR 94 HE1 TYR 94 5.161 8.350 7.177 537 HE2 TYR 94 HE2 TYR 94 1.285 6.602 6.505 538 HH TYR 94 HH TYR 94 3.758 7.642 8.858 539 H LYS 95 H LYS 95 2.377 5.488 2.382 540 HA LYS 95 HA LYS 95 4.319 3.337 2.968 541 HB2 LYS 95 HB2 LYS 95 4.118 4.774 5.035 542 HB3 LYS 95 HB3 LYS 95 2.426 4.302 5.161 543 HG2 LYS 95 HG2 LYS 95 2.952 2.152 5.868 544 HG3 LYS 95 HG3 LYS 95 4.448 2.095 4.948 545 HD2 LYS 95 HD2 LYS 95 4.928 2.049 7.304 546 HD3 LYS 95 HD3 LYS 95 5.612 3.486 6.556 547 HE2 LYS 95 HE2 LYS 95 3.851 4.886 7.509 548 HE3 LYS 95 HE3 LYS 95 3.017 3.459 8.137 549 HZ1 LYS 95 HZ1 LYS 95 4.309 4.477 9.881 550 HZ2 LYS 95 HZ2 LYS 95 5.693 4.388 8.996 551 HZ3 LYS 95 HZ3 LYS 95 4.973 3.012 9.538 552 H THR 96 H THR 96 3.426 1.241 3.204 553 HA THR 96 HA THR 96 0.608 0.877 2.257 554 HB THR 96 HB THR 96 2.835 -0.820 1.131 555 HG1 THR 96 HG1 THR 96 1.935 1.574 0.001 556 HG21 THR 96 HG21 THR 96 1.348 -1.000 -0.801 557 HG22 THR 96 HG22 THR 96 0.186 0.114 -0.052 558 HG23 THR 96 HG23 THR 96 0.483 -1.486 0.657 559 H TYR 97 H TYR 97 -0.306 -1.120 2.778 560 HA TYR 97 HA TYR 97 1.260 -2.943 4.543 561 HB2 TYR 97 HB2 TYR 97 -1.572 -2.198 5.334 562 HB3 TYR 97 HB3 TYR 97 -0.370 -3.056 6.203 563 HD1 TYR 97 HD1 TYR 97 -0.930 0.369 4.735 564 HD2 TYR 97 HD2 TYR 97 0.737 -1.984 7.940 565 HE1 TYR 97 HE1 TYR 97 -0.206 2.428 5.884 566 HE2 TYR 97 HE2 TYR 97 1.430 0.087 9.097 567 HH TYR 97 HH TYR 97 1.428 2.426 9.066 568 H PHE 98 H PHE 98 0.630 -5.040 4.599 569 HA PHE 98 HA PHE 98 -1.368 -6.022 2.598 570 HB2 PHE 98 HB2 PHE 98 1.570 -6.730 2.880 571 HB3 PHE 98 HB3 PHE 98 0.450 -7.635 1.890 572 HD1 PHE 98 HD1 PHE 98 2.241 -4.386 2.236 573 HD2 PHE 98 HD2 PHE 98 -0.203 -6.889 -0.276 574 HE1 PHE 98 HE1 PHE 98 2.759 -2.938 0.267 575 HE2 PHE 98 HE2 PHE 98 0.408 -5.511 -2.250 576 HZ PHE 98 HZ PHE 98 1.876 -3.548 -1.975 577 H PHE 99 H PHE 99 -2.103 -8.109 2.890 578 HA PHE 99 HA PHE 99 -1.841 -9.232 5.658 579 HB2 PHE 99 HB2 PHE 99 -4.451 -8.720 4.162 580 HB3 PHE 99 HB3 PHE 99 -4.239 -9.097 5.853 581 HD1 PHE 99 HD1 PHE 99 -3.723 -6.403 3.297 582 HD2 PHE 99 HD2 PHE 99 -4.065 -7.346 7.469 583 HE1 PHE 99 HE1 PHE 99 -3.592 -4.006 3.833 584 HE2 PHE 99 HE2 PHE 99 -4.041 -4.919 8.001 585 HZ PHE 99 HZ PHE 99 -3.656 -3.248 6.232 586 H LYS 100 H LYS 100 -2.006 -11.451 5.794 587 HA LYS 100 HA LYS 100 -1.960 -13.008 3.310 588 HB2 LYS 100 HB2 LYS 100 -1.905 -13.910 6.184 589 HB3 LYS 100 HB3 LYS 100 -1.666 -14.956 4.765 590 HG2 LYS 100 HG2 LYS 100 0.424 -14.361 4.401 591 HG3 LYS 100 HG3 LYS 100 0.195 -12.658 4.754 592 HD2 LYS 100 HD2 LYS 100 0.165 -13.184 7.192 593 HD3 LYS 100 HD3 LYS 100 0.331 -14.910 6.811 594 HE2 LYS 100 HE2 LYS 100 2.527 -14.344 5.663 595 HE3 LYS 100 HE3 LYS 100 2.379 -12.710 6.335 596 HZ1 LYS 100 HZ1 LYS 100 2.425 -15.225 7.913 597 HZ2 LYS 100 HZ2 LYS 100 2.339 -13.709 8.550 598 HZ3 LYS 100 HZ3 LYS 100 3.703 -14.206 7.751 599 H LYS 101 H LYS 101 -3.176 -14.973 3.048 600 HA LYS 101 HA LYS 101 -5.965 -14.684 2.852 601 HB2 LYS 101 HB2 LYS 101 -5.963 -17.025 2.099 602 HB3 LYS 101 HB3 LYS 101 -4.825 -15.945 1.298 603 HG2 LYS 101 HG2 LYS 101 -2.954 -16.929 2.649 604 HG3 LYS 101 HG3 LYS 101 -4.095 -18.037 3.395 605 HD2 LYS 101 HD2 LYS 101 -2.792 -19.054 1.559 606 HD3 LYS 101 HD3 LYS 101 -4.537 -19.131 1.292 607 HE2 LYS 101 HE2 LYS 101 -4.474 -17.363 -0.341 608 HE3 LYS 101 HE3 LYS 101 -2.808 -16.939 0.070 609 HZ1 LYS 101 HZ1 LYS 101 -3.600 -19.538 -1.111 610 HZ2 LYS 101 HZ2 LYS 101 -2.059 -18.999 -0.870 611 HZ3 LYS 101 HZ3 LYS 101 -3.040 -18.279 -1.982 612 H GLY 102 H GLY 102 -6.575 -13.998 4.865 613 HA2 GLY 102 HA2 GLY 102 -8.266 -15.058 6.476 614 HA3 GLY 102 HA3 GLY 102 -6.916 -16.058 7.024 615 H GLU 103 H GLU 103 -6.454 -12.606 6.194 616 HA GLU 103 HA GLU 103 -6.028 -11.971 9.080 617 HB2 GLU 103 HB2 GLU 103 -3.975 -12.814 7.743 618 HB3 GLU 103 HB3 GLU 103 -4.113 -11.293 6.840 619 HG2 GLU 103 HG2 GLU 103 -3.727 -9.991 8.813 620 HG3 GLU 103 HG3 GLU 103 -3.781 -11.433 9.842 621 H SER 104 H SER 104 -6.379 -9.894 9.689 622 HA SER 104 HA SER 104 -6.739 -7.744 7.656 623 HB2 SER 104 HB2 SER 104 -8.815 -8.375 9.740 624 HB3 SER 104 HB3 SER 104 -8.760 -6.906 8.754 625 HG SER 104 HG SER 104 -10.067 -8.830 8.020 626 H LYS 105 H LYS 105 -4.663 -8.481 9.651 627 HA LYS 105 HA LYS 105 -4.142 -5.641 10.106 628 HB2 LYS 105 HB2 LYS 105 -5.041 -6.190 12.279 629 HB3 LYS 105 HB3 LYS 105 -3.935 -7.566 12.426 630 HG2 LYS 105 HG2 LYS 105 -2.046 -6.140 12.533 631 HG3 LYS 105 HG3 LYS 105 -2.954 -4.704 12.115 632 HD2 LYS 105 HD2 LYS 105 -2.483 -4.721 14.524 633 HD3 LYS 105 HD3 LYS 105 -4.225 -4.881 14.255 634 HE2 LYS 105 HE2 LYS 105 -4.081 -7.304 14.531 635 HE3 LYS 105 HE3 LYS 105 -2.316 -7.196 14.718 636 HZ1 LYS 105 HZ1 LYS 105 -3.533 -7.370 16.850 637 HZ2 LYS 105 HZ2 LYS 105 -4.253 -5.893 16.563 638 HZ3 LYS 105 HZ3 LYS 105 -2.634 -5.996 16.760 639 H SER 106 H SER 106 -2.249 -5.270 9.252 640 HA SER 106 HA SER 106 -1.312 -7.101 7.473 641 HB2 SER 106 HB2 SER 106 0.483 -5.582 6.912 642 HB3 SER 106 HB3 SER 106 -0.993 -4.702 7.331 643 HG SER 106 HG SER 106 1.408 -4.991 8.906 644 H SER 107 H SER 107 0.600 -8.089 6.959 645 HA SER 107 HA SER 107 2.508 -8.743 9.191 646 HB2 SER 107 HB2 SER 107 1.037 -10.693 8.436 647 HB3 SER 107 HB3 SER 107 1.757 -10.539 6.833 648 HG SER 107 HG SER 107 3.009 -11.194 9.295 649 H TYR 108 H TYR 108 2.129 -7.288 6.148 650 HA TYR 108 HA TYR 108 5.057 -7.023 5.863 651 HB2 TYR 108 HB2 TYR 108 4.239 -8.869 4.326 652 HB3 TYR 108 HB3 TYR 108 3.305 -7.686 3.469 653 HD1 TYR 108 HD1 TYR 108 6.602 -8.896 4.290 654 HD2 TYR 108 HD2 TYR 108 4.467 -6.109 1.843 655 HE1 TYR 108 HE1 TYR 108 8.610 -8.698 2.804 656 HE2 TYR 108 HE2 TYR 108 6.489 -5.924 0.339 657 HH TYR 108 HH TYR 108 8.656 -6.620 -0.083 658 H VAL 109 H VAL 109 5.642 -5.030 5.382 659 HA VAL 109 HA VAL 109 3.682 -3.087 4.333 660 HB VAL 109 HB VAL 109 4.228 -1.397 5.949 661 HG11 VAL 109 HG11 VAL 109 3.413 -3.897 7.433 662 HG12 VAL 109 HG12 VAL 109 2.345 -2.874 6.437 663 HG13 VAL 109 HG13 VAL 109 3.100 -2.209 7.905 664 HG21 VAL 109 HG21 VAL 109 6.266 -1.586 6.664 665 HG22 VAL 109 HG22 VAL 109 6.134 -3.323 7.125 666 HG23 VAL 109 HG23 VAL 109 5.381 -2.038 8.112 667 H ILE 110 H ILE 110 4.644 -1.079 3.657 668 HA ILE 110 HA ILE 110 7.447 -1.460 2.648 669 HB ILE 110 HB ILE 110 5.005 -0.847 1.005 670 HG12 ILE 110 HG12 ILE 110 6.248 -3.511 1.609 671 HG13 ILE 110 HG13 ILE 110 4.575 -3.055 1.562 672 HG21 ILE 110 HG21 ILE 110 6.365 -1.126 -0.952 673 HG22 ILE 110 HG22 ILE 110 7.766 -1.648 0.000 674 HG23 ILE 110 HG23 ILE 110 7.175 0.028 0.084 675 HD11 ILE 110 HD11 ILE 110 4.914 -4.523 -0.235 676 HD12 ILE 110 HD12 ILE 110 6.404 -3.718 -0.737 677 HD13 ILE 110 HD13 ILE 110 4.822 -2.920 -0.994 678 H ASN 111 H ASN 111 8.603 0.347 2.426 679 HA ASN 111 HA ASN 111 7.322 2.934 3.148 680 HB2 ASN 111 HB2 ASN 111 10.282 2.169 3.119 681 HB3 ASN 111 HB3 ASN 111 9.575 3.657 3.753 682 HD21 ASN 111 HD21 ASN 111 7.693 3.099 5.442 683 HD22 ASN 111 HD22 ASN 111 8.189 1.925 6.668 684 H GLY 112 H GLY 112 6.754 4.140 1.423 685 HA2 GLY 112 HA2 GLY 112 8.254 3.789 -1.159 686 HA3 GLY 112 HA3 GLY 112 6.577 4.278 -0.995 687 HA PRO 113 HA PRO 113 9.068 8.208 -1.206 688 HB2 PRO 113 HB2 PRO 113 8.026 9.255 -3.491 689 HB3 PRO 113 HB3 PRO 113 9.406 8.123 -3.493 690 HG2 PRO 113 HG2 PRO 113 6.488 7.478 -4.003 691 HG3 PRO 113 HG3 PRO 113 7.938 6.957 -4.907 692 HD2 PRO 113 HD2 PRO 113 6.693 5.410 -2.990 693 HD3 PRO 113 HD3 PRO 113 8.451 5.320 -3.314 694 H GLY 114 H GLY 114 8.243 9.428 0.181 695 HA2 GLY 114 HA2 GLY 114 6.366 11.236 0.319 696 HA3 GLY 114 HA3 GLY 114 5.334 9.834 0.628 697 H LYS 115 H LYS 115 6.408 12.195 2.320 698 HA LYS 115 HA LYS 115 8.003 10.694 4.378 699 HB2 LYS 115 HB2 LYS 115 8.983 12.584 3.071 700 HB3 LYS 115 HB3 LYS 115 7.861 13.690 3.887 701 HG2 LYS 115 HG2 LYS 115 8.861 13.169 6.069 702 HG3 LYS 115 HG3 LYS 115 9.835 11.878 5.345 703 HD2 LYS 115 HD2 LYS 115 10.852 13.708 3.844 704 HD3 LYS 115 HD3 LYS 115 10.109 14.887 4.928 705 HE2 LYS 115 HE2 LYS 115 12.081 12.686 5.712 706 HE3 LYS 115 HE3 LYS 115 12.510 14.373 5.417 707 HZ1 LYS 115 HZ1 LYS 115 11.073 14.995 7.285 708 HZ2 LYS 115 HZ2 LYS 115 12.269 13.975 7.762 709 HZ3 LYS 115 HZ3 LYS 115 10.727 13.431 7.611 710 H THR 116 H THR 116 4.991 12.333 4.033 711 HA THR 116 HA THR 116 4.072 11.522 6.632 712 HB THR 116 HB THR 116 5.341 13.560 7.278 713 HG1 THR 116 HG1 THR 116 3.891 14.165 8.567 714 HG21 THR 116 HG21 THR 116 3.397 15.043 5.455 715 HG22 THR 116 HG22 THR 116 5.151 14.928 5.260 716 HG23 THR 116 HG23 THR 116 4.476 15.793 6.652 717 H ASN 117 H ASN 117 1.689 12.335 6.876 718 HA ASN 117 HA ASN 117 0.447 12.030 4.244 719 HB2 ASN 117 HB2 ASN 117 -0.726 12.160 7.045 720 HB3 ASN 117 HB3 ASN 117 -1.617 11.797 5.572 721 HD21 ASN 117 HD21 ASN 117 -0.400 9.952 4.189 722 HD22 ASN 117 HD22 ASN 117 0.291 8.657 5.184 723 H GLU 118 H GLU 118 1.336 14.753 6.173 724 HA GLU 118 HA GLU 118 -0.876 16.334 6.203 725 HB2 GLU 118 HB2 GLU 118 1.975 17.313 5.950 726 HB3 GLU 118 HB3 GLU 118 0.595 18.266 6.510 727 HG2 GLU 118 HG2 GLU 118 0.261 16.609 8.362 728 HG3 GLU 118 HG3 GLU 118 1.736 15.789 7.863 729 H TYR 119 H TYR 119 1.512 17.059 3.689 730 HA TYR 119 HA TYR 119 -0.546 18.064 1.884 731 HB2 TYR 119 HB2 TYR 119 -0.218 19.771 3.790 732 HB3 TYR 119 HB3 TYR 119 1.388 20.050 3.142 733 HD1 TYR 119 HD1 TYR 119 -2.195 19.848 1.970 734 HD2 TYR 119 HD2 TYR 119 1.587 21.898 1.674 735 HE1 TYR 119 HE1 TYR 119 -3.202 21.482 0.392 736 HE2 TYR 119 HE2 TYR 119 0.567 23.561 0.124 737 HH TYR 119 HH TYR 119 -2.897 23.428 -0.787 738 H ALA 120 H ALA 120 1.759 16.322 1.739 739 HA ALA 120 HA ALA 120 3.524 15.717 0.455 740 HB1 ALA 120 HB1 ALA 120 1.616 15.563 -1.115 741 HB2 ALA 120 HB2 ALA 120 3.138 15.883 -1.959 742 HB3 ALA 120 HB3 ALA 120 1.974 17.203 -1.702 743 H TYR 121 H TYR 121 4.151 18.027 1.906 744 HA TYR 121 HA TYR 121 6.062 19.527 0.138 745 HB2 TYR 121 HB2 TYR 121 4.225 20.950 0.719 746 HB3 TYR 121 HB3 TYR 121 4.301 20.471 2.408 747 HD1 TYR 121 HD1 TYR 121 6.704 21.856 -0.174 748 HD2 TYR 121 HD2 TYR 121 5.178 22.058 3.850 749 HE1 TYR 121 HE1 TYR 121 8.281 23.718 0.335 750 HE2 TYR 121 HE2 TYR 121 6.743 23.929 4.358 751 HH TYR 121 HH TYR 121 8.396 25.288 3.562 752 H1 ACE 6 H1 ACE 6 25.675 -1.651 -7.570 753 H2 ACE 6 H2 ACE 6 24.350 -2.690 -8.138 754 H3 ACE 6 H3 ACE 6 24.633 -1.108 -8.904 755 H THR 7 H THR 7 22.145 -1.381 -8.167 756 HA THR 7 HA THR 7 21.666 -0.440 -5.419 757 HB THR 7 HB THR 7 22.279 1.625 -6.578 758 HG1 THR 7 HG1 THR 7 20.833 1.998 -5.084 759 HG21 THR 7 HG21 THR 7 20.883 2.604 -8.327 760 HG22 THR 7 HG22 THR 7 19.915 1.120 -8.433 761 HG23 THR 7 HG23 THR 7 21.629 1.109 -8.903 762 H THR 8 H THR 8 19.487 -0.590 -4.774 763 HA THR 8 HA THR 8 17.480 -1.547 -6.732 764 HB THR 8 HB THR 8 17.902 -2.971 -4.091 765 HG1 THR 8 HG1 THR 8 18.290 -4.494 -6.276 766 HG21 THR 8 HG21 THR 8 15.608 -3.169 -4.910 767 HG22 THR 8 HG22 THR 8 16.199 -3.688 -6.505 768 HG23 THR 8 HG23 THR 8 16.445 -4.709 -5.066 769 HA PRO 9 HA PRO 9 14.955 1.320 -4.256 770 HB2 PRO 9 HB2 PRO 9 12.742 -0.550 -5.079 771 HB3 PRO 9 HB3 PRO 9 12.783 1.239 -5.116 772 HG2 PRO 9 HG2 PRO 9 13.120 -0.198 -7.384 773 HG3 PRO 9 HG3 PRO 9 14.145 1.244 -7.070 774 HD2 PRO 9 HD2 PRO 9 14.810 -1.679 -6.678 775 HD3 PRO 9 HD3 PRO 9 15.811 -0.374 -7.392 776 H ASP 10 H ASP 10 13.292 1.192 -2.475 777 HA ASP 10 HA ASP 10 13.609 -1.082 -0.619 778 HB2 ASP 10 HB2 ASP 10 11.610 1.229 -0.703 779 HB3 ASP 10 HB3 ASP 10 11.738 0.055 0.598 780 HN2 TYS 11 HN2 TYS 11 12.475 -2.964 -0.771 781 HA TYS 11 HA TYS 11 10.041 -3.050 -2.497 782 HB2 TYS 11 HB2 TYS 11 12.629 -4.490 -2.785 783 HB3 TYS 11 HB3 TYS 11 11.269 -5.594 -2.727 784 HD1 TYS 11 HD1 TYS 11 9.076 -4.564 -3.883 785 HD2 TYS 11 HD2 TYS 11 13.128 -3.748 -5.026 786 HE1 TYS 11 HE1 TYS 11 8.273 -3.574 -5.871 787 HE2 TYS 11 HE2 TYS 11 12.331 -3.032 -7.242 788 H GLY 12 H GLY 12 10.142 -2.666 0.065 789 HA2 GLY 12 HA2 GLY 12 8.483 -3.016 1.643 790 HA3 GLY 12 HA3 GLY 12 8.002 -4.474 0.791 791 H HIS 13 H HIS 13 8.015 -4.548 3.587 792 HA HIS 13 HA HIS 13 9.978 -6.692 4.070 793 HB2 HIS 13 HB2 HIS 13 10.722 -5.661 6.184 794 HB3 HIS 13 HB3 HIS 13 11.297 -4.793 4.767 795 HD1 HIS 13 HD1 HIS 13 10.175 -2.367 4.242 796 HD2 HIS 13 HD2 HIS 13 8.653 -4.344 7.647 797 HE1 HIS 13 HE1 HIS 13 8.496 -0.771 5.423 798 HE2 HIS 13 HE2 HIS 13 8.050 -1.850 7.744 799 HN2 TYS 14 HN2 TYS 14 9.542 -7.924 5.943 800 HA TYS 14 HA TYS 14 6.705 -7.958 6.679 801 HB2 TYS 14 HB2 TYS 14 9.058 -9.734 7.402 802 HB3 TYS 14 HB3 TYS 14 7.485 -9.936 8.117 803 HD1 TYS 14 HD1 TYS 14 9.272 -10.020 4.754 804 HD2 TYS 14 HD2 TYS 14 5.563 -10.814 6.834 805 HE1 TYS 14 HE1 TYS 14 8.664 -11.580 3.062 806 HE2 TYS 14 HE2 TYS 14 4.957 -12.411 5.086 807 H ASP 15 H ASP 15 5.711 -7.316 8.409 808 HA ASP 15 HA ASP 15 7.281 -5.550 10.250 809 HB2 ASP 15 HB2 ASP 15 5.924 -3.929 9.792 810 HB3 ASP 15 HB3 ASP 15 5.185 -4.893 8.517 811 H ASP 16 H ASP 16 6.868 -5.441 12.431 812 HA ASP 16 HA ASP 16 4.511 -6.793 13.438 813 HB2 ASP 16 HB2 ASP 16 6.514 -8.453 13.472 814 HB3 ASP 16 HB3 ASP 16 7.194 -7.435 14.742 815 H LYS 17 H LYS 17 4.993 -4.119 13.140 816 HA LYS 17 HA LYS 17 4.720 -3.030 15.831 817 HB2 LYS 17 HB2 LYS 17 6.669 -1.622 15.917 818 HB3 LYS 17 HB3 LYS 17 7.207 -3.289 15.702 819 HG2 LYS 17 HG2 LYS 17 7.453 -2.783 13.210 820 HG3 LYS 17 HG3 LYS 17 7.060 -1.099 13.608 821 HD2 LYS 17 HD2 LYS 17 9.031 -1.019 15.139 822 HD3 LYS 17 HD3 LYS 17 9.439 -2.672 14.656 823 HE2 LYS 17 HE2 LYS 17 10.796 -1.092 13.397 824 HE3 LYS 17 HE3 LYS 17 9.699 -1.944 12.306 825 HZ1 LYS 17 HZ1 LYS 17 9.743 0.458 11.860 826 HZ2 LYS 17 HZ2 LYS 17 9.193 0.780 13.395 827 HZ3 LYS 17 HZ3 LYS 17 8.253 -0.001 12.301 828 H ASP 18 H ASP 18 4.840 -2.459 12.377 829 HA ASP 18 HA ASP 18 3.884 0.350 12.644 830 HB2 ASP 18 HB2 ASP 18 4.775 -1.449 10.357 831 HB3 ASP 18 HB3 ASP 18 3.832 -0.010 10.033 832 H THR 19 H THR 19 2.645 -2.864 12.081 833 HA THR 19 HA THR 19 0.893 -2.752 10.256 834 HB THR 19 HB THR 19 1.099 -4.807 11.472 835 HG1 THR 19 HG1 THR 19 -0.407 -4.785 10.215 836 HG21 THR 19 HG21 THR 19 -0.565 -3.687 13.697 837 HG22 THR 19 HG22 THR 19 1.172 -4.099 13.773 838 HG23 THR 19 HG23 THR 19 0.003 -5.375 13.462 839 H LEU 20 H LEU 20 -1.033 -2.257 9.518 840 HA LEU 20 HA LEU 20 -2.838 -0.416 10.993 841 HB2 LEU 20 HB2 LEU 20 -2.104 0.398 8.768 842 HB3 LEU 20 HB3 LEU 20 -2.426 -1.190 8.075 843 HG LEU 20 HG LEU 20 -4.814 -0.882 8.355 844 HD11 LEU 20 HD11 LEU 20 -4.095 1.884 9.422 845 HD12 LEU 20 HD12 LEU 20 -4.976 0.608 10.287 846 HD13 LEU 20 HD13 LEU 20 -5.720 1.387 8.889 847 HD21 LEU 20 HD21 LEU 20 -3.609 1.575 7.031 848 HD22 LEU 20 HD22 LEU 20 -5.024 0.611 6.520 849 HD23 LEU 20 HD23 LEU 20 -3.384 -0.063 6.421 850 H ASP 21 H ASP 21 -4.845 -1.202 11.467 851 HA ASP 21 HA ASP 21 -5.516 -3.990 10.715 852 HB2 ASP 21 HB2 ASP 21 -6.409 -4.357 12.700 853 HB3 ASP 21 HB3 ASP 21 -5.328 -3.087 13.213 854 H LEU 22 H LEU 22 -7.230 -4.500 9.803 855 HA LEU 22 HA LEU 22 -8.998 -2.515 8.420 856 HB2 LEU 22 HB2 LEU 22 -7.294 -4.848 7.650 857 HB3 LEU 22 HB3 LEU 22 -8.870 -4.838 6.885 858 HG LEU 22 HG LEU 22 -8.444 -2.586 5.965 859 HD11 LEU 22 HD11 LEU 22 -5.720 -2.959 7.280 860 HD12 LEU 22 HD12 LEU 22 -6.892 -1.654 7.568 861 HD13 LEU 22 HD13 LEU 22 -6.088 -1.760 6.008 862 HD21 LEU 22 HD21 LEU 22 -6.623 -3.383 4.398 863 HD22 LEU 22 HD22 LEU 22 -7.929 -4.551 4.643 864 HD23 LEU 22 HD23 LEU 22 -6.376 -4.769 5.485 865 H ASN 23 H ASN 23 -9.291 -4.774 10.774 866 HA ASN 23 HA ASN 23 -10.815 -6.858 9.906 867 HB2 ASN 23 HB2 ASN 23 -11.017 -5.508 12.602 868 HB3 ASN 23 HB3 ASN 23 -11.464 -7.178 12.261 869 HD21 ASN 23 HD21 ASN 23 -8.810 -4.963 12.898 870 HD22 ASN 23 HD22 ASN 23 -7.627 -6.244 13.059 871 H THR 24 H THR 24 -12.307 -3.865 11.201 872 HA THR 24 HA THR 24 -14.519 -3.462 11.725 873 HB THR 24 HB THR 24 -14.072 -2.331 9.706 874 HG1 THR 24 HG1 THR 24 -16.666 -3.412 9.543 875 HG21 THR 24 HG21 THR 24 -13.479 -4.079 8.195 876 HG22 THR 24 HG22 THR 24 -14.868 -3.213 7.504 877 HG23 THR 24 HG23 THR 24 -15.071 -4.816 8.273 878 HA PRO 25 HA PRO 25 -15.876 -7.930 11.294 879 HB2 PRO 25 HB2 PRO 25 -15.693 -8.827 13.864 880 HB3 PRO 25 HB3 PRO 25 -14.288 -8.677 12.769 881 HG2 PRO 25 HG2 PRO 25 -15.149 -6.800 14.974 882 HG3 PRO 25 HG3 PRO 25 -13.492 -7.329 14.506 883 HD2 PRO 25 HD2 PRO 25 -14.661 -4.928 13.719 884 HD3 PRO 25 HD3 PRO 25 -13.314 -5.757 12.898 885 H VAL 26 H VAL 26 -17.777 -9.020 11.937 886 HA VAL 26 HA VAL 26 -19.697 -7.638 13.701 887 HB VAL 26 HB VAL 26 -19.913 -6.709 11.367 888 HG11 VAL 26 HG11 VAL 26 -19.632 -8.819 10.066 889 HG12 VAL 26 HG12 VAL 26 -21.100 -7.921 9.656 890 HG13 VAL 26 HG13 VAL 26 -21.213 -9.369 10.665 891 HG21 VAL 26 HG21 VAL 26 -22.360 -6.721 11.419 892 HG22 VAL 26 HG22 VAL 26 -21.668 -6.494 13.031 893 HG23 VAL 26 HG23 VAL 26 -22.350 -8.067 12.571 894 H ASP 27 H ASP 27 -21.098 -9.007 14.738 895 HA ASP 27 HA ASP 27 -20.495 -11.896 14.424 896 HB2 ASP 27 HB2 ASP 27 -21.891 -10.303 16.602 897 HB3 ASP 27 HB3 ASP 27 -21.690 -12.056 16.629 898 H LYS 28 H LYS 28 -22.803 -9.850 13.219 899 HA LYS 28 HA LYS 28 -24.166 -12.116 12.045 900 HB2 LYS 28 HB2 LYS 28 -26.458 -11.314 12.443 901 HB3 LYS 28 HB3 LYS 28 -25.646 -11.943 13.870 902 HG2 LYS 28 HG2 LYS 28 -25.222 -9.587 14.636 903 HG3 LYS 28 HG3 LYS 28 -26.163 -8.999 13.247 904 HD2 LYS 28 HD2 LYS 28 -28.113 -10.308 13.995 905 HD3 LYS 28 HD3 LYS 28 -27.207 -10.912 15.383 906 HE2 LYS 28 HE2 LYS 28 -28.007 -8.016 14.852 907 HE3 LYS 28 HE3 LYS 28 -28.714 -9.121 16.035 908 HZ1 LYS 28 HZ1 LYS 28 -26.286 -9.232 16.903 909 HZ2 LYS 28 HZ2 LYS 28 -27.268 -7.971 17.308 910 HZ3 LYS 28 HZ3 LYS 28 -26.126 -7.764 16.138 911 HN1 NH2 29 HN1 NH2 29 -23.803 -11.691 9.962 912 HN2 NH2 29 HN2 NH2 29 -23.936 -10.115 9.219 Start of MODEL 12 1 H1 ASN 31 H1 ASN 31 -3.905 13.573 -27.024 2 H2 ASN 31 H2 ASN 31 -5.496 13.630 -27.441 3 H3 ASN 31 H3 ASN 31 -4.421 12.769 -28.345 4 HA ASN 31 HA ASN 31 -5.266 12.174 -25.585 5 HB2 ASN 31 HB2 ASN 31 -5.689 10.576 -28.156 6 HB3 ASN 31 HB3 ASN 31 -6.133 10.046 -26.544 7 HD21 ASN 31 HD21 ASN 31 -7.613 11.108 -29.272 8 HD22 ASN 31 HD22 ASN 31 -8.947 11.961 -28.522 9 H SER 32 H SER 32 -4.163 10.457 -24.541 10 HA SER 32 HA SER 32 -2.017 9.009 -25.835 11 HB2 SER 32 HB2 SER 32 -1.063 11.398 -25.318 12 HB3 SER 32 HB3 SER 32 -1.012 10.848 -23.637 13 HG SER 32 HG SER 32 0.368 9.178 -24.260 14 H GLY 33 H GLY 33 -3.541 10.009 -22.758 15 HA2 GLY 33 HA2 GLY 33 -4.410 8.640 -21.134 16 HA3 GLY 33 HA3 GLY 33 -3.674 7.232 -21.891 17 H LEU 34 H LEU 34 -1.812 10.102 -20.733 18 HA LEU 34 HA LEU 34 0.032 8.416 -19.347 19 HB2 LEU 34 HB2 LEU 34 -0.464 11.404 -19.357 20 HB3 LEU 34 HB3 LEU 34 0.723 10.692 -18.273 21 HG LEU 34 HG LEU 34 0.791 10.482 -21.310 22 HD11 LEU 34 HD11 LEU 34 2.762 11.970 -21.074 23 HD12 LEU 34 HD12 LEU 34 2.496 12.049 -19.320 24 HD13 LEU 34 HD13 LEU 34 1.304 12.739 -20.444 25 HD21 LEU 34 HD21 LEU 34 2.656 9.459 -19.125 26 HD22 LEU 34 HD22 LEU 34 3.162 9.639 -20.815 27 HD23 LEU 34 HD23 LEU 34 1.880 8.507 -20.410 28 HA PRO 35 HA PRO 35 -2.524 7.675 -15.867 29 HB2 PRO 35 HB2 PRO 35 -0.786 6.244 -14.216 30 HB3 PRO 35 HB3 PRO 35 -1.610 5.572 -15.626 31 HG2 PRO 35 HG2 PRO 35 1.201 6.657 -15.409 32 HG3 PRO 35 HG3 PRO 35 0.648 5.204 -16.286 33 HD2 PRO 35 HD2 PRO 35 1.163 7.567 -17.550 34 HD3 PRO 35 HD3 PRO 35 -0.148 6.479 -18.093 35 H THR 36 H THR 36 -3.023 8.191 -13.822 36 HA THR 36 HA THR 36 -1.129 8.784 -11.772 37 HB THR 36 HB THR 36 -1.076 11.010 -12.589 38 HG1 THR 36 HG1 THR 36 -2.616 11.585 -10.470 39 HG21 THR 36 HG21 THR 36 -2.963 12.544 -12.618 40 HG22 THR 36 HG22 THR 36 -4.082 11.231 -12.188 41 HG23 THR 36 HG23 THR 36 -3.240 11.217 -13.752 42 H THR 37 H THR 37 -2.639 6.672 -12.006 43 HA THR 37 HA THR 37 -4.895 7.048 -10.125 44 HB THR 37 HB THR 37 -6.311 5.556 -11.413 45 HG1 THR 37 HG1 THR 37 -4.858 5.619 -13.716 46 HG21 THR 37 HG21 THR 37 -6.560 7.920 -11.998 47 HG22 THR 37 HG22 THR 37 -6.773 6.903 -13.432 48 HG23 THR 37 HG23 THR 37 -5.266 7.798 -13.193 49 H LEU 38 H LEU 38 -5.602 5.157 -9.021 50 HA LEU 38 HA LEU 38 -3.564 3.514 -7.990 51 HB2 LEU 38 HB2 LEU 38 -6.570 3.220 -8.094 52 HB3 LEU 38 HB3 LEU 38 -5.610 1.851 -7.586 53 HG LEU 38 HG LEU 38 -5.689 4.539 -6.204 54 HD11 LEU 38 HD11 LEU 38 -6.583 1.730 -5.387 55 HD12 LEU 38 HD12 LEU 38 -7.669 3.041 -5.908 56 HD13 LEU 38 HD13 LEU 38 -6.738 3.197 -4.421 57 HD21 LEU 38 HD21 LEU 38 -4.363 3.379 -4.412 58 HD22 LEU 38 HD22 LEU 38 -3.433 3.665 -5.873 59 HD23 LEU 38 HD23 LEU 38 -4.070 2.036 -5.543 60 H GLY 39 H GLY 39 -5.475 2.866 -10.942 61 HA2 GLY 39 HA2 GLY 39 -4.969 0.179 -11.261 62 HA3 GLY 39 HA3 GLY 39 -5.024 1.303 -12.613 63 H LYS 40 H LYS 40 -2.568 2.766 -12.029 64 HA LYS 40 HA LYS 40 -0.550 0.755 -12.799 65 HB2 LYS 40 HB2 LYS 40 -0.759 3.771 -12.770 66 HB3 LYS 40 HB3 LYS 40 0.848 3.038 -12.834 67 HG2 LYS 40 HG2 LYS 40 -1.348 2.071 -14.707 68 HG3 LYS 40 HG3 LYS 40 -0.415 3.514 -15.076 69 HD2 LYS 40 HD2 LYS 40 1.665 2.306 -15.099 70 HD3 LYS 40 HD3 LYS 40 0.933 0.876 -14.356 71 HE2 LYS 40 HE2 LYS 40 -0.495 0.556 -16.364 72 HE3 LYS 40 HE3 LYS 40 0.335 1.914 -17.145 73 HZ1 LYS 40 HZ1 LYS 40 1.628 -0.594 -16.195 74 HZ2 LYS 40 HZ2 LYS 40 2.426 0.670 -16.877 75 HZ3 LYS 40 HZ3 LYS 40 1.334 -0.197 -17.768 76 H LEU 41 H LEU 41 -1.043 2.917 -10.018 77 HA LEU 41 HA LEU 41 1.326 2.087 -8.654 78 HB2 LEU 41 HB2 LEU 41 -0.109 4.035 -8.090 79 HB3 LEU 41 HB3 LEU 41 -1.303 2.954 -7.377 80 HG LEU 41 HG LEU 41 1.542 2.646 -6.432 81 HD11 LEU 41 HD11 LEU 41 -0.188 5.019 -5.608 82 HD12 LEU 41 HD12 LEU 41 1.343 5.096 -6.511 83 HD13 LEU 41 HD13 LEU 41 1.331 4.514 -4.837 84 HD21 LEU 41 HD21 LEU 41 -1.082 2.865 -4.897 85 HD22 LEU 41 HD22 LEU 41 0.492 2.341 -4.251 86 HD23 LEU 41 HD23 LEU 41 -0.358 1.342 -5.445 87 H ASP 42 H ASP 42 -1.902 0.553 -8.676 88 HA ASP 42 HA ASP 42 -1.414 -1.661 -6.946 89 HB2 ASP 42 HB2 ASP 42 -3.645 -1.047 -7.696 90 HB3 ASP 42 HB3 ASP 42 -3.172 -1.207 -9.389 91 H GLU 43 H GLU 43 -0.783 -1.312 -10.453 92 HA GLU 43 HA GLU 43 0.106 -4.001 -10.880 93 HB2 GLU 43 HB2 GLU 43 -0.541 -2.466 -12.677 94 HB3 GLU 43 HB3 GLU 43 0.837 -1.421 -12.337 95 HG2 GLU 43 HG2 GLU 43 2.409 -3.145 -13.007 96 HG3 GLU 43 HG3 GLU 43 1.107 -4.331 -13.165 97 H ARG 44 H ARG 44 1.850 -1.045 -9.875 98 HA ARG 44 HA ARG 44 4.439 -2.227 -9.595 99 HB2 ARG 44 HB2 ARG 44 3.658 0.265 -9.727 100 HB3 ARG 44 HB3 ARG 44 3.362 0.118 -7.986 101 HG2 ARG 44 HG2 ARG 44 5.726 -0.627 -7.688 102 HG3 ARG 44 HG3 ARG 44 5.973 -0.440 -9.431 103 HD2 ARG 44 HD2 ARG 44 5.426 1.972 -9.263 104 HD3 ARG 44 HD3 ARG 44 5.150 1.773 -7.517 105 HE ARG 44 HE ARG 44 7.736 0.869 -8.618 106 HH11 ARG 44 HH11 ARG 44 6.161 3.434 -6.712 107 HH12 ARG 44 HH12 ARG 44 7.657 3.675 -5.792 108 HH21 ARG 44 HH21 ARG 44 9.623 1.706 -7.674 109 HH22 ARG 44 HH22 ARG 44 9.411 2.776 -6.273 110 H LEU 45 H LEU 45 1.803 -1.717 -7.185 111 HA LEU 45 HA LEU 45 3.275 -2.841 -4.994 112 HB2 LEU 45 HB2 LEU 45 0.300 -2.474 -5.467 113 HB3 LEU 45 HB3 LEU 45 0.962 -3.107 -3.969 114 HG LEU 45 HG LEU 45 1.490 -0.324 -5.082 115 HD11 LEU 45 HD11 LEU 45 -0.139 -1.384 -2.739 116 HD12 LEU 45 HD12 LEU 45 -0.767 -0.636 -4.213 117 HD13 LEU 45 HD13 LEU 45 0.179 0.330 -3.061 118 HD21 LEU 45 HD21 LEU 45 2.471 -1.587 -2.497 119 HD22 LEU 45 HD22 LEU 45 2.530 0.136 -2.885 120 HD23 LEU 45 HD23 LEU 45 3.471 -0.995 -3.848 121 H ARG 46 H ARG 46 1.043 -4.406 -7.297 122 HA ARG 46 HA ARG 46 1.135 -7.057 -6.133 123 HB2 ARG 46 HB2 ARG 46 0.620 -6.008 -8.947 124 HB3 ARG 46 HB3 ARG 46 0.543 -7.726 -8.535 125 HG2 ARG 46 HG2 ARG 46 -1.257 -7.404 -6.994 126 HG3 ARG 46 HG3 ARG 46 -1.146 -5.637 -7.104 127 HD2 ARG 46 HD2 ARG 46 -1.750 -5.753 -9.494 128 HD3 ARG 46 HD3 ARG 46 -1.883 -7.507 -9.399 129 HE ARG 46 HE ARG 46 -3.664 -5.447 -8.175 130 HH11 ARG 46 HH11 ARG 46 -3.201 -8.902 -8.761 131 HH12 ARG 46 HH12 ARG 46 -4.916 -9.217 -8.859 132 HH21 ARG 46 HH21 ARG 46 -5.861 -6.012 -8.056 133 HH22 ARG 46 HH22 ARG 46 -6.334 -7.698 -8.204 134 H ASN 47 H ASN 47 3.322 -5.310 -8.335 135 HA ASN 47 HA ASN 47 5.163 -7.580 -8.563 136 HB2 ASN 47 HB2 ASN 47 5.225 -4.661 -9.327 137 HB3 ASN 47 HB3 ASN 47 6.722 -5.565 -9.264 138 HD21 ASN 47 HD21 ASN 47 5.144 -4.409 -11.527 139 HD22 ASN 47 HD22 ASN 47 5.137 -5.745 -12.680 140 H TYR 48 H TYR 48 5.098 -4.707 -6.373 141 HA TYR 48 HA TYR 48 7.456 -5.205 -4.980 142 HB2 TYR 48 HB2 TYR 48 4.897 -3.910 -4.337 143 HB3 TYR 48 HB3 TYR 48 5.858 -4.355 -3.015 144 HD1 TYR 48 HD1 TYR 48 8.034 -3.376 -2.661 145 HD2 TYR 48 HD2 TYR 48 5.337 -1.863 -5.603 146 HE1 TYR 48 HE1 TYR 48 9.220 -1.166 -2.609 147 HE2 TYR 48 HE2 TYR 48 6.502 0.338 -5.562 148 HH TYR 48 HH TYR 48 9.444 0.850 -3.595 149 H LEU 49 H LEU 49 4.398 -6.955 -4.517 150 HA LEU 49 HA LEU 49 5.399 -8.435 -2.237 151 HB2 LEU 49 HB2 LEU 49 3.242 -8.935 -4.326 152 HB3 LEU 49 HB3 LEU 49 3.643 -10.161 -3.123 153 HG LEU 49 HG LEU 49 2.975 -7.351 -2.258 154 HD11 LEU 49 HD11 LEU 49 0.674 -8.244 -1.841 155 HD12 LEU 49 HD12 LEU 49 1.107 -9.720 -2.728 156 HD13 LEU 49 HD13 LEU 49 1.058 -8.147 -3.567 157 HD21 LEU 49 HD21 LEU 49 2.835 -10.075 -0.919 158 HD22 LEU 49 HD22 LEU 49 2.331 -8.542 -0.172 159 HD23 LEU 49 HD23 LEU 49 4.021 -8.814 -0.593 160 H LYS 50 H LYS 50 5.340 -9.381 -5.720 161 HA LYS 50 HA LYS 50 6.755 -11.834 -5.271 162 HB2 LYS 50 HB2 LYS 50 6.795 -10.164 -7.801 163 HB3 LYS 50 HB3 LYS 50 7.148 -11.893 -7.606 164 HG2 LYS 50 HG2 LYS 50 4.817 -12.350 -6.978 165 HG3 LYS 50 HG3 LYS 50 4.422 -10.634 -7.089 166 HD2 LYS 50 HD2 LYS 50 5.224 -12.449 -9.395 167 HD3 LYS 50 HD3 LYS 50 3.623 -11.779 -9.051 168 HE2 LYS 50 HE2 LYS 50 4.771 -9.449 -9.220 169 HE3 LYS 50 HE3 LYS 50 6.126 -10.312 -9.961 170 HZ1 LYS 50 HZ1 LYS 50 3.343 -10.143 -10.933 171 HZ2 LYS 50 HZ2 LYS 50 4.420 -11.153 -11.617 172 HZ3 LYS 50 HZ3 LYS 50 4.633 -9.496 -11.663 173 H LYS 51 H LYS 51 7.914 -8.615 -6.100 174 HA LYS 51 HA LYS 51 10.760 -9.203 -6.164 175 HB2 LYS 51 HB2 LYS 51 9.095 -6.702 -6.127 176 HB3 LYS 51 HB3 LYS 51 10.870 -6.668 -6.157 177 HG2 LYS 51 HG2 LYS 51 10.870 -7.873 -8.274 178 HG3 LYS 51 HG3 LYS 51 9.085 -7.917 -8.267 179 HD2 LYS 51 HD2 LYS 51 9.051 -5.448 -8.185 180 HD3 LYS 51 HD3 LYS 51 10.819 -5.391 -8.256 181 HE2 LYS 51 HE2 LYS 51 9.023 -6.679 -10.353 182 HE3 LYS 51 HE3 LYS 51 9.598 -5.009 -10.417 183 HZ1 LYS 51 HZ1 LYS 51 11.023 -6.490 -11.727 184 HZ2 LYS 51 HZ2 LYS 51 11.888 -5.844 -10.522 185 HZ3 LYS 51 HZ3 LYS 51 11.383 -7.407 -10.432 186 H GLY 52 H GLY 52 8.646 -8.672 -3.451 187 HA2 GLY 52 HA2 GLY 52 10.983 -7.787 -1.788 188 HA3 GLY 52 HA3 GLY 52 9.393 -7.079 -1.711 189 H THR 53 H THR 53 8.386 -10.149 -1.935 190 HA THR 53 HA THR 53 8.926 -10.901 0.896 191 HB THR 53 HB THR 53 6.873 -12.036 0.928 192 HG1 THR 53 HG1 THR 53 6.539 -11.241 -1.813 193 HG21 THR 53 HG21 THR 53 5.214 -10.325 0.704 194 HG22 THR 53 HG22 THR 53 6.298 -9.354 -0.324 195 HG23 THR 53 HG23 THR 53 6.699 -9.656 1.381 196 H LYS 54 H LYS 54 9.256 -13.158 1.371 197 HA LYS 54 HA LYS 54 10.699 -14.627 -0.629 198 HB2 LYS 54 HB2 LYS 54 9.533 -15.579 2.014 199 HB3 LYS 54 HB3 LYS 54 10.635 -16.507 1.008 200 HG2 LYS 54 HG2 LYS 54 12.441 -15.002 1.342 201 HG3 LYS 54 HG3 LYS 54 11.402 -13.741 2.023 202 HD2 LYS 54 HD2 LYS 54 10.918 -15.174 3.979 203 HD3 LYS 54 HD3 LYS 54 11.996 -16.424 3.319 204 HE2 LYS 54 HE2 LYS 54 13.880 -14.790 3.368 205 HE3 LYS 54 HE3 LYS 54 12.792 -13.564 4.043 206 HZ1 LYS 54 HZ1 LYS 54 13.385 -16.169 5.342 207 HZ2 LYS 54 HZ2 LYS 54 12.481 -14.971 5.979 208 HZ3 LYS 54 HZ3 LYS 54 14.097 -14.737 5.785 209 H ASN 55 H ASN 55 7.308 -14.664 0.366 210 HA ASN 55 HA ASN 55 6.642 -16.044 -2.154 211 HB2 ASN 55 HB2 ASN 55 6.791 -17.829 -0.412 212 HB3 ASN 55 HB3 ASN 55 5.712 -16.887 0.625 213 HD21 ASN 55 HD21 ASN 55 4.244 -18.632 0.732 214 HD22 ASN 55 HD22 ASN 55 3.259 -19.054 -0.678 215 H SER 56 H SER 56 5.463 -14.575 -3.126 216 HA SER 56 HA SER 56 3.710 -12.662 -1.901 217 HB2 SER 56 HB2 SER 56 4.810 -12.214 -3.961 218 HB3 SER 56 HB3 SER 56 4.197 -13.669 -4.730 219 HG SER 56 HG SER 56 2.438 -12.650 -5.247 220 H ALA 57 H ALA 57 3.101 -15.971 -3.052 221 HA ALA 57 HA ALA 57 0.370 -15.715 -3.661 222 HB1 ALA 57 HB1 ALA 57 0.407 -18.168 -3.743 223 HB2 ALA 57 HB2 ALA 57 1.927 -18.198 -2.828 224 HB3 ALA 57 HB3 ALA 57 1.880 -17.502 -4.463 225 H GLN 58 H GLN 58 1.547 -15.565 -0.488 226 HA GLN 58 HA GLN 58 -0.782 -16.853 0.765 227 HB2 GLN 58 HB2 GLN 58 0.321 -16.285 2.851 228 HB3 GLN 58 HB3 GLN 58 1.436 -17.107 1.760 229 HG2 GLN 58 HG2 GLN 58 2.375 -14.834 1.115 230 HG3 GLN 58 HG3 GLN 58 1.359 -14.106 2.340 231 HE21 GLN 58 HE21 GLN 58 4.403 -14.787 1.727 232 HE22 GLN 58 HE22 GLN 58 4.943 -15.269 3.321 233 H PHE 59 H PHE 59 -0.060 -13.734 -0.559 234 HA PHE 59 HA PHE 59 -1.637 -12.238 1.407 235 HB2 PHE 59 HB2 PHE 59 -0.035 -11.417 -1.004 236 HB3 PHE 59 HB3 PHE 59 -0.976 -10.298 -0.021 237 HD1 PHE 59 HD1 PHE 59 -0.434 -9.895 2.362 238 HD2 PHE 59 HD2 PHE 59 2.085 -12.376 -0.093 239 HE1 PHE 59 HE1 PHE 59 1.328 -9.819 4.098 240 HE2 PHE 59 HE2 PHE 59 3.870 -12.258 1.618 241 HZ PHE 59 HZ PHE 59 3.491 -10.988 3.715 242 H GLU 60 H GLU 60 -3.414 -10.925 0.991 243 HA GLU 60 HA GLU 60 -5.287 -11.984 -1.119 244 HB2 GLU 60 HB2 GLU 60 -5.543 -13.178 0.977 245 HB3 GLU 60 HB3 GLU 60 -5.679 -11.677 1.883 246 HG2 GLU 60 HG2 GLU 60 -7.791 -11.163 0.713 247 HG3 GLU 60 HG3 GLU 60 -7.649 -12.660 -0.227 248 H LYS 61 H LYS 61 -4.549 -9.318 1.159 249 HA LYS 61 HA LYS 61 -5.588 -7.430 -0.808 250 HB2 LYS 61 HB2 LYS 61 -7.154 -6.287 0.541 251 HB3 LYS 61 HB3 LYS 61 -7.596 -7.983 0.584 252 HG2 LYS 61 HG2 LYS 61 -6.639 -8.194 2.852 253 HG3 LYS 61 HG3 LYS 61 -6.077 -6.516 2.794 254 HD2 LYS 61 HD2 LYS 61 -8.241 -5.630 2.818 255 HD3 LYS 61 HD3 LYS 61 -8.979 -7.145 2.325 256 HE2 LYS 61 HE2 LYS 61 -7.610 -6.698 5.012 257 HE3 LYS 61 HE3 LYS 61 -9.345 -6.525 4.729 258 HZ1 LYS 61 HZ1 LYS 61 -7.812 -9.061 4.511 259 HZ2 LYS 61 HZ2 LYS 61 -9.358 -8.895 4.015 260 HZ3 LYS 61 HZ3 LYS 61 -8.990 -8.667 5.596 261 H MET 62 H MET 62 -5.353 -5.191 -0.011 262 HA MET 62 HA MET 62 -3.029 -4.675 1.719 263 HB2 MET 62 HB2 MET 62 -1.712 -3.581 -0.010 264 HB3 MET 62 HB3 MET 62 -2.007 -5.266 -0.437 265 HG2 MET 62 HG2 MET 62 -3.824 -4.551 -1.981 266 HG3 MET 62 HG3 MET 62 -3.469 -2.861 -1.587 267 HE1 MET 62 HE1 MET 62 -2.144 -3.179 -5.260 268 HE2 MET 62 HE2 MET 62 -3.198 -2.275 -4.148 269 HE3 MET 62 HE3 MET 62 -3.575 -3.964 -4.572 270 H VAL 63 H VAL 63 -2.679 -2.465 2.160 271 HA VAL 63 HA VAL 63 -4.865 -0.585 1.515 272 HB VAL 63 HB VAL 63 -5.465 -1.754 3.615 273 HG11 VAL 63 HG11 VAL 63 -4.241 -1.659 5.576 274 HG12 VAL 63 HG12 VAL 63 -3.051 -0.498 4.901 275 HG13 VAL 63 HG13 VAL 63 -3.096 -2.173 4.341 276 HG21 VAL 63 HG21 VAL 63 -4.696 1.156 4.071 277 HG22 VAL 63 HG22 VAL 63 -5.828 0.188 5.040 278 HG23 VAL 63 HG23 VAL 63 -6.213 0.560 3.355 279 H ILE 64 H ILE 64 -4.183 1.463 1.261 280 HA ILE 64 HA ILE 64 -1.206 1.896 1.239 281 HB ILE 64 HB ILE 64 -3.289 2.863 -0.751 282 HG12 ILE 64 HG12 ILE 64 -1.387 0.561 -1.298 283 HG13 ILE 64 HG13 ILE 64 -3.032 0.283 -0.747 284 HG21 ILE 64 HG21 ILE 64 -0.244 2.751 -0.913 285 HG22 ILE 64 HG22 ILE 64 -1.220 4.215 -0.658 286 HG23 ILE 64 HG23 ILE 64 -1.322 3.353 -2.186 287 HD11 ILE 64 HD11 ILE 64 -3.933 1.491 -2.697 288 HD12 ILE 64 HD12 ILE 64 -2.983 0.056 -3.121 289 HD13 ILE 64 HD13 ILE 64 -2.278 1.664 -3.326 290 H LEU 65 H LEU 65 -0.488 3.829 2.078 291 HA LEU 65 HA LEU 65 -2.507 5.940 2.753 292 HB2 LEU 65 HB2 LEU 65 -0.063 5.287 4.431 293 HB3 LEU 65 HB3 LEU 65 -1.353 6.427 4.787 294 HG LEU 65 HG LEU 65 -1.565 3.402 4.814 295 HD11 LEU 65 HD11 LEU 65 -1.787 3.606 7.193 296 HD12 LEU 65 HD12 LEU 65 -1.897 5.380 7.110 297 HD13 LEU 65 HD13 LEU 65 -0.368 4.576 6.751 298 HD21 LEU 65 HD21 LEU 65 -3.802 3.744 5.804 299 HD22 LEU 65 HD22 LEU 65 -3.748 4.339 4.148 300 HD23 LEU 65 HD23 LEU 65 -3.680 5.496 5.490 301 H THR 66 H THR 66 -2.143 7.351 1.129 302 HA THR 66 HA THR 66 0.621 8.083 0.329 303 HB THR 66 HB THR 66 -0.408 9.388 -1.407 304 HG1 THR 66 HG1 THR 66 -2.190 10.226 -0.396 305 HG21 THR 66 HG21 THR 66 -0.274 6.931 -1.811 306 HG22 THR 66 HG22 THR 66 -1.589 7.718 -2.703 307 HG23 THR 66 HG23 THR 66 -1.956 6.775 -1.243 308 H GLU 67 H GLU 67 1.056 10.533 -0.049 309 HA GLU 67 HA GLU 67 0.568 12.244 2.174 310 HB2 GLU 67 HB2 GLU 67 0.572 13.275 -0.664 311 HB3 GLU 67 HB3 GLU 67 1.040 14.100 0.796 312 HG2 GLU 67 HG2 GLU 67 3.103 12.884 0.940 313 HG3 GLU 67 HG3 GLU 67 2.635 11.788 -0.365 314 H ASN 68 H ASN 68 -0.965 14.104 2.267 315 HA ASN 68 HA ASN 68 -3.015 15.071 2.260 316 HB2 ASN 68 HB2 ASN 68 -3.237 13.934 -0.542 317 HB3 ASN 68 HB3 ASN 68 -4.136 15.291 0.074 318 HD21 ASN 68 HD21 ASN 68 -1.806 14.766 -1.992 319 HD22 ASN 68 HD22 ASN 68 -0.614 16.005 -1.565 320 H LYS 69 H LYS 69 -2.793 12.594 3.465 321 HA LYS 69 HA LYS 69 -3.934 10.905 4.457 322 HB2 LYS 69 HB2 LYS 69 -6.209 12.900 4.192 323 HB3 LYS 69 HB3 LYS 69 -6.115 11.573 5.360 324 HG2 LYS 69 HG2 LYS 69 -4.041 12.544 6.321 325 HG3 LYS 69 HG3 LYS 69 -4.162 13.922 5.222 326 HD2 LYS 69 HD2 LYS 69 -6.253 13.175 7.298 327 HD3 LYS 69 HD3 LYS 69 -4.982 14.395 7.498 328 HE2 LYS 69 HE2 LYS 69 -5.862 15.697 5.619 329 HE3 LYS 69 HE3 LYS 69 -7.136 14.497 5.339 330 HZ1 LYS 69 HZ1 LYS 69 -6.818 15.983 7.883 331 HZ2 LYS 69 HZ2 LYS 69 -8.091 15.013 7.443 332 HZ3 LYS 69 HZ3 LYS 69 -7.832 16.461 6.688 333 H GLY 70 H GLY 70 -3.927 10.707 1.470 334 HA2 GLY 70 HA2 GLY 70 -6.316 9.332 0.654 335 HA3 GLY 70 HA3 GLY 70 -4.739 9.248 -0.120 336 H TYR 71 H TYR 71 -6.711 7.979 2.512 337 HA TYR 71 HA TYR 71 -5.250 5.420 2.689 338 HB2 TYR 71 HB2 TYR 71 -6.464 6.355 4.632 339 HB3 TYR 71 HB3 TYR 71 -7.966 6.297 3.736 340 HD1 TYR 71 HD1 TYR 71 -8.748 3.897 2.897 341 HD2 TYR 71 HD2 TYR 71 -5.946 4.548 6.137 342 HE1 TYR 71 HE1 TYR 71 -9.307 1.682 3.859 343 HE2 TYR 71 HE2 TYR 71 -6.624 2.411 7.139 344 HH TYR 71 HH TYR 71 -8.091 0.678 7.065 345 H TYR 72 H TYR 72 -5.651 3.709 1.373 346 HA TYR 72 HA TYR 72 -8.191 3.464 -0.171 347 HB2 TYR 72 HB2 TYR 72 -5.423 3.073 -1.375 348 HB3 TYR 72 HB3 TYR 72 -6.951 2.793 -2.169 349 HD1 TYR 72 HD1 TYR 72 -4.564 5.373 -0.995 350 HD2 TYR 72 HD2 TYR 72 -8.224 4.615 -3.160 351 HE1 TYR 72 HE1 TYR 72 -4.410 7.624 -2.054 352 HE2 TYR 72 HE2 TYR 72 -8.056 6.846 -4.226 353 HH TYR 72 HH TYR 72 -6.942 8.800 -4.297 354 H THR 73 H THR 73 -8.736 1.243 -0.637 355 HA THR 73 HA THR 73 -6.886 -0.829 0.427 356 HB THR 73 HB THR 73 -8.470 -0.175 2.197 357 HG1 THR 73 HG1 THR 73 -8.618 -2.128 2.850 358 HG21 THR 73 HG21 THR 73 -10.593 -1.520 0.484 359 HG22 THR 73 HG22 THR 73 -10.524 0.221 0.852 360 HG23 THR 73 HG23 THR 73 -10.770 -0.952 2.157 361 H VAL 74 H VAL 74 -6.829 -2.721 -0.644 362 HA VAL 74 HA VAL 74 -8.509 -3.052 -3.098 363 HB VAL 74 HB VAL 74 -5.467 -3.082 -3.164 364 HG11 VAL 74 HG11 VAL 74 -6.570 -4.346 -4.964 365 HG12 VAL 74 HG12 VAL 74 -5.821 -2.888 -5.609 366 HG13 VAL 74 HG13 VAL 74 -7.579 -2.936 -5.356 367 HG21 VAL 74 HG21 VAL 74 -5.568 -0.910 -4.395 368 HG22 VAL 74 HG22 VAL 74 -5.971 -0.773 -2.686 369 HG23 VAL 74 HG23 VAL 74 -7.267 -0.749 -3.896 370 H TYR 75 H TYR 75 -8.874 -5.186 -3.627 371 HA TYR 75 HA TYR 75 -7.601 -7.263 -1.928 372 HB2 TYR 75 HB2 TYR 75 -10.048 -7.379 -3.702 373 HB3 TYR 75 HB3 TYR 75 -9.367 -8.734 -2.829 374 HD1 TYR 75 HD1 TYR 75 -10.969 -5.384 -2.377 375 HD2 TYR 75 HD2 TYR 75 -9.732 -9.060 -0.479 376 HE1 TYR 75 HE1 TYR 75 -12.164 -4.719 -0.300 377 HE2 TYR 75 HE2 TYR 75 -10.976 -8.411 1.569 378 HH TYR 75 HH TYR 75 -12.092 -6.789 2.635 379 H LEU 76 H LEU 76 -5.914 -8.192 -2.623 380 HA LEU 76 HA LEU 76 -4.958 -8.434 -5.366 381 HB2 LEU 76 HB2 LEU 76 -4.179 -9.815 -2.760 382 HB3 LEU 76 HB3 LEU 76 -3.248 -9.883 -4.244 383 HG LEU 76 HG LEU 76 -3.840 -7.214 -2.874 384 HD11 LEU 76 HD11 LEU 76 -1.647 -7.400 -1.825 385 HD12 LEU 76 HD12 LEU 76 -1.512 -9.088 -2.391 386 HD13 LEU 76 HD13 LEU 76 -2.767 -8.627 -1.217 387 HD21 LEU 76 HD21 LEU 76 -3.023 -7.111 -5.204 388 HD22 LEU 76 HD22 LEU 76 -1.647 -8.157 -4.770 389 HD23 LEU 76 HD23 LEU 76 -1.793 -6.529 -4.077 390 H ASN 77 H ASN 77 -7.169 -10.181 -3.368 391 HA ASN 77 HA ASN 77 -7.011 -12.783 -4.432 392 HB2 ASN 77 HB2 ASN 77 -8.269 -11.868 -2.368 393 HB3 ASN 77 HB3 ASN 77 -9.545 -11.370 -3.481 394 HD21 ASN 77 HD21 ASN 77 -11.238 -12.861 -3.051 395 HD22 ASN 77 HD22 ASN 77 -10.927 -14.586 -2.887 396 H THR 78 H THR 78 -8.030 -9.986 -6.210 397 HA THR 78 HA THR 78 -9.320 -11.634 -8.274 398 HB THR 78 HB THR 78 -11.182 -9.997 -8.455 399 HG1 THR 78 HG1 THR 78 -11.584 -8.622 -6.763 400 HG21 THR 78 HG21 THR 78 -11.138 -11.245 -5.682 401 HG22 THR 78 HG22 THR 78 -11.518 -12.128 -7.180 402 HG23 THR 78 HG23 THR 78 -12.556 -10.796 -6.644 403 HA PRO 79 HA PRO 79 -7.285 -8.962 -11.178 404 HB2 PRO 79 HB2 PRO 79 -10.000 -8.690 -12.490 405 HB3 PRO 79 HB3 PRO 79 -8.415 -9.029 -13.257 406 HG2 PRO 79 HG2 PRO 79 -10.074 -11.082 -12.838 407 HG3 PRO 79 HG3 PRO 79 -8.366 -11.249 -12.276 408 HD2 PRO 79 HD2 PRO 79 -10.767 -10.450 -10.625 409 HD3 PRO 79 HD3 PRO 79 -9.559 -11.735 -10.322 410 H LEU 80 H LEU 80 -7.041 -6.746 -11.913 411 HA LEU 80 HA LEU 80 -7.792 -4.771 -10.021 412 HB2 LEU 80 HB2 LEU 80 -5.779 -4.562 -11.245 413 HB3 LEU 80 HB3 LEU 80 -6.597 -4.774 -12.792 414 HG LEU 80 HG LEU 80 -7.638 -2.527 -12.576 415 HD11 LEU 80 HD11 LEU 80 -6.906 -0.936 -10.936 416 HD12 LEU 80 HD12 LEU 80 -5.835 -2.122 -10.160 417 HD13 LEU 80 HD13 LEU 80 -7.602 -2.307 -10.074 418 HD21 LEU 80 HD21 LEU 80 -4.619 -2.557 -12.208 419 HD22 LEU 80 HD22 LEU 80 -5.571 -1.328 -13.066 420 HD23 LEU 80 HD23 LEU 80 -5.449 -2.987 -13.706 421 H ALA 81 H ALA 81 -9.578 -3.651 -9.744 422 HA ALA 81 HA ALA 81 -11.868 -3.733 -11.488 423 HB1 ALA 81 HB1 ALA 81 -11.147 -1.925 -9.134 424 HB2 ALA 81 HB2 ALA 81 -12.016 -3.477 -9.046 425 HB3 ALA 81 HB3 ALA 81 -12.759 -2.087 -9.858 426 H GLU 82 H GLU 82 -12.473 -2.440 -13.139 427 HA GLU 82 HA GLU 82 -10.826 -0.497 -14.355 428 HB2 GLU 82 HB2 GLU 82 -12.857 0.099 -15.661 429 HB3 GLU 82 HB3 GLU 82 -12.469 -1.620 -15.648 430 HG2 GLU 82 HG2 GLU 82 -14.248 -2.088 -14.064 431 HG3 GLU 82 HG3 GLU 82 -14.542 -0.368 -13.799 432 H ASP 83 H ASP 83 -13.021 0.002 -11.669 433 HA ASP 83 HA ASP 83 -13.224 2.894 -11.959 434 HB2 ASP 83 HB2 ASP 83 -13.519 1.002 -9.599 435 HB3 ASP 83 HB3 ASP 83 -13.759 2.744 -9.473 436 H ARG 84 H ARG 84 -10.853 0.696 -10.428 437 HA ARG 84 HA ARG 84 -9.343 2.868 -9.171 438 HB2 ARG 84 HB2 ARG 84 -8.807 -0.104 -9.550 439 HB3 ARG 84 HB3 ARG 84 -7.651 1.004 -8.818 440 HG2 ARG 84 HG2 ARG 84 -9.441 1.677 -7.146 441 HG3 ARG 84 HG3 ARG 84 -10.453 0.380 -7.806 442 HD2 ARG 84 HD2 ARG 84 -8.590 -1.241 -7.264 443 HD3 ARG 84 HD3 ARG 84 -7.709 0.077 -6.506 444 HE ARG 84 HE ARG 84 -9.369 0.218 -4.754 445 HH11 ARG 84 HH11 ARG 84 -9.975 -2.588 -6.840 446 HH12 ARG 84 HH12 ARG 84 -11.168 -3.172 -5.706 447 HH21 ARG 84 HH21 ARG 84 -10.606 -0.952 -3.297 448 HH22 ARG 84 HH22 ARG 84 -11.641 -2.237 -3.948 449 H LYS 85 H LYS 85 -9.331 1.358 -12.304 450 HA LYS 85 HA LYS 85 -6.803 2.471 -13.266 451 HB2 LYS 85 HB2 LYS 85 -9.335 1.584 -14.712 452 HB3 LYS 85 HB3 LYS 85 -7.882 2.152 -15.526 453 HG2 LYS 85 HG2 LYS 85 -6.564 0.338 -14.510 454 HG3 LYS 85 HG3 LYS 85 -8.019 -0.290 -13.713 455 HD2 LYS 85 HD2 LYS 85 -9.090 -0.720 -15.840 456 HD3 LYS 85 HD3 LYS 85 -7.800 0.081 -16.739 457 HE2 LYS 85 HE2 LYS 85 -7.235 -2.317 -14.962 458 HE3 LYS 85 HE3 LYS 85 -7.855 -2.530 -16.601 459 HZ1 LYS 85 HZ1 LYS 85 -5.393 -2.575 -16.480 460 HZ2 LYS 85 HZ2 LYS 85 -5.382 -0.984 -16.029 461 HZ3 LYS 85 HZ3 LYS 85 -5.974 -1.415 -17.495 462 H ASN 86 H ASN 86 -9.599 4.052 -12.256 463 HA ASN 86 HA ASN 86 -8.980 6.466 -13.922 464 HB2 ASN 86 HB2 ASN 86 -11.653 5.122 -13.359 465 HB3 ASN 86 HB3 ASN 86 -11.500 6.753 -14.012 466 HD21 ASN 86 HD21 ASN 86 -11.432 3.362 -14.837 467 HD22 ASN 86 HD22 ASN 86 -10.865 3.618 -16.490 468 H VAL 87 H VAL 87 -9.412 5.352 -10.702 469 HA VAL 87 HA VAL 87 -10.313 7.827 -9.511 470 HB VAL 87 HB VAL 87 -10.514 5.487 -8.580 471 HG11 VAL 87 HG11 VAL 87 -8.090 4.853 -8.868 472 HG12 VAL 87 HG12 VAL 87 -8.814 4.508 -7.280 473 HG13 VAL 87 HG13 VAL 87 -7.720 5.891 -7.480 474 HG21 VAL 87 HG21 VAL 87 -9.340 7.640 -6.775 475 HG22 VAL 87 HG22 VAL 87 -10.316 6.252 -6.260 476 HG23 VAL 87 HG23 VAL 87 -11.043 7.504 -7.275 477 H GLU 88 H GLU 88 -9.128 9.652 -8.920 478 HA GLU 88 HA GLU 88 -6.371 9.795 -9.857 479 HB2 GLU 88 HB2 GLU 88 -8.084 11.791 -8.327 480 HB3 GLU 88 HB3 GLU 88 -6.457 12.103 -8.954 481 HG2 GLU 88 HG2 GLU 88 -7.266 11.540 -11.256 482 HG3 GLU 88 HG3 GLU 88 -8.912 11.455 -10.623 483 H LEU 89 H LEU 89 -4.506 9.733 -8.795 484 HA LEU 89 HA LEU 89 -4.282 8.759 -6.083 485 HB2 LEU 89 HB2 LEU 89 -2.347 9.794 -8.189 486 HB3 LEU 89 HB3 LEU 89 -1.778 9.291 -6.624 487 HG LEU 89 HG LEU 89 -3.284 7.482 -8.537 488 HD11 LEU 89 HD11 LEU 89 -1.122 6.414 -8.934 489 HD12 LEU 89 HD12 LEU 89 -0.329 7.531 -7.803 490 HD13 LEU 89 HD13 LEU 89 -1.006 8.138 -9.323 491 HD21 LEU 89 HD21 LEU 89 -1.892 6.888 -5.897 492 HD22 LEU 89 HD22 LEU 89 -2.436 5.656 -7.057 493 HD23 LEU 89 HD23 LEU 89 -3.623 6.691 -6.260 494 H LEU 90 H LEU 90 -4.903 10.020 -4.425 495 HA LEU 90 HA LEU 90 -4.913 12.814 -4.232 496 HB2 LEU 90 HB2 LEU 90 -4.871 10.568 -2.217 497 HB3 LEU 90 HB3 LEU 90 -4.852 12.233 -1.661 498 HG LEU 90 HG LEU 90 -6.983 11.265 -3.604 499 HD11 LEU 90 HD11 LEU 90 -8.449 10.998 -1.619 500 HD12 LEU 90 HD12 LEU 90 -7.047 11.289 -0.562 501 HD13 LEU 90 HD13 LEU 90 -7.105 9.852 -1.602 502 HD21 LEU 90 HD21 LEU 90 -6.879 13.568 -1.601 503 HD22 LEU 90 HD22 LEU 90 -8.251 13.155 -2.648 504 HD23 LEU 90 HD23 LEU 90 -6.741 13.727 -3.368 505 H GLY 91 H GLY 91 -2.144 10.735 -3.638 506 HA2 GLY 91 HA2 GLY 91 -0.302 12.977 -3.594 507 HA3 GLY 91 HA3 GLY 91 -0.590 12.278 -1.996 508 H LYS 92 H LYS 92 1.931 12.162 -2.671 509 HA LYS 92 HA LYS 92 2.690 9.831 -4.197 510 HB2 LYS 92 HB2 LYS 92 4.013 12.063 -3.546 511 HB3 LYS 92 HB3 LYS 92 4.524 11.091 -2.177 512 HG2 LYS 92 HG2 LYS 92 6.186 10.745 -3.807 513 HG3 LYS 92 HG3 LYS 92 5.155 9.312 -3.976 514 HD2 LYS 92 HD2 LYS 92 3.998 10.439 -5.904 515 HD3 LYS 92 HD3 LYS 92 5.138 11.785 -5.736 516 HE2 LYS 92 HE2 LYS 92 7.033 10.276 -6.175 517 HE3 LYS 92 HE3 LYS 92 5.948 8.881 -6.220 518 HZ1 LYS 92 HZ1 LYS 92 6.492 9.653 -8.461 519 HZ2 LYS 92 HZ2 LYS 92 5.910 11.141 -8.143 520 HZ3 LYS 92 HZ3 LYS 92 4.883 9.850 -8.200 521 H MET 93 H MET 93 3.832 7.975 -3.451 522 HA MET 93 HA MET 93 2.160 6.473 -1.674 523 HB2 MET 93 HB2 MET 93 3.177 5.762 -3.913 524 HB3 MET 93 HB3 MET 93 4.696 5.538 -3.067 525 HG2 MET 93 HG2 MET 93 3.418 3.919 -1.514 526 HG3 MET 93 HG3 MET 93 2.045 4.114 -2.594 527 HE1 MET 93 HE1 MET 93 5.999 3.580 -3.059 528 HE2 MET 93 HE2 MET 93 5.982 1.844 -3.428 529 HE3 MET 93 HE3 MET 93 5.399 2.418 -1.852 530 H TYR 94 H TYR 94 3.052 8.036 0.237 531 HA TYR 94 HA TYR 94 5.490 7.623 1.445 532 HB2 TYR 94 HB2 TYR 94 3.886 9.295 2.203 533 HB3 TYR 94 HB3 TYR 94 2.796 8.054 2.764 534 HD1 TYR 94 HD1 TYR 94 6.484 8.784 3.214 535 HD2 TYR 94 HD2 TYR 94 2.717 7.820 5.080 536 HE1 TYR 94 HE1 TYR 94 7.575 8.846 5.445 537 HE2 TYR 94 HE2 TYR 94 3.797 7.899 7.309 538 HH TYR 94 HH TYR 94 7.283 8.634 7.693 539 H LYS 95 H LYS 95 2.618 5.514 2.090 540 HA LYS 95 HA LYS 95 4.453 3.350 2.975 541 HB2 LYS 95 HB2 LYS 95 3.656 5.007 4.918 542 HB3 LYS 95 HB3 LYS 95 2.138 4.158 4.749 543 HG2 LYS 95 HG2 LYS 95 3.152 2.969 6.454 544 HG3 LYS 95 HG3 LYS 95 3.581 1.975 5.072 545 HD2 LYS 95 HD2 LYS 95 5.536 2.168 6.405 546 HD3 LYS 95 HD3 LYS 95 5.806 3.237 5.024 547 HE2 LYS 95 HE2 LYS 95 5.060 5.183 6.478 548 HE3 LYS 95 HE3 LYS 95 4.832 4.045 7.814 549 HZ1 LYS 95 HZ1 LYS 95 7.402 4.819 6.559 550 HZ2 LYS 95 HZ2 LYS 95 7.269 3.557 7.632 551 HZ3 LYS 95 HZ3 LYS 95 6.920 5.075 8.104 552 H THR 96 H THR 96 3.546 1.270 2.870 553 HA THR 96 HA THR 96 0.640 0.977 2.271 554 HB THR 96 HB THR 96 2.753 -0.543 0.687 555 HG1 THR 96 HG1 THR 96 2.463 1.687 0.226 556 HG21 THR 96 HG21 THR 96 0.824 -1.156 -0.755 557 HG22 THR 96 HG22 THR 96 -0.280 -0.387 0.402 558 HG23 THR 96 HG23 THR 96 0.643 -1.828 0.856 559 H TYR 97 H TYR 97 -0.212 -0.941 2.914 560 HA TYR 97 HA TYR 97 1.454 -2.824 4.523 561 HB2 TYR 97 HB2 TYR 97 -1.277 -1.917 5.442 562 HB3 TYR 97 HB3 TYR 97 -0.082 -2.854 6.252 563 HD1 TYR 97 HD1 TYR 97 -0.479 0.643 4.860 564 HD2 TYR 97 HD2 TYR 97 1.035 -1.891 7.986 565 HE1 TYR 97 HE1 TYR 97 0.362 2.622 6.082 566 HE2 TYR 97 HE2 TYR 97 1.803 0.091 9.249 567 HH TYR 97 HH TYR 97 1.941 2.384 9.297 568 H PHE 98 H PHE 98 0.662 -4.944 4.652 569 HA PHE 98 HA PHE 98 -1.337 -5.799 2.573 570 HB2 PHE 98 HB2 PHE 98 1.555 -6.614 2.977 571 HB3 PHE 98 HB3 PHE 98 0.437 -7.521 1.992 572 HD1 PHE 98 HD1 PHE 98 2.287 -4.284 2.231 573 HD2 PHE 98 HD2 PHE 98 -0.106 -6.901 -0.204 574 HE1 PHE 98 HE1 PHE 98 2.917 -2.985 0.197 575 HE2 PHE 98 HE2 PHE 98 0.588 -5.649 -2.243 576 HZ PHE 98 HZ PHE 98 2.125 -3.723 -2.038 577 H PHE 99 H PHE 99 -2.351 -7.744 2.869 578 HA PHE 99 HA PHE 99 -2.080 -9.041 5.565 579 HB2 PHE 99 HB2 PHE 99 -4.561 -8.474 3.902 580 HB3 PHE 99 HB3 PHE 99 -4.541 -9.236 5.476 581 HD1 PHE 99 HD1 PHE 99 -4.014 -6.031 3.635 582 HD2 PHE 99 HD2 PHE 99 -4.439 -7.888 7.506 583 HE1 PHE 99 HE1 PHE 99 -4.356 -3.851 4.634 584 HE2 PHE 99 HE2 PHE 99 -4.707 -5.630 8.524 585 HZ PHE 99 HZ PHE 99 -4.550 -3.607 7.095 586 H LYS 100 H LYS 100 -1.991 -11.216 5.634 587 HA LYS 100 HA LYS 100 -2.020 -12.828 3.219 588 HB2 LYS 100 HB2 LYS 100 -1.932 -13.614 6.130 589 HB3 LYS 100 HB3 LYS 100 -1.753 -14.740 4.760 590 HG2 LYS 100 HG2 LYS 100 0.315 -14.126 4.251 591 HG3 LYS 100 HG3 LYS 100 0.096 -12.421 4.597 592 HD2 LYS 100 HD2 LYS 100 0.237 -12.927 7.040 593 HD3 LYS 100 HD3 LYS 100 0.470 -14.645 6.639 594 HE2 LYS 100 HE2 LYS 100 2.467 -13.765 5.183 595 HE3 LYS 100 HE3 LYS 100 2.335 -12.293 6.149 596 HZ1 LYS 100 HZ1 LYS 100 2.684 -15.020 7.275 597 HZ2 LYS 100 HZ2 LYS 100 2.698 -13.626 8.135 598 HZ3 LYS 100 HZ3 LYS 100 3.918 -13.952 7.088 599 H LYS 101 H LYS 101 -3.347 -14.706 2.857 600 HA LYS 101 HA LYS 101 -6.180 -14.232 2.918 601 HB2 LYS 101 HB2 LYS 101 -6.386 -16.275 1.650 602 HB3 LYS 101 HB3 LYS 101 -5.112 -15.255 1.023 603 HG2 LYS 101 HG2 LYS 101 -3.462 -16.775 2.338 604 HG3 LYS 101 HG3 LYS 101 -4.829 -17.898 2.453 605 HD2 LYS 101 HD2 LYS 101 -5.069 -17.865 -0.022 606 HD3 LYS 101 HD3 LYS 101 -3.728 -16.705 -0.133 607 HE2 LYS 101 HE2 LYS 101 -2.256 -18.414 1.012 608 HE3 LYS 101 HE3 LYS 101 -3.578 -19.573 0.878 609 HZ1 LYS 101 HZ1 LYS 101 -3.467 -19.384 -1.533 610 HZ2 LYS 101 HZ2 LYS 101 -1.957 -19.685 -0.984 611 HZ3 LYS 101 HZ3 LYS 101 -2.337 -18.180 -1.447 612 H GLY 102 H GLY 102 -5.832 -13.984 5.351 613 HA2 GLY 102 HA2 GLY 102 -7.549 -15.504 6.867 614 HA3 GLY 102 HA3 GLY 102 -5.998 -16.355 7.029 615 H GLU 103 H GLU 103 -6.686 -12.811 6.749 616 HA GLU 103 HA GLU 103 -5.492 -12.327 9.405 617 HB2 GLU 103 HB2 GLU 103 -3.670 -12.745 7.618 618 HB3 GLU 103 HB3 GLU 103 -4.183 -11.203 6.904 619 HG2 GLU 103 HG2 GLU 103 -3.530 -9.972 8.800 620 HG3 GLU 103 HG3 GLU 103 -3.371 -11.427 9.801 621 H SER 104 H SER 104 -5.769 -10.309 10.189 622 HA SER 104 HA SER 104 -7.114 -8.134 8.653 623 HB2 SER 104 HB2 SER 104 -8.057 -9.123 11.321 624 HB3 SER 104 HB3 SER 104 -8.698 -7.752 10.412 625 HG SER 104 HG SER 104 -8.794 -10.526 9.749 626 H LYS 105 H LYS 105 -4.390 -8.909 10.173 627 HA LYS 105 HA LYS 105 -3.864 -6.033 10.645 628 HB2 LYS 105 HB2 LYS 105 -4.147 -6.909 12.878 629 HB3 LYS 105 HB3 LYS 105 -2.974 -8.237 12.539 630 HG2 LYS 105 HG2 LYS 105 -1.165 -6.698 12.375 631 HG3 LYS 105 HG3 LYS 105 -2.218 -5.295 12.362 632 HD2 LYS 105 HD2 LYS 105 -1.368 -5.379 14.555 633 HD3 LYS 105 HD3 LYS 105 -2.998 -6.032 14.736 634 HE2 LYS 105 HE2 LYS 105 -2.155 -8.295 14.773 635 HE3 LYS 105 HE3 LYS 105 -0.560 -7.743 14.221 636 HZ1 LYS 105 HZ1 LYS 105 -0.407 -8.151 16.546 637 HZ2 LYS 105 HZ2 LYS 105 -1.702 -7.200 16.911 638 HZ3 LYS 105 HZ3 LYS 105 -0.324 -6.546 16.335 639 H SER 106 H SER 106 -2.238 -5.425 9.377 640 HA SER 106 HA SER 106 -1.469 -7.352 7.410 641 HB2 SER 106 HB2 SER 106 -0.028 -5.212 6.692 642 HB3 SER 106 HB3 SER 106 -1.766 -5.357 6.405 643 HG SER 106 HG SER 106 -2.191 -4.039 8.132 644 H SER 107 H SER 107 0.134 -8.756 7.445 645 HA SER 107 HA SER 107 2.421 -8.584 9.248 646 HB2 SER 107 HB2 SER 107 1.286 -10.702 8.722 647 HB3 SER 107 HB3 SER 107 1.617 -10.489 7.007 648 HG SER 107 HG SER 107 3.679 -10.659 8.959 649 H TYR 108 H TYR 108 1.983 -7.554 5.952 650 HA TYR 108 HA TYR 108 4.938 -7.101 5.755 651 HB2 TYR 108 HB2 TYR 108 4.408 -8.948 4.345 652 HB3 TYR 108 HB3 TYR 108 3.037 -8.115 3.643 653 HD1 TYR 108 HD1 TYR 108 6.749 -7.712 4.039 654 HD2 TYR 108 HD2 TYR 108 3.321 -7.208 1.507 655 HE1 TYR 108 HE1 TYR 108 8.248 -7.039 2.143 656 HE2 TYR 108 HE2 TYR 108 4.799 -6.612 -0.388 657 HH TYR 108 HH TYR 108 6.990 -6.504 -1.155 658 H VAL 109 H VAL 109 5.592 -5.248 4.940 659 HA VAL 109 HA VAL 109 3.702 -3.073 4.220 660 HB VAL 109 HB VAL 109 5.151 -1.698 5.983 661 HG11 VAL 109 HG11 VAL 109 3.469 -1.998 7.680 662 HG12 VAL 109 HG12 VAL 109 2.811 -3.413 6.818 663 HG13 VAL 109 HG13 VAL 109 2.796 -1.792 6.053 664 HG21 VAL 109 HG21 VAL 109 4.930 -4.383 7.423 665 HG22 VAL 109 HG22 VAL 109 5.679 -2.880 7.994 666 HG23 VAL 109 HG23 VAL 109 6.407 -3.788 6.648 667 H ILE 110 H ILE 110 4.717 -1.162 3.444 668 HA ILE 110 HA ILE 110 7.534 -1.487 2.479 669 HB ILE 110 HB ILE 110 5.132 -0.924 0.744 670 HG12 ILE 110 HG12 ILE 110 6.488 -3.571 1.296 671 HG13 ILE 110 HG13 ILE 110 4.782 -3.183 1.334 672 HG21 ILE 110 HG21 ILE 110 7.999 -1.628 -0.060 673 HG22 ILE 110 HG22 ILE 110 7.307 0.003 -0.123 674 HG23 ILE 110 HG23 ILE 110 6.661 -1.232 -1.161 675 HD11 ILE 110 HD11 ILE 110 5.044 -4.483 -0.556 676 HD12 ILE 110 HD12 ILE 110 6.568 -3.719 -0.998 677 HD13 ILE 110 HD13 ILE 110 5.008 -2.851 -1.226 678 H ASN 111 H ASN 111 8.564 0.371 1.916 679 HA ASN 111 HA ASN 111 7.293 2.919 2.849 680 HB2 ASN 111 HB2 ASN 111 10.228 2.115 2.604 681 HB3 ASN 111 HB3 ASN 111 9.615 3.622 3.283 682 HD21 ASN 111 HD21 ASN 111 8.012 3.302 5.117 683 HD22 ASN 111 HD22 ASN 111 8.517 2.110 6.332 684 H GLY 112 H GLY 112 7.302 4.743 1.577 685 HA2 GLY 112 HA2 GLY 112 8.971 4.865 -0.837 686 HA3 GLY 112 HA3 GLY 112 7.223 4.841 -1.111 687 HA PRO 113 HA PRO 113 8.879 9.159 -0.353 688 HB2 PRO 113 HB2 PRO 113 8.214 10.315 -2.730 689 HB3 PRO 113 HB3 PRO 113 9.696 9.337 -2.517 690 HG2 PRO 113 HG2 PRO 113 7.042 8.420 -3.659 691 HG3 PRO 113 HG3 PRO 113 8.660 8.179 -4.336 692 HD2 PRO 113 HD2 PRO 113 7.343 6.305 -2.851 693 HD3 PRO 113 HD3 PRO 113 9.121 6.467 -2.781 694 H GLY 114 H GLY 114 7.766 10.672 0.464 695 HA2 GLY 114 HA2 GLY 114 5.492 11.975 -0.122 696 HA3 GLY 114 HA3 GLY 114 4.837 10.606 0.767 697 H LYS 115 H LYS 115 7.508 10.756 2.437 698 HA LYS 115 HA LYS 115 8.109 11.372 4.503 699 HB2 LYS 115 HB2 LYS 115 7.508 14.021 3.206 700 HB3 LYS 115 HB3 LYS 115 8.116 13.942 4.866 701 HG2 LYS 115 HG2 LYS 115 10.086 12.656 4.086 702 HG3 LYS 115 HG3 LYS 115 9.513 12.769 2.420 703 HD2 LYS 115 HD2 LYS 115 10.224 15.121 4.236 704 HD3 LYS 115 HD3 LYS 115 11.265 14.462 2.981 705 HE2 LYS 115 HE2 LYS 115 8.528 15.734 2.480 706 HE3 LYS 115 HE3 LYS 115 10.078 16.559 2.313 707 HZ1 LYS 115 HZ1 LYS 115 9.247 14.199 0.715 708 HZ2 LYS 115 HZ2 LYS 115 10.698 14.927 0.611 709 HZ3 LYS 115 HZ3 LYS 115 9.326 15.736 0.174 710 H THR 116 H THR 116 4.794 12.201 3.878 711 HA THR 116 HA THR 116 3.990 11.592 6.589 712 HB THR 116 HB THR 116 4.787 13.899 6.923 713 HG1 THR 116 HG1 THR 116 3.203 14.223 8.129 714 HG21 THR 116 HG21 THR 116 2.698 14.789 4.892 715 HG22 THR 116 HG22 THR 116 4.461 14.862 4.658 716 HG23 THR 116 HG23 THR 116 3.695 15.827 5.930 717 H ASN 117 H ASN 117 1.700 11.400 6.741 718 HA ASN 117 HA ASN 117 0.232 11.286 4.164 719 HB2 ASN 117 HB2 ASN 117 -0.516 10.537 7.014 720 HB3 ASN 117 HB3 ASN 117 -1.561 10.321 5.604 721 HD21 ASN 117 HD21 ASN 117 -0.299 9.173 3.702 722 HD22 ASN 117 HD22 ASN 117 0.616 7.755 4.179 723 H GLU 118 H GLU 118 0.731 13.519 6.815 724 HA GLU 118 HA GLU 118 -1.824 14.922 6.488 725 HB2 GLU 118 HB2 GLU 118 0.655 15.447 8.147 726 HB3 GLU 118 HB3 GLU 118 -0.766 16.502 8.144 727 HG2 GLU 118 HG2 GLU 118 -2.175 14.656 8.954 728 HG3 GLU 118 HG3 GLU 118 -0.786 13.560 8.932 729 H TYR 119 H TYR 119 -1.984 15.781 4.448 730 HA TYR 119 HA TYR 119 -1.862 17.336 2.855 731 HB2 TYR 119 HB2 TYR 119 -2.635 18.447 4.959 732 HB3 TYR 119 HB3 TYR 119 -1.001 19.034 5.215 733 HD1 TYR 119 HD1 TYR 119 -3.485 18.998 2.344 734 HD2 TYR 119 HD2 TYR 119 -0.840 21.316 4.843 735 HE1 TYR 119 HE1 TYR 119 -4.077 21.062 1.074 736 HE2 TYR 119 HE2 TYR 119 -1.449 23.361 3.586 737 HH TYR 119 HH TYR 119 -2.496 24.203 1.728 738 H ALA 120 H ALA 120 0.588 15.946 3.022 739 HA ALA 120 HA ALA 120 2.801 15.928 2.443 740 HB1 ALA 120 HB1 ALA 120 3.258 16.877 0.227 741 HB2 ALA 120 HB2 ALA 120 1.856 17.954 0.364 742 HB3 ALA 120 HB3 ALA 120 1.621 16.202 0.246 743 H TYR 121 H TYR 121 2.341 17.676 4.623 744 HA TYR 121 HA TYR 121 3.962 20.109 4.045 745 HB2 TYR 121 HB2 TYR 121 1.542 20.334 4.492 746 HB3 TYR 121 HB3 TYR 121 1.764 19.623 6.072 747 HD1 TYR 121 HD1 TYR 121 4.124 22.186 4.623 748 HD2 TYR 121 HD2 TYR 121 0.747 21.451 7.205 749 HE1 TYR 121 HE1 TYR 121 4.193 24.547 5.400 750 HE2 TYR 121 HE2 TYR 121 0.859 23.798 8.004 751 HH TYR 121 HH TYR 121 1.759 25.845 7.682 752 H1 ACE 6 H1 ACE 6 18.210 -6.584 -3.200 753 H2 ACE 6 H2 ACE 6 17.289 -7.012 -4.659 754 H3 ACE 6 H3 ACE 6 16.620 -5.842 -3.501 755 H THR 7 H THR 7 16.611 -4.999 -5.958 756 HA THR 7 HA THR 7 18.794 -2.980 -6.125 757 HB THR 7 HB THR 7 19.331 -4.981 -7.529 758 HG1 THR 7 HG1 THR 7 19.076 -3.097 -9.449 759 HG21 THR 7 HG21 THR 7 17.036 -4.038 -9.301 760 HG22 THR 7 HG22 THR 7 17.093 -5.560 -8.384 761 HG23 THR 7 HG23 THR 7 18.244 -5.270 -9.696 762 H THR 8 H THR 8 15.881 -2.963 -5.432 763 HA THR 8 HA THR 8 15.026 -0.742 -7.215 764 HB THR 8 HB THR 8 12.672 -1.719 -7.138 765 HG1 THR 8 HG1 THR 8 12.482 -3.434 -6.009 766 HG21 THR 8 HG21 THR 8 14.736 -3.339 -8.650 767 HG22 THR 8 HG22 THR 8 14.064 -1.769 -9.156 768 HG23 THR 8 HG23 THR 8 13.002 -3.181 -9.015 769 HA PRO 9 HA PRO 9 14.046 1.643 -3.817 770 HB2 PRO 9 HB2 PRO 9 11.256 2.068 -4.830 771 HB3 PRO 9 HB3 PRO 9 12.438 3.285 -4.276 772 HG2 PRO 9 HG2 PRO 9 12.077 2.877 -6.918 773 HG3 PRO 9 HG3 PRO 9 13.745 3.022 -6.272 774 HD2 PRO 9 HD2 PRO 9 12.196 0.520 -6.969 775 HD3 PRO 9 HD3 PRO 9 13.879 0.950 -7.363 776 H ASP 10 H ASP 10 14.055 0.534 -2.038 777 HA ASP 10 HA ASP 10 13.438 -0.266 -0.035 778 HB2 ASP 10 HB2 ASP 10 11.576 1.364 -0.078 779 HB3 ASP 10 HB3 ASP 10 10.525 0.102 -0.728 780 HN2 TYS 11 HN2 TYS 11 11.063 -1.466 -1.963 781 HA TYS 11 HA TYS 11 9.951 -3.458 -2.178 782 HB2 TYS 11 HB2 TYS 11 12.660 -4.346 -3.059 783 HB3 TYS 11 HB3 TYS 11 11.291 -5.457 -2.999 784 HD1 TYS 11 HD1 TYS 11 9.469 -5.306 -4.628 785 HD2 TYS 11 HD2 TYS 11 12.116 -2.001 -4.085 786 HE1 TYS 11 HE1 TYS 11 8.418 -4.199 -6.469 787 HE2 TYS 11 HE2 TYS 11 10.746 -0.716 -5.626 788 H GLY 12 H GLY 12 9.690 -2.789 -0.245 789 HA2 GLY 12 HA2 GLY 12 8.629 -3.182 1.623 790 HA3 GLY 12 HA3 GLY 12 8.452 -4.800 0.979 791 H HIS 13 H HIS 13 8.249 -4.504 3.645 792 HA HIS 13 HA HIS 13 10.398 -6.238 4.642 793 HB2 HIS 13 HB2 HIS 13 10.516 -5.046 6.760 794 HB3 HIS 13 HB3 HIS 13 11.242 -4.111 5.458 795 HD1 HIS 13 HD1 HIS 13 9.761 -1.967 4.557 796 HD2 HIS 13 HD2 HIS 13 8.516 -3.795 8.168 797 HE1 HIS 13 HE1 HIS 13 7.884 -0.474 5.536 798 HE2 HIS 13 HE2 HIS 13 7.372 -1.427 7.879 799 HN2 TYS 14 HN2 TYS 14 9.719 -7.440 6.539 800 HA TYS 14 HA TYS 14 6.752 -7.396 6.943 801 HB2 TYS 14 HB2 TYS 14 8.821 -9.549 7.470 802 HB3 TYS 14 HB3 TYS 14 7.203 -9.588 8.113 803 HD1 TYS 14 HD1 TYS 14 8.855 -9.215 4.622 804 HD2 TYS 14 HD2 TYS 14 5.488 -10.613 6.960 805 HE1 TYS 14 HE1 TYS 14 8.296 -10.742 2.898 806 HE2 TYS 14 HE2 TYS 14 4.920 -12.162 5.144 807 H ASP 15 H ASP 15 5.796 -7.182 8.812 808 HA ASP 15 HA ASP 15 7.350 -6.452 11.184 809 HB2 ASP 15 HB2 ASP 15 7.064 -4.398 9.547 810 HB3 ASP 15 HB3 ASP 15 5.464 -4.318 10.202 811 H ASP 16 H ASP 16 5.963 -5.843 12.986 812 HA ASP 16 HA ASP 16 3.345 -7.254 13.123 813 HB2 ASP 16 HB2 ASP 16 5.913 -8.149 14.475 814 HB3 ASP 16 HB3 ASP 16 4.367 -8.447 15.252 815 H LYS 17 H LYS 17 4.993 -4.543 13.811 816 HA LYS 17 HA LYS 17 3.103 -3.739 15.967 817 HB2 LYS 17 HB2 LYS 17 4.906 -2.644 17.240 818 HB3 LYS 17 HB3 LYS 17 5.022 -4.402 17.198 819 HG2 LYS 17 HG2 LYS 17 6.713 -4.012 15.230 820 HG3 LYS 17 HG3 LYS 17 6.755 -2.351 15.788 821 HD2 LYS 17 HD2 LYS 17 8.624 -3.625 16.644 822 HD3 LYS 17 HD3 LYS 17 7.584 -3.171 18.006 823 HE2 LYS 17 HE2 LYS 17 6.738 -5.403 18.212 824 HE3 LYS 17 HE3 LYS 17 7.334 -5.866 16.606 825 HZ1 LYS 17 HZ1 LYS 17 9.526 -5.966 17.390 826 HZ2 LYS 17 HZ2 LYS 17 9.222 -5.094 18.744 827 HZ3 LYS 17 HZ3 LYS 17 8.676 -6.609 18.654 828 H ASP 18 H ASP 18 5.181 -2.799 13.285 829 HA ASP 18 HA ASP 18 3.628 -0.240 13.074 830 HB2 ASP 18 HB2 ASP 18 6.172 -1.140 11.687 831 HB3 ASP 18 HB3 ASP 18 5.256 0.314 11.306 832 H THR 19 H THR 19 1.907 -1.896 12.783 833 HA THR 19 HA THR 19 1.496 -2.763 9.952 834 HB THR 19 HB THR 19 1.574 -4.754 11.340 835 HG1 THR 19 HG1 THR 19 0.117 -5.169 10.130 836 HG21 THR 19 HG21 THR 19 -0.457 -3.602 13.229 837 HG22 THR 19 HG22 THR 19 1.283 -3.660 13.585 838 HG23 THR 19 HG23 THR 19 0.429 -5.152 13.300 839 H LEU 20 H LEU 20 -0.879 -2.794 9.315 840 HA LEU 20 HA LEU 20 -2.432 -0.538 10.471 841 HB2 LEU 20 HB2 LEU 20 -1.584 -0.230 8.132 842 HB3 LEU 20 HB3 LEU 20 -2.461 -1.670 7.639 843 HG LEU 20 HG LEU 20 -3.485 0.301 6.889 844 HD11 LEU 20 HD11 LEU 20 -5.176 -0.718 9.160 845 HD12 LEU 20 HD12 LEU 20 -4.922 -1.489 7.583 846 HD13 LEU 20 HD13 LEU 20 -5.713 0.084 7.657 847 HD21 LEU 20 HD21 LEU 20 -2.556 1.870 8.566 848 HD22 LEU 20 HD22 LEU 20 -3.748 1.289 9.750 849 HD23 LEU 20 HD23 LEU 20 -4.286 2.117 8.267 850 H ASP 21 H ASP 21 -3.510 -1.567 11.954 851 HA ASP 21 HA ASP 21 -4.497 -4.305 11.659 852 HB2 ASP 21 HB2 ASP 21 -4.788 -4.381 13.957 853 HB3 ASP 21 HB3 ASP 21 -3.202 -3.699 13.639 854 H LEU 22 H LEU 22 -6.191 -4.463 10.541 855 HA LEU 22 HA LEU 22 -8.370 -2.588 10.285 856 HB2 LEU 22 HB2 LEU 22 -7.308 -5.036 9.070 857 HB3 LEU 22 HB3 LEU 22 -9.044 -5.201 9.278 858 HG LEU 22 HG LEU 22 -9.341 -3.166 7.862 859 HD11 LEU 22 HD11 LEU 22 -7.452 -1.816 8.450 860 HD12 LEU 22 HD12 LEU 22 -7.107 -2.337 6.790 861 HD13 LEU 22 HD13 LEU 22 -6.322 -3.146 8.177 862 HD21 LEU 22 HD21 LEU 22 -7.209 -5.061 6.761 863 HD22 LEU 22 HD22 LEU 22 -8.324 -4.068 5.801 864 HD23 LEU 22 HD23 LEU 22 -8.961 -5.408 6.792 865 H ASN 23 H ASN 23 -7.745 -4.210 12.984 866 HA ASN 23 HA ASN 23 -10.420 -5.422 13.393 867 HB2 ASN 23 HB2 ASN 23 -7.719 -5.742 14.736 868 HB3 ASN 23 HB3 ASN 23 -9.180 -6.529 15.305 869 HD21 ASN 23 HD21 ASN 23 -6.548 -7.355 13.953 870 HD22 ASN 23 HD22 ASN 23 -7.184 -8.762 13.103 871 H THR 24 H THR 24 -8.331 -2.957 15.077 872 HA THR 24 HA THR 24 -10.506 -2.498 17.033 873 HB THR 24 HB THR 24 -9.271 -4.668 17.468 874 HG1 THR 24 HG1 THR 24 -9.644 -4.520 19.506 875 HG21 THR 24 HG21 THR 24 -7.210 -4.618 18.717 876 HG22 THR 24 HG22 THR 24 -7.119 -2.852 18.603 877 HG23 THR 24 HG23 THR 24 -6.974 -3.843 17.138 878 HA PRO 25 HA PRO 25 -6.459 0.198 17.486 879 HB2 PRO 25 HB2 PRO 25 -6.441 2.249 15.627 880 HB3 PRO 25 HB3 PRO 25 -5.718 0.635 15.362 881 HG2 PRO 25 HG2 PRO 25 -8.461 1.567 14.499 882 HG3 PRO 25 HG3 PRO 25 -7.198 0.726 13.545 883 HD2 PRO 25 HD2 PRO 25 -9.201 -0.701 14.641 884 HD3 PRO 25 HD3 PRO 25 -7.514 -1.300 14.682 885 H VAL 26 H VAL 26 -6.478 1.640 19.097 886 HA VAL 26 HA VAL 26 -8.057 4.059 19.096 887 HB VAL 26 HB VAL 26 -9.810 2.527 19.783 888 HG11 VAL 26 HG11 VAL 26 -9.856 1.280 21.829 889 HG12 VAL 26 HG12 VAL 26 -8.220 1.798 22.260 890 HG13 VAL 26 HG13 VAL 26 -8.482 0.743 20.857 891 HG21 VAL 26 HG21 VAL 26 -10.536 3.627 21.849 892 HG22 VAL 26 HG22 VAL 26 -9.912 4.769 20.653 893 HG23 VAL 26 HG23 VAL 26 -8.918 4.321 22.055 894 H ASP 27 H ASP 27 -6.805 5.552 20.000 895 HA ASP 27 HA ASP 27 -4.391 4.634 21.548 896 HB2 ASP 27 HB2 ASP 27 -4.539 6.571 19.213 897 HB3 ASP 27 HB3 ASP 27 -3.083 6.163 20.120 898 H LYS 28 H LYS 28 -7.003 6.703 21.759 899 HA LYS 28 HA LYS 28 -5.689 8.167 23.973 900 HB2 LYS 28 HB2 LYS 28 -6.810 10.310 23.269 901 HB3 LYS 28 HB3 LYS 28 -5.393 9.807 22.357 902 HG2 LYS 28 HG2 LYS 28 -6.797 9.027 20.493 903 HG3 LYS 28 HG3 LYS 28 -8.263 9.416 21.394 904 HD2 LYS 28 HD2 LYS 28 -7.865 11.151 19.791 905 HD3 LYS 28 HD3 LYS 28 -7.566 11.828 21.403 906 HE2 LYS 28 HE2 LYS 28 -5.148 11.575 21.101 907 HE3 LYS 28 HE3 LYS 28 -5.392 10.723 19.566 908 HZ1 LYS 28 HZ1 LYS 28 -4.834 13.042 19.195 909 HZ2 LYS 28 HZ2 LYS 28 -6.124 13.562 20.062 910 HZ3 LYS 28 HZ3 LYS 28 -6.348 12.748 18.655 911 HN1 NH2 29 HN1 NH2 29 -6.764 6.723 25.287 912 HN2 NH2 29 HN2 NH2 29 -8.480 6.884 25.590 Start of MODEL 13 1 H1 ASN 31 H1 ASN 31 -1.110 15.885 -20.390 2 H2 ASN 31 H2 ASN 31 -1.085 17.356 -21.116 3 H3 ASN 31 H3 ASN 31 0.207 16.346 -21.239 4 HA ASN 31 HA ASN 31 0.754 18.063 -19.718 5 HB2 ASN 31 HB2 ASN 31 -1.661 17.121 -18.094 6 HB3 ASN 31 HB3 ASN 31 -0.466 18.305 -17.600 7 HD21 ASN 31 HD21 ASN 31 -1.524 20.307 -17.594 8 HD22 ASN 31 HD22 ASN 31 -2.530 20.854 -18.934 9 H SER 32 H SER 32 -0.677 15.032 -18.385 10 HA SER 32 HA SER 32 1.577 14.594 -16.635 11 HB2 SER 32 HB2 SER 32 -0.930 14.116 -16.257 12 HB3 SER 32 HB3 SER 32 -0.655 12.636 -17.186 13 HG SER 32 HG SER 32 -0.366 12.284 -14.969 14 H GLY 33 H GLY 33 2.275 12.223 -16.371 15 HA2 GLY 33 HA2 GLY 33 2.808 10.530 -18.576 16 HA3 GLY 33 HA3 GLY 33 4.186 11.628 -18.417 17 H LEU 34 H LEU 34 4.148 11.824 -15.497 18 HA LEU 34 HA LEU 34 5.162 9.152 -14.724 19 HB2 LEU 34 HB2 LEU 34 5.060 11.849 -13.328 20 HB3 LEU 34 HB3 LEU 34 5.650 10.382 -12.552 21 HG LEU 34 HG LEU 34 6.852 11.585 -15.081 22 HD11 LEU 34 HD11 LEU 34 8.695 12.313 -13.660 23 HD12 LEU 34 HD12 LEU 34 7.893 11.653 -12.224 24 HD13 LEU 34 HD13 LEU 34 7.180 13.030 -13.094 25 HD21 LEU 34 HD21 LEU 34 7.732 9.296 -13.266 26 HD22 LEU 34 HD22 LEU 34 8.769 10.043 -14.491 27 HD23 LEU 34 HD23 LEU 34 7.311 9.197 -14.992 28 HA PRO 35 HA PRO 35 1.279 7.901 -13.314 29 HB2 PRO 35 HB2 PRO 35 1.803 5.874 -11.562 30 HB3 PRO 35 HB3 PRO 35 2.168 5.772 -13.313 31 HG2 PRO 35 HG2 PRO 35 4.087 6.519 -11.092 32 HG3 PRO 35 HG3 PRO 35 4.324 5.318 -12.404 33 HD2 PRO 35 HD2 PRO 35 5.296 7.846 -12.611 34 HD3 PRO 35 HD3 PRO 35 4.599 7.013 -14.033 35 H THR 36 H THR 36 -0.249 8.601 -11.957 36 HA THR 36 HA THR 36 0.154 8.346 -9.062 37 HB THR 36 HB THR 36 0.870 10.634 -9.462 38 HG1 THR 36 HG1 THR 36 -1.128 11.410 -8.057 39 HG21 THR 36 HG21 THR 36 -0.643 12.428 -10.010 40 HG22 THR 36 HG22 THR 36 -1.979 11.296 -10.292 41 HG23 THR 36 HG23 THR 36 -0.561 11.292 -11.362 42 H THR 37 H THR 37 -1.216 6.668 -10.729 43 HA THR 37 HA THR 37 -4.026 7.090 -9.826 44 HB THR 37 HB THR 37 -4.833 5.915 -11.861 45 HG1 THR 37 HG1 THR 37 -3.289 5.729 -13.584 46 HG21 THR 37 HG21 THR 37 -4.509 7.671 -13.503 47 HG22 THR 37 HG22 THR 37 -3.139 8.334 -12.584 48 HG23 THR 37 HG23 THR 37 -4.777 8.379 -11.908 49 H LEU 38 H LEU 38 -5.187 5.268 -9.132 50 HA LEU 38 HA LEU 38 -3.634 3.231 -7.916 51 HB2 LEU 38 HB2 LEU 38 -6.592 3.426 -8.501 52 HB3 LEU 38 HB3 LEU 38 -5.926 1.910 -7.939 53 HG LEU 38 HG LEU 38 -5.761 4.523 -6.434 54 HD11 LEU 38 HD11 LEU 38 -7.340 3.441 -4.891 55 HD12 LEU 38 HD12 LEU 38 -7.349 1.969 -5.884 56 HD13 LEU 38 HD13 LEU 38 -8.030 3.478 -6.513 57 HD21 LEU 38 HD21 LEU 38 -4.871 1.700 -5.655 58 HD22 LEU 38 HD22 LEU 38 -4.999 3.068 -4.527 59 HD23 LEU 38 HD23 LEU 38 -3.816 3.116 -5.827 60 H GLY 39 H GLY 39 -5.142 3.074 -11.165 61 HA2 GLY 39 HA2 GLY 39 -4.800 0.357 -11.683 62 HA3 GLY 39 HA3 GLY 39 -4.577 1.602 -12.907 63 H LYS 40 H LYS 40 -2.400 2.919 -12.224 64 HA LYS 40 HA LYS 40 -0.215 1.177 -13.039 65 HB2 LYS 40 HB2 LYS 40 -0.348 4.134 -12.284 66 HB3 LYS 40 HB3 LYS 40 1.078 3.325 -12.961 67 HG2 LYS 40 HG2 LYS 40 -0.182 2.736 -14.994 68 HG3 LYS 40 HG3 LYS 40 -1.635 3.505 -14.340 69 HD2 LYS 40 HD2 LYS 40 -0.541 5.702 -14.380 70 HD3 LYS 40 HD3 LYS 40 0.954 4.951 -15.002 71 HE2 LYS 40 HE2 LYS 40 -0.172 4.195 -17.012 72 HE3 LYS 40 HE3 LYS 40 -1.735 4.752 -16.413 73 HZ1 LYS 40 HZ1 LYS 40 0.538 6.568 -16.972 74 HZ2 LYS 40 HZ2 LYS 40 -1.010 7.008 -16.586 75 HZ3 LYS 40 HZ3 LYS 40 -0.690 6.260 -18.016 76 H LEU 41 H LEU 41 -1.139 2.732 -9.949 77 HA LEU 41 HA LEU 41 1.302 1.888 -8.630 78 HB2 LEU 41 HB2 LEU 41 -0.314 3.773 -7.905 79 HB3 LEU 41 HB3 LEU 41 -1.330 2.478 -7.262 80 HG LEU 41 HG LEU 41 0.849 1.688 -6.022 81 HD11 LEU 41 HD11 LEU 41 2.468 3.147 -7.214 82 HD12 LEU 41 HD12 LEU 41 2.434 3.487 -5.481 83 HD13 LEU 41 HD13 LEU 41 1.611 4.582 -6.607 84 HD21 LEU 41 HD21 LEU 41 -1.101 2.699 -4.932 85 HD22 LEU 41 HD22 LEU 41 -0.413 4.319 -5.201 86 HD23 LEU 41 HD23 LEU 41 0.427 3.144 -4.151 87 H ASP 42 H ASP 42 -1.994 0.443 -8.790 88 HA ASP 42 HA ASP 42 -1.536 -1.828 -7.129 89 HB2 ASP 42 HB2 ASP 42 -3.770 -1.092 -7.806 90 HB3 ASP 42 HB3 ASP 42 -3.373 -1.335 -9.509 91 H GLU 43 H GLU 43 -0.906 -1.376 -10.614 92 HA GLU 43 HA GLU 43 -0.106 -4.111 -11.091 93 HB2 GLU 43 HB2 GLU 43 -0.753 -2.324 -12.815 94 HB3 GLU 43 HB3 GLU 43 0.853 -1.639 -12.618 95 HG2 GLU 43 HG2 GLU 43 1.890 -3.599 -13.541 96 HG3 GLU 43 HG3 GLU 43 0.434 -4.573 -13.305 97 H ARG 44 H ARG 44 1.740 -1.152 -10.205 98 HA ARG 44 HA ARG 44 4.269 -2.525 -10.037 99 HB2 ARG 44 HB2 ARG 44 3.736 0.055 -10.157 100 HB3 ARG 44 HB3 ARG 44 3.693 -0.062 -8.397 101 HG2 ARG 44 HG2 ARG 44 5.958 -1.082 -8.408 102 HG3 ARG 44 HG3 ARG 44 6.001 -1.052 -10.170 103 HD2 ARG 44 HD2 ARG 44 5.593 1.480 -8.560 104 HD3 ARG 44 HD3 ARG 44 7.199 0.822 -8.834 105 HE ARG 44 HE ARG 44 5.375 2.005 -10.851 106 HH11 ARG 44 HH11 ARG 44 8.544 0.525 -10.324 107 HH12 ARG 44 HH12 ARG 44 9.107 1.052 -11.897 108 HH21 ARG 44 HH21 ARG 44 6.193 2.644 -12.742 109 HH22 ARG 44 HH22 ARG 44 7.885 2.371 -13.144 110 H LEU 45 H LEU 45 1.789 -1.858 -7.521 111 HA LEU 45 HA LEU 45 3.294 -2.979 -5.348 112 HB2 LEU 45 HB2 LEU 45 0.349 -2.434 -5.786 113 HB3 LEU 45 HB3 LEU 45 0.980 -3.063 -4.270 114 HG LEU 45 HG LEU 45 1.914 -0.428 -5.495 115 HD11 LEU 45 HD11 LEU 45 0.506 0.580 -3.693 116 HD12 LEU 45 HD12 LEU 45 -0.145 -1.036 -3.342 117 HD13 LEU 45 HD13 LEU 45 -0.444 -0.284 -4.921 118 HD21 LEU 45 HD21 LEU 45 2.316 -1.602 -2.721 119 HD22 LEU 45 HD22 LEU 45 2.768 0.029 -3.237 120 HD23 LEU 45 HD23 LEU 45 3.573 -1.360 -3.955 121 H ARG 46 H ARG 46 0.961 -4.549 -7.563 122 HA ARG 46 HA ARG 46 1.127 -7.123 -6.222 123 HB2 ARG 46 HB2 ARG 46 0.355 -6.332 -9.063 124 HB3 ARG 46 HB3 ARG 46 0.317 -8.002 -8.469 125 HG2 ARG 46 HG2 ARG 46 -1.225 -7.354 -6.650 126 HG3 ARG 46 HG3 ARG 46 -1.194 -5.682 -7.193 127 HD2 ARG 46 HD2 ARG 46 -2.115 -6.569 -9.437 128 HD3 ARG 46 HD3 ARG 46 -2.458 -8.071 -8.568 129 HE ARG 46 HE ARG 46 -3.479 -5.339 -7.797 130 HH11 ARG 46 HH11 ARG 46 -4.467 -8.676 -8.353 131 HH12 ARG 46 HH12 ARG 46 -6.096 -8.313 -7.798 132 HH21 ARG 46 HH21 ARG 46 -5.334 -5.001 -7.175 133 HH22 ARG 46 HH22 ARG 46 -6.609 -6.235 -7.095 134 H ASN 47 H ASN 47 3.199 -5.472 -8.562 135 HA ASN 47 HA ASN 47 5.067 -7.731 -8.790 136 HB2 ASN 47 HB2 ASN 47 5.088 -4.835 -9.698 137 HB3 ASN 47 HB3 ASN 47 6.538 -5.812 -9.733 138 HD21 ASN 47 HD21 ASN 47 3.617 -5.079 -11.415 139 HD22 ASN 47 HD22 ASN 47 3.837 -6.255 -12.692 140 H TYR 48 H TYR 48 5.138 -4.695 -6.760 141 HA TYR 48 HA TYR 48 7.497 -5.339 -5.422 142 HB2 TYR 48 HB2 TYR 48 5.047 -3.876 -4.396 143 HB3 TYR 48 HB3 TYR 48 6.465 -4.100 -3.494 144 HD1 TYR 48 HD1 TYR 48 8.534 -2.840 -3.795 145 HD2 TYR 48 HD2 TYR 48 4.933 -1.893 -5.931 146 HE1 TYR 48 HE1 TYR 48 9.376 -0.549 -4.217 147 HE2 TYR 48 HE2 TYR 48 5.716 0.424 -6.235 148 HH TYR 48 HH TYR 48 7.400 1.939 -5.876 149 H LEU 49 H LEU 49 4.311 -6.756 -4.834 150 HA LEU 49 HA LEU 49 5.181 -8.168 -2.497 151 HB2 LEU 49 HB2 LEU 49 2.816 -8.072 -4.206 152 HB3 LEU 49 HB3 LEU 49 3.235 -9.760 -3.948 153 HG LEU 49 HG LEU 49 2.888 -7.703 -1.744 154 HD11 LEU 49 HD11 LEU 49 0.747 -8.211 -2.862 155 HD12 LEU 49 HD12 LEU 49 0.790 -8.945 -1.246 156 HD13 LEU 49 HD13 LEU 49 1.048 -9.954 -2.683 157 HD21 LEU 49 HD21 LEU 49 4.373 -9.530 -1.090 158 HD22 LEU 49 HD22 LEU 49 3.151 -10.727 -1.555 159 HD23 LEU 49 HD23 LEU 49 2.860 -9.592 -0.208 160 H LYS 50 H LYS 50 5.303 -9.234 -5.932 161 HA LYS 50 HA LYS 50 6.450 -11.828 -5.220 162 HB2 LYS 50 HB2 LYS 50 6.666 -10.415 -7.899 163 HB3 LYS 50 HB3 LYS 50 6.883 -12.137 -7.518 164 HG2 LYS 50 HG2 LYS 50 4.457 -12.201 -6.811 165 HG3 LYS 50 HG3 LYS 50 4.287 -10.562 -7.456 166 HD2 LYS 50 HD2 LYS 50 5.062 -13.058 -9.006 167 HD3 LYS 50 HD3 LYS 50 3.515 -12.205 -9.091 168 HE2 LYS 50 HE2 LYS 50 4.672 -10.202 -10.019 169 HE3 LYS 50 HE3 LYS 50 6.217 -11.051 -9.918 170 HZ1 LYS 50 HZ1 LYS 50 5.423 -11.314 -12.119 171 HZ2 LYS 50 HZ2 LYS 50 3.912 -11.792 -11.645 172 HZ3 LYS 50 HZ3 LYS 50 5.201 -12.774 -11.422 173 H LYS 51 H LYS 51 7.828 -8.769 -6.404 174 HA LYS 51 HA LYS 51 10.612 -9.424 -6.392 175 HB2 LYS 51 HB2 LYS 51 9.017 -6.927 -5.959 176 HB3 LYS 51 HB3 LYS 51 10.767 -6.943 -5.770 177 HG2 LYS 51 HG2 LYS 51 9.674 -8.045 -8.337 178 HG3 LYS 51 HG3 LYS 51 9.582 -6.308 -8.051 179 HD2 LYS 51 HD2 LYS 51 12.022 -6.242 -7.539 180 HD3 LYS 51 HD3 LYS 51 12.131 -7.979 -7.918 181 HE2 LYS 51 HE2 LYS 51 11.303 -7.459 -10.231 182 HE3 LYS 51 HE3 LYS 51 11.256 -5.743 -9.792 183 HZ1 LYS 51 HZ1 LYS 51 13.651 -7.465 -9.954 184 HZ2 LYS 51 HZ2 LYS 51 13.301 -6.144 -10.880 185 HZ3 LYS 51 HZ3 LYS 51 13.681 -5.963 -9.283 186 H GLY 52 H GLY 52 8.462 -8.439 -3.689 187 HA2 GLY 52 HA2 GLY 52 10.867 -8.055 -2.046 188 HA3 GLY 52 HA3 GLY 52 9.305 -7.308 -1.839 189 H THR 53 H THR 53 8.448 -10.503 -2.136 190 HA THR 53 HA THR 53 9.043 -11.202 0.709 191 HB THR 53 HB THR 53 6.959 -12.365 0.761 192 HG1 THR 53 HG1 THR 53 6.428 -11.322 -1.852 193 HG21 THR 53 HG21 THR 53 5.368 -10.585 0.697 194 HG22 THR 53 HG22 THR 53 6.428 -9.630 -0.382 195 HG23 THR 53 HG23 THR 53 6.906 -9.959 1.284 196 H LYS 54 H LYS 54 9.193 -13.522 1.236 197 HA LYS 54 HA LYS 54 10.726 -14.956 -0.742 198 HB2 LYS 54 HB2 LYS 54 9.535 -16.014 1.852 199 HB3 LYS 54 HB3 LYS 54 10.781 -16.784 0.880 200 HG2 LYS 54 HG2 LYS 54 11.016 -14.280 2.566 201 HG3 LYS 54 HG3 LYS 54 11.893 -15.801 2.711 202 HD2 LYS 54 HD2 LYS 54 13.004 -15.258 0.477 203 HD3 LYS 54 HD3 LYS 54 12.212 -13.660 0.567 204 HE2 LYS 54 HE2 LYS 54 13.274 -13.323 2.816 205 HE3 LYS 54 HE3 LYS 54 14.190 -14.827 2.567 206 HZ1 LYS 54 HZ1 LYS 54 15.055 -13.728 0.469 207 HZ2 LYS 54 HZ2 LYS 54 14.326 -12.343 0.958 208 HZ3 LYS 54 HZ3 LYS 54 15.528 -12.988 1.873 209 H ASN 55 H ASN 55 7.350 -15.096 0.203 210 HA ASN 55 HA ASN 55 6.636 -16.468 -2.264 211 HB2 ASN 55 HB2 ASN 55 5.122 -17.948 -0.716 212 HB3 ASN 55 HB3 ASN 55 6.790 -18.462 -1.019 213 HD21 ASN 55 HD21 ASN 55 4.367 -18.164 1.197 214 HD22 ASN 55 HD22 ASN 55 5.367 -18.103 2.648 215 H SER 56 H SER 56 5.455 -14.867 -3.038 216 HA SER 56 HA SER 56 3.691 -13.161 -1.623 217 HB2 SER 56 HB2 SER 56 2.860 -12.611 -3.936 218 HB3 SER 56 HB3 SER 56 4.617 -12.509 -3.738 219 HG SER 56 HG SER 56 3.341 -13.879 -5.543 220 H ALA 57 H ALA 57 3.097 -16.422 -2.792 221 HA ALA 57 HA ALA 57 0.408 -16.278 -3.472 222 HB1 ALA 57 HB1 ALA 57 0.423 -18.727 -3.195 223 HB2 ALA 57 HB2 ALA 57 1.923 -18.622 -2.254 224 HB3 ALA 57 HB3 ALA 57 1.917 -18.166 -3.969 225 H GLN 58 H GLN 58 1.595 -16.189 -0.199 226 HA GLN 58 HA GLN 58 -0.838 -17.152 1.047 227 HB2 GLN 58 HB2 GLN 58 0.309 -16.536 3.115 228 HB3 GLN 58 HB3 GLN 58 1.378 -17.458 2.062 229 HG2 GLN 58 HG2 GLN 58 2.408 -15.246 1.300 230 HG3 GLN 58 HG3 GLN 58 1.432 -14.433 2.500 231 HE21 GLN 58 HE21 GLN 58 4.535 -15.310 2.033 232 HE22 GLN 58 HE22 GLN 58 4.933 -15.725 3.679 233 H PHE 59 H PHE 59 0.030 -14.129 -0.361 234 HA PHE 59 HA PHE 59 -1.425 -12.486 1.587 235 HB2 PHE 59 HB2 PHE 59 0.118 -11.824 -0.917 236 HB3 PHE 59 HB3 PHE 59 -0.785 -10.633 0.008 237 HD1 PHE 59 HD1 PHE 59 -0.176 -10.053 2.323 238 HD2 PHE 59 HD2 PHE 59 2.206 -12.816 0.044 239 HE1 PHE 59 HE1 PHE 59 1.617 -9.894 4.016 240 HE2 PHE 59 HE2 PHE 59 4.032 -12.611 1.701 241 HZ PHE 59 HZ PHE 59 3.741 -11.142 3.677 242 H GLU 60 H GLU 60 -3.230 -11.288 1.336 243 HA GLU 60 HA GLU 60 -5.185 -12.298 -0.706 244 HB2 GLU 60 HB2 GLU 60 -5.562 -13.536 1.228 245 HB3 GLU 60 HB3 GLU 60 -5.273 -12.174 2.315 246 HG2 GLU 60 HG2 GLU 60 -7.381 -11.199 1.883 247 HG3 GLU 60 HG3 GLU 60 -7.642 -12.173 0.441 248 H LYS 61 H LYS 61 -4.204 -9.542 1.326 249 HA LYS 61 HA LYS 61 -5.507 -7.794 -0.622 250 HB2 LYS 61 HB2 LYS 61 -6.947 -6.606 0.840 251 HB3 LYS 61 HB3 LYS 61 -7.262 -8.312 1.115 252 HG2 LYS 61 HG2 LYS 61 -5.549 -8.095 3.068 253 HG3 LYS 61 HG3 LYS 61 -5.768 -6.350 2.890 254 HD2 LYS 61 HD2 LYS 61 -8.093 -6.502 3.470 255 HD3 LYS 61 HD3 LYS 61 -8.082 -8.240 3.155 256 HE2 LYS 61 HE2 LYS 61 -6.261 -8.303 5.095 257 HE3 LYS 61 HE3 LYS 61 -6.954 -6.736 5.516 258 HZ1 LYS 61 HZ1 LYS 61 -7.986 -8.621 6.702 259 HZ2 LYS 61 HZ2 LYS 61 -8.482 -9.278 5.280 260 HZ3 LYS 61 HZ3 LYS 61 -9.096 -7.823 5.752 261 H MET 62 H MET 62 -5.254 -5.558 0.088 262 HA MET 62 HA MET 62 -2.882 -4.858 1.608 263 HB2 MET 62 HB2 MET 62 -1.654 -3.746 -0.148 264 HB3 MET 62 HB3 MET 62 -1.908 -5.433 -0.594 265 HG2 MET 62 HG2 MET 62 -3.721 -4.796 -2.121 266 HG3 MET 62 HG3 MET 62 -3.525 -3.097 -1.666 267 HE1 MET 62 HE1 MET 62 -3.399 -2.572 -4.309 268 HE2 MET 62 HE2 MET 62 -3.470 -4.306 -4.699 269 HE3 MET 62 HE3 MET 62 -2.186 -3.295 -5.387 270 H VAL 63 H VAL 63 -2.662 -2.544 1.931 271 HA VAL 63 HA VAL 63 -4.877 -0.844 1.003 272 HB VAL 63 HB VAL 63 -5.658 -1.749 3.160 273 HG11 VAL 63 HG11 VAL 63 -4.617 -1.601 5.120 274 HG12 VAL 63 HG12 VAL 63 -3.442 -0.339 4.593 275 HG13 VAL 63 HG13 VAL 63 -3.283 -2.015 4.062 276 HG21 VAL 63 HG21 VAL 63 -6.144 0.309 4.353 277 HG22 VAL 63 HG22 VAL 63 -6.347 0.556 2.614 278 HG23 VAL 63 HG23 VAL 63 -4.900 1.184 3.437 279 H ILE 64 H ILE 64 -4.329 1.183 0.648 280 HA ILE 64 HA ILE 64 -1.396 1.796 0.663 281 HB ILE 64 HB ILE 64 -3.612 2.456 -1.318 282 HG12 ILE 64 HG12 ILE 64 -1.272 0.608 -1.880 283 HG13 ILE 64 HG13 ILE 64 -2.753 -0.030 -1.182 284 HG21 ILE 64 HG21 ILE 64 -0.599 2.920 -1.555 285 HG22 ILE 64 HG22 ILE 64 -1.818 4.188 -1.277 286 HG23 ILE 64 HG23 ILE 64 -1.823 3.294 -2.784 287 HD11 ILE 64 HD11 ILE 64 -4.078 0.793 -3.074 288 HD12 ILE 64 HD12 ILE 64 -2.804 -0.338 -3.567 289 HD13 ILE 64 HD13 ILE 64 -2.595 1.398 -3.849 290 H LEU 65 H LEU 65 -0.803 3.610 1.692 291 HA LEU 65 HA LEU 65 -2.870 5.659 2.383 292 HB2 LEU 65 HB2 LEU 65 -0.447 4.816 4.014 293 HB3 LEU 65 HB3 LEU 65 -1.615 6.053 4.428 294 HG LEU 65 HG LEU 65 -1.973 3.055 4.441 295 HD11 LEU 65 HD11 LEU 65 -2.616 3.417 6.771 296 HD12 LEU 65 HD12 LEU 65 -2.583 5.180 6.549 297 HD13 LEU 65 HD13 LEU 65 -1.088 4.247 6.486 298 HD21 LEU 65 HD21 LEU 65 -4.205 5.103 4.696 299 HD22 LEU 65 HD22 LEU 65 -4.312 3.365 5.119 300 HD23 LEU 65 HD23 LEU 65 -4.055 3.839 3.457 301 H THR 66 H THR 66 -2.462 7.700 1.805 302 HA THR 66 HA THR 66 0.208 8.339 0.605 303 HB THR 66 HB THR 66 -0.890 9.617 -1.104 304 HG1 THR 66 HG1 THR 66 -2.671 10.380 -0.047 305 HG21 THR 66 HG21 THR 66 -0.681 7.178 -1.543 306 HG22 THR 66 HG22 THR 66 -2.039 7.941 -2.385 307 HG23 THR 66 HG23 THR 66 -2.344 6.954 -0.943 308 H GLU 67 H GLU 67 0.594 10.732 0.330 309 HA GLU 67 HA GLU 67 0.059 12.425 2.562 310 HB2 GLU 67 HB2 GLU 67 0.135 13.421 -0.281 311 HB3 GLU 67 HB3 GLU 67 0.561 14.290 1.175 312 HG2 GLU 67 HG2 GLU 67 2.612 13.007 1.405 313 HG3 GLU 67 HG3 GLU 67 2.166 11.940 0.077 314 H ASN 68 H ASN 68 -1.485 14.295 2.616 315 HA ASN 68 HA ASN 68 -3.555 15.220 2.608 316 HB2 ASN 68 HB2 ASN 68 -3.804 14.124 -0.202 317 HB3 ASN 68 HB3 ASN 68 -4.606 15.537 0.448 318 HD21 ASN 68 HD21 ASN 68 -2.375 14.934 -1.733 319 HD22 ASN 68 HD22 ASN 68 -1.086 16.072 -1.270 320 H LYS 69 H LYS 69 -3.314 12.693 3.756 321 HA LYS 69 HA LYS 69 -4.435 10.971 4.690 322 HB2 LYS 69 HB2 LYS 69 -6.673 13.017 4.582 323 HB3 LYS 69 HB3 LYS 69 -6.619 11.598 5.643 324 HG2 LYS 69 HG2 LYS 69 -4.475 12.403 6.614 325 HG3 LYS 69 HG3 LYS 69 -4.586 13.877 5.636 326 HD2 LYS 69 HD2 LYS 69 -6.632 14.552 6.772 327 HD3 LYS 69 HD3 LYS 69 -6.646 13.024 7.699 328 HE2 LYS 69 HE2 LYS 69 -4.405 13.571 8.603 329 HE3 LYS 69 HE3 LYS 69 -4.421 15.112 7.729 330 HZ1 LYS 69 HZ1 LYS 69 -5.098 15.255 10.119 331 HZ2 LYS 69 HZ2 LYS 69 -6.430 14.365 9.788 332 HZ3 LYS 69 HZ3 LYS 69 -6.237 15.866 9.119 333 H GLY 70 H GLY 70 -4.356 10.744 1.837 334 HA2 GLY 70 HA2 GLY 70 -6.708 9.262 1.013 335 HA3 GLY 70 HA3 GLY 70 -5.114 9.112 0.297 336 H TYR 71 H TYR 71 -7.247 7.236 1.204 337 HA TYR 71 HA TYR 71 -5.600 5.098 2.390 338 HB2 TYR 71 HB2 TYR 71 -6.600 6.108 4.361 339 HB3 TYR 71 HB3 TYR 71 -8.176 6.182 3.604 340 HD1 TYR 71 HD1 TYR 71 -9.341 3.896 3.007 341 HD2 TYR 71 HD2 TYR 71 -6.178 4.326 5.932 342 HE1 TYR 71 HE1 TYR 71 -10.071 1.813 4.121 343 HE2 TYR 71 HE2 TYR 71 -6.972 2.287 7.066 344 HH TYR 71 HH TYR 71 -8.576 0.645 7.158 345 H TYR 72 H TYR 72 -5.904 3.413 1.024 346 HA TYR 72 HA TYR 72 -8.572 2.957 -0.273 347 HB2 TYR 72 HB2 TYR 72 -5.925 2.798 -1.757 348 HB3 TYR 72 HB3 TYR 72 -7.539 2.682 -2.416 349 HD1 TYR 72 HD1 TYR 72 -4.925 4.956 -1.095 350 HD2 TYR 72 HD2 TYR 72 -8.796 4.708 -2.994 351 HE1 TYR 72 HE1 TYR 72 -4.762 7.354 -1.746 352 HE2 TYR 72 HE2 TYR 72 -8.604 7.099 -3.676 353 HH TYR 72 HH TYR 72 -7.263 8.934 -3.752 354 H THR 73 H THR 73 -9.169 0.874 0.256 355 HA THR 73 HA THR 73 -7.007 -1.164 0.667 356 HB THR 73 HB THR 73 -8.455 -0.844 2.590 357 HG1 THR 73 HG1 THR 73 -9.025 -3.140 2.686 358 HG21 THR 73 HG21 THR 73 -10.706 -2.095 0.971 359 HG22 THR 73 HG22 THR 73 -10.619 -0.362 1.354 360 HG23 THR 73 HG23 THR 73 -10.727 -1.538 2.662 361 H VAL 74 H VAL 74 -6.924 -3.047 -0.413 362 HA VAL 74 HA VAL 74 -8.642 -3.448 -2.822 363 HB VAL 74 HB VAL 74 -5.618 -3.041 -2.785 364 HG11 VAL 74 HG11 VAL 74 -6.053 -4.848 -4.327 365 HG12 VAL 74 HG12 VAL 74 -5.805 -3.388 -5.282 366 HG13 VAL 74 HG13 VAL 74 -7.451 -4.001 -5.012 367 HG21 VAL 74 HG21 VAL 74 -6.803 -0.908 -2.852 368 HG22 VAL 74 HG22 VAL 74 -7.846 -1.490 -4.168 369 HG23 VAL 74 HG23 VAL 74 -6.105 -1.241 -4.434 370 H TYR 75 H TYR 75 -9.223 -5.531 -2.870 371 HA TYR 75 HA TYR 75 -7.686 -7.590 -1.435 372 HB2 TYR 75 HB2 TYR 75 -10.258 -7.598 -3.025 373 HB3 TYR 75 HB3 TYR 75 -9.461 -9.087 -2.537 374 HD1 TYR 75 HD1 TYR 75 -8.920 -9.502 -0.083 375 HD2 TYR 75 HD2 TYR 75 -11.598 -6.374 -1.379 376 HE1 TYR 75 HE1 TYR 75 -9.930 -9.423 2.171 377 HE2 TYR 75 HE2 TYR 75 -12.594 -6.288 0.904 378 HH TYR 75 HH TYR 75 -12.504 -7.112 3.057 379 H LEU 76 H LEU 76 -6.409 -9.072 -2.240 380 HA LEU 76 HA LEU 76 -5.377 -8.797 -5.014 381 HB2 LEU 76 HB2 LEU 76 -4.326 -10.226 -2.535 382 HB3 LEU 76 HB3 LEU 76 -3.487 -10.156 -4.072 383 HG LEU 76 HG LEU 76 -4.194 -7.655 -2.463 384 HD11 LEU 76 HD11 LEU 76 -1.596 -9.220 -2.583 385 HD12 LEU 76 HD12 LEU 76 -2.673 -9.084 -1.175 386 HD13 LEU 76 HD13 LEU 76 -1.843 -7.645 -1.785 387 HD21 LEU 76 HD21 LEU 76 -2.296 -8.154 -4.789 388 HD22 LEU 76 HD22 LEU 76 -2.431 -6.631 -3.885 389 HD23 LEU 76 HD23 LEU 76 -3.799 -7.200 -4.843 390 H ASN 77 H ASN 77 -7.353 -10.916 -3.123 391 HA ASN 77 HA ASN 77 -7.142 -13.323 -4.669 392 HB2 ASN 77 HB2 ASN 77 -9.525 -12.158 -3.145 393 HB3 ASN 77 HB3 ASN 77 -9.411 -13.806 -3.741 394 HD21 ASN 77 HD21 ASN 77 -10.031 -13.887 -1.290 395 HD22 ASN 77 HD22 ASN 77 -8.660 -14.009 -0.190 396 H THR 78 H THR 78 -8.196 -10.263 -5.736 397 HA THR 78 HA THR 78 -9.984 -11.351 -7.818 398 HB THR 78 HB THR 78 -11.411 -9.329 -7.503 399 HG1 THR 78 HG1 THR 78 -11.188 -8.113 -5.663 400 HG21 THR 78 HG21 THR 78 -11.183 -10.995 -4.952 401 HG22 THR 78 HG22 THR 78 -12.070 -11.465 -6.422 402 HG23 THR 78 HG23 THR 78 -12.588 -10.054 -5.495 403 HA PRO 79 HA PRO 79 -7.745 -8.458 -10.512 404 HB2 PRO 79 HB2 PRO 79 -10.375 -8.131 -11.910 405 HB3 PRO 79 HB3 PRO 79 -8.794 -8.597 -12.590 406 HG2 PRO 79 HG2 PRO 79 -10.729 -10.465 -12.282 407 HG3 PRO 79 HG3 PRO 79 -9.027 -10.846 -11.822 408 HD2 PRO 79 HD2 PRO 79 -11.254 -9.932 -9.989 409 HD3 PRO 79 HD3 PRO 79 -10.173 -11.354 -9.854 410 H LEU 80 H LEU 80 -7.663 -6.116 -10.843 411 HA LEU 80 HA LEU 80 -9.269 -4.549 -9.021 412 HB2 LEU 80 HB2 LEU 80 -7.950 -2.770 -9.546 413 HB3 LEU 80 HB3 LEU 80 -6.845 -4.086 -9.844 414 HG LEU 80 HG LEU 80 -8.378 -2.531 -11.995 415 HD11 LEU 80 HD11 LEU 80 -5.502 -2.313 -11.072 416 HD12 LEU 80 HD12 LEU 80 -6.779 -1.108 -10.837 417 HD13 LEU 80 HD13 LEU 80 -6.208 -1.482 -12.473 418 HD21 LEU 80 HD21 LEU 80 -5.997 -4.400 -12.336 419 HD22 LEU 80 HD22 LEU 80 -6.872 -3.547 -13.609 420 HD23 LEU 80 HD23 LEU 80 -7.669 -4.847 -12.728 421 H ALA 81 H ALA 81 -11.220 -3.500 -9.324 422 HA ALA 81 HA ALA 81 -12.673 -3.507 -11.770 423 HB1 ALA 81 HB1 ALA 81 -12.781 -1.540 -9.442 424 HB2 ALA 81 HB2 ALA 81 -13.656 -3.089 -9.551 425 HB3 ALA 81 HB3 ALA 81 -14.031 -1.785 -10.683 426 H GLU 82 H GLU 82 -12.536 -2.298 -13.589 427 HA GLU 82 HA GLU 82 -10.116 -1.048 -14.179 428 HB2 GLU 82 HB2 GLU 82 -10.974 -0.464 -16.326 429 HB3 GLU 82 HB3 GLU 82 -11.466 -2.084 -15.891 430 HG2 GLU 82 HG2 GLU 82 -13.337 0.288 -15.477 431 HG3 GLU 82 HG3 GLU 82 -13.145 -0.449 -17.064 432 H ASP 83 H ASP 83 -12.820 0.704 -12.758 433 HA ASP 83 HA ASP 83 -12.107 3.312 -13.780 434 HB2 ASP 83 HB2 ASP 83 -13.751 2.267 -11.463 435 HB3 ASP 83 HB3 ASP 83 -13.409 3.981 -11.646 436 H ARG 84 H ARG 84 -10.696 1.301 -11.338 437 HA ARG 84 HA ARG 84 -9.179 3.255 -9.848 438 HB2 ARG 84 HB2 ARG 84 -8.693 0.337 -10.575 439 HB3 ARG 84 HB3 ARG 84 -7.644 1.253 -9.509 440 HG2 ARG 84 HG2 ARG 84 -9.408 1.582 -7.878 441 HG3 ARG 84 HG3 ARG 84 -10.616 0.835 -8.949 442 HD2 ARG 84 HD2 ARG 84 -9.476 -1.281 -8.892 443 HD3 ARG 84 HD3 ARG 84 -8.111 -0.596 -7.975 444 HE ARG 84 HE ARG 84 -10.370 -0.143 -6.387 445 HH11 ARG 84 HH11 ARG 84 -8.633 -2.935 -7.594 446 HH12 ARG 84 HH12 ARG 84 -9.294 -4.019 -6.412 447 HH21 ARG 84 HH21 ARG 84 -11.137 -1.572 -4.803 448 HH22 ARG 84 HH22 ARG 84 -10.567 -3.227 -4.807 449 H LYS 85 H LYS 85 -8.856 2.003 -13.098 450 HA LYS 85 HA LYS 85 -6.068 2.894 -13.499 451 HB2 LYS 85 HB2 LYS 85 -8.215 2.204 -15.516 452 HB3 LYS 85 HB3 LYS 85 -6.522 2.497 -15.876 453 HG2 LYS 85 HG2 LYS 85 -5.816 0.521 -14.679 454 HG3 LYS 85 HG3 LYS 85 -7.457 0.221 -14.076 455 HD2 LYS 85 HD2 LYS 85 -8.294 -0.160 -16.322 456 HD3 LYS 85 HD3 LYS 85 -6.723 0.232 -17.041 457 HE2 LYS 85 HE2 LYS 85 -7.141 -2.044 -15.058 458 HE3 LYS 85 HE3 LYS 85 -7.320 -2.253 -16.802 459 HZ1 LYS 85 HZ1 LYS 85 -5.080 -2.844 -16.008 460 HZ2 LYS 85 HZ2 LYS 85 -4.786 -1.287 -15.564 461 HZ3 LYS 85 HZ3 LYS 85 -5.035 -1.683 -17.128 462 H ASN 86 H ASN 86 -9.072 4.511 -13.312 463 HA ASN 86 HA ASN 86 -7.940 6.878 -14.757 464 HB2 ASN 86 HB2 ASN 86 -10.824 6.282 -13.925 465 HB3 ASN 86 HB3 ASN 86 -10.275 7.702 -14.801 466 HD21 ASN 86 HD21 ASN 86 -9.069 7.177 -16.982 467 HD22 ASN 86 HD22 ASN 86 -9.856 5.909 -17.915 468 H VAL 87 H VAL 87 -8.857 5.790 -11.506 469 HA VAL 87 HA VAL 87 -9.376 8.386 -10.449 470 HB VAL 87 HB VAL 87 -10.075 6.166 -9.500 471 HG11 VAL 87 HG11 VAL 87 -8.788 4.974 -7.975 472 HG12 VAL 87 HG12 VAL 87 -7.469 6.162 -7.973 473 HG13 VAL 87 HG13 VAL 87 -7.763 5.167 -9.411 474 HG21 VAL 87 HG21 VAL 87 -10.461 8.274 -8.345 475 HG22 VAL 87 HG22 VAL 87 -8.846 8.194 -7.598 476 HG23 VAL 87 HG23 VAL 87 -10.085 6.985 -7.195 477 H GLU 88 H GLU 88 -7.966 10.053 -10.299 478 HA GLU 88 HA GLU 88 -5.077 9.603 -9.961 479 HB2 GLU 88 HB2 GLU 88 -6.782 12.121 -9.884 480 HB3 GLU 88 HB3 GLU 88 -5.047 12.079 -9.528 481 HG2 GLU 88 HG2 GLU 88 -4.650 11.014 -11.778 482 HG3 GLU 88 HG3 GLU 88 -6.363 11.244 -12.148 483 H LEU 89 H LEU 89 -3.960 9.501 -8.131 484 HA LEU 89 HA LEU 89 -5.255 8.935 -5.631 485 HB2 LEU 89 HB2 LEU 89 -2.378 9.462 -6.482 486 HB3 LEU 89 HB3 LEU 89 -2.794 8.973 -4.855 487 HG LEU 89 HG LEU 89 -3.509 7.299 -7.299 488 HD11 LEU 89 HD11 LEU 89 -1.608 5.886 -6.716 489 HD12 LEU 89 HD12 LEU 89 -1.160 6.988 -5.388 490 HD13 LEU 89 HD13 LEU 89 -1.056 7.528 -7.072 491 HD21 LEU 89 HD21 LEU 89 -3.437 6.681 -4.310 492 HD22 LEU 89 HD22 LEU 89 -3.696 5.491 -5.594 493 HD23 LEU 89 HD23 LEU 89 -4.887 6.768 -5.333 494 H LEU 90 H LEU 90 -5.259 10.063 -3.669 495 HA LEU 90 HA LEU 90 -5.542 12.915 -3.769 496 HB2 LEU 90 HB2 LEU 90 -5.406 10.868 -1.543 497 HB3 LEU 90 HB3 LEU 90 -5.497 12.586 -1.179 498 HG LEU 90 HG LEU 90 -7.550 11.186 -2.942 499 HD11 LEU 90 HD11 LEU 90 -9.020 11.273 -0.938 500 HD12 LEU 90 HD12 LEU 90 -7.626 11.787 0.041 501 HD13 LEU 90 HD13 LEU 90 -7.647 10.186 -0.747 502 HD21 LEU 90 HD21 LEU 90 -8.941 13.162 -2.356 503 HD22 LEU 90 HD22 LEU 90 -7.511 13.613 -3.279 504 HD23 LEU 90 HD23 LEU 90 -7.545 13.879 -1.522 505 H GLY 91 H GLY 91 -2.710 10.944 -3.120 506 HA2 GLY 91 HA2 GLY 91 -0.966 13.280 -3.278 507 HA3 GLY 91 HA3 GLY 91 -1.076 12.561 -1.673 508 H LYS 92 H LYS 92 1.363 12.485 -2.402 509 HA LYS 92 HA LYS 92 2.218 10.282 -4.033 510 HB2 LYS 92 HB2 LYS 92 3.482 12.434 -3.157 511 HB3 LYS 92 HB3 LYS 92 3.813 11.441 -1.746 512 HG2 LYS 92 HG2 LYS 92 5.693 11.173 -3.099 513 HG3 LYS 92 HG3 LYS 92 4.774 9.700 -3.410 514 HD2 LYS 92 HD2 LYS 92 3.931 10.704 -5.530 515 HD3 LYS 92 HD3 LYS 92 4.808 12.206 -5.164 516 HE2 LYS 92 HE2 LYS 92 6.957 10.975 -5.183 517 HE3 LYS 92 HE3 LYS 92 6.095 9.464 -5.519 518 HZ1 LYS 92 HZ1 LYS 92 6.989 10.393 -7.527 519 HZ2 LYS 92 HZ2 LYS 92 6.170 11.813 -7.342 520 HZ3 LYS 92 HZ3 LYS 92 5.360 10.417 -7.625 521 H MET 93 H MET 93 2.936 8.201 -3.438 522 HA MET 93 HA MET 93 1.597 6.823 -1.336 523 HB2 MET 93 HB2 MET 93 2.483 5.808 -3.412 524 HB3 MET 93 HB3 MET 93 4.137 6.026 -2.836 525 HG2 MET 93 HG2 MET 93 3.726 4.551 -0.913 526 HG3 MET 93 HG3 MET 93 2.015 4.461 -1.321 527 HE1 MET 93 HE1 MET 93 5.384 1.973 -3.339 528 HE2 MET 93 HE2 MET 93 5.530 2.816 -1.788 529 HE3 MET 93 HE3 MET 93 5.519 3.744 -3.312 530 H TYR 94 H TYR 94 1.909 7.116 0.835 531 HA TYR 94 HA TYR 94 4.656 7.670 1.845 532 HB2 TYR 94 HB2 TYR 94 2.848 8.963 2.856 533 HB3 TYR 94 HB3 TYR 94 1.979 7.491 3.256 534 HD1 TYR 94 HD1 TYR 94 5.708 7.872 3.755 535 HD2 TYR 94 HD2 TYR 94 1.799 7.883 5.592 536 HE1 TYR 94 HE1 TYR 94 6.755 7.854 5.989 537 HE2 TYR 94 HE2 TYR 94 2.869 7.866 7.832 538 HH TYR 94 HH TYR 94 6.412 7.877 8.272 539 H LYS 95 H LYS 95 2.021 5.227 2.357 540 HA LYS 95 HA LYS 95 4.095 3.094 2.406 541 HB2 LYS 95 HB2 LYS 95 2.254 3.712 4.758 542 HB3 LYS 95 HB3 LYS 95 3.081 2.157 4.537 543 HG2 LYS 95 HG2 LYS 95 5.249 3.380 4.458 544 HG3 LYS 95 HG3 LYS 95 4.392 4.872 4.907 545 HD2 LYS 95 HD2 LYS 95 3.606 3.722 6.973 546 HD3 LYS 95 HD3 LYS 95 4.657 2.341 6.565 547 HE2 LYS 95 HE2 LYS 95 6.634 3.783 6.654 548 HE3 LYS 95 HE3 LYS 95 5.619 5.224 6.803 549 HZ1 LYS 95 HZ1 LYS 95 6.401 4.658 8.958 550 HZ2 LYS 95 HZ2 LYS 95 5.930 3.095 8.851 551 HZ3 LYS 95 HZ3 LYS 95 4.806 4.284 8.948 552 H THR 96 H THR 96 3.353 1.020 2.162 553 HA THR 96 HA THR 96 0.431 0.618 1.738 554 HB THR 96 HB THR 96 2.527 -0.886 0.136 555 HG1 THR 96 HG1 THR 96 2.336 1.273 -0.356 556 HG21 THR 96 HG21 THR 96 0.536 -1.544 -1.223 557 HG22 THR 96 HG22 THR 96 -0.520 -0.714 -0.070 558 HG23 THR 96 HG23 THR 96 0.402 -2.147 0.423 559 H TYR 97 H TYR 97 -0.340 -1.120 2.580 560 HA TYR 97 HA TYR 97 1.370 -2.773 4.416 561 HB2 TYR 97 HB2 TYR 97 -1.392 -1.620 4.893 562 HB3 TYR 97 HB3 TYR 97 -0.483 -2.573 6.017 563 HD1 TYR 97 HD1 TYR 97 -0.605 0.754 4.266 564 HD2 TYR 97 HD2 TYR 97 1.107 -1.552 7.472 565 HE1 TYR 97 HE1 TYR 97 0.170 2.826 5.352 566 HE2 TYR 97 HE2 TYR 97 1.836 0.526 8.565 567 HH TYR 97 HH TYR 97 1.026 3.790 7.329 568 H PHE 98 H PHE 98 1.029 -4.920 4.317 569 HA PHE 98 HA PHE 98 -1.084 -5.994 2.464 570 HB2 PHE 98 HB2 PHE 98 1.864 -6.600 2.764 571 HB3 PHE 98 HB3 PHE 98 0.768 -7.614 1.848 572 HD1 PHE 98 HD1 PHE 98 2.557 -4.364 1.892 573 HD2 PHE 98 HD2 PHE 98 -0.036 -6.992 -0.328 574 HE1 PHE 98 HE1 PHE 98 3.077 -3.127 -0.207 575 HE2 PHE 98 HE2 PHE 98 0.517 -5.770 -2.424 576 HZ PHE 98 HZ PHE 98 2.099 -3.868 -2.363 577 H PHE 99 H PHE 99 -1.952 -7.985 2.911 578 HA PHE 99 HA PHE 99 -1.354 -9.136 5.606 579 HB2 PHE 99 HB2 PHE 99 -4.136 -8.800 4.506 580 HB3 PHE 99 HB3 PHE 99 -3.650 -9.144 6.138 581 HD1 PHE 99 HD1 PHE 99 -3.541 -6.434 3.542 582 HD2 PHE 99 HD2 PHE 99 -3.586 -7.384 7.728 583 HE1 PHE 99 HE1 PHE 99 -3.717 -4.057 4.063 584 HE2 PHE 99 HE2 PHE 99 -3.795 -4.972 8.265 585 HZ PHE 99 HZ PHE 99 -3.758 -3.285 6.443 586 H LYS 100 H LYS 100 -1.432 -11.290 5.803 587 HA LYS 100 HA LYS 100 -1.636 -13.028 3.487 588 HB2 LYS 100 HB2 LYS 100 -1.518 -13.675 6.438 589 HB3 LYS 100 HB3 LYS 100 -1.407 -14.864 5.119 590 HG2 LYS 100 HG2 LYS 100 0.686 -14.403 4.600 591 HG3 LYS 100 HG3 LYS 100 0.558 -12.674 4.804 592 HD2 LYS 100 HD2 LYS 100 0.656 -13.019 7.301 593 HD3 LYS 100 HD3 LYS 100 0.865 -14.760 7.018 594 HE2 LYS 100 HE2 LYS 100 2.931 -14.198 5.661 595 HE3 LYS 100 HE3 LYS 100 2.738 -12.510 6.151 596 HZ1 LYS 100 HZ1 LYS 100 3.113 -14.804 8.015 597 HZ2 LYS 100 HZ2 LYS 100 2.999 -13.243 8.472 598 HZ3 LYS 100 HZ3 LYS 100 4.298 -13.767 7.599 599 H LYS 101 H LYS 101 -3.081 -14.905 3.341 600 HA LYS 101 HA LYS 101 -5.872 -14.442 3.314 601 HB2 LYS 101 HB2 LYS 101 -4.253 -17.010 3.480 602 HB3 LYS 101 HB3 LYS 101 -6.004 -16.979 3.236 603 HG2 LYS 101 HG2 LYS 101 -5.797 -15.825 1.128 604 HG3 LYS 101 HG3 LYS 101 -4.078 -15.539 1.365 605 HD2 LYS 101 HD2 LYS 101 -3.658 -17.997 1.278 606 HD3 LYS 101 HD3 LYS 101 -5.388 -18.256 0.950 607 HE2 LYS 101 HE2 LYS 101 -5.214 -16.876 -1.100 608 HE3 LYS 101 HE3 LYS 101 -3.506 -16.551 -0.754 609 HZ1 LYS 101 HZ1 LYS 101 -4.644 -19.235 -1.335 610 HZ2 LYS 101 HZ2 LYS 101 -3.054 -18.919 -0.998 611 HZ3 LYS 101 HZ3 LYS 101 -3.754 -18.320 -2.360 612 H GLY 102 H GLY 102 -7.127 -13.894 4.932 613 HA2 GLY 102 HA2 GLY 102 -8.361 -14.335 6.914 614 HA3 GLY 102 HA3 GLY 102 -7.131 -15.471 7.450 615 H GLU 103 H GLU 103 -5.438 -12.698 6.558 616 HA GLU 103 HA GLU 103 -5.158 -11.912 9.405 617 HB2 GLU 103 HB2 GLU 103 -3.207 -12.631 8.011 618 HB3 GLU 103 HB3 GLU 103 -3.496 -11.227 6.971 619 HG2 GLU 103 HG2 GLU 103 -2.920 -9.681 8.659 620 HG3 GLU 103 HG3 GLU 103 -2.859 -10.945 9.899 621 H SER 104 H SER 104 -5.441 -9.886 10.177 622 HA SER 104 HA SER 104 -6.070 -7.611 8.366 623 HB2 SER 104 HB2 SER 104 -7.799 -8.573 10.640 624 HB3 SER 104 HB3 SER 104 -7.874 -6.937 9.958 625 HG SER 104 HG SER 104 -9.382 -8.313 9.035 626 H LYS 105 H LYS 105 -3.689 -8.468 9.938 627 HA LYS 105 HA LYS 105 -3.106 -5.650 10.582 628 HB2 LYS 105 HB2 LYS 105 -3.486 -6.586 12.807 629 HB3 LYS 105 HB3 LYS 105 -2.328 -7.893 12.479 630 HG2 LYS 105 HG2 LYS 105 -0.481 -6.359 12.403 631 HG3 LYS 105 HG3 LYS 105 -1.534 -4.952 12.381 632 HD2 LYS 105 HD2 LYS 105 -0.632 -5.151 14.619 633 HD3 LYS 105 HD3 LYS 105 -2.349 -5.582 14.695 634 HE2 LYS 105 HE2 LYS 105 -1.786 -7.950 14.556 635 HE3 LYS 105 HE3 LYS 105 -0.058 -7.559 14.472 636 HZ1 LYS 105 HZ1 LYS 105 -1.755 -6.700 16.744 637 HZ2 LYS 105 HZ2 LYS 105 -0.124 -6.774 16.706 638 HZ3 LYS 105 HZ3 LYS 105 -0.975 -8.159 16.748 639 H SER 106 H SER 106 -1.593 -5.137 9.179 640 HA SER 106 HA SER 106 -0.745 -7.023 7.305 641 HB2 SER 106 HB2 SER 106 0.538 -5.218 6.303 642 HB3 SER 106 HB3 SER 106 -1.034 -4.628 6.861 643 HG SER 106 HG SER 106 1.507 -4.379 8.067 644 H SER 107 H SER 107 0.612 -8.781 7.783 645 HA SER 107 HA SER 107 3.042 -8.502 9.345 646 HB2 SER 107 HB2 SER 107 1.827 -10.610 9.060 647 HB3 SER 107 HB3 SER 107 2.198 -10.611 7.331 648 HG SER 107 HG SER 107 4.170 -10.599 9.407 649 H TYR 108 H TYR 108 2.370 -7.609 6.087 650 HA TYR 108 HA TYR 108 5.287 -7.154 5.600 651 HB2 TYR 108 HB2 TYR 108 4.557 -9.067 4.336 652 HB3 TYR 108 HB3 TYR 108 3.167 -8.192 3.721 653 HD1 TYR 108 HD1 TYR 108 6.918 -7.812 3.808 654 HD2 TYR 108 HD2 TYR 108 3.318 -7.625 1.470 655 HE1 TYR 108 HE1 TYR 108 8.262 -7.245 1.760 656 HE2 TYR 108 HE2 TYR 108 4.633 -7.020 -0.525 657 HH TYR 108 HH TYR 108 6.745 -6.802 -1.443 658 H VAL 109 H VAL 109 5.855 -5.260 4.763 659 HA VAL 109 HA VAL 109 3.854 -3.213 3.959 660 HB VAL 109 HB VAL 109 5.215 -1.571 5.453 661 HG11 VAL 109 HG11 VAL 109 3.322 -3.506 6.787 662 HG12 VAL 109 HG12 VAL 109 2.897 -2.034 5.855 663 HG13 VAL 109 HG13 VAL 109 3.807 -1.892 7.378 664 HG21 VAL 109 HG21 VAL 109 6.838 -3.440 6.096 665 HG22 VAL 109 HG22 VAL 109 5.594 -4.037 7.187 666 HG23 VAL 109 HG23 VAL 109 6.234 -2.386 7.409 667 H ILE 110 H ILE 110 4.701 -1.409 2.904 668 HA ILE 110 HA ILE 110 7.543 -1.461 2.028 669 HB ILE 110 HB ILE 110 5.253 -1.296 0.076 670 HG12 ILE 110 HG12 ILE 110 6.701 -3.827 0.924 671 HG13 ILE 110 HG13 ILE 110 4.977 -3.522 0.898 672 HG21 ILE 110 HG21 ILE 110 8.230 -1.829 -0.277 673 HG22 ILE 110 HG22 ILE 110 7.397 -0.298 -0.630 674 HG23 ILE 110 HG23 ILE 110 7.062 -1.711 -1.604 675 HD11 ILE 110 HD11 ILE 110 5.349 -4.918 -0.916 676 HD12 ILE 110 HD12 ILE 110 6.843 -4.093 -1.372 677 HD13 ILE 110 HD13 ILE 110 5.239 -3.320 -1.658 678 H ASN 111 H ASN 111 8.304 0.624 1.620 679 HA ASN 111 HA ASN 111 6.372 2.802 2.327 680 HB2 ASN 111 HB2 ASN 111 9.318 2.582 3.005 681 HB3 ASN 111 HB3 ASN 111 8.217 3.849 3.524 682 HD21 ASN 111 HD21 ASN 111 9.774 2.291 5.330 683 HD22 ASN 111 HD22 ASN 111 8.600 1.404 6.327 684 H GLY 112 H GLY 112 6.705 4.892 1.469 685 HA2 GLY 112 HA2 GLY 112 8.277 5.113 -1.066 686 HA3 GLY 112 HA3 GLY 112 6.526 5.314 -1.090 687 HA PRO 113 HA PRO 113 8.976 9.200 -0.107 688 HB2 PRO 113 HB2 PRO 113 8.823 10.637 -2.422 689 HB3 PRO 113 HB3 PRO 113 9.864 9.202 -2.253 690 HG2 PRO 113 HG2 PRO 113 7.065 9.311 -3.403 691 HG3 PRO 113 HG3 PRO 113 8.516 8.628 -4.178 692 HD2 PRO 113 HD2 PRO 113 6.719 7.107 -2.789 693 HD3 PRO 113 HD3 PRO 113 8.465 6.737 -2.766 694 H GLY 114 H GLY 114 6.200 8.702 0.658 695 HA2 GLY 114 HA2 GLY 114 4.794 11.275 0.273 696 HA3 GLY 114 HA3 GLY 114 4.208 9.865 1.136 697 H LYS 115 H LYS 115 6.795 9.824 2.813 698 HA LYS 115 HA LYS 115 7.510 10.470 4.826 699 HB2 LYS 115 HB2 LYS 115 8.305 12.282 3.390 700 HB3 LYS 115 HB3 LYS 115 6.908 13.256 3.776 701 HG2 LYS 115 HG2 LYS 115 8.664 12.255 6.027 702 HG3 LYS 115 HG3 LYS 115 9.274 13.529 4.984 703 HD2 LYS 115 HD2 LYS 115 6.696 13.724 6.595 704 HD3 LYS 115 HD3 LYS 115 8.257 14.413 7.024 705 HE2 LYS 115 HE2 LYS 115 8.204 15.753 4.884 706 HE3 LYS 115 HE3 LYS 115 6.567 15.146 4.592 707 HZ1 LYS 115 HZ1 LYS 115 6.364 17.239 5.686 708 HZ2 LYS 115 HZ2 LYS 115 7.462 16.807 6.865 709 HZ3 LYS 115 HZ3 LYS 115 5.999 16.105 6.829 710 H THR 116 H THR 116 4.224 11.567 4.252 711 HA THR 116 HA THR 116 3.384 10.935 6.964 712 HB THR 116 HB THR 116 4.283 13.168 7.384 713 HG1 THR 116 HG1 THR 116 2.565 13.307 8.547 714 HG21 THR 116 HG21 THR 116 2.466 14.151 5.135 715 HG22 THR 116 HG22 THR 116 4.244 14.162 5.117 716 HG23 THR 116 HG23 THR 116 3.358 15.178 6.265 717 H ASN 117 H ASN 117 0.986 11.185 7.145 718 HA ASN 117 HA ASN 117 -0.425 11.158 4.529 719 HB2 ASN 117 HB2 ASN 117 -1.333 10.555 7.379 720 HB3 ASN 117 HB3 ASN 117 -2.331 10.431 5.933 721 HD21 ASN 117 HD21 ASN 117 -1.083 9.091 4.087 722 HD22 ASN 117 HD22 ASN 117 -0.376 7.588 4.688 723 H GLU 118 H GLU 118 0.398 13.388 7.031 724 HA GLU 118 HA GLU 118 -2.148 14.813 7.043 725 HB2 GLU 118 HB2 GLU 118 0.447 15.236 8.559 726 HB3 GLU 118 HB3 GLU 118 -1.036 16.171 8.804 727 HG2 GLU 118 HG2 GLU 118 -2.277 14.077 9.323 728 HG3 GLU 118 HG3 GLU 118 -0.780 13.152 9.155 729 H TYR 119 H TYR 119 -2.103 15.368 4.784 730 HA TYR 119 HA TYR 119 -1.931 16.860 3.102 731 HB2 TYR 119 HB2 TYR 119 -3.552 17.651 4.845 732 HB3 TYR 119 HB3 TYR 119 -2.377 18.873 5.295 733 HD1 TYR 119 HD1 TYR 119 -4.412 17.526 2.440 734 HD2 TYR 119 HD2 TYR 119 -2.320 20.935 4.042 735 HE1 TYR 119 HE1 TYR 119 -5.312 18.937 0.604 736 HE2 TYR 119 HE2 TYR 119 -3.214 22.348 2.193 737 HH TYR 119 HH TYR 119 -5.178 20.953 -0.438 738 H ALA 120 H ALA 120 0.520 16.205 3.220 739 HA ALA 120 HA ALA 120 2.468 18.293 3.465 740 HB1 ALA 120 HB1 ALA 120 3.037 15.921 3.598 741 HB2 ALA 120 HB2 ALA 120 3.925 16.697 2.282 742 HB3 ALA 120 HB3 ALA 120 2.523 15.671 1.912 743 H TYR 121 H TYR 121 0.901 19.825 2.379 744 HA TYR 121 HA TYR 121 0.768 20.173 -0.461 745 HB2 TYR 121 HB2 TYR 121 -0.653 21.297 1.253 746 HB3 TYR 121 HB3 TYR 121 0.744 22.180 1.829 747 HD1 TYR 121 HD1 TYR 121 -1.412 21.644 -1.175 748 HD2 TYR 121 HD2 TYR 121 1.376 24.244 0.838 749 HE1 TYR 121 HE1 TYR 121 -1.970 23.478 -2.772 750 HE2 TYR 121 HE2 TYR 121 0.819 26.075 -0.746 751 HH TYR 121 HH TYR 121 -0.522 26.742 -2.440 752 H1 ACE 6 H1 ACE 6 17.660 4.043 -9.453 753 H2 ACE 6 H2 ACE 6 16.812 3.411 -10.873 754 H3 ACE 6 H3 ACE 6 16.598 2.626 -9.297 755 H THR 7 H THR 7 14.316 3.179 -10.380 756 HA THR 7 HA THR 7 13.292 5.575 -8.924 757 HB THR 7 HB THR 7 13.656 5.995 -11.381 758 HG1 THR 7 HG1 THR 7 12.337 7.385 -10.560 759 HG21 THR 7 HG21 THR 7 11.224 4.203 -11.775 760 HG22 THR 7 HG22 THR 7 12.882 3.827 -12.300 761 HG23 THR 7 HG23 THR 7 12.029 5.208 -12.997 762 H THR 8 H THR 8 13.309 2.629 -8.515 763 HA THR 8 HA THR 8 10.585 2.277 -7.488 764 HB THR 8 HB THR 8 10.585 1.639 -9.932 765 HG1 THR 8 HG1 THR 8 9.832 -0.272 -7.975 766 HG21 THR 8 HG21 THR 8 12.704 0.368 -9.966 767 HG22 THR 8 HG22 THR 8 11.938 -0.889 -8.979 768 HG23 THR 8 HG23 THR 8 11.312 -0.519 -10.602 769 HA PRO 9 HA PRO 9 13.149 -1.343 -5.944 770 HB2 PRO 9 HB2 PRO 9 15.769 -1.243 -5.458 771 HB3 PRO 9 HB3 PRO 9 15.041 -1.482 -7.085 772 HG2 PRO 9 HG2 PRO 9 16.012 1.141 -5.886 773 HG3 PRO 9 HG3 PRO 9 16.498 0.418 -7.458 774 HD2 PRO 9 HD2 PRO 9 14.532 2.258 -7.224 775 HD3 PRO 9 HD3 PRO 9 14.429 0.936 -8.429 776 H ASP 10 H ASP 10 11.768 -0.694 -4.435 777 HA ASP 10 HA ASP 10 13.042 -0.668 -1.768 778 HB2 ASP 10 HB2 ASP 10 10.620 1.054 -2.493 779 HB3 ASP 10 HB3 ASP 10 10.986 0.532 -0.848 780 HN2 TYS 11 HN2 TYS 11 12.872 -2.896 -2.354 781 HA TYS 11 HA TYS 11 10.192 -4.013 -2.848 782 HB2 TYS 11 HB2 TYS 11 12.926 -5.035 -3.665 783 HB3 TYS 11 HB3 TYS 11 11.513 -6.077 -3.609 784 HD1 TYS 11 HD1 TYS 11 9.282 -4.948 -4.547 785 HD2 TYS 11 HD2 TYS 11 13.243 -3.789 -5.744 786 HE1 TYS 11 HE1 TYS 11 8.381 -3.949 -6.494 787 HE2 TYS 11 HE2 TYS 11 12.310 -2.851 -7.802 788 H GLY 12 H GLY 12 10.042 -3.329 -1.015 789 HA2 GLY 12 HA2 GLY 12 8.798 -3.725 0.787 790 HA3 GLY 12 HA3 GLY 12 8.792 -5.388 0.258 791 H HIS 13 H HIS 13 8.464 -4.764 2.969 792 HA HIS 13 HA HIS 13 10.535 -6.579 3.950 793 HB2 HIS 13 HB2 HIS 13 10.996 -5.291 5.965 794 HB3 HIS 13 HB3 HIS 13 11.652 -4.505 4.528 795 HD1 HIS 13 HD1 HIS 13 10.005 -2.435 3.503 796 HD2 HIS 13 HD2 HIS 13 9.227 -3.808 7.430 797 HE1 HIS 13 HE1 HIS 13 8.379 -0.762 4.573 798 HE2 HIS 13 HE2 HIS 13 8.262 -1.350 7.063 799 HN2 TYS 14 HN2 TYS 14 9.949 -7.684 5.815 800 HA TYS 14 HA TYS 14 7.092 -7.397 6.608 801 HB2 TYS 14 HB2 TYS 14 9.112 -9.588 7.219 802 HB3 TYS 14 HB3 TYS 14 7.508 -9.489 7.902 803 HD1 TYS 14 HD1 TYS 14 9.059 -9.494 4.342 804 HD2 TYS 14 HD2 TYS 14 5.749 -10.679 6.897 805 HE1 TYS 14 HE1 TYS 14 8.338 -11.005 2.702 806 HE2 TYS 14 HE2 TYS 14 5.045 -12.237 5.177 807 H ASP 15 H ASP 15 6.435 -7.084 8.647 808 HA ASP 15 HA ASP 15 8.360 -6.065 10.614 809 HB2 ASP 15 HB2 ASP 15 7.794 -4.159 8.907 810 HB3 ASP 15 HB3 ASP 15 6.247 -4.098 9.668 811 H ASP 16 H ASP 16 7.181 -5.287 12.580 812 HA ASP 16 HA ASP 16 4.668 -6.836 13.069 813 HB2 ASP 16 HB2 ASP 16 7.134 -6.889 14.817 814 HB3 ASP 16 HB3 ASP 16 5.585 -7.641 15.190 815 H LYS 17 H LYS 17 6.414 -3.875 13.625 816 HA LYS 17 HA LYS 17 4.334 -3.044 15.612 817 HB2 LYS 17 HB2 LYS 17 5.766 -2.295 17.056 818 HB3 LYS 17 HB3 LYS 17 6.892 -3.397 16.306 819 HG2 LYS 17 HG2 LYS 17 6.670 -0.388 15.879 820 HG3 LYS 17 HG3 LYS 17 7.886 -1.239 16.803 821 HD2 LYS 17 HD2 LYS 17 7.584 -1.339 13.784 822 HD3 LYS 17 HD3 LYS 17 8.779 -0.437 14.695 823 HE2 LYS 17 HE2 LYS 17 9.803 -2.482 15.515 824 HE3 LYS 17 HE3 LYS 17 8.534 -3.471 14.776 825 HZ1 LYS 17 HZ1 LYS 17 10.635 -3.247 13.432 826 HZ2 LYS 17 HZ2 LYS 17 10.264 -1.672 13.185 827 HZ3 LYS 17 HZ3 LYS 17 9.257 -2.826 12.615 828 H ASP 18 H ASP 18 5.812 -2.204 12.602 829 HA ASP 18 HA ASP 18 4.545 0.473 12.684 830 HB2 ASP 18 HB2 ASP 18 6.932 -0.053 11.841 831 HB3 ASP 18 HB3 ASP 18 6.150 -0.711 10.401 832 H THR 19 H THR 19 3.386 -2.473 12.090 833 HA THR 19 HA THR 19 1.979 -2.518 9.671 834 HB THR 19 HB THR 19 2.146 -4.495 11.065 835 HG1 THR 19 HG1 THR 19 0.408 -4.485 9.814 836 HG21 THR 19 HG21 THR 19 0.317 -3.282 13.121 837 HG22 THR 19 HG22 THR 19 2.083 -3.350 13.331 838 HG23 THR 19 HG23 THR 19 1.178 -4.841 13.148 839 H LEU 20 H LEU 20 -0.352 -2.402 9.249 840 HA LEU 20 HA LEU 20 -1.837 -0.385 10.839 841 HB2 LEU 20 HB2 LEU 20 -1.647 0.296 8.456 842 HB3 LEU 20 HB3 LEU 20 -2.210 -1.307 7.962 843 HG LEU 20 HG LEU 20 -4.361 -0.845 9.153 844 HD11 LEU 20 HD11 LEU 20 -3.683 0.903 10.751 845 HD12 LEU 20 HD12 LEU 20 -4.930 1.525 9.669 846 HD13 LEU 20 HD13 LEU 20 -3.230 1.979 9.408 847 HD21 LEU 20 HD21 LEU 20 -3.501 1.130 6.991 848 HD22 LEU 20 HD22 LEU 20 -5.186 0.663 7.374 849 HD23 LEU 20 HD23 LEU 20 -4.037 -0.542 6.789 850 H ASP 21 H ASP 21 -3.087 -1.370 12.215 851 HA ASP 21 HA ASP 21 -3.910 -4.166 11.986 852 HB2 ASP 21 HB2 ASP 21 -4.334 -3.970 14.356 853 HB3 ASP 21 HB3 ASP 21 -2.709 -3.448 13.940 854 H LEU 22 H LEU 22 -5.479 -4.134 10.497 855 HA LEU 22 HA LEU 22 -7.724 -2.340 10.293 856 HB2 LEU 22 HB2 LEU 22 -6.690 -4.820 8.981 857 HB3 LEU 22 HB3 LEU 22 -8.436 -4.708 9.017 858 HG LEU 22 HG LEU 22 -8.347 -2.604 7.758 859 HD11 LEU 22 HD11 LEU 22 -5.335 -2.991 8.046 860 HD12 LEU 22 HD12 LEU 22 -6.320 -1.604 8.567 861 HD13 LEU 22 HD13 LEU 22 -6.092 -1.914 6.840 862 HD21 LEU 22 HD21 LEU 22 -6.471 -4.724 6.614 863 HD22 LEU 22 HD22 LEU 22 -7.374 -3.514 5.681 864 HD23 LEU 22 HD23 LEU 22 -8.254 -4.790 6.541 865 H ASN 23 H ASN 23 -7.378 -5.613 11.479 866 HA ASN 23 HA ASN 23 -8.899 -7.206 12.079 867 HB2 ASN 23 HB2 ASN 23 -8.323 -5.361 14.377 868 HB3 ASN 23 HB3 ASN 23 -9.016 -6.965 14.587 869 HD21 ASN 23 HD21 ASN 23 -6.144 -5.399 14.671 870 HD22 ASN 23 HD22 ASN 23 -5.137 -6.846 14.448 871 H THR 24 H THR 24 -10.785 -4.612 11.411 872 HA THR 24 HA THR 24 -13.183 -6.190 12.172 873 HB THR 24 HB THR 24 -12.949 -4.478 13.780 874 HG1 THR 24 HG1 THR 24 -14.974 -3.369 12.237 875 HG21 THR 24 HG21 THR 24 -11.702 -2.724 12.717 876 HG22 THR 24 HG22 THR 24 -12.982 -2.451 11.525 877 HG23 THR 24 HG23 THR 24 -13.251 -2.068 13.239 878 HA PRO 25 HA PRO 25 -14.449 -4.555 7.979 879 HB2 PRO 25 HB2 PRO 25 -12.626 -3.834 6.115 880 HB3 PRO 25 HB3 PRO 25 -13.256 -2.672 7.320 881 HG2 PRO 25 HG2 PRO 25 -10.613 -4.124 7.338 882 HG3 PRO 25 HG3 PRO 25 -10.970 -2.434 7.804 883 HD2 PRO 25 HD2 PRO 25 -10.719 -4.574 9.544 884 HD3 PRO 25 HD3 PRO 25 -11.550 -3.033 9.925 885 H VAL 26 H VAL 26 -14.998 -6.443 6.930 886 HA VAL 26 HA VAL 26 -12.946 -8.111 5.702 887 HB VAL 26 HB VAL 26 -12.844 -8.984 7.962 888 HG11 VAL 26 HG11 VAL 26 -14.642 -10.185 9.035 889 HG12 VAL 26 HG12 VAL 26 -15.750 -9.823 7.701 890 HG13 VAL 26 HG13 VAL 26 -15.150 -8.516 8.748 891 HG21 VAL 26 HG21 VAL 26 -12.462 -10.493 6.037 892 HG22 VAL 26 HG22 VAL 26 -14.165 -11.008 6.120 893 HG23 VAL 26 HG23 VAL 26 -13.071 -11.328 7.473 894 H ASP 27 H ASP 27 -13.608 -9.037 3.928 895 HA ASP 27 HA ASP 27 -16.512 -9.509 3.375 896 HB2 ASP 27 HB2 ASP 27 -14.601 -7.684 1.865 897 HB3 ASP 27 HB3 ASP 27 -16.028 -8.375 1.125 898 H LYS 28 H LYS 28 -13.130 -10.303 2.597 899 HA LYS 28 HA LYS 28 -13.870 -12.873 1.561 900 HB2 LYS 28 HB2 LYS 28 -13.065 -12.616 -0.739 901 HB3 LYS 28 HB3 LYS 28 -14.432 -11.584 -0.438 902 HG2 LYS 28 HG2 LYS 28 -12.697 -9.682 -0.053 903 HG3 LYS 28 HG3 LYS 28 -11.516 -10.814 -0.731 904 HD2 LYS 28 HD2 LYS 28 -12.232 -9.422 -2.533 905 HD3 LYS 28 HD3 LYS 28 -13.032 -10.980 -2.786 906 HE2 LYS 28 HE2 LYS 28 -15.095 -10.058 -1.696 907 HE3 LYS 28 HE3 LYS 28 -14.271 -8.511 -1.473 908 HZ1 LYS 28 HZ1 LYS 28 -15.680 -8.503 -3.444 909 HZ2 LYS 28 HZ2 LYS 28 -14.116 -8.327 -3.903 910 HZ3 LYS 28 HZ3 LYS 28 -14.894 -9.783 -4.077 911 HN1 NH2 29 HN1 NH2 29 -10.418 -13.790 1.601 912 HN2 NH2 29 HN2 NH2 29 -11.957 -14.155 0.836 Start of MODEL 14 1 H1 ASN 31 H1 ASN 31 2.742 19.073 -4.536 2 H2 ASN 31 H2 ASN 31 1.244 19.383 -5.146 3 H3 ASN 31 H3 ASN 31 1.660 19.971 -3.672 4 HA ASN 31 HA ASN 31 1.693 21.733 -5.195 5 HB2 ASN 31 HB2 ASN 31 4.498 20.899 -4.340 6 HB3 ASN 31 HB3 ASN 31 4.088 22.463 -5.042 7 HD21 ASN 31 HD21 ASN 31 4.332 23.878 -3.290 8 HD22 ASN 31 HD22 ASN 31 3.511 23.613 -1.751 9 H SER 32 H SER 32 4.281 19.450 -6.306 10 HA SER 32 HA SER 32 3.581 20.028 -9.139 11 HB2 SER 32 HB2 SER 32 6.336 20.486 -7.929 12 HB3 SER 32 HB3 SER 32 5.945 20.558 -9.655 13 HG SER 32 HG SER 32 6.018 22.583 -8.707 14 H GLY 33 H GLY 33 3.811 17.554 -7.131 15 HA2 GLY 33 HA2 GLY 33 5.081 15.716 -9.074 16 HA3 GLY 33 HA3 GLY 33 5.941 15.937 -7.555 17 H LEU 34 H LEU 34 3.331 14.408 -9.167 18 HA LEU 34 HA LEU 34 2.650 12.733 -6.808 19 HB2 LEU 34 HB2 LEU 34 0.730 14.301 -8.593 20 HB3 LEU 34 HB3 LEU 34 0.203 13.003 -7.539 21 HG LEU 34 HG LEU 34 1.492 15.563 -6.530 22 HD11 LEU 34 HD11 LEU 34 -0.792 16.130 -5.791 23 HD12 LEU 34 HD12 LEU 34 -1.423 14.655 -6.556 24 HD13 LEU 34 HD13 LEU 34 -0.734 15.955 -7.550 25 HD21 LEU 34 HD21 LEU 34 0.589 14.761 -4.348 26 HD22 LEU 34 HD22 LEU 34 1.817 13.670 -4.989 27 HD23 LEU 34 HD23 LEU 34 0.094 13.249 -5.152 28 HA PRO 35 HA PRO 35 1.687 9.738 -10.246 29 HB2 PRO 35 HB2 PRO 35 0.249 7.911 -8.902 30 HB3 PRO 35 HB3 PRO 35 2.001 8.057 -8.624 31 HG2 PRO 35 HG2 PRO 35 -0.240 9.236 -6.955 32 HG3 PRO 35 HG3 PRO 35 1.193 8.308 -6.402 33 HD2 PRO 35 HD2 PRO 35 1.052 11.076 -6.436 34 HD3 PRO 35 HD3 PRO 35 2.574 10.163 -6.616 35 H THR 36 H THR 36 -0.928 8.628 -10.438 36 HA THR 36 HA THR 36 -2.881 10.741 -9.766 37 HB THR 36 HB THR 36 -2.028 11.671 -11.713 38 HG1 THR 36 HG1 THR 36 -4.303 11.646 -11.432 39 HG21 THR 36 HG21 THR 36 -2.101 10.635 -13.955 40 HG22 THR 36 HG22 THR 36 -2.630 9.098 -13.232 41 HG23 THR 36 HG23 THR 36 -1.013 9.752 -12.887 42 H THR 37 H THR 37 -2.389 7.460 -11.024 43 HA THR 37 HA THR 37 -5.202 6.948 -10.229 44 HB THR 37 HB THR 37 -5.454 5.466 -12.311 45 HG1 THR 37 HG1 THR 37 -4.335 6.982 -14.009 46 HG21 THR 37 HG21 THR 37 -6.740 7.555 -11.844 47 HG22 THR 37 HG22 THR 37 -6.453 7.276 -13.568 48 HG23 THR 37 HG23 THR 37 -5.492 8.485 -12.687 49 H LEU 38 H LEU 38 -5.639 5.183 -9.264 50 HA LEU 38 HA LEU 38 -3.626 3.783 -7.984 51 HB2 LEU 38 HB2 LEU 38 -6.234 4.117 -7.616 52 HB3 LEU 38 HB3 LEU 38 -6.328 2.502 -8.317 53 HG LEU 38 HG LEU 38 -4.941 3.420 -5.789 54 HD11 LEU 38 HD11 LEU 38 -6.568 1.886 -4.700 55 HD12 LEU 38 HD12 LEU 38 -7.274 1.526 -6.291 56 HD13 LEU 38 HD13 LEU 38 -7.360 3.169 -5.618 57 HD21 LEU 38 HD21 LEU 38 -3.512 1.640 -6.610 58 HD22 LEU 38 HD22 LEU 38 -4.922 0.618 -6.987 59 HD23 LEU 38 HD23 LEU 38 -4.491 0.994 -5.302 60 H GLY 39 H GLY 39 -5.353 2.697 -10.960 61 HA2 GLY 39 HA2 GLY 39 -4.477 0.065 -11.149 62 HA3 GLY 39 HA3 GLY 39 -4.698 1.138 -12.529 63 H LYS 40 H LYS 40 -2.497 2.956 -11.900 64 HA LYS 40 HA LYS 40 -0.238 1.482 -13.008 65 HB2 LYS 40 HB2 LYS 40 -0.474 4.289 -11.858 66 HB3 LYS 40 HB3 LYS 40 0.936 3.673 -12.720 67 HG2 LYS 40 HG2 LYS 40 -0.323 3.430 -14.776 68 HG3 LYS 40 HG3 LYS 40 -1.849 3.820 -13.964 69 HD2 LYS 40 HD2 LYS 40 -1.092 6.091 -13.485 70 HD3 LYS 40 HD3 LYS 40 0.508 5.737 -14.146 71 HE2 LYS 40 HE2 LYS 40 -0.803 7.026 -15.733 72 HE3 LYS 40 HE3 LYS 40 -0.440 5.433 -16.392 73 HZ1 LYS 40 HZ1 LYS 40 -2.671 4.751 -16.023 74 HZ2 LYS 40 HZ2 LYS 40 -3.028 6.051 -15.073 75 HZ3 LYS 40 HZ3 LYS 40 -2.760 6.269 -16.676 76 H LEU 41 H LEU 41 -0.947 2.882 -9.788 77 HA LEU 41 HA LEU 41 1.483 2.023 -8.531 78 HB2 LEU 41 HB2 LEU 41 -0.250 3.801 -7.755 79 HB3 LEU 41 HB3 LEU 41 -1.213 2.438 -7.188 80 HG LEU 41 HG LEU 41 0.994 1.728 -5.915 81 HD11 LEU 41 HD11 LEU 41 2.372 3.650 -5.255 82 HD12 LEU 41 HD12 LEU 41 1.495 4.703 -6.367 83 HD13 LEU 41 HD13 LEU 41 2.497 3.373 -6.997 84 HD21 LEU 41 HD21 LEU 41 0.406 3.039 -3.992 85 HD22 LEU 41 HD22 LEU 41 -1.072 2.507 -4.814 86 HD23 LEU 41 HD23 LEU 41 -0.517 4.192 -4.995 87 H ASP 42 H ASP 42 -1.729 0.459 -8.805 88 HA ASP 42 HA ASP 42 -1.275 -1.861 -7.242 89 HB2 ASP 42 HB2 ASP 42 -3.476 -1.277 -8.025 90 HB3 ASP 42 HB3 ASP 42 -2.956 -1.241 -9.704 91 H GLU 43 H GLU 43 -0.317 -1.232 -10.608 92 HA GLU 43 HA GLU 43 0.744 -3.887 -11.080 93 HB2 GLU 43 HB2 GLU 43 0.145 -2.322 -12.863 94 HB3 GLU 43 HB3 GLU 43 1.364 -1.175 -12.316 95 HG2 GLU 43 HG2 GLU 43 3.164 -2.737 -12.908 96 HG3 GLU 43 HG3 GLU 43 1.965 -3.959 -13.377 97 H ARG 44 H ARG 44 2.259 -0.862 -9.787 98 HA ARG 44 HA ARG 44 4.881 -2.017 -9.441 99 HB2 ARG 44 HB2 ARG 44 3.488 0.299 -8.006 100 HB3 ARG 44 HB3 ARG 44 5.160 -0.173 -7.796 101 HG2 ARG 44 HG2 ARG 44 5.511 0.180 -10.284 102 HG3 ARG 44 HG3 ARG 44 3.882 0.875 -10.339 103 HD2 ARG 44 HD2 ARG 44 4.596 2.583 -8.645 104 HD3 ARG 44 HD3 ARG 44 6.232 1.884 -8.673 105 HE ARG 44 HE ARG 44 5.275 2.598 -11.330 106 HH11 ARG 44 HH11 ARG 44 6.952 4.080 -8.551 107 HH12 ARG 44 HH12 ARG 44 7.703 5.230 -9.616 108 HH21 ARG 44 HH21 ARG 44 6.108 4.156 -12.460 109 HH22 ARG 44 HH22 ARG 44 7.054 5.434 -11.725 110 H LEU 45 H LEU 45 2.072 -1.763 -7.186 111 HA LEU 45 HA LEU 45 3.466 -3.082 -5.033 112 HB2 LEU 45 HB2 LEU 45 0.535 -2.512 -5.540 113 HB3 LEU 45 HB3 LEU 45 1.160 -3.146 -4.020 114 HG LEU 45 HG LEU 45 2.091 -0.500 -5.239 115 HD11 LEU 45 HD11 LEU 45 0.067 -0.986 -3.032 116 HD12 LEU 45 HD12 LEU 45 -0.293 -0.382 -4.668 117 HD13 LEU 45 HD13 LEU 45 0.700 0.584 -3.555 118 HD21 LEU 45 HD21 LEU 45 2.386 -1.540 -2.398 119 HD22 LEU 45 HD22 LEU 45 2.955 0.004 -3.029 120 HD23 LEU 45 HD23 LEU 45 3.694 -1.488 -3.594 121 H ARG 46 H ARG 46 1.358 -4.485 -7.557 122 HA ARG 46 HA ARG 46 1.544 -7.181 -6.454 123 HB2 ARG 46 HB2 ARG 46 0.908 -6.147 -9.248 124 HB3 ARG 46 HB3 ARG 46 0.922 -7.867 -8.821 125 HG2 ARG 46 HG2 ARG 46 -0.776 -7.484 -7.067 126 HG3 ARG 46 HG3 ARG 46 -0.798 -5.760 -7.450 127 HD2 ARG 46 HD2 ARG 46 -1.427 -6.526 -9.857 128 HD3 ARG 46 HD3 ARG 46 -1.819 -8.076 -9.118 129 HE ARG 46 HE ARG 46 -3.038 -5.400 -8.431 130 HH11 ARG 46 HH11 ARG 46 -3.760 -8.840 -8.815 131 HH12 ARG 46 HH12 ARG 46 -5.340 -8.578 -8.096 132 HH21 ARG 46 HH21 ARG 46 -4.916 -5.236 -7.656 133 HH22 ARG 46 HH22 ARG 46 -5.986 -6.647 -7.399 134 H ASN 47 H ASN 47 3.706 -5.241 -8.471 135 HA ASN 47 HA ASN 47 5.642 -7.423 -8.833 136 HB2 ASN 47 HB2 ASN 47 5.674 -4.428 -9.278 137 HB3 ASN 47 HB3 ASN 47 7.186 -5.292 -9.137 138 HD21 ASN 47 HD21 ASN 47 4.265 -4.909 -11.052 139 HD22 ASN 47 HD22 ASN 47 4.963 -5.679 -12.484 140 H TYR 48 H TYR 48 5.392 -4.708 -6.413 141 HA TYR 48 HA TYR 48 7.757 -5.225 -5.086 142 HB2 TYR 48 HB2 TYR 48 5.187 -4.070 -4.127 143 HB3 TYR 48 HB3 TYR 48 6.504 -4.319 -3.082 144 HD1 TYR 48 HD1 TYR 48 8.658 -3.163 -3.428 145 HD2 TYR 48 HD2 TYR 48 5.068 -1.912 -5.356 146 HE1 TYR 48 HE1 TYR 48 9.571 -0.828 -3.619 147 HE2 TYR 48 HE2 TYR 48 5.932 0.396 -5.527 148 HH TYR 48 HH TYR 48 9.031 1.316 -4.072 149 H LEU 49 H LEU 49 4.658 -6.921 -4.363 150 HA LEU 49 HA LEU 49 5.922 -8.470 -2.264 151 HB2 LEU 49 HB2 LEU 49 3.535 -9.183 -4.020 152 HB3 LEU 49 HB3 LEU 49 4.076 -10.119 -2.624 153 HG LEU 49 HG LEU 49 3.084 -7.271 -2.531 154 HD11 LEU 49 HD11 LEU 49 1.126 -8.326 -1.381 155 HD12 LEU 49 HD12 LEU 49 1.833 -9.921 -1.664 156 HD13 LEU 49 HD13 LEU 49 1.313 -8.915 -3.039 157 HD21 LEU 49 HD21 LEU 49 4.676 -7.706 -0.676 158 HD22 LEU 49 HD22 LEU 49 3.717 -9.136 -0.213 159 HD23 LEU 49 HD23 LEU 49 3.027 -7.512 -0.098 160 H LYS 50 H LYS 50 5.696 -9.179 -5.810 161 HA LYS 50 HA LYS 50 6.859 -11.826 -5.453 162 HB2 LYS 50 HB2 LYS 50 6.809 -10.073 -7.936 163 HB3 LYS 50 HB3 LYS 50 7.244 -11.793 -7.823 164 HG2 LYS 50 HG2 LYS 50 4.998 -12.396 -7.121 165 HG3 LYS 50 HG3 LYS 50 4.492 -10.704 -7.126 166 HD2 LYS 50 HD2 LYS 50 5.477 -12.233 -9.575 167 HD3 LYS 50 HD3 LYS 50 3.781 -11.999 -9.154 168 HE2 LYS 50 HE2 LYS 50 4.098 -9.518 -9.284 169 HE3 LYS 50 HE3 LYS 50 5.773 -9.786 -9.780 170 HZ1 LYS 50 HZ1 LYS 50 3.332 -10.559 -11.264 171 HZ2 LYS 50 HZ2 LYS 50 4.837 -11.091 -11.684 172 HZ3 LYS 50 HZ3 LYS 50 4.478 -9.485 -11.747 173 H LYS 51 H LYS 51 8.247 -8.689 -6.390 174 HA LYS 51 HA LYS 51 11.027 -9.483 -6.503 175 HB2 LYS 51 HB2 LYS 51 9.544 -6.898 -6.202 176 HB3 LYS 51 HB3 LYS 51 11.323 -6.958 -6.179 177 HG2 LYS 51 HG2 LYS 51 11.358 -7.906 -8.413 178 HG3 LYS 51 HG3 LYS 51 9.581 -8.020 -8.441 179 HD2 LYS 51 HD2 LYS 51 9.397 -5.607 -8.252 180 HD3 LYS 51 HD3 LYS 51 11.154 -5.417 -8.200 181 HE2 LYS 51 HE2 LYS 51 9.592 -6.652 -10.506 182 HE3 LYS 51 HE3 LYS 51 10.019 -4.935 -10.399 183 HZ1 LYS 51 HZ1 LYS 51 11.645 -6.126 -11.731 184 HZ2 LYS 51 HZ2 LYS 51 12.347 -5.536 -10.385 185 HZ3 LYS 51 HZ3 LYS 51 12.005 -7.150 -10.506 186 H GLY 52 H GLY 52 8.950 -8.827 -3.766 187 HA2 GLY 52 HA2 GLY 52 11.278 -8.190 -2.046 188 HA3 GLY 52 HA3 GLY 52 9.607 -7.710 -1.874 189 H THR 53 H THR 53 8.280 -10.250 -1.937 190 HA THR 53 HA THR 53 8.949 -11.238 0.763 191 HB THR 53 HB THR 53 6.871 -12.401 0.703 192 HG1 THR 53 HG1 THR 53 6.577 -11.419 -1.989 193 HG21 THR 53 HG21 THR 53 6.487 -9.548 -0.187 194 HG22 THR 53 HG22 THR 53 6.610 -10.236 1.455 195 HG23 THR 53 HG23 THR 53 5.218 -10.625 0.460 196 H LYS 54 H LYS 54 9.067 -13.592 1.201 197 HA LYS 54 HA LYS 54 10.436 -15.058 -0.905 198 HB2 LYS 54 HB2 LYS 54 9.342 -16.236 1.659 199 HB3 LYS 54 HB3 LYS 54 10.599 -16.880 0.613 200 HG2 LYS 54 HG2 LYS 54 10.796 -14.409 2.380 201 HG3 LYS 54 HG3 LYS 54 11.559 -15.976 2.643 202 HD2 LYS 54 HD2 LYS 54 12.973 -15.657 0.631 203 HD3 LYS 54 HD3 LYS 54 12.160 -14.116 0.308 204 HE2 LYS 54 HE2 LYS 54 14.232 -13.585 1.307 205 HE3 LYS 54 HE3 LYS 54 12.956 -13.224 2.477 206 HZ1 LYS 54 HZ1 LYS 54 13.520 -15.215 3.678 207 HZ2 LYS 54 HZ2 LYS 54 14.661 -15.657 2.532 208 HZ3 LYS 54 HZ3 LYS 54 14.890 -14.349 3.461 209 H ASN 55 H ASN 55 7.050 -15.154 0.292 210 HA ASN 55 HA ASN 55 6.317 -16.077 -2.407 211 HB2 ASN 55 HB2 ASN 55 6.389 -18.167 -1.091 212 HB3 ASN 55 HB3 ASN 55 5.411 -17.421 0.182 213 HD21 ASN 55 HD21 ASN 55 3.797 -19.108 -0.021 214 HD22 ASN 55 HD22 ASN 55 2.747 -19.138 -1.428 215 H SER 56 H SER 56 5.034 -14.635 -3.167 216 HA SER 56 HA SER 56 3.410 -12.800 -1.665 217 HB2 SER 56 HB2 SER 56 2.598 -12.130 -3.930 218 HB3 SER 56 HB3 SER 56 4.364 -12.166 -3.792 219 HG SER 56 HG SER 56 4.459 -14.028 -4.942 220 H ALA 57 H ALA 57 2.685 -16.000 -3.007 221 HA ALA 57 HA ALA 57 -0.079 -15.535 -3.536 222 HB1 ALA 57 HB1 ALA 57 -0.104 -17.949 -4.002 223 HB2 ALA 57 HB2 ALA 57 1.485 -18.123 -3.231 224 HB3 ALA 57 HB3 ALA 57 1.315 -17.167 -4.717 225 H GLN 58 H GLN 58 1.087 -15.529 -0.475 226 HA GLN 58 HA GLN 58 -1.268 -16.878 0.746 227 HB2 GLN 58 HB2 GLN 58 -0.074 -16.564 2.845 228 HB3 GLN 58 HB3 GLN 58 0.926 -17.432 1.676 229 HG2 GLN 58 HG2 GLN 58 2.110 -15.252 1.147 230 HG3 GLN 58 HG3 GLN 58 1.181 -14.469 2.411 231 HE21 GLN 58 HE21 GLN 58 4.125 -15.396 1.763 232 HE22 GLN 58 HE22 GLN 58 4.608 -15.933 3.367 233 H PHE 59 H PHE 59 -0.118 -13.742 -0.256 234 HA PHE 59 HA PHE 59 -1.645 -12.210 1.708 235 HB2 PHE 59 HB2 PHE 59 -0.066 -11.420 -0.742 236 HB3 PHE 59 HB3 PHE 59 -0.925 -10.287 0.291 237 HD1 PHE 59 HD1 PHE 59 -0.217 -9.851 2.604 238 HD2 PHE 59 HD2 PHE 59 2.017 -12.544 0.106 239 HE1 PHE 59 HE1 PHE 59 1.653 -9.802 4.228 240 HE2 PHE 59 HE2 PHE 59 3.884 -12.513 1.731 241 HZ PHE 59 HZ PHE 59 3.703 -11.143 3.798 242 H GLU 60 H GLU 60 -3.496 -10.930 1.276 243 HA GLU 60 HA GLU 60 -5.168 -11.955 -1.013 244 HB2 GLU 60 HB2 GLU 60 -7.111 -11.682 0.378 245 HB3 GLU 60 HB3 GLU 60 -5.987 -12.876 1.039 246 HG2 GLU 60 HG2 GLU 60 -5.297 -11.437 2.756 247 HG3 GLU 60 HG3 GLU 60 -5.966 -10.004 2.038 248 H LYS 61 H LYS 61 -4.254 -9.136 0.858 249 HA LYS 61 HA LYS 61 -5.304 -7.337 -1.169 250 HB2 LYS 61 HB2 LYS 61 -6.841 -6.139 0.134 251 HB3 LYS 61 HB3 LYS 61 -7.295 -7.818 0.315 252 HG2 LYS 61 HG2 LYS 61 -6.488 -7.846 2.622 253 HG3 LYS 61 HG3 LYS 61 -5.713 -6.276 2.416 254 HD2 LYS 61 HD2 LYS 61 -7.671 -5.096 2.423 255 HD3 LYS 61 HD3 LYS 61 -8.655 -6.429 1.846 256 HE2 LYS 61 HE2 LYS 61 -7.380 -6.462 4.610 257 HE3 LYS 61 HE3 LYS 61 -8.915 -5.651 4.297 258 HZ1 LYS 61 HZ1 LYS 61 -8.418 -8.556 3.888 259 HZ2 LYS 61 HZ2 LYS 61 -9.789 -7.775 3.456 260 HZ3 LYS 61 HZ3 LYS 61 -9.398 -7.864 5.021 261 H MET 62 H MET 62 -4.954 -5.127 -0.573 262 HA MET 62 HA MET 62 -2.613 -4.556 1.164 263 HB2 MET 62 HB2 MET 62 -1.521 -3.269 -0.571 264 HB3 MET 62 HB3 MET 62 -1.780 -4.918 -1.145 265 HG2 MET 62 HG2 MET 62 -3.719 -4.195 -2.466 266 HG3 MET 62 HG3 MET 62 -3.525 -2.540 -1.876 267 HE1 MET 62 HE1 MET 62 -3.759 -3.301 -4.987 268 HE2 MET 62 HE2 MET 62 -2.565 -2.142 -5.599 269 HE3 MET 62 HE3 MET 62 -3.653 -1.665 -4.284 270 H VAL 63 H VAL 63 -2.468 -2.369 1.844 271 HA VAL 63 HA VAL 63 -4.606 -0.541 1.010 272 HB VAL 63 HB VAL 63 -5.418 -1.576 3.088 273 HG11 VAL 63 HG11 VAL 63 -4.382 -1.573 5.069 274 HG12 VAL 63 HG12 VAL 63 -3.254 -0.232 4.658 275 HG13 VAL 63 HG13 VAL 63 -3.008 -1.846 4.000 276 HG21 VAL 63 HG21 VAL 63 -4.662 1.346 3.483 277 HG22 VAL 63 HG22 VAL 63 -5.920 0.442 4.352 278 HG23 VAL 63 HG23 VAL 63 -6.093 0.742 2.618 279 H ILE 64 H ILE 64 -3.857 1.390 0.497 280 HA ILE 64 HA ILE 64 -0.985 2.035 1.027 281 HB ILE 64 HB ILE 64 -2.781 3.189 -1.149 282 HG12 ILE 64 HG12 ILE 64 -1.132 1.738 -2.630 283 HG13 ILE 64 HG13 ILE 64 -1.055 0.703 -1.225 284 HG21 ILE 64 HG21 ILE 64 -0.799 4.558 -0.513 285 HG22 ILE 64 HG22 ILE 64 -0.646 3.915 -2.135 286 HG23 ILE 64 HG23 ILE 64 0.252 3.155 -0.804 287 HD11 ILE 64 HD11 ILE 64 -3.480 0.283 -1.398 288 HD12 ILE 64 HD12 ILE 64 -2.683 -0.007 -2.949 289 HD13 ILE 64 HD13 ILE 64 -3.600 1.489 -2.707 290 H LEU 65 H LEU 65 -0.450 3.890 2.041 291 HA LEU 65 HA LEU 65 -2.572 5.898 2.692 292 HB2 LEU 65 HB2 LEU 65 -0.103 5.321 4.364 293 HB3 LEU 65 HB3 LEU 65 -1.452 6.380 4.753 294 HG LEU 65 HG LEU 65 -1.505 3.337 4.646 295 HD11 LEU 65 HD11 LEU 65 -0.401 4.381 6.623 296 HD12 LEU 65 HD12 LEU 65 -1.894 3.511 7.053 297 HD13 LEU 65 HD13 LEU 65 -1.887 5.283 6.951 298 HD21 LEU 65 HD21 LEU 65 -3.721 4.193 3.945 299 HD22 LEU 65 HD22 LEU 65 -3.741 5.294 5.336 300 HD23 LEU 65 HD23 LEU 65 -3.796 3.529 5.576 301 H THR 66 H THR 66 -2.196 7.866 1.847 302 HA THR 66 HA THR 66 0.485 8.352 0.570 303 HB THR 66 HB THR 66 -0.681 9.532 -1.188 304 HG1 THR 66 HG1 THR 66 -2.401 10.391 -0.080 305 HG21 THR 66 HG21 THR 66 -0.505 7.074 -1.441 306 HG22 THR 66 HG22 THR 66 -1.920 7.762 -2.275 307 HG23 THR 66 HG23 THR 66 -2.133 6.898 -0.743 308 H GLU 67 H GLU 67 0.914 10.721 0.056 309 HA GLU 67 HA GLU 67 0.522 12.556 2.208 310 HB2 GLU 67 HB2 GLU 67 0.494 13.409 -0.686 311 HB3 GLU 67 HB3 GLU 67 1.066 14.294 0.709 312 HG2 GLU 67 HG2 GLU 67 3.069 12.926 0.858 313 HG3 GLU 67 HG3 GLU 67 2.491 11.853 -0.427 314 H ASN 68 H ASN 68 -0.869 14.576 2.011 315 HA ASN 68 HA ASN 68 -2.904 15.541 2.133 316 HB2 ASN 68 HB2 ASN 68 -3.310 14.237 -0.582 317 HB3 ASN 68 HB3 ASN 68 -4.256 15.568 0.039 318 HD21 ASN 68 HD21 ASN 68 -1.464 14.765 -1.738 319 HD22 ASN 68 HD22 ASN 68 -0.598 16.291 -1.568 320 H LYS 69 H LYS 69 -2.606 12.958 3.377 321 HA LYS 69 HA LYS 69 -3.768 11.646 4.761 322 HB2 LYS 69 HB2 LYS 69 -6.077 13.535 4.186 323 HB3 LYS 69 HB3 LYS 69 -5.940 12.456 5.571 324 HG2 LYS 69 HG2 LYS 69 -4.107 13.653 6.500 325 HG3 LYS 69 HG3 LYS 69 -3.841 14.596 5.027 326 HD2 LYS 69 HD2 LYS 69 -6.009 15.694 5.278 327 HD3 LYS 69 HD3 LYS 69 -6.290 14.808 6.810 328 HE2 LYS 69 HE2 LYS 69 -4.177 15.795 7.699 329 HE3 LYS 69 HE3 LYS 69 -3.964 16.656 6.166 330 HZ1 LYS 69 HZ1 LYS 69 -4.983 18.134 7.772 331 HZ2 LYS 69 HZ2 LYS 69 -6.211 17.076 8.078 332 HZ3 LYS 69 HZ3 LYS 69 -6.088 17.797 6.613 333 H GLY 70 H GLY 70 -3.955 11.075 1.797 334 HA2 GLY 70 HA2 GLY 70 -6.447 9.705 1.336 335 HA3 GLY 70 HA3 GLY 70 -4.980 9.501 0.388 336 H TYR 71 H TYR 71 -6.935 7.574 1.176 337 HA TYR 71 HA TYR 71 -5.276 5.425 2.358 338 HB2 TYR 71 HB2 TYR 71 -6.425 6.372 4.279 339 HB3 TYR 71 HB3 TYR 71 -7.955 6.391 3.425 340 HD1 TYR 71 HD1 TYR 71 -9.013 4.120 2.735 341 HD2 TYR 71 HD2 TYR 71 -5.941 4.528 5.762 342 HE1 TYR 71 HE1 TYR 71 -9.715 1.971 3.757 343 HE2 TYR 71 HE2 TYR 71 -6.721 2.452 6.815 344 HH TYR 71 HH TYR 71 -8.341 0.899 6.867 345 H TYR 72 H TYR 72 -5.585 3.596 1.119 346 HA TYR 72 HA TYR 72 -8.093 3.255 -0.506 347 HB2 TYR 72 HB2 TYR 72 -5.231 3.163 -1.570 348 HB3 TYR 72 HB3 TYR 72 -6.680 2.789 -2.475 349 HD1 TYR 72 HD1 TYR 72 -4.718 5.528 -0.883 350 HD2 TYR 72 HD2 TYR 72 -7.976 4.512 -3.526 351 HE1 TYR 72 HE1 TYR 72 -4.806 7.890 -1.692 352 HE2 TYR 72 HE2 TYR 72 -8.020 6.847 -4.369 353 HH TYR 72 HH TYR 72 -7.055 8.861 -4.304 354 H THR 73 H THR 73 -8.816 1.156 -0.117 355 HA THR 73 HA THR 73 -6.743 -0.972 0.310 356 HB THR 73 HB THR 73 -8.191 -0.542 2.255 357 HG1 THR 73 HG1 THR 73 -8.705 -2.791 2.487 358 HG21 THR 73 HG21 THR 73 -10.458 -1.299 2.353 359 HG22 THR 73 HG22 THR 73 -10.411 -1.921 0.690 360 HG23 THR 73 HG23 THR 73 -10.368 -0.175 1.001 361 H VAL 74 H VAL 74 -6.669 -2.776 -0.892 362 HA VAL 74 HA VAL 74 -8.678 -3.252 -3.059 363 HB VAL 74 HB VAL 74 -5.704 -2.816 -3.559 364 HG11 VAL 74 HG11 VAL 74 -6.331 -2.965 -5.963 365 HG12 VAL 74 HG12 VAL 74 -7.992 -3.402 -5.491 366 HG13 VAL 74 HG13 VAL 74 -6.621 -4.472 -5.110 367 HG21 VAL 74 HG21 VAL 74 -6.725 -0.633 -3.239 368 HG22 VAL 74 HG22 VAL 74 -8.066 -1.057 -4.330 369 HG23 VAL 74 HG23 VAL 74 -6.409 -0.875 -4.952 370 H TYR 75 H TYR 75 -9.086 -5.420 -3.216 371 HA TYR 75 HA TYR 75 -7.331 -7.407 -1.998 372 HB2 TYR 75 HB2 TYR 75 -9.947 -7.490 -3.462 373 HB3 TYR 75 HB3 TYR 75 -8.966 -8.939 -3.406 374 HD1 TYR 75 HD1 TYR 75 -10.535 -6.354 -1.175 375 HD2 TYR 75 HD2 TYR 75 -8.896 -10.336 -1.499 376 HE1 TYR 75 HE1 TYR 75 -11.312 -6.872 1.126 377 HE2 TYR 75 HE2 TYR 75 -9.655 -10.841 0.806 378 HH TYR 75 HH TYR 75 -10.696 -10.053 2.681 379 H LEU 76 H LEU 76 -5.973 -8.762 -2.872 380 HA LEU 76 HA LEU 76 -4.981 -8.263 -5.638 381 HB2 LEU 76 HB2 LEU 76 -3.672 -9.589 -3.228 382 HB3 LEU 76 HB3 LEU 76 -2.906 -9.316 -4.790 383 HG LEU 76 HG LEU 76 -3.825 -7.144 -2.854 384 HD11 LEU 76 HD11 LEU 76 -1.059 -8.052 -3.733 385 HD12 LEU 76 HD12 LEU 76 -1.804 -8.355 -2.146 386 HD13 LEU 76 HD13 LEU 76 -1.427 -6.696 -2.647 387 HD21 LEU 76 HD21 LEU 76 -4.083 -6.251 -5.077 388 HD22 LEU 76 HD22 LEU 76 -2.534 -6.959 -5.600 389 HD23 LEU 76 HD23 LEU 76 -2.568 -5.628 -4.435 390 H ASN 77 H ASN 77 -6.646 -10.740 -3.828 391 HA ASN 77 HA ASN 77 -5.866 -12.925 -5.574 392 HB2 ASN 77 HB2 ASN 77 -6.935 -13.009 -3.173 393 HB3 ASN 77 HB3 ASN 77 -8.467 -12.825 -4.027 394 HD21 ASN 77 HD21 ASN 77 -8.993 -15.012 -3.148 395 HD22 ASN 77 HD22 ASN 77 -8.231 -16.424 -3.896 396 H THR 78 H THR 78 -7.529 -10.183 -6.316 397 HA THR 78 HA THR 78 -8.502 -11.296 -8.843 398 HB THR 78 HB THR 78 -10.398 -9.602 -8.783 399 HG1 THR 78 HG1 THR 78 -10.974 -9.583 -6.283 400 HG21 THR 78 HG21 THR 78 -10.636 -11.795 -6.695 401 HG22 THR 78 HG22 THR 78 -10.718 -12.058 -8.453 402 HG23 THR 78 HG23 THR 78 -11.935 -11.050 -7.664 403 HA PRO 79 HA PRO 79 -6.449 -7.452 -10.282 404 HB2 PRO 79 HB2 PRO 79 -8.608 -7.482 -12.372 405 HB3 PRO 79 HB3 PRO 79 -6.838 -7.295 -12.580 406 HG2 PRO 79 HG2 PRO 79 -8.042 -9.649 -13.202 407 HG3 PRO 79 HG3 PRO 79 -6.486 -9.646 -12.299 408 HD2 PRO 79 HD2 PRO 79 -9.284 -9.916 -11.161 409 HD3 PRO 79 HD3 PRO 79 -7.832 -10.927 -10.864 410 H LEU 80 H LEU 80 -6.997 -5.176 -10.148 411 HA LEU 80 HA LEU 80 -9.476 -4.621 -8.716 412 HB2 LEU 80 HB2 LEU 80 -8.793 -2.492 -8.337 413 HB3 LEU 80 HB3 LEU 80 -7.313 -3.427 -8.267 414 HG LEU 80 HG LEU 80 -8.210 -1.609 -10.549 415 HD11 LEU 80 HD11 LEU 80 -5.946 -1.349 -8.526 416 HD12 LEU 80 HD12 LEU 80 -7.481 -0.465 -8.455 417 HD13 LEU 80 HD13 LEU 80 -6.370 -0.179 -9.795 418 HD21 LEU 80 HD21 LEU 80 -5.670 -3.240 -10.186 419 HD22 LEU 80 HD22 LEU 80 -5.837 -1.935 -11.371 420 HD23 LEU 80 HD23 LEU 80 -6.840 -3.382 -11.515 421 H ALA 81 H ALA 81 -11.291 -3.537 -9.407 422 HA ALA 81 HA ALA 81 -12.205 -4.137 -12.004 423 HB1 ALA 81 HB1 ALA 81 -13.245 -2.136 -9.955 424 HB2 ALA 81 HB2 ALA 81 -13.653 -3.867 -10.045 425 HB3 ALA 81 HB3 ALA 81 -14.168 -2.765 -11.336 426 H GLU 82 H GLU 82 -12.794 -2.823 -13.815 427 HA GLU 82 HA GLU 82 -11.042 -0.945 -14.802 428 HB2 GLU 82 HB2 GLU 82 -12.773 -0.342 -16.424 429 HB3 GLU 82 HB3 GLU 82 -12.596 -2.082 -16.207 430 HG2 GLU 82 HG2 GLU 82 -14.643 -2.169 -14.853 431 HG3 GLU 82 HG3 GLU 82 -14.797 -0.408 -14.917 432 H ASP 83 H ASP 83 -13.765 -0.086 -12.681 433 HA ASP 83 HA ASP 83 -13.454 2.787 -13.046 434 HB2 ASP 83 HB2 ASP 83 -14.711 1.096 -10.850 435 HB3 ASP 83 HB3 ASP 83 -14.798 2.859 -10.916 436 H ARG 84 H ARG 84 -12.054 0.387 -10.848 437 HA ARG 84 HA ARG 84 -10.666 2.348 -9.143 438 HB2 ARG 84 HB2 ARG 84 -10.691 -0.699 -9.270 439 HB3 ARG 84 HB3 ARG 84 -9.717 0.238 -8.131 440 HG2 ARG 84 HG2 ARG 84 -11.719 1.294 -7.190 441 HG3 ARG 84 HG3 ARG 84 -12.755 0.413 -8.332 442 HD2 ARG 84 HD2 ARG 84 -12.056 -1.720 -7.412 443 HD3 ARG 84 HD3 ARG 84 -10.902 -0.928 -6.316 444 HE ARG 84 HE ARG 84 -13.189 0.298 -5.573 445 HH11 ARG 84 HH11 ARG 84 -12.620 -3.185 -6.004 446 HH12 ARG 84 HH12 ARG 84 -13.881 -3.544 -4.837 447 HH21 ARG 84 HH21 ARG 84 -14.659 -0.288 -4.144 448 HH22 ARG 84 HH22 ARG 84 -14.959 -1.992 -3.806 449 H LYS 85 H LYS 85 -9.853 0.396 -11.968 450 HA LYS 85 HA LYS 85 -7.009 0.801 -11.996 451 HB2 LYS 85 HB2 LYS 85 -9.089 0.601 -14.209 452 HB3 LYS 85 HB3 LYS 85 -7.362 0.806 -14.530 453 HG2 LYS 85 HG2 LYS 85 -6.833 -1.260 -13.368 454 HG3 LYS 85 HG3 LYS 85 -8.537 -1.517 -12.958 455 HD2 LYS 85 HD2 LYS 85 -9.116 -1.787 -15.318 456 HD3 LYS 85 HD3 LYS 85 -7.471 -1.350 -15.811 457 HE2 LYS 85 HE2 LYS 85 -6.564 -3.310 -14.660 458 HE3 LYS 85 HE3 LYS 85 -8.157 -3.733 -14.037 459 HZ1 LYS 85 HZ1 LYS 85 -7.546 -5.057 -15.947 460 HZ2 LYS 85 HZ2 LYS 85 -7.425 -3.755 -16.938 461 HZ3 LYS 85 HZ3 LYS 85 -8.875 -4.195 -16.315 462 H ASN 86 H ASN 86 -9.594 3.049 -12.309 463 HA ASN 86 HA ASN 86 -7.817 5.231 -13.290 464 HB2 ASN 86 HB2 ASN 86 -10.708 4.508 -13.943 465 HB3 ASN 86 HB3 ASN 86 -9.884 5.956 -14.513 466 HD21 ASN 86 HD21 ASN 86 -10.362 2.543 -15.142 467 HD22 ASN 86 HD22 ASN 86 -9.104 2.429 -16.365 468 H VAL 87 H VAL 87 -8.900 4.452 -10.381 469 HA VAL 87 HA VAL 87 -10.438 6.858 -9.688 470 HB VAL 87 HB VAL 87 -10.729 4.595 -8.637 471 HG11 VAL 87 HG11 VAL 87 -9.359 3.949 -6.762 472 HG12 VAL 87 HG12 VAL 87 -8.267 5.331 -7.020 473 HG13 VAL 87 HG13 VAL 87 -8.379 4.035 -8.233 474 HG21 VAL 87 HG21 VAL 87 -10.202 6.890 -6.715 475 HG22 VAL 87 HG22 VAL 87 -11.257 5.490 -6.438 476 HG23 VAL 87 HG23 VAL 87 -11.676 6.673 -7.686 477 H GLU 88 H GLU 88 -9.670 8.681 -8.568 478 HA GLU 88 HA GLU 88 -7.027 9.436 -9.432 479 HB2 GLU 88 HB2 GLU 88 -9.001 10.910 -7.666 480 HB3 GLU 88 HB3 GLU 88 -7.575 11.621 -8.381 481 HG2 GLU 88 HG2 GLU 88 -9.812 10.412 -10.070 482 HG3 GLU 88 HG3 GLU 88 -9.827 12.072 -9.514 483 H LEU 89 H LEU 89 -5.240 10.077 -8.253 484 HA LEU 89 HA LEU 89 -4.988 8.977 -5.503 485 HB2 LEU 89 HB2 LEU 89 -3.000 9.539 -7.704 486 HB3 LEU 89 HB3 LEU 89 -2.497 9.172 -6.073 487 HG LEU 89 HG LEU 89 -4.192 7.356 -7.847 488 HD11 LEU 89 HD11 LEU 89 -2.219 5.910 -7.913 489 HD12 LEU 89 HD12 LEU 89 -1.314 7.057 -6.908 490 HD13 LEU 89 HD13 LEU 89 -1.853 7.516 -8.541 491 HD21 LEU 89 HD21 LEU 89 -3.007 6.891 -5.058 492 HD22 LEU 89 HD22 LEU 89 -3.670 5.606 -6.086 493 HD23 LEU 89 HD23 LEU 89 -4.738 6.867 -5.490 494 H LEU 90 H LEU 90 -5.134 10.246 -3.879 495 HA LEU 90 HA LEU 90 -5.041 13.087 -3.886 496 HB2 LEU 90 HB2 LEU 90 -4.931 10.954 -1.732 497 HB3 LEU 90 HB3 LEU 90 -4.925 12.662 -1.324 498 HG LEU 90 HG LEU 90 -7.124 11.471 -3.059 499 HD11 LEU 90 HD11 LEU 90 -8.480 11.326 -1.008 500 HD12 LEU 90 HD12 LEU 90 -7.063 11.775 -0.028 501 HD13 LEU 90 HD13 LEU 90 -7.090 10.244 -0.943 502 HD21 LEU 90 HD21 LEU 90 -6.925 13.949 -3.062 503 HD22 LEU 90 HD22 LEU 90 -6.999 13.956 -1.288 504 HD23 LEU 90 HD23 LEU 90 -8.396 13.417 -2.245 505 H GLY 91 H GLY 91 -2.436 10.775 -3.303 506 HA2 GLY 91 HA2 GLY 91 -0.437 12.955 -3.076 507 HA3 GLY 91 HA3 GLY 91 -0.686 11.915 -1.691 508 H LYS 92 H LYS 92 1.765 12.158 -2.823 509 HA LYS 92 HA LYS 92 2.630 9.895 -4.356 510 HB2 LYS 92 HB2 LYS 92 3.805 12.119 -3.533 511 HB3 LYS 92 HB3 LYS 92 4.170 11.183 -2.094 512 HG2 LYS 92 HG2 LYS 92 6.048 10.953 -3.330 513 HG3 LYS 92 HG3 LYS 92 5.179 9.506 -3.871 514 HD2 LYS 92 HD2 LYS 92 4.511 10.697 -5.939 515 HD3 LYS 92 HD3 LYS 92 5.268 12.175 -5.332 516 HE2 LYS 92 HE2 LYS 92 7.393 10.588 -5.078 517 HE3 LYS 92 HE3 LYS 92 6.553 9.607 -6.284 518 HZ1 LYS 92 HZ1 LYS 92 8.064 11.161 -7.300 519 HZ2 LYS 92 HZ2 LYS 92 7.378 12.457 -6.577 520 HZ3 LYS 92 HZ3 LYS 92 6.553 11.636 -7.733 521 H MET 93 H MET 93 3.721 7.985 -3.589 522 HA MET 93 HA MET 93 2.014 6.505 -1.763 523 HB2 MET 93 HB2 MET 93 2.862 5.609 -3.939 524 HB3 MET 93 HB3 MET 93 4.494 5.587 -3.270 525 HG2 MET 93 HG2 MET 93 3.413 4.051 -1.399 526 HG3 MET 93 HG3 MET 93 2.075 3.926 -2.522 527 HE1 MET 93 HE1 MET 93 6.252 1.962 -2.894 528 HE2 MET 93 HE2 MET 93 5.537 2.679 -1.435 529 HE3 MET 93 HE3 MET 93 6.132 3.727 -2.745 530 H TYR 94 H TYR 94 2.764 7.973 0.160 531 HA TYR 94 HA TYR 94 5.311 7.677 1.273 532 HB2 TYR 94 HB2 TYR 94 3.753 9.348 2.104 533 HB3 TYR 94 HB3 TYR 94 2.663 8.105 2.683 534 HD1 TYR 94 HD1 TYR 94 6.374 8.723 2.975 535 HD2 TYR 94 HD2 TYR 94 2.684 7.870 5.041 536 HE1 TYR 94 HE1 TYR 94 7.614 8.491 5.098 537 HE2 TYR 94 HE2 TYR 94 3.929 7.659 7.174 538 HH TYR 94 HH TYR 94 7.512 7.953 7.280 539 H LYS 95 H LYS 95 2.514 5.442 1.868 540 HA LYS 95 HA LYS 95 4.455 3.345 2.559 541 HB2 LYS 95 HB2 LYS 95 3.921 4.923 4.622 542 HB3 LYS 95 HB3 LYS 95 2.412 4.028 4.701 543 HG2 LYS 95 HG2 LYS 95 3.600 1.954 5.097 544 HG3 LYS 95 HG3 LYS 95 5.163 2.680 4.694 545 HD2 LYS 95 HD2 LYS 95 3.446 3.699 6.964 546 HD3 LYS 95 HD3 LYS 95 4.598 2.370 7.190 547 HE2 LYS 95 HE2 LYS 95 6.447 3.868 6.504 548 HE3 LYS 95 HE3 LYS 95 5.303 5.196 6.257 549 HZ1 LYS 95 HZ1 LYS 95 6.378 5.283 8.483 550 HZ2 LYS 95 HZ2 LYS 95 5.729 3.822 8.861 551 HZ3 LYS 95 HZ3 LYS 95 4.758 5.112 8.617 552 H THR 96 H THR 96 3.594 1.235 2.655 553 HA THR 96 HA THR 96 0.662 0.873 2.168 554 HB THR 96 HB THR 96 2.771 -0.768 0.712 555 HG1 THR 96 HG1 THR 96 2.613 1.413 0.195 556 HG21 THR 96 HG21 THR 96 0.813 -1.336 -0.781 557 HG22 THR 96 HG22 THR 96 -0.253 -0.556 0.391 558 HG23 THR 96 HG23 THR 96 0.663 -2.001 0.842 559 H TYR 97 H TYR 97 -0.191 -0.958 2.922 560 HA TYR 97 HA TYR 97 1.472 -2.856 4.546 561 HB2 TYR 97 HB2 TYR 97 -1.254 -1.717 5.253 562 HB3 TYR 97 HB3 TYR 97 -0.410 -2.944 6.137 563 HD1 TYR 97 HD1 TYR 97 1.850 -2.383 7.212 564 HD2 TYR 97 HD2 TYR 97 -0.903 0.581 5.714 565 HE1 TYR 97 HE1 TYR 97 2.920 -0.660 8.658 566 HE2 TYR 97 HE2 TYR 97 0.141 2.281 7.208 567 HH TYR 97 HH TYR 97 1.599 2.672 8.878 568 H PHE 98 H PHE 98 0.857 -5.013 4.436 569 HA PHE 98 HA PHE 98 -1.328 -5.823 2.539 570 HB2 PHE 98 HB2 PHE 98 1.528 -6.803 2.713 571 HB3 PHE 98 HB3 PHE 98 0.297 -7.526 1.713 572 HD1 PHE 98 HD1 PHE 98 2.405 -4.458 2.132 573 HD2 PHE 98 HD2 PHE 98 -0.209 -6.717 -0.442 574 HE1 PHE 98 HE1 PHE 98 3.178 -3.138 0.163 575 HE2 PHE 98 HE2 PHE 98 0.652 -5.465 -2.413 576 HZ PHE 98 HZ PHE 98 2.379 -3.722 -2.108 577 H PHE 99 H PHE 99 -2.274 -7.826 2.896 578 HA PHE 99 HA PHE 99 -1.887 -8.946 5.654 579 HB2 PHE 99 HB2 PHE 99 -4.480 -8.539 4.114 580 HB3 PHE 99 HB3 PHE 99 -4.312 -9.046 5.786 581 HD1 PHE 99 HD1 PHE 99 -3.718 -6.177 3.443 582 HD2 PHE 99 HD2 PHE 99 -4.298 -7.386 7.530 583 HE1 PHE 99 HE1 PHE 99 -3.690 -3.836 4.124 584 HE2 PHE 99 HE2 PHE 99 -4.291 -4.994 8.219 585 HZ PHE 99 HZ PHE 99 -3.889 -3.221 6.542 586 H LYS 100 H LYS 100 -1.898 -11.187 5.893 587 HA LYS 100 HA LYS 100 -2.041 -12.889 3.495 588 HB2 LYS 100 HB2 LYS 100 -1.811 -13.629 6.406 589 HB3 LYS 100 HB3 LYS 100 -1.741 -14.756 5.033 590 HG2 LYS 100 HG2 LYS 100 0.335 -14.261 4.446 591 HG3 LYS 100 HG3 LYS 100 0.222 -12.543 4.807 592 HD2 LYS 100 HD2 LYS 100 0.453 -12.992 7.203 593 HD3 LYS 100 HD3 LYS 100 0.417 -14.746 6.908 594 HE2 LYS 100 HE2 LYS 100 2.478 -14.498 5.479 595 HE3 LYS 100 HE3 LYS 100 2.578 -12.805 5.983 596 HZ1 LYS 100 HZ1 LYS 100 3.944 -14.373 7.338 597 HZ2 LYS 100 HZ2 LYS 100 2.586 -15.104 7.872 598 HZ3 LYS 100 HZ3 LYS 100 2.865 -13.528 8.242 599 H LYS 101 H LYS 101 -3.517 -14.604 3.161 600 HA LYS 101 HA LYS 101 -6.155 -13.721 3.095 601 HB2 LYS 101 HB2 LYS 101 -6.783 -15.961 2.309 602 HB3 LYS 101 HB3 LYS 101 -5.447 -15.176 1.477 603 HG2 LYS 101 HG2 LYS 101 -3.824 -16.637 2.682 604 HG3 LYS 101 HG3 LYS 101 -5.177 -17.438 3.486 605 HD2 LYS 101 HD2 LYS 101 -4.312 -18.750 1.598 606 HD3 LYS 101 HD3 LYS 101 -6.002 -18.306 1.381 607 HE2 LYS 101 HE2 LYS 101 -5.284 -16.430 -0.127 608 HE3 LYS 101 HE3 LYS 101 -3.603 -16.962 0.036 609 HZ1 LYS 101 HZ1 LYS 101 -4.255 -19.068 -1.003 610 HZ2 LYS 101 HZ2 LYS 101 -4.729 -17.842 -1.992 611 HZ3 LYS 101 HZ3 LYS 101 -5.810 -18.643 -1.048 612 H GLY 102 H GLY 102 -7.585 -13.324 4.484 613 HA2 GLY 102 HA2 GLY 102 -9.225 -13.959 6.084 614 HA3 GLY 102 HA3 GLY 102 -8.108 -15.107 6.817 615 H GLU 103 H GLU 103 -6.065 -12.599 6.604 616 HA GLU 103 HA GLU 103 -6.458 -11.931 9.427 617 HB2 GLU 103 HB2 GLU 103 -4.351 -11.077 7.401 618 HB3 GLU 103 HB3 GLU 103 -4.261 -10.756 9.121 619 HG2 GLU 103 HG2 GLU 103 -4.386 -13.602 8.022 620 HG3 GLU 103 HG3 GLU 103 -2.893 -12.700 8.210 621 H SER 104 H SER 104 -6.256 -9.734 10.284 622 HA SER 104 HA SER 104 -7.087 -7.532 8.445 623 HB2 SER 104 HB2 SER 104 -8.704 -6.675 9.919 624 HB3 SER 104 HB3 SER 104 -9.140 -8.325 9.495 625 HG SER 104 HG SER 104 -8.399 -8.989 11.548 626 H LYS 105 H LYS 105 -4.602 -8.388 9.916 627 HA LYS 105 HA LYS 105 -3.741 -5.612 10.358 628 HB2 LYS 105 HB2 LYS 105 -4.136 -6.553 12.594 629 HB3 LYS 105 HB3 LYS 105 -3.033 -7.892 12.205 630 HG2 LYS 105 HG2 LYS 105 -1.160 -6.475 12.261 631 HG3 LYS 105 HG3 LYS 105 -2.098 -5.002 12.270 632 HD2 LYS 105 HD2 LYS 105 -1.320 -5.438 14.558 633 HD3 LYS 105 HD3 LYS 105 -3.065 -5.639 14.500 634 HE2 LYS 105 HE2 LYS 105 -2.550 -8.165 14.082 635 HE3 LYS 105 HE3 LYS 105 -0.923 -7.756 14.641 636 HZ1 LYS 105 HZ1 LYS 105 -2.240 -8.506 16.495 637 HZ2 LYS 105 HZ2 LYS 105 -3.471 -7.459 16.162 638 HZ3 LYS 105 HZ3 LYS 105 -2.016 -6.891 16.689 639 H SER 106 H SER 106 -1.801 -5.250 9.363 640 HA SER 106 HA SER 106 -1.219 -7.122 7.278 641 HB2 SER 106 HB2 SER 106 0.451 -5.538 6.506 642 HB3 SER 106 HB3 SER 106 -1.051 -4.742 6.992 643 HG SER 106 HG SER 106 1.489 -4.786 8.293 644 H SER 107 H SER 107 0.756 -8.038 6.642 645 HA SER 107 HA SER 107 2.751 -8.672 8.789 646 HB2 SER 107 HB2 SER 107 1.371 -10.647 8.405 647 HB3 SER 107 HB3 SER 107 1.595 -10.517 6.660 648 HG SER 107 HG SER 107 3.785 -10.840 8.444 649 H TYR 108 H TYR 108 2.241 -7.371 5.664 650 HA TYR 108 HA TYR 108 5.177 -7.106 5.389 651 HB2 TYR 108 HB2 TYR 108 4.224 -8.839 3.743 652 HB3 TYR 108 HB3 TYR 108 3.500 -7.487 2.904 653 HD1 TYR 108 HD1 TYR 108 6.612 -9.009 4.049 654 HD2 TYR 108 HD2 TYR 108 4.913 -6.072 1.422 655 HE1 TYR 108 HE1 TYR 108 8.785 -8.869 2.799 656 HE2 TYR 108 HE2 TYR 108 7.112 -5.935 0.186 657 HH TYR 108 HH TYR 108 9.323 -6.712 0.055 658 H VAL 109 H VAL 109 5.852 -5.207 4.671 659 HA VAL 109 HA VAL 109 3.972 -3.012 4.068 660 HB VAL 109 HB VAL 109 3.818 -2.839 6.250 661 HG11 VAL 109 HG11 VAL 109 5.794 -3.031 7.929 662 HG12 VAL 109 HG12 VAL 109 6.566 -3.877 6.556 663 HG13 VAL 109 HG13 VAL 109 5.074 -4.496 7.242 664 HG21 VAL 109 HG21 VAL 109 6.209 -1.074 6.004 665 HG22 VAL 109 HG22 VAL 109 4.962 -1.029 7.263 666 HG23 VAL 109 HG23 VAL 109 4.521 -0.662 5.596 667 H ILE 110 H ILE 110 4.849 -1.197 3.263 668 HA ILE 110 HA ILE 110 7.692 -1.327 2.353 669 HB ILE 110 HB ILE 110 5.310 -1.010 0.529 670 HG12 ILE 110 HG12 ILE 110 6.746 -3.548 1.289 671 HG13 ILE 110 HG13 ILE 110 5.037 -3.236 1.267 672 HG21 ILE 110 HG21 ILE 110 8.224 -1.673 -0.101 673 HG22 ILE 110 HG22 ILE 110 7.523 -0.044 -0.207 674 HG23 ILE 110 HG23 ILE 110 6.953 -1.314 -1.281 675 HD11 ILE 110 HD11 ILE 110 5.440 -4.683 -0.525 676 HD12 ILE 110 HD12 ILE 110 6.886 -3.789 -1.031 677 HD13 ILE 110 HD13 ILE 110 5.251 -3.094 -1.293 678 H ASN 111 H ASN 111 8.511 0.521 2.923 679 HA ASN 111 HA ASN 111 6.920 2.980 3.289 680 HB2 ASN 111 HB2 ASN 111 9.925 2.505 3.474 681 HB3 ASN 111 HB3 ASN 111 9.051 3.908 4.075 682 HD21 ASN 111 HD21 ASN 111 10.756 1.663 5.397 683 HD22 ASN 111 HD22 ASN 111 9.737 1.170 6.744 684 H GLY 112 H GLY 112 7.162 4.835 1.997 685 HA2 GLY 112 HA2 GLY 112 8.808 4.667 -0.479 686 HA3 GLY 112 HA3 GLY 112 7.057 4.632 -0.651 687 HA PRO 113 HA PRO 113 8.853 8.945 -0.764 688 HB2 PRO 113 HB2 PRO 113 7.863 9.799 -3.142 689 HB3 PRO 113 HB3 PRO 113 9.266 8.718 -3.025 690 HG2 PRO 113 HG2 PRO 113 6.392 7.830 -3.453 691 HG3 PRO 113 HG3 PRO 113 7.806 7.482 -4.478 692 HD2 PRO 113 HD2 PRO 113 6.977 5.782 -2.539 693 HD3 PRO 113 HD3 PRO 113 8.733 6.068 -2.754 694 H GLY 114 H GLY 114 7.895 10.408 0.420 695 HA2 GLY 114 HA2 GLY 114 5.701 11.924 -0.118 696 HA3 GLY 114 HA3 GLY 114 4.990 10.616 0.811 697 H LYS 115 H LYS 115 7.710 10.603 2.381 698 HA LYS 115 HA LYS 115 8.439 11.165 4.407 699 HB2 LYS 115 HB2 LYS 115 9.003 13.272 3.215 700 HB3 LYS 115 HB3 LYS 115 7.484 13.979 3.776 701 HG2 LYS 115 HG2 LYS 115 8.247 13.638 6.147 702 HG3 LYS 115 HG3 LYS 115 9.791 13.024 5.526 703 HD2 LYS 115 HD2 LYS 115 10.218 15.220 4.469 704 HD3 LYS 115 HD3 LYS 115 8.619 15.783 5.009 705 HE2 LYS 115 HE2 LYS 115 9.309 15.319 7.373 706 HE3 LYS 115 HE3 LYS 115 10.927 14.895 6.787 707 HZ1 LYS 115 HZ1 LYS 115 9.624 17.558 6.489 708 HZ2 LYS 115 HZ2 LYS 115 11.133 17.182 5.941 709 HZ3 LYS 115 HZ3 LYS 115 10.813 17.192 7.559 710 H THR 116 H THR 116 5.065 12.162 3.949 711 HA THR 116 HA THR 116 4.282 11.395 6.654 712 HB THR 116 HB THR 116 5.237 13.638 7.064 713 HG1 THR 116 HG1 THR 116 3.544 14.395 8.117 714 HG21 THR 116 HG21 THR 116 3.198 14.687 5.044 715 HG22 THR 116 HG22 THR 116 4.966 14.715 4.861 716 HG23 THR 116 HG23 THR 116 4.189 15.667 6.135 717 H ASN 117 H ASN 117 1.922 11.412 6.848 718 HA ASN 117 HA ASN 117 0.567 11.253 4.238 719 HB2 ASN 117 HB2 ASN 117 -0.321 10.694 7.108 720 HB3 ASN 117 HB3 ASN 117 -1.354 10.555 5.685 721 HD21 ASN 117 HD21 ASN 117 -0.332 9.287 3.831 722 HD22 ASN 117 HD22 ASN 117 0.575 7.839 4.277 723 H GLU 118 H GLU 118 0.814 13.654 6.807 724 HA GLU 118 HA GLU 118 -1.785 14.635 6.538 725 HB2 GLU 118 HB2 GLU 118 -1.169 16.368 8.053 726 HB3 GLU 118 HB3 GLU 118 -0.291 14.905 8.498 727 HG2 GLU 118 HG2 GLU 118 1.721 15.824 7.253 728 HG3 GLU 118 HG3 GLU 118 0.813 17.306 6.977 729 H TYR 119 H TYR 119 0.591 15.286 4.352 730 HA TYR 119 HA TYR 119 0.371 16.621 2.347 731 HB2 TYR 119 HB2 TYR 119 -1.592 17.867 2.995 732 HB3 TYR 119 HB3 TYR 119 -0.668 18.772 4.204 733 HD1 TYR 119 HD1 TYR 119 0.204 17.999 0.610 734 HD2 TYR 119 HD2 TYR 119 -0.779 20.993 3.548 735 HE1 TYR 119 HE1 TYR 119 0.844 19.778 -0.998 736 HE2 TYR 119 HE2 TYR 119 -0.225 22.780 1.899 737 HH TYR 119 HH TYR 119 1.216 21.988 -1.279 738 H ALA 120 H ALA 120 2.466 16.865 1.846 739 HA ALA 120 HA ALA 120 4.358 17.188 4.037 740 HB1 ALA 120 HB1 ALA 120 4.336 15.297 2.383 741 HB2 ALA 120 HB2 ALA 120 5.891 16.143 2.461 742 HB3 ALA 120 HB3 ALA 120 4.776 16.458 1.112 743 H TYR 121 H TYR 121 3.250 19.674 3.560 744 HA TYR 121 HA TYR 121 5.485 21.277 2.376 745 HB2 TYR 121 HB2 TYR 121 3.549 21.093 0.811 746 HB3 TYR 121 HB3 TYR 121 2.521 21.790 2.057 747 HD1 TYR 121 HD1 TYR 121 5.514 22.470 -0.080 748 HD2 TYR 121 HD2 TYR 121 2.326 24.151 2.266 749 HE1 TYR 121 HE1 TYR 121 6.080 24.731 -0.935 750 HE2 TYR 121 HE2 TYR 121 2.906 26.437 1.423 751 HH TYR 121 HH TYR 121 5.691 26.978 -0.765 752 H1 ACE 6 H1 ACE 6 12.313 5.707 -1.782 753 H2 ACE 6 H2 ACE 6 13.267 4.234 -1.573 754 H3 ACE 6 H3 ACE 6 11.985 4.277 -2.793 755 H THR 7 H THR 7 14.159 6.638 -4.796 756 HA THR 7 HA THR 7 11.566 6.960 -3.607 757 HB THR 7 HB THR 7 12.987 8.557 -5.091 758 HG1 THR 7 HG1 THR 7 11.135 9.169 -4.235 759 HG21 THR 7 HG21 THR 7 11.265 7.346 -7.292 760 HG22 THR 7 HG22 THR 7 13.024 7.109 -7.134 761 HG23 THR 7 HG23 THR 7 12.366 8.731 -7.405 762 H THR 8 H THR 8 12.676 4.552 -5.376 763 HA THR 8 HA THR 8 10.107 3.248 -5.257 764 HB THR 8 HB THR 8 10.347 4.138 -7.650 765 HG1 THR 8 HG1 THR 8 9.633 1.493 -7.762 766 HG21 THR 8 HG21 THR 8 11.983 1.607 -7.962 767 HG22 THR 8 HG22 THR 8 12.415 3.280 -8.432 768 HG23 THR 8 HG23 THR 8 11.116 2.432 -9.264 769 HA PRO 9 HA PRO 9 13.326 -0.133 -5.171 770 HB2 PRO 9 HB2 PRO 9 15.978 0.167 -5.081 771 HB3 PRO 9 HB3 PRO 9 14.980 0.317 -6.574 772 HG2 PRO 9 HG2 PRO 9 15.904 2.582 -4.776 773 HG3 PRO 9 HG3 PRO 9 16.215 2.397 -6.542 774 HD2 PRO 9 HD2 PRO 9 14.163 3.829 -5.626 775 HD3 PRO 9 HD3 PRO 9 13.977 2.796 -7.070 776 H ASP 10 H ASP 10 12.086 0.238 -3.328 777 HA ASP 10 HA ASP 10 13.727 -0.680 -1.063 778 HB2 ASP 10 HB2 ASP 10 13.182 1.742 -0.568 779 HB3 ASP 10 HB3 ASP 10 11.482 1.327 -0.542 780 HN2 TYS 11 HN2 TYS 11 13.100 -2.724 -1.610 781 HA TYS 11 HA TYS 11 10.315 -3.239 -2.417 782 HB2 TYS 11 HB2 TYS 11 12.914 -4.571 -3.140 783 HB3 TYS 11 HB3 TYS 11 11.482 -5.573 -3.097 784 HD1 TYS 11 HD1 TYS 11 9.771 -5.437 -4.700 785 HD2 TYS 11 HD2 TYS 11 12.521 -2.172 -4.294 786 HE1 TYS 11 HE1 TYS 11 8.782 -4.402 -6.590 787 HE2 TYS 11 HE2 TYS 11 11.265 -0.973 -6.007 788 H GLY 12 H GLY 12 10.582 -2.682 -0.172 789 HA2 GLY 12 HA2 GLY 12 9.109 -2.973 1.562 790 HA3 GLY 12 HA3 GLY 12 8.564 -4.394 0.687 791 H HIS 13 H HIS 13 8.391 -4.557 3.471 792 HA HIS 13 HA HIS 13 10.297 -6.741 4.035 793 HB2 HIS 13 HB2 HIS 13 10.824 -5.775 6.252 794 HB3 HIS 13 HB3 HIS 13 11.556 -4.875 4.920 795 HD1 HIS 13 HD1 HIS 13 10.380 -2.476 4.256 796 HD2 HIS 13 HD2 HIS 13 8.804 -4.474 7.623 797 HE1 HIS 13 HE1 HIS 13 8.409 -1.069 5.174 798 HE2 HIS 13 HE2 HIS 13 7.838 -2.045 7.471 799 HN2 TYS 14 HN2 TYS 14 9.693 -8.046 5.803 800 HA TYS 14 HA TYS 14 6.826 -7.978 6.472 801 HB2 TYS 14 HB2 TYS 14 9.047 -9.913 7.268 802 HB3 TYS 14 HB3 TYS 14 7.422 -10.004 7.879 803 HD1 TYS 14 HD1 TYS 14 9.311 -10.136 4.547 804 HD2 TYS 14 HD2 TYS 14 5.664 -11.068 6.664 805 HE1 TYS 14 HE1 TYS 14 8.720 -11.685 2.842 806 HE2 TYS 14 HE2 TYS 14 5.091 -12.672 4.928 807 H ASP 15 H ASP 15 5.950 -7.339 8.317 808 HA ASP 15 HA ASP 15 7.631 -6.849 10.660 809 HB2 ASP 15 HB2 ASP 15 7.505 -4.664 9.114 810 HB3 ASP 15 HB3 ASP 15 5.969 -4.466 9.871 811 H ASP 16 H ASP 16 6.418 -6.336 12.553 812 HA ASP 16 HA ASP 16 3.586 -7.308 12.587 813 HB2 ASP 16 HB2 ASP 16 5.884 -8.222 14.367 814 HB3 ASP 16 HB3 ASP 16 4.194 -8.673 14.586 815 H LYS 17 H LYS 17 5.689 -4.855 13.606 816 HA LYS 17 HA LYS 17 3.627 -3.868 15.546 817 HB2 LYS 17 HB2 LYS 17 5.345 -2.671 16.768 818 HB3 LYS 17 HB3 LYS 17 5.575 -4.425 16.848 819 HG2 LYS 17 HG2 LYS 17 7.411 -4.276 15.209 820 HG3 LYS 17 HG3 LYS 17 7.145 -2.533 15.041 821 HD2 LYS 17 HD2 LYS 17 7.686 -2.218 17.450 822 HD3 LYS 17 HD3 LYS 17 7.994 -3.963 17.594 823 HE2 LYS 17 HE2 LYS 17 9.807 -3.804 15.935 824 HE3 LYS 17 HE3 LYS 17 9.441 -2.098 15.662 825 HZ1 LYS 17 HZ1 LYS 17 11.315 -2.421 17.170 826 HZ2 LYS 17 HZ2 LYS 17 10.095 -1.610 17.897 827 HZ3 LYS 17 HZ3 LYS 17 10.350 -3.203 18.270 828 H ASP 18 H ASP 18 5.910 -3.056 12.970 829 HA ASP 18 HA ASP 18 4.415 -0.558 12.425 830 HB2 ASP 18 HB2 ASP 18 6.753 -1.909 11.045 831 HB3 ASP 18 HB3 ASP 18 5.881 -0.545 10.376 832 H THR 19 H THR 19 2.426 -1.809 12.517 833 HA THR 19 HA THR 19 1.653 -2.857 9.848 834 HB THR 19 HB THR 19 1.802 -4.932 11.173 835 HG1 THR 19 HG1 THR 19 0.155 -4.741 9.864 836 HG21 THR 19 HG21 THR 19 -0.022 -3.794 13.249 837 HG22 THR 19 HG22 THR 19 1.744 -3.918 13.468 838 HG23 THR 19 HG23 THR 19 0.795 -5.377 13.182 839 H LEU 20 H LEU 20 -0.545 -2.464 9.268 840 HA LEU 20 HA LEU 20 -2.027 -0.535 10.979 841 HB2 LEU 20 HB2 LEU 20 -1.765 0.227 8.645 842 HB3 LEU 20 HB3 LEU 20 -2.328 -1.357 8.067 843 HG LEU 20 HG LEU 20 -4.530 -0.913 9.094 844 HD11 LEU 20 HD11 LEU 20 -3.389 1.853 9.668 845 HD12 LEU 20 HD12 LEU 20 -3.989 0.682 10.865 846 HD13 LEU 20 HD13 LEU 20 -5.114 1.427 9.725 847 HD21 LEU 20 HD21 LEU 20 -3.483 1.220 7.174 848 HD22 LEU 20 HD22 LEU 20 -5.191 0.751 7.378 849 HD23 LEU 20 HD23 LEU 20 -4.018 -0.422 6.777 850 H ASP 21 H ASP 21 -3.396 -1.513 12.265 851 HA ASP 21 HA ASP 21 -4.677 -4.104 11.583 852 HB2 ASP 21 HB2 ASP 21 -5.950 -3.226 13.863 853 HB3 ASP 21 HB3 ASP 21 -4.771 -4.459 13.736 854 H LEU 22 H LEU 22 -6.240 -3.985 10.255 855 HA LEU 22 HA LEU 22 -7.982 -1.656 9.813 856 HB2 LEU 22 HB2 LEU 22 -7.579 -4.415 8.717 857 HB3 LEU 22 HB3 LEU 22 -9.218 -3.757 8.600 858 HG LEU 22 HG LEU 22 -8.526 -2.031 7.145 859 HD11 LEU 22 HD11 LEU 22 -6.518 -1.201 8.173 860 HD12 LEU 22 HD12 LEU 22 -6.118 -1.700 6.529 861 HD13 LEU 22 HD13 LEU 22 -5.660 -2.742 7.899 862 HD21 LEU 22 HD21 LEU 22 -6.798 -4.469 6.514 863 HD22 LEU 22 HD22 LEU 22 -7.360 -3.253 5.347 864 HD23 LEU 22 HD23 LEU 22 -8.535 -4.315 6.145 865 H ASN 23 H ASN 23 -8.033 -4.583 11.831 866 HA ASN 23 HA ASN 23 -10.369 -3.449 13.306 867 HB2 ASN 23 HB2 ASN 23 -10.241 -6.316 12.294 868 HB3 ASN 23 HB3 ASN 23 -11.527 -5.580 13.207 869 HD21 ASN 23 HD21 ASN 23 -9.948 -5.675 10.116 870 HD22 ASN 23 HD22 ASN 23 -11.285 -4.998 9.183 871 H THR 24 H THR 24 -7.325 -5.033 13.686 872 HA THR 24 HA THR 24 -8.145 -6.170 16.332 873 HB THR 24 HB THR 24 -8.357 -7.767 14.522 874 HG1 THR 24 HG1 THR 24 -8.069 -8.708 16.366 875 HG21 THR 24 HG21 THR 24 -5.329 -7.768 14.297 876 HG22 THR 24 HG22 THR 24 -6.402 -6.937 13.160 877 HG23 THR 24 HG23 THR 24 -6.505 -8.701 13.365 878 HA PRO 25 HA PRO 25 -4.014 -4.296 17.284 879 HB2 PRO 25 HB2 PRO 25 -4.954 -2.297 18.985 880 HB3 PRO 25 HB3 PRO 25 -4.455 -2.072 17.294 881 HG2 PRO 25 HG2 PRO 25 -7.206 -2.107 18.409 882 HG3 PRO 25 HG3 PRO 25 -6.589 -1.394 16.879 883 HD2 PRO 25 HD2 PRO 25 -8.015 -3.835 17.175 884 HD3 PRO 25 HD3 PRO 25 -7.240 -3.160 15.713 885 H VAL 26 H VAL 26 -3.048 -4.956 19.204 886 HA VAL 26 HA VAL 26 -4.617 -5.786 21.557 887 HB VAL 26 HB VAL 26 -4.981 -7.562 19.818 888 HG11 VAL 26 HG11 VAL 26 -2.710 -7.470 18.785 889 HG12 VAL 26 HG12 VAL 26 -3.235 -9.105 19.212 890 HG13 VAL 26 HG13 VAL 26 -2.055 -8.262 20.224 891 HG21 VAL 26 HG21 VAL 26 -4.671 -9.452 21.275 892 HG22 VAL 26 HG22 VAL 26 -5.166 -8.062 22.247 893 HG23 VAL 26 HG23 VAL 26 -3.468 -8.598 22.243 894 H ASP 27 H ASP 27 -3.498 -6.346 23.326 895 HA ASP 27 HA ASP 27 -0.525 -6.008 23.332 896 HB2 ASP 27 HB2 ASP 27 -2.661 -4.655 25.015 897 HB3 ASP 27 HB3 ASP 27 -1.052 -4.901 25.667 898 H LYS 28 H LYS 28 0.328 -6.645 25.490 899 HA LYS 28 HA LYS 28 -1.025 -8.954 26.808 900 HB2 LYS 28 HB2 LYS 28 0.471 -9.723 24.875 901 HB3 LYS 28 HB3 LYS 28 1.854 -9.212 25.837 902 HG2 LYS 28 HG2 LYS 28 1.240 -10.828 27.610 903 HG3 LYS 28 HG3 LYS 28 -0.280 -11.183 26.773 904 HD2 LYS 28 HD2 LYS 28 1.089 -11.969 24.789 905 HD3 LYS 28 HD3 LYS 28 2.527 -11.879 25.810 906 HE2 LYS 28 HE2 LYS 28 0.032 -13.482 26.547 907 HE3 LYS 28 HE3 LYS 28 1.311 -14.151 25.531 908 HZ1 LYS 28 HZ1 LYS 28 1.627 -14.772 27.820 909 HZ2 LYS 28 HZ2 LYS 28 2.875 -13.832 27.331 910 HZ3 LYS 28 HZ3 LYS 28 1.696 -13.207 28.320 911 HN1 NH2 29 HN1 NH2 29 -1.247 -6.902 28.207 912 HN2 NH2 29 HN2 NH2 29 0.010 -6.706 29.404 Start of MODEL 15 1 H1 ASN 31 H1 ASN 31 -3.385 16.774 -20.637 2 H2 ASN 31 H2 ASN 31 -3.392 18.140 -21.553 3 H3 ASN 31 H3 ASN 31 -2.019 17.696 -20.769 4 HA ASN 31 HA ASN 31 -3.335 16.245 -22.950 5 HB2 ASN 31 HB2 ASN 31 -0.850 17.976 -22.977 6 HB3 ASN 31 HB3 ASN 31 -1.208 16.759 -24.207 7 HD21 ASN 31 HD21 ASN 31 -1.162 18.958 -25.527 8 HD22 ASN 31 HD22 ASN 31 -2.789 19.597 -25.754 9 H SER 32 H SER 32 -0.472 16.103 -20.699 10 HA SER 32 HA SER 32 -0.557 13.153 -20.942 11 HB2 SER 32 HB2 SER 32 1.860 13.075 -21.583 12 HB3 SER 32 HB3 SER 32 0.811 13.742 -22.842 13 HG SER 32 HG SER 32 2.714 14.977 -22.552 14 H GLY 33 H GLY 33 0.922 12.033 -19.501 15 HA2 GLY 33 HA2 GLY 33 2.762 13.095 -17.791 16 HA3 GLY 33 HA3 GLY 33 1.269 13.293 -16.870 17 H LEU 34 H LEU 34 3.337 11.865 -15.883 18 HA LEU 34 HA LEU 34 3.100 9.019 -16.385 19 HB2 LEU 34 HB2 LEU 34 4.584 10.617 -14.265 20 HB3 LEU 34 HB3 LEU 34 4.804 8.891 -14.545 21 HG LEU 34 HG LEU 34 5.348 11.040 -16.653 22 HD11 LEU 34 HD11 LEU 34 7.707 10.704 -16.193 23 HD12 LEU 34 HD12 LEU 34 7.319 9.548 -14.907 24 HD13 LEU 34 HD13 LEU 34 6.870 11.262 -14.739 25 HD21 LEU 34 HD21 LEU 34 6.055 8.079 -16.561 26 HD22 LEU 34 HD22 LEU 34 6.623 9.237 -17.781 27 HD23 LEU 34 HD23 LEU 34 4.904 8.856 -17.675 28 HA PRO 35 HA PRO 35 -0.231 7.898 -13.913 29 HB2 PRO 35 HB2 PRO 35 1.372 5.712 -12.653 30 HB3 PRO 35 HB3 PRO 35 -0.244 5.636 -13.413 31 HG2 PRO 35 HG2 PRO 35 1.957 4.794 -14.763 32 HG3 PRO 35 HG3 PRO 35 0.694 5.755 -15.596 33 HD2 PRO 35 HD2 PRO 35 3.363 6.690 -14.537 34 HD3 PRO 35 HD3 PRO 35 2.524 7.103 -16.052 35 H THR 36 H THR 36 -1.235 8.627 -12.173 36 HA THR 36 HA THR 36 -0.221 7.947 -9.490 37 HB THR 36 HB THR 36 0.505 10.207 -9.590 38 HG1 THR 36 HG1 THR 36 -1.945 10.150 -8.249 39 HG21 THR 36 HG21 THR 36 -1.085 12.107 -9.869 40 HG22 THR 36 HG22 THR 36 -2.331 10.960 -10.411 41 HG23 THR 36 HG23 THR 36 -0.853 11.187 -11.363 42 H THR 37 H THR 37 -1.953 6.476 -10.954 43 HA THR 37 HA THR 37 -4.531 6.913 -9.533 44 HB THR 37 HB THR 37 -5.618 5.638 -11.334 45 HG1 THR 37 HG1 THR 37 -4.522 5.119 -13.130 46 HG21 THR 37 HG21 THR 37 -5.583 8.113 -11.497 47 HG22 THR 37 HG22 THR 37 -5.556 7.339 -13.093 48 HG23 THR 37 HG23 THR 37 -4.070 8.025 -12.421 49 H LEU 38 H LEU 38 -5.610 5.101 -8.687 50 HA LEU 38 HA LEU 38 -3.880 3.561 -7.166 51 HB2 LEU 38 HB2 LEU 38 -6.202 4.343 -6.620 52 HB3 LEU 38 HB3 LEU 38 -6.807 3.205 -7.841 53 HG LEU 38 HG LEU 38 -6.091 1.363 -6.672 54 HD11 LEU 38 HD11 LEU 38 -5.258 1.463 -4.303 55 HD12 LEU 38 HD12 LEU 38 -5.052 3.214 -4.488 56 HD13 LEU 38 HD13 LEU 38 -4.089 2.073 -5.471 57 HD21 LEU 38 HD21 LEU 38 -7.637 3.237 -4.852 58 HD22 LEU 38 HD22 LEU 38 -7.633 1.461 -4.729 59 HD23 LEU 38 HD23 LEU 38 -8.309 2.247 -6.163 60 H GLY 39 H GLY 39 -5.706 2.527 -10.075 61 HA2 GLY 39 HA2 GLY 39 -5.047 -0.231 -9.877 62 HA3 GLY 39 HA3 GLY 39 -5.629 0.578 -11.302 63 H LYS 40 H LYS 40 -3.290 2.483 -11.298 64 HA LYS 40 HA LYS 40 -1.304 0.729 -12.659 65 HB2 LYS 40 HB2 LYS 40 -1.625 3.753 -12.505 66 HB3 LYS 40 HB3 LYS 40 -0.311 2.915 -13.356 67 HG2 LYS 40 HG2 LYS 40 -1.992 1.692 -14.727 68 HG3 LYS 40 HG3 LYS 40 -3.294 2.601 -13.959 69 HD2 LYS 40 HD2 LYS 40 -2.462 4.687 -14.905 70 HD3 LYS 40 HD3 LYS 40 -1.063 3.853 -15.616 71 HE2 LYS 40 HE2 LYS 40 -2.451 2.535 -17.079 72 HE3 LYS 40 HE3 LYS 40 -3.932 3.035 -16.252 73 HZ1 LYS 40 HZ1 LYS 40 -3.491 4.220 -18.397 74 HZ2 LYS 40 HZ2 LYS 40 -2.213 4.973 -17.689 75 HZ3 LYS 40 HZ3 LYS 40 -3.743 5.200 -17.108 76 H LEU 41 H LEU 41 -1.641 2.613 -9.692 77 HA LEU 41 HA LEU 41 1.046 2.102 -8.730 78 HB2 LEU 41 HB2 LEU 41 -0.647 3.792 -7.812 79 HB3 LEU 41 HB3 LEU 41 -1.521 2.422 -7.136 80 HG LEU 41 HG LEU 41 0.836 1.810 -6.052 81 HD11 LEU 41 HD11 LEU 41 2.163 3.797 -5.513 82 HD12 LEU 41 HD12 LEU 41 1.105 4.817 -6.497 83 HD13 LEU 41 HD13 LEU 41 2.116 3.567 -7.262 84 HD21 LEU 41 HD21 LEU 41 0.262 3.004 -4.083 85 HD22 LEU 41 HD22 LEU 41 -1.235 2.465 -4.854 86 HD23 LEU 41 HD23 LEU 41 -0.741 4.170 -4.990 87 H ASP 42 H ASP 42 -2.080 0.318 -8.378 88 HA ASP 42 HA ASP 42 -1.183 -1.885 -6.870 89 HB2 ASP 42 HB2 ASP 42 -3.504 -1.612 -7.221 90 HB3 ASP 42 HB3 ASP 42 -3.326 -1.487 -8.962 91 H GLU 43 H GLU 43 -0.778 -1.419 -10.377 92 HA GLU 43 HA GLU 43 0.255 -4.052 -10.859 93 HB2 GLU 43 HB2 GLU 43 -0.627 -2.355 -12.545 94 HB3 GLU 43 HB3 GLU 43 0.930 -1.536 -12.434 95 HG2 GLU 43 HG2 GLU 43 2.086 -3.549 -13.237 96 HG3 GLU 43 HG3 GLU 43 0.589 -4.492 -13.137 97 H ARG 44 H ARG 44 1.839 -1.020 -9.863 98 HA ARG 44 HA ARG 44 4.540 -2.167 -9.768 99 HB2 ARG 44 HB2 ARG 44 3.232 0.365 -8.744 100 HB3 ARG 44 HB3 ARG 44 4.731 -0.179 -7.993 101 HG2 ARG 44 HG2 ARG 44 5.838 -0.263 -10.196 102 HG3 ARG 44 HG3 ARG 44 4.347 0.282 -10.987 103 HD2 ARG 44 HD2 ARG 44 4.442 2.409 -9.792 104 HD3 ARG 44 HD3 ARG 44 5.840 1.865 -8.851 105 HE ARG 44 HE ARG 44 6.600 1.617 -11.541 106 HH11 ARG 44 HH11 ARG 44 5.861 4.275 -9.314 107 HH12 ARG 44 HH12 ARG 44 6.934 5.340 -10.192 108 HH21 ARG 44 HH21 ARG 44 7.993 3.202 -12.532 109 HH22 ARG 44 HH22 ARG 44 7.939 4.818 -11.861 110 H LEU 45 H LEU 45 2.060 -1.577 -7.197 111 HA LEU 45 HA LEU 45 3.542 -2.842 -5.171 112 HB2 LEU 45 HB2 LEU 45 0.568 -2.435 -5.560 113 HB3 LEU 45 HB3 LEU 45 1.230 -3.110 -4.078 114 HG LEU 45 HG LEU 45 2.093 -0.398 -5.188 115 HD11 LEU 45 HD11 LEU 45 0.031 -1.075 -3.064 116 HD12 LEU 45 HD12 LEU 45 -0.281 -0.327 -4.646 117 HD13 LEU 45 HD13 LEU 45 0.656 0.548 -3.417 118 HD21 LEU 45 HD21 LEU 45 3.744 -1.364 -3.652 119 HD22 LEU 45 HD22 LEU 45 2.460 -1.732 -2.468 120 HD23 LEU 45 HD23 LEU 45 2.880 -0.064 -2.844 121 H ARG 46 H ARG 46 1.402 -4.445 -7.507 122 HA ARG 46 HA ARG 46 1.604 -7.092 -6.315 123 HB2 ARG 46 HB2 ARG 46 0.815 -6.039 -9.059 124 HB3 ARG 46 HB3 ARG 46 0.882 -7.761 -8.703 125 HG2 ARG 46 HG2 ARG 46 -0.750 -7.520 -6.881 126 HG3 ARG 46 HG3 ARG 46 -0.838 -5.772 -7.158 127 HD2 ARG 46 HD2 ARG 46 -1.598 -6.221 -9.497 128 HD3 ARG 46 HD3 ARG 46 -1.591 -7.952 -9.155 129 HE ARG 46 HE ARG 46 -3.402 -5.866 -7.980 130 HH11 ARG 46 HH11 ARG 46 -2.810 -9.331 -8.284 131 HH12 ARG 46 HH12 ARG 46 -4.532 -9.703 -8.229 132 HH21 ARG 46 HH21 ARG 46 -5.517 -6.453 -7.947 133 HH22 ARG 46 HH22 ARG 46 -6.017 -8.110 -7.964 134 H ASN 47 H ASN 47 3.732 -5.254 -8.495 135 HA ASN 47 HA ASN 47 5.492 -7.590 -9.004 136 HB2 ASN 47 HB2 ASN 47 5.567 -4.618 -9.636 137 HB3 ASN 47 HB3 ASN 47 7.021 -5.578 -9.696 138 HD21 ASN 47 HD21 ASN 47 4.078 -4.807 -11.379 139 HD22 ASN 47 HD22 ASN 47 4.547 -5.724 -12.812 140 H TYR 48 H TYR 48 5.468 -4.721 -6.840 141 HA TYR 48 HA TYR 48 7.881 -5.196 -5.505 142 HB2 TYR 48 HB2 TYR 48 5.289 -3.941 -4.523 143 HB3 TYR 48 HB3 TYR 48 6.808 -3.852 -3.711 144 HD1 TYR 48 HD1 TYR 48 6.997 -3.348 -7.414 145 HD2 TYR 48 HD2 TYR 48 6.591 -1.497 -3.545 146 HE1 TYR 48 HE1 TYR 48 7.545 -1.205 -8.392 147 HE2 TYR 48 HE2 TYR 48 7.335 0.647 -4.507 148 HH TYR 48 HH TYR 48 8.087 0.943 -8.019 149 H LEU 49 H LEU 49 4.684 -6.693 -4.928 150 HA LEU 49 HA LEU 49 5.533 -8.120 -2.568 151 HB2 LEU 49 HB2 LEU 49 3.187 -8.072 -4.398 152 HB3 LEU 49 HB3 LEU 49 3.553 -9.693 -3.857 153 HG LEU 49 HG LEU 49 3.067 -7.329 -2.021 154 HD11 LEU 49 HD11 LEU 49 0.961 -8.565 -1.501 155 HD12 LEU 49 HD12 LEU 49 1.356 -9.757 -2.747 156 HD13 LEU 49 HD13 LEU 49 1.031 -8.069 -3.202 157 HD21 LEU 49 HD21 LEU 49 2.898 -9.030 -0.228 158 HD22 LEU 49 HD22 LEU 49 4.508 -8.957 -0.916 159 HD23 LEU 49 HD23 LEU 49 3.429 -10.285 -1.374 160 H LYS 50 H LYS 50 5.332 -9.330 -5.979 161 HA LYS 50 HA LYS 50 6.432 -11.909 -5.291 162 HB2 LYS 50 HB2 LYS 50 6.523 -10.433 -7.952 163 HB3 LYS 50 HB3 LYS 50 6.922 -12.139 -7.672 164 HG2 LYS 50 HG2 LYS 50 4.639 -12.623 -6.976 165 HG3 LYS 50 HG3 LYS 50 4.169 -10.933 -7.212 166 HD2 LYS 50 HD2 LYS 50 5.189 -12.856 -9.353 167 HD3 LYS 50 HD3 LYS 50 3.500 -12.398 -9.101 168 HE2 LYS 50 HE2 LYS 50 4.059 -10.026 -9.612 169 HE3 LYS 50 HE3 LYS 50 5.750 -10.474 -9.880 170 HZ1 LYS 50 HZ1 LYS 50 3.454 -11.529 -11.444 171 HZ2 LYS 50 HZ2 LYS 50 5.044 -11.902 -11.687 172 HZ3 LYS 50 HZ3 LYS 50 4.480 -10.358 -11.944 173 H LYS 51 H LYS 51 7.969 -8.959 -6.484 174 HA LYS 51 HA LYS 51 10.668 -10.084 -6.589 175 HB2 LYS 51 HB2 LYS 51 9.608 -7.258 -6.775 176 HB3 LYS 51 HB3 LYS 51 11.258 -7.764 -7.193 177 HG2 LYS 51 HG2 LYS 51 10.491 -9.042 -9.073 178 HG3 LYS 51 HG3 LYS 51 8.799 -8.865 -8.588 179 HD2 LYS 51 HD2 LYS 51 8.778 -7.242 -10.148 180 HD3 LYS 51 HD3 LYS 51 9.321 -6.284 -8.781 181 HE2 LYS 51 HE2 LYS 51 10.765 -5.657 -10.533 182 HE3 LYS 51 HE3 LYS 51 11.739 -6.809 -9.602 183 HZ1 LYS 51 HZ1 LYS 51 10.218 -7.399 -12.097 184 HZ2 LYS 51 HZ2 LYS 51 11.842 -7.283 -11.989 185 HZ3 LYS 51 HZ3 LYS 51 11.081 -8.522 -11.260 186 H GLY 52 H GLY 52 8.726 -8.727 -4.016 187 HA2 GLY 52 HA2 GLY 52 11.103 -7.862 -2.493 188 HA3 GLY 52 HA3 GLY 52 9.407 -7.587 -2.105 189 H THR 53 H THR 53 8.335 -10.145 -2.169 190 HA THR 53 HA THR 53 9.304 -11.098 0.456 191 HB THR 53 HB THR 53 7.145 -12.011 0.734 192 HG1 THR 53 HG1 THR 53 6.603 -11.216 -1.971 193 HG21 THR 53 HG21 THR 53 5.716 -10.119 0.707 194 HG22 THR 53 HG22 THR 53 6.699 -9.317 -0.551 195 HG23 THR 53 HG23 THR 53 7.356 -9.575 1.072 196 H LYS 54 H LYS 54 9.311 -13.377 0.952 197 HA LYS 54 HA LYS 54 10.600 -14.941 -1.067 198 HB2 LYS 54 HB2 LYS 54 9.517 -15.751 1.660 199 HB3 LYS 54 HB3 LYS 54 10.550 -16.752 0.642 200 HG2 LYS 54 HG2 LYS 54 12.349 -15.169 0.739 201 HG3 LYS 54 HG3 LYS 54 11.373 -13.957 1.569 202 HD2 LYS 54 HD2 LYS 54 11.182 -15.282 3.554 203 HD3 LYS 54 HD3 LYS 54 11.960 -16.677 2.794 204 HE2 LYS 54 HE2 LYS 54 13.274 -13.937 3.108 205 HE3 LYS 54 HE3 LYS 54 13.448 -15.245 4.285 206 HZ1 LYS 54 HZ1 LYS 54 14.336 -16.641 2.481 207 HZ2 LYS 54 HZ2 LYS 54 14.342 -15.370 1.446 208 HZ3 LYS 54 HZ3 LYS 54 15.301 -15.365 2.801 209 H ASN 55 H ASN 55 7.270 -14.871 0.119 210 HA ASN 55 HA ASN 55 6.406 -16.030 -2.426 211 HB2 ASN 55 HB2 ASN 55 6.565 -18.049 -1.026 212 HB3 ASN 55 HB3 ASN 55 5.767 -17.209 0.308 213 HD21 ASN 55 HD21 ASN 55 4.075 -18.634 0.539 214 HD22 ASN 55 HD22 ASN 55 2.873 -18.922 -0.717 215 H SER 56 H SER 56 5.082 -14.567 -3.159 216 HA SER 56 HA SER 56 3.556 -12.780 -1.452 217 HB2 SER 56 HB2 SER 56 2.751 -11.846 -3.590 218 HB3 SER 56 HB3 SER 56 4.521 -11.949 -3.492 219 HG SER 56 HG SER 56 4.502 -13.732 -4.813 220 H ALA 57 H ALA 57 2.802 -15.926 -2.813 221 HA ALA 57 HA ALA 57 0.066 -15.478 -3.419 222 HB1 ALA 57 HB1 ALA 57 -0.082 -17.912 -3.560 223 HB2 ALA 57 HB2 ALA 57 1.444 -18.091 -2.673 224 HB3 ALA 57 HB3 ALA 57 1.427 -17.355 -4.294 225 H GLN 58 H GLN 58 1.478 -15.785 -0.296 226 HA GLN 58 HA GLN 58 -0.849 -16.796 1.113 227 HB2 GLN 58 HB2 GLN 58 0.362 -16.176 3.112 228 HB3 GLN 58 HB3 GLN 58 1.416 -17.050 2.000 229 HG2 GLN 58 HG2 GLN 58 2.438 -14.895 1.290 230 HG3 GLN 58 HG3 GLN 58 1.443 -14.032 2.436 231 HE21 GLN 58 HE21 GLN 58 4.571 -14.811 2.176 232 HE22 GLN 58 HE22 GLN 58 4.864 -15.352 3.835 233 H PHE 59 H PHE 59 0.023 -13.687 -0.211 234 HA PHE 59 HA PHE 59 -1.545 -12.124 1.686 235 HB2 PHE 59 HB2 PHE 59 -0.010 -11.370 -0.789 236 HB3 PHE 59 HB3 PHE 59 -0.927 -10.240 0.194 237 HD1 PHE 59 HD1 PHE 59 -0.352 -9.856 2.596 238 HD2 PHE 59 HD2 PHE 59 2.160 -12.225 0.049 239 HE1 PHE 59 HE1 PHE 59 1.473 -9.708 4.268 240 HE2 PHE 59 HE2 PHE 59 4.001 -12.075 1.704 241 HZ PHE 59 HZ PHE 59 3.655 -10.830 3.820 242 H GLU 60 H GLU 60 -3.424 -11.075 1.419 243 HA GLU 60 HA GLU 60 -5.237 -12.063 -0.778 244 HB2 GLU 60 HB2 GLU 60 -5.746 -13.316 1.155 245 HB3 GLU 60 HB3 GLU 60 -5.606 -11.912 2.225 246 HG2 GLU 60 HG2 GLU 60 -7.654 -10.951 1.376 247 HG3 GLU 60 HG3 GLU 60 -7.776 -12.180 0.112 248 H LYS 61 H LYS 61 -4.443 -9.376 1.471 249 HA LYS 61 HA LYS 61 -5.318 -7.578 -0.651 250 HB2 LYS 61 HB2 LYS 61 -6.910 -6.327 0.464 251 HB3 LYS 61 HB3 LYS 61 -7.366 -7.980 0.802 252 HG2 LYS 61 HG2 LYS 61 -6.437 -7.754 3.109 253 HG3 LYS 61 HG3 LYS 61 -5.904 -6.098 2.733 254 HD2 LYS 61 HD2 LYS 61 -8.154 -5.348 2.338 255 HD3 LYS 61 HD3 LYS 61 -8.754 -7.009 2.381 256 HE2 LYS 61 HE2 LYS 61 -8.007 -7.146 4.791 257 HE3 LYS 61 HE3 LYS 61 -7.654 -5.415 4.713 258 HZ1 LYS 61 HZ1 LYS 61 -10.310 -6.596 4.092 259 HZ2 LYS 61 HZ2 LYS 61 -9.960 -4.983 4.253 260 HZ3 LYS 61 HZ3 LYS 61 -9.938 -5.967 5.555 261 H MET 62 H MET 62 -5.055 -5.319 0.011 262 HA MET 62 HA MET 62 -2.803 -4.724 1.803 263 HB2 MET 62 HB2 MET 62 -1.489 -3.589 0.118 264 HB3 MET 62 HB3 MET 62 -1.742 -5.268 -0.353 265 HG2 MET 62 HG2 MET 62 -3.493 -4.597 -1.938 266 HG3 MET 62 HG3 MET 62 -3.283 -2.902 -1.470 267 HE1 MET 62 HE1 MET 62 -3.184 -4.181 -4.456 268 HE2 MET 62 HE2 MET 62 -1.839 -3.282 -5.177 269 HE3 MET 62 HE3 MET 62 -3.038 -2.427 -4.180 270 H VAL 63 H VAL 63 -2.527 -2.392 2.136 271 HA VAL 63 HA VAL 63 -4.743 -0.690 1.199 272 HB VAL 63 HB VAL 63 -5.403 -1.556 3.444 273 HG11 VAL 63 HG11 VAL 63 -4.328 -1.074 5.381 274 HG12 VAL 63 HG12 VAL 63 -3.231 0.125 4.621 275 HG13 VAL 63 HG13 VAL 63 -3.019 -1.597 4.317 276 HG21 VAL 63 HG21 VAL 63 -4.853 1.438 3.382 277 HG22 VAL 63 HG22 VAL 63 -5.988 0.589 4.448 278 HG23 VAL 63 HG23 VAL 63 -6.281 0.617 2.704 279 H ILE 64 H ILE 64 -4.018 1.117 0.383 280 HA ILE 64 HA ILE 64 -1.168 1.870 0.739 281 HB ILE 64 HB ILE 64 -3.199 2.896 -1.290 282 HG12 ILE 64 HG12 ILE 64 -1.637 1.558 -2.881 283 HG13 ILE 64 HG13 ILE 64 -1.169 0.641 -1.464 284 HG21 ILE 64 HG21 ILE 64 -0.160 3.104 -1.155 285 HG22 ILE 64 HG22 ILE 64 -1.283 4.430 -0.788 286 HG23 ILE 64 HG23 ILE 64 -1.211 3.789 -2.417 287 HD11 ILE 64 HD11 ILE 64 -3.387 -0.300 -1.277 288 HD12 ILE 64 HD12 ILE 64 -2.930 -0.358 -2.983 289 HD13 ILE 64 HD13 ILE 64 -4.042 0.902 -2.417 290 H LEU 65 H LEU 65 -0.638 3.479 2.043 291 HA LEU 65 HA LEU 65 -2.589 5.575 2.828 292 HB2 LEU 65 HB2 LEU 65 -0.260 4.186 4.188 293 HB3 LEU 65 HB3 LEU 65 -0.628 5.867 4.592 294 HG LEU 65 HG LEU 65 -2.908 5.316 5.099 295 HD11 LEU 65 HD11 LEU 65 -2.210 2.427 4.587 296 HD12 LEU 65 HD12 LEU 65 -3.486 3.420 3.829 297 HD13 LEU 65 HD13 LEU 65 -3.635 2.974 5.511 298 HD21 LEU 65 HD21 LEU 65 -2.517 4.166 7.237 299 HD22 LEU 65 HD22 LEU 65 -1.146 5.227 6.890 300 HD23 LEU 65 HD23 LEU 65 -1.010 3.473 6.612 301 H THR 66 H THR 66 -2.391 7.317 1.642 302 HA THR 66 HA THR 66 0.245 7.976 0.388 303 HB THR 66 HB THR 66 -0.889 9.250 -1.270 304 HG1 THR 66 HG1 THR 66 -2.592 10.106 -0.161 305 HG21 THR 66 HG21 THR 66 -0.791 6.811 -1.698 306 HG22 THR 66 HG22 THR 66 -2.169 7.604 -2.481 307 HG23 THR 66 HG23 THR 66 -2.426 6.643 -1.009 308 H GLU 67 H GLU 67 0.626 10.362 0.079 309 HA GLU 67 HA GLU 67 0.172 11.907 2.426 310 HB2 GLU 67 HB2 GLU 67 0.549 13.054 -0.352 311 HB3 GLU 67 HB3 GLU 67 0.869 13.831 1.194 312 HG2 GLU 67 HG2 GLU 67 2.550 11.834 1.566 313 HG3 GLU 67 HG3 GLU 67 2.411 11.609 -0.174 314 H ASN 68 H ASN 68 -1.138 13.952 2.493 315 HA ASN 68 HA ASN 68 -3.162 14.975 2.617 316 HB2 ASN 68 HB2 ASN 68 -3.413 14.124 -0.259 317 HB3 ASN 68 HB3 ASN 68 -4.129 15.551 0.464 318 HD21 ASN 68 HD21 ASN 68 -1.969 14.970 -1.726 319 HD22 ASN 68 HD22 ASN 68 -0.643 16.048 -1.236 320 H LYS 69 H LYS 69 -3.311 12.461 3.688 321 HA LYS 69 HA LYS 69 -4.788 11.193 4.764 322 HB2 LYS 69 HB2 LYS 69 -6.982 12.978 3.647 323 HB3 LYS 69 HB3 LYS 69 -7.043 12.024 5.121 324 HG2 LYS 69 HG2 LYS 69 -5.379 13.428 6.205 325 HG3 LYS 69 HG3 LYS 69 -5.135 14.380 4.737 326 HD2 LYS 69 HD2 LYS 69 -7.714 14.244 6.332 327 HD3 LYS 69 HD3 LYS 69 -6.514 15.550 6.346 328 HE2 LYS 69 HE2 LYS 69 -6.907 15.929 3.910 329 HE3 LYS 69 HE3 LYS 69 -8.157 14.682 3.920 330 HZ1 LYS 69 HZ1 LYS 69 -8.275 17.138 5.590 331 HZ2 LYS 69 HZ2 LYS 69 -9.461 16.019 5.418 332 HZ3 LYS 69 HZ3 LYS 69 -9.027 16.960 4.138 333 H GLY 70 H GLY 70 -4.241 10.511 1.853 334 HA2 GLY 70 HA2 GLY 70 -6.584 8.970 1.042 335 HA3 GLY 70 HA3 GLY 70 -4.979 8.843 0.363 336 H TYR 71 H TYR 71 -7.125 6.999 1.481 337 HA TYR 71 HA TYR 71 -5.346 4.962 2.660 338 HB2 TYR 71 HB2 TYR 71 -6.304 6.108 4.609 339 HB3 TYR 71 HB3 TYR 71 -7.916 5.944 3.956 340 HD1 TYR 71 HD1 TYR 71 -8.841 3.487 3.618 341 HD2 TYR 71 HD2 TYR 71 -5.556 4.527 6.237 342 HE1 TYR 71 HE1 TYR 71 -9.313 1.510 5.006 343 HE2 TYR 71 HE2 TYR 71 -6.111 2.591 7.674 344 HH TYR 71 HH TYR 71 -7.617 0.873 8.096 345 H TYR 72 H TYR 72 -5.568 3.456 1.094 346 HA TYR 72 HA TYR 72 -8.238 3.023 -0.220 347 HB2 TYR 72 HB2 TYR 72 -5.498 2.995 -1.522 348 HB3 TYR 72 HB3 TYR 72 -7.038 2.726 -2.311 349 HD1 TYR 72 HD1 TYR 72 -8.609 4.614 -2.712 350 HD2 TYR 72 HD2 TYR 72 -4.695 5.213 -0.990 351 HE1 TYR 72 HE1 TYR 72 -8.733 7.030 -3.278 352 HE2 TYR 72 HE2 TYR 72 -4.816 7.636 -1.578 353 HH TYR 72 HH TYR 72 -7.684 9.048 -3.189 354 H THR 73 H THR 73 -8.935 1.033 0.408 355 HA THR 73 HA THR 73 -6.991 -1.163 0.859 356 HB THR 73 HB THR 73 -8.855 -0.735 2.442 357 HG1 THR 73 HG1 THR 73 -9.242 -2.870 2.729 358 HG21 THR 73 HG21 THR 73 -10.644 -2.081 0.377 359 HG22 THR 73 HG22 THR 73 -10.723 -0.357 0.802 360 HG23 THR 73 HG23 THR 73 -11.067 -1.579 2.027 361 H VAL 74 H VAL 74 -6.712 -2.918 -0.419 362 HA VAL 74 HA VAL 74 -8.239 -3.179 -2.967 363 HB VAL 74 HB VAL 74 -5.207 -2.974 -2.797 364 HG11 VAL 74 HG11 VAL 74 -7.078 -3.311 -5.180 365 HG12 VAL 74 HG12 VAL 74 -5.934 -4.527 -4.572 366 HG13 VAL 74 HG13 VAL 74 -5.328 -3.035 -5.280 367 HG21 VAL 74 HG21 VAL 74 -7.203 -1.028 -4.021 368 HG22 VAL 74 HG22 VAL 74 -5.437 -0.951 -4.197 369 HG23 VAL 74 HG23 VAL 74 -6.164 -0.725 -2.608 370 H TYR 75 H TYR 75 -8.826 -5.262 -3.209 371 HA TYR 75 HA TYR 75 -7.462 -7.386 -1.648 372 HB2 TYR 75 HB2 TYR 75 -10.022 -7.276 -3.246 373 HB3 TYR 75 HB3 TYR 75 -9.280 -8.804 -2.799 374 HD1 TYR 75 HD1 TYR 75 -10.324 -5.547 -1.183 375 HD2 TYR 75 HD2 TYR 75 -9.855 -9.818 -0.755 376 HE1 TYR 75 HE1 TYR 75 -11.345 -5.434 1.070 377 HE2 TYR 75 HE2 TYR 75 -10.943 -9.711 1.478 378 HH TYR 75 HH TYR 75 -12.080 -8.361 2.994 379 H LEU 76 H LEU 76 -6.003 -8.698 -2.429 380 HA LEU 76 HA LEU 76 -4.899 -8.236 -5.121 381 HB2 LEU 76 HB2 LEU 76 -4.059 -9.905 -2.711 382 HB3 LEU 76 HB3 LEU 76 -3.117 -9.815 -4.191 383 HG LEU 76 HG LEU 76 -3.829 -7.303 -2.610 384 HD11 LEU 76 HD11 LEU 76 -1.593 -7.466 -1.614 385 HD12 LEU 76 HD12 LEU 76 -1.380 -9.079 -2.344 386 HD13 LEU 76 HD13 LEU 76 -2.631 -8.809 -1.109 387 HD21 LEU 76 HD21 LEU 76 -1.821 -6.418 -3.774 388 HD22 LEU 76 HD22 LEU 76 -3.054 -6.931 -4.930 389 HD23 LEU 76 HD23 LEU 76 -1.635 -7.961 -4.630 390 H ASN 77 H ASN 77 -6.963 -10.590 -3.641 391 HA ASN 77 HA ASN 77 -6.234 -12.881 -5.200 392 HB2 ASN 77 HB2 ASN 77 -8.523 -12.053 -3.393 393 HB3 ASN 77 HB3 ASN 77 -8.702 -13.505 -4.351 394 HD21 ASN 77 HD21 ASN 77 -8.832 -13.765 -1.699 395 HD22 ASN 77 HD22 ASN 77 -7.421 -14.740 -1.235 396 H THR 78 H THR 78 -7.702 -10.125 -6.530 397 HA THR 78 HA THR 78 -8.972 -11.661 -8.683 398 HB THR 78 HB THR 78 -11.020 -10.318 -8.517 399 HG1 THR 78 HG1 THR 78 -11.201 -8.713 -7.295 400 HG21 THR 78 HG21 THR 78 -10.521 -11.502 -5.752 401 HG22 THR 78 HG22 THR 78 -10.984 -12.452 -7.186 402 HG23 THR 78 HG23 THR 78 -12.079 -11.214 -6.543 403 HA PRO 79 HA PRO 79 -7.417 -8.203 -11.070 404 HB2 PRO 79 HB2 PRO 79 -9.029 -8.328 -13.282 405 HB3 PRO 79 HB3 PRO 79 -7.827 -9.599 -12.906 406 HG2 PRO 79 HG2 PRO 79 -10.751 -9.568 -12.139 407 HG3 PRO 79 HG3 PRO 79 -9.890 -10.856 -13.068 408 HD2 PRO 79 HD2 PRO 79 -10.331 -11.003 -10.427 409 HD3 PRO 79 HD3 PRO 79 -8.740 -11.512 -11.049 410 H LEU 80 H LEU 80 -8.019 -6.098 -11.929 411 HA LEU 80 HA LEU 80 -10.296 -4.901 -10.467 412 HB2 LEU 80 HB2 LEU 80 -9.070 -2.965 -10.290 413 HB3 LEU 80 HB3 LEU 80 -7.894 -4.243 -10.074 414 HG LEU 80 HG LEU 80 -8.277 -2.493 -12.550 415 HD11 LEU 80 HD11 LEU 80 -5.994 -2.721 -10.557 416 HD12 LEU 80 HD12 LEU 80 -7.178 -1.403 -10.635 417 HD13 LEU 80 HD13 LEU 80 -6.042 -1.662 -11.974 418 HD21 LEU 80 HD21 LEU 80 -6.085 -3.562 -13.305 419 HD22 LEU 80 HD22 LEU 80 -7.519 -4.589 -13.447 420 HD23 LEU 80 HD23 LEU 80 -6.378 -4.808 -12.109 421 H ALA 81 H ALA 81 -11.567 -3.264 -11.233 422 HA ALA 81 HA ALA 81 -12.311 -3.061 -14.036 423 HB1 ALA 81 HB1 ALA 81 -13.025 -1.456 -11.536 424 HB2 ALA 81 HB2 ALA 81 -13.932 -2.830 -12.209 425 HB3 ALA 81 HB3 ALA 81 -13.832 -1.304 -13.106 426 H GLU 82 H GLU 82 -12.145 -1.163 -15.390 427 HA GLU 82 HA GLU 82 -9.732 0.350 -15.318 428 HB2 GLU 82 HB2 GLU 82 -12.352 0.938 -16.749 429 HB3 GLU 82 HB3 GLU 82 -10.873 1.879 -16.934 430 HG2 GLU 82 HG2 GLU 82 -9.719 -0.328 -17.583 431 HG3 GLU 82 HG3 GLU 82 -11.349 -0.995 -17.767 432 H ASP 83 H ASP 83 -12.724 0.914 -13.611 433 HA ASP 83 HA ASP 83 -12.577 3.709 -13.083 434 HB2 ASP 83 HB2 ASP 83 -13.684 1.277 -11.651 435 HB3 ASP 83 HB3 ASP 83 -13.663 2.831 -10.824 436 H ARG 84 H ARG 84 -11.015 0.951 -11.518 437 HA ARG 84 HA ARG 84 -9.632 2.516 -9.467 438 HB2 ARG 84 HB2 ARG 84 -9.394 -0.379 -10.426 439 HB3 ARG 84 HB3 ARG 84 -8.448 0.327 -9.114 440 HG2 ARG 84 HG2 ARG 84 -10.539 0.933 -7.926 441 HG3 ARG 84 HG3 ARG 84 -11.487 0.153 -9.193 442 HD2 ARG 84 HD2 ARG 84 -10.531 -2.039 -8.623 443 HD3 ARG 84 HD3 ARG 84 -9.419 -1.284 -7.476 444 HE ARG 84 HE ARG 84 -11.068 -1.245 -5.892 445 HH11 ARG 84 HH11 ARG 84 -12.733 -2.144 -8.850 446 HH12 ARG 84 HH12 ARG 84 -14.290 -1.653 -8.236 447 HH21 ARG 84 HH21 ARG 84 -13.195 -1.140 -5.039 448 HH22 ARG 84 HH22 ARG 84 -14.506 -1.593 -6.114 449 H LYS 85 H LYS 85 -8.785 1.217 -12.673 450 HA LYS 85 HA LYS 85 -5.993 2.059 -12.682 451 HB2 LYS 85 HB2 LYS 85 -7.944 1.646 -14.977 452 HB3 LYS 85 HB3 LYS 85 -6.227 2.004 -15.153 453 HG2 LYS 85 HG2 LYS 85 -5.670 -0.042 -13.834 454 HG3 LYS 85 HG3 LYS 85 -7.397 -0.470 -13.831 455 HD2 LYS 85 HD2 LYS 85 -7.403 -0.546 -16.294 456 HD3 LYS 85 HD3 LYS 85 -5.699 -0.023 -16.332 457 HE2 LYS 85 HE2 LYS 85 -5.019 -2.035 -15.090 458 HE3 LYS 85 HE3 LYS 85 -6.712 -2.546 -14.964 459 HZ1 LYS 85 HZ1 LYS 85 -5.519 -3.667 -16.716 460 HZ2 LYS 85 HZ2 LYS 85 -5.260 -2.262 -17.534 461 HZ3 LYS 85 HZ3 LYS 85 -6.800 -2.825 -17.318 462 H ASN 86 H ASN 86 -8.827 3.879 -12.716 463 HA ASN 86 HA ASN 86 -7.434 6.253 -13.888 464 HB2 ASN 86 HB2 ASN 86 -10.347 5.377 -13.951 465 HB3 ASN 86 HB3 ASN 86 -9.746 6.909 -14.580 466 HD21 ASN 86 HD21 ASN 86 -11.090 5.354 -16.341 467 HD22 ASN 86 HD22 ASN 86 -9.910 4.660 -17.472 468 H VAL 87 H VAL 87 -8.771 5.183 -10.854 469 HA VAL 87 HA VAL 87 -9.877 7.726 -10.057 470 HB VAL 87 HB VAL 87 -10.507 5.506 -9.090 471 HG11 VAL 87 HG11 VAL 87 -9.259 4.472 -7.350 472 HG12 VAL 87 HG12 VAL 87 -8.032 5.753 -7.362 473 HG13 VAL 87 HG13 VAL 87 -8.183 4.656 -8.749 474 HG21 VAL 87 HG21 VAL 87 -11.175 7.606 -8.023 475 HG22 VAL 87 HG22 VAL 87 -9.672 7.614 -7.066 476 HG23 VAL 87 HG23 VAL 87 -10.876 6.330 -6.832 477 H GLU 88 H GLU 88 -8.941 9.487 -9.224 478 HA GLU 88 HA GLU 88 -6.041 9.707 -9.276 479 HB2 GLU 88 HB2 GLU 88 -8.198 11.664 -8.369 480 HB3 GLU 88 HB3 GLU 88 -6.467 12.020 -8.479 481 HG2 GLU 88 HG2 GLU 88 -6.565 11.335 -10.921 482 HG3 GLU 88 HG3 GLU 88 -8.319 11.251 -10.777 483 H LEU 89 H LEU 89 -4.681 9.142 -7.743 484 HA LEU 89 HA LEU 89 -5.380 8.646 -4.970 485 HB2 LEU 89 HB2 LEU 89 -2.729 9.169 -6.377 486 HB3 LEU 89 HB3 LEU 89 -2.855 8.645 -4.713 487 HG LEU 89 HG LEU 89 -3.847 7.036 -7.118 488 HD11 LEU 89 HD11 LEU 89 -1.370 6.662 -5.390 489 HD12 LEU 89 HD12 LEU 89 -1.387 7.272 -7.055 490 HD13 LEU 89 HD13 LEU 89 -1.904 5.613 -6.726 491 HD21 LEU 89 HD21 LEU 89 -3.555 6.222 -4.194 492 HD22 LEU 89 HD22 LEU 89 -3.969 5.135 -5.536 493 HD23 LEU 89 HD23 LEU 89 -5.087 6.414 -5.078 494 H LEU 90 H LEU 90 -5.318 10.025 -3.229 495 HA LEU 90 HA LEU 90 -5.481 12.853 -3.570 496 HB2 LEU 90 HB2 LEU 90 -5.234 10.967 -1.211 497 HB3 LEU 90 HB3 LEU 90 -5.223 12.704 -0.950 498 HG LEU 90 HG LEU 90 -7.456 11.448 -2.576 499 HD11 LEU 90 HD11 LEU 90 -7.335 11.740 0.453 500 HD12 LEU 90 HD12 LEU 90 -7.481 10.228 -0.484 501 HD13 LEU 90 HD13 LEU 90 -8.804 11.393 -0.490 502 HD21 LEU 90 HD21 LEU 90 -7.197 13.930 -2.559 503 HD22 LEU 90 HD22 LEU 90 -7.339 13.905 -0.790 504 HD23 LEU 90 HD23 LEU 90 -8.706 13.394 -1.804 505 H GLY 91 H GLY 91 -2.672 10.872 -3.119 506 HA2 GLY 91 HA2 GLY 91 -0.840 13.069 -3.496 507 HA3 GLY 91 HA3 GLY 91 -0.866 12.517 -1.824 508 H LYS 92 H LYS 92 1.457 12.203 -2.634 509 HA LYS 92 HA LYS 92 2.114 9.903 -4.211 510 HB2 LYS 92 HB2 LYS 92 3.482 12.101 -3.385 511 HB3 LYS 92 HB3 LYS 92 4.064 10.958 -2.204 512 HG2 LYS 92 HG2 LYS 92 5.585 10.953 -4.024 513 HG3 LYS 92 HG3 LYS 92 4.640 9.465 -4.239 514 HD2 LYS 92 HD2 LYS 92 3.229 10.650 -5.920 515 HD3 LYS 92 HD3 LYS 92 4.228 12.098 -5.697 516 HE2 LYS 92 HE2 LYS 92 6.197 10.891 -6.522 517 HE3 LYS 92 HE3 LYS 92 5.257 9.391 -6.652 518 HZ1 LYS 92 HZ1 LYS 92 5.467 10.610 -8.787 519 HZ2 LYS 92 HZ2 LYS 92 4.625 11.874 -8.150 520 HZ3 LYS 92 HZ3 LYS 92 3.916 10.377 -8.352 521 H MET 93 H MET 93 3.042 7.923 -3.673 522 HA MET 93 HA MET 93 1.637 6.479 -1.633 523 HB2 MET 93 HB2 MET 93 2.271 5.630 -3.924 524 HB3 MET 93 HB3 MET 93 3.935 5.489 -3.351 525 HG2 MET 93 HG2 MET 93 2.852 4.063 -1.389 526 HG3 MET 93 HG3 MET 93 1.445 4.031 -2.428 527 HE1 MET 93 HE1 MET 93 5.041 2.789 -1.712 528 HE2 MET 93 HE2 MET 93 5.396 3.658 -3.226 529 HE3 MET 93 HE3 MET 93 5.485 1.887 -3.179 530 H TYR 94 H TYR 94 2.616 7.980 0.115 531 HA TYR 94 HA TYR 94 5.091 7.658 1.303 532 HB2 TYR 94 HB2 TYR 94 3.692 9.245 2.215 533 HB3 TYR 94 HB3 TYR 94 2.310 8.194 2.266 534 HD1 TYR 94 HD1 TYR 94 2.004 6.532 4.096 535 HD2 TYR 94 HD2 TYR 94 5.231 9.399 4.111 536 HE1 TYR 94 HE1 TYR 94 2.316 6.177 6.546 537 HE2 TYR 94 HE2 TYR 94 5.494 9.066 6.557 538 HH TYR 94 HH TYR 94 4.713 8.056 8.429 539 H LYS 95 H LYS 95 2.326 5.366 1.910 540 HA LYS 95 HA LYS 95 4.311 3.205 2.318 541 HB2 LYS 95 HB2 LYS 95 2.333 4.090 4.462 542 HB3 LYS 95 HB3 LYS 95 2.958 2.445 4.391 543 HG2 LYS 95 HG2 LYS 95 5.280 3.324 4.499 544 HG3 LYS 95 HG3 LYS 95 4.606 4.949 4.809 545 HD2 LYS 95 HD2 LYS 95 3.319 3.823 6.742 546 HD3 LYS 95 HD3 LYS 95 4.400 2.435 6.466 547 HE2 LYS 95 HE2 LYS 95 6.361 3.827 6.954 548 HE3 LYS 95 HE3 LYS 95 5.341 5.268 7.082 549 HZ1 LYS 95 HZ1 LYS 95 5.157 2.905 8.874 550 HZ2 LYS 95 HZ2 LYS 95 4.211 4.248 8.961 551 HZ3 LYS 95 HZ3 LYS 95 5.828 4.352 9.273 552 H THR 96 H THR 96 3.443 1.096 2.340 553 HA THR 96 HA THR 96 0.515 0.773 1.954 554 HB THR 96 HB THR 96 2.502 -0.881 0.348 555 HG1 THR 96 HG1 THR 96 2.129 1.352 -0.088 556 HG21 THR 96 HG21 THR 96 0.476 -1.632 -0.880 557 HG22 THR 96 HG22 THR 96 -0.551 -0.717 0.238 558 HG23 THR 96 HG23 THR 96 0.381 -2.109 0.813 559 H TYR 97 H TYR 97 -0.308 -0.875 3.073 560 HA TYR 97 HA TYR 97 1.499 -2.675 4.650 561 HB2 TYR 97 HB2 TYR 97 -1.118 -1.274 5.307 562 HB3 TYR 97 HB3 TYR 97 -0.527 -2.590 6.243 563 HD1 TYR 97 HD1 TYR 97 1.735 -2.360 7.391 564 HD2 TYR 97 HD2 TYR 97 -0.222 0.989 5.519 565 HE1 TYR 97 HE1 TYR 97 3.072 -0.812 8.781 566 HE2 TYR 97 HE2 TYR 97 1.117 2.547 6.948 567 HH TYR 97 HH TYR 97 3.391 1.302 9.404 568 H PHE 98 H PHE 98 1.002 -4.850 4.654 569 HA PHE 98 HA PHE 98 -1.113 -5.818 2.769 570 HB2 PHE 98 HB2 PHE 98 1.798 -6.597 3.118 571 HB3 PHE 98 HB3 PHE 98 0.650 -7.553 2.220 572 HD1 PHE 98 HD1 PHE 98 2.437 -4.265 2.229 573 HD2 PHE 98 HD2 PHE 98 0.050 -7.080 0.011 574 HE1 PHE 98 HE1 PHE 98 2.966 -3.064 0.105 575 HE2 PHE 98 HE2 PHE 98 0.607 -5.890 -2.102 576 HZ PHE 98 HZ PHE 98 2.092 -3.917 -2.054 577 H PHE 99 H PHE 99 -2.032 -7.763 3.117 578 HA PHE 99 HA PHE 99 -1.857 -8.915 5.881 579 HB2 PHE 99 HB2 PHE 99 -4.331 -8.230 4.241 580 HB3 PHE 99 HB3 PHE 99 -4.305 -8.752 5.903 581 HD1 PHE 99 HD1 PHE 99 -3.769 -5.959 3.595 582 HD2 PHE 99 HD2 PHE 99 -3.709 -7.125 7.732 583 HE1 PHE 99 HE1 PHE 99 -3.612 -3.608 4.239 584 HE2 PHE 99 HE2 PHE 99 -3.571 -4.727 8.384 585 HZ PHE 99 HZ PHE 99 -3.434 -2.966 6.651 586 H LYS 100 H LYS 100 -1.821 -11.127 5.933 587 HA LYS 100 HA LYS 100 -1.974 -12.689 3.471 588 HB2 LYS 100 HB2 LYS 100 -1.893 -13.712 6.321 589 HB3 LYS 100 HB3 LYS 100 -1.876 -14.682 4.847 590 HG2 LYS 100 HG2 LYS 100 0.263 -14.717 5.371 591 HG3 LYS 100 HG3 LYS 100 0.205 -13.466 4.128 592 HD2 LYS 100 HD2 LYS 100 0.596 -11.730 5.674 593 HD3 LYS 100 HD3 LYS 100 0.117 -12.718 7.058 594 HE2 LYS 100 HE2 LYS 100 2.582 -13.313 5.386 595 HE3 LYS 100 HE3 LYS 100 2.603 -12.337 6.859 596 HZ1 LYS 100 HZ1 LYS 100 1.837 -15.190 6.680 597 HZ2 LYS 100 HZ2 LYS 100 1.667 -14.270 8.052 598 HZ3 LYS 100 HZ3 LYS 100 3.153 -14.531 7.407 599 H LYS 101 H LYS 101 -3.354 -14.560 3.261 600 HA LYS 101 HA LYS 101 -6.158 -14.215 3.291 601 HB2 LYS 101 HB2 LYS 101 -6.249 -16.620 2.945 602 HB3 LYS 101 HB3 LYS 101 -5.040 -15.836 1.947 603 HG2 LYS 101 HG2 LYS 101 -3.323 -16.598 3.775 604 HG3 LYS 101 HG3 LYS 101 -4.603 -17.685 4.310 605 HD2 LYS 101 HD2 LYS 101 -3.339 -17.573 1.541 606 HD3 LYS 101 HD3 LYS 101 -3.008 -18.776 2.794 607 HE2 LYS 101 HE2 LYS 101 -5.347 -19.583 2.666 608 HE3 LYS 101 HE3 LYS 101 -5.708 -18.358 1.442 609 HZ1 LYS 101 HZ1 LYS 101 -3.757 -20.583 1.110 610 HZ2 LYS 101 HZ2 LYS 101 -4.019 -19.406 0.010 611 HZ3 LYS 101 HZ3 LYS 101 -5.217 -20.468 0.379 612 H GLY 102 H GLY 102 -7.396 -13.671 4.903 613 HA2 GLY 102 HA2 GLY 102 -8.550 -13.881 6.902 614 HA3 GLY 102 HA3 GLY 102 -7.528 -15.232 7.375 615 H GLU 103 H GLU 103 -6.766 -11.710 6.744 616 HA GLU 103 HA GLU 103 -5.849 -11.477 9.586 617 HB2 GLU 103 HB2 GLU 103 -4.385 -10.501 7.111 618 HB3 GLU 103 HB3 GLU 103 -4.011 -9.989 8.756 619 HG2 GLU 103 HG2 GLU 103 -3.790 -12.579 9.188 620 HG3 GLU 103 HG3 GLU 103 -3.559 -12.654 7.448 621 H SER 104 H SER 104 -5.674 -9.357 10.422 622 HA SER 104 HA SER 104 -6.915 -7.071 9.001 623 HB2 SER 104 HB2 SER 104 -8.726 -8.318 10.177 624 HB3 SER 104 HB3 SER 104 -7.931 -7.918 11.714 625 HG SER 104 HG SER 104 -9.701 -6.565 10.645 626 H LYS 105 H LYS 105 -4.237 -7.974 10.200 627 HA LYS 105 HA LYS 105 -3.463 -5.215 10.754 628 HB2 LYS 105 HB2 LYS 105 -3.848 -6.058 13.029 629 HB3 LYS 105 HB3 LYS 105 -2.799 -7.453 12.692 630 HG2 LYS 105 HG2 LYS 105 -0.844 -6.065 12.611 631 HG3 LYS 105 HG3 LYS 105 -1.784 -4.580 12.600 632 HD2 LYS 105 HD2 LYS 105 -0.923 -4.913 14.846 633 HD3 LYS 105 HD3 LYS 105 -2.672 -5.158 14.880 634 HE2 LYS 105 HE2 LYS 105 -2.184 -7.659 14.581 635 HE3 LYS 105 HE3 LYS 105 -0.486 -7.258 14.875 636 HZ1 LYS 105 HZ1 LYS 105 -1.585 -7.918 16.911 637 HZ2 LYS 105 HZ2 LYS 105 -2.774 -6.815 16.719 638 HZ3 LYS 105 HZ3 LYS 105 -1.243 -6.295 17.030 639 H SER 106 H SER 106 -1.530 -4.846 9.738 640 HA SER 106 HA SER 106 -0.905 -6.730 7.732 641 HB2 SER 106 HB2 SER 106 0.812 -5.295 6.945 642 HB3 SER 106 HB3 SER 106 -0.492 -4.285 7.574 643 HG SER 106 HG SER 106 2.076 -4.824 8.782 644 H SER 107 H SER 107 0.921 -7.792 7.152 645 HA SER 107 HA SER 107 2.902 -8.518 9.295 646 HB2 SER 107 HB2 SER 107 1.853 -10.266 7.025 647 HB3 SER 107 HB3 SER 107 3.015 -10.748 8.272 648 HG SER 107 HG SER 107 0.217 -10.528 8.423 649 H TYR 108 H TYR 108 2.453 -7.119 6.261 650 HA TYR 108 HA TYR 108 5.346 -6.928 5.807 651 HB2 TYR 108 HB2 TYR 108 4.786 -8.853 4.474 652 HB3 TYR 108 HB3 TYR 108 3.363 -8.068 3.820 653 HD1 TYR 108 HD1 TYR 108 7.088 -7.623 3.970 654 HD2 TYR 108 HD2 TYR 108 3.505 -7.260 1.627 655 HE1 TYR 108 HE1 TYR 108 8.458 -6.996 1.966 656 HE2 TYR 108 HE2 TYR 108 4.849 -6.646 -0.352 657 HH TYR 108 HH TYR 108 7.007 -6.441 -1.244 658 H VAL 109 H VAL 109 5.887 -5.022 4.973 659 HA VAL 109 HA VAL 109 3.883 -3.120 3.917 660 HB VAL 109 HB VAL 109 3.575 -2.495 5.972 661 HG11 VAL 109 HG11 VAL 109 6.256 -3.431 6.741 662 HG12 VAL 109 HG12 VAL 109 4.669 -3.943 7.318 663 HG13 VAL 109 HG13 VAL 109 5.321 -2.397 7.860 664 HG21 VAL 109 HG21 VAL 109 4.286 -0.406 5.149 665 HG22 VAL 109 HG22 VAL 109 5.965 -0.748 5.629 666 HG23 VAL 109 HG23 VAL 109 4.716 -0.557 6.851 667 H ILE 110 H ILE 110 4.722 -1.224 3.017 668 HA ILE 110 HA ILE 110 7.580 -1.406 2.156 669 HB ILE 110 HB ILE 110 5.205 -0.955 0.353 670 HG12 ILE 110 HG12 ILE 110 6.595 -3.547 1.004 671 HG13 ILE 110 HG13 ILE 110 4.897 -3.212 0.981 672 HG21 ILE 110 HG21 ILE 110 6.871 -1.259 -1.454 673 HG22 ILE 110 HG22 ILE 110 8.128 -1.601 -0.257 674 HG23 ILE 110 HG23 ILE 110 7.389 0.019 -0.384 675 HD11 ILE 110 HD11 ILE 110 5.335 -4.588 -0.888 676 HD12 ILE 110 HD12 ILE 110 6.736 -3.642 -1.382 677 HD13 ILE 110 HD13 ILE 110 5.084 -2.971 -1.561 678 H ASN 111 H ASN 111 8.595 0.462 2.161 679 HA ASN 111 HA ASN 111 7.118 2.979 2.707 680 HB2 ASN 111 HB2 ASN 111 10.117 2.396 2.597 681 HB3 ASN 111 HB3 ASN 111 9.351 3.862 3.218 682 HD21 ASN 111 HD21 ASN 111 7.711 3.430 5.056 683 HD22 ASN 111 HD22 ASN 111 8.095 2.098 6.175 684 H GLY 112 H GLY 112 6.965 4.618 1.239 685 HA2 GLY 112 HA2 GLY 112 8.409 4.408 -1.382 686 HA3 GLY 112 HA3 GLY 112 6.652 4.474 -1.342 687 HA PRO 113 HA PRO 113 8.529 8.784 -1.550 688 HB2 PRO 113 HB2 PRO 113 7.358 9.669 -3.828 689 HB3 PRO 113 HB3 PRO 113 8.795 8.616 -3.863 690 HG2 PRO 113 HG2 PRO 113 5.887 7.732 -4.098 691 HG3 PRO 113 HG3 PRO 113 7.215 7.400 -5.224 692 HD2 PRO 113 HD2 PRO 113 6.489 5.660 -3.254 693 HD3 PRO 113 HD3 PRO 113 8.220 5.890 -3.639 694 H GLY 114 H GLY 114 7.631 10.095 -0.209 695 HA2 GLY 114 HA2 GLY 114 5.506 11.676 -0.192 696 HA3 GLY 114 HA3 GLY 114 4.754 10.169 0.361 697 H LYS 115 H LYS 115 4.930 12.487 1.929 698 HA LYS 115 HA LYS 115 6.903 11.794 4.072 699 HB2 LYS 115 HB2 LYS 115 7.637 13.463 2.410 700 HB3 LYS 115 HB3 LYS 115 6.250 14.484 2.820 701 HG2 LYS 115 HG2 LYS 115 7.081 14.820 5.088 702 HG3 LYS 115 HG3 LYS 115 8.397 13.649 4.818 703 HD2 LYS 115 HD2 LYS 115 9.308 15.053 3.026 704 HD3 LYS 115 HD3 LYS 115 7.990 16.227 3.234 705 HE2 LYS 115 HE2 LYS 115 8.764 16.814 5.441 706 HE3 LYS 115 HE3 LYS 115 9.938 15.489 5.447 707 HZ1 LYS 115 HZ1 LYS 115 10.020 17.715 3.496 708 HZ2 LYS 115 HZ2 LYS 115 11.138 16.539 3.681 709 HZ3 LYS 115 HZ3 LYS 115 10.945 17.658 4.876 710 H THR 116 H THR 116 3.730 13.317 3.371 711 HA THR 116 HA THR 116 3.075 13.008 6.271 712 HB THR 116 HB THR 116 3.860 15.249 6.085 713 HG1 THR 116 HG1 THR 116 2.085 16.185 6.932 714 HG21 THR 116 HG21 THR 116 1.644 15.885 4.097 715 HG22 THR 116 HG22 THR 116 3.349 15.681 3.630 716 HG23 THR 116 HG23 THR 116 2.883 16.973 4.744 717 H ASN 117 H ASN 117 1.343 11.811 6.506 718 HA ASN 117 HA ASN 117 -0.769 11.564 4.512 719 HB2 ASN 117 HB2 ASN 117 -0.713 10.743 7.447 720 HB3 ASN 117 HB3 ASN 117 -1.833 10.189 6.191 721 HD21 ASN 117 HD21 ASN 117 -0.723 9.255 4.167 722 HD22 ASN 117 HD22 ASN 117 0.618 8.182 4.519 723 H GLU 118 H GLU 118 0.038 14.145 6.501 724 HA GLU 118 HA GLU 118 -2.607 14.589 7.684 725 HB2 GLU 118 HB2 GLU 118 -0.072 16.173 8.196 726 HB3 GLU 118 HB3 GLU 118 -1.482 15.964 9.234 727 HG2 GLU 118 HG2 GLU 118 -0.871 13.466 9.325 728 HG3 GLU 118 HG3 GLU 118 0.666 13.896 8.584 729 H TYR 119 H TYR 119 -1.681 15.345 4.789 730 HA TYR 119 HA TYR 119 -2.356 16.755 3.196 731 HB2 TYR 119 HB2 TYR 119 -4.501 16.979 4.096 732 HB3 TYR 119 HB3 TYR 119 -3.983 18.119 5.314 733 HD1 TYR 119 HD1 TYR 119 -3.184 18.199 1.612 734 HD2 TYR 119 HD2 TYR 119 -5.303 19.969 4.932 735 HE1 TYR 119 HE1 TYR 119 -3.856 20.100 0.188 736 HE2 TYR 119 HE2 TYR 119 -6.014 21.848 3.477 737 HH TYR 119 HH TYR 119 -5.936 22.760 1.379 738 H ALA 120 H ALA 120 -0.601 17.429 2.369 739 HA ALA 120 HA ALA 120 1.178 19.442 3.460 740 HB1 ALA 120 HB1 ALA 120 1.976 17.611 2.026 741 HB2 ALA 120 HB2 ALA 120 2.276 19.181 1.261 742 HB3 ALA 120 HB3 ALA 120 0.931 18.162 0.700 743 H TYR 121 H TYR 121 -0.453 21.030 3.929 744 HA TYR 121 HA TYR 121 -1.981 22.490 2.024 745 HB2 TYR 121 HB2 TYR 121 -2.397 22.511 4.446 746 HB3 TYR 121 HB3 TYR 121 -0.843 23.293 4.725 747 HD1 TYR 121 HD1 TYR 121 -4.061 23.720 2.862 748 HD2 TYR 121 HD2 TYR 121 -0.712 25.685 4.731 749 HE1 TYR 121 HE1 TYR 121 -5.105 25.938 2.433 750 HE2 TYR 121 HE2 TYR 121 -1.752 27.898 4.279 751 HH TYR 121 HH TYR 121 -3.419 28.983 3.117 752 H1 ACE 6 H1 ACE 6 23.005 -4.322 -11.108 753 H2 ACE 6 H2 ACE 6 21.436 -5.146 -11.208 754 H3 ACE 6 H3 ACE 6 21.751 -3.705 -12.204 755 H THR 7 H THR 7 19.571 -3.368 -11.005 756 HA THR 7 HA THR 7 19.786 -2.187 -8.315 757 HB THR 7 HB THR 7 20.742 -0.425 -9.621 758 HG1 THR 7 HG1 THR 7 19.467 1.175 -9.023 759 HG21 THR 7 HG21 THR 7 18.242 -0.461 -11.369 760 HG22 THR 7 HG22 THR 7 19.892 -0.863 -11.875 761 HG23 THR 7 HG23 THR 7 19.509 0.786 -11.388 762 H THR 8 H THR 8 17.812 -1.840 -7.297 763 HA THR 8 HA THR 8 15.235 -2.070 -8.722 764 HB THR 8 HB THR 8 16.084 -3.980 -6.508 765 HG1 THR 8 HG1 THR 8 15.270 -4.408 -9.174 766 HG21 THR 8 HG21 THR 8 13.904 -5.112 -6.939 767 HG22 THR 8 HG22 THR 8 13.713 -3.537 -6.194 768 HG23 THR 8 HG23 THR 8 13.395 -3.730 -7.920 769 HA PRO 9 HA PRO 9 14.058 0.846 -5.396 770 HB2 PRO 9 HB2 PRO 9 11.363 -0.341 -5.991 771 HB3 PRO 9 HB3 PRO 9 11.804 1.372 -5.771 772 HG2 PRO 9 HG2 PRO 9 11.419 0.383 -8.251 773 HG3 PRO 9 HG3 PRO 9 12.809 1.473 -7.929 774 HD2 PRO 9 HD2 PRO 9 12.791 -1.540 -8.139 775 HD3 PRO 9 HD3 PRO 9 13.952 -0.357 -8.813 776 H ASP 10 H ASP 10 12.469 0.776 -3.439 777 HA ASP 10 HA ASP 10 13.352 -1.402 -1.717 778 HB2 ASP 10 HB2 ASP 10 11.406 0.829 -1.052 779 HB3 ASP 10 HB3 ASP 10 12.264 -0.217 0.080 780 HN2 TYS 11 HN2 TYS 11 12.452 -3.326 -1.986 781 HA TYS 11 HA TYS 11 9.551 -3.695 -2.221 782 HB2 TYS 11 HB2 TYS 11 11.544 -5.684 -3.268 783 HB3 TYS 11 HB3 TYS 11 9.785 -5.820 -3.230 784 HD1 TYS 11 HD1 TYS 11 11.234 -6.078 -5.776 785 HD2 TYS 11 HD2 TYS 11 9.411 -2.692 -3.861 786 HE1 TYS 11 HE1 TYS 11 10.873 -5.009 -7.918 787 HE2 TYS 11 HE2 TYS 11 9.425 -1.530 -5.777 788 H GLY 12 H GLY 12 9.964 -2.929 -0.448 789 HA2 GLY 12 HA2 GLY 12 8.895 -2.978 1.544 790 HA3 GLY 12 HA3 GLY 12 8.369 -4.557 1.028 791 H HIS 13 H HIS 13 8.292 -4.488 3.586 792 HA HIS 13 HA HIS 13 10.459 -6.271 4.475 793 HB2 HIS 13 HB2 HIS 13 10.807 -4.961 6.508 794 HB3 HIS 13 HB3 HIS 13 11.427 -4.136 5.078 795 HD1 HIS 13 HD1 HIS 13 10.015 -1.932 4.196 796 HD2 HIS 13 HD2 HIS 13 8.578 -3.794 7.725 797 HE1 HIS 13 HE1 HIS 13 8.065 -0.496 5.099 798 HE2 HIS 13 HE2 HIS 13 7.549 -1.379 7.423 799 HN2 TYS 14 HN2 TYS 14 9.914 -7.481 6.293 800 HA TYS 14 HA TYS 14 7.001 -7.596 6.864 801 HB2 TYS 14 HB2 TYS 14 9.274 -9.592 7.122 802 HB3 TYS 14 HB3 TYS 14 7.744 -9.826 7.907 803 HD1 TYS 14 HD1 TYS 14 9.117 -9.283 4.340 804 HD2 TYS 14 HD2 TYS 14 5.927 -10.809 6.857 805 HE1 TYS 14 HE1 TYS 14 8.487 -10.802 2.627 806 HE2 TYS 14 HE2 TYS 14 5.216 -12.244 5.044 807 H ASP 15 H ASP 15 6.192 -6.714 8.511 808 HA ASP 15 HA ASP 15 8.040 -5.520 10.472 809 HB2 ASP 15 HB2 ASP 15 6.578 -3.821 10.646 810 HB3 ASP 15 HB3 ASP 15 6.318 -4.308 8.999 811 H ASP 16 H ASP 16 7.185 -5.042 12.668 812 HA ASP 16 HA ASP 16 5.501 -7.178 13.863 813 HB2 ASP 16 HB2 ASP 16 8.030 -6.095 15.169 814 HB3 ASP 16 HB3 ASP 16 6.969 -7.330 15.816 815 H LYS 17 H LYS 17 6.524 -3.848 13.812 816 HA LYS 17 HA LYS 17 4.453 -3.115 15.843 817 HB2 LYS 17 HB2 LYS 17 5.957 -1.458 16.837 818 HB3 LYS 17 HB3 LYS 17 6.496 -3.111 17.105 819 HG2 LYS 17 HG2 LYS 17 8.294 -2.927 15.579 820 HG3 LYS 17 HG3 LYS 17 7.660 -1.465 14.820 821 HD2 LYS 17 HD2 LYS 17 8.597 -1.546 17.713 822 HD3 LYS 17 HD3 LYS 17 9.649 -1.160 16.339 823 HE2 LYS 17 HE2 LYS 17 8.102 0.697 15.695 824 HE3 LYS 17 HE3 LYS 17 7.134 0.370 17.145 825 HZ1 LYS 17 HZ1 LYS 17 9.997 1.187 17.143 826 HZ2 LYS 17 HZ2 LYS 17 8.720 2.155 17.506 827 HZ3 LYS 17 HZ3 LYS 17 9.089 0.908 18.492 828 H ASP 18 H ASP 18 6.188 -2.195 12.930 829 HA ASP 18 HA ASP 18 5.022 0.440 12.820 830 HB2 ASP 18 HB2 ASP 18 7.128 -0.426 11.617 831 HB3 ASP 18 HB3 ASP 18 6.019 -1.091 10.406 832 H THR 19 H THR 19 3.661 -2.664 12.142 833 HA THR 19 HA THR 19 2.008 -2.460 10.104 834 HB THR 19 HB THR 19 2.007 -4.490 11.426 835 HG1 THR 19 HG1 THR 19 0.417 -4.233 10.182 836 HG21 THR 19 HG21 THR 19 0.399 -3.140 13.573 837 HG22 THR 19 HG22 THR 19 2.146 -3.481 13.706 838 HG23 THR 19 HG23 THR 19 1.024 -4.819 13.492 839 H LEU 20 H LEU 20 -0.108 -2.101 9.567 840 HA LEU 20 HA LEU 20 -1.622 -0.055 11.078 841 HB2 LEU 20 HB2 LEU 20 -1.252 0.544 8.717 842 HB3 LEU 20 HB3 LEU 20 -1.802 -1.066 8.220 843 HG LEU 20 HG LEU 20 -4.049 -0.610 9.055 844 HD11 LEU 20 HD11 LEU 20 -2.931 2.143 9.750 845 HD12 LEU 20 HD12 LEU 20 -3.690 0.987 10.871 846 HD13 LEU 20 HD13 LEU 20 -4.663 1.779 9.627 847 HD21 LEU 20 HD21 LEU 20 -4.633 0.792 7.206 848 HD22 LEU 20 HD22 LEU 20 -3.109 -0.004 6.789 849 HD23 LEU 20 HD23 LEU 20 -3.079 1.677 7.314 850 H ASP 21 H ASP 21 -2.702 -1.129 12.535 851 HA ASP 21 HA ASP 21 -4.160 -3.614 12.157 852 HB2 ASP 21 HB2 ASP 21 -5.311 -2.773 14.281 853 HB3 ASP 21 HB3 ASP 21 -3.622 -3.235 14.355 854 H LEU 22 H LEU 22 -6.030 -3.904 11.311 855 HA LEU 22 HA LEU 22 -7.598 -1.681 10.143 856 HB2 LEU 22 HB2 LEU 22 -6.636 -4.306 9.300 857 HB3 LEU 22 HB3 LEU 22 -8.382 -4.247 9.148 858 HG LEU 22 HG LEU 22 -8.169 -2.258 7.685 859 HD11 LEU 22 HD11 LEU 22 -5.199 -2.733 8.200 860 HD12 LEU 22 HD12 LEU 22 -6.122 -1.244 8.493 861 HD13 LEU 22 HD13 LEU 22 -5.837 -1.782 6.828 862 HD21 LEU 22 HD21 LEU 22 -6.314 -4.568 6.960 863 HD22 LEU 22 HD22 LEU 22 -7.100 -3.457 5.812 864 HD23 LEU 22 HD23 LEU 22 -8.088 -4.582 6.784 865 H ASN 23 H ASN 23 -7.915 -3.229 12.982 866 HA ASN 23 HA ASN 23 -10.884 -2.997 12.930 867 HB2 ASN 23 HB2 ASN 23 -11.199 -5.184 13.910 868 HB3 ASN 23 HB3 ASN 23 -10.316 -5.351 12.414 869 HD21 ASN 23 HD21 ASN 23 -7.955 -5.801 12.566 870 HD22 ASN 23 HD22 ASN 23 -7.361 -6.575 14.022 871 H THR 24 H THR 24 -7.979 -3.134 15.059 872 HA THR 24 HA THR 24 -9.208 -1.312 16.896 873 HB THR 24 HB THR 24 -10.235 -3.611 17.457 874 HG1 THR 24 HG1 THR 24 -9.025 -2.480 19.711 875 HG21 THR 24 HG21 THR 24 -7.620 -4.066 18.933 876 HG22 THR 24 HG22 THR 24 -8.138 -4.948 17.482 877 HG23 THR 24 HG23 THR 24 -9.086 -5.064 18.974 878 HA PRO 25 HA PRO 25 -4.774 -0.775 17.398 879 HB2 PRO 25 HB2 PRO 25 -4.611 0.986 19.454 880 HB3 PRO 25 HB3 PRO 25 -5.385 1.416 17.896 881 HG2 PRO 25 HG2 PRO 25 -6.753 0.433 20.420 882 HG3 PRO 25 HG3 PRO 25 -7.095 1.918 19.482 883 HD2 PRO 25 HD2 PRO 25 -8.500 -0.368 19.071 884 HD3 PRO 25 HD3 PRO 25 -8.055 0.658 17.687 885 H VAL 26 H VAL 26 -3.007 -0.854 18.938 886 HA VAL 26 HA VAL 26 -2.613 -3.083 20.611 887 HB VAL 26 HB VAL 26 -1.509 -0.253 20.779 888 HG11 VAL 26 HG11 VAL 26 0.423 -1.237 22.023 889 HG12 VAL 26 HG12 VAL 26 -0.453 -2.776 22.150 890 HG13 VAL 26 HG13 VAL 26 -1.069 -1.309 22.950 891 HG21 VAL 26 HG21 VAL 26 0.454 -1.186 19.644 892 HG22 VAL 26 HG22 VAL 26 -0.989 -1.500 18.673 893 HG23 VAL 26 HG23 VAL 26 -0.274 -2.799 19.638 894 H ASP 27 H ASP 27 -3.222 -3.671 22.622 895 HA ASP 27 HA ASP 27 -4.629 -1.719 24.428 896 HB2 ASP 27 HB2 ASP 27 -6.217 -3.134 23.072 897 HB3 ASP 27 HB3 ASP 27 -5.529 -4.566 23.834 898 H LYS 28 H LYS 28 -2.610 -4.581 24.151 899 HA LYS 28 HA LYS 28 -2.065 -4.701 27.052 900 HB2 LYS 28 HB2 LYS 28 -4.272 -5.856 26.513 901 HB3 LYS 28 HB3 LYS 28 -3.394 -6.979 25.499 902 HG2 LYS 28 HG2 LYS 28 -3.911 -7.959 27.670 903 HG3 LYS 28 HG3 LYS 28 -2.170 -7.834 27.448 904 HD2 LYS 28 HD2 LYS 28 -2.899 -7.248 29.754 905 HD3 LYS 28 HD3 LYS 28 -2.022 -5.965 28.949 906 HE2 LYS 28 HE2 LYS 28 -3.828 -4.965 30.158 907 HE3 LYS 28 HE3 LYS 28 -4.179 -4.804 28.435 908 HZ1 LYS 28 HZ1 LYS 28 -5.384 -6.834 30.255 909 HZ2 LYS 28 HZ2 LYS 28 -6.113 -5.476 29.661 910 HZ3 LYS 28 HZ3 LYS 28 -5.731 -6.672 28.642 911 HN1 NH2 29 HN1 NH2 29 0.977 -6.227 26.239 912 HN2 NH2 29 HN2 NH2 29 0.049 -5.205 27.320 Start of MODEL 16 1 H1 ASN 31 H1 ASN 31 5.497 16.456 -2.119 2 H2 ASN 31 H2 ASN 31 5.199 17.807 -1.245 3 H3 ASN 31 H3 ASN 31 4.300 16.442 -0.992 4 HA ASN 31 HA ASN 31 3.210 16.558 -3.014 5 HB2 ASN 31 HB2 ASN 31 3.359 19.339 -1.754 6 HB3 ASN 31 HB3 ASN 31 2.186 18.855 -2.973 7 HD21 ASN 31 HD21 ASN 31 0.368 19.183 -1.535 8 HD22 ASN 31 HD22 ASN 31 0.051 18.004 -0.254 9 H SER 32 H SER 32 4.324 16.125 -4.848 10 HA SER 32 HA SER 32 5.294 18.419 -6.476 11 HB2 SER 32 HB2 SER 32 7.072 16.095 -5.636 12 HB3 SER 32 HB3 SER 32 7.394 17.099 -7.058 13 HG SER 32 HG SER 32 7.297 17.922 -4.343 14 H GLY 33 H GLY 33 4.191 15.047 -6.322 15 HA2 GLY 33 HA2 GLY 33 3.263 15.079 -9.019 16 HA3 GLY 33 HA3 GLY 33 4.789 14.199 -8.950 17 H LEU 34 H LEU 34 2.681 12.909 -9.857 18 HA LEU 34 HA LEU 34 1.740 11.030 -7.749 19 HB2 LEU 34 HB2 LEU 34 0.000 12.567 -9.729 20 HB3 LEU 34 HB3 LEU 34 -0.578 11.313 -8.637 21 HG LEU 34 HG LEU 34 0.523 13.999 -7.719 22 HD11 LEU 34 HD11 LEU 34 -2.338 13.013 -8.058 23 HD12 LEU 34 HD12 LEU 34 -1.538 14.281 -9.005 24 HD13 LEU 34 HD13 LEU 34 -1.850 14.534 -7.281 25 HD21 LEU 34 HD21 LEU 34 0.688 12.198 -6.011 26 HD22 LEU 34 HD22 LEU 34 -1.039 11.831 -6.243 27 HD23 LEU 34 HD23 LEU 34 -0.539 13.405 -5.593 28 HA PRO 35 HA PRO 35 1.847 8.155 -11.396 29 HB2 PRO 35 HB2 PRO 35 0.035 6.527 -9.678 30 HB3 PRO 35 HB3 PRO 35 1.544 6.047 -10.499 31 HG2 PRO 35 HG2 PRO 35 1.434 6.407 -7.779 32 HG3 PRO 35 HG3 PRO 35 2.877 6.849 -8.742 33 HD2 PRO 35 HD2 PRO 35 0.707 8.674 -7.718 34 HD3 PRO 35 HD3 PRO 35 2.485 8.895 -7.716 35 H THR 36 H THR 36 -0.627 9.646 -9.608 36 HA THR 36 HA THR 36 -2.651 10.439 -9.827 37 HB THR 36 HB THR 36 -1.170 11.623 -11.463 38 HG1 THR 36 HG1 THR 36 -2.610 13.066 -11.616 39 HG21 THR 36 HG21 THR 36 -3.138 10.469 -13.474 40 HG22 THR 36 HG22 THR 36 -1.366 10.272 -13.468 41 HG23 THR 36 HG23 THR 36 -2.075 11.864 -13.746 42 H THR 37 H THR 37 -2.340 7.444 -11.383 43 HA THR 37 HA THR 37 -5.154 7.192 -10.605 44 HB THR 37 HB THR 37 -5.681 5.567 -12.344 45 HG1 THR 37 HG1 THR 37 -3.404 6.552 -13.713 46 HG21 THR 37 HG21 THR 37 -6.429 7.895 -12.641 47 HG22 THR 37 HG22 THR 37 -6.114 7.087 -14.184 48 HG23 THR 37 HG23 THR 37 -4.948 8.262 -13.547 49 H LEU 38 H LEU 38 -5.614 5.407 -9.416 50 HA LEU 38 HA LEU 38 -3.577 3.946 -8.180 51 HB2 LEU 38 HB2 LEU 38 -6.162 4.344 -7.724 52 HB3 LEU 38 HB3 LEU 38 -6.315 2.745 -8.459 53 HG LEU 38 HG LEU 38 -4.835 3.560 -5.973 54 HD11 LEU 38 HD11 LEU 38 -7.259 3.390 -5.724 55 HD12 LEU 38 HD12 LEU 38 -6.480 2.060 -4.860 56 HD13 LEU 38 HD13 LEU 38 -7.246 1.757 -6.430 57 HD21 LEU 38 HD21 LEU 38 -4.497 1.062 -5.588 58 HD22 LEU 38 HD22 LEU 38 -3.497 1.741 -6.867 59 HD23 LEU 38 HD23 LEU 38 -4.955 0.804 -7.280 60 H GLY 39 H GLY 39 -5.403 3.060 -11.123 61 HA2 GLY 39 HA2 GLY 39 -4.702 0.435 -11.590 62 HA3 GLY 39 HA3 GLY 39 -4.792 1.660 -12.859 63 H LYS 40 H LYS 40 -2.448 3.182 -11.981 64 HA LYS 40 HA LYS 40 -0.325 1.453 -13.107 65 HB2 LYS 40 HB2 LYS 40 -0.311 4.385 -12.251 66 HB3 LYS 40 HB3 LYS 40 1.018 3.524 -13.047 67 HG2 LYS 40 HG2 LYS 40 -0.521 3.028 -14.982 68 HG3 LYS 40 HG3 LYS 40 -1.747 4.058 -14.219 69 HD2 LYS 40 HD2 LYS 40 -0.159 5.983 -14.308 70 HD3 LYS 40 HD3 LYS 40 1.034 4.937 -15.105 71 HE2 LYS 40 HE2 LYS 40 -0.662 4.477 -16.918 72 HE3 LYS 40 HE3 LYS 40 -1.751 5.640 -16.146 73 HZ1 LYS 40 HZ1 LYS 40 0.948 6.296 -17.206 74 HZ2 LYS 40 HZ2 LYS 40 -0.065 7.352 -16.507 75 HZ3 LYS 40 HZ3 LYS 40 -0.496 6.657 -17.942 76 H LEU 41 H LEU 41 -1.111 2.933 -9.976 77 HA LEU 41 HA LEU 41 1.404 2.235 -8.727 78 HB2 LEU 41 HB2 LEU 41 -0.009 4.058 -7.888 79 HB3 LEU 41 HB3 LEU 41 -1.321 2.922 -7.551 80 HG LEU 41 HG LEU 41 0.075 1.775 -5.862 81 HD11 LEU 41 HD11 LEU 41 2.130 3.962 -6.425 82 HD12 LEU 41 HD12 LEU 41 2.349 2.220 -6.720 83 HD13 LEU 41 HD13 LEU 41 2.157 2.803 -5.076 84 HD21 LEU 41 HD21 LEU 41 -1.358 3.617 -5.159 85 HD22 LEU 41 HD22 LEU 41 -0.030 4.771 -5.449 86 HD23 LEU 41 HD23 LEU 41 0.129 3.523 -4.181 87 H ASP 42 H ASP 42 -1.786 0.606 -8.885 88 HA ASP 42 HA ASP 42 -1.258 -1.662 -7.255 89 HB2 ASP 42 HB2 ASP 42 -3.454 -1.085 -8.135 90 HB3 ASP 42 HB3 ASP 42 -2.894 -1.268 -9.797 91 H GLU 43 H GLU 43 -0.389 -1.071 -10.641 92 HA GLU 43 HA GLU 43 0.754 -3.662 -11.147 93 HB2 GLU 43 HB2 GLU 43 -0.111 -2.102 -12.864 94 HB3 GLU 43 HB3 GLU 43 1.242 -1.009 -12.572 95 HG2 GLU 43 HG2 GLU 43 2.838 -2.586 -13.404 96 HG3 GLU 43 HG3 GLU 43 1.671 -3.913 -13.344 97 H ARG 44 H ARG 44 2.077 -0.720 -9.705 98 HA ARG 44 HA ARG 44 4.848 -1.740 -9.615 99 HB2 ARG 44 HB2 ARG 44 4.411 0.671 -9.576 100 HB3 ARG 44 HB3 ARG 44 3.515 0.519 -8.062 101 HG2 ARG 44 HG2 ARG 44 5.426 -0.132 -6.837 102 HG3 ARG 44 HG3 ARG 44 6.318 -0.573 -8.300 103 HD2 ARG 44 HD2 ARG 44 5.543 2.305 -7.785 104 HD3 ARG 44 HD3 ARG 44 6.967 1.553 -7.034 105 HE ARG 44 HE ARG 44 7.268 0.901 -9.700 106 HH11 ARG 44 HH11 ARG 44 7.015 3.992 -8.038 107 HH12 ARG 44 HH12 ARG 44 8.091 4.759 -9.164 108 HH21 ARG 44 HH21 ARG 44 8.661 1.948 -11.043 109 HH22 ARG 44 HH22 ARG 44 9.013 3.642 -10.771 110 H LEU 45 H LEU 45 2.177 -1.413 -7.236 111 HA LEU 45 HA LEU 45 3.697 -2.554 -5.108 112 HB2 LEU 45 HB2 LEU 45 0.705 -2.150 -5.521 113 HB3 LEU 45 HB3 LEU 45 1.388 -2.724 -4.004 114 HG LEU 45 HG LEU 45 2.076 -0.039 -5.286 115 HD11 LEU 45 HD11 LEU 45 -0.246 -0.163 -4.520 116 HD12 LEU 45 HD12 LEU 45 0.711 0.860 -3.424 117 HD13 LEU 45 HD13 LEU 45 0.282 -0.800 -2.956 118 HD21 LEU 45 HD21 LEU 45 3.934 -0.753 -3.899 119 HD22 LEU 45 HD22 LEU 45 2.828 -1.274 -2.602 120 HD23 LEU 45 HD23 LEU 45 3.003 0.441 -2.998 121 H ARG 46 H ARG 46 1.343 -4.225 -7.276 122 HA ARG 46 HA ARG 46 1.455 -6.728 -5.798 123 HB2 ARG 46 HB2 ARG 46 0.813 -6.160 -8.725 124 HB3 ARG 46 HB3 ARG 46 0.674 -7.744 -7.951 125 HG2 ARG 46 HG2 ARG 46 -0.927 -6.734 -6.276 126 HG3 ARG 46 HG3 ARG 46 -0.884 -5.236 -7.217 127 HD2 ARG 46 HD2 ARG 46 -1.578 -6.658 -9.242 128 HD3 ARG 46 HD3 ARG 46 -1.890 -7.969 -8.095 129 HE ARG 46 HE ARG 46 -3.184 -5.245 -8.044 130 HH11 ARG 46 HH11 ARG 46 -3.785 -8.730 -7.573 131 HH12 ARG 46 HH12 ARG 46 -5.512 -8.386 -7.489 132 HH21 ARG 46 HH21 ARG 46 -5.149 -4.998 -7.600 133 HH22 ARG 46 HH22 ARG 46 -6.239 -6.371 -7.257 134 H ASN 47 H ASN 47 3.562 -5.267 -8.211 135 HA ASN 47 HA ASN 47 5.239 -7.685 -8.455 136 HB2 ASN 47 HB2 ASN 47 5.384 -4.850 -9.539 137 HB3 ASN 47 HB3 ASN 47 6.746 -5.957 -9.624 138 HD21 ASN 47 HD21 ASN 47 3.710 -5.144 -11.081 139 HD22 ASN 47 HD22 ASN 47 3.781 -6.448 -12.268 140 H TYR 48 H TYR 48 5.436 -4.585 -6.577 141 HA TYR 48 HA TYR 48 7.880 -5.302 -5.379 142 HB2 TYR 48 HB2 TYR 48 5.652 -3.508 -4.398 143 HB3 TYR 48 HB3 TYR 48 7.035 -3.892 -3.492 144 HD1 TYR 48 HD1 TYR 48 7.166 -3.049 -7.176 145 HD2 TYR 48 HD2 TYR 48 8.003 -1.866 -3.119 146 HE1 TYR 48 HE1 TYR 48 8.557 -1.158 -7.995 147 HE2 TYR 48 HE2 TYR 48 9.325 0.042 -3.944 148 HH TYR 48 HH TYR 48 9.998 1.233 -5.745 149 H LEU 49 H LEU 49 4.617 -6.395 -4.527 150 HA LEU 49 HA LEU 49 5.408 -7.780 -2.165 151 HB2 LEU 49 HB2 LEU 49 3.047 -7.502 -3.768 152 HB3 LEU 49 HB3 LEU 49 3.387 -9.221 -3.784 153 HG LEU 49 HG LEU 49 2.954 -7.463 -1.354 154 HD11 LEU 49 HD11 LEU 49 0.905 -8.080 -2.626 155 HD12 LEU 49 HD12 LEU 49 0.948 -8.894 -1.048 156 HD13 LEU 49 HD13 LEU 49 1.360 -9.796 -2.517 157 HD21 LEU 49 HD21 LEU 49 2.990 -9.524 -0.010 158 HD22 LEU 49 HD22 LEU 49 4.537 -9.105 -0.709 159 HD23 LEU 49 HD23 LEU 49 3.589 -10.422 -1.433 160 H LYS 50 H LYS 50 5.415 -8.979 -5.541 161 HA LYS 50 HA LYS 50 6.499 -11.596 -4.889 162 HB2 LYS 50 HB2 LYS 50 6.670 -9.986 -7.471 163 HB3 LYS 50 HB3 LYS 50 7.058 -11.702 -7.278 164 HG2 LYS 50 HG2 LYS 50 4.738 -12.202 -6.645 165 HG3 LYS 50 HG3 LYS 50 4.290 -10.501 -6.810 166 HD2 LYS 50 HD2 LYS 50 5.360 -12.267 -9.045 167 HD3 LYS 50 HD3 LYS 50 3.660 -11.890 -8.765 168 HE2 LYS 50 HE2 LYS 50 4.080 -9.496 -9.149 169 HE3 LYS 50 HE3 LYS 50 5.812 -9.807 -9.376 170 HZ1 LYS 50 HZ1 LYS 50 4.598 -9.671 -11.500 171 HZ2 LYS 50 HZ2 LYS 50 3.668 -10.955 -11.069 172 HZ3 LYS 50 HZ3 LYS 50 5.293 -11.153 -11.282 173 H LYS 51 H LYS 51 8.010 -8.526 -5.776 174 HA LYS 51 HA LYS 51 10.729 -9.500 -5.872 175 HB2 LYS 51 HB2 LYS 51 9.401 -6.811 -5.785 176 HB3 LYS 51 HB3 LYS 51 11.172 -6.978 -5.795 177 HG2 LYS 51 HG2 LYS 51 11.140 -8.112 -7.884 178 HG3 LYS 51 HG3 LYS 51 9.364 -8.223 -7.887 179 HD2 LYS 51 HD2 LYS 51 9.085 -5.894 -8.232 180 HD3 LYS 51 HD3 LYS 51 10.800 -5.576 -7.841 181 HE2 LYS 51 HE2 LYS 51 11.603 -6.548 -9.763 182 HE3 LYS 51 HE3 LYS 51 10.071 -7.358 -10.140 183 HZ1 LYS 51 HZ1 LYS 51 9.134 -5.229 -10.793 184 HZ2 LYS 51 HZ2 LYS 51 10.487 -4.410 -10.295 185 HZ3 LYS 51 HZ3 LYS 51 10.554 -5.398 -11.562 186 H GLY 52 H GLY 52 8.827 -8.156 -3.164 187 HA2 GLY 52 HA2 GLY 52 11.322 -7.951 -1.547 188 HA3 GLY 52 HA3 GLY 52 9.792 -7.147 -1.274 189 H THR 53 H THR 53 8.479 -10.039 -1.723 190 HA THR 53 HA THR 53 9.136 -11.132 0.968 191 HB THR 53 HB THR 53 7.148 -12.391 0.858 192 HG1 THR 53 HG1 THR 53 6.592 -11.238 -1.684 193 HG21 THR 53 HG21 THR 53 5.382 -10.745 0.726 194 HG22 THR 53 HG22 THR 53 6.499 -9.614 -0.096 195 HG23 THR 53 HG23 THR 53 6.785 -10.103 1.570 196 H LYS 54 H LYS 54 9.209 -13.506 1.192 197 HA LYS 54 HA LYS 54 10.804 -14.797 -0.871 198 HB2 LYS 54 HB2 LYS 54 9.497 -15.899 1.648 199 HB3 LYS 54 HB3 LYS 54 10.584 -16.809 0.607 200 HG2 LYS 54 HG2 LYS 54 12.445 -15.458 1.113 201 HG3 LYS 54 HG3 LYS 54 11.472 -14.149 1.794 202 HD2 LYS 54 HD2 LYS 54 10.813 -15.570 3.690 203 HD3 LYS 54 HD3 LYS 54 11.813 -16.885 3.070 204 HE2 LYS 54 HE2 LYS 54 12.799 -14.096 3.858 205 HE3 LYS 54 HE3 LYS 54 12.898 -15.531 4.885 206 HZ1 LYS 54 HZ1 LYS 54 15.011 -15.195 3.741 207 HZ2 LYS 54 HZ2 LYS 54 14.315 -16.571 3.179 208 HZ3 LYS 54 HZ3 LYS 54 14.293 -15.191 2.285 209 H ASN 55 H ASN 55 7.388 -14.897 0.142 210 HA ASN 55 HA ASN 55 6.645 -15.867 -2.544 211 HB2 ASN 55 HB2 ASN 55 6.851 -17.929 -1.217 212 HB3 ASN 55 HB3 ASN 55 5.940 -17.202 0.106 213 HD21 ASN 55 HD21 ASN 55 4.455 -18.982 0.045 214 HD22 ASN 55 HD22 ASN 55 3.181 -18.981 -1.168 215 H SER 56 H SER 56 5.292 -14.444 -3.314 216 HA SER 56 HA SER 56 3.597 -12.713 -1.715 217 HB2 SER 56 HB2 SER 56 4.473 -11.740 -3.620 218 HB3 SER 56 HB3 SER 56 4.207 -13.162 -4.620 219 HG SER 56 HG SER 56 2.213 -12.663 -4.985 220 H ALA 57 H ALA 57 3.046 -15.928 -3.031 221 HA ALA 57 HA ALA 57 0.322 -15.532 -3.753 222 HB1 ALA 57 HB1 ALA 57 0.288 -17.991 -4.029 223 HB2 ALA 57 HB2 ALA 57 1.836 -18.111 -3.173 224 HB3 ALA 57 HB3 ALA 57 1.737 -17.270 -4.739 225 H GLN 58 H GLN 58 1.485 -15.802 -0.574 226 HA GLN 58 HA GLN 58 -0.894 -17.062 0.581 227 HB2 GLN 58 HB2 GLN 58 0.249 -16.639 2.697 228 HB3 GLN 58 HB3 GLN 58 1.335 -17.407 1.538 229 HG2 GLN 58 HG2 GLN 58 2.302 -15.114 1.020 230 HG3 GLN 58 HG3 GLN 58 1.322 -14.450 2.313 231 HE21 GLN 58 HE21 GLN 58 4.346 -15.058 1.622 232 HE22 GLN 58 HE22 GLN 58 4.898 -15.776 3.116 233 H PHE 59 H PHE 59 -0.191 -13.923 -0.590 234 HA PHE 59 HA PHE 59 -1.666 -12.468 1.482 235 HB2 PHE 59 HB2 PHE 59 -0.134 -11.589 -0.953 236 HB3 PHE 59 HB3 PHE 59 -1.065 -10.499 0.064 237 HD1 PHE 59 HD1 PHE 59 -0.449 -10.023 2.370 238 HD2 PHE 59 HD2 PHE 59 1.987 -12.619 -0.033 239 HE1 PHE 59 HE1 PHE 59 1.369 -9.859 4.048 240 HE2 PHE 59 HE2 PHE 59 3.817 -12.449 1.627 241 HZ PHE 59 HZ PHE 59 3.516 -11.057 3.660 242 H GLU 60 H GLU 60 -3.495 -11.280 1.259 243 HA GLU 60 HA GLU 60 -5.420 -12.280 -0.827 244 HB2 GLU 60 HB2 GLU 60 -5.703 -13.551 1.161 245 HB3 GLU 60 HB3 GLU 60 -5.609 -12.121 2.192 246 HG2 GLU 60 HG2 GLU 60 -7.777 -11.328 1.400 247 HG3 GLU 60 HG3 GLU 60 -7.863 -12.644 0.216 248 H LYS 61 H LYS 61 -4.401 -9.545 1.192 249 HA LYS 61 HA LYS 61 -5.585 -7.796 -0.798 250 HB2 LYS 61 HB2 LYS 61 -6.960 -6.439 0.616 251 HB3 LYS 61 HB3 LYS 61 -7.499 -8.105 0.727 252 HG2 LYS 61 HG2 LYS 61 -6.355 -8.341 2.923 253 HG3 LYS 61 HG3 LYS 61 -5.793 -6.665 2.805 254 HD2 LYS 61 HD2 LYS 61 -7.979 -5.793 2.923 255 HD3 LYS 61 HD3 LYS 61 -8.725 -7.344 2.570 256 HE2 LYS 61 HE2 LYS 61 -7.065 -6.767 5.068 257 HE3 LYS 61 HE3 LYS 61 -8.812 -6.542 4.999 258 HZ1 LYS 61 HZ1 LYS 61 -7.469 -9.184 4.648 259 HZ2 LYS 61 HZ2 LYS 61 -9.084 -8.909 4.599 260 HZ3 LYS 61 HZ3 LYS 61 -8.256 -8.654 5.978 261 H MET 62 H MET 62 -5.228 -5.524 -0.257 262 HA MET 62 HA MET 62 -2.847 -4.862 1.325 263 HB2 MET 62 HB2 MET 62 -1.570 -3.920 -0.461 264 HB3 MET 62 HB3 MET 62 -1.946 -5.593 -0.878 265 HG2 MET 62 HG2 MET 62 -3.687 -4.860 -2.432 266 HG3 MET 62 HG3 MET 62 -3.407 -3.171 -1.981 267 HE1 MET 62 HE1 MET 62 -3.144 -2.450 -4.487 268 HE2 MET 62 HE2 MET 62 -3.434 -4.128 -5.010 269 HE3 MET 62 HE3 MET 62 -2.037 -3.232 -5.636 270 H VAL 63 H VAL 63 -2.515 -2.580 1.582 271 HA VAL 63 HA VAL 63 -4.720 -0.770 0.797 272 HB VAL 63 HB VAL 63 -5.361 -1.908 2.930 273 HG11 VAL 63 HG11 VAL 63 -4.187 -1.804 4.855 274 HG12 VAL 63 HG12 VAL 63 -3.177 -0.405 4.334 275 HG13 VAL 63 HG13 VAL 63 -2.886 -2.012 3.690 276 HG21 VAL 63 HG21 VAL 63 -6.257 0.336 2.561 277 HG22 VAL 63 HG22 VAL 63 -4.815 1.064 3.302 278 HG23 VAL 63 HG23 VAL 63 -5.904 0.051 4.264 279 H ILE 64 H ILE 64 -4.148 1.385 0.788 280 HA ILE 64 HA ILE 64 -1.183 1.880 0.750 281 HB ILE 64 HB ILE 64 -3.347 2.784 -1.186 282 HG12 ILE 64 HG12 ILE 64 -1.262 0.640 -1.734 283 HG13 ILE 64 HG13 ILE 64 -2.914 0.260 -1.267 284 HG21 ILE 64 HG21 ILE 64 -0.309 2.900 -1.474 285 HG22 ILE 64 HG22 ILE 64 -1.337 4.284 -1.035 286 HG23 ILE 64 HG23 ILE 64 -1.524 3.535 -2.607 287 HD11 ILE 64 HD11 ILE 64 -3.776 1.471 -3.247 288 HD12 ILE 64 HD12 ILE 64 -2.786 0.048 -3.614 289 HD13 ILE 64 HD13 ILE 64 -2.096 1.669 -3.812 290 H LEU 65 H LEU 65 -0.498 3.725 1.746 291 HA LEU 65 HA LEU 65 -2.502 5.839 2.406 292 HB2 LEU 65 HB2 LEU 65 -0.058 5.291 4.093 293 HB3 LEU 65 HB3 LEU 65 -1.405 6.355 4.432 294 HG LEU 65 HG LEU 65 -1.446 3.318 4.480 295 HD11 LEU 65 HD11 LEU 65 -1.819 3.629 6.897 296 HD12 LEU 65 HD12 LEU 65 -1.747 5.390 6.697 297 HD13 LEU 65 HD13 LEU 65 -0.302 4.411 6.392 298 HD21 LEU 65 HD21 LEU 65 -3.668 5.309 5.129 299 HD22 LEU 65 HD22 LEU 65 -3.728 3.553 5.425 300 HD23 LEU 65 HD23 LEU 65 -3.673 4.166 3.772 301 H THR 66 H THR 66 -2.041 7.784 1.575 302 HA THR 66 HA THR 66 0.669 8.207 0.354 303 HB THR 66 HB THR 66 -0.424 9.529 -1.346 304 HG1 THR 66 HG1 THR 66 -2.167 10.347 -0.263 305 HG21 THR 66 HG21 THR 66 -0.237 7.092 -1.730 306 HG22 THR 66 HG22 THR 66 -1.627 7.821 -2.558 307 HG23 THR 66 HG23 THR 66 -1.882 6.879 -1.074 308 H GLU 67 H GLU 67 1.133 10.633 -0.127 309 HA GLU 67 HA GLU 67 0.833 12.406 2.091 310 HB2 GLU 67 HB2 GLU 67 0.720 13.403 -0.753 311 HB3 GLU 67 HB3 GLU 67 1.366 14.199 0.654 312 HG2 GLU 67 HG2 GLU 67 3.351 12.851 0.625 313 HG3 GLU 67 HG3 GLU 67 2.684 11.744 -0.572 314 H ASN 68 H ASN 68 -0.609 14.364 2.115 315 HA ASN 68 HA ASN 68 -2.656 15.311 2.296 316 HB2 ASN 68 HB2 ASN 68 -2.992 14.233 -0.516 317 HB3 ASN 68 HB3 ASN 68 -3.815 15.624 0.155 318 HD21 ASN 68 HD21 ASN 68 -1.644 15.097 -2.055 319 HD22 ASN 68 HD22 ASN 68 -0.442 16.343 -1.692 320 H LYS 69 H LYS 69 -2.436 12.742 3.387 321 HA LYS 69 HA LYS 69 -3.548 11.105 4.445 322 HB2 LYS 69 HB2 LYS 69 -5.728 13.217 4.445 323 HB3 LYS 69 HB3 LYS 69 -5.627 11.836 5.548 324 HG2 LYS 69 HG2 LYS 69 -3.443 12.620 6.393 325 HG3 LYS 69 HG3 LYS 69 -3.545 14.057 5.364 326 HD2 LYS 69 HD2 LYS 69 -5.606 13.343 7.489 327 HD3 LYS 69 HD3 LYS 69 -4.213 14.413 7.747 328 HE2 LYS 69 HE2 LYS 69 -4.970 15.960 6.060 329 HE3 LYS 69 HE3 LYS 69 -6.312 14.909 5.586 330 HZ1 LYS 69 HZ1 LYS 69 -6.055 16.013 8.316 331 HZ2 LYS 69 HZ2 LYS 69 -7.378 15.300 7.637 332 HZ3 LYS 69 HZ3 LYS 69 -6.869 16.785 7.116 333 H GLY 70 H GLY 70 -3.761 10.787 1.555 334 HA2 GLY 70 HA2 GLY 70 -6.346 9.632 0.964 335 HA3 GLY 70 HA3 GLY 70 -4.860 9.361 0.062 336 H TYR 71 H TYR 71 -7.103 7.617 1.198 337 HA TYR 71 HA TYR 71 -5.376 5.351 2.070 338 HB2 TYR 71 HB2 TYR 71 -6.442 6.276 4.057 339 HB3 TYR 71 HB3 TYR 71 -8.019 6.197 3.302 340 HD1 TYR 71 HD1 TYR 71 -8.795 3.710 2.555 341 HD2 TYR 71 HD2 TYR 71 -5.911 4.617 5.645 342 HE1 TYR 71 HE1 TYR 71 -9.221 1.515 3.605 343 HE2 TYR 71 HE2 TYR 71 -6.433 2.474 6.738 344 HH TYR 71 HH TYR 71 -8.681 0.068 5.318 345 H TYR 72 H TYR 72 -5.713 3.604 0.825 346 HA TYR 72 HA TYR 72 -8.275 3.218 -0.679 347 HB2 TYR 72 HB2 TYR 72 -5.525 2.924 -1.941 348 HB3 TYR 72 HB3 TYR 72 -7.089 2.851 -2.726 349 HD1 TYR 72 HD1 TYR 72 -4.499 5.080 -1.290 350 HD2 TYR 72 HD2 TYR 72 -8.296 4.890 -3.337 351 HE1 TYR 72 HE1 TYR 72 -4.329 7.512 -1.837 352 HE2 TYR 72 HE2 TYR 72 -8.108 7.293 -3.903 353 HH TYR 72 HH TYR 72 -6.942 9.200 -3.606 354 H THR 73 H THR 73 -8.805 0.980 -0.967 355 HA THR 73 HA THR 73 -6.765 -1.005 -0.037 356 HB THR 73 HB THR 73 -8.284 -0.402 1.807 357 HG1 THR 73 HG1 THR 73 -8.667 -2.490 2.370 358 HG21 THR 73 HG21 THR 73 -10.443 -1.772 0.162 359 HG22 THR 73 HG22 THR 73 -10.401 -0.060 0.648 360 HG23 THR 73 HG23 THR 73 -10.551 -1.324 1.875 361 H VAL 74 H VAL 74 -6.781 -3.012 -0.908 362 HA VAL 74 HA VAL 74 -8.471 -3.517 -3.315 363 HB VAL 74 HB VAL 74 -5.427 -3.360 -3.336 364 HG11 VAL 74 HG11 VAL 74 -5.715 -3.722 -5.800 365 HG12 VAL 74 HG12 VAL 74 -7.436 -4.070 -5.513 366 HG13 VAL 74 HG13 VAL 74 -6.171 -5.118 -4.830 367 HG21 VAL 74 HG21 VAL 74 -6.331 -1.092 -3.410 368 HG22 VAL 74 HG22 VAL 74 -7.471 -1.559 -4.693 369 HG23 VAL 74 HG23 VAL 74 -5.721 -1.541 -5.000 370 H TYR 75 H TYR 75 -9.085 -5.593 -3.363 371 HA TYR 75 HA TYR 75 -7.719 -7.618 -1.723 372 HB2 TYR 75 HB2 TYR 75 -10.087 -7.715 -3.609 373 HB3 TYR 75 HB3 TYR 75 -9.379 -9.151 -2.883 374 HD1 TYR 75 HD1 TYR 75 -9.210 -9.345 -0.339 375 HD2 TYR 75 HD2 TYR 75 -11.642 -6.387 -2.321 376 HE1 TYR 75 HE1 TYR 75 -10.524 -9.021 1.739 377 HE2 TYR 75 HE2 TYR 75 -12.963 -6.066 -0.235 378 HH TYR 75 HH TYR 75 -13.196 -6.650 2.017 379 H LEU 76 H LEU 76 -6.427 -9.190 -2.381 380 HA LEU 76 HA LEU 76 -5.196 -9.035 -5.085 381 HB2 LEU 76 HB2 LEU 76 -4.333 -10.405 -2.511 382 HB3 LEU 76 HB3 LEU 76 -3.416 -10.422 -4.008 383 HG LEU 76 HG LEU 76 -4.118 -7.848 -2.523 384 HD11 LEU 76 HD11 LEU 76 -2.694 -9.248 -1.132 385 HD12 LEU 76 HD12 LEU 76 -1.797 -7.860 -1.760 386 HD13 LEU 76 HD13 LEU 76 -1.555 -9.471 -2.482 387 HD21 LEU 76 HD21 LEU 76 -2.165 -8.446 -4.782 388 HD22 LEU 76 HD22 LEU 76 -2.271 -6.907 -3.897 389 HD23 LEU 76 HD23 LEU 76 -3.633 -7.443 -4.876 390 H ASN 77 H ASN 77 -7.702 -10.709 -3.711 391 HA ASN 77 HA ASN 77 -7.403 -13.324 -4.902 392 HB2 ASN 77 HB2 ASN 77 -9.859 -11.643 -4.205 393 HB3 ASN 77 HB3 ASN 77 -9.926 -13.325 -4.692 394 HD21 ASN 77 HD21 ASN 77 -10.701 -11.899 -2.149 395 HD22 ASN 77 HD22 ASN 77 -10.028 -13.018 -0.975 396 H THR 78 H THR 78 -7.894 -10.218 -6.390 397 HA THR 78 HA THR 78 -8.466 -11.307 -9.025 398 HB THR 78 HB THR 78 -10.701 -11.130 -8.268 399 HG1 THR 78 HG1 THR 78 -10.872 -8.605 -9.169 400 HG21 THR 78 HG21 THR 78 -10.549 -9.902 -6.182 401 HG22 THR 78 HG22 THR 78 -9.985 -8.437 -7.019 402 HG23 THR 78 HG23 THR 78 -11.650 -9.010 -7.230 403 HA PRO 79 HA PRO 79 -6.089 -7.638 -10.155 404 HB2 PRO 79 HB2 PRO 79 -7.081 -7.188 -12.684 405 HB3 PRO 79 HB3 PRO 79 -5.966 -8.534 -12.294 406 HG2 PRO 79 HG2 PRO 79 -8.981 -8.617 -12.378 407 HG3 PRO 79 HG3 PRO 79 -7.844 -9.703 -13.254 408 HD2 PRO 79 HD2 PRO 79 -8.996 -10.418 -10.938 409 HD3 PRO 79 HD3 PRO 79 -7.274 -10.779 -11.148 410 H LEU 80 H LEU 80 -6.384 -5.374 -10.352 411 HA LEU 80 HA LEU 80 -8.384 -4.201 -8.867 412 HB2 LEU 80 HB2 LEU 80 -6.058 -3.352 -9.659 413 HB3 LEU 80 HB3 LEU 80 -6.884 -2.805 -11.112 414 HG LEU 80 HG LEU 80 -8.436 -1.454 -9.526 415 HD11 LEU 80 HD11 LEU 80 -6.147 -2.077 -7.603 416 HD12 LEU 80 HD12 LEU 80 -7.814 -2.650 -7.425 417 HD13 LEU 80 HD13 LEU 80 -7.470 -0.920 -7.313 418 HD21 LEU 80 HD21 LEU 80 -6.661 -0.425 -10.858 419 HD22 LEU 80 HD22 LEU 80 -5.463 -0.802 -9.602 420 HD23 LEU 80 HD23 LEU 80 -6.773 0.351 -9.267 421 H ALA 81 H ALA 81 -10.357 -3.287 -9.138 422 HA ALA 81 HA ALA 81 -11.964 -3.867 -11.465 423 HB1 ALA 81 HB1 ALA 81 -12.440 -2.071 -9.040 424 HB2 ALA 81 HB2 ALA 81 -12.861 -3.795 -9.171 425 HB3 ALA 81 HB3 ALA 81 -13.682 -2.601 -10.189 426 H GLU 82 H GLU 82 -12.940 -2.396 -12.936 427 HA GLU 82 HA GLU 82 -11.111 -0.592 -14.093 428 HB2 GLU 82 HB2 GLU 82 -14.083 -0.974 -14.607 429 HB3 GLU 82 HB3 GLU 82 -13.000 -0.016 -15.614 430 HG2 GLU 82 HG2 GLU 82 -13.256 -2.184 -16.630 431 HG3 GLU 82 HG3 GLU 82 -11.595 -1.986 -16.068 432 H ASP 83 H ASP 83 -13.880 0.169 -11.949 433 HA ASP 83 HA ASP 83 -13.620 3.043 -12.333 434 HB2 ASP 83 HB2 ASP 83 -15.013 1.334 -10.263 435 HB3 ASP 83 HB3 ASP 83 -14.986 3.096 -10.159 436 H ARG 84 H ARG 84 -11.653 0.811 -10.722 437 HA ARG 84 HA ARG 84 -10.320 2.949 -9.107 438 HB2 ARG 84 HB2 ARG 84 -10.399 -0.078 -8.783 439 HB3 ARG 84 HB3 ARG 84 -9.302 0.992 -7.896 440 HG2 ARG 84 HG2 ARG 84 -11.242 2.313 -7.088 441 HG3 ARG 84 HG3 ARG 84 -12.343 1.195 -7.914 442 HD2 ARG 84 HD2 ARG 84 -11.697 -0.621 -6.465 443 HD3 ARG 84 HD3 ARG 84 -10.406 0.353 -5.724 444 HE ARG 84 HE ARG 84 -12.540 1.925 -5.233 445 HH11 ARG 84 HH11 ARG 84 -12.057 -1.449 -4.516 446 HH12 ARG 84 HH12 ARG 84 -13.294 -1.471 -3.287 447 HH21 ARG 84 HH21 ARG 84 -13.989 1.903 -3.531 448 HH22 ARG 84 HH22 ARG 84 -14.338 0.391 -2.729 449 H LYS 85 H LYS 85 -9.773 0.668 -11.756 450 HA LYS 85 HA LYS 85 -7.008 1.327 -12.246 451 HB2 LYS 85 HB2 LYS 85 -9.324 0.662 -14.097 452 HB3 LYS 85 HB3 LYS 85 -7.696 1.010 -14.678 453 HG2 LYS 85 HG2 LYS 85 -6.775 -0.831 -13.307 454 HG3 LYS 85 HG3 LYS 85 -8.419 -1.287 -12.820 455 HD2 LYS 85 HD2 LYS 85 -9.017 -1.821 -15.120 456 HD3 LYS 85 HD3 LYS 85 -7.509 -1.101 -15.726 457 HE2 LYS 85 HE2 LYS 85 -6.205 -2.793 -14.453 458 HE3 LYS 85 HE3 LYS 85 -7.710 -3.586 -13.965 459 HZ1 LYS 85 HZ1 LYS 85 -6.623 -4.594 -15.949 460 HZ2 LYS 85 HZ2 LYS 85 -6.862 -3.203 -16.797 461 HZ3 LYS 85 HZ3 LYS 85 -8.153 -4.069 -16.287 462 H ASN 86 H ASN 86 -9.917 3.164 -12.594 463 HA ASN 86 HA ASN 86 -8.490 5.448 -13.845 464 HB2 ASN 86 HB2 ASN 86 -11.420 4.602 -13.653 465 HB3 ASN 86 HB3 ASN 86 -10.885 6.097 -14.395 466 HD21 ASN 86 HD21 ASN 86 -11.648 2.900 -15.100 467 HD22 ASN 86 HD22 ASN 86 -10.968 2.938 -16.728 468 H VAL 87 H VAL 87 -8.861 4.817 -10.598 469 HA VAL 87 HA VAL 87 -10.341 7.291 -9.924 470 HB VAL 87 HB VAL 87 -10.629 5.144 -8.680 471 HG11 VAL 87 HG11 VAL 87 -9.141 4.517 -6.908 472 HG12 VAL 87 HG12 VAL 87 -8.026 5.847 -7.291 473 HG13 VAL 87 HG13 VAL 87 -8.250 4.512 -8.439 474 HG21 VAL 87 HG21 VAL 87 -10.890 6.209 -6.512 475 HG22 VAL 87 HG22 VAL 87 -11.366 7.333 -7.787 476 HG23 VAL 87 HG23 VAL 87 -9.798 7.529 -6.975 477 H GLU 88 H GLU 88 -9.495 9.132 -9.059 478 HA GLU 88 HA GLU 88 -6.809 9.938 -9.627 479 HB2 GLU 88 HB2 GLU 88 -8.920 11.058 -7.739 480 HB3 GLU 88 HB3 GLU 88 -7.403 11.875 -8.100 481 HG2 GLU 88 HG2 GLU 88 -8.021 11.978 -10.504 482 HG3 GLU 88 HG3 GLU 88 -9.594 11.260 -10.116 483 H LEU 89 H LEU 89 -5.145 10.606 -8.192 484 HA LEU 89 HA LEU 89 -5.001 9.121 -5.586 485 HB2 LEU 89 HB2 LEU 89 -2.856 9.723 -7.649 486 HB3 LEU 89 HB3 LEU 89 -2.466 9.272 -6.000 487 HG LEU 89 HG LEU 89 -4.064 7.535 -7.932 488 HD11 LEU 89 HD11 LEU 89 -2.045 6.125 -7.979 489 HD12 LEU 89 HD12 LEU 89 -1.187 7.302 -6.960 490 HD13 LEU 89 HD13 LEU 89 -1.723 7.743 -8.594 491 HD21 LEU 89 HD21 LEU 89 -4.631 6.989 -5.578 492 HD22 LEU 89 HD22 LEU 89 -2.900 6.957 -5.152 493 HD23 LEU 89 HD23 LEU 89 -3.588 5.733 -6.238 494 H LEU 90 H LEU 90 -4.842 10.311 -3.833 495 HA LEU 90 HA LEU 90 -4.794 13.197 -3.930 496 HB2 LEU 90 HB2 LEU 90 -4.761 11.095 -1.744 497 HB3 LEU 90 HB3 LEU 90 -4.646 12.805 -1.347 498 HG LEU 90 HG LEU 90 -6.895 11.799 -3.128 499 HD11 LEU 90 HD11 LEU 90 -6.855 11.920 -0.093 500 HD12 LEU 90 HD12 LEU 90 -7.038 10.467 -1.107 501 HD13 LEU 90 HD13 LEU 90 -8.307 11.695 -1.104 502 HD21 LEU 90 HD21 LEU 90 -6.622 14.193 -1.254 503 HD22 LEU 90 HD22 LEU 90 -8.045 13.794 -2.236 504 HD23 LEU 90 HD23 LEU 90 -6.536 14.251 -3.029 505 H GLY 91 H GLY 91 -2.252 10.826 -3.301 506 HA2 GLY 91 HA2 GLY 91 -0.171 12.932 -3.379 507 HA3 GLY 91 HA3 GLY 91 -0.394 12.057 -1.867 508 H LYS 92 H LYS 92 1.999 11.972 -2.867 509 HA LYS 92 HA LYS 92 2.653 9.678 -4.484 510 HB2 LYS 92 HB2 LYS 92 4.030 11.829 -3.782 511 HB3 LYS 92 HB3 LYS 92 4.449 10.882 -2.375 512 HG2 LYS 92 HG2 LYS 92 6.206 10.483 -3.791 513 HG3 LYS 92 HG3 LYS 92 5.190 9.091 -4.192 514 HD2 LYS 92 HD2 LYS 92 4.421 10.186 -6.235 515 HD3 LYS 92 HD3 LYS 92 5.237 11.696 -5.760 516 HE2 LYS 92 HE2 LYS 92 7.428 10.565 -5.802 517 HE3 LYS 92 HE3 LYS 92 6.658 9.049 -6.287 518 HZ1 LYS 92 HZ1 LYS 92 7.601 10.240 -8.161 519 HZ2 LYS 92 HZ2 LYS 92 6.671 11.544 -7.931 520 HZ3 LYS 92 HZ3 LYS 92 5.973 10.130 -8.363 521 H MET 93 H MET 93 3.860 7.801 -3.703 522 HA MET 93 HA MET 93 2.203 6.192 -1.988 523 HB2 MET 93 HB2 MET 93 3.210 5.467 -4.164 524 HB3 MET 93 HB3 MET 93 4.813 5.564 -3.440 525 HG2 MET 93 HG2 MET 93 3.940 3.755 -1.772 526 HG3 MET 93 HG3 MET 93 2.584 3.592 -2.871 527 HE1 MET 93 HE1 MET 93 6.390 1.309 -3.082 528 HE2 MET 93 HE2 MET 93 5.138 1.531 -1.834 529 HE3 MET 93 HE3 MET 93 6.331 2.818 -2.143 530 H TYR 94 H TYR 94 2.867 7.753 -0.026 531 HA TYR 94 HA TYR 94 5.380 7.436 1.169 532 HB2 TYR 94 HB2 TYR 94 3.712 9.152 1.789 533 HB3 TYR 94 HB3 TYR 94 2.729 7.924 2.559 534 HD1 TYR 94 HD1 TYR 94 6.350 8.957 2.566 535 HD2 TYR 94 HD2 TYR 94 2.941 7.783 4.913 536 HE1 TYR 94 HE1 TYR 94 7.661 9.329 4.644 537 HE2 TYR 94 HE2 TYR 94 4.239 8.190 7.000 538 HH TYR 94 HH TYR 94 7.604 9.445 6.910 539 H LYS 95 H LYS 95 2.531 5.304 1.656 540 HA LYS 95 HA LYS 95 4.293 3.219 2.803 541 HB2 LYS 95 HB2 LYS 95 3.305 4.935 4.589 542 HB3 LYS 95 HB3 LYS 95 1.811 4.072 4.324 543 HG2 LYS 95 HG2 LYS 95 2.833 3.180 6.275 544 HG3 LYS 95 HG3 LYS 95 2.938 1.946 5.032 545 HD2 LYS 95 HD2 LYS 95 4.997 2.135 6.407 546 HD3 LYS 95 HD3 LYS 95 5.297 2.378 4.697 547 HE2 LYS 95 HE2 LYS 95 6.614 3.927 6.020 548 HE3 LYS 95 HE3 LYS 95 5.472 4.809 5.012 549 HZ1 LYS 95 HZ1 LYS 95 5.008 4.207 7.893 550 HZ2 LYS 95 HZ2 LYS 95 4.098 5.213 6.951 551 HZ3 LYS 95 HZ3 LYS 95 5.651 5.588 7.363 552 H THR 96 H THR 96 3.383 1.108 2.732 553 HA THR 96 HA THR 96 0.525 0.778 1.949 554 HB THR 96 HB THR 96 2.761 -0.738 0.543 555 HG1 THR 96 HG1 THR 96 2.038 1.643 0.174 556 HG21 THR 96 HG21 THR 96 1.034 -1.513 -0.976 557 HG22 THR 96 HG22 THR 96 -0.202 -0.555 -0.149 558 HG23 THR 96 HG23 THR 96 0.531 -1.952 0.652 559 H TYR 97 H TYR 97 -0.386 -1.083 2.786 560 HA TYR 97 HA TYR 97 1.362 -2.940 4.358 561 HB2 TYR 97 HB2 TYR 97 -1.391 -2.030 5.309 562 HB3 TYR 97 HB3 TYR 97 -0.327 -3.169 6.033 563 HD1 TYR 97 HD1 TYR 97 1.587 -2.533 7.364 564 HD2 TYR 97 HD2 TYR 97 -0.857 0.429 5.402 565 HE1 TYR 97 HE1 TYR 97 2.468 -0.800 8.901 566 HE2 TYR 97 HE2 TYR 97 0.052 2.170 6.944 567 HH TYR 97 HH TYR 97 2.104 1.302 9.716 568 H PHE 98 H PHE 98 0.673 -5.087 4.507 569 HA PHE 98 HA PHE 98 -1.381 -6.055 2.563 570 HB2 PHE 98 HB2 PHE 98 1.504 -6.928 2.864 571 HB3 PHE 98 HB3 PHE 98 0.326 -7.698 1.825 572 HD1 PHE 98 HD1 PHE 98 2.299 -4.556 2.321 573 HD2 PHE 98 HD2 PHE 98 -0.085 -6.923 -0.371 574 HE1 PHE 98 HE1 PHE 98 3.003 -3.120 0.435 575 HE2 PHE 98 HE2 PHE 98 0.666 -5.513 -2.275 576 HZ PHE 98 HZ PHE 98 2.216 -3.621 -1.878 577 H PHE 99 H PHE 99 -2.171 -8.115 2.927 578 HA PHE 99 HA PHE 99 -1.884 -9.218 5.706 579 HB2 PHE 99 HB2 PHE 99 -4.453 -8.668 4.170 580 HB3 PHE 99 HB3 PHE 99 -4.317 -9.179 5.836 581 HD1 PHE 99 HD1 PHE 99 -3.621 -6.337 3.497 582 HD2 PHE 99 HD2 PHE 99 -4.278 -7.493 7.594 583 HE1 PHE 99 HE1 PHE 99 -3.474 -4.002 4.166 584 HE2 PHE 99 HE2 PHE 99 -4.220 -5.097 8.246 585 HZ PHE 99 HZ PHE 99 -3.696 -3.354 6.572 586 H LYS 100 H LYS 100 -1.895 -11.466 5.809 587 HA LYS 100 HA LYS 100 -1.951 -13.008 3.305 588 HB2 LYS 100 HB2 LYS 100 -1.778 -13.952 6.154 589 HB3 LYS 100 HB3 LYS 100 -1.651 -14.971 4.725 590 HG2 LYS 100 HG2 LYS 100 0.458 -14.501 4.344 591 HG3 LYS 100 HG3 LYS 100 0.285 -12.768 4.590 592 HD2 LYS 100 HD2 LYS 100 0.451 -13.091 7.037 593 HD3 LYS 100 HD3 LYS 100 0.497 -14.852 6.812 594 HE2 LYS 100 HE2 LYS 100 2.583 -14.626 5.488 595 HE3 LYS 100 HE3 LYS 100 2.565 -12.878 5.765 596 HZ1 LYS 100 HZ1 LYS 100 2.757 -14.932 7.919 597 HZ2 LYS 100 HZ2 LYS 100 2.836 -13.296 8.125 598 HZ3 LYS 100 HZ3 LYS 100 4.011 -14.098 7.321 599 H LYS 101 H LYS 101 -3.354 -15.006 3.168 600 HA LYS 101 HA LYS 101 -6.128 -14.412 3.280 601 HB2 LYS 101 HB2 LYS 101 -6.551 -16.787 2.955 602 HB3 LYS 101 HB3 LYS 101 -5.380 -16.120 1.828 603 HG2 LYS 101 HG2 LYS 101 -3.528 -17.186 3.004 604 HG3 LYS 101 HG3 LYS 101 -4.620 -17.776 4.273 605 HD2 LYS 101 HD2 LYS 101 -5.823 -19.176 2.682 606 HD3 LYS 101 HD3 LYS 101 -4.869 -18.530 1.327 607 HE2 LYS 101 HE2 LYS 101 -2.809 -19.456 2.275 608 HE3 LYS 101 HE3 LYS 101 -3.674 -20.004 3.713 609 HZ1 LYS 101 HZ1 LYS 101 -4.893 -21.564 2.386 610 HZ2 LYS 101 HZ2 LYS 101 -3.292 -21.769 2.091 611 HZ3 LYS 101 HZ3 LYS 101 -4.255 -21.008 0.975 612 H GLY 102 H GLY 102 -7.557 -14.203 4.800 613 HA2 GLY 102 HA2 GLY 102 -8.699 -14.600 6.793 614 HA3 GLY 102 HA3 GLY 102 -7.502 -15.806 7.254 615 H GLU 103 H GLU 103 -6.804 -12.333 6.516 616 HA GLU 103 HA GLU 103 -6.174 -11.916 9.425 617 HB2 GLU 103 HB2 GLU 103 -4.489 -11.064 7.045 618 HB3 GLU 103 HB3 GLU 103 -4.178 -10.671 8.741 619 HG2 GLU 103 HG2 GLU 103 -4.152 -13.185 9.181 620 HG3 GLU 103 HG3 GLU 103 -4.102 -13.419 7.435 621 H SER 104 H SER 104 -6.082 -9.772 10.202 622 HA SER 104 HA SER 104 -7.312 -7.599 8.594 623 HB2 SER 104 HB2 SER 104 -8.896 -7.038 10.363 624 HB3 SER 104 HB3 SER 104 -9.194 -8.636 9.710 625 HG SER 104 HG SER 104 -9.150 -9.185 11.748 626 H LYS 105 H LYS 105 -4.689 -8.398 10.269 627 HA LYS 105 HA LYS 105 -4.041 -5.517 10.440 628 HB2 LYS 105 HB2 LYS 105 -4.462 -6.163 12.747 629 HB3 LYS 105 HB3 LYS 105 -3.339 -7.536 12.597 630 HG2 LYS 105 HG2 LYS 105 -1.481 -6.052 12.358 631 HG3 LYS 105 HG3 LYS 105 -2.490 -4.622 12.296 632 HD2 LYS 105 HD2 LYS 105 -1.788 -4.639 14.549 633 HD3 LYS 105 HD3 LYS 105 -3.374 -5.409 14.659 634 HE2 LYS 105 HE2 LYS 105 -2.292 -7.633 14.549 635 HE3 LYS 105 HE3 LYS 105 -0.708 -6.850 14.380 636 HZ1 LYS 105 HZ1 LYS 105 -1.068 -7.489 16.683 637 HZ2 LYS 105 HZ2 LYS 105 -2.493 -6.704 16.750 638 HZ3 LYS 105 HZ3 LYS 105 -1.100 -5.843 16.600 639 H SER 106 H SER 106 -2.029 -5.114 9.555 640 HA SER 106 HA SER 106 -1.364 -6.952 7.534 641 HB2 SER 106 HB2 SER 106 0.350 -5.486 6.815 642 HB3 SER 106 HB3 SER 106 -0.972 -4.521 7.483 643 HG SER 106 HG SER 106 1.602 -5.030 8.674 644 H SER 107 H SER 107 0.563 -7.943 6.922 645 HA SER 107 HA SER 107 2.444 -8.798 9.102 646 HB2 SER 107 HB2 SER 107 0.789 -10.584 8.040 647 HB3 SER 107 HB3 SER 107 1.810 -10.444 6.612 648 HG SER 107 HG SER 107 2.504 -11.244 9.245 649 H TYR 108 H TYR 108 2.086 -7.276 6.071 650 HA TYR 108 HA TYR 108 5.003 -7.047 5.743 651 HB2 TYR 108 HB2 TYR 108 4.463 -8.984 4.407 652 HB3 TYR 108 HB3 TYR 108 3.112 -8.170 3.658 653 HD1 TYR 108 HD1 TYR 108 6.815 -8.151 3.940 654 HD2 TYR 108 HD2 TYR 108 3.416 -6.991 1.600 655 HE1 TYR 108 HE1 TYR 108 8.316 -7.702 1.985 656 HE2 TYR 108 HE2 TYR 108 4.886 -6.474 -0.315 657 HH TYR 108 HH TYR 108 7.073 -6.597 -1.175 658 H VAL 109 H VAL 109 5.604 -5.200 4.900 659 HA VAL 109 HA VAL 109 3.681 -3.216 3.848 660 HB VAL 109 HB VAL 109 3.418 -2.622 5.932 661 HG11 VAL 109 HG11 VAL 109 5.176 -2.613 7.787 662 HG12 VAL 109 HG12 VAL 109 6.093 -3.627 6.644 663 HG13 VAL 109 HG13 VAL 109 4.501 -4.143 7.225 664 HG21 VAL 109 HG21 VAL 109 5.891 -0.970 5.740 665 HG22 VAL 109 HG22 VAL 109 4.504 -0.738 6.815 666 HG23 VAL 109 HG23 VAL 109 4.298 -0.534 5.083 667 H ILE 110 H ILE 110 4.580 -1.318 3.005 668 HA ILE 110 HA ILE 110 7.430 -1.545 2.142 669 HB ILE 110 HB ILE 110 5.065 -0.962 0.378 670 HG12 ILE 110 HG12 ILE 110 6.831 -3.388 0.417 671 HG13 ILE 110 HG13 ILE 110 5.200 -3.401 0.978 672 HG21 ILE 110 HG21 ILE 110 7.988 -1.319 -0.387 673 HG22 ILE 110 HG22 ILE 110 7.175 0.260 -0.254 674 HG23 ILE 110 HG23 ILE 110 6.657 -0.884 -1.477 675 HD11 ILE 110 HD11 ILE 110 4.429 -2.943 -1.337 676 HD12 ILE 110 HD12 ILE 110 5.400 -4.439 -1.181 677 HD13 ILE 110 HD13 ILE 110 6.112 -2.973 -1.860 678 H ASN 111 H ASN 111 8.492 0.263 2.311 679 HA ASN 111 HA ASN 111 7.168 2.791 3.189 680 HB2 ASN 111 HB2 ASN 111 10.072 1.821 3.204 681 HB3 ASN 111 HB3 ASN 111 9.531 3.398 3.759 682 HD21 ASN 111 HD21 ASN 111 10.963 1.376 5.356 683 HD22 ASN 111 HD22 ASN 111 9.893 1.093 6.711 684 H GLY 112 H GLY 112 7.284 4.628 1.870 685 HA2 GLY 112 HA2 GLY 112 8.905 4.577 -0.612 686 HA3 GLY 112 HA3 GLY 112 7.165 4.518 -0.788 687 HA PRO 113 HA PRO 113 8.934 8.851 -0.619 688 HB2 PRO 113 HB2 PRO 113 8.192 9.778 -3.064 689 HB3 PRO 113 HB3 PRO 113 9.628 8.747 -2.810 690 HG2 PRO 113 HG2 PRO 113 6.851 7.839 -3.655 691 HG3 PRO 113 HG3 PRO 113 8.397 7.499 -4.466 692 HD2 PRO 113 HD2 PRO 113 7.255 5.765 -2.701 693 HD3 PRO 113 HD3 PRO 113 9.029 5.996 -2.709 694 H GLY 114 H GLY 114 7.875 10.387 0.316 695 HA2 GLY 114 HA2 GLY 114 5.633 11.807 -0.402 696 HA3 GLY 114 HA3 GLY 114 4.980 10.525 0.613 697 H LYS 115 H LYS 115 7.719 10.764 2.204 698 HA LYS 115 HA LYS 115 8.497 11.709 4.072 699 HB2 LYS 115 HB2 LYS 115 8.306 13.795 2.239 700 HB3 LYS 115 HB3 LYS 115 7.461 14.448 3.621 701 HG2 LYS 115 HG2 LYS 115 9.734 15.121 3.783 702 HG3 LYS 115 HG3 LYS 115 9.514 13.888 5.031 703 HD2 LYS 115 HD2 LYS 115 10.628 12.210 3.654 704 HD3 LYS 115 HD3 LYS 115 10.631 13.300 2.251 705 HE2 LYS 115 HE2 LYS 115 12.120 14.859 3.421 706 HE3 LYS 115 HE3 LYS 115 12.098 13.834 4.864 707 HZ1 LYS 115 HZ1 LYS 115 13.060 12.914 2.215 708 HZ2 LYS 115 HZ2 LYS 115 14.072 13.464 3.384 709 HZ3 LYS 115 HZ3 LYS 115 13.182 12.106 3.648 710 H THR 116 H THR 116 5.051 12.209 3.675 711 HA THR 116 HA THR 116 4.477 11.440 6.358 712 HB THR 116 HB THR 116 5.151 13.685 7.017 713 HG1 THR 116 HG1 THR 116 3.369 14.211 8.048 714 HG21 THR 116 HG21 THR 116 3.162 14.737 4.963 715 HG22 THR 116 HG22 THR 116 4.929 14.921 4.898 716 HG23 THR 116 HG23 THR 116 4.016 15.702 6.191 717 H ASN 117 H ASN 117 2.080 11.382 6.692 718 HA ASN 117 HA ASN 117 0.579 11.224 4.149 719 HB2 ASN 117 HB2 ASN 117 -0.118 10.565 7.048 720 HB3 ASN 117 HB3 ASN 117 -1.198 10.364 5.670 721 HD21 ASN 117 HD21 ASN 117 -0.154 9.136 3.778 722 HD22 ASN 117 HD22 ASN 117 0.819 7.732 4.205 723 H GLU 118 H GLU 118 1.157 13.476 6.734 724 HA GLU 118 HA GLU 118 -1.484 14.699 6.701 725 HB2 GLU 118 HB2 GLU 118 1.079 15.158 8.258 726 HB3 GLU 118 HB3 GLU 118 -0.400 16.060 8.569 727 HG2 GLU 118 HG2 GLU 118 -1.616 14.150 9.259 728 HG3 GLU 118 HG3 GLU 118 -0.457 13.023 8.577 729 H TYR 119 H TYR 119 -0.268 15.049 4.235 730 HA TYR 119 HA TYR 119 0.421 16.338 2.592 731 HB2 TYR 119 HB2 TYR 119 -0.088 18.546 2.245 732 HB3 TYR 119 HB3 TYR 119 -1.438 17.782 3.041 733 HD1 TYR 119 HD1 TYR 119 1.633 19.819 4.077 734 HD2 TYR 119 HD2 TYR 119 -2.632 19.235 4.355 735 HE1 TYR 119 HE1 TYR 119 1.462 21.785 5.549 736 HE2 TYR 119 HE2 TYR 119 -2.798 21.220 5.844 737 HH TYR 119 HH TYR 119 0.089 23.019 6.936 738 H ALA 120 H ALA 120 2.223 17.195 1.708 739 HA ALA 120 HA ALA 120 4.515 17.303 3.614 740 HB1 ALA 120 HB1 ALA 120 4.050 15.091 2.603 741 HB2 ALA 120 HB2 ALA 120 5.621 15.763 2.132 742 HB3 ALA 120 HB3 ALA 120 4.251 15.798 0.994 743 H TYR 121 H TYR 121 3.872 19.672 3.165 744 HA TYR 121 HA TYR 121 6.213 20.751 1.863 745 HB2 TYR 121 HB2 TYR 121 4.641 20.962 -0.016 746 HB3 TYR 121 HB3 TYR 121 3.424 21.667 1.041 747 HD1 TYR 121 HD1 TYR 121 7.081 22.318 0.308 748 HD2 TYR 121 HD2 TYR 121 3.107 23.953 0.653 749 HE1 TYR 121 HE1 TYR 121 7.962 24.589 -0.211 750 HE2 TYR 121 HE2 TYR 121 4.008 26.222 0.134 751 HH TYR 121 HH TYR 121 5.851 27.480 -0.387 752 H1 ACE 6 H1 ACE 6 22.626 -1.869 -2.109 753 H2 ACE 6 H2 ACE 6 21.672 -0.418 -1.730 754 H3 ACE 6 H3 ACE 6 23.451 -0.336 -1.758 755 H THR 7 H THR 7 21.002 -1.703 -3.922 756 HA THR 7 HA THR 7 21.875 0.017 -6.175 757 HB THR 7 HB THR 7 23.239 -2.124 -6.016 758 HG1 THR 7 HG1 THR 7 22.915 -2.633 -8.242 759 HG21 THR 7 HG21 THR 7 20.724 -3.494 -7.049 760 HG22 THR 7 HG22 THR 7 22.295 -4.221 -6.645 761 HG23 THR 7 HG23 THR 7 21.269 -3.598 -5.360 762 H THR 8 H THR 8 19.362 -1.196 -4.531 763 HA THR 8 HA THR 8 17.430 -0.447 -6.628 764 HB THR 8 HB THR 8 18.074 -3.048 -6.500 765 HG1 THR 8 HG1 THR 8 16.228 -3.414 -7.589 766 HG21 THR 8 HG21 THR 8 17.220 -3.367 -4.180 767 HG22 THR 8 HG22 THR 8 15.592 -2.948 -4.770 768 HG23 THR 8 HG23 THR 8 16.427 -4.382 -5.398 769 HA PRO 9 HA PRO 9 14.917 1.432 -3.467 770 HB2 PRO 9 HB2 PRO 9 12.818 -0.511 -4.467 771 HB3 PRO 9 HB3 PRO 9 12.583 1.202 -3.994 772 HG2 PRO 9 HG2 PRO 9 12.840 0.554 -6.591 773 HG3 PRO 9 HG3 PRO 9 13.779 1.942 -5.960 774 HD2 PRO 9 HD2 PRO 9 14.682 -0.855 -6.529 775 HD3 PRO 9 HD3 PRO 9 15.560 0.679 -6.787 776 H ASP 10 H ASP 10 13.570 1.097 -1.549 777 HA ASP 10 HA ASP 10 13.931 -1.414 -0.037 778 HB2 ASP 10 HB2 ASP 10 12.414 1.161 0.541 779 HB3 ASP 10 HB3 ASP 10 12.415 -0.247 1.605 780 HN2 TYS 11 HN2 TYS 11 12.846 -3.099 -0.962 781 HA TYS 11 HA TYS 11 10.567 -2.636 -2.685 782 HB2 TYS 11 HB2 TYS 11 12.500 -4.849 -2.136 783 HB3 TYS 11 HB3 TYS 11 10.860 -5.447 -2.283 784 HD1 TYS 11 HD1 TYS 11 9.569 -5.209 -4.251 785 HD2 TYS 11 HD2 TYS 11 13.376 -3.241 -3.893 786 HE1 TYS 11 HE1 TYS 11 9.270 -4.301 -6.403 787 HE2 TYS 11 HE2 TYS 11 13.052 -2.267 -6.101 788 H GLY 12 H GLY 12 10.944 -4.079 0.296 789 HA2 GLY 12 HA2 GLY 12 8.634 -3.457 1.491 790 HA3 GLY 12 HA3 GLY 12 8.204 -4.925 0.607 791 H HIS 13 H HIS 13 8.069 -4.675 3.484 792 HA HIS 13 HA HIS 13 10.029 -6.734 4.310 793 HB2 HIS 13 HB2 HIS 13 10.573 -5.461 6.331 794 HB3 HIS 13 HB3 HIS 13 11.186 -4.672 4.879 795 HD1 HIS 13 HD1 HIS 13 9.888 -2.449 4.048 796 HD2 HIS 13 HD2 HIS 13 8.433 -4.148 7.630 797 HE1 HIS 13 HE1 HIS 13 7.998 -0.896 4.972 798 HE2 HIS 13 HE2 HIS 13 7.502 -1.743 7.350 799 HN2 TYS 14 HN2 TYS 14 9.442 -7.907 6.086 800 HA TYS 14 HA TYS 14 6.573 -7.775 6.784 801 HB2 TYS 14 HB2 TYS 14 8.748 -9.806 7.370 802 HB3 TYS 14 HB3 TYS 14 7.139 -9.912 8.013 803 HD1 TYS 14 HD1 TYS 14 8.849 -9.612 4.585 804 HD2 TYS 14 HD2 TYS 14 5.389 -10.965 6.817 805 HE1 TYS 14 HE1 TYS 14 8.348 -11.159 2.869 806 HE2 TYS 14 HE2 TYS 14 4.864 -12.501 5.003 807 H ASP 15 H ASP 15 5.690 -7.101 8.557 808 HA ASP 15 HA ASP 15 7.511 -5.928 10.631 809 HB2 ASP 15 HB2 ASP 15 6.472 -3.993 10.553 810 HB3 ASP 15 HB3 ASP 15 5.992 -4.475 8.959 811 H ASP 16 H ASP 16 6.693 -5.648 12.745 812 HA ASP 16 HA ASP 16 4.190 -6.998 13.487 813 HB2 ASP 16 HB2 ASP 16 6.741 -7.484 15.060 814 HB3 ASP 16 HB3 ASP 16 5.168 -8.237 15.307 815 H LYS 17 H LYS 17 5.085 -4.174 13.244 816 HA LYS 17 HA LYS 17 4.746 -3.113 15.994 817 HB2 LYS 17 HB2 LYS 17 6.965 -1.970 15.966 818 HB3 LYS 17 HB3 LYS 17 7.046 -3.716 16.167 819 HG2 LYS 17 HG2 LYS 17 8.026 -4.080 14.097 820 HG3 LYS 17 HG3 LYS 17 7.299 -2.654 13.358 821 HD2 LYS 17 HD2 LYS 17 9.747 -2.425 13.623 822 HD3 LYS 17 HD3 LYS 17 8.812 -1.169 14.412 823 HE2 LYS 17 HE2 LYS 17 10.603 -1.725 15.873 824 HE3 LYS 17 HE3 LYS 17 9.122 -2.326 16.620 825 HZ1 LYS 17 HZ1 LYS 17 11.026 -3.990 15.059 826 HZ2 LYS 17 HZ2 LYS 17 9.735 -4.571 15.913 827 HZ3 LYS 17 HZ3 LYS 17 11.003 -3.882 16.692 828 H ASP 18 H ASP 18 4.631 -2.518 12.633 829 HA ASP 18 HA ASP 18 4.046 0.410 13.099 830 HB2 ASP 18 HB2 ASP 18 5.087 -1.004 10.615 831 HB3 ASP 18 HB3 ASP 18 4.673 0.706 10.714 832 H THR 19 H THR 19 2.830 -2.605 12.147 833 HA THR 19 HA THR 19 1.251 -2.433 10.085 834 HB THR 19 HB THR 19 1.448 -4.478 11.264 835 HG1 THR 19 HG1 THR 19 -0.097 -4.431 10.023 836 HG21 THR 19 HG21 THR 19 -0.216 -3.389 13.505 837 HG22 THR 19 HG22 THR 19 1.523 -3.775 13.574 838 HG23 THR 19 HG23 THR 19 0.378 -5.068 13.266 839 H LEU 20 H LEU 20 -0.736 -2.061 9.382 840 HA LEU 20 HA LEU 20 -2.519 -0.205 10.838 841 HB2 LEU 20 HB2 LEU 20 -1.944 0.434 8.517 842 HB3 LEU 20 HB3 LEU 20 -2.376 -1.198 7.967 843 HG LEU 20 HG LEU 20 -4.711 -0.770 8.709 844 HD11 LEU 20 HD11 LEU 20 -4.390 1.043 10.328 845 HD12 LEU 20 HD12 LEU 20 -5.443 1.575 9.017 846 HD13 LEU 20 HD13 LEU 20 -3.744 2.104 9.055 847 HD21 LEU 20 HD21 LEU 20 -3.854 -0.500 6.442 848 HD22 LEU 20 HD22 LEU 20 -3.592 1.234 6.706 849 HD23 LEU 20 HD23 LEU 20 -5.241 0.540 6.740 850 H ASP 21 H ASP 21 -3.973 -1.183 11.985 851 HA ASP 21 HA ASP 21 -5.082 -3.842 11.428 852 HB2 ASP 21 HB2 ASP 21 -6.538 -3.315 13.370 853 HB3 ASP 21 HB3 ASP 21 -4.813 -3.334 13.716 854 H LEU 22 H LEU 22 -6.746 -4.215 10.333 855 HA LEU 22 HA LEU 22 -8.581 -2.159 9.200 856 HB2 LEU 22 HB2 LEU 22 -7.318 -4.731 8.301 857 HB3 LEU 22 HB3 LEU 22 -8.968 -4.487 7.767 858 HG LEU 22 HG LEU 22 -8.381 -2.397 6.662 859 HD11 LEU 22 HD11 LEU 22 -6.631 -1.525 8.016 860 HD12 LEU 22 HD12 LEU 22 -5.927 -1.856 6.430 861 HD13 LEU 22 HD13 LEU 22 -5.618 -2.972 7.789 862 HD21 LEU 22 HD21 LEU 22 -6.496 -4.713 6.067 863 HD22 LEU 22 HD22 LEU 22 -6.834 -3.364 4.955 864 HD23 LEU 22 HD23 LEU 22 -8.135 -4.475 5.412 865 H ASN 23 H ASN 23 -8.960 -3.181 11.971 866 HA ASN 23 HA ASN 23 -11.671 -4.305 11.718 867 HB2 ASN 23 HB2 ASN 23 -11.242 -5.933 13.463 868 HB3 ASN 23 HB3 ASN 23 -10.196 -6.251 12.084 869 HD21 ASN 23 HD21 ASN 23 -7.881 -5.945 12.346 870 HD22 ASN 23 HD22 ASN 23 -7.225 -5.692 13.956 871 H THR 24 H THR 24 -12.960 -3.827 13.335 872 HA THR 24 HA THR 24 -12.546 -2.228 15.644 873 HB THR 24 HB THR 24 -11.688 -0.499 14.324 874 HG1 THR 24 HG1 THR 24 -12.841 1.003 15.055 875 HG21 THR 24 HG21 THR 24 -12.769 0.556 12.432 876 HG22 THR 24 HG22 THR 24 -12.483 -1.149 12.071 877 HG23 THR 24 HG23 THR 24 -14.119 -0.592 12.507 878 HA PRO 25 HA PRO 25 -16.963 -1.520 14.473 879 HB2 PRO 25 HB2 PRO 25 -18.419 -2.991 12.702 880 HB3 PRO 25 HB3 PRO 25 -17.278 -1.700 12.218 881 HG2 PRO 25 HG2 PRO 25 -16.810 -4.686 12.303 882 HG3 PRO 25 HG3 PRO 25 -16.377 -3.530 10.999 883 HD2 PRO 25 HD2 PRO 25 -14.612 -4.386 12.883 884 HD3 PRO 25 HD3 PRO 25 -14.521 -2.764 12.129 885 H VAL 26 H VAL 26 -18.928 -1.933 15.393 886 HA VAL 26 HA VAL 26 -19.834 -4.560 16.240 887 HB VAL 26 HB VAL 26 -18.093 -4.097 17.951 888 HG11 VAL 26 HG11 VAL 26 -18.332 -2.356 19.616 889 HG12 VAL 26 HG12 VAL 26 -19.771 -1.710 18.811 890 HG13 VAL 26 HG13 VAL 26 -18.183 -1.625 18.012 891 HG21 VAL 26 HG21 VAL 26 -20.899 -3.983 19.103 892 HG22 VAL 26 HG22 VAL 26 -19.427 -4.522 19.929 893 HG23 VAL 26 HG23 VAL 26 -20.042 -5.445 18.555 894 H ASP 27 H ASP 27 -21.937 -4.642 16.592 895 HA ASP 27 HA ASP 27 -23.548 -2.222 17.062 896 HB2 ASP 27 HB2 ASP 27 -23.552 -3.826 14.493 897 HB3 ASP 27 HB3 ASP 27 -25.069 -3.192 15.097 898 H LYS 28 H LYS 28 -25.760 -2.759 17.456 899 HA LYS 28 HA LYS 28 -26.377 -5.499 18.423 900 HB2 LYS 28 HB2 LYS 28 -25.215 -4.278 20.298 901 HB3 LYS 28 HB3 LYS 28 -26.523 -3.091 20.284 902 HG2 LYS 28 HG2 LYS 28 -28.143 -5.018 20.683 903 HG3 LYS 28 HG3 LYS 28 -26.735 -6.085 20.833 904 HD2 LYS 28 HD2 LYS 28 -25.922 -4.609 22.721 905 HD3 LYS 28 HD3 LYS 28 -27.432 -3.702 22.612 906 HE2 LYS 28 HE2 LYS 28 -27.134 -6.673 23.258 907 HE3 LYS 28 HE3 LYS 28 -27.485 -5.381 24.412 908 HZ1 LYS 28 HZ1 LYS 28 -29.523 -6.442 23.844 909 HZ2 LYS 28 HZ2 LYS 28 -29.565 -4.976 23.127 910 HZ3 LYS 28 HZ3 LYS 28 -29.258 -6.328 22.224 911 HN1 NH2 29 HN1 NH2 29 -27.696 -5.313 16.500 912 HN2 NH2 29 HN2 NH2 29 -29.234 -4.482 16.617 Start of MODEL 17 1 H1 ASN 31 H1 ASN 31 0.142 18.819 -23.073 2 H2 ASN 31 H2 ASN 31 -0.274 20.316 -22.553 3 H3 ASN 31 H3 ASN 31 1.320 19.890 -22.662 4 HA ASN 31 HA ASN 31 1.028 18.188 -20.978 5 HB2 ASN 31 HB2 ASN 31 0.307 21.048 -20.195 6 HB3 ASN 31 HB3 ASN 31 0.658 19.778 -19.032 7 HD21 ASN 31 HD21 ASN 31 2.527 21.087 -18.273 8 HD22 ASN 31 HD22 ASN 31 3.962 21.177 -19.243 9 H SER 32 H SER 32 -0.367 16.734 -20.175 10 HA SER 32 HA SER 32 -3.297 17.400 -20.121 11 HB2 SER 32 HB2 SER 32 -2.405 16.136 -22.168 12 HB3 SER 32 HB3 SER 32 -2.149 14.769 -21.077 13 HG SER 32 HG SER 32 -4.175 14.389 -21.579 14 H GLY 33 H GLY 33 -0.723 16.017 -18.193 15 HA2 GLY 33 HA2 GLY 33 -2.139 15.732 -15.897 16 HA3 GLY 33 HA3 GLY 33 -2.551 14.235 -16.715 17 H LEU 34 H LEU 34 -1.766 13.086 -15.090 18 HA LEU 34 HA LEU 34 1.000 12.159 -15.301 19 HB2 LEU 34 HB2 LEU 34 -0.309 13.132 -12.714 20 HB3 LEU 34 HB3 LEU 34 0.985 11.959 -12.691 21 HG LEU 34 HG LEU 34 1.226 14.800 -13.735 22 HD11 LEU 34 HD11 LEU 34 2.644 15.138 -11.769 23 HD12 LEU 34 HD12 LEU 34 2.371 13.457 -11.255 24 HD13 LEU 34 HD13 LEU 34 1.023 14.615 -11.289 25 HD21 LEU 34 HD21 LEU 34 2.803 13.328 -14.952 26 HD22 LEU 34 HD22 LEU 34 3.345 12.614 -13.415 27 HD23 LEU 34 HD23 LEU 34 3.676 14.317 -13.787 28 HA PRO 35 HA PRO 35 -1.336 8.300 -14.404 29 HB2 PRO 35 HB2 PRO 35 0.380 6.924 -12.710 30 HB3 PRO 35 HB3 PRO 35 0.510 6.952 -14.475 31 HG2 PRO 35 HG2 PRO 35 1.993 8.641 -12.461 32 HG3 PRO 35 HG3 PRO 35 2.644 7.822 -13.916 33 HD2 PRO 35 HD2 PRO 35 2.069 10.494 -13.903 34 HD3 PRO 35 HD3 PRO 35 1.777 9.500 -15.344 35 H THR 36 H THR 36 0.340 8.565 -11.252 36 HA THR 36 HA THR 36 -0.569 8.457 -9.194 37 HB THR 36 HB THR 36 -0.083 10.818 -9.607 38 HG1 THR 36 HG1 THR 36 -1.540 11.455 -7.760 39 HG21 THR 36 HG21 THR 36 -1.791 12.507 -9.665 40 HG22 THR 36 HG22 THR 36 -3.077 11.285 -9.741 41 HG23 THR 36 HG23 THR 36 -1.940 11.491 -11.092 42 H THR 37 H THR 37 -1.943 6.813 -10.832 43 HA THR 37 HA THR 37 -4.750 6.904 -9.847 44 HB THR 37 HB THR 37 -5.051 5.135 -11.702 45 HG1 THR 37 HG1 THR 37 -3.580 5.428 -13.443 46 HG21 THR 37 HG21 THR 37 -5.340 6.827 -13.469 47 HG22 THR 37 HG22 THR 37 -4.498 8.008 -12.463 48 HG23 THR 37 HG23 THR 37 -6.028 7.324 -11.907 49 H LEU 38 H LEU 38 -5.634 5.154 -8.883 50 HA LEU 38 HA LEU 38 -4.067 3.275 -7.528 51 HB2 LEU 38 HB2 LEU 38 -6.769 3.894 -7.705 52 HB3 LEU 38 HB3 LEU 38 -6.727 2.222 -8.262 53 HG LEU 38 HG LEU 38 -5.749 3.363 -5.634 54 HD11 LEU 38 HD11 LEU 38 -8.003 1.420 -6.286 55 HD12 LEU 38 HD12 LEU 38 -8.184 3.125 -5.817 56 HD13 LEU 38 HD13 LEU 38 -7.537 1.956 -4.659 57 HD21 LEU 38 HD21 LEU 38 -5.634 0.469 -6.607 58 HD22 LEU 38 HD22 LEU 38 -5.362 0.985 -4.924 59 HD23 LEU 38 HD23 LEU 38 -4.246 1.491 -6.191 60 H GLY 39 H GLY 39 -5.414 2.897 -10.853 61 HA2 GLY 39 HA2 GLY 39 -4.677 0.225 -11.341 62 HA3 GLY 39 HA3 GLY 39 -4.690 1.504 -12.559 63 H LYS 40 H LYS 40 -2.593 3.115 -12.024 64 HA LYS 40 HA LYS 40 -0.352 1.487 -12.898 65 HB2 LYS 40 HB2 LYS 40 -0.643 4.424 -12.125 66 HB3 LYS 40 HB3 LYS 40 0.878 3.737 -12.695 67 HG2 LYS 40 HG2 LYS 40 -1.707 3.595 -14.312 68 HG3 LYS 40 HG3 LYS 40 -0.536 4.899 -14.460 69 HD2 LYS 40 HD2 LYS 40 1.229 3.280 -15.110 70 HD3 LYS 40 HD3 LYS 40 0.071 1.950 -14.944 71 HE2 LYS 40 HE2 LYS 40 -1.376 3.041 -16.674 72 HE3 LYS 40 HE3 LYS 40 -0.110 4.250 -16.933 73 HZ1 LYS 40 HZ1 LYS 40 1.385 2.444 -17.588 74 HZ2 LYS 40 HZ2 LYS 40 0.255 1.318 -17.236 75 HZ3 LYS 40 HZ3 LYS 40 0.002 2.344 -18.490 76 H LEU 41 H LEU 41 -1.077 3.147 -9.843 77 HA LEU 41 HA LEU 41 1.184 2.217 -8.396 78 HB2 LEU 41 HB2 LEU 41 -0.659 3.889 -7.696 79 HB3 LEU 41 HB3 LEU 41 -1.614 2.476 -7.247 80 HG LEU 41 HG LEU 41 0.582 1.801 -5.880 81 HD11 LEU 41 HD11 LEU 41 0.862 4.819 -6.151 82 HD12 LEU 41 HD12 LEU 41 2.021 3.599 -6.732 83 HD13 LEU 41 HD13 LEU 41 1.737 3.805 -5.000 84 HD21 LEU 41 HD21 LEU 41 -0.217 2.953 -3.912 85 HD22 LEU 41 HD22 LEU 41 -1.576 2.317 -4.863 86 HD23 LEU 41 HD23 LEU 41 -1.200 4.058 -4.912 87 H ASP 42 H ASP 42 -2.009 0.537 -8.827 88 HA ASP 42 HA ASP 42 -1.437 -1.721 -7.228 89 HB2 ASP 42 HB2 ASP 42 -3.690 -1.336 -7.885 90 HB3 ASP 42 HB3 ASP 42 -3.278 -1.297 -9.599 91 H GLU 43 H GLU 43 -0.719 -1.210 -10.706 92 HA GLU 43 HA GLU 43 0.250 -3.860 -11.222 93 HB2 GLU 43 HB2 GLU 43 -0.210 -2.080 -12.959 94 HB3 GLU 43 HB3 GLU 43 1.255 -1.249 -12.432 95 HG2 GLU 43 HG2 GLU 43 2.523 -3.435 -12.955 96 HG3 GLU 43 HG3 GLU 43 1.045 -4.003 -13.722 97 H ARG 44 H ARG 44 1.893 -0.964 -9.929 98 HA ARG 44 HA ARG 44 4.487 -2.232 -9.550 99 HB2 ARG 44 HB2 ARG 44 3.198 0.373 -8.956 100 HB3 ARG 44 HB3 ARG 44 4.262 -0.170 -7.656 101 HG2 ARG 44 HG2 ARG 44 6.116 -0.428 -9.138 102 HG3 ARG 44 HG3 ARG 44 5.134 -0.140 -10.575 103 HD2 ARG 44 HD2 ARG 44 5.451 1.954 -8.410 104 HD3 ARG 44 HD3 ARG 44 6.650 1.754 -9.680 105 HE ARG 44 HE ARG 44 4.935 2.232 -11.367 106 HH11 ARG 44 HH11 ARG 44 4.360 3.610 -8.131 107 HH12 ARG 44 HH12 ARG 44 3.258 4.789 -8.822 108 HH21 ARG 44 HH21 ARG 44 3.574 3.919 -12.059 109 HH22 ARG 44 HH22 ARG 44 2.870 4.946 -10.830 110 H LEU 45 H LEU 45 1.788 -1.620 -7.242 111 HA LEU 45 HA LEU 45 3.140 -2.883 -5.042 112 HB2 LEU 45 HB2 LEU 45 0.223 -2.230 -5.509 113 HB3 LEU 45 HB3 LEU 45 0.873 -2.844 -3.988 114 HG LEU 45 HG LEU 45 1.708 -0.218 -5.295 115 HD11 LEU 45 HD11 LEU 45 0.513 0.762 -3.369 116 HD12 LEU 45 HD12 LEU 45 -0.017 -0.861 -2.876 117 HD13 LEU 45 HD13 LEU 45 -0.572 -0.175 -4.419 118 HD21 LEU 45 HD21 LEU 45 2.755 0.225 -3.049 119 HD22 LEU 45 HD22 LEU 45 3.585 -0.994 -4.002 120 HD23 LEU 45 HD23 LEU 45 2.534 -1.489 -2.657 121 H ARG 46 H ARG 46 0.759 -4.403 -7.306 122 HA ARG 46 HA ARG 46 0.984 -6.884 -5.803 123 HB2 ARG 46 HB2 ARG 46 -0.465 -7.819 -7.233 124 HB3 ARG 46 HB3 ARG 46 -1.029 -6.171 -7.099 125 HG2 ARG 46 HG2 ARG 46 -0.203 -5.699 -9.392 126 HG3 ARG 46 HG3 ARG 46 0.526 -7.307 -9.473 127 HD2 ARG 46 HD2 ARG 46 -1.617 -7.319 -10.645 128 HD3 ARG 46 HD3 ARG 46 -1.658 -8.368 -9.240 129 HE ARG 46 HE ARG 46 -2.742 -5.582 -8.995 130 HH11 ARG 46 HH11 ARG 46 -3.630 -9.023 -9.297 131 HH12 ARG 46 HH12 ARG 46 -5.249 -8.641 -8.745 132 HH21 ARG 46 HH21 ARG 46 -4.700 -5.352 -8.159 133 HH22 ARG 46 HH22 ARG 46 -5.871 -6.695 -8.202 134 H ASN 47 H ASN 47 2.915 -5.430 -8.282 135 HA ASN 47 HA ASN 47 4.569 -7.831 -8.673 136 HB2 ASN 47 HB2 ASN 47 4.818 -4.927 -9.463 137 HB3 ASN 47 HB3 ASN 47 6.235 -5.944 -9.421 138 HD21 ASN 47 HD21 ASN 47 3.803 -4.924 -11.436 139 HD22 ASN 47 HD22 ASN 47 4.041 -6.169 -12.668 140 H TYR 48 H TYR 48 4.727 -4.996 -6.401 141 HA TYR 48 HA TYR 48 7.235 -5.516 -5.425 142 HB2 TYR 48 HB2 TYR 48 4.844 -4.258 -4.180 143 HB3 TYR 48 HB3 TYR 48 6.150 -4.664 -3.183 144 HD1 TYR 48 HD1 TYR 48 8.296 -3.541 -3.364 145 HD2 TYR 48 HD2 TYR 48 4.926 -2.249 -5.621 146 HE1 TYR 48 HE1 TYR 48 9.372 -1.267 -3.695 147 HE2 TYR 48 HE2 TYR 48 5.868 0.030 -5.805 148 HH TYR 48 HH TYR 48 9.106 0.745 -4.598 149 H LEU 49 H LEU 49 4.293 -7.150 -4.174 150 HA LEU 49 HA LEU 49 5.776 -8.651 -2.227 151 HB2 LEU 49 HB2 LEU 49 3.219 -9.376 -3.713 152 HB3 LEU 49 HB3 LEU 49 3.884 -10.325 -2.381 153 HG LEU 49 HG LEU 49 3.077 -7.427 -2.127 154 HD11 LEU 49 HD11 LEU 49 1.620 -10.027 -1.489 155 HD12 LEU 49 HD12 LEU 49 1.113 -8.755 -2.624 156 HD13 LEU 49 HD13 LEU 49 1.105 -8.451 -0.875 157 HD21 LEU 49 HD21 LEU 49 3.115 -7.806 0.278 158 HD22 LEU 49 HD22 LEU 49 4.704 -8.157 -0.399 159 HD23 LEU 49 HD23 LEU 49 3.605 -9.491 0.037 160 H LYS 50 H LYS 50 5.125 -9.488 -5.663 161 HA LYS 50 HA LYS 50 6.382 -12.105 -5.449 162 HB2 LYS 50 HB2 LYS 50 6.061 -10.387 -7.936 163 HB3 LYS 50 HB3 LYS 50 6.352 -12.132 -7.820 164 HG2 LYS 50 HG2 LYS 50 4.154 -12.523 -6.876 165 HG3 LYS 50 HG3 LYS 50 3.803 -10.794 -6.818 166 HD2 LYS 50 HD2 LYS 50 4.345 -12.339 -9.391 167 HD3 LYS 50 HD3 LYS 50 2.737 -11.980 -8.743 168 HE2 LYS 50 HE2 LYS 50 3.258 -9.544 -8.826 169 HE3 LYS 50 HE3 LYS 50 4.824 -9.902 -9.570 170 HZ1 LYS 50 HZ1 LYS 50 2.221 -10.682 -10.754 171 HZ2 LYS 50 HZ2 LYS 50 3.677 -10.842 -11.452 172 HZ3 LYS 50 HZ3 LYS 50 3.045 -9.334 -11.189 173 H LYS 51 H LYS 51 7.527 -8.954 -6.573 174 HA LYS 51 HA LYS 51 10.290 -9.586 -7.073 175 HB2 LYS 51 HB2 LYS 51 8.760 -7.073 -6.476 176 HB3 LYS 51 HB3 LYS 51 10.519 -7.075 -6.705 177 HG2 LYS 51 HG2 LYS 51 10.267 -7.949 -8.959 178 HG3 LYS 51 HG3 LYS 51 8.492 -8.003 -8.772 179 HD2 LYS 51 HD2 LYS 51 8.391 -5.625 -8.489 180 HD3 LYS 51 HD3 LYS 51 10.151 -5.467 -8.453 181 HE2 LYS 51 HE2 LYS 51 8.571 -6.454 -10.861 182 HE3 LYS 51 HE3 LYS 51 8.958 -4.755 -10.550 183 HZ1 LYS 51 HZ1 LYS 51 10.589 -5.625 -11.999 184 HZ2 LYS 51 HZ2 LYS 51 11.342 -5.397 -10.547 185 HZ3 LYS 51 HZ3 LYS 51 10.914 -6.914 -11.051 186 H GLY 52 H GLY 52 8.604 -9.190 -4.046 187 HA2 GLY 52 HA2 GLY 52 11.096 -8.362 -2.653 188 HA3 GLY 52 HA3 GLY 52 9.439 -7.964 -2.267 189 H THR 53 H THR 53 8.242 -10.579 -2.169 190 HA THR 53 HA THR 53 9.238 -11.459 0.466 191 HB THR 53 HB THR 53 7.128 -12.535 0.678 192 HG1 THR 53 HG1 THR 53 6.488 -11.655 -1.981 193 HG21 THR 53 HG21 THR 53 5.455 -10.754 0.390 194 HG22 THR 53 HG22 THR 53 6.690 -9.754 -0.417 195 HG23 THR 53 HG23 THR 53 6.904 -10.291 1.265 196 H LYS 54 H LYS 54 9.222 -13.849 0.942 197 HA LYS 54 HA LYS 54 10.619 -15.321 -1.114 198 HB2 LYS 54 HB2 LYS 54 9.495 -16.253 1.554 199 HB3 LYS 54 HB3 LYS 54 10.607 -17.163 0.527 200 HG2 LYS 54 HG2 LYS 54 12.348 -15.480 0.767 201 HG3 LYS 54 HG3 LYS 54 11.269 -14.415 1.685 202 HD2 LYS 54 HD2 LYS 54 11.071 -16.100 3.468 203 HD3 LYS 54 HD3 LYS 54 12.170 -17.179 2.568 204 HE2 LYS 54 HE2 LYS 54 13.969 -15.528 2.700 205 HE3 LYS 54 HE3 LYS 54 12.879 -14.346 3.449 206 HZ1 LYS 54 HZ1 LYS 54 13.463 -16.960 4.713 207 HZ2 LYS 54 HZ2 LYS 54 12.735 -15.660 5.391 208 HZ3 LYS 54 HZ3 LYS 54 14.328 -15.589 5.047 209 H ASN 55 H ASN 55 7.287 -15.378 0.072 210 HA ASN 55 HA ASN 55 6.370 -16.656 -2.358 211 HB2 ASN 55 HB2 ASN 55 4.925 -18.186 -0.802 212 HB3 ASN 55 HB3 ASN 55 6.583 -18.691 -1.162 213 HD21 ASN 55 HD21 ASN 55 4.204 -18.245 1.117 214 HD22 ASN 55 HD22 ASN 55 5.198 -18.503 2.532 215 H SER 56 H SER 56 5.485 -14.764 -2.866 216 HA SER 56 HA SER 56 3.742 -13.078 -1.551 217 HB2 SER 56 HB2 SER 56 4.759 -12.679 -3.710 218 HB3 SER 56 HB3 SER 56 3.804 -13.962 -4.458 219 HG SER 56 HG SER 56 2.015 -12.739 -4.350 220 H ALA 57 H ALA 57 2.812 -16.289 -2.824 221 HA ALA 57 HA ALA 57 0.135 -15.766 -3.354 222 HB1 ALA 57 HB1 ALA 57 -0.119 -18.229 -3.290 223 HB2 ALA 57 HB2 ALA 57 1.443 -18.365 -2.449 224 HB3 ALA 57 HB3 ALA 57 1.358 -17.735 -4.118 225 H GLN 58 H GLN 58 1.397 -16.024 -0.169 226 HA GLN 58 HA GLN 58 -0.968 -17.014 1.197 227 HB2 GLN 58 HB2 GLN 58 0.280 -16.385 3.217 228 HB3 GLN 58 HB3 GLN 58 1.287 -17.303 2.096 229 HG2 GLN 58 HG2 GLN 58 2.282 -15.115 1.288 230 HG3 GLN 58 HG3 GLN 58 1.378 -14.271 2.492 231 HE21 GLN 58 HE21 GLN 58 4.433 -15.496 1.900 232 HE22 GLN 58 HE22 GLN 58 4.891 -15.765 3.560 233 H PHE 59 H PHE 59 0.009 -13.881 0.010 234 HA PHE 59 HA PHE 59 -1.513 -12.294 1.910 235 HB2 PHE 59 HB2 PHE 59 -0.074 -11.651 -0.658 236 HB3 PHE 59 HB3 PHE 59 -0.943 -10.459 0.296 237 HD1 PHE 59 HD1 PHE 59 -0.220 -9.861 2.590 238 HD2 PHE 59 HD2 PHE 59 2.126 -12.521 0.164 239 HE1 PHE 59 HE1 PHE 59 1.695 -9.594 4.146 240 HE2 PHE 59 HE2 PHE 59 4.018 -12.303 1.736 241 HZ PHE 59 HZ PHE 59 3.811 -10.847 3.729 242 H GLU 60 H GLU 60 -3.432 -11.071 1.506 243 HA GLU 60 HA GLU 60 -5.087 -12.050 -0.805 244 HB2 GLU 60 HB2 GLU 60 -6.982 -12.364 0.424 245 HB3 GLU 60 HB3 GLU 60 -5.715 -13.211 1.319 246 HG2 GLU 60 HG2 GLU 60 -5.573 -11.324 2.891 247 HG3 GLU 60 HG3 GLU 60 -6.827 -10.445 2.014 248 H LYS 61 H LYS 61 -4.352 -9.364 1.353 249 HA LYS 61 HA LYS 61 -5.338 -7.565 -0.746 250 HB2 LYS 61 HB2 LYS 61 -6.815 -6.283 0.588 251 HB3 LYS 61 HB3 LYS 61 -7.317 -7.953 0.717 252 HG2 LYS 61 HG2 LYS 61 -6.467 -8.107 3.001 253 HG3 LYS 61 HG3 LYS 61 -5.682 -6.527 2.867 254 HD2 LYS 61 HD2 LYS 61 -7.696 -5.356 2.802 255 HD3 LYS 61 HD3 LYS 61 -8.647 -6.757 2.351 256 HE2 LYS 61 HE2 LYS 61 -7.275 -6.444 5.051 257 HE3 LYS 61 HE3 LYS 61 -8.924 -5.905 4.714 258 HZ1 LYS 61 HZ1 LYS 61 -7.961 -8.695 4.665 259 HZ2 LYS 61 HZ2 LYS 61 -9.467 -8.251 4.143 260 HZ3 LYS 61 HZ3 LYS 61 -9.016 -8.041 5.707 261 H MET 62 H MET 62 -5.042 -5.338 -0.206 262 HA MET 62 HA MET 62 -2.646 -4.692 1.423 263 HB2 MET 62 HB2 MET 62 -1.571 -3.516 -0.365 264 HB3 MET 62 HB3 MET 62 -1.899 -5.169 -0.889 265 HG2 MET 62 HG2 MET 62 -3.790 -4.431 -2.239 266 HG3 MET 62 HG3 MET 62 -3.575 -2.763 -1.680 267 HE1 MET 62 HE1 MET 62 -3.572 -1.962 -4.217 268 HE2 MET 62 HE2 MET 62 -3.681 -3.633 -4.841 269 HE3 MET 62 HE3 MET 62 -2.420 -2.545 -5.437 270 H VAL 63 H VAL 63 -2.367 -2.419 1.840 271 HA VAL 63 HA VAL 63 -4.595 -0.597 1.246 272 HB VAL 63 HB VAL 63 -5.163 -1.725 3.395 273 HG11 VAL 63 HG11 VAL 63 -3.885 -1.701 5.243 274 HG12 VAL 63 HG12 VAL 63 -2.900 -0.294 4.734 275 HG13 VAL 63 HG13 VAL 63 -2.651 -1.877 4.005 276 HG21 VAL 63 HG21 VAL 63 -5.657 0.233 4.733 277 HG22 VAL 63 HG22 VAL 63 -5.956 0.613 3.034 278 HG23 VAL 63 HG23 VAL 63 -4.491 1.215 3.830 279 H ILE 64 H ILE 64 -4.003 1.555 1.260 280 HA ILE 64 HA ILE 64 -1.055 2.143 1.307 281 HB ILE 64 HB ILE 64 -3.186 3.040 -0.663 282 HG12 ILE 64 HG12 ILE 64 -0.981 1.313 -1.688 283 HG13 ILE 64 HG13 ILE 64 -2.183 0.463 -0.747 284 HG21 ILE 64 HG21 ILE 64 -0.155 3.373 -0.750 285 HG22 ILE 64 HG22 ILE 64 -1.341 4.660 -0.445 286 HG23 ILE 64 HG23 ILE 64 -1.288 3.876 -2.021 287 HD11 ILE 64 HD11 ILE 64 -3.992 1.178 -2.143 288 HD12 ILE 64 HD12 ILE 64 -2.712 0.504 -3.169 289 HD13 ILE 64 HD13 ILE 64 -2.933 2.268 -3.058 290 H LEU 65 H LEU 65 -0.525 3.999 2.359 291 HA LEU 65 HA LEU 65 -2.666 6.014 2.951 292 HB2 LEU 65 HB2 LEU 65 -0.173 5.575 4.626 293 HB3 LEU 65 HB3 LEU 65 -1.530 6.635 4.955 294 HG LEU 65 HG LEU 65 -1.664 3.596 4.950 295 HD11 LEU 65 HD11 LEU 65 -1.840 3.794 7.372 296 HD12 LEU 65 HD12 LEU 65 -1.818 5.571 7.266 297 HD13 LEU 65 HD13 LEU 65 -0.370 4.641 6.851 298 HD21 LEU 65 HD21 LEU 65 -3.758 5.619 5.791 299 HD22 LEU 65 HD22 LEU 65 -3.847 3.849 5.979 300 HD23 LEU 65 HD23 LEU 65 -3.844 4.564 4.362 301 H THR 66 H THR 66 -2.418 7.751 1.764 302 HA THR 66 HA THR 66 0.270 8.375 0.603 303 HB THR 66 HB THR 66 -0.863 9.623 -1.107 304 HG1 THR 66 HG1 THR 66 -2.648 10.389 -0.068 305 HG21 THR 66 HG21 THR 66 -0.587 7.184 -1.472 306 HG22 THR 66 HG22 THR 66 -1.975 7.874 -2.336 307 HG23 THR 66 HG23 THR 66 -2.244 6.931 -0.856 308 H GLU 67 H GLU 67 0.660 10.785 0.209 309 HA GLU 67 HA GLU 67 0.089 12.421 2.472 310 HB2 GLU 67 HB2 GLU 67 0.518 13.531 -0.308 311 HB3 GLU 67 HB3 GLU 67 0.846 14.291 1.247 312 HG2 GLU 67 HG2 GLU 67 2.539 12.294 1.583 313 HG3 GLU 67 HG3 GLU 67 2.383 12.085 -0.153 314 H ASN 68 H ASN 68 -1.307 14.401 2.455 315 HA ASN 68 HA ASN 68 -3.326 15.426 2.406 316 HB2 ASN 68 HB2 ASN 68 -3.552 14.339 -0.399 317 HB3 ASN 68 HB3 ASN 68 -4.285 15.803 0.215 318 HD21 ASN 68 HD21 ASN 68 -1.930 14.873 -1.774 319 HD22 ASN 68 HD22 ASN 68 -0.650 16.043 -1.361 320 H LYS 69 H LYS 69 -3.438 13.030 3.732 321 HA LYS 69 HA LYS 69 -4.881 11.714 4.806 322 HB2 LYS 69 HB2 LYS 69 -7.136 13.467 3.779 323 HB3 LYS 69 HB3 LYS 69 -7.020 12.628 5.324 324 HG2 LYS 69 HG2 LYS 69 -5.174 14.188 6.000 325 HG3 LYS 69 HG3 LYS 69 -5.361 15.046 4.460 326 HD2 LYS 69 HD2 LYS 69 -7.750 15.484 5.042 327 HD3 LYS 69 HD3 LYS 69 -7.439 14.777 6.652 328 HE2 LYS 69 HE2 LYS 69 -5.553 16.438 6.912 329 HE3 LYS 69 HE3 LYS 69 -6.035 17.156 5.372 330 HZ1 LYS 69 HZ1 LYS 69 -7.092 18.441 7.042 331 HZ2 LYS 69 HZ2 LYS 69 -7.594 17.116 7.900 332 HZ3 LYS 69 HZ3 LYS 69 -8.301 17.502 6.481 333 H GLY 70 H GLY 70 -4.387 11.023 2.004 334 HA2 GLY 70 HA2 GLY 70 -6.727 9.490 1.165 335 HA3 GLY 70 HA3 GLY 70 -5.120 9.397 0.460 336 H TYR 71 H TYR 71 -7.220 7.504 1.457 337 HA TYR 71 HA TYR 71 -5.418 5.445 2.592 338 HB2 TYR 71 HB2 TYR 71 -6.608 6.397 4.513 339 HB3 TYR 71 HB3 TYR 71 -8.145 6.212 3.697 340 HD1 TYR 71 HD1 TYR 71 -8.860 3.727 3.061 341 HD2 TYR 71 HD2 TYR 71 -5.969 4.739 6.126 342 HE1 TYR 71 HE1 TYR 71 -9.306 1.582 4.225 343 HE2 TYR 71 HE2 TYR 71 -6.493 2.656 7.297 344 HH TYR 71 HH TYR 71 -7.785 0.794 7.381 345 H TYR 72 H TYR 72 -5.568 3.727 1.201 346 HA TYR 72 HA TYR 72 -8.109 3.230 -0.327 347 HB2 TYR 72 HB2 TYR 72 -5.305 3.309 -1.514 348 HB3 TYR 72 HB3 TYR 72 -6.786 2.920 -2.367 349 HD1 TYR 72 HD1 TYR 72 -8.386 4.668 -3.011 350 HD2 TYR 72 HD2 TYR 72 -4.721 5.624 -0.939 351 HE1 TYR 72 HE1 TYR 72 -8.677 7.058 -3.608 352 HE2 TYR 72 HE2 TYR 72 -5.017 8.029 -1.535 353 HH TYR 72 HH TYR 72 -7.849 9.166 -3.407 354 H THR 73 H THR 73 -8.486 1.003 -0.808 355 HA THR 73 HA THR 73 -6.359 -0.917 -0.085 356 HB THR 73 HB THR 73 -7.486 -0.626 2.024 357 HG1 THR 73 HG1 THR 73 -6.789 -2.706 1.311 358 HG21 THR 73 HG21 THR 73 -10.056 -1.470 0.631 359 HG22 THR 73 HG22 THR 73 -9.724 0.109 1.370 360 HG23 THR 73 HG23 THR 73 -9.817 -1.339 2.385 361 H VAL 74 H VAL 74 -6.486 -2.943 -1.000 362 HA VAL 74 HA VAL 74 -8.615 -3.484 -3.005 363 HB VAL 74 HB VAL 74 -5.649 -3.354 -3.679 364 HG11 VAL 74 HG11 VAL 74 -6.743 -5.111 -4.975 365 HG12 VAL 74 HG12 VAL 74 -6.393 -3.748 -6.022 366 HG13 VAL 74 HG13 VAL 74 -8.054 -3.998 -5.439 367 HG21 VAL 74 HG21 VAL 74 -7.911 -1.529 -4.587 368 HG22 VAL 74 HG22 VAL 74 -6.274 -1.553 -5.279 369 HG23 VAL 74 HG23 VAL 74 -6.502 -1.071 -3.602 370 H TYR 75 H TYR 75 -9.081 -5.656 -3.095 371 HA TYR 75 HA TYR 75 -7.351 -7.600 -1.685 372 HB2 TYR 75 HB2 TYR 75 -10.052 -7.743 -2.986 373 HB3 TYR 75 HB3 TYR 75 -9.100 -9.204 -2.766 374 HD1 TYR 75 HD1 TYR 75 -10.711 -6.392 -0.902 375 HD2 TYR 75 HD2 TYR 75 -8.827 -10.263 -0.646 376 HE1 TYR 75 HE1 TYR 75 -11.519 -6.624 1.427 377 HE2 TYR 75 HE2 TYR 75 -9.603 -10.473 1.710 378 HH TYR 75 HH TYR 75 -11.635 -8.011 3.296 379 H LEU 76 H LEU 76 -5.887 -8.812 -2.589 380 HA LEU 76 HA LEU 76 -4.933 -8.148 -5.274 381 HB2 LEU 76 HB2 LEU 76 -3.933 -9.899 -2.991 382 HB3 LEU 76 HB3 LEU 76 -3.038 -9.707 -4.492 383 HG LEU 76 HG LEU 76 -3.805 -7.326 -2.742 384 HD11 LEU 76 HD11 LEU 76 -1.463 -7.422 -1.950 385 HD12 LEU 76 HD12 LEU 76 -1.257 -8.982 -2.777 386 HD13 LEU 76 HD13 LEU 76 -2.407 -8.829 -1.430 387 HD21 LEU 76 HD21 LEU 76 -3.226 -6.733 -5.072 388 HD22 LEU 76 HD22 LEU 76 -1.742 -7.706 -4.963 389 HD23 LEU 76 HD23 LEU 76 -1.934 -6.243 -3.978 390 H ASN 77 H ASN 77 -7.027 -10.577 -4.176 391 HA ASN 77 HA ASN 77 -6.124 -12.852 -5.625 392 HB2 ASN 77 HB2 ASN 77 -8.973 -12.148 -4.835 393 HB3 ASN 77 HB3 ASN 77 -8.346 -13.763 -5.126 394 HD21 ASN 77 HD21 ASN 77 -9.617 -12.375 -2.755 395 HD22 ASN 77 HD22 ASN 77 -8.577 -12.892 -1.438 396 H THR 78 H THR 78 -7.416 -10.023 -6.988 397 HA THR 78 HA THR 78 -8.267 -11.355 -9.499 398 HB THR 78 HB THR 78 -10.236 -9.897 -9.635 399 HG1 THR 78 HG1 THR 78 -10.858 -8.659 -7.938 400 HG21 THR 78 HG21 THR 78 -10.304 -11.382 -6.965 401 HG22 THR 78 HG22 THR 78 -10.493 -12.155 -8.547 402 HG23 THR 78 HG23 THR 78 -11.679 -10.954 -8.003 403 HA PRO 79 HA PRO 79 -6.274 -7.591 -11.268 404 HB2 PRO 79 HB2 PRO 79 -8.198 -8.158 -13.504 405 HB3 PRO 79 HB3 PRO 79 -6.438 -7.852 -13.590 406 HG2 PRO 79 HG2 PRO 79 -7.411 -10.353 -13.934 407 HG3 PRO 79 HG3 PRO 79 -5.954 -10.094 -12.908 408 HD2 PRO 79 HD2 PRO 79 -8.830 -10.389 -11.995 409 HD3 PRO 79 HD3 PRO 79 -7.362 -11.247 -11.421 410 H LEU 80 H LEU 80 -6.992 -5.410 -11.053 411 HA LEU 80 HA LEU 80 -9.646 -5.063 -9.953 412 HB2 LEU 80 HB2 LEU 80 -9.005 -2.984 -9.251 413 HB3 LEU 80 HB3 LEU 80 -7.530 -3.924 -9.148 414 HG LEU 80 HG LEU 80 -8.239 -1.864 -11.295 415 HD11 LEU 80 HD11 LEU 80 -7.700 -0.983 -9.017 416 HD12 LEU 80 HD12 LEU 80 -6.524 -0.506 -10.246 417 HD13 LEU 80 HD13 LEU 80 -6.132 -1.805 -9.098 418 HD21 LEU 80 HD21 LEU 80 -5.678 -3.482 -10.920 419 HD22 LEU 80 HD22 LEU 80 -5.852 -2.082 -11.992 420 HD23 LEU 80 HD23 LEU 80 -6.778 -3.543 -12.322 421 H ALA 81 H ALA 81 -11.189 -3.428 -10.542 422 HA ALA 81 HA ALA 81 -11.993 -3.738 -13.287 423 HB1 ALA 81 HB1 ALA 81 -13.242 -2.143 -11.009 424 HB2 ALA 81 HB2 ALA 81 -13.468 -3.888 -11.275 425 HB3 ALA 81 HB3 ALA 81 -14.058 -2.744 -12.469 426 H GLU 82 H GLU 82 -12.538 -2.085 -14.821 427 HA GLU 82 HA GLU 82 -10.445 -0.264 -15.183 428 HB2 GLU 82 HB2 GLU 82 -11.372 0.333 -17.233 429 HB3 GLU 82 HB3 GLU 82 -11.716 -1.373 -16.975 430 HG2 GLU 82 HG2 GLU 82 -14.062 -0.763 -16.329 431 HG3 GLU 82 HG3 GLU 82 -13.688 0.935 -16.633 432 H ASP 83 H ASP 83 -13.393 0.518 -13.445 433 HA ASP 83 HA ASP 83 -13.082 3.420 -13.640 434 HB2 ASP 83 HB2 ASP 83 -14.370 1.531 -11.651 435 HB3 ASP 83 HB3 ASP 83 -14.208 3.245 -11.289 436 H ARG 84 H ARG 84 -11.804 0.905 -11.446 437 HA ARG 84 HA ARG 84 -10.332 2.792 -9.761 438 HB2 ARG 84 HB2 ARG 84 -10.253 -0.255 -9.957 439 HB3 ARG 84 HB3 ARG 84 -9.345 0.720 -8.797 440 HG2 ARG 84 HG2 ARG 84 -11.518 1.711 -7.986 441 HG3 ARG 84 HG3 ARG 84 -12.370 0.549 -9.020 442 HD2 ARG 84 HD2 ARG 84 -11.223 -1.317 -7.786 443 HD3 ARG 84 HD3 ARG 84 -10.434 -0.123 -6.756 444 HE ARG 84 HE ARG 84 -12.446 0.338 -5.659 445 HH11 ARG 84 HH11 ARG 84 -13.162 -2.033 -8.177 446 HH12 ARG 84 HH12 ARG 84 -14.881 -1.908 -7.896 447 HH21 ARG 84 HH21 ARG 84 -14.534 0.312 -5.255 448 HH22 ARG 84 HH22 ARG 84 -15.650 -0.649 -6.212 449 H LYS 85 H LYS 85 -9.629 1.113 -12.728 450 HA LYS 85 HA LYS 85 -6.759 1.411 -12.665 451 HB2 LYS 85 HB2 LYS 85 -8.670 1.388 -15.025 452 HB3 LYS 85 HB3 LYS 85 -6.905 1.368 -15.147 453 HG2 LYS 85 HG2 LYS 85 -6.880 -0.738 -13.742 454 HG3 LYS 85 HG3 LYS 85 -8.644 -0.769 -13.844 455 HD2 LYS 85 HD2 LYS 85 -8.393 -0.730 -16.381 456 HD3 LYS 85 HD3 LYS 85 -6.648 -0.945 -16.133 457 HE2 LYS 85 HE2 LYS 85 -7.153 -3.047 -14.827 458 HE3 LYS 85 HE3 LYS 85 -8.870 -2.829 -15.203 459 HZ1 LYS 85 HZ1 LYS 85 -8.017 -4.291 -16.818 460 HZ2 LYS 85 HZ2 LYS 85 -6.668 -3.385 -17.101 461 HZ3 LYS 85 HZ3 LYS 85 -8.134 -2.857 -17.613 462 H ASN 86 H ASN 86 -9.295 3.725 -12.975 463 HA ASN 86 HA ASN 86 -7.363 5.891 -13.667 464 HB2 ASN 86 HB2 ASN 86 -10.210 5.346 -14.593 465 HB3 ASN 86 HB3 ASN 86 -9.368 6.869 -14.861 466 HD21 ASN 86 HD21 ASN 86 -7.246 6.796 -16.009 467 HD22 ASN 86 HD22 ASN 86 -7.102 5.553 -17.268 468 H VAL 87 H VAL 87 -8.697 4.923 -10.891 469 HA VAL 87 HA VAL 87 -9.997 7.474 -10.179 470 HB VAL 87 HB VAL 87 -10.842 5.247 -9.405 471 HG11 VAL 87 HG11 VAL 87 -8.691 4.227 -8.741 472 HG12 VAL 87 HG12 VAL 87 -9.904 4.197 -7.448 473 HG13 VAL 87 HG13 VAL 87 -8.575 5.375 -7.390 474 HG21 VAL 87 HG21 VAL 87 -11.501 6.083 -7.218 475 HG22 VAL 87 HG22 VAL 87 -11.524 7.398 -8.393 476 HG23 VAL 87 HG23 VAL 87 -10.179 7.273 -7.233 477 H GLU 88 H GLU 88 -9.039 9.121 -9.079 478 HA GLU 88 HA GLU 88 -6.154 9.221 -9.207 479 HB2 GLU 88 HB2 GLU 88 -7.505 11.053 -9.979 480 HB3 GLU 88 HB3 GLU 88 -8.366 11.158 -8.437 481 HG2 GLU 88 HG2 GLU 88 -6.370 11.865 -7.300 482 HG3 GLU 88 HG3 GLU 88 -5.382 11.675 -8.764 483 H LEU 89 H LEU 89 -4.692 9.190 -7.671 484 HA LEU 89 HA LEU 89 -5.303 8.622 -4.852 485 HB2 LEU 89 HB2 LEU 89 -2.720 9.087 -6.395 486 HB3 LEU 89 HB3 LEU 89 -2.791 8.593 -4.713 487 HG LEU 89 HG LEU 89 -3.920 6.917 -6.998 488 HD11 LEU 89 HD11 LEU 89 -1.480 7.204 -7.226 489 HD12 LEU 89 HD12 LEU 89 -1.920 5.554 -6.782 490 HD13 LEU 89 HD13 LEU 89 -1.254 6.658 -5.552 491 HD21 LEU 89 HD21 LEU 89 -3.233 6.246 -4.096 492 HD22 LEU 89 HD22 LEU 89 -3.798 5.092 -5.322 493 HD23 LEU 89 HD23 LEU 89 -4.877 6.378 -4.767 494 H LEU 90 H LEU 90 -5.428 10.138 -3.304 495 HA LEU 90 HA LEU 90 -5.349 12.925 -3.707 496 HB2 LEU 90 HB2 LEU 90 -5.264 11.104 -1.295 497 HB3 LEU 90 HB3 LEU 90 -5.151 12.841 -1.072 498 HG LEU 90 HG LEU 90 -7.418 11.673 -2.719 499 HD11 LEU 90 HD11 LEU 90 -7.314 12.058 0.300 500 HD12 LEU 90 HD12 LEU 90 -7.530 10.529 -0.592 501 HD13 LEU 90 HD13 LEU 90 -8.785 11.758 -0.647 502 HD21 LEU 90 HD21 LEU 90 -7.041 14.118 -2.851 503 HD22 LEU 90 HD22 LEU 90 -7.131 14.226 -1.081 504 HD23 LEU 90 HD23 LEU 90 -8.555 13.737 -2.027 505 H GLY 91 H GLY 91 -2.628 10.843 -2.987 506 HA2 GLY 91 HA2 GLY 91 -0.747 13.036 -3.396 507 HA3 GLY 91 HA3 GLY 91 -0.807 12.460 -1.734 508 H LYS 92 H LYS 92 1.502 12.200 -2.481 509 HA LYS 92 HA LYS 92 2.323 10.010 -4.112 510 HB2 LYS 92 HB2 LYS 92 3.508 12.259 -3.040 511 HB3 LYS 92 HB3 LYS 92 4.125 11.046 -1.959 512 HG2 LYS 92 HG2 LYS 92 5.730 11.235 -3.684 513 HG3 LYS 92 HG3 LYS 92 4.845 9.767 -4.119 514 HD2 LYS 92 HD2 LYS 92 3.444 11.180 -5.711 515 HD3 LYS 92 HD3 LYS 92 4.417 12.569 -5.240 516 HE2 LYS 92 HE2 LYS 92 5.500 12.006 -7.160 517 HE3 LYS 92 HE3 LYS 92 6.464 11.104 -5.993 518 HZ1 LYS 92 HZ1 LYS 92 4.267 10.022 -7.680 519 HZ2 LYS 92 HZ2 LYS 92 5.098 9.123 -6.590 520 HZ3 LYS 92 HZ3 LYS 92 5.863 9.752 -7.908 521 H MET 93 H MET 93 3.472 8.106 -3.507 522 HA MET 93 HA MET 93 1.986 6.459 -1.688 523 HB2 MET 93 HB2 MET 93 2.934 5.848 -3.963 524 HB3 MET 93 HB3 MET 93 4.530 5.770 -3.220 525 HG2 MET 93 HG2 MET 93 3.464 4.048 -1.563 526 HG3 MET 93 HG3 MET 93 2.094 4.046 -2.654 527 HE1 MET 93 HE1 MET 93 6.141 3.801 -2.992 528 HE2 MET 93 HE2 MET 93 6.219 2.056 -3.326 529 HE3 MET 93 HE3 MET 93 5.551 2.633 -1.786 530 H TYR 94 H TYR 94 2.807 8.081 0.157 531 HA TYR 94 HA TYR 94 5.270 7.844 1.410 532 HB2 TYR 94 HB2 TYR 94 3.812 9.457 2.225 533 HB3 TYR 94 HB3 TYR 94 2.471 8.366 2.346 534 HD1 TYR 94 HD1 TYR 94 5.655 9.384 3.986 535 HD2 TYR 94 HD2 TYR 94 2.012 7.119 4.355 536 HE1 TYR 94 HE1 TYR 94 6.048 9.178 6.418 537 HE2 TYR 94 HE2 TYR 94 2.399 6.926 6.808 538 HH TYR 94 HH TYR 94 5.293 8.313 8.396 539 H LYS 95 H LYS 95 2.480 5.583 2.107 540 HA LYS 95 HA LYS 95 4.447 3.458 2.697 541 HB2 LYS 95 HB2 LYS 95 4.275 4.901 4.742 542 HB3 LYS 95 HB3 LYS 95 2.578 4.467 4.892 543 HG2 LYS 95 HG2 LYS 95 3.075 2.286 5.573 544 HG3 LYS 95 HG3 LYS 95 4.646 2.264 4.782 545 HD2 LYS 95 HD2 LYS 95 4.624 2.352 7.358 546 HD3 LYS 95 HD3 LYS 95 5.722 3.410 6.490 547 HE2 LYS 95 HE2 LYS 95 4.045 5.283 6.743 548 HE3 LYS 95 HE3 LYS 95 3.107 4.225 7.796 549 HZ1 LYS 95 HZ1 LYS 95 5.146 4.098 9.217 550 HZ2 LYS 95 HZ2 LYS 95 4.461 5.576 9.127 551 HZ3 LYS 95 HZ3 LYS 95 5.834 5.286 8.275 552 H THR 96 H THR 96 3.641 1.382 2.641 553 HA THR 96 HA THR 96 0.703 0.965 2.202 554 HB THR 96 HB THR 96 2.892 -0.407 0.593 555 HG1 THR 96 HG1 THR 96 2.586 1.752 0.117 556 HG21 THR 96 HG21 THR 96 1.108 -1.170 -0.874 557 HG22 THR 96 HG22 THR 96 -0.116 -0.357 0.102 558 HG23 THR 96 HG23 THR 96 0.762 -1.762 0.743 559 H TYR 97 H TYR 97 -0.055 -1.019 2.772 560 HA TYR 97 HA TYR 97 1.625 -2.818 4.459 561 HB2 TYR 97 HB2 TYR 97 -1.159 -2.150 5.470 562 HB3 TYR 97 HB3 TYR 97 0.174 -2.846 6.224 563 HD1 TYR 97 HD1 TYR 97 -0.687 0.482 4.668 564 HD2 TYR 97 HD2 TYR 97 1.372 -1.703 7.759 565 HE1 TYR 97 HE1 TYR 97 0.045 2.610 5.719 566 HE2 TYR 97 HE2 TYR 97 1.963 0.411 8.861 567 HH TYR 97 HH TYR 97 1.943 2.678 8.746 568 H PHE 98 H PHE 98 0.867 -4.946 4.694 569 HA PHE 98 HA PHE 98 -1.206 -5.909 2.746 570 HB2 PHE 98 HB2 PHE 98 1.698 -6.703 2.906 571 HB3 PHE 98 HB3 PHE 98 0.511 -7.550 1.950 572 HD1 PHE 98 HD1 PHE 98 2.508 -4.397 2.180 573 HD2 PHE 98 HD2 PHE 98 -0.208 -6.758 -0.173 574 HE1 PHE 98 HE1 PHE 98 3.089 -3.061 0.161 575 HE2 PHE 98 HE2 PHE 98 0.441 -5.478 -2.209 576 HZ PHE 98 HZ PHE 98 2.107 -3.655 -2.041 577 H PHE 99 H PHE 99 -2.057 -7.951 3.139 578 HA PHE 99 HA PHE 99 -1.626 -9.060 5.902 579 HB2 PHE 99 HB2 PHE 99 -4.268 -8.560 4.477 580 HB3 PHE 99 HB3 PHE 99 -4.033 -9.044 6.150 581 HD1 PHE 99 HD1 PHE 99 -3.492 -6.237 3.728 582 HD2 PHE 99 HD2 PHE 99 -3.948 -7.341 7.865 583 HE1 PHE 99 HE1 PHE 99 -3.299 -3.889 4.363 584 HE2 PHE 99 HE2 PHE 99 -3.846 -4.942 8.493 585 HZ PHE 99 HZ PHE 99 -3.389 -3.225 6.778 586 H LYS 100 H LYS 100 -1.811 -11.316 6.141 587 HA LYS 100 HA LYS 100 -2.038 -12.932 3.676 588 HB2 LYS 100 HB2 LYS 100 -1.678 -13.895 6.522 589 HB3 LYS 100 HB3 LYS 100 -1.714 -14.881 5.072 590 HG2 LYS 100 HG2 LYS 100 0.497 -14.745 5.653 591 HG3 LYS 100 HG3 LYS 100 0.258 -13.786 4.195 592 HD2 LYS 100 HD2 LYS 100 0.560 -11.726 5.377 593 HD3 LYS 100 HD3 LYS 100 0.520 -12.539 6.945 594 HE2 LYS 100 HE2 LYS 100 2.600 -13.254 4.861 595 HE3 LYS 100 HE3 LYS 100 2.819 -11.858 5.928 596 HZ1 LYS 100 HZ1 LYS 100 2.355 -14.603 6.950 597 HZ2 LYS 100 HZ2 LYS 100 2.655 -13.277 7.834 598 HZ3 LYS 100 HZ3 LYS 100 3.826 -13.909 6.833 599 H LYS 101 H LYS 101 -3.447 -14.780 3.556 600 HA LYS 101 HA LYS 101 -6.184 -14.236 3.601 601 HB2 LYS 101 HB2 LYS 101 -4.888 -16.180 2.525 602 HB3 LYS 101 HB3 LYS 101 -5.039 -16.994 4.070 603 HG2 LYS 101 HG2 LYS 101 -6.803 -17.862 2.852 604 HG3 LYS 101 HG3 LYS 101 -7.612 -16.631 3.831 605 HD2 LYS 101 HD2 LYS 101 -7.577 -15.078 1.902 606 HD3 LYS 101 HD3 LYS 101 -6.599 -16.237 0.987 607 HE2 LYS 101 HE2 LYS 101 -8.501 -17.887 1.163 608 HE3 LYS 101 HE3 LYS 101 -9.492 -16.593 1.867 609 HZ1 LYS 101 HZ1 LYS 101 -9.733 -16.778 -0.601 610 HZ2 LYS 101 HZ2 LYS 101 -8.127 -16.450 -0.771 611 HZ3 LYS 101 HZ3 LYS 101 -9.132 -15.308 -0.149 612 H GLY 102 H GLY 102 -7.402 -13.560 5.233 613 HA2 GLY 102 HA2 GLY 102 -8.831 -13.977 7.034 614 HA3 GLY 102 HA3 GLY 102 -7.794 -15.281 7.608 615 H GLU 103 H GLU 103 -5.885 -12.493 6.978 616 HA GLU 103 HA GLU 103 -5.697 -11.893 9.881 617 HB2 GLU 103 HB2 GLU 103 -4.025 -11.020 7.500 618 HB3 GLU 103 HB3 GLU 103 -3.725 -10.550 9.171 619 HG2 GLU 103 HG2 GLU 103 -3.550 -12.973 9.799 620 HG3 GLU 103 HG3 GLU 103 -3.669 -13.398 8.087 621 H SER 104 H SER 104 -5.477 -9.686 10.615 622 HA SER 104 HA SER 104 -7.079 -7.615 9.175 623 HB2 SER 104 HB2 SER 104 -8.084 -7.114 11.459 624 HB3 SER 104 HB3 SER 104 -8.675 -8.520 10.582 625 HG SER 104 HG SER 104 -8.209 -9.605 12.294 626 H LYS 105 H LYS 105 -4.232 -8.312 10.795 627 HA LYS 105 HA LYS 105 -3.505 -5.416 10.700 628 HB2 LYS 105 HB2 LYS 105 -3.689 -6.081 13.029 629 HB3 LYS 105 HB3 LYS 105 -2.707 -7.520 12.726 630 HG2 LYS 105 HG2 LYS 105 -0.777 -6.256 12.342 631 HG3 LYS 105 HG3 LYS 105 -1.557 -4.703 12.430 632 HD2 LYS 105 HD2 LYS 105 -1.706 -6.730 14.711 633 HD3 LYS 105 HD3 LYS 105 -0.364 -5.605 14.592 634 HE2 LYS 105 HE2 LYS 105 -1.920 -3.694 14.682 635 HE3 LYS 105 HE3 LYS 105 -3.289 -4.822 14.805 636 HZ1 LYS 105 HZ1 LYS 105 -2.375 -5.662 16.862 637 HZ2 LYS 105 HZ2 LYS 105 -2.628 -4.029 16.980 638 HZ3 LYS 105 HZ3 LYS 105 -1.101 -4.644 16.789 639 H SER 106 H SER 106 -1.579 -5.015 9.665 640 HA SER 106 HA SER 106 -0.977 -6.891 7.578 641 HB2 SER 106 HB2 SER 106 -0.805 -4.769 6.858 642 HB3 SER 106 HB3 SER 106 -0.120 -4.139 8.345 643 HG SER 106 HG SER 106 1.909 -4.995 7.752 644 H SER 107 H SER 107 0.985 -7.755 6.942 645 HA SER 107 HA SER 107 3.062 -8.287 9.033 646 HB2 SER 107 HB2 SER 107 1.746 -10.306 8.751 647 HB3 SER 107 HB3 SER 107 1.882 -10.198 6.992 648 HG SER 107 HG SER 107 4.054 -10.506 8.800 649 H TYR 108 H TYR 108 2.452 -7.122 5.823 650 HA TYR 108 HA TYR 108 5.392 -6.876 5.441 651 HB2 TYR 108 HB2 TYR 108 4.446 -8.718 3.981 652 HB3 TYR 108 HB3 TYR 108 3.587 -7.494 3.090 653 HD1 TYR 108 HD1 TYR 108 6.802 -8.857 3.998 654 HD2 TYR 108 HD2 TYR 108 4.838 -6.042 1.436 655 HE1 TYR 108 HE1 TYR 108 8.837 -8.793 2.524 656 HE2 TYR 108 HE2 TYR 108 6.876 -6.011 -0.057 657 HH TYR 108 HH TYR 108 9.032 -6.836 -0.415 658 H VAL 109 H VAL 109 6.050 -4.978 4.785 659 HA VAL 109 HA VAL 109 4.110 -2.846 4.073 660 HB VAL 109 HB VAL 109 5.525 -1.380 5.731 661 HG11 VAL 109 HG11 VAL 109 3.460 -3.330 6.758 662 HG12 VAL 109 HG12 VAL 109 3.177 -1.731 6.021 663 HG13 VAL 109 HG13 VAL 109 4.020 -1.847 7.586 664 HG21 VAL 109 HG21 VAL 109 5.689 -4.012 7.235 665 HG22 VAL 109 HG22 VAL 109 6.438 -2.437 7.629 666 HG23 VAL 109 HG23 VAL 109 7.003 -3.415 6.243 667 H ILE 110 H ILE 110 4.985 -1.038 3.122 668 HA ILE 110 HA ILE 110 7.787 -1.245 2.100 669 HB ILE 110 HB ILE 110 5.359 -0.892 0.352 670 HG12 ILE 110 HG12 ILE 110 6.738 -3.465 1.085 671 HG13 ILE 110 HG13 ILE 110 5.045 -3.087 1.129 672 HG21 ILE 110 HG21 ILE 110 8.241 -1.618 -0.400 673 HG22 ILE 110 HG22 ILE 110 7.537 0.008 -0.522 674 HG23 ILE 110 HG23 ILE 110 6.916 -1.298 -1.520 675 HD11 ILE 110 HD11 ILE 110 5.321 -4.582 -0.642 676 HD12 ILE 110 HD12 ILE 110 6.751 -3.734 -1.256 677 HD13 ILE 110 HD13 ILE 110 5.124 -3.000 -1.427 678 H ASN 111 H ASN 111 8.742 0.649 2.133 679 HA ASN 111 HA ASN 111 7.172 3.087 2.812 680 HB2 ASN 111 HB2 ASN 111 10.176 2.559 2.979 681 HB3 ASN 111 HB3 ASN 111 9.306 3.908 3.696 682 HD21 ASN 111 HD21 ASN 111 7.381 2.938 5.193 683 HD22 ASN 111 HD22 ASN 111 7.983 1.754 6.356 684 H GLY 112 H GLY 112 7.191 4.902 1.465 685 HA2 GLY 112 HA2 GLY 112 8.939 4.938 -0.942 686 HA3 GLY 112 HA3 GLY 112 7.193 4.821 -1.158 687 HA PRO 113 HA PRO 113 8.745 9.227 -0.900 688 HB2 PRO 113 HB2 PRO 113 7.847 10.200 -3.292 689 HB3 PRO 113 HB3 PRO 113 9.361 9.258 -3.129 690 HG2 PRO 113 HG2 PRO 113 6.622 8.237 -3.933 691 HG3 PRO 113 HG3 PRO 113 8.188 7.973 -4.756 692 HD2 PRO 113 HD2 PRO 113 7.117 6.148 -3.030 693 HD3 PRO 113 HD3 PRO 113 8.883 6.424 -3.097 694 H GLY 114 H GLY 114 7.700 10.725 0.021 695 HA2 GLY 114 HA2 GLY 114 5.522 12.165 0.067 696 HA3 GLY 114 HA3 GLY 114 4.785 10.612 0.496 697 H LYS 115 H LYS 115 4.991 12.993 2.220 698 HA LYS 115 HA LYS 115 6.757 11.908 4.408 699 HB2 LYS 115 HB2 LYS 115 7.765 13.719 3.112 700 HB3 LYS 115 HB3 LYS 115 6.394 14.776 3.490 701 HG2 LYS 115 HG2 LYS 115 6.954 14.820 5.843 702 HG3 LYS 115 HG3 LYS 115 8.170 13.537 5.634 703 HD2 LYS 115 HD2 LYS 115 9.518 14.990 4.216 704 HD3 LYS 115 HD3 LYS 115 8.288 16.269 4.291 705 HE2 LYS 115 HE2 LYS 115 8.676 16.674 6.604 706 HE3 LYS 115 HE3 LYS 115 9.612 15.187 6.799 707 HZ1 LYS 115 HZ1 LYS 115 10.472 17.384 5.020 708 HZ2 LYS 115 HZ2 LYS 115 11.342 16.081 5.446 709 HZ3 LYS 115 HZ3 LYS 115 11.019 17.251 6.572 710 H THR 116 H THR 116 3.598 13.521 3.812 711 HA THR 116 HA THR 116 2.970 12.830 6.635 712 HB THR 116 HB THR 116 3.688 15.044 6.960 713 HG1 THR 116 HG1 THR 116 1.905 15.730 7.898 714 HG21 THR 116 HG21 THR 116 1.873 15.942 4.680 715 HG22 THR 116 HG22 THR 116 3.649 15.954 4.663 716 HG23 THR 116 HG23 THR 116 2.772 16.997 5.785 717 H ASN 117 H ASN 117 1.091 11.935 6.878 718 HA ASN 117 HA ASN 117 -0.826 11.752 4.679 719 HB2 ASN 117 HB2 ASN 117 -1.059 10.847 7.591 720 HB3 ASN 117 HB3 ASN 117 -2.171 10.439 6.282 721 HD21 ASN 117 HD21 ASN 117 -0.883 9.563 4.218 722 HD22 ASN 117 HD22 ASN 117 0.360 8.398 4.633 723 H GLU 118 H GLU 118 -0.221 14.322 6.803 724 HA GLU 118 HA GLU 118 -3.050 14.879 7.363 725 HB2 GLU 118 HB2 GLU 118 -0.598 16.482 8.159 726 HB3 GLU 118 HB3 GLU 118 -2.233 16.603 8.817 727 HG2 GLU 118 HG2 GLU 118 -1.997 14.137 9.508 728 HG3 GLU 118 HG3 GLU 118 -0.273 14.301 9.161 729 H TYR 119 H TYR 119 -0.925 15.789 4.944 730 HA TYR 119 HA TYR 119 -1.890 16.928 2.968 731 HB2 TYR 119 HB2 TYR 119 -3.602 18.240 4.078 732 HB3 TYR 119 HB3 TYR 119 -2.355 19.118 4.977 733 HD1 TYR 119 HD1 TYR 119 -3.791 18.503 1.579 734 HD2 TYR 119 HD2 TYR 119 -1.267 21.026 4.007 735 HE1 TYR 119 HE1 TYR 119 -3.671 20.164 -0.272 736 HE2 TYR 119 HE2 TYR 119 -1.169 22.690 2.158 737 HH TYR 119 HH TYR 119 -2.919 22.230 -0.926 738 H ALA 120 H ALA 120 -0.327 17.795 1.659 739 HA ALA 120 HA ALA 120 2.175 18.805 2.959 740 HB1 ALA 120 HB1 ALA 120 2.409 16.543 2.094 741 HB2 ALA 120 HB2 ALA 120 3.345 17.676 1.102 742 HB3 ALA 120 HB3 ALA 120 1.795 17.052 0.505 743 H TYR 121 H TYR 121 2.715 20.772 2.540 744 HA TYR 121 HA TYR 121 2.949 21.857 -0.110 745 HB2 TYR 121 HB2 TYR 121 0.622 22.553 0.274 746 HB3 TYR 121 HB3 TYR 121 1.063 23.250 1.827 747 HD1 TYR 121 HD1 TYR 121 1.838 23.551 -1.854 748 HD2 TYR 121 HD2 TYR 121 1.576 25.535 1.955 749 HE1 TYR 121 HE1 TYR 121 2.234 25.737 -2.977 750 HE2 TYR 121 HE2 TYR 121 1.975 27.728 0.838 751 HH TYR 121 HH TYR 121 2.407 28.037 -2.702 752 H1 ACE 6 H1 ACE 6 12.048 7.765 -9.049 753 H2 ACE 6 H2 ACE 6 12.802 8.401 -7.565 754 H3 ACE 6 H3 ACE 6 12.970 6.683 -7.986 755 H THR 7 H THR 7 10.762 5.607 -8.414 756 HA THR 7 HA THR 7 9.023 6.111 -6.033 757 HB THR 7 HB THR 7 8.235 7.130 -8.280 758 HG1 THR 7 HG1 THR 7 6.156 6.735 -7.790 759 HG21 THR 7 HG21 THR 7 8.581 5.089 -9.677 760 HG22 THR 7 HG22 THR 7 6.935 5.730 -9.759 761 HG23 THR 7 HG23 THR 7 7.263 4.292 -8.793 762 H THR 8 H THR 8 11.028 4.052 -6.954 763 HA THR 8 HA THR 8 9.352 1.562 -6.919 764 HB THR 8 HB THR 8 11.364 2.561 -8.864 765 HG1 THR 8 HG1 THR 8 9.195 0.801 -9.268 766 HG21 THR 8 HG21 THR 8 11.587 0.359 -9.905 767 HG22 THR 8 HG22 THR 8 12.493 0.468 -8.401 768 HG23 THR 8 HG23 THR 8 10.945 -0.399 -8.439 769 HA PRO 9 HA PRO 9 13.321 -0.270 -5.584 770 HB2 PRO 9 HB2 PRO 9 15.611 0.995 -4.837 771 HB3 PRO 9 HB3 PRO 9 15.124 0.603 -6.519 772 HG2 PRO 9 HG2 PRO 9 14.675 3.220 -5.026 773 HG3 PRO 9 HG3 PRO 9 15.480 3.027 -6.626 774 HD2 PRO 9 HD2 PRO 9 12.857 3.665 -6.427 775 HD3 PRO 9 HD3 PRO 9 13.389 2.477 -7.661 776 H ASP 10 H ASP 10 14.084 -1.128 -3.750 777 HA ASP 10 HA ASP 10 14.122 -1.763 -1.598 778 HB2 ASP 10 HB2 ASP 10 12.675 0.731 -0.735 779 HB3 ASP 10 HB3 ASP 10 13.212 -0.614 0.255 780 HN2 TYS 11 HN2 TYS 11 12.980 -3.563 -1.968 781 HA TYS 11 HA TYS 11 10.241 -3.370 -3.005 782 HB2 TYS 11 HB2 TYS 11 12.580 -5.082 -3.711 783 HB3 TYS 11 HB3 TYS 11 11.058 -5.949 -3.570 784 HD1 TYS 11 HD1 TYS 11 9.207 -5.567 -5.006 785 HD2 TYS 11 HD2 TYS 11 12.519 -2.846 -5.024 786 HE1 TYS 11 HE1 TYS 11 8.130 -4.296 -6.716 787 HE2 TYS 11 HE2 TYS 11 11.346 -1.464 -6.598 788 H GLY 12 H GLY 12 10.562 -2.949 -0.682 789 HA2 GLY 12 HA2 GLY 12 9.041 -3.061 1.066 790 HA3 GLY 12 HA3 GLY 12 8.382 -4.528 0.339 791 H HIS 13 H HIS 13 8.450 -4.551 3.062 792 HA HIS 13 HA HIS 13 10.360 -6.722 3.620 793 HB2 HIS 13 HB2 HIS 13 11.118 -5.670 5.721 794 HB3 HIS 13 HB3 HIS 13 11.737 -4.847 4.290 795 HD1 HIS 13 HD1 HIS 13 10.553 -2.479 3.614 796 HD2 HIS 13 HD2 HIS 13 9.299 -4.219 7.260 797 HE1 HIS 13 HE1 HIS 13 8.874 -0.826 4.729 798 HE2 HIS 13 HE2 HIS 13 8.517 -1.688 7.103 799 HN2 TYS 14 HN2 TYS 14 9.837 -7.969 5.375 800 HA TYS 14 HA TYS 14 7.081 -7.794 6.358 801 HB2 TYS 14 HB2 TYS 14 9.386 -9.681 7.038 802 HB3 TYS 14 HB3 TYS 14 7.821 -9.760 7.810 803 HD1 TYS 14 HD1 TYS 14 9.430 -10.032 4.340 804 HD2 TYS 14 HD2 TYS 14 5.921 -10.818 6.757 805 HE1 TYS 14 HE1 TYS 14 8.639 -11.549 2.698 806 HE2 TYS 14 HE2 TYS 14 5.145 -12.367 5.071 807 H ASP 15 H ASP 15 6.357 -7.330 8.336 808 HA ASP 15 HA ASP 15 8.181 -6.480 10.427 809 HB2 ASP 15 HB2 ASP 15 7.902 -4.454 8.764 810 HB3 ASP 15 HB3 ASP 15 6.340 -4.272 9.494 811 H ASP 16 H ASP 16 7.156 -5.949 12.386 812 HA ASP 16 HA ASP 16 4.359 -6.992 12.728 813 HB2 ASP 16 HB2 ASP 16 6.701 -7.452 14.612 814 HB3 ASP 16 HB3 ASP 16 5.075 -8.108 14.772 815 H LYS 17 H LYS 17 6.383 -4.269 13.351 816 HA LYS 17 HA LYS 17 4.545 -3.397 15.557 817 HB2 LYS 17 HB2 LYS 17 6.131 -2.766 16.939 818 HB3 LYS 17 HB3 LYS 17 6.977 -4.108 16.194 819 HG2 LYS 17 HG2 LYS 17 7.388 -1.129 15.690 820 HG3 LYS 17 HG3 LYS 17 8.411 -2.189 16.637 821 HD2 LYS 17 HD2 LYS 17 8.078 -2.242 13.633 822 HD3 LYS 17 HD3 LYS 17 9.453 -1.663 14.544 823 HE2 LYS 17 HE2 LYS 17 9.854 -3.944 15.444 824 HE3 LYS 17 HE3 LYS 17 8.478 -4.557 14.511 825 HZ1 LYS 17 HZ1 LYS 17 10.624 -4.885 13.378 826 HZ2 LYS 17 HZ2 LYS 17 10.854 -3.254 13.305 827 HZ3 LYS 17 HZ3 LYS 17 9.609 -3.926 12.484 828 H ASP 18 H ASP 18 6.082 -2.490 12.608 829 HA ASP 18 HA ASP 18 4.922 0.250 12.772 830 HB2 ASP 18 HB2 ASP 18 6.814 -1.163 10.854 831 HB3 ASP 18 HB3 ASP 18 6.072 0.383 10.487 832 H THR 19 H THR 19 3.537 -2.586 12.315 833 HA THR 19 HA THR 19 2.183 -2.601 9.832 834 HB THR 19 HB THR 19 2.231 -4.563 11.375 835 HG1 THR 19 HG1 THR 19 0.693 -5.186 10.423 836 HG21 THR 19 HG21 THR 19 0.205 -3.255 13.118 837 HG22 THR 19 HG22 THR 19 1.944 -3.279 13.512 838 HG23 THR 19 HG23 THR 19 1.109 -4.800 13.277 839 H LEU 20 H LEU 20 -0.238 -2.435 9.552 840 HA LEU 20 HA LEU 20 -1.580 -0.241 11.031 841 HB2 LEU 20 HB2 LEU 20 -1.347 0.397 8.599 842 HB3 LEU 20 HB3 LEU 20 -1.976 -1.213 8.158 843 HG LEU 20 HG LEU 20 -4.137 -0.627 9.156 844 HD11 LEU 20 HD11 LEU 20 -4.588 1.794 9.646 845 HD12 LEU 20 HD12 LEU 20 -2.849 2.122 9.532 846 HD13 LEU 20 HD13 LEU 20 -3.491 1.065 10.815 847 HD21 LEU 20 HD21 LEU 20 -3.749 -0.346 6.837 848 HD22 LEU 20 HD22 LEU 20 -3.036 1.265 7.047 849 HD23 LEU 20 HD23 LEU 20 -4.768 0.981 7.378 850 H ASP 21 H ASP 21 -3.533 -0.917 11.892 851 HA ASP 21 HA ASP 21 -4.527 -3.624 11.158 852 HB2 ASP 21 HB2 ASP 21 -5.986 -3.404 13.207 853 HB3 ASP 21 HB3 ASP 21 -4.346 -3.901 13.381 854 H LEU 22 H LEU 22 -6.453 -3.937 10.713 855 HA LEU 22 HA LEU 22 -8.013 -1.635 9.544 856 HB2 LEU 22 HB2 LEU 22 -7.299 -4.433 8.779 857 HB3 LEU 22 HB3 LEU 22 -8.926 -3.901 8.314 858 HG LEU 22 HG LEU 22 -7.973 -2.100 6.976 859 HD11 LEU 22 HD11 LEU 22 -6.020 -1.443 8.240 860 HD12 LEU 22 HD12 LEU 22 -5.475 -2.029 6.677 861 HD13 LEU 22 HD13 LEU 22 -5.316 -3.064 8.121 862 HD21 LEU 22 HD21 LEU 22 -6.487 -4.746 6.630 863 HD22 LEU 22 HD22 LEU 22 -6.717 -3.514 5.365 864 HD23 LEU 22 HD23 LEU 22 -8.127 -4.373 6.030 865 H ASN 23 H ASN 23 -8.354 -4.367 11.765 866 HA ASN 23 HA ASN 23 -10.842 -3.618 12.834 867 HB2 ASN 23 HB2 ASN 23 -12.258 -5.394 11.948 868 HB3 ASN 23 HB3 ASN 23 -11.723 -4.398 10.624 869 HD21 ASN 23 HD21 ASN 23 -9.375 -5.351 9.792 870 HD22 ASN 23 HD22 ASN 23 -9.684 -6.975 9.161 871 H THR 24 H THR 24 -11.633 -5.528 14.183 872 HA THR 24 HA THR 24 -9.656 -7.656 14.730 873 HB THR 24 HB THR 24 -8.910 -5.886 16.133 874 HG1 THR 24 HG1 THR 24 -8.877 -6.866 18.053 875 HG21 THR 24 HG21 THR 24 -10.233 -4.996 18.001 876 HG22 THR 24 HG22 THR 24 -10.903 -4.570 16.427 877 HG23 THR 24 HG23 THR 24 -11.666 -5.862 17.394 878 HA PRO 25 HA PRO 25 -13.698 -9.113 16.741 879 HB2 PRO 25 HB2 PRO 25 -16.065 -8.709 15.441 880 HB3 PRO 25 HB3 PRO 25 -15.405 -7.585 16.669 881 HG2 PRO 25 HG2 PRO 25 -15.229 -7.369 13.656 882 HG3 PRO 25 HG3 PRO 25 -15.622 -6.088 14.844 883 HD2 PRO 25 HD2 PRO 25 -13.167 -6.406 13.771 884 HD3 PRO 25 HD3 PRO 25 -13.402 -5.806 15.454 885 H VAL 26 H VAL 26 -13.899 -11.239 16.421 886 HA VAL 26 HA VAL 26 -14.703 -12.433 13.902 887 HB VAL 26 HB VAL 26 -12.245 -12.014 13.559 888 HG11 VAL 26 HG11 VAL 26 -11.729 -14.207 15.584 889 HG12 VAL 26 HG12 VAL 26 -11.465 -12.474 15.909 890 HG13 VAL 26 HG13 VAL 26 -10.553 -13.293 14.631 891 HG21 VAL 26 HG21 VAL 26 -13.385 -13.690 12.296 892 HG22 VAL 26 HG22 VAL 26 -13.149 -14.907 13.577 893 HG23 VAL 26 HG23 VAL 26 -11.757 -14.260 12.694 894 H ASP 27 H ASP 27 -15.700 -14.410 14.279 895 HA ASP 27 HA ASP 27 -16.472 -14.871 17.007 896 HB2 ASP 27 HB2 ASP 27 -16.954 -16.652 14.588 897 HB3 ASP 27 HB3 ASP 27 -17.829 -16.695 16.123 898 H LYS 28 H LYS 28 -13.994 -16.375 15.086 899 HA LYS 28 HA LYS 28 -12.973 -17.966 17.317 900 HB2 LYS 28 HB2 LYS 28 -13.043 -20.112 16.178 901 HB3 LYS 28 HB3 LYS 28 -14.678 -19.487 16.360 902 HG2 LYS 28 HG2 LYS 28 -14.579 -18.694 13.950 903 HG3 LYS 28 HG3 LYS 28 -12.995 -19.483 13.813 904 HD2 LYS 28 HD2 LYS 28 -14.045 -21.664 14.390 905 HD3 LYS 28 HD3 LYS 28 -15.628 -20.860 14.485 906 HE2 LYS 28 HE2 LYS 28 -15.345 -20.124 12.093 907 HE3 LYS 28 HE3 LYS 28 -13.819 -21.024 12.030 908 HZ1 LYS 28 HZ1 LYS 28 -16.503 -22.170 12.527 909 HZ2 LYS 28 HZ2 LYS 28 -15.089 -23.041 12.551 910 HZ3 LYS 28 HZ3 LYS 28 -15.640 -22.376 11.152 911 HN1 NH2 29 HN1 NH2 29 -9.840 -17.984 15.663 912 HN2 NH2 29 HN2 NH2 29 -10.785 -18.639 16.991 Start of MODEL 18 1 H1 ASN 31 H1 ASN 31 4.042 1.584 -14.324 2 H2 ASN 31 H2 ASN 31 3.942 2.488 -15.703 3 H3 ASN 31 H3 ASN 31 5.274 1.568 -15.414 4 HA ASN 31 HA ASN 31 5.748 3.877 -15.009 5 HB2 ASN 31 HB2 ASN 31 3.510 3.624 -12.952 6 HB3 ASN 31 HB3 ASN 31 4.735 4.886 -12.906 7 HD21 ASN 31 HD21 ASN 31 3.839 6.811 -13.662 8 HD22 ASN 31 HD22 ASN 31 2.861 6.869 -15.117 9 H SER 32 H SER 32 7.698 2.805 -14.672 10 HA SER 32 HA SER 32 8.488 1.414 -12.342 11 HB2 SER 32 HB2 SER 32 10.110 3.305 -14.099 12 HB3 SER 32 HB3 SER 32 10.775 2.113 -12.966 13 HG SER 32 HG SER 32 9.855 0.481 -14.142 14 H GLY 33 H GLY 33 8.078 4.912 -12.779 15 HA2 GLY 33 HA2 GLY 33 9.702 5.424 -10.319 16 HA3 GLY 33 HA3 GLY 33 9.511 6.487 -11.702 17 H LEU 34 H LEU 34 6.778 6.759 -12.012 18 HA LEU 34 HA LEU 34 5.805 7.845 -9.402 19 HB2 LEU 34 HB2 LEU 34 6.397 9.400 -11.943 20 HB3 LEU 34 HB3 LEU 34 5.431 10.031 -10.622 21 HG LEU 34 HG LEU 34 8.362 9.253 -10.354 22 HD11 LEU 34 HD11 LEU 34 8.053 11.161 -11.856 23 HD12 LEU 34 HD12 LEU 34 8.761 11.679 -10.319 24 HD13 LEU 34 HD13 LEU 34 7.037 11.974 -10.647 25 HD21 LEU 34 HD21 LEU 34 7.147 9.158 -8.190 26 HD22 LEU 34 HD22 LEU 34 6.486 10.780 -8.490 27 HD23 LEU 34 HD23 LEU 34 8.232 10.550 -8.245 28 HA PRO 35 HA PRO 35 1.968 6.661 -11.623 29 HB2 PRO 35 HB2 PRO 35 0.666 5.490 -9.563 30 HB3 PRO 35 HB3 PRO 35 2.025 4.658 -10.381 31 HG2 PRO 35 HG2 PRO 35 2.069 6.156 -7.754 32 HG3 PRO 35 HG3 PRO 35 2.827 4.586 -8.161 33 HD2 PRO 35 HD2 PRO 35 4.101 7.097 -8.213 34 HD3 PRO 35 HD3 PRO 35 4.694 5.662 -9.086 35 H THR 36 H THR 36 0.053 7.926 -11.679 36 HA THR 36 HA THR 36 -0.837 9.207 -9.153 37 HB THR 36 HB THR 36 0.436 10.904 -10.248 38 HG1 THR 36 HG1 THR 36 -1.131 12.507 -10.246 39 HG21 THR 36 HG21 THR 36 -0.645 12.037 -12.311 40 HG22 THR 36 HG22 THR 36 -1.438 10.473 -12.585 41 HG23 THR 36 HG23 THR 36 0.332 10.597 -12.555 42 H THR 37 H THR 37 -1.649 6.836 -10.570 43 HA THR 37 HA THR 37 -4.503 7.323 -10.158 44 HB THR 37 HB THR 37 -5.229 5.803 -11.928 45 HG1 THR 37 HG1 THR 37 -3.702 5.119 -13.514 46 HG21 THR 37 HG21 THR 37 -4.878 7.146 -13.911 47 HG22 THR 37 HG22 THR 37 -3.490 7.965 -13.163 48 HG23 THR 37 HG23 THR 37 -5.125 8.203 -12.510 49 H LEU 38 H LEU 38 -5.568 5.373 -9.302 50 HA LEU 38 HA LEU 38 -3.856 3.564 -7.853 51 HB2 LEU 38 HB2 LEU 38 -6.782 3.473 -8.604 52 HB3 LEU 38 HB3 LEU 38 -5.999 2.033 -7.985 53 HG LEU 38 HG LEU 38 -6.170 4.648 -6.468 54 HD11 LEU 38 HD11 LEU 38 -7.777 3.403 -5.058 55 HD12 LEU 38 HD12 LEU 38 -7.628 1.979 -6.103 56 HD13 LEU 38 HD13 LEU 38 -8.359 3.469 -6.717 57 HD21 LEU 38 HD21 LEU 38 -5.252 1.858 -5.577 58 HD22 LEU 38 HD22 LEU 38 -5.425 3.284 -4.531 59 HD23 LEU 38 HD23 LEU 38 -4.181 3.252 -5.776 60 H GLY 39 H GLY 39 -5.255 3.312 -11.145 61 HA2 GLY 39 HA2 GLY 39 -4.759 0.648 -11.712 62 HA3 GLY 39 HA3 GLY 39 -4.607 1.948 -12.893 63 H LYS 40 H LYS 40 -2.412 3.325 -12.006 64 HA LYS 40 HA LYS 40 -0.183 1.645 -12.824 65 HB2 LYS 40 HB2 LYS 40 -0.489 4.542 -11.927 66 HB3 LYS 40 HB3 LYS 40 1.062 3.842 -12.436 67 HG2 LYS 40 HG2 LYS 40 0.271 3.363 -14.630 68 HG3 LYS 40 HG3 LYS 40 -1.399 3.684 -14.210 69 HD2 LYS 40 HD2 LYS 40 -0.994 6.059 -13.947 70 HD3 LYS 40 HD3 LYS 40 0.741 5.820 -14.201 71 HE2 LYS 40 HE2 LYS 40 0.276 4.926 -16.481 72 HE3 LYS 40 HE3 LYS 40 -1.455 5.205 -16.223 73 HZ1 LYS 40 HZ1 LYS 40 0.638 7.319 -16.284 74 HZ2 LYS 40 HZ2 LYS 40 -0.989 7.564 -16.001 75 HZ3 LYS 40 HZ3 LYS 40 -0.485 7.033 -17.447 76 H LEU 41 H LEU 41 -1.211 3.023 -9.666 77 HA LEU 41 HA LEU 41 1.227 2.165 -8.336 78 HB2 LEU 41 HB2 LEU 41 -0.039 4.072 -7.517 79 HB3 LEU 41 HB3 LEU 41 -1.471 3.068 -7.264 80 HG LEU 41 HG LEU 41 -0.328 1.799 -5.501 81 HD11 LEU 41 HD11 LEU 41 1.842 2.468 -4.621 82 HD12 LEU 41 HD12 LEU 41 2.036 3.682 -5.909 83 HD13 LEU 41 HD13 LEU 41 2.036 1.939 -6.281 84 HD21 LEU 41 HD21 LEU 41 -1.515 3.808 -4.840 85 HD22 LEU 41 HD22 LEU 41 -0.061 4.797 -5.126 86 HD23 LEU 41 HD23 LEU 41 -0.062 3.573 -3.834 87 H ASP 42 H ASP 42 -2.053 0.771 -8.540 88 HA ASP 42 HA ASP 42 -1.658 -1.467 -6.785 89 HB2 ASP 42 HB2 ASP 42 -3.801 -0.351 -7.634 90 HB3 ASP 42 HB3 ASP 42 -3.511 -1.104 -9.204 91 H GLU 43 H GLU 43 -1.141 -1.094 -10.283 92 HA GLU 43 HA GLU 43 -0.211 -3.790 -10.744 93 HB2 GLU 43 HB2 GLU 43 -0.997 -2.147 -12.462 94 HB3 GLU 43 HB3 GLU 43 0.501 -1.232 -12.241 95 HG2 GLU 43 HG2 GLU 43 1.805 -3.223 -12.964 96 HG3 GLU 43 HG3 GLU 43 0.307 -4.147 -13.135 97 H ARG 44 H ARG 44 1.496 -0.751 -9.798 98 HA ARG 44 HA ARG 44 4.132 -1.796 -9.656 99 HB2 ARG 44 HB2 ARG 44 2.931 0.654 -9.108 100 HB3 ARG 44 HB3 ARG 44 3.295 0.086 -7.484 101 HG2 ARG 44 HG2 ARG 44 5.662 -0.411 -8.508 102 HG3 ARG 44 HG3 ARG 44 5.146 0.710 -9.773 103 HD2 ARG 44 HD2 ARG 44 4.595 2.375 -7.903 104 HD3 ARG 44 HD3 ARG 44 5.394 1.247 -6.779 105 HE ARG 44 HE ARG 44 7.072 1.804 -9.043 106 HH11 ARG 44 HH11 ARG 44 6.276 3.113 -5.846 107 HH12 ARG 44 HH12 ARG 44 7.754 4.041 -5.816 108 HH21 ARG 44 HH21 ARG 44 8.789 3.233 -8.942 109 HH22 ARG 44 HH22 ARG 44 8.993 4.246 -7.509 110 H LEU 45 H LEU 45 1.686 -1.613 -7.053 111 HA LEU 45 HA LEU 45 3.337 -2.881 -5.113 112 HB2 LEU 45 HB2 LEU 45 0.350 -2.400 -5.349 113 HB3 LEU 45 HB3 LEU 45 1.079 -3.065 -3.898 114 HG LEU 45 HG LEU 45 1.902 -0.376 -5.095 115 HD11 LEU 45 HD11 LEU 45 -0.435 -0.312 -4.418 116 HD12 LEU 45 HD12 LEU 45 0.558 0.607 -3.265 117 HD13 LEU 45 HD13 LEU 45 -0.028 -1.017 -2.847 118 HD21 LEU 45 HD21 LEU 45 2.846 0.050 -2.862 119 HD22 LEU 45 HD22 LEU 45 3.642 -1.314 -3.650 120 HD23 LEU 45 HD23 LEU 45 2.441 -1.602 -2.366 121 H ARG 46 H ARG 46 0.973 -4.357 -7.354 122 HA ARG 46 HA ARG 46 1.186 -7.050 -6.266 123 HB2 ARG 46 HB2 ARG 46 0.462 -6.001 -9.036 124 HB3 ARG 46 HB3 ARG 46 0.401 -7.714 -8.584 125 HG2 ARG 46 HG2 ARG 46 -1.243 -7.279 -6.845 126 HG3 ARG 46 HG3 ARG 46 -1.138 -5.540 -7.125 127 HD2 ARG 46 HD2 ARG 46 -1.828 -6.157 -9.591 128 HD3 ARG 46 HD3 ARG 46 -2.380 -7.676 -8.865 129 HE ARG 46 HE ARG 46 -3.211 -4.938 -7.924 130 HH11 ARG 46 HH11 ARG 46 -4.361 -8.213 -8.605 131 HH12 ARG 46 HH12 ARG 46 -5.949 -7.824 -7.969 132 HH21 ARG 46 HH21 ARG 46 -5.098 -4.526 -7.326 133 HH22 ARG 46 HH22 ARG 46 -6.395 -5.743 -7.303 134 H ASN 47 H ASN 47 3.199 -5.159 -8.481 135 HA ASN 47 HA ASN 47 4.940 -7.472 -9.098 136 HB2 ASN 47 HB2 ASN 47 5.009 -4.518 -9.765 137 HB3 ASN 47 HB3 ASN 47 6.432 -5.524 -9.954 138 HD21 ASN 47 HD21 ASN 47 3.261 -4.805 -11.256 139 HD22 ASN 47 HD22 ASN 47 3.429 -5.890 -12.646 140 H TYR 48 H TYR 48 5.073 -4.734 -6.797 141 HA TYR 48 HA TYR 48 7.610 -5.291 -5.789 142 HB2 TYR 48 HB2 TYR 48 5.181 -3.921 -4.730 143 HB3 TYR 48 HB3 TYR 48 6.448 -4.298 -3.622 144 HD1 TYR 48 HD1 TYR 48 6.367 -2.848 -7.135 145 HD2 TYR 48 HD2 TYR 48 7.915 -2.571 -3.129 146 HE1 TYR 48 HE1 TYR 48 7.612 -0.801 -7.745 147 HE2 TYR 48 HE2 TYR 48 9.225 -0.547 -3.806 148 HH TYR 48 HH TYR 48 9.853 0.679 -5.494 149 H LEU 49 H LEU 49 4.535 -6.886 -4.766 150 HA LEU 49 HA LEU 49 5.786 -8.452 -2.724 151 HB2 LEU 49 HB2 LEU 49 3.428 -9.060 -4.549 152 HB3 LEU 49 HB3 LEU 49 3.959 -10.170 -3.283 153 HG LEU 49 HG LEU 49 3.159 -7.321 -2.722 154 HD11 LEU 49 HD11 LEU 49 1.249 -8.583 -3.678 155 HD12 LEU 49 HD12 LEU 49 1.000 -8.359 -1.941 156 HD13 LEU 49 HD13 LEU 49 1.553 -9.920 -2.543 157 HD21 LEU 49 HD21 LEU 49 3.408 -9.720 -0.870 158 HD22 LEU 49 HD22 LEU 49 2.868 -8.098 -0.409 159 HD23 LEU 49 HD23 LEU 49 4.529 -8.334 -0.938 160 H LYS 50 H LYS 50 5.394 -9.320 -6.216 161 HA LYS 50 HA LYS 50 6.681 -11.878 -5.999 162 HB2 LYS 50 HB2 LYS 50 6.762 -9.972 -8.367 163 HB3 LYS 50 HB3 LYS 50 7.125 -11.700 -8.354 164 HG2 LYS 50 HG2 LYS 50 4.801 -12.259 -7.865 165 HG3 LYS 50 HG3 LYS 50 4.370 -10.545 -7.784 166 HD2 LYS 50 HD2 LYS 50 5.480 -11.940 -10.268 167 HD3 LYS 50 HD3 LYS 50 3.766 -11.611 -9.965 168 HE2 LYS 50 HE2 LYS 50 4.247 -9.184 -9.824 169 HE3 LYS 50 HE3 LYS 50 5.960 -9.491 -10.176 170 HZ1 LYS 50 HZ1 LYS 50 3.712 -10.087 -12.009 171 HZ2 LYS 50 HZ2 LYS 50 5.308 -10.335 -12.348 172 HZ3 LYS 50 HZ3 LYS 50 4.758 -8.812 -12.120 173 H LYS 51 H LYS 51 7.992 -8.681 -6.672 174 HA LYS 51 HA LYS 51 10.772 -9.256 -7.044 175 HB2 LYS 51 HB2 LYS 51 9.177 -6.884 -6.159 176 HB3 LYS 51 HB3 LYS 51 10.930 -6.814 -6.360 177 HG2 LYS 51 HG2 LYS 51 9.492 -7.920 -8.720 178 HG3 LYS 51 HG3 LYS 51 9.014 -6.270 -8.290 179 HD2 LYS 51 HD2 LYS 51 11.358 -5.547 -8.271 180 HD3 LYS 51 HD3 LYS 51 11.880 -7.190 -8.758 181 HE2 LYS 51 HE2 LYS 51 10.479 -7.030 -10.795 182 HE3 LYS 51 HE3 LYS 51 9.940 -5.415 -10.290 183 HZ1 LYS 51 HZ1 LYS 51 12.169 -4.623 -10.477 184 HZ2 LYS 51 HZ2 LYS 51 11.742 -5.301 -11.909 185 HZ3 LYS 51 HZ3 LYS 51 12.763 -6.115 -10.904 186 H GLY 52 H GLY 52 8.920 -8.665 -4.065 187 HA2 GLY 52 HA2 GLY 52 11.447 -8.288 -2.564 188 HA3 GLY 52 HA3 GLY 52 9.863 -7.671 -2.217 189 H THR 53 H THR 53 8.486 -10.337 -2.455 190 HA THR 53 HA THR 53 9.083 -11.286 0.262 191 HB THR 53 HB THR 53 7.008 -12.486 0.108 192 HG1 THR 53 HG1 THR 53 6.702 -11.374 -2.531 193 HG21 THR 53 HG21 THR 53 5.373 -10.725 -0.219 194 HG22 THR 53 HG22 THR 53 6.629 -9.662 -0.910 195 HG23 THR 53 HG23 THR 53 6.735 -10.224 0.777 196 H LYS 54 H LYS 54 8.829 -13.693 0.726 197 HA LYS 54 HA LYS 54 10.542 -15.293 -1.060 198 HB2 LYS 54 HB2 LYS 54 9.008 -16.248 1.385 199 HB3 LYS 54 HB3 LYS 54 10.295 -17.081 0.552 200 HG2 LYS 54 HG2 LYS 54 10.612 -14.483 2.123 201 HG3 LYS 54 HG3 LYS 54 11.005 -16.103 2.700 202 HD2 LYS 54 HD2 LYS 54 12.708 -16.322 0.901 203 HD3 LYS 54 HD3 LYS 54 12.328 -14.667 0.365 204 HE2 LYS 54 HE2 LYS 54 12.945 -13.787 2.591 205 HE3 LYS 54 HE3 LYS 54 13.299 -15.425 3.160 206 HZ1 LYS 54 HZ1 LYS 54 15.316 -14.243 2.443 207 HZ2 LYS 54 HZ2 LYS 54 15.051 -15.569 1.488 208 HZ3 LYS 54 HZ3 LYS 54 14.703 -14.056 0.939 209 H ASN 55 H ASN 55 7.093 -15.109 -0.119 210 HA ASN 55 HA ASN 55 6.332 -16.105 -2.776 211 HB2 ASN 55 HB2 ASN 55 6.361 -18.021 -1.105 212 HB3 ASN 55 HB3 ASN 55 5.247 -17.104 -0.085 213 HD21 ASN 55 HD21 ASN 55 3.647 -18.694 -0.157 214 HD22 ASN 55 HD22 ASN 55 2.854 -19.185 -1.648 215 H SER 56 H SER 56 4.397 -15.259 -3.459 216 HA SER 56 HA SER 56 3.154 -13.036 -1.909 217 HB2 SER 56 HB2 SER 56 4.140 -12.544 -4.143 218 HB3 SER 56 HB3 SER 56 3.009 -13.691 -4.881 219 HG SER 56 HG SER 56 2.185 -11.556 -5.013 220 H ALA 57 H ALA 57 2.438 -16.271 -3.037 221 HA ALA 57 HA ALA 57 -0.259 -15.986 -3.775 222 HB1 ALA 57 HB1 ALA 57 1.133 -18.442 -2.650 223 HB2 ALA 57 HB2 ALA 57 1.287 -17.891 -4.328 224 HB3 ALA 57 HB3 ALA 57 -0.286 -18.427 -3.711 225 H GLN 58 H GLN 58 0.976 -16.211 -0.534 226 HA GLN 58 HA GLN 58 -1.464 -17.213 0.687 227 HB2 GLN 58 HB2 GLN 58 -0.250 -17.041 2.730 228 HB3 GLN 58 HB3 GLN 58 0.799 -17.782 1.539 229 HG2 GLN 58 HG2 GLN 58 0.999 -14.811 2.197 230 HG3 GLN 58 HG3 GLN 58 1.735 -16.036 3.203 231 HE21 GLN 58 HE21 GLN 58 3.909 -15.267 2.802 232 HE22 GLN 58 HE22 GLN 58 4.547 -15.175 1.165 233 H PHE 59 H PHE 59 -0.365 -14.116 -0.347 234 HA PHE 59 HA PHE 59 -1.736 -12.536 1.680 235 HB2 PHE 59 HB2 PHE 59 -0.385 -11.813 -0.917 236 HB3 PHE 59 HB3 PHE 59 -1.210 -10.656 0.111 237 HD1 PHE 59 HD1 PHE 59 -0.357 -10.048 2.343 238 HD2 PHE 59 HD2 PHE 59 1.789 -12.825 -0.149 239 HE1 PHE 59 HE1 PHE 59 1.671 -9.739 3.740 240 HE2 PHE 59 HE2 PHE 59 3.809 -12.524 1.245 241 HZ PHE 59 HZ PHE 59 3.766 -10.968 3.179 242 H GLU 60 H GLU 60 -3.540 -11.209 1.333 243 HA GLU 60 HA GLU 60 -5.557 -12.200 -0.658 244 HB2 GLU 60 HB2 GLU 60 -5.956 -13.275 1.458 245 HB3 GLU 60 HB3 GLU 60 -5.734 -11.763 2.350 246 HG2 GLU 60 HG2 GLU 60 -7.774 -10.823 1.427 247 HG3 GLU 60 HG3 GLU 60 -7.965 -12.198 0.332 248 H LYS 61 H LYS 61 -4.555 -9.487 1.498 249 HA LYS 61 HA LYS 61 -5.520 -7.660 -0.588 250 HB2 LYS 61 HB2 LYS 61 -7.082 -6.513 0.522 251 HB3 LYS 61 HB3 LYS 61 -7.426 -8.096 1.149 252 HG2 LYS 61 HG2 LYS 61 -6.741 -7.527 3.334 253 HG3 LYS 61 HG3 LYS 61 -5.629 -6.273 2.780 254 HD2 LYS 61 HD2 LYS 61 -7.482 -4.886 2.020 255 HD3 LYS 61 HD3 LYS 61 -8.648 -6.076 2.645 256 HE2 LYS 61 HE2 LYS 61 -7.679 -5.693 4.930 257 HE3 LYS 61 HE3 LYS 61 -6.584 -4.493 4.229 258 HZ1 LYS 61 HZ1 LYS 61 -9.564 -4.301 4.263 259 HZ2 LYS 61 HZ2 LYS 61 -8.587 -3.196 3.547 260 HZ3 LYS 61 HZ3 LYS 61 -8.568 -3.394 5.151 261 H MET 62 H MET 62 -5.073 -5.411 -0.094 262 HA MET 62 HA MET 62 -2.862 -4.889 1.785 263 HB2 MET 62 HB2 MET 62 -1.598 -3.577 0.180 264 HB3 MET 62 HB3 MET 62 -1.768 -5.241 -0.369 265 HG2 MET 62 HG2 MET 62 -3.548 -4.574 -1.933 266 HG3 MET 62 HG3 MET 62 -3.407 -2.893 -1.383 267 HE1 MET 62 HE1 MET 62 -1.878 -3.031 -5.082 268 HE2 MET 62 HE2 MET 62 -3.146 -2.300 -4.076 269 HE3 MET 62 HE3 MET 62 -3.183 -4.041 -4.452 270 H VAL 63 H VAL 63 -2.574 -2.583 2.213 271 HA VAL 63 HA VAL 63 -4.836 -0.842 1.522 272 HB VAL 63 HB VAL 63 -5.275 -1.943 3.795 273 HG11 VAL 63 HG11 VAL 63 -4.191 -1.421 5.646 274 HG12 VAL 63 HG12 VAL 63 -3.336 -0.004 4.945 275 HG13 VAL 63 HG13 VAL 63 -2.844 -1.647 4.516 276 HG21 VAL 63 HG21 VAL 63 -5.084 1.094 3.696 277 HG22 VAL 63 HG22 VAL 63 -6.063 0.122 4.815 278 HG23 VAL 63 HG23 VAL 63 -6.439 0.112 3.083 279 H ILE 64 H ILE 64 -4.155 1.116 0.949 280 HA ILE 64 HA ILE 64 -1.225 1.718 1.108 281 HB ILE 64 HB ILE 64 -3.337 2.744 -0.808 282 HG12 ILE 64 HG12 ILE 64 -1.300 0.585 -1.462 283 HG13 ILE 64 HG13 ILE 64 -2.957 0.209 -1.008 284 HG21 ILE 64 HG21 ILE 64 -0.307 2.798 -1.084 285 HG22 ILE 64 HG22 ILE 64 -1.293 4.177 -0.543 286 HG23 ILE 64 HG23 ILE 64 -1.514 3.543 -2.159 287 HD11 ILE 64 HD11 ILE 64 -3.803 1.537 -2.926 288 HD12 ILE 64 HD12 ILE 64 -2.822 0.132 -3.377 289 HD13 ILE 64 HD13 ILE 64 -2.121 1.756 -3.471 290 H LEU 65 H LEU 65 -0.552 3.585 2.104 291 HA LEU 65 HA LEU 65 -2.625 5.553 2.991 292 HB2 LEU 65 HB2 LEU 65 -0.028 4.937 4.428 293 HB3 LEU 65 HB3 LEU 65 -1.295 6.051 4.917 294 HG LEU 65 HG LEU 65 -1.458 3.014 4.875 295 HD11 LEU 65 HD11 LEU 65 -0.238 4.180 6.755 296 HD12 LEU 65 HD12 LEU 65 -1.650 3.242 7.281 297 HD13 LEU 65 HD13 LEU 65 -1.740 5.012 7.163 298 HD21 LEU 65 HD21 LEU 65 -3.625 5.038 5.598 299 HD22 LEU 65 HD22 LEU 65 -3.688 3.284 5.927 300 HD23 LEU 65 HD23 LEU 65 -3.688 3.869 4.265 301 H THR 66 H THR 66 -2.522 7.224 1.692 302 HA THR 66 HA THR 66 0.103 8.104 0.578 303 HB THR 66 HB THR 66 -1.139 9.376 -1.036 304 HG1 THR 66 HG1 THR 66 -2.931 9.990 0.064 305 HG21 THR 66 HG21 THR 66 -0.736 6.986 -1.551 306 HG22 THR 66 HG22 THR 66 -2.192 7.629 -2.334 307 HG23 THR 66 HG23 THR 66 -2.350 6.592 -0.901 308 H GLU 67 H GLU 67 0.445 10.515 0.351 309 HA GLU 67 HA GLU 67 -0.204 12.069 2.649 310 HB2 GLU 67 HB2 GLU 67 0.134 13.250 -0.120 311 HB3 GLU 67 HB3 GLU 67 0.382 14.018 1.443 312 HG2 GLU 67 HG2 GLU 67 2.255 12.284 1.820 313 HG3 GLU 67 HG3 GLU 67 2.095 11.891 0.110 314 H ASN 68 H ASN 68 -1.698 13.905 2.766 315 HA ASN 68 HA ASN 68 -3.825 14.719 2.907 316 HB2 ASN 68 HB2 ASN 68 -4.103 13.888 0.022 317 HB3 ASN 68 HB3 ASN 68 -4.924 15.211 0.815 318 HD21 ASN 68 HD21 ASN 68 -2.540 14.648 -1.321 319 HD22 ASN 68 HD22 ASN 68 -1.283 15.780 -0.770 320 H LYS 69 H LYS 69 -3.574 12.304 4.022 321 HA LYS 69 HA LYS 69 -4.768 10.791 5.149 322 HB2 LYS 69 HB2 LYS 69 -7.147 12.480 4.321 323 HB3 LYS 69 HB3 LYS 69 -7.011 11.474 5.761 324 HG2 LYS 69 HG2 LYS 69 -5.355 12.959 6.751 325 HG3 LYS 69 HG3 LYS 69 -5.219 13.894 5.258 326 HD2 LYS 69 HD2 LYS 69 -6.569 15.210 6.626 327 HD3 LYS 69 HD3 LYS 69 -7.653 14.468 5.441 328 HE2 LYS 69 HE2 LYS 69 -8.289 12.748 7.109 329 HE3 LYS 69 HE3 LYS 69 -7.230 13.520 8.293 330 HZ1 LYS 69 HZ1 LYS 69 -9.643 14.730 7.037 331 HZ2 LYS 69 HZ2 LYS 69 -8.626 15.568 8.012 332 HZ3 LYS 69 HZ3 LYS 69 -9.484 14.288 8.613 333 H GLY 70 H GLY 70 -4.681 10.354 2.073 334 HA2 GLY 70 HA2 GLY 70 -7.008 8.791 1.415 335 HA3 GLY 70 HA3 GLY 70 -5.460 8.763 0.569 336 H TYR 71 H TYR 71 -7.568 6.854 2.041 337 HA TYR 71 HA TYR 71 -5.560 4.808 2.890 338 HB2 TYR 71 HB2 TYR 71 -6.659 5.813 4.842 339 HB3 TYR 71 HB3 TYR 71 -8.235 5.509 4.150 340 HD1 TYR 71 HD1 TYR 71 -8.874 2.981 3.703 341 HD2 TYR 71 HD2 TYR 71 -5.796 4.266 6.466 342 HE1 TYR 71 HE1 TYR 71 -9.197 0.928 5.067 343 HE2 TYR 71 HE2 TYR 71 -6.216 2.272 7.853 344 HH TYR 71 HH TYR 71 -7.700 0.497 8.246 345 H TYR 72 H TYR 72 -5.575 3.391 1.256 346 HA TYR 72 HA TYR 72 -8.162 2.782 -0.157 347 HB2 TYR 72 HB2 TYR 72 -5.390 2.850 -1.358 348 HB3 TYR 72 HB3 TYR 72 -6.874 2.473 -2.184 349 HD1 TYR 72 HD1 TYR 72 -4.820 5.185 -0.715 350 HD2 TYR 72 HD2 TYR 72 -8.394 4.209 -2.928 351 HE1 TYR 72 HE1 TYR 72 -4.978 7.543 -1.516 352 HE2 TYR 72 HE2 TYR 72 -8.541 6.549 -3.739 353 HH TYR 72 HH TYR 72 -7.639 8.614 -3.671 354 H THR 73 H THR 73 -8.818 0.893 0.626 355 HA THR 73 HA THR 73 -7.060 -1.437 0.985 356 HB THR 73 HB THR 73 -10.026 -0.912 1.098 357 HG1 THR 73 HG1 THR 73 -9.564 -0.892 3.047 358 HG21 THR 73 HG21 THR 73 -8.725 -3.628 0.866 359 HG22 THR 73 HG22 THR 73 -10.175 -3.009 0.066 360 HG23 THR 73 HG23 THR 73 -10.220 -3.387 1.792 361 H VAL 74 H VAL 74 -6.609 -2.961 -0.510 362 HA VAL 74 HA VAL 74 -8.249 -3.190 -2.991 363 HB VAL 74 HB VAL 74 -5.218 -2.952 -2.883 364 HG11 VAL 74 HG11 VAL 74 -7.011 -4.074 -5.059 365 HG12 VAL 74 HG12 VAL 74 -5.601 -4.844 -4.302 366 HG13 VAL 74 HG13 VAL 74 -5.372 -3.464 -5.362 367 HG21 VAL 74 HG21 VAL 74 -5.589 -1.257 -4.669 368 HG22 VAL 74 HG22 VAL 74 -6.357 -0.802 -3.146 369 HG23 VAL 74 HG23 VAL 74 -7.344 -1.452 -4.472 370 H TYR 75 H TYR 75 -8.897 -5.239 -3.249 371 HA TYR 75 HA TYR 75 -7.715 -7.393 -1.626 372 HB2 TYR 75 HB2 TYR 75 -10.115 -7.380 -3.483 373 HB3 TYR 75 HB3 TYR 75 -9.629 -8.677 -2.395 374 HD1 TYR 75 HD1 TYR 75 -9.635 -8.315 0.112 375 HD2 TYR 75 HD2 TYR 75 -11.356 -5.472 -2.641 376 HE1 TYR 75 HE1 TYR 75 -10.844 -7.219 1.988 377 HE2 TYR 75 HE2 TYR 75 -12.556 -4.372 -0.763 378 HH TYR 75 HH TYR 75 -12.792 -4.264 1.527 379 H LEU 76 H LEU 76 -6.135 -8.598 -2.342 380 HA LEU 76 HA LEU 76 -5.084 -8.345 -5.080 381 HB2 LEU 76 HB2 LEU 76 -4.154 -9.850 -2.593 382 HB3 LEU 76 HB3 LEU 76 -3.241 -9.762 -4.091 383 HG LEU 76 HG LEU 76 -4.006 -7.289 -2.466 384 HD11 LEU 76 HD11 LEU 76 -2.552 -8.758 -1.143 385 HD12 LEU 76 HD12 LEU 76 -1.691 -7.310 -1.690 386 HD13 LEU 76 HD13 LEU 76 -1.410 -8.867 -2.503 387 HD21 LEU 76 HD21 LEU 76 -1.991 -7.752 -4.705 388 HD22 LEU 76 HD22 LEU 76 -2.169 -6.247 -3.785 389 HD23 LEU 76 HD23 LEU 76 -3.485 -6.793 -4.830 390 H ASN 77 H ASN 77 -6.940 -10.640 -3.249 391 HA ASN 77 HA ASN 77 -6.513 -12.976 -4.867 392 HB2 ASN 77 HB2 ASN 77 -8.345 -13.903 -3.558 393 HB3 ASN 77 HB3 ASN 77 -7.257 -13.007 -2.510 394 HD21 ASN 77 HD21 ASN 77 -9.466 -13.429 -1.272 395 HD22 ASN 77 HD22 ASN 77 -10.572 -12.050 -1.354 396 H THR 78 H THR 78 -7.685 -10.227 -6.055 397 HA THR 78 HA THR 78 -8.989 -11.606 -8.237 398 HB THR 78 HB THR 78 -11.002 -11.090 -7.425 399 HG1 THR 78 HG1 THR 78 -11.789 -9.152 -8.303 400 HG21 THR 78 HG21 THR 78 -9.955 -8.432 -6.322 401 HG22 THR 78 HG22 THR 78 -10.417 -9.851 -5.365 402 HG23 THR 78 HG23 THR 78 -11.652 -8.955 -6.235 403 HA PRO 79 HA PRO 79 -6.386 -8.768 -10.614 404 HB2 PRO 79 HB2 PRO 79 -8.751 -8.829 -12.487 405 HB3 PRO 79 HB3 PRO 79 -7.014 -9.049 -12.858 406 HG2 PRO 79 HG2 PRO 79 -8.702 -11.187 -12.709 407 HG3 PRO 79 HG3 PRO 79 -7.041 -11.273 -12.030 408 HD2 PRO 79 HD2 PRO 79 -9.621 -10.944 -10.498 409 HD3 PRO 79 HD3 PRO 79 -8.122 -11.841 -10.134 410 H LEU 80 H LEU 80 -6.236 -6.490 -10.978 411 HA LEU 80 HA LEU 80 -7.868 -4.951 -9.318 412 HB2 LEU 80 HB2 LEU 80 -6.673 -3.139 -9.798 413 HB3 LEU 80 HB3 LEU 80 -5.517 -4.378 -10.236 414 HG LEU 80 HG LEU 80 -7.242 -2.771 -12.197 415 HD11 LEU 80 HD11 LEU 80 -5.234 -1.479 -12.671 416 HD12 LEU 80 HD12 LEU 80 -4.325 -2.392 -11.445 417 HD13 LEU 80 HD13 LEU 80 -5.669 -1.341 -10.958 418 HD21 LEU 80 HD21 LEU 80 -6.471 -4.923 -13.144 419 HD22 LEU 80 HD22 LEU 80 -4.801 -4.529 -12.681 420 HD23 LEU 80 HD23 LEU 80 -5.645 -3.551 -13.898 421 H ALA 81 H ALA 81 -9.561 -3.569 -9.471 422 HA ALA 81 HA ALA 81 -11.508 -3.907 -11.539 423 HB1 ALA 81 HB1 ALA 81 -11.182 -1.740 -9.425 424 HB2 ALA 81 HB2 ALA 81 -12.096 -3.261 -9.258 425 HB3 ALA 81 HB3 ALA 81 -12.624 -2.028 -10.418 426 H GLU 82 H GLU 82 -11.398 -3.131 -13.595 427 HA GLU 82 HA GLU 82 -9.223 -1.566 -14.481 428 HB2 GLU 82 HB2 GLU 82 -10.143 -1.626 -16.654 429 HB3 GLU 82 HB3 GLU 82 -10.467 -3.160 -15.860 430 HG2 GLU 82 HG2 GLU 82 -12.817 -2.273 -15.362 431 HG3 GLU 82 HG3 GLU 82 -12.434 -0.905 -16.418 432 H ASP 83 H ASP 83 -12.128 -0.275 -13.104 433 HA ASP 83 HA ASP 83 -12.077 2.362 -14.271 434 HB2 ASP 83 HB2 ASP 83 -13.170 1.152 -11.701 435 HB3 ASP 83 HB3 ASP 83 -13.331 2.850 -12.105 436 H ARG 84 H ARG 84 -10.127 0.796 -11.804 437 HA ARG 84 HA ARG 84 -9.150 3.083 -10.357 438 HB2 ARG 84 HB2 ARG 84 -7.925 0.354 -10.983 439 HB3 ARG 84 HB3 ARG 84 -7.152 1.539 -9.965 440 HG2 ARG 84 HG2 ARG 84 -9.105 1.553 -8.425 441 HG3 ARG 84 HG3 ARG 84 -9.869 0.302 -9.427 442 HD2 ARG 84 HD2 ARG 84 -7.852 -1.150 -9.033 443 HD3 ARG 84 HD3 ARG 84 -7.239 0.054 -7.889 444 HE ARG 84 HE ARG 84 -9.654 -0.337 -6.813 445 HH11 ARG 84 HH11 ARG 84 -7.151 -2.690 -7.554 446 HH12 ARG 84 HH12 ARG 84 -8.117 -4.022 -6.938 447 HH21 ARG 84 HH21 ARG 84 -10.805 -2.084 -6.053 448 HH22 ARG 84 HH22 ARG 84 -10.023 -3.632 -5.891 449 H LYS 85 H LYS 85 -8.537 1.989 -13.556 450 HA LYS 85 HA LYS 85 -5.913 3.214 -13.898 451 HB2 LYS 85 HB2 LYS 85 -7.943 2.189 -15.903 452 HB3 LYS 85 HB3 LYS 85 -6.317 2.745 -16.319 453 HG2 LYS 85 HG2 LYS 85 -5.300 1.041 -14.869 454 HG3 LYS 85 HG3 LYS 85 -6.895 0.451 -14.375 455 HD2 LYS 85 HD2 LYS 85 -7.386 -0.276 -16.648 456 HD3 LYS 85 HD3 LYS 85 -5.834 0.401 -17.223 457 HE2 LYS 85 HE2 LYS 85 -4.688 -1.136 -15.516 458 HE3 LYS 85 HE3 LYS 85 -6.271 -1.889 -15.256 459 HZ1 LYS 85 HZ1 LYS 85 -5.152 -3.174 -16.878 460 HZ2 LYS 85 HZ2 LYS 85 -4.702 -1.853 -17.768 461 HZ3 LYS 85 HZ3 LYS 85 -6.265 -2.292 -17.732 462 H ASN 86 H ASN 86 -8.993 4.560 -13.646 463 HA ASN 86 HA ASN 86 -8.039 7.140 -14.835 464 HB2 ASN 86 HB2 ASN 86 -10.829 5.911 -14.843 465 HB3 ASN 86 HB3 ASN 86 -10.452 7.532 -15.394 466 HD21 ASN 86 HD21 ASN 86 -11.639 5.264 -16.915 467 HD22 ASN 86 HD22 ASN 86 -10.535 5.013 -18.254 468 H VAL 87 H VAL 87 -8.762 5.720 -11.844 469 HA VAL 87 HA VAL 87 -10.055 8.095 -10.674 470 HB VAL 87 HB VAL 87 -10.449 5.671 -9.947 471 HG11 VAL 87 HG11 VAL 87 -9.056 4.658 -8.378 472 HG12 VAL 87 HG12 VAL 87 -8.005 6.085 -8.205 473 HG13 VAL 87 HG13 VAL 87 -7.979 5.144 -9.702 474 HG21 VAL 87 HG21 VAL 87 -9.791 7.686 -7.763 475 HG22 VAL 87 HG22 VAL 87 -10.852 6.275 -7.634 476 HG23 VAL 87 HG23 VAL 87 -11.308 7.615 -8.695 477 H GLU 88 H GLU 88 -9.090 9.516 -9.255 478 HA GLU 88 HA GLU 88 -6.216 10.023 -9.581 479 HB2 GLU 88 HB2 GLU 88 -8.460 11.352 -8.004 480 HB3 GLU 88 HB3 GLU 88 -6.810 11.963 -8.040 481 HG2 GLU 88 HG2 GLU 88 -8.547 11.586 -10.528 482 HG3 GLU 88 HG3 GLU 88 -8.376 13.106 -9.649 483 H LEU 89 H LEU 89 -4.740 10.342 -7.857 484 HA LEU 89 HA LEU 89 -5.173 8.693 -5.388 485 HB2 LEU 89 HB2 LEU 89 -2.693 9.477 -6.974 486 HB3 LEU 89 HB3 LEU 89 -2.587 8.903 -5.322 487 HG LEU 89 HG LEU 89 -3.688 7.320 -7.670 488 HD11 LEU 89 HD11 LEU 89 -1.659 5.957 -7.380 489 HD12 LEU 89 HD12 LEU 89 -1.124 7.002 -6.046 490 HD13 LEU 89 HD13 LEU 89 -1.215 7.640 -7.690 491 HD21 LEU 89 HD21 LEU 89 -3.556 5.394 -6.073 492 HD22 LEU 89 HD22 LEU 89 -4.790 6.566 -5.606 493 HD23 LEU 89 HD23 LEU 89 -3.227 6.530 -4.753 494 H LEU 90 H LEU 90 -5.573 9.861 -3.633 495 HA LEU 90 HA LEU 90 -5.746 12.633 -3.462 496 HB2 LEU 90 HB2 LEU 90 -5.533 10.404 -1.437 497 HB3 LEU 90 HB3 LEU 90 -5.517 12.061 -0.866 498 HG LEU 90 HG LEU 90 -7.743 11.020 -2.660 499 HD11 LEU 90 HD11 LEU 90 -7.588 11.142 0.384 500 HD12 LEU 90 HD12 LEU 90 -7.736 9.680 -0.628 501 HD13 LEU 90 HD13 LEU 90 -9.066 10.838 -0.554 502 HD21 LEU 90 HD21 LEU 90 -8.984 12.932 -1.680 503 HD22 LEU 90 HD22 LEU 90 -7.558 13.484 -2.563 504 HD23 LEU 90 HD23 LEU 90 -7.530 13.419 -0.787 505 H GLY 91 H GLY 91 -2.869 10.718 -2.844 506 HA2 GLY 91 HA2 GLY 91 -1.179 13.029 -3.174 507 HA3 GLY 91 HA3 GLY 91 -1.212 12.472 -1.502 508 H LYS 92 H LYS 92 1.138 12.356 -2.305 509 HA LYS 92 HA LYS 92 2.098 10.252 -3.890 510 HB2 LYS 92 HB2 LYS 92 3.137 12.439 -2.462 511 HB3 LYS 92 HB3 LYS 92 3.876 11.092 -1.689 512 HG2 LYS 92 HG2 LYS 92 5.328 11.793 -3.427 513 HG3 LYS 92 HG3 LYS 92 4.576 10.326 -4.072 514 HD2 LYS 92 HD2 LYS 92 3.023 11.673 -5.418 515 HD3 LYS 92 HD3 LYS 92 3.608 13.162 -4.648 516 HE2 LYS 92 HE2 LYS 92 5.881 12.717 -5.568 517 HE3 LYS 92 HE3 LYS 92 5.228 11.309 -6.436 518 HZ1 LYS 92 HZ1 LYS 92 5.313 13.309 -7.825 519 HZ2 LYS 92 HZ2 LYS 92 4.338 14.123 -6.798 520 HZ3 LYS 92 HZ3 LYS 92 3.745 12.814 -7.626 521 H MET 93 H MET 93 3.143 8.314 -3.492 522 HA MET 93 HA MET 93 1.849 6.460 -1.714 523 HB2 MET 93 HB2 MET 93 2.624 5.904 -3.989 524 HB3 MET 93 HB3 MET 93 4.302 6.164 -3.491 525 HG2 MET 93 HG2 MET 93 3.852 4.185 -1.840 526 HG3 MET 93 HG3 MET 93 2.444 3.882 -2.836 527 HE1 MET 93 HE1 MET 93 6.196 1.811 -3.445 528 HE2 MET 93 HE2 MET 93 4.819 1.758 -2.318 529 HE3 MET 93 HE3 MET 93 6.022 3.064 -2.195 530 H TYR 94 H TYR 94 2.590 7.940 0.285 531 HA TYR 94 HA TYR 94 5.197 7.728 1.313 532 HB2 TYR 94 HB2 TYR 94 3.692 9.241 2.357 533 HB3 TYR 94 HB3 TYR 94 2.502 8.007 2.640 534 HD1 TYR 94 HD1 TYR 94 6.049 8.872 3.555 535 HD2 TYR 94 HD2 TYR 94 2.367 6.983 4.770 536 HE1 TYR 94 HE1 TYR 94 7.036 8.386 5.783 537 HE2 TYR 94 HE2 TYR 94 3.343 6.534 7.009 538 HH TYR 94 HH TYR 94 6.715 7.418 7.826 539 H LYS 95 H LYS 95 2.488 5.404 1.985 540 HA LYS 95 HA LYS 95 4.462 3.252 2.389 541 HB2 LYS 95 HB2 LYS 95 4.153 4.663 4.571 542 HB3 LYS 95 HB3 LYS 95 2.575 3.915 4.674 543 HG2 LYS 95 HG2 LYS 95 3.559 2.212 5.774 544 HG3 LYS 95 HG3 LYS 95 4.343 1.740 4.283 545 HD2 LYS 95 HD2 LYS 95 6.038 1.905 5.945 546 HD3 LYS 95 HD3 LYS 95 6.259 3.284 4.856 547 HE2 LYS 95 HE2 LYS 95 5.124 4.767 6.471 548 HE3 LYS 95 HE3 LYS 95 4.759 3.394 7.520 549 HZ1 LYS 95 HZ1 LYS 95 7.498 4.347 6.873 550 HZ2 LYS 95 HZ2 LYS 95 7.141 3.110 7.902 551 HZ3 LYS 95 HZ3 LYS 95 6.685 4.627 8.283 552 H THR 96 H THR 96 3.501 1.124 2.596 553 HA THR 96 HA THR 96 0.547 0.833 2.255 554 HB THR 96 HB THR 96 2.559 -0.704 0.559 555 HG1 THR 96 HG1 THR 96 2.183 1.566 0.160 556 HG21 THR 96 HG21 THR 96 0.594 -1.397 -0.753 557 HG22 THR 96 HG22 THR 96 -0.482 -0.536 0.361 558 HG23 THR 96 HG23 THR 96 0.428 -1.958 0.900 559 H TYR 97 H TYR 97 -0.257 -1.057 3.080 560 HA TYR 97 HA TYR 97 1.617 -2.983 4.422 561 HB2 TYR 97 HB2 TYR 97 -1.041 -2.120 5.648 562 HB3 TYR 97 HB3 TYR 97 0.112 -3.231 6.268 563 HD1 TYR 97 HD1 TYR 97 -0.548 0.349 5.634 564 HD2 TYR 97 HD2 TYR 97 2.151 -2.555 7.332 565 HE1 TYR 97 HE1 TYR 97 0.685 2.170 6.810 566 HE2 TYR 97 HE2 TYR 97 3.369 -0.731 8.501 567 HH TYR 97 HH TYR 97 2.372 2.708 8.227 568 H PHE 98 H PHE 98 0.961 -5.130 4.502 569 HA PHE 98 HA PHE 98 -1.221 -5.947 2.598 570 HB2 PHE 98 HB2 PHE 98 1.636 -6.883 2.900 571 HB3 PHE 98 HB3 PHE 98 0.437 -7.747 1.969 572 HD1 PHE 98 HD1 PHE 98 2.185 -4.400 2.151 573 HD2 PHE 98 HD2 PHE 98 0.043 -7.258 -0.246 574 HE1 PHE 98 HE1 PHE 98 2.663 -3.062 0.108 575 HE2 PHE 98 HE2 PHE 98 0.614 -5.963 -2.299 576 HZ PHE 98 HZ PHE 98 1.955 -3.891 -2.108 577 H PHE 99 H PHE 99 -2.185 -7.996 2.892 578 HA PHE 99 HA PHE 99 -1.958 -9.171 5.642 579 HB2 PHE 99 HB2 PHE 99 -4.495 -8.266 4.255 580 HB3 PHE 99 HB3 PHE 99 -4.367 -8.962 5.857 581 HD1 PHE 99 HD1 PHE 99 -3.665 -5.978 3.785 582 HD2 PHE 99 HD2 PHE 99 -3.666 -7.556 7.793 583 HE1 PHE 99 HE1 PHE 99 -3.272 -3.725 4.662 584 HE2 PHE 99 HE2 PHE 99 -3.312 -5.257 8.679 585 HZ PHE 99 HZ PHE 99 -3.066 -3.342 7.119 586 H LYS 100 H LYS 100 -2.129 -11.310 5.720 587 HA LYS 100 HA LYS 100 -2.746 -12.957 3.317 588 HB2 LYS 100 HB2 LYS 100 -2.022 -13.861 6.130 589 HB3 LYS 100 HB3 LYS 100 -2.181 -14.863 4.686 590 HG2 LYS 100 HG2 LYS 100 0.086 -14.708 5.038 591 HG3 LYS 100 HG3 LYS 100 -0.266 -13.686 3.641 592 HD2 LYS 100 HD2 LYS 100 0.101 -11.700 4.847 593 HD3 LYS 100 HD3 LYS 100 -0.013 -12.503 6.419 594 HE2 LYS 100 HE2 LYS 100 2.214 -13.140 4.466 595 HE3 LYS 100 HE3 LYS 100 2.285 -11.743 5.557 596 HZ1 LYS 100 HZ1 LYS 100 2.002 -14.567 6.423 597 HZ2 LYS 100 HZ2 LYS 100 1.961 -13.273 7.437 598 HZ3 LYS 100 HZ3 LYS 100 3.323 -13.638 6.604 599 H LYS 101 H LYS 101 -4.213 -14.981 3.970 600 HA LYS 101 HA LYS 101 -6.830 -14.007 3.876 601 HB2 LYS 101 HB2 LYS 101 -5.820 -16.733 4.707 602 HB3 LYS 101 HB3 LYS 101 -7.531 -16.330 4.573 603 HG2 LYS 101 HG2 LYS 101 -7.018 -15.548 2.156 604 HG3 LYS 101 HG3 LYS 101 -5.457 -16.334 2.349 605 HD2 LYS 101 HD2 LYS 101 -6.852 -17.930 1.270 606 HD3 LYS 101 HD3 LYS 101 -6.751 -18.472 2.955 607 HE2 LYS 101 HE2 LYS 101 -8.949 -17.253 3.379 608 HE3 LYS 101 HE3 LYS 101 -9.026 -16.888 1.654 609 HZ1 LYS 101 HZ1 LYS 101 -10.312 -18.849 2.185 610 HZ2 LYS 101 HZ2 LYS 101 -9.016 -19.599 2.866 611 HZ3 LYS 101 HZ3 LYS 101 -9.042 -19.317 1.243 612 H GLY 102 H GLY 102 -8.120 -13.022 5.170 613 HA2 GLY 102 HA2 GLY 102 -9.404 -12.499 6.955 614 HA3 GLY 102 HA3 GLY 102 -8.838 -13.965 7.744 615 H GLU 103 H GLU 103 -6.094 -11.969 7.252 616 HA GLU 103 HA GLU 103 -5.748 -11.582 10.066 617 HB2 GLU 103 HB2 GLU 103 -4.334 -10.266 7.715 618 HB3 GLU 103 HB3 GLU 103 -3.806 -10.159 9.394 619 HG2 GLU 103 HG2 GLU 103 -3.607 -12.665 9.440 620 HG3 GLU 103 HG3 GLU 103 -3.908 -12.672 7.697 621 H SER 104 H SER 104 -5.424 -9.652 11.292 622 HA SER 104 HA SER 104 -6.668 -7.114 10.288 623 HB2 SER 104 HB2 SER 104 -7.481 -6.645 12.518 624 HB3 SER 104 HB3 SER 104 -8.296 -7.989 11.787 625 HG SER 104 HG SER 104 -7.052 -9.425 13.018 626 H LYS 105 H LYS 105 -3.749 -8.410 11.184 627 HA LYS 105 HA LYS 105 -2.783 -5.618 11.277 628 HB2 LYS 105 HB2 LYS 105 -2.734 -6.399 13.619 629 HB3 LYS 105 HB3 LYS 105 -1.670 -7.741 13.155 630 HG2 LYS 105 HG2 LYS 105 0.126 -6.278 12.643 631 HG3 LYS 105 HG3 LYS 105 -0.881 -4.849 12.619 632 HD2 LYS 105 HD2 LYS 105 0.102 -4.630 14.712 633 HD3 LYS 105 HD3 LYS 105 -1.378 -5.462 15.170 634 HE2 LYS 105 HE2 LYS 105 -0.206 -7.623 15.160 635 HE3 LYS 105 HE3 LYS 105 1.251 -6.843 14.519 636 HZ1 LYS 105 HZ1 LYS 105 1.453 -7.160 16.881 637 HZ2 LYS 105 HZ2 LYS 105 0.084 -6.337 17.206 638 HZ3 LYS 105 HZ3 LYS 105 1.397 -5.548 16.575 639 H SER 106 H SER 106 -1.081 -5.277 9.991 640 HA SER 106 HA SER 106 -0.532 -7.314 8.003 641 HB2 SER 106 HB2 SER 106 -0.649 -4.899 7.526 642 HB3 SER 106 HB3 SER 106 0.843 -4.634 8.439 643 HG SER 106 HG SER 106 0.517 -6.280 6.153 644 H SER 107 H SER 107 1.426 -8.282 7.431 645 HA SER 107 HA SER 107 3.827 -8.076 9.195 646 HB2 SER 107 HB2 SER 107 2.656 -10.547 7.885 647 HB3 SER 107 HB3 SER 107 4.269 -10.466 8.605 648 HG SER 107 HG SER 107 3.434 -10.168 10.583 649 H TYR 108 H TYR 108 2.782 -7.019 6.293 650 HA TYR 108 HA TYR 108 5.531 -7.010 5.365 651 HB2 TYR 108 HB2 TYR 108 4.526 -8.974 4.156 652 HB3 TYR 108 HB3 TYR 108 3.456 -7.869 3.326 653 HD1 TYR 108 HD1 TYR 108 6.923 -8.790 3.947 654 HD2 TYR 108 HD2 TYR 108 4.360 -6.508 1.385 655 HE1 TYR 108 HE1 TYR 108 8.788 -8.606 2.271 656 HE2 TYR 108 HE2 TYR 108 6.271 -6.271 -0.261 657 HH TYR 108 HH TYR 108 8.451 -6.816 -0.775 658 H VAL 109 H VAL 109 6.082 -5.096 4.648 659 HA VAL 109 HA VAL 109 4.039 -3.128 3.785 660 HB VAL 109 HB VAL 109 3.897 -2.646 5.907 661 HG11 VAL 109 HG11 VAL 109 6.634 -3.636 6.377 662 HG12 VAL 109 HG12 VAL 109 5.107 -4.184 7.074 663 HG13 VAL 109 HG13 VAL 109 5.817 -2.664 7.630 664 HG21 VAL 109 HG21 VAL 109 4.630 -0.535 5.071 665 HG22 VAL 109 HG22 VAL 109 6.311 -0.935 5.523 666 HG23 VAL 109 HG23 VAL 109 5.056 -0.771 6.761 667 H ILE 110 H ILE 110 4.819 -1.222 2.916 668 HA ILE 110 HA ILE 110 7.528 -1.438 1.661 669 HB ILE 110 HB ILE 110 4.917 -1.055 0.208 670 HG12 ILE 110 HG12 ILE 110 6.292 -3.648 0.862 671 HG13 ILE 110 HG13 ILE 110 4.614 -3.253 0.941 672 HG21 ILE 110 HG21 ILE 110 7.625 -1.914 -0.870 673 HG22 ILE 110 HG22 ILE 110 7.067 -0.225 -0.887 674 HG23 ILE 110 HG23 ILE 110 6.209 -1.433 -1.826 675 HD11 ILE 110 HD11 ILE 110 4.828 -4.787 -0.822 676 HD12 ILE 110 HD12 ILE 110 6.290 -4.012 -1.450 677 HD13 ILE 110 HD13 ILE 110 4.688 -3.234 -1.664 678 H ASN 111 H ASN 111 8.424 0.488 1.115 679 HA ASN 111 HA ASN 111 7.121 2.917 2.256 680 HB2 ASN 111 HB2 ASN 111 10.070 2.456 1.725 681 HB3 ASN 111 HB3 ASN 111 9.345 3.617 2.822 682 HD21 ASN 111 HD21 ASN 111 8.916 2.898 4.987 683 HD22 ASN 111 HD22 ASN 111 9.597 1.386 5.524 684 H GLY 112 H GLY 112 7.427 4.999 1.176 685 HA2 GLY 112 HA2 GLY 112 8.792 5.166 -1.387 686 HA3 GLY 112 HA3 GLY 112 7.040 5.086 -1.555 687 HA PRO 113 HA PRO 113 8.478 9.528 -1.084 688 HB2 PRO 113 HB2 PRO 113 7.245 10.595 -3.248 689 HB3 PRO 113 HB3 PRO 113 8.771 9.678 -3.399 690 HG2 PRO 113 HG2 PRO 113 5.946 8.598 -3.773 691 HG3 PRO 113 HG3 PRO 113 7.301 8.510 -4.921 692 HD2 PRO 113 HD2 PRO 113 6.729 6.480 -3.202 693 HD3 PRO 113 HD3 PRO 113 8.437 6.909 -3.524 694 H GLY 114 H GLY 114 7.453 10.823 0.159 695 HA2 GLY 114 HA2 GLY 114 5.137 12.080 0.278 696 HA3 GLY 114 HA3 GLY 114 4.634 10.514 0.917 697 H LYS 115 H LYS 115 4.728 13.028 2.332 698 HA LYS 115 HA LYS 115 6.960 12.670 4.313 699 HB2 LYS 115 HB2 LYS 115 7.151 14.397 2.531 700 HB3 LYS 115 HB3 LYS 115 5.714 15.199 3.181 701 HG2 LYS 115 HG2 LYS 115 6.862 15.747 5.253 702 HG3 LYS 115 HG3 LYS 115 8.231 14.713 4.820 703 HD2 LYS 115 HD2 LYS 115 8.862 17.022 4.429 704 HD3 LYS 115 HD3 LYS 115 8.768 16.163 2.905 705 HE2 LYS 115 HE2 LYS 115 7.823 18.278 2.497 706 HE3 LYS 115 HE3 LYS 115 6.456 17.166 2.543 707 HZ1 LYS 115 HZ1 LYS 115 6.165 19.296 3.799 708 HZ2 LYS 115 HZ2 LYS 115 7.320 18.813 4.861 709 HZ3 LYS 115 HZ3 LYS 115 5.929 17.976 4.758 710 H THR 116 H THR 116 3.500 13.366 4.020 711 HA THR 116 HA THR 116 3.186 12.522 6.779 712 HB THR 116 HB THR 116 3.496 14.881 7.234 713 HG1 THR 116 HG1 THR 116 2.039 14.193 8.566 714 HG21 THR 116 HG21 THR 116 1.161 15.444 5.353 715 HG22 THR 116 HG22 THR 116 2.860 15.856 5.029 716 HG23 THR 116 HG23 THR 116 2.008 16.609 6.388 717 H ASN 117 H ASN 117 1.184 11.545 7.090 718 HA ASN 117 HA ASN 117 -0.623 11.323 4.755 719 HB2 ASN 117 HB2 ASN 117 -0.760 10.077 7.530 720 HB3 ASN 117 HB3 ASN 117 -1.889 9.780 6.214 721 HD21 ASN 117 HD21 ASN 117 -0.794 9.137 4.068 722 HD22 ASN 117 HD22 ASN 117 0.532 7.997 4.217 723 H GLU 118 H GLU 118 -0.293 13.442 7.523 724 HA GLU 118 HA GLU 118 -3.055 13.871 8.073 725 HB2 GLU 118 HB2 GLU 118 -0.730 15.807 8.457 726 HB3 GLU 118 HB3 GLU 118 -2.332 15.925 9.176 727 HG2 GLU 118 HG2 GLU 118 -1.885 13.725 10.362 728 HG3 GLU 118 HG3 GLU 118 -0.224 13.825 9.785 729 H TYR 119 H TYR 119 -1.263 14.950 5.493 730 HA TYR 119 HA TYR 119 -2.126 15.849 3.562 731 HB2 TYR 119 HB2 TYR 119 -3.619 17.486 3.243 732 HB3 TYR 119 HB3 TYR 119 -4.287 16.571 4.552 733 HD1 TYR 119 HD1 TYR 119 -2.332 18.259 6.656 734 HD2 TYR 119 HD2 TYR 119 -5.239 19.198 3.613 735 HE1 TYR 119 HE1 TYR 119 -2.747 20.447 7.732 736 HE2 TYR 119 HE2 TYR 119 -5.681 21.376 4.708 737 HH TYR 119 HH TYR 119 -3.783 22.481 7.532 738 H ALA 120 H ALA 120 -0.995 17.132 2.258 739 HA ALA 120 HA ALA 120 1.617 17.784 3.221 740 HB1 ALA 120 HB1 ALA 120 1.151 16.594 1.135 741 HB2 ALA 120 HB2 ALA 120 2.044 18.081 0.794 742 HB3 ALA 120 HB3 ALA 120 0.299 18.016 0.482 743 H TYR 121 H TYR 121 0.378 19.593 4.663 744 HA TYR 121 HA TYR 121 1.100 22.209 3.512 745 HB2 TYR 121 HB2 TYR 121 -1.312 21.694 2.929 746 HB3 TYR 121 HB3 TYR 121 -1.657 21.578 4.642 747 HD1 TYR 121 HD1 TYR 121 0.509 24.202 2.977 748 HD2 TYR 121 HD2 TYR 121 -3.316 23.275 4.744 749 HE1 TYR 121 HE1 TYR 121 -0.050 26.625 3.065 750 HE2 TYR 121 HE2 TYR 121 -3.861 25.695 4.839 751 HH TYR 121 HH TYR 121 -3.154 27.832 4.322 752 H1 ACE 6 H1 ACE 6 14.546 4.856 -2.392 753 H2 ACE 6 H2 ACE 6 13.519 4.374 -1.039 754 H3 ACE 6 H3 ACE 6 13.902 6.090 -1.291 755 H THR 7 H THR 7 13.499 6.500 -3.894 756 HA THR 7 HA THR 7 10.642 6.685 -4.137 757 HB THR 7 HB THR 7 12.424 8.302 -4.958 758 HG1 THR 7 HG1 THR 7 11.206 9.096 -6.473 759 HG21 THR 7 HG21 THR 7 12.485 6.437 -7.362 760 HG22 THR 7 HG22 THR 7 13.810 6.670 -6.216 761 HG23 THR 7 HG23 THR 7 13.272 8.018 -7.217 762 H THR 8 H THR 8 12.652 4.266 -4.903 763 HA THR 8 HA THR 8 10.472 2.645 -5.746 764 HB THR 8 HB THR 8 10.983 3.319 -7.952 765 HG1 THR 8 HG1 THR 8 10.449 1.063 -7.521 766 HG21 THR 8 HG21 THR 8 13.715 2.057 -7.813 767 HG22 THR 8 HG22 THR 8 13.421 3.823 -7.730 768 HG23 THR 8 HG23 THR 8 12.949 2.910 -9.163 769 HA PRO 9 HA PRO 9 13.839 -0.415 -4.751 770 HB2 PRO 9 HB2 PRO 9 16.347 0.087 -3.988 771 HB3 PRO 9 HB3 PRO 9 15.713 0.390 -5.643 772 HG2 PRO 9 HG2 PRO 9 15.894 2.413 -3.362 773 HG3 PRO 9 HG3 PRO 9 16.675 2.551 -4.979 774 HD2 PRO 9 HD2 PRO 9 14.254 3.627 -4.460 775 HD3 PRO 9 HD3 PRO 9 14.624 2.871 -6.041 776 H ASP 10 H ASP 10 12.055 0.173 -3.199 777 HA ASP 10 HA ASP 10 12.907 -0.961 -0.590 778 HB2 ASP 10 HB2 ASP 10 11.245 1.531 -0.933 779 HB3 ASP 10 HB3 ASP 10 10.629 0.332 0.202 780 HN2 TYS 11 HN2 TYS 11 12.487 -2.970 -1.625 781 HA TYS 11 HA TYS 11 10.003 -3.272 -3.156 782 HB2 TYS 11 HB2 TYS 11 12.604 -4.764 -3.109 783 HB3 TYS 11 HB3 TYS 11 11.178 -5.746 -3.376 784 HD1 TYS 11 HD1 TYS 11 9.478 -5.146 -4.982 785 HD2 TYS 11 HD2 TYS 11 13.078 -2.839 -4.681 786 HE1 TYS 11 HE1 TYS 11 8.821 -3.989 -6.890 787 HE2 TYS 11 HE2 TYS 11 12.311 -1.475 -6.571 788 H GLY 12 H GLY 12 10.163 -3.031 -0.456 789 HA2 GLY 12 HA2 GLY 12 8.469 -3.334 1.068 790 HA3 GLY 12 HA3 GLY 12 7.994 -4.833 0.250 791 H HIS 13 H HIS 13 8.177 -4.785 3.079 792 HA HIS 13 HA HIS 13 10.328 -6.756 3.570 793 HB2 HIS 13 HB2 HIS 13 11.064 -5.530 5.554 794 HB3 HIS 13 HB3 HIS 13 11.486 -4.704 4.053 795 HD1 HIS 13 HD1 HIS 13 10.206 -2.411 3.454 796 HD2 HIS 13 HD2 HIS 13 9.000 -4.272 7.062 797 HE1 HIS 13 HE1 HIS 13 8.416 -0.895 4.591 798 HE2 HIS 13 HE2 HIS 13 8.137 -1.773 6.967 799 HN2 TYS 14 HN2 TYS 14 10.051 -8.048 5.337 800 HA TYS 14 HA TYS 14 7.319 -8.109 6.374 801 HB2 TYS 14 HB2 TYS 14 9.642 -10.071 6.601 802 HB3 TYS 14 HB3 TYS 14 8.149 -10.280 7.477 803 HD1 TYS 14 HD1 TYS 14 9.520 -10.153 3.923 804 HD2 TYS 14 HD2 TYS 14 6.088 -10.986 6.431 805 HE1 TYS 14 HE1 TYS 14 8.587 -11.532 2.225 806 HE2 TYS 14 HE2 TYS 14 5.136 -12.319 4.657 807 H ASP 15 H ASP 15 6.802 -6.821 7.907 808 HA ASP 15 HA ASP 15 8.785 -5.973 9.912 809 HB2 ASP 15 HB2 ASP 15 7.480 -4.180 10.257 810 HB3 ASP 15 HB3 ASP 15 6.964 -4.548 8.643 811 H ASP 16 H ASP 16 8.090 -5.791 12.238 812 HA ASP 16 HA ASP 16 6.053 -7.721 13.135 813 HB2 ASP 16 HB2 ASP 16 8.943 -7.829 14.054 814 HB3 ASP 16 HB3 ASP 16 7.643 -8.509 15.020 815 H LYS 17 H LYS 17 6.300 -4.786 13.013 816 HA LYS 17 HA LYS 17 5.196 -4.038 15.514 817 HB2 LYS 17 HB2 LYS 17 6.923 -2.475 16.387 818 HB3 LYS 17 HB3 LYS 17 7.384 -4.163 16.524 819 HG2 LYS 17 HG2 LYS 17 8.853 -3.952 14.545 820 HG3 LYS 17 HG3 LYS 17 8.375 -2.249 14.386 821 HD2 LYS 17 HD2 LYS 17 9.394 -1.715 16.547 822 HD3 LYS 17 HD3 LYS 17 9.768 -3.426 16.813 823 HE2 LYS 17 HE2 LYS 17 11.771 -2.303 16.066 824 HE3 LYS 17 HE3 LYS 17 11.242 -3.446 14.831 825 HZ1 LYS 17 HZ1 LYS 17 10.770 -0.516 14.767 826 HZ2 LYS 17 HZ2 LYS 17 10.321 -1.557 13.569 827 HZ3 LYS 17 HZ3 LYS 17 11.916 -1.314 13.910 828 H ASP 18 H ASP 18 6.828 -2.951 12.585 829 HA ASP 18 HA ASP 18 5.850 -0.219 12.784 830 HB2 ASP 18 HB2 ASP 18 7.254 -1.714 10.534 831 HB3 ASP 18 HB3 ASP 18 6.959 0.028 10.585 832 H THR 19 H THR 19 4.440 -3.069 11.657 833 HA THR 19 HA THR 19 2.711 -2.785 9.670 834 HB THR 19 HB THR 19 2.847 -4.731 11.137 835 HG1 THR 19 HG1 THR 19 1.191 -5.233 10.434 836 HG21 THR 19 HG21 THR 19 1.282 -3.243 13.226 837 HG22 THR 19 HG22 THR 19 3.036 -3.574 13.319 838 HG23 THR 19 HG23 THR 19 1.933 -4.913 13.264 839 H LEU 20 H LEU 20 0.313 -2.576 9.619 840 HA LEU 20 HA LEU 20 -0.850 -0.369 11.224 841 HB2 LEU 20 HB2 LEU 20 -0.999 0.301 8.898 842 HB3 LEU 20 HB3 LEU 20 -1.431 -1.346 8.403 843 HG LEU 20 HG LEU 20 -3.602 -1.132 9.504 844 HD11 LEU 20 HD11 LEU 20 -2.765 1.747 10.061 845 HD12 LEU 20 HD12 LEU 20 -3.114 0.505 11.283 846 HD13 LEU 20 HD13 LEU 20 -4.411 1.093 10.236 847 HD21 LEU 20 HD21 LEU 20 -2.957 1.202 7.647 848 HD22 LEU 20 HD22 LEU 20 -4.514 0.349 7.791 849 HD23 LEU 20 HD23 LEU 20 -3.086 -0.494 7.166 850 H ASP 21 H ASP 21 -1.873 -1.256 12.823 851 HA ASP 21 HA ASP 21 -3.287 -3.818 12.745 852 HB2 ASP 21 HB2 ASP 21 -3.994 -3.187 15.018 853 HB3 ASP 21 HB3 ASP 21 -2.250 -3.255 14.819 854 H LEU 22 H LEU 22 -5.067 -3.958 11.711 855 HA LEU 22 HA LEU 22 -6.601 -1.708 10.729 856 HB2 LEU 22 HB2 LEU 22 -5.904 -4.371 9.964 857 HB3 LEU 22 HB3 LEU 22 -7.645 -4.422 10.215 858 HG LEU 22 HG LEU 22 -7.885 -2.611 8.530 859 HD11 LEU 22 HD11 LEU 22 -5.827 -1.365 8.797 860 HD12 LEU 22 HD12 LEU 22 -5.782 -2.074 7.180 861 HD13 LEU 22 HD13 LEU 22 -4.840 -2.814 8.510 862 HD21 LEU 22 HD21 LEU 22 -6.022 -4.899 7.718 863 HD22 LEU 22 HD22 LEU 22 -6.983 -3.923 6.599 864 HD23 LEU 22 HD23 LEU 22 -7.802 -4.978 7.777 865 H ASN 23 H ASN 23 -6.898 -3.573 13.536 866 HA ASN 23 HA ASN 23 -9.755 -3.748 13.756 867 HB2 ASN 23 HB2 ASN 23 -7.605 -3.831 15.897 868 HB3 ASN 23 HB3 ASN 23 -9.282 -4.335 16.089 869 HD21 ASN 23 HD21 ASN 23 -6.187 -5.434 15.334 870 HD22 ASN 23 HD22 ASN 23 -6.695 -6.967 14.615 871 H THR 24 H THR 24 -8.147 -0.881 13.601 872 HA THR 24 HA THR 24 -10.473 0.456 14.689 873 HB THR 24 HB THR 24 -8.942 0.271 16.653 874 HG1 THR 24 HG1 THR 24 -9.554 2.088 17.366 875 HG21 THR 24 HG21 THR 24 -7.057 1.738 16.910 876 HG22 THR 24 HG22 THR 24 -7.277 2.418 15.286 877 HG23 THR 24 HG23 THR 24 -6.766 0.722 15.489 878 HA PRO 25 HA PRO 25 -9.263 2.875 11.081 879 HB2 PRO 25 HB2 PRO 25 -11.295 4.649 10.950 880 HB3 PRO 25 HB3 PRO 25 -11.599 2.895 10.753 881 HG2 PRO 25 HG2 PRO 25 -11.909 4.546 13.289 882 HG3 PRO 25 HG3 PRO 25 -13.088 3.457 12.555 883 HD2 PRO 25 HD2 PRO 25 -11.425 2.667 14.565 884 HD3 PRO 25 HD3 PRO 25 -11.903 1.546 13.257 885 H VAL 26 H VAL 26 -7.704 4.436 10.917 886 HA VAL 26 HA VAL 26 -8.178 7.094 11.785 887 HB VAL 26 HB VAL 26 -7.477 6.161 13.980 888 HG11 VAL 26 HG11 VAL 26 -5.795 4.503 13.214 889 HG12 VAL 26 HG12 VAL 26 -5.176 5.593 14.462 890 HG13 VAL 26 HG13 VAL 26 -4.704 5.835 12.772 891 HG21 VAL 26 HG21 VAL 26 -5.484 8.215 12.962 892 HG22 VAL 26 HG22 VAL 26 -6.030 7.950 14.622 893 HG23 VAL 26 HG23 VAL 26 -7.173 8.565 13.421 894 H ASP 27 H ASP 27 -6.843 8.559 10.787 895 HA ASP 27 HA ASP 27 -4.351 7.715 9.406 896 HB2 ASP 27 HB2 ASP 27 -5.157 8.945 7.300 897 HB3 ASP 27 HB3 ASP 27 -5.771 7.328 7.616 898 H LYS 28 H LYS 28 -6.199 10.190 10.938 899 HA LYS 28 HA LYS 28 -3.798 11.918 11.133 900 HB2 LYS 28 HB2 LYS 28 -5.251 12.758 9.309 901 HB3 LYS 28 HB3 LYS 28 -6.616 12.869 10.428 902 HG2 LYS 28 HG2 LYS 28 -5.464 14.599 11.734 903 HG3 LYS 28 HG3 LYS 28 -3.988 14.379 10.783 904 HD2 LYS 28 HD2 LYS 28 -5.246 15.023 8.726 905 HD3 LYS 28 HD3 LYS 28 -6.663 15.386 9.724 906 HE2 LYS 28 HE2 LYS 28 -5.558 17.196 10.824 907 HE3 LYS 28 HE3 LYS 28 -3.971 16.706 10.231 908 HZ1 LYS 28 HZ1 LYS 28 -6.165 17.627 8.464 909 HZ2 LYS 28 HZ2 LYS 28 -4.950 18.584 8.999 910 HZ3 LYS 28 HZ3 LYS 28 -4.617 17.296 8.001 911 HN1 NH2 29 HN1 NH2 29 -7.199 11.399 12.317 912 HN2 NH2 29 HN2 NH2 29 -6.759 11.609 13.996 Start of MODEL 19 1 H1 ASN 31 H1 ASN 31 9.292 20.333 -16.309 2 H2 ASN 31 H2 ASN 31 9.402 19.361 -14.982 3 H3 ASN 31 H3 ASN 31 8.311 19.031 -16.183 4 HA ASN 31 HA ASN 31 8.273 21.225 -14.245 5 HB2 ASN 31 HB2 ASN 31 6.629 20.925 -16.788 6 HB3 ASN 31 HB3 ASN 31 6.211 22.034 -15.475 7 HD21 ASN 31 HD21 ASN 31 6.653 23.117 -17.953 8 HD22 ASN 31 HD22 ASN 31 8.156 24.042 -17.891 9 H SER 32 H SER 32 5.271 20.951 -14.280 10 HA SER 32 HA SER 32 5.072 19.248 -12.022 11 HB2 SER 32 HB2 SER 32 3.734 21.264 -12.439 12 HB3 SER 32 HB3 SER 32 2.957 20.482 -13.828 13 HG SER 32 HG SER 32 1.645 20.328 -12.034 14 H GLY 33 H GLY 33 3.982 17.278 -11.667 15 HA2 GLY 33 HA2 GLY 33 2.155 16.066 -13.283 16 HA3 GLY 33 HA3 GLY 33 3.655 15.364 -13.866 17 H LEU 34 H LEU 34 1.643 13.807 -12.875 18 HA LEU 34 HA LEU 34 2.919 12.397 -10.616 19 HB2 LEU 34 HB2 LEU 34 0.089 13.522 -10.671 20 HB3 LEU 34 HB3 LEU 34 0.466 12.117 -9.712 21 HG LEU 34 HG LEU 34 1.772 14.836 -9.319 22 HD11 LEU 34 HD11 LEU 34 -0.621 14.831 -8.746 23 HD12 LEU 34 HD12 LEU 34 0.385 14.946 -7.297 24 HD13 LEU 34 HD13 LEU 34 -0.387 13.401 -7.718 25 HD21 LEU 34 HD21 LEU 34 3.236 12.998 -8.543 26 HD22 LEU 34 HD22 LEU 34 1.881 12.271 -7.653 27 HD23 LEU 34 HD23 LEU 34 2.537 13.848 -7.169 28 HA PRO 35 HA PRO 35 1.382 8.837 -12.971 29 HB2 PRO 35 HB2 PRO 35 0.830 7.044 -10.930 30 HB3 PRO 35 HB3 PRO 35 2.454 7.315 -11.649 31 HG2 PRO 35 HG2 PRO 35 1.326 8.390 -9.078 32 HG3 PRO 35 HG3 PRO 35 2.995 7.867 -9.425 33 HD2 PRO 35 HD2 PRO 35 2.228 10.516 -9.353 34 HD3 PRO 35 HD3 PRO 35 3.539 9.932 -10.399 35 H THR 36 H THR 36 -0.371 9.998 -10.113 36 HA THR 36 HA THR 36 -2.450 10.549 -9.695 37 HB THR 36 HB THR 36 -1.672 11.971 -11.566 38 HG1 THR 36 HG1 THR 36 -3.466 13.123 -11.478 39 HG21 THR 36 HG21 THR 36 -3.120 12.120 -13.560 40 HG22 THR 36 HG22 THR 36 -3.912 10.598 -13.108 41 HG23 THR 36 HG23 THR 36 -2.189 10.626 -13.556 42 H THR 37 H THR 37 -2.385 7.648 -11.531 43 HA THR 37 HA THR 37 -5.184 7.154 -10.578 44 HB THR 37 HB THR 37 -5.538 5.658 -12.499 45 HG1 THR 37 HG1 THR 37 -3.834 5.187 -13.561 46 HG21 THR 37 HG21 THR 37 -6.079 7.356 -14.129 47 HG22 THR 37 HG22 THR 37 -4.960 8.508 -13.374 48 HG23 THR 37 HG23 THR 37 -6.420 7.988 -12.505 49 H LEU 38 H LEU 38 -5.515 5.386 -9.394 50 HA LEU 38 HA LEU 38 -3.345 4.202 -8.169 51 HB2 LEU 38 HB2 LEU 38 -5.647 4.605 -7.285 52 HB3 LEU 38 HB3 LEU 38 -6.226 3.324 -8.372 53 HG LEU 38 HG LEU 38 -4.827 1.716 -7.202 54 HD11 LEU 38 HD11 LEU 38 -4.006 2.236 -4.926 55 HD12 LEU 38 HD12 LEU 38 -4.387 3.946 -5.182 56 HD13 LEU 38 HD13 LEU 38 -3.134 3.131 -6.166 57 HD21 LEU 38 HD21 LEU 38 -6.269 1.485 -5.219 58 HD22 LEU 38 HD22 LEU 38 -7.209 1.955 -6.643 59 HD23 LEU 38 HD23 LEU 38 -6.798 3.172 -5.411 60 H GLY 39 H GLY 39 -5.211 2.836 -10.903 61 HA2 GLY 39 HA2 GLY 39 -4.403 0.193 -10.886 62 HA3 GLY 39 HA3 GLY 39 -4.584 1.140 -12.356 63 H LYS 40 H LYS 40 -2.366 2.930 -12.042 64 HA LYS 40 HA LYS 40 -0.141 1.311 -12.922 65 HB2 LYS 40 HB2 LYS 40 -0.256 4.238 -12.028 66 HB3 LYS 40 HB3 LYS 40 1.149 3.443 -12.747 67 HG2 LYS 40 HG2 LYS 40 -0.440 2.821 -14.707 68 HG3 LYS 40 HG3 LYS 40 -1.519 4.064 -14.055 69 HD2 LYS 40 HD2 LYS 40 0.219 5.776 -14.337 70 HD3 LYS 40 HD3 LYS 40 1.410 4.527 -14.770 71 HE2 LYS 40 HE2 LYS 40 -0.048 3.882 -16.719 72 HE3 LYS 40 HE3 LYS 40 -1.079 5.276 -16.360 73 HZ1 LYS 40 HZ1 LYS 40 0.814 6.713 -16.742 74 HZ2 LYS 40 HZ2 LYS 40 1.814 5.413 -17.019 75 HZ3 LYS 40 HZ3 LYS 40 0.564 5.744 -18.052 76 H LEU 41 H LEU 41 -0.937 2.705 -9.762 77 HA LEU 41 HA LEU 41 1.621 1.951 -8.565 78 HB2 LEU 41 HB2 LEU 41 0.327 3.874 -7.725 79 HB3 LEU 41 HB3 LEU 41 -1.017 2.803 -7.319 80 HG LEU 41 HG LEU 41 0.428 1.612 -5.686 81 HD11 LEU 41 HD11 LEU 41 2.550 2.649 -4.939 82 HD12 LEU 41 HD12 LEU 41 2.478 3.785 -6.302 83 HD13 LEU 41 HD13 LEU 41 2.682 2.039 -6.585 84 HD21 LEU 41 HD21 LEU 41 -1.000 3.459 -4.983 85 HD22 LEU 41 HD22 LEU 41 0.331 4.608 -5.267 86 HD23 LEU 41 HD23 LEU 41 0.479 3.353 -4.004 87 H ASP 42 H ASP 42 -1.677 0.511 -8.674 88 HA ASP 42 HA ASP 42 -1.167 -1.771 -7.039 89 HB2 ASP 42 HB2 ASP 42 -3.404 -1.218 -7.703 90 HB3 ASP 42 HB3 ASP 42 -2.997 -1.243 -9.413 91 H GLU 43 H GLU 43 -0.413 -1.282 -10.480 92 HA GLU 43 HA GLU 43 0.572 -3.964 -10.947 93 HB2 GLU 43 HB2 GLU 43 -0.097 -2.285 -12.710 94 HB3 GLU 43 HB3 GLU 43 1.314 -1.327 -12.298 95 HG2 GLU 43 HG2 GLU 43 1.825 -2.515 -14.269 96 HG3 GLU 43 HG3 GLU 43 2.733 -3.282 -12.974 97 H ARG 44 H ARG 44 2.220 -0.900 -10.026 98 HA ARG 44 HA ARG 44 4.848 -1.968 -9.717 99 HB2 ARG 44 HB2 ARG 44 4.153 0.479 -9.857 100 HB3 ARG 44 HB3 ARG 44 3.567 0.352 -8.213 101 HG2 ARG 44 HG2 ARG 44 5.704 1.419 -8.180 102 HG3 ARG 44 HG3 ARG 44 5.851 -0.151 -7.410 103 HD2 ARG 44 HD2 ARG 44 7.813 0.262 -8.779 104 HD3 ARG 44 HD3 ARG 44 6.902 -1.069 -9.473 105 HE ARG 44 HE ARG 44 6.498 0.190 -11.383 106 HH11 ARG 44 HH11 ARG 44 7.732 2.501 -8.994 107 HH12 ARG 44 HH12 ARG 44 7.976 3.714 -10.238 108 HH21 ARG 44 HH21 ARG 44 6.983 1.714 -12.838 109 HH22 ARG 44 HH22 ARG 44 7.578 3.274 -12.341 110 H LEU 45 H LEU 45 2.244 -1.659 -7.283 111 HA LEU 45 HA LEU 45 3.781 -2.702 -5.100 112 HB2 LEU 45 HB2 LEU 45 0.799 -2.432 -5.616 113 HB3 LEU 45 HB3 LEU 45 1.447 -3.017 -4.088 114 HG LEU 45 HG LEU 45 2.116 -0.279 -5.261 115 HD11 LEU 45 HD11 LEU 45 0.126 -1.148 -3.133 116 HD12 LEU 45 HD12 LEU 45 -0.245 -0.441 -4.710 117 HD13 LEU 45 HD13 LEU 45 0.585 0.535 -3.480 118 HD21 LEU 45 HD21 LEU 45 2.849 0.189 -2.928 119 HD22 LEU 45 HD22 LEU 45 3.878 -0.968 -3.775 120 HD23 LEU 45 HD23 LEU 45 2.705 -1.537 -2.561 121 H ARG 46 H ARG 46 1.539 -4.375 -7.364 122 HA ARG 46 HA ARG 46 1.823 -6.959 -6.049 123 HB2 ARG 46 HB2 ARG 46 0.933 -6.151 -8.838 124 HB3 ARG 46 HB3 ARG 46 0.979 -7.833 -8.284 125 HG2 ARG 46 HG2 ARG 46 -0.582 -7.286 -6.439 126 HG3 ARG 46 HG3 ARG 46 -0.620 -5.597 -6.961 127 HD2 ARG 46 HD2 ARG 46 -1.370 -6.529 -9.252 128 HD3 ARG 46 HD3 ARG 46 -1.700 -8.034 -8.414 129 HE ARG 46 HE ARG 46 -2.939 -5.351 -7.805 130 HH11 ARG 46 HH11 ARG 46 -3.599 -8.862 -7.909 131 HH12 ARG 46 HH12 ARG 46 -5.308 -8.497 -7.718 132 HH21 ARG 46 HH21 ARG 46 -4.919 -5.150 -7.383 133 HH22 ARG 46 HH22 ARG 46 -6.004 -6.564 -7.206 134 H ASN 47 H ASN 47 3.845 -5.177 -8.308 135 HA ASN 47 HA ASN 47 5.697 -7.454 -8.667 136 HB2 ASN 47 HB2 ASN 47 5.698 -4.526 -9.458 137 HB3 ASN 47 HB3 ASN 47 7.146 -5.502 -9.562 138 HD21 ASN 47 HD21 ASN 47 5.405 -4.260 -11.732 139 HD22 ASN 47 HD22 ASN 47 4.989 -5.647 -12.751 140 H TYR 48 H TYR 48 5.682 -4.522 -6.559 141 HA TYR 48 HA TYR 48 8.037 -5.203 -5.189 142 HB2 TYR 48 HB2 TYR 48 5.677 -3.483 -4.640 143 HB3 TYR 48 HB3 TYR 48 6.522 -4.008 -3.263 144 HD1 TYR 48 HD1 TYR 48 6.962 -2.116 -6.464 145 HD2 TYR 48 HD2 TYR 48 8.486 -2.891 -2.514 146 HE1 TYR 48 HE1 TYR 48 8.602 -0.270 -6.730 147 HE2 TYR 48 HE2 TYR 48 10.054 -0.974 -2.768 148 HH TYR 48 HH TYR 48 10.410 0.802 -5.817 149 H LEU 49 H LEU 49 4.869 -6.670 -4.690 150 HA LEU 49 HA LEU 49 5.727 -8.204 -2.390 151 HB2 LEU 49 HB2 LEU 49 3.597 -8.486 -4.534 152 HB3 LEU 49 HB3 LEU 49 3.946 -9.871 -3.511 153 HG LEU 49 HG LEU 49 3.316 -7.191 -2.289 154 HD11 LEU 49 HD11 LEU 49 1.406 -7.773 -3.731 155 HD12 LEU 49 HD12 LEU 49 0.973 -8.084 -2.042 156 HD13 LEU 49 HD13 LEU 49 1.401 -9.435 -3.090 157 HD21 LEU 49 HD21 LEU 49 4.312 -8.930 -0.840 158 HD22 LEU 49 HD22 LEU 49 3.013 -10.049 -1.274 159 HD23 LEU 49 HD23 LEU 49 2.654 -8.563 -0.367 160 H LYS 50 H LYS 50 5.880 -9.041 -5.889 161 HA LYS 50 HA LYS 50 7.016 -11.653 -5.335 162 HB2 LYS 50 HB2 LYS 50 7.117 -10.044 -7.904 163 HB3 LYS 50 HB3 LYS 50 7.421 -11.781 -7.699 164 HG2 LYS 50 HG2 LYS 50 5.108 -12.188 -7.045 165 HG3 LYS 50 HG3 LYS 50 4.730 -10.467 -7.130 166 HD2 LYS 50 HD2 LYS 50 5.686 -12.132 -9.486 167 HD3 LYS 50 HD3 LYS 50 3.992 -11.760 -9.140 168 HE2 LYS 50 HE2 LYS 50 4.379 -9.369 -9.407 169 HE3 LYS 50 HE3 LYS 50 6.117 -9.612 -9.597 170 HZ1 LYS 50 HZ1 LYS 50 4.915 -9.335 -11.708 171 HZ2 LYS 50 HZ2 LYS 50 4.108 -10.752 -11.453 172 HZ3 LYS 50 HZ3 LYS 50 5.719 -10.781 -11.649 173 H LYS 51 H LYS 51 8.476 -8.524 -6.167 174 HA LYS 51 HA LYS 51 11.245 -9.389 -6.239 175 HB2 LYS 51 HB2 LYS 51 9.796 -6.791 -5.805 176 HB3 LYS 51 HB3 LYS 51 11.552 -6.906 -5.634 177 HG2 LYS 51 HG2 LYS 51 10.239 -7.857 -8.178 178 HG3 LYS 51 HG3 LYS 51 10.519 -6.145 -7.880 179 HD2 LYS 51 HD2 LYS 51 12.925 -6.533 -7.513 180 HD3 LYS 51 HD3 LYS 51 12.696 -8.274 -7.835 181 HE2 LYS 51 HE2 LYS 51 11.798 -7.723 -10.071 182 HE3 LYS 51 HE3 LYS 51 12.023 -5.998 -9.749 183 HZ1 LYS 51 HZ1 LYS 51 13.826 -6.960 -11.089 184 HZ2 LYS 51 HZ2 LYS 51 14.420 -6.374 -9.675 185 HZ3 LYS 51 HZ3 LYS 51 14.200 -8.001 -9.883 186 H GLY 52 H GLY 52 9.081 -8.462 -3.536 187 HA2 GLY 52 HA2 GLY 52 11.456 -8.137 -1.790 188 HA3 GLY 52 HA3 GLY 52 9.859 -7.442 -1.603 189 H THR 53 H THR 53 8.591 -10.210 -1.972 190 HA THR 53 HA THR 53 9.105 -11.233 0.777 191 HB THR 53 HB THR 53 6.958 -12.167 0.725 192 HG1 THR 53 HG1 THR 53 6.689 -11.270 -1.986 193 HG21 THR 53 HG21 THR 53 5.463 -10.345 0.534 194 HG22 THR 53 HG22 THR 53 6.569 -9.467 -0.557 195 HG23 THR 53 HG23 THR 53 7.002 -9.735 1.141 196 H LYS 54 H LYS 54 8.961 -13.570 1.169 197 HA LYS 54 HA LYS 54 10.408 -15.176 -0.722 198 HB2 LYS 54 HB2 LYS 54 8.666 -16.065 1.603 199 HB3 LYS 54 HB3 LYS 54 9.800 -17.084 0.738 200 HG2 LYS 54 HG2 LYS 54 11.703 -15.901 1.606 201 HG3 LYS 54 HG3 LYS 54 10.697 -14.589 2.230 202 HD2 LYS 54 HD2 LYS 54 9.566 -16.165 3.763 203 HD3 LYS 54 HD3 LYS 54 10.626 -17.476 3.204 204 HE2 LYS 54 HE2 LYS 54 12.595 -16.278 4.075 205 HE3 LYS 54 HE3 LYS 54 11.577 -14.895 4.515 206 HZ1 LYS 54 HZ1 LYS 54 11.357 -17.620 5.663 207 HZ2 LYS 54 HZ2 LYS 54 10.331 -16.398 5.996 208 HZ3 LYS 54 HZ3 LYS 54 11.883 -16.291 6.485 209 H ASN 55 H ASN 55 6.946 -14.762 -0.012 210 HA ASN 55 HA ASN 55 6.193 -15.763 -2.669 211 HB2 ASN 55 HB2 ASN 55 6.277 -17.809 -1.269 212 HB3 ASN 55 HB3 ASN 55 5.298 -17.007 -0.042 213 HD21 ASN 55 HD21 ASN 55 3.569 -18.377 -0.044 214 HD22 ASN 55 HD22 ASN 55 2.541 -18.647 -1.438 215 H SER 56 H SER 56 4.989 -14.127 -3.380 216 HA SER 56 HA SER 56 3.268 -12.406 -1.923 217 HB2 SER 56 HB2 SER 56 4.125 -12.001 -4.210 218 HB3 SER 56 HB3 SER 56 3.140 -13.327 -4.832 219 HG SER 56 HG SER 56 2.189 -11.204 -5.092 220 H ALA 57 H ALA 57 2.606 -15.683 -3.191 221 HA ALA 57 HA ALA 57 -0.130 -15.323 -3.571 222 HB1 ALA 57 HB1 ALA 57 1.353 -17.936 -3.101 223 HB2 ALA 57 HB2 ALA 57 1.253 -17.061 -4.647 224 HB3 ALA 57 HB3 ALA 57 -0.208 -17.741 -3.915 225 H GLN 58 H GLN 58 1.255 -15.650 -0.447 226 HA GLN 58 HA GLN 58 -1.060 -16.935 0.808 227 HB2 GLN 58 HB2 GLN 58 0.116 -16.537 2.871 228 HB3 GLN 58 HB3 GLN 58 1.225 -17.240 1.696 229 HG2 GLN 58 HG2 GLN 58 2.206 -14.983 1.272 230 HG3 GLN 58 HG3 GLN 58 1.093 -14.268 2.429 231 HE21 GLN 58 HE21 GLN 58 4.201 -14.693 2.310 232 HE22 GLN 58 HE22 GLN 58 4.511 -15.290 3.929 233 H PHE 59 H PHE 59 -0.244 -13.730 -0.234 234 HA PHE 59 HA PHE 59 -1.851 -12.333 1.770 235 HB2 PHE 59 HB2 PHE 59 -0.407 -11.380 -0.706 236 HB3 PHE 59 HB3 PHE 59 -1.278 -10.348 0.422 237 HD1 PHE 59 HD1 PHE 59 -0.530 -10.113 2.787 238 HD2 PHE 59 HD2 PHE 59 1.867 -12.195 -0.101 239 HE1 PHE 59 HE1 PHE 59 1.436 -9.907 4.280 240 HE2 PHE 59 HE2 PHE 59 3.825 -12.028 1.393 241 HZ PHE 59 HZ PHE 59 3.622 -10.860 3.569 242 H GLU 60 H GLU 60 -3.787 -11.196 1.393 243 HA GLU 60 HA GLU 60 -5.389 -12.201 -0.948 244 HB2 GLU 60 HB2 GLU 60 -7.326 -12.334 0.377 245 HB3 GLU 60 HB3 GLU 60 -6.068 -13.366 1.078 246 HG2 GLU 60 HG2 GLU 60 -5.657 -11.720 2.812 247 HG3 GLU 60 HG3 GLU 60 -6.761 -10.563 2.086 248 H LYS 61 H LYS 61 -4.725 -9.452 1.172 249 HA LYS 61 HA LYS 61 -5.513 -7.728 -1.023 250 HB2 LYS 61 HB2 LYS 61 -7.149 -6.440 -0.063 251 HB3 LYS 61 HB3 LYS 61 -7.635 -8.074 0.312 252 HG2 LYS 61 HG2 LYS 61 -6.949 -7.757 2.669 253 HG3 LYS 61 HG3 LYS 61 -6.342 -6.131 2.285 254 HD2 LYS 61 HD2 LYS 61 -8.572 -5.414 1.543 255 HD3 LYS 61 HD3 LYS 61 -9.176 -7.057 1.725 256 HE2 LYS 61 HE2 LYS 61 -8.530 -6.764 4.250 257 HE3 LYS 61 HE3 LYS 61 -8.457 -5.038 3.834 258 HZ1 LYS 61 HZ1 LYS 61 -10.666 -5.492 4.600 259 HZ2 LYS 61 HZ2 LYS 61 -10.806 -6.833 3.689 260 HZ3 LYS 61 HZ3 LYS 61 -10.815 -5.345 2.977 261 H MET 62 H MET 62 -5.253 -5.460 -0.439 262 HA MET 62 HA MET 62 -3.029 -4.861 1.397 263 HB2 MET 62 HB2 MET 62 -1.666 -3.775 -0.286 264 HB3 MET 62 HB3 MET 62 -1.918 -5.465 -0.720 265 HG2 MET 62 HG2 MET 62 -3.595 -4.836 -2.386 266 HG3 MET 62 HG3 MET 62 -3.464 -3.136 -1.920 267 HE1 MET 62 HE1 MET 62 -3.120 -2.489 -4.495 268 HE2 MET 62 HE2 MET 62 -3.279 -4.218 -4.887 269 HE3 MET 62 HE3 MET 62 -1.915 -3.286 -5.532 270 H VAL 63 H VAL 63 -2.705 -2.611 1.746 271 HA VAL 63 HA VAL 63 -4.868 -0.769 0.902 272 HB VAL 63 HB VAL 63 -5.485 -1.824 3.096 273 HG11 VAL 63 HG11 VAL 63 -4.234 -1.709 4.959 274 HG12 VAL 63 HG12 VAL 63 -3.313 -0.259 4.441 275 HG13 VAL 63 HG13 VAL 63 -2.967 -1.845 3.757 276 HG21 VAL 63 HG21 VAL 63 -6.007 0.221 4.321 277 HG22 VAL 63 HG22 VAL 63 -6.354 0.426 2.599 278 HG23 VAL 63 HG23 VAL 63 -4.897 1.158 3.305 279 H ILE 64 H ILE 64 -4.230 1.333 0.760 280 HA ILE 64 HA ILE 64 -1.268 1.828 0.828 281 HB ILE 64 HB ILE 64 -3.338 2.531 -1.285 282 HG12 ILE 64 HG12 ILE 64 -0.985 0.662 -1.695 283 HG13 ILE 64 HG13 ILE 64 -2.528 0.035 -1.132 284 HG21 ILE 64 HG21 ILE 64 -0.313 2.947 -1.315 285 HG22 ILE 64 HG22 ILE 64 -1.523 4.235 -1.096 286 HG23 ILE 64 HG23 ILE 64 -1.449 3.360 -2.615 287 HD11 ILE 64 HD11 ILE 64 -3.671 0.932 -3.107 288 HD12 ILE 64 HD12 ILE 64 -2.421 -0.256 -3.497 289 HD13 ILE 64 HD13 ILE 64 -2.094 1.467 -3.760 290 H LEU 65 H LEU 65 -0.780 3.509 2.062 291 HA LEU 65 HA LEU 65 -2.769 5.704 2.493 292 HB2 LEU 65 HB2 LEU 65 -0.338 4.859 4.117 293 HB3 LEU 65 HB3 LEU 65 -1.371 6.242 4.464 294 HG LEU 65 HG LEU 65 -2.067 3.286 4.644 295 HD11 LEU 65 HD11 LEU 65 -0.799 4.387 6.544 296 HD12 LEU 65 HD12 LEU 65 -2.381 3.741 7.005 297 HD13 LEU 65 HD13 LEU 65 -2.170 5.486 6.751 298 HD21 LEU 65 HD21 LEU 65 -3.949 5.645 4.977 299 HD22 LEU 65 HD22 LEU 65 -4.259 3.981 5.525 300 HD23 LEU 65 HD23 LEU 65 -4.080 4.314 3.799 301 H THR 66 H THR 66 -2.299 7.678 1.746 302 HA THR 66 HA THR 66 0.379 8.124 0.471 303 HB THR 66 HB THR 66 -0.664 9.494 -1.197 304 HG1 THR 66 HG1 THR 66 -2.353 10.380 -0.193 305 HG21 THR 66 HG21 THR 66 -0.593 7.068 -1.682 306 HG22 THR 66 HG22 THR 66 -1.949 7.880 -2.471 307 HG23 THR 66 HG23 THR 66 -2.235 6.892 -1.028 308 H GLU 67 H GLU 67 0.970 10.430 0.217 309 HA GLU 67 HA GLU 67 0.411 12.094 2.512 310 HB2 GLU 67 HB2 GLU 67 1.240 13.159 -0.155 311 HB3 GLU 67 HB3 GLU 67 1.595 13.785 1.457 312 HG2 GLU 67 HG2 GLU 67 2.937 11.530 1.767 313 HG3 GLU 67 HG3 GLU 67 2.822 11.410 0.020 314 H ASN 68 H ASN 68 -0.617 14.357 2.066 315 HA ASN 68 HA ASN 68 -2.567 15.495 1.932 316 HB2 ASN 68 HB2 ASN 68 -2.825 14.248 -0.809 317 HB3 ASN 68 HB3 ASN 68 -3.475 15.798 -0.287 318 HD21 ASN 68 HD21 ASN 68 -1.260 14.840 -2.353 319 HD22 ASN 68 HD22 ASN 68 0.116 15.871 -1.876 320 H LYS 69 H LYS 69 -2.657 13.079 3.247 321 HA LYS 69 HA LYS 69 -3.928 11.734 4.442 322 HB2 LYS 69 HB2 LYS 69 -6.085 13.780 3.853 323 HB3 LYS 69 HB3 LYS 69 -6.097 12.601 5.168 324 HG2 LYS 69 HG2 LYS 69 -3.895 13.615 5.987 325 HG3 LYS 69 HG3 LYS 69 -4.138 14.896 4.793 326 HD2 LYS 69 HD2 LYS 69 -4.957 15.751 6.840 327 HD3 LYS 69 HD3 LYS 69 -6.385 15.361 5.868 328 HE2 LYS 69 HE2 LYS 69 -6.579 13.183 7.134 329 HE3 LYS 69 HE3 LYS 69 -5.195 13.670 8.123 330 HZ1 LYS 69 HZ1 LYS 69 -6.503 15.623 8.820 331 HZ2 LYS 69 HZ2 LYS 69 -7.295 14.237 9.231 332 HZ3 LYS 69 HZ3 LYS 69 -7.779 15.107 7.921 333 H GLY 70 H GLY 70 -3.946 10.941 1.557 334 HA2 GLY 70 HA2 GLY 70 -6.523 9.671 1.134 335 HA3 GLY 70 HA3 GLY 70 -5.063 9.399 0.198 336 H TYR 71 H TYR 71 -7.068 7.563 1.051 337 HA TYR 71 HA TYR 71 -5.396 5.366 2.093 338 HB2 TYR 71 HB2 TYR 71 -6.633 6.093 4.067 339 HB3 TYR 71 HB3 TYR 71 -8.120 6.207 3.150 340 HD1 TYR 71 HD1 TYR 71 -9.061 3.962 2.097 341 HD2 TYR 71 HD2 TYR 71 -6.407 4.180 5.510 342 HE1 TYR 71 HE1 TYR 71 -9.848 1.748 2.861 343 HE2 TYR 71 HE2 TYR 71 -7.292 2.032 6.318 344 HH TYR 71 HH TYR 71 -8.958 0.472 6.059 345 H TYR 72 H TYR 72 -5.738 3.569 0.801 346 HA TYR 72 HA TYR 72 -8.218 3.292 -0.839 347 HB2 TYR 72 HB2 TYR 72 -5.417 2.994 -1.996 348 HB3 TYR 72 HB3 TYR 72 -6.936 2.851 -2.849 349 HD1 TYR 72 HD1 TYR 72 -4.601 5.234 -1.187 350 HD2 TYR 72 HD2 TYR 72 -8.029 4.798 -3.774 351 HE1 TYR 72 HE1 TYR 72 -4.465 7.655 -1.784 352 HE2 TYR 72 HE2 TYR 72 -7.836 7.190 -4.425 353 HH TYR 72 HH TYR 72 -6.607 9.081 -4.246 354 H THR 73 H THR 73 -8.750 1.052 -1.220 355 HA THR 73 HA THR 73 -6.782 -0.975 -0.217 356 HB THR 73 HB THR 73 -8.242 -0.469 1.610 357 HG1 THR 73 HG1 THR 73 -8.582 -2.423 2.124 358 HG21 THR 73 HG21 THR 73 -10.575 -1.342 -0.137 359 HG22 THR 73 HG22 THR 73 -10.305 0.272 0.554 360 HG23 THR 73 HG23 THR 73 -10.618 -1.104 1.618 361 H VAL 74 H VAL 74 -6.713 -2.940 -1.187 362 HA VAL 74 HA VAL 74 -8.527 -3.501 -3.482 363 HB VAL 74 HB VAL 74 -5.501 -3.265 -3.798 364 HG11 VAL 74 HG11 VAL 74 -6.474 -4.939 -5.286 365 HG12 VAL 74 HG12 VAL 74 -6.024 -3.515 -6.214 366 HG13 VAL 74 HG13 VAL 74 -7.734 -3.795 -5.810 367 HG21 VAL 74 HG21 VAL 74 -5.966 -1.372 -5.344 368 HG22 VAL 74 HG22 VAL 74 -6.377 -0.990 -3.677 369 HG23 VAL 74 HG23 VAL 74 -7.670 -1.392 -4.832 370 H TYR 75 H TYR 75 -9.011 -5.629 -3.506 371 HA TYR 75 HA TYR 75 -7.509 -7.643 -2.044 372 HB2 TYR 75 HB2 TYR 75 -9.828 -7.774 -3.975 373 HB3 TYR 75 HB3 TYR 75 -9.023 -9.216 -3.381 374 HD1 TYR 75 HD1 TYR 75 -9.118 -9.898 -1.022 375 HD2 TYR 75 HD2 TYR 75 -11.206 -6.394 -2.417 376 HE1 TYR 75 HE1 TYR 75 -10.400 -9.813 1.103 377 HE2 TYR 75 HE2 TYR 75 -12.501 -6.333 -0.312 378 HH TYR 75 HH TYR 75 -11.904 -8.665 2.332 379 H LEU 76 H LEU 76 -6.127 -9.101 -2.688 380 HA LEU 76 HA LEU 76 -4.684 -8.781 -5.257 381 HB2 LEU 76 HB2 LEU 76 -4.067 -10.261 -2.672 382 HB3 LEU 76 HB3 LEU 76 -2.995 -10.218 -4.065 383 HG LEU 76 HG LEU 76 -3.891 -7.681 -2.616 384 HD11 LEU 76 HD11 LEU 76 -1.736 -7.724 -1.501 385 HD12 LEU 76 HD12 LEU 76 -1.356 -9.306 -2.226 386 HD13 LEU 76 HD13 LEU 76 -2.693 -9.140 -1.059 387 HD21 LEU 76 HD21 LEU 76 -1.605 -8.268 -4.539 388 HD22 LEU 76 HD22 LEU 76 -1.867 -6.730 -3.691 389 HD23 LEU 76 HD23 LEU 76 -3.045 -7.281 -4.886 390 H ASN 77 H ASN 77 -6.986 -10.928 -3.810 391 HA ASN 77 HA ASN 77 -6.443 -13.300 -5.360 392 HB2 ASN 77 HB2 ASN 77 -9.133 -12.242 -4.402 393 HB3 ASN 77 HB3 ASN 77 -8.746 -13.909 -4.801 394 HD21 ASN 77 HD21 ASN 77 -9.760 -12.521 -2.336 395 HD22 ASN 77 HD22 ASN 77 -8.749 -13.224 -1.075 396 H THR 78 H THR 78 -7.419 -10.196 -6.412 397 HA THR 78 HA THR 78 -8.632 -11.134 -8.941 398 HB THR 78 HB THR 78 -10.386 -9.295 -8.564 399 HG1 THR 78 HG1 THR 78 -9.696 -8.234 -6.783 400 HG21 THR 78 HG21 THR 78 -10.556 -11.631 -6.611 401 HG22 THR 78 HG22 THR 78 -10.856 -11.763 -8.362 402 HG23 THR 78 HG23 THR 78 -11.893 -10.736 -7.365 403 HA PRO 79 HA PRO 79 -6.426 -7.447 -10.489 404 HB2 PRO 79 HB2 PRO 79 -8.613 -7.437 -12.551 405 HB3 PRO 79 HB3 PRO 79 -6.847 -7.366 -12.792 406 HG2 PRO 79 HG2 PRO 79 -8.198 -9.656 -13.310 407 HG3 PRO 79 HG3 PRO 79 -6.618 -9.712 -12.447 408 HD2 PRO 79 HD2 PRO 79 -9.389 -9.798 -11.228 409 HD3 PRO 79 HD3 PRO 79 -7.986 -10.878 -10.943 410 H LEU 80 H LEU 80 -6.838 -5.163 -10.232 411 HA LEU 80 HA LEU 80 -9.229 -4.564 -8.744 412 HB2 LEU 80 HB2 LEU 80 -8.423 -2.572 -8.197 413 HB3 LEU 80 HB3 LEU 80 -6.952 -3.494 -8.424 414 HG LEU 80 HG LEU 80 -8.100 -1.453 -10.381 415 HD11 LEU 80 HD11 LEU 80 -6.251 -0.037 -9.608 416 HD12 LEU 80 HD12 LEU 80 -5.722 -1.308 -8.482 417 HD13 LEU 80 HD13 LEU 80 -7.273 -0.488 -8.246 418 HD21 LEU 80 HD21 LEU 80 -5.419 -2.896 -10.367 419 HD22 LEU 80 HD22 LEU 80 -5.854 -1.575 -11.455 420 HD23 LEU 80 HD23 LEU 80 -6.713 -3.118 -11.565 421 H ALA 81 H ALA 81 -11.148 -3.805 -9.322 422 HA ALA 81 HA ALA 81 -12.052 -4.083 -11.943 423 HB1 ALA 81 HB1 ALA 81 -13.362 -2.545 -9.663 424 HB2 ALA 81 HB2 ALA 81 -13.402 -4.312 -9.877 425 HB3 ALA 81 HB3 ALA 81 -14.178 -3.261 -11.068 426 H GLU 82 H GLU 82 -13.265 -2.553 -13.305 427 HA GLU 82 HA GLU 82 -11.530 -0.786 -14.470 428 HB2 GLU 82 HB2 GLU 82 -13.339 0.022 -15.854 429 HB3 GLU 82 HB3 GLU 82 -13.381 -1.728 -15.669 430 HG2 GLU 82 HG2 GLU 82 -15.289 -1.622 -14.195 431 HG3 GLU 82 HG3 GLU 82 -15.145 0.129 -14.023 432 H ASP 83 H ASP 83 -13.855 0.270 -11.976 433 HA ASP 83 HA ASP 83 -13.198 3.117 -12.405 434 HB2 ASP 83 HB2 ASP 83 -14.571 1.708 -10.087 435 HB3 ASP 83 HB3 ASP 83 -14.462 3.448 -10.294 436 H ARG 84 H ARG 84 -12.062 0.495 -10.335 437 HA ARG 84 HA ARG 84 -10.472 2.122 -8.492 438 HB2 ARG 84 HB2 ARG 84 -10.445 -0.876 -9.098 439 HB3 ARG 84 HB3 ARG 84 -9.575 -0.091 -7.777 440 HG2 ARG 84 HG2 ARG 84 -11.624 0.603 -6.710 441 HG3 ARG 84 HG3 ARG 84 -12.599 0.050 -8.082 442 HD2 ARG 84 HD2 ARG 84 -11.991 -2.270 -7.662 443 HD3 ARG 84 HD3 ARG 84 -10.927 -1.784 -6.326 444 HE ARG 84 HE ARG 84 -13.434 -0.705 -5.709 445 HH11 ARG 84 HH11 ARG 84 -12.394 -4.012 -6.358 446 HH12 ARG 84 HH12 ARG 84 -13.499 -4.670 -5.182 447 HH21 ARG 84 HH21 ARG 84 -14.675 -1.626 -4.105 448 HH22 ARG 84 HH22 ARG 84 -14.649 -3.351 -3.867 449 H LYS 85 H LYS 85 -9.907 0.616 -11.622 450 HA LYS 85 HA LYS 85 -7.045 0.887 -11.756 451 HB2 LYS 85 HB2 LYS 85 -9.254 0.997 -13.850 452 HB3 LYS 85 HB3 LYS 85 -7.543 1.157 -14.272 453 HG2 LYS 85 HG2 LYS 85 -7.032 -1.013 -13.305 454 HG3 LYS 85 HG3 LYS 85 -8.713 -1.219 -12.778 455 HD2 LYS 85 HD2 LYS 85 -9.482 -1.252 -15.091 456 HD3 LYS 85 HD3 LYS 85 -7.841 -0.912 -15.682 457 HE2 LYS 85 HE2 LYS 85 -7.008 -3.014 -14.892 458 HE3 LYS 85 HE3 LYS 85 -8.466 -3.330 -13.939 459 HZ1 LYS 85 HZ1 LYS 85 -8.322 -4.548 -16.087 460 HZ2 LYS 85 HZ2 LYS 85 -8.525 -3.126 -16.895 461 HZ3 LYS 85 HZ3 LYS 85 -9.706 -3.690 -15.898 462 H ASN 86 H ASN 86 -9.575 3.275 -11.936 463 HA ASN 86 HA ASN 86 -7.639 5.374 -12.820 464 HB2 ASN 86 HB2 ASN 86 -10.459 4.720 -13.747 465 HB3 ASN 86 HB3 ASN 86 -9.659 6.242 -14.113 466 HD21 ASN 86 HD21 ASN 86 -10.177 3.211 -15.419 467 HD22 ASN 86 HD22 ASN 86 -8.669 3.048 -16.317 468 H VAL 87 H VAL 87 -9.261 4.573 -10.130 469 HA VAL 87 HA VAL 87 -10.336 7.030 -9.190 470 HB VAL 87 HB VAL 87 -10.497 4.723 -8.171 471 HG11 VAL 87 HG11 VAL 87 -8.893 3.965 -6.580 472 HG12 VAL 87 HG12 VAL 87 -7.840 5.374 -6.882 473 HG13 VAL 87 HG13 VAL 87 -8.142 4.177 -8.165 474 HG21 VAL 87 HG21 VAL 87 -9.694 6.968 -6.259 475 HG22 VAL 87 HG22 VAL 87 -10.624 5.515 -5.840 476 HG23 VAL 87 HG23 VAL 87 -11.315 6.701 -6.942 477 H GLU 88 H GLU 88 -9.454 8.737 -8.100 478 HA GLU 88 HA GLU 88 -6.945 9.608 -9.230 479 HB2 GLU 88 HB2 GLU 88 -8.805 10.929 -7.216 480 HB3 GLU 88 HB3 GLU 88 -7.537 11.745 -8.110 481 HG2 GLU 88 HG2 GLU 88 -8.702 11.540 -10.186 482 HG3 GLU 88 HG3 GLU 88 -9.794 10.310 -9.567 483 H LEU 89 H LEU 89 -4.963 9.579 -8.347 484 HA LEU 89 HA LEU 89 -4.516 8.807 -5.539 485 HB2 LEU 89 HB2 LEU 89 -2.658 9.572 -7.800 486 HB3 LEU 89 HB3 LEU 89 -2.101 9.096 -6.207 487 HG LEU 89 HG LEU 89 -3.689 7.359 -8.146 488 HD11 LEU 89 HD11 LEU 89 -0.806 7.135 -7.204 489 HD12 LEU 89 HD12 LEU 89 -1.326 7.737 -8.789 490 HD13 LEU 89 HD13 LEU 89 -1.636 6.054 -8.344 491 HD21 LEU 89 HD21 LEU 89 -2.584 6.754 -5.363 492 HD22 LEU 89 HD22 LEU 89 -3.085 5.506 -6.511 493 HD23 LEU 89 HD23 LEU 89 -4.280 6.642 -5.900 494 H LEU 90 H LEU 90 -4.598 10.171 -3.924 495 HA LEU 90 HA LEU 90 -4.766 13.015 -4.156 496 HB2 LEU 90 HB2 LEU 90 -4.634 10.976 -1.934 497 HB3 LEU 90 HB3 LEU 90 -4.432 12.667 -1.516 498 HG LEU 90 HG LEU 90 -6.805 11.754 -3.184 499 HD11 LEU 90 HD11 LEU 90 -6.614 11.968 -0.152 500 HD12 LEU 90 HD12 LEU 90 -6.889 10.485 -1.109 501 HD13 LEU 90 HD13 LEU 90 -8.115 11.755 -1.082 502 HD21 LEU 90 HD21 LEU 90 -6.290 14.170 -1.385 503 HD22 LEU 90 HD22 LEU 90 -7.803 13.824 -2.244 504 HD23 LEU 90 HD23 LEU 90 -6.337 14.190 -3.159 505 H GLY 91 H GLY 91 -1.990 10.944 -3.489 506 HA2 GLY 91 HA2 GLY 91 -0.068 13.097 -3.806 507 HA3 GLY 91 HA3 GLY 91 -0.259 12.603 -2.120 508 H LYS 92 H LYS 92 2.165 12.160 -2.768 509 HA LYS 92 HA LYS 92 2.875 9.784 -4.176 510 HB2 LYS 92 HB2 LYS 92 4.193 11.373 -1.948 511 HB3 LYS 92 HB3 LYS 92 4.846 9.864 -2.520 512 HG2 LYS 92 HG2 LYS 92 6.026 11.396 -3.763 513 HG3 LYS 92 HG3 LYS 92 4.805 10.848 -4.901 514 HD2 LYS 92 HD2 LYS 92 3.498 12.901 -4.526 515 HD3 LYS 92 HD3 LYS 92 4.624 13.389 -3.229 516 HE2 LYS 92 HE2 LYS 92 6.468 13.457 -4.851 517 HE3 LYS 92 HE3 LYS 92 5.349 13.039 -6.159 518 HZ1 LYS 92 HZ1 LYS 92 4.125 15.108 -5.663 519 HZ2 LYS 92 HZ2 LYS 92 5.700 15.454 -6.002 520 HZ3 LYS 92 HZ3 LYS 92 5.136 15.485 -4.458 521 H MET 93 H MET 93 3.167 7.681 -3.571 522 HA MET 93 HA MET 93 1.664 6.528 -1.417 523 HB2 MET 93 HB2 MET 93 2.496 5.349 -3.477 524 HB3 MET 93 HB3 MET 93 4.117 5.324 -2.780 525 HG2 MET 93 HG2 MET 93 1.723 4.243 -1.257 526 HG3 MET 93 HG3 MET 93 2.464 3.279 -2.520 527 HE1 MET 93 HE1 MET 93 5.385 3.097 -2.450 528 HE2 MET 93 HE2 MET 93 4.335 1.687 -2.250 529 HE3 MET 93 HE3 MET 93 5.702 1.918 -1.158 530 H TYR 94 H TYR 94 1.994 6.753 0.692 531 HA TYR 94 HA TYR 94 4.649 7.621 1.737 532 HB2 TYR 94 HB2 TYR 94 3.071 8.973 2.714 533 HB3 TYR 94 HB3 TYR 94 1.797 7.780 2.642 534 HD1 TYR 94 HD1 TYR 94 4.873 8.724 4.537 535 HD2 TYR 94 HD2 TYR 94 1.305 6.309 4.448 536 HE1 TYR 94 HE1 TYR 94 5.207 8.125 6.920 537 HE2 TYR 94 HE2 TYR 94 1.617 5.746 6.852 538 HH TYR 94 HH TYR 94 4.476 6.869 8.668 539 H LYS 95 H LYS 95 2.124 5.132 2.411 540 HA LYS 95 HA LYS 95 4.178 3.064 2.618 541 HB2 LYS 95 HB2 LYS 95 4.203 4.127 4.859 542 HB3 LYS 95 HB3 LYS 95 2.484 3.776 5.059 543 HG2 LYS 95 HG2 LYS 95 2.850 1.491 5.386 544 HG3 LYS 95 HG3 LYS 95 4.339 1.480 4.448 545 HD2 LYS 95 HD2 LYS 95 4.799 1.130 6.816 546 HD3 LYS 95 HD3 LYS 95 5.581 2.573 6.180 547 HE2 LYS 95 HE2 LYS 95 3.632 3.914 7.180 548 HE3 LYS 95 HE3 LYS 95 3.148 2.407 7.984 549 HZ1 LYS 95 HZ1 LYS 95 5.314 2.366 9.087 550 HZ2 LYS 95 HZ2 LYS 95 4.589 3.799 9.402 551 HZ3 LYS 95 HZ3 LYS 95 5.770 3.734 8.287 552 H THR 96 H THR 96 3.404 1.052 2.260 553 HA THR 96 HA THR 96 0.439 0.672 1.885 554 HB THR 96 HB THR 96 2.676 -0.729 0.369 555 HG1 THR 96 HG1 THR 96 2.297 1.465 -0.051 556 HG21 THR 96 HG21 THR 96 0.883 -1.550 -1.094 557 HG22 THR 96 HG22 THR 96 -0.342 -0.768 -0.083 558 HG23 THR 96 HG23 THR 96 0.600 -2.126 0.540 559 H TYR 97 H TYR 97 -0.386 -1.199 2.621 560 HA TYR 97 HA TYR 97 1.310 -2.969 4.343 561 HB2 TYR 97 HB2 TYR 97 -1.507 -2.211 5.168 562 HB3 TYR 97 HB3 TYR 97 -0.284 -3.008 6.050 563 HD1 TYR 97 HD1 TYR 97 -0.873 0.363 4.414 564 HD2 TYR 97 HD2 TYR 97 0.817 -1.864 7.691 565 HE1 TYR 97 HE1 TYR 97 -0.170 2.472 5.506 566 HE2 TYR 97 HE2 TYR 97 1.373 0.241 8.837 567 HH TYR 97 HH TYR 97 1.257 2.535 8.796 568 H PHE 98 H PHE 98 0.718 -5.085 4.487 569 HA PHE 98 HA PHE 98 -1.283 -6.126 2.503 570 HB2 PHE 98 HB2 PHE 98 1.607 -6.930 2.969 571 HB3 PHE 98 HB3 PHE 98 0.495 -7.774 1.916 572 HD1 PHE 98 HD1 PHE 98 2.477 -4.628 2.307 573 HD2 PHE 98 HD2 PHE 98 -0.043 -6.985 -0.259 574 HE1 PHE 98 HE1 PHE 98 3.136 -3.226 0.362 575 HE2 PHE 98 HE2 PHE 98 0.641 -5.597 -2.209 576 HZ PHE 98 HZ PHE 98 2.260 -3.746 -1.899 577 H PHE 99 H PHE 99 -2.328 -7.996 2.965 578 HA PHE 99 HA PHE 99 -2.077 -9.074 5.749 579 HB2 PHE 99 HB2 PHE 99 -4.616 -8.518 4.165 580 HB3 PHE 99 HB3 PHE 99 -4.505 -9.031 5.842 581 HD1 PHE 99 HD1 PHE 99 -3.799 -6.218 3.486 582 HD2 PHE 99 HD2 PHE 99 -4.309 -7.368 7.605 583 HE1 PHE 99 HE1 PHE 99 -3.536 -3.883 4.159 584 HE2 PHE 99 HE2 PHE 99 -4.154 -4.983 8.266 585 HZ PHE 99 HZ PHE 99 -3.644 -3.246 6.578 586 H LYS 100 H LYS 100 -2.143 -11.262 5.989 587 HA LYS 100 HA LYS 100 -2.159 -12.964 3.587 588 HB2 LYS 100 HB2 LYS 100 -1.872 -13.744 6.482 589 HB3 LYS 100 HB3 LYS 100 -1.680 -14.810 5.074 590 HG2 LYS 100 HG2 LYS 100 0.384 -14.256 4.718 591 HG3 LYS 100 HG3 LYS 100 0.095 -12.536 4.754 592 HD2 LYS 100 HD2 LYS 100 0.354 -12.502 7.204 593 HD3 LYS 100 HD3 LYS 100 0.393 -14.270 7.260 594 HE2 LYS 100 HE2 LYS 100 2.468 -14.252 5.859 595 HE3 LYS 100 HE3 LYS 100 2.481 -12.491 5.930 596 HZ1 LYS 100 HZ1 LYS 100 2.662 -14.270 8.320 597 HZ2 LYS 100 HZ2 LYS 100 2.860 -12.625 8.310 598 HZ3 LYS 100 HZ3 LYS 100 3.931 -13.618 7.563 599 H LYS 101 H LYS 101 -3.423 -14.904 3.397 600 HA LYS 101 HA LYS 101 -6.148 -14.573 3.165 601 HB2 LYS 101 HB2 LYS 101 -4.864 -16.344 2.079 602 HB3 LYS 101 HB3 LYS 101 -4.583 -17.124 3.629 603 HG2 LYS 101 HG2 LYS 101 -6.267 -18.380 2.540 604 HG3 LYS 101 HG3 LYS 101 -7.046 -17.537 3.855 605 HD2 LYS 101 HD2 LYS 101 -8.533 -17.462 2.029 606 HD3 LYS 101 HD3 LYS 101 -7.877 -15.835 2.159 607 HE2 LYS 101 HE2 LYS 101 -6.369 -16.242 0.268 608 HE3 LYS 101 HE3 LYS 101 -6.810 -17.957 0.238 609 HZ1 LYS 101 HZ1 LYS 101 -9.057 -17.337 -0.408 610 HZ2 LYS 101 HZ2 LYS 101 -8.015 -16.669 -1.467 611 HZ3 LYS 101 HZ3 LYS 101 -8.706 -15.739 -0.289 612 H GLY 102 H GLY 102 -7.580 -13.957 4.655 613 HA2 GLY 102 HA2 GLY 102 -9.104 -14.334 6.369 614 HA3 GLY 102 HA3 GLY 102 -8.156 -15.701 6.951 615 H GLU 103 H GLU 103 -6.579 -12.554 6.589 616 HA GLU 103 HA GLU 103 -6.618 -12.196 9.572 617 HB2 GLU 103 HB2 GLU 103 -4.360 -11.686 7.601 618 HB3 GLU 103 HB3 GLU 103 -4.333 -11.332 9.326 619 HG2 GLU 103 HG2 GLU 103 -4.782 -13.776 9.790 620 HG3 GLU 103 HG3 GLU 103 -4.607 -14.094 8.060 621 H SER 104 H SER 104 -5.926 -9.926 10.244 622 HA SER 104 HA SER 104 -7.372 -7.823 8.675 623 HB2 SER 104 HB2 SER 104 -8.529 -7.265 10.867 624 HB3 SER 104 HB3 SER 104 -9.052 -8.713 10.023 625 HG SER 104 HG SER 104 -7.453 -8.456 12.368 626 H LYS 105 H LYS 105 -4.628 -8.488 10.527 627 HA LYS 105 HA LYS 105 -3.920 -5.589 10.413 628 HB2 LYS 105 HB2 LYS 105 -4.343 -6.216 12.745 629 HB3 LYS 105 HB3 LYS 105 -3.169 -7.542 12.622 630 HG2 LYS 105 HG2 LYS 105 -1.375 -6.024 12.385 631 HG3 LYS 105 HG3 LYS 105 -2.388 -4.636 12.154 632 HD2 LYS 105 HD2 LYS 105 -1.624 -4.451 14.383 633 HD3 LYS 105 HD3 LYS 105 -3.282 -5.018 14.540 634 HE2 LYS 105 HE2 LYS 105 -2.477 -7.330 14.858 635 HE3 LYS 105 HE3 LYS 105 -0.805 -6.781 14.603 636 HZ1 LYS 105 HZ1 LYS 105 -1.176 -6.922 16.966 637 HZ2 LYS 105 HZ2 LYS 105 -2.569 -6.074 16.885 638 HZ3 LYS 105 HZ3 LYS 105 -1.129 -5.327 16.592 639 H SER 106 H SER 106 -1.987 -5.188 9.448 640 HA SER 106 HA SER 106 -1.268 -7.097 7.494 641 HB2 SER 106 HB2 SER 106 0.281 -5.534 6.635 642 HB3 SER 106 HB3 SER 106 -1.050 -4.605 7.327 643 HG SER 106 HG SER 106 1.596 -4.997 8.381 644 H SER 107 H SER 107 0.875 -7.890 6.922 645 HA SER 107 HA SER 107 2.778 -8.287 9.204 646 HB2 SER 107 HB2 SER 107 1.308 -10.320 8.752 647 HB3 SER 107 HB3 SER 107 2.087 -10.442 7.176 648 HG SER 107 HG SER 107 3.526 -10.378 9.641 649 H TYR 108 H TYR 108 2.330 -7.251 6.049 650 HA TYR 108 HA TYR 108 5.232 -6.940 5.683 651 HB2 TYR 108 HB2 TYR 108 4.721 -8.901 4.373 652 HB3 TYR 108 HB3 TYR 108 3.342 -8.124 3.632 653 HD1 TYR 108 HD1 TYR 108 7.052 -7.696 3.994 654 HD2 TYR 108 HD2 TYR 108 3.615 -7.292 1.455 655 HE1 TYR 108 HE1 TYR 108 8.554 -7.164 2.050 656 HE2 TYR 108 HE2 TYR 108 5.097 -6.811 -0.474 657 HH TYR 108 HH TYR 108 7.311 -6.700 -1.256 658 H VAL 109 H VAL 109 5.756 -5.053 4.898 659 HA VAL 109 HA VAL 109 3.769 -3.092 3.936 660 HB VAL 109 HB VAL 109 5.078 -1.493 5.669 661 HG11 VAL 109 HG11 VAL 109 3.322 -1.775 7.327 662 HG12 VAL 109 HG12 VAL 109 2.760 -3.247 6.494 663 HG13 VAL 109 HG13 VAL 109 2.695 -1.658 5.678 664 HG21 VAL 109 HG21 VAL 109 4.869 -4.049 7.267 665 HG22 VAL 109 HG22 VAL 109 5.585 -2.488 7.735 666 HG23 VAL 109 HG23 VAL 109 6.370 -3.500 6.506 667 H ILE 110 H ILE 110 4.690 -1.203 3.042 668 HA ILE 110 HA ILE 110 7.586 -1.297 2.294 669 HB ILE 110 HB ILE 110 5.307 -1.148 0.335 670 HG12 ILE 110 HG12 ILE 110 6.856 -3.624 1.140 671 HG13 ILE 110 HG13 ILE 110 5.126 -3.381 1.143 672 HG21 ILE 110 HG21 ILE 110 8.261 -1.720 -0.217 673 HG22 ILE 110 HG22 ILE 110 7.517 -0.115 -0.370 674 HG23 ILE 110 HG23 ILE 110 6.979 -1.398 -1.409 675 HD11 ILE 110 HD11 ILE 110 5.430 -4.709 -0.700 676 HD12 ILE 110 HD12 ILE 110 6.958 -3.943 -1.138 677 HD13 ILE 110 HD13 ILE 110 5.383 -3.115 -1.438 678 H ASN 111 H ASN 111 8.394 0.706 1.689 679 HA ASN 111 HA ASN 111 6.729 3.052 2.472 680 HB2 ASN 111 HB2 ASN 111 9.756 2.758 2.185 681 HB3 ASN 111 HB3 ASN 111 8.892 4.076 2.975 682 HD21 ASN 111 HD21 ASN 111 7.582 3.417 4.969 683 HD22 ASN 111 HD22 ASN 111 8.266 2.121 5.957 684 H GLY 112 H GLY 112 6.905 5.027 1.188 685 HA2 GLY 112 HA2 GLY 112 7.939 4.682 -1.609 686 HA3 GLY 112 HA3 GLY 112 6.307 5.252 -1.310 687 HA PRO 113 HA PRO 113 9.407 8.740 -1.588 688 HB2 PRO 113 HB2 PRO 113 8.602 9.994 -3.858 689 HB3 PRO 113 HB3 PRO 113 9.486 8.451 -3.892 690 HG2 PRO 113 HG2 PRO 113 6.480 8.854 -4.079 691 HG3 PRO 113 HG3 PRO 113 7.540 7.910 -5.174 692 HD2 PRO 113 HD2 PRO 113 6.157 6.770 -3.097 693 HD3 PRO 113 HD3 PRO 113 7.759 6.171 -3.619 694 H GLY 114 H GLY 114 6.857 8.566 -0.030 695 HA2 GLY 114 HA2 GLY 114 6.426 11.460 0.369 696 HA3 GLY 114 HA3 GLY 114 5.067 10.329 0.455 697 H LYS 115 H LYS 115 5.921 11.983 2.504 698 HA LYS 115 HA LYS 115 7.439 10.315 4.511 699 HB2 LYS 115 HB2 LYS 115 8.659 12.128 3.319 700 HB3 LYS 115 HB3 LYS 115 7.464 13.261 3.904 701 HG2 LYS 115 HG2 LYS 115 9.372 13.607 5.179 702 HG3 LYS 115 HG3 LYS 115 8.228 12.825 6.255 703 HD2 LYS 115 HD2 LYS 115 9.456 10.661 5.957 704 HD3 LYS 115 HD3 LYS 115 10.579 11.476 4.835 705 HE2 LYS 115 HE2 LYS 115 11.155 13.111 6.629 706 HE3 LYS 115 HE3 LYS 115 10.072 12.267 7.740 707 HZ1 LYS 115 HZ1 LYS 115 12.560 11.126 6.559 708 HZ2 LYS 115 HZ2 LYS 115 12.301 11.597 8.116 709 HZ3 LYS 115 HZ3 LYS 115 11.518 10.302 7.544 710 H THR 116 H THR 116 4.497 12.162 4.090 711 HA THR 116 HA THR 116 3.635 11.555 6.820 712 HB THR 116 HB THR 116 4.819 13.670 7.213 713 HG1 THR 116 HG1 THR 116 3.000 14.918 7.899 714 HG21 THR 116 HG21 THR 116 2.914 14.985 5.232 715 HG22 THR 116 HG22 THR 116 4.632 14.645 4.905 716 HG23 THR 116 HG23 THR 116 4.183 15.761 6.195 717 H ASN 117 H ASN 117 1.362 11.452 6.932 718 HA ASN 117 HA ASN 117 -0.114 11.521 4.430 719 HB2 ASN 117 HB2 ASN 117 -1.089 11.280 7.302 720 HB3 ASN 117 HB3 ASN 117 -2.008 10.955 5.829 721 HD21 ASN 117 HD21 ASN 117 -0.736 9.371 4.233 722 HD22 ASN 117 HD22 ASN 117 0.074 8.038 5.072 723 H GLU 118 H GLU 118 0.474 13.804 7.034 724 HA GLU 118 HA GLU 118 -1.722 15.607 6.433 725 HB2 GLU 118 HB2 GLU 118 0.707 15.849 8.236 726 HB3 GLU 118 HB3 GLU 118 -0.609 17.036 8.129 727 HG2 GLU 118 HG2 GLU 118 -2.232 15.322 8.793 728 HG3 GLU 118 HG3 GLU 118 -0.940 14.125 8.931 729 H TYR 119 H TYR 119 -1.296 15.842 4.147 730 HA TYR 119 HA TYR 119 -0.594 16.955 2.350 731 HB2 TYR 119 HB2 TYR 119 -0.947 19.172 4.342 732 HB3 TYR 119 HB3 TYR 119 -0.763 19.444 2.612 733 HD1 TYR 119 HD1 TYR 119 -2.354 18.444 0.965 734 HD2 TYR 119 HD2 TYR 119 -3.097 18.367 5.214 735 HE1 TYR 119 HE1 TYR 119 -4.719 17.829 0.538 736 HE2 TYR 119 HE2 TYR 119 -5.488 17.780 4.773 737 HH TYR 119 HH TYR 119 -6.753 17.357 1.451 738 H ALA 120 H ALA 120 1.472 15.678 2.941 739 HA ALA 120 HA ALA 120 3.673 15.405 2.754 740 HB1 ALA 120 HB1 ALA 120 4.449 16.214 0.584 741 HB2 ALA 120 HB2 ALA 120 3.250 17.517 0.617 742 HB3 ALA 120 HB3 ALA 120 2.722 15.828 0.475 743 H TYR 121 H TYR 121 3.191 17.703 4.660 744 HA TYR 121 HA TYR 121 5.984 18.132 5.203 745 HB2 TYR 121 HB2 TYR 121 5.607 19.855 3.391 746 HB3 TYR 121 HB3 TYR 121 4.472 20.658 4.450 747 HD1 TYR 121 HD1 TYR 121 7.982 19.232 4.617 748 HD2 TYR 121 HD2 TYR 121 5.348 22.510 5.560 749 HE1 TYR 121 HE1 TYR 121 9.882 20.455 5.677 750 HE2 TYR 121 HE2 TYR 121 7.237 23.734 6.598 751 HH TYR 121 HH TYR 121 9.440 23.725 7.076 752 H1 ACE 6 H1 ACE 6 24.428 -3.211 -5.062 753 H2 ACE 6 H2 ACE 6 23.520 -1.682 -5.029 754 H3 ACE 6 H3 ACE 6 24.591 -2.110 -3.682 755 H THR 7 H THR 7 21.133 -4.316 -3.845 756 HA THR 7 HA THR 7 22.199 -3.172 -6.366 757 HB THR 7 HB THR 7 23.538 -5.188 -5.887 758 HG1 THR 7 HG1 THR 7 23.366 -6.110 -7.791 759 HG21 THR 7 HG21 THR 7 20.898 -6.699 -5.945 760 HG22 THR 7 HG22 THR 7 22.508 -7.444 -6.046 761 HG23 THR 7 HG23 THR 7 22.041 -6.565 -4.595 762 H THR 8 H THR 8 19.684 -3.001 -4.768 763 HA THR 8 HA THR 8 17.857 -3.053 -7.009 764 HB THR 8 HB THR 8 17.955 -5.456 -6.117 765 HG1 THR 8 HG1 THR 8 15.802 -5.794 -6.387 766 HG21 THR 8 HG21 THR 8 16.663 -6.109 -4.297 767 HG22 THR 8 HG22 THR 8 17.677 -4.792 -3.680 768 HG23 THR 8 HG23 THR 8 15.966 -4.497 -4.087 769 HA PRO 9 HA PRO 9 15.661 0.181 -4.618 770 HB2 PRO 9 HB2 PRO 9 13.279 -1.423 -5.540 771 HB3 PRO 9 HB3 PRO 9 13.453 0.364 -5.486 772 HG2 PRO 9 HG2 PRO 9 13.782 -0.927 -7.823 773 HG3 PRO 9 HG3 PRO 9 14.993 0.311 -7.341 774 HD2 PRO 9 HD2 PRO 9 15.189 -2.694 -7.121 775 HD3 PRO 9 HD3 PRO 9 16.421 -1.520 -7.657 776 H ASP 10 H ASP 10 13.804 0.385 -2.928 777 HA ASP 10 HA ASP 10 14.396 -1.484 -0.810 778 HB2 ASP 10 HB2 ASP 10 14.119 1.096 -0.714 779 HB3 ASP 10 HB3 ASP 10 12.395 0.800 -0.642 780 HN2 TYS 11 HN2 TYS 11 13.500 -3.288 -2.007 781 HA TYS 11 HA TYS 11 10.695 -3.780 -2.316 782 HB2 TYS 11 HB2 TYS 11 13.210 -5.387 -2.855 783 HB3 TYS 11 HB3 TYS 11 11.631 -6.147 -2.867 784 HD1 TYS 11 HD1 TYS 11 9.691 -4.806 -4.007 785 HD2 TYS 11 HD2 TYS 11 13.856 -4.483 -5.055 786 HE1 TYS 11 HE1 TYS 11 9.097 -3.775 -6.062 787 HE2 TYS 11 HE2 TYS 11 13.202 -3.445 -7.181 788 H GLY 12 H GLY 12 10.463 -3.155 -0.477 789 HA2 GLY 12 HA2 GLY 12 9.031 -3.293 1.261 790 HA3 GLY 12 HA3 GLY 12 8.719 -4.918 0.703 791 H HIS 13 H HIS 13 8.345 -4.459 3.411 792 HA HIS 13 HA HIS 13 10.380 -6.274 4.505 793 HB2 HIS 13 HB2 HIS 13 10.692 -5.001 6.506 794 HB3 HIS 13 HB3 HIS 13 11.353 -4.150 5.112 795 HD1 HIS 13 HD1 HIS 13 9.962 -1.976 4.225 796 HD2 HIS 13 HD2 HIS 13 8.583 -3.760 7.813 797 HE1 HIS 13 HE1 HIS 13 8.072 -0.447 5.155 798 HE2 HIS 13 HE2 HIS 13 7.507 -1.364 7.499 799 HN2 TYS 14 HN2 TYS 14 9.719 -7.594 6.102 800 HA TYS 14 HA TYS 14 6.846 -7.518 6.820 801 HB2 TYS 14 HB2 TYS 14 9.035 -9.603 7.137 802 HB3 TYS 14 HB3 TYS 14 7.493 -9.757 7.934 803 HD1 TYS 14 HD1 TYS 14 8.932 -9.434 4.394 804 HD2 TYS 14 HD2 TYS 14 5.636 -10.742 6.896 805 HE1 TYS 14 HE1 TYS 14 8.200 -10.911 2.674 806 HE2 TYS 14 HE2 TYS 14 4.867 -12.166 5.082 807 H ASP 15 H ASP 15 5.985 -7.234 8.709 808 HA ASP 15 HA ASP 15 7.792 -5.724 10.536 809 HB2 ASP 15 HB2 ASP 15 6.249 -4.114 10.638 810 HB3 ASP 15 HB3 ASP 15 6.070 -4.653 9.006 811 H ASP 16 H ASP 16 6.803 -5.191 12.710 812 HA ASP 16 HA ASP 16 5.253 -7.403 13.954 813 HB2 ASP 16 HB2 ASP 16 7.742 -6.097 15.140 814 HB3 ASP 16 HB3 ASP 16 6.619 -7.087 16.063 815 H LYS 17 H LYS 17 6.082 -4.005 13.790 816 HA LYS 17 HA LYS 17 3.566 -3.307 15.175 817 HB2 LYS 17 HB2 LYS 17 4.573 -1.777 16.718 818 HB3 LYS 17 HB3 LYS 17 5.215 -3.385 16.937 819 HG2 LYS 17 HG2 LYS 17 7.076 -2.095 17.242 820 HG3 LYS 17 HG3 LYS 17 7.273 -2.657 15.595 821 HD2 LYS 17 HD2 LYS 17 7.934 -0.326 15.848 822 HD3 LYS 17 HD3 LYS 17 6.553 -0.426 14.753 823 HE2 LYS 17 HE2 LYS 17 5.029 0.323 16.495 824 HE3 LYS 17 HE3 LYS 17 6.302 0.200 17.722 825 HZ1 LYS 17 HZ1 LYS 17 6.349 2.069 15.424 826 HZ2 LYS 17 HZ2 LYS 17 7.496 1.972 16.621 827 HZ3 LYS 17 HZ3 LYS 17 5.969 2.487 16.957 828 H ASP 18 H ASP 18 5.641 -2.706 12.596 829 HA ASP 18 HA ASP 18 4.972 0.043 12.065 830 HB2 ASP 18 HB2 ASP 18 6.825 -1.472 11.022 831 HB3 ASP 18 HB3 ASP 18 5.541 -2.090 9.990 832 H THR 19 H THR 19 3.224 -2.937 11.739 833 HA THR 19 HA THR 19 1.523 -2.722 9.733 834 HB THR 19 HB THR 19 1.582 -4.681 11.201 835 HG1 THR 19 HG1 THR 19 -0.024 -4.587 9.965 836 HG21 THR 19 HG21 THR 19 0.018 -3.117 13.250 837 HG22 THR 19 HG22 THR 19 1.736 -3.574 13.400 838 HG23 THR 19 HG23 THR 19 0.516 -4.836 13.294 839 H LEU 20 H LEU 20 -0.673 -2.393 9.325 840 HA LEU 20 HA LEU 20 -2.161 -0.345 10.870 841 HB2 LEU 20 HB2 LEU 20 -1.870 0.384 8.501 842 HB3 LEU 20 HB3 LEU 20 -2.379 -1.230 7.960 843 HG LEU 20 HG LEU 20 -4.629 -0.815 8.900 844 HD11 LEU 20 HD11 LEU 20 -4.136 0.847 10.650 845 HD12 LEU 20 HD12 LEU 20 -5.267 1.517 9.476 846 HD13 LEU 20 HD13 LEU 20 -3.560 1.999 9.416 847 HD21 LEU 20 HD21 LEU 20 -5.266 0.802 7.135 848 HD22 LEU 20 HD22 LEU 20 -4.095 -0.408 6.597 849 HD23 LEU 20 HD23 LEU 20 -3.551 1.246 6.930 850 H ASP 21 H ASP 21 -3.752 -1.249 11.985 851 HA ASP 21 HA ASP 21 -4.945 -3.857 11.338 852 HB2 ASP 21 HB2 ASP 21 -6.453 -2.927 13.357 853 HB3 ASP 21 HB3 ASP 21 -5.080 -3.946 13.527 854 H LEU 22 H LEU 22 -6.702 -4.045 10.308 855 HA LEU 22 HA LEU 22 -8.131 -1.653 9.200 856 HB2 LEU 22 HB2 LEU 22 -7.595 -4.493 8.469 857 HB3 LEU 22 HB3 LEU 22 -9.226 -3.949 8.068 858 HG LEU 22 HG LEU 22 -8.401 -2.305 6.564 859 HD11 LEU 22 HD11 LEU 22 -5.950 -2.024 6.194 860 HD12 LEU 22 HD12 LEU 22 -5.654 -2.910 7.717 861 HD13 LEU 22 HD13 LEU 22 -6.516 -1.352 7.728 862 HD21 LEU 22 HD21 LEU 22 -6.608 -4.768 6.373 863 HD22 LEU 22 HD22 LEU 22 -7.090 -3.716 5.031 864 HD23 LEU 22 HD23 LEU 22 -8.312 -4.713 5.879 865 H ASN 23 H ASN 23 -8.594 -4.241 11.453 866 HA ASN 23 HA ASN 23 -10.961 -3.597 12.712 867 HB2 ASN 23 HB2 ASN 23 -12.588 -5.057 11.712 868 HB3 ASN 23 HB3 ASN 23 -12.036 -4.046 10.413 869 HD21 ASN 23 HD21 ASN 23 -9.728 -5.265 9.545 870 HD22 ASN 23 HD22 ASN 23 -10.216 -6.776 8.805 871 H THR 24 H THR 24 -11.837 -6.050 13.390 872 HA THR 24 HA THR 24 -9.764 -8.098 13.446 873 HB THR 24 HB THR 24 -9.103 -6.890 15.422 874 HG1 THR 24 HG1 THR 24 -9.234 -8.437 16.879 875 HG21 THR 24 HG21 THR 24 -11.974 -7.148 16.382 876 HG22 THR 24 HG22 THR 24 -10.596 -6.613 17.367 877 HG23 THR 24 HG23 THR 24 -11.112 -5.645 15.975 878 HA PRO 25 HA PRO 25 -13.631 -10.332 12.970 879 HB2 PRO 25 HB2 PRO 25 -12.957 -12.901 13.555 880 HB3 PRO 25 HB3 PRO 25 -12.306 -12.046 12.126 881 HG2 PRO 25 HG2 PRO 25 -11.019 -12.295 14.873 882 HG3 PRO 25 HG3 PRO 25 -10.344 -12.789 13.294 883 HD2 PRO 25 HD2 PRO 25 -9.745 -10.366 14.324 884 HD3 PRO 25 HD3 PRO 25 -10.148 -10.493 12.588 885 H VAL 26 H VAL 26 -14.953 -11.969 14.108 886 HA VAL 26 HA VAL 26 -16.173 -11.417 16.437 887 HB VAL 26 HB VAL 26 -16.438 -13.305 14.689 888 HG11 VAL 26 HG11 VAL 26 -14.386 -14.583 15.231 889 HG12 VAL 26 HG12 VAL 26 -15.871 -15.542 15.294 890 HG13 VAL 26 HG13 VAL 26 -15.102 -15.017 16.800 891 HG21 VAL 26 HG21 VAL 26 -17.200 -13.798 17.592 892 HG22 VAL 26 HG22 VAL 26 -17.964 -14.541 16.169 893 HG23 VAL 26 HG23 VAL 26 -18.089 -12.799 16.434 894 H ASP 27 H ASP 27 -15.973 -11.597 18.645 895 HA ASP 27 HA ASP 27 -13.250 -12.129 19.690 896 HB2 ASP 27 HB2 ASP 27 -15.752 -11.125 21.097 897 HB3 ASP 27 HB3 ASP 27 -14.150 -11.257 21.812 898 H LYS 28 H LYS 28 -16.115 -13.846 19.262 899 HA LYS 28 HA LYS 28 -15.368 -16.129 21.003 900 HB2 LYS 28 HB2 LYS 28 -16.689 -14.633 22.437 901 HB3 LYS 28 HB3 LYS 28 -17.945 -14.506 21.201 902 HG2 LYS 28 HG2 LYS 28 -18.436 -16.927 21.444 903 HG3 LYS 28 HG3 LYS 28 -17.178 -17.058 22.688 904 HD2 LYS 28 HD2 LYS 28 -18.415 -15.554 24.163 905 HD3 LYS 28 HD3 LYS 28 -19.572 -15.175 22.870 906 HE2 LYS 28 HE2 LYS 28 -20.127 -17.645 22.772 907 HE3 LYS 28 HE3 LYS 28 -19.174 -17.868 24.244 908 HZ1 LYS 28 HZ1 LYS 28 -21.530 -16.058 24.003 909 HZ2 LYS 28 HZ2 LYS 28 -21.559 -17.562 24.658 910 HZ3 LYS 28 HZ3 LYS 28 -20.703 -16.365 25.385 911 HN1 NH2 29 HN1 NH2 29 -16.660 -18.099 18.404 912 HN2 NH2 29 HN2 NH2 29 -15.460 -17.871 19.654 Start of MODEL 20 1 H1 ASN 31 H1 ASN 31 3.681 11.957 -24.931 2 H2 ASN 31 H2 ASN 31 4.375 11.125 -26.156 3 H3 ASN 31 H3 ASN 31 5.186 12.385 -25.474 4 HA ASN 31 HA ASN 31 4.513 9.802 -24.238 5 HB2 ASN 31 HB2 ASN 31 7.242 11.052 -24.837 6 HB3 ASN 31 HB3 ASN 31 6.980 9.555 -23.950 7 HD21 ASN 31 HD21 ASN 31 8.628 9.350 -26.113 8 HD22 ASN 31 HD22 ASN 31 7.775 8.439 -27.342 9 H SER 32 H SER 32 4.285 9.754 -22.077 10 HA SER 32 HA SER 32 6.095 11.124 -20.354 11 HB2 SER 32 HB2 SER 32 4.663 13.091 -20.663 12 HB3 SER 32 HB3 SER 32 3.229 12.146 -20.236 13 HG SER 32 HG SER 32 5.502 12.656 -18.580 14 H GLY 33 H GLY 33 2.693 9.860 -20.112 15 HA2 GLY 33 HA2 GLY 33 1.807 8.149 -18.905 16 HA3 GLY 33 HA3 GLY 33 3.388 7.377 -18.981 17 H LEU 34 H LEU 34 3.362 10.401 -17.260 18 HA LEU 34 HA LEU 34 4.283 9.320 -14.843 19 HB2 LEU 34 HB2 LEU 34 2.947 11.947 -15.548 20 HB3 LEU 34 HB3 LEU 34 3.483 11.616 -13.907 21 HG LEU 34 HG LEU 34 5.374 11.476 -16.291 22 HD11 LEU 34 HD11 LEU 34 6.146 13.716 -15.587 23 HD12 LEU 34 HD12 LEU 34 4.855 13.786 -14.366 24 HD13 LEU 34 HD13 LEU 34 4.452 13.757 -16.097 25 HD21 LEU 34 HD21 LEU 34 5.853 11.742 -13.282 26 HD22 LEU 34 HD22 LEU 34 7.106 11.756 -14.542 27 HD23 LEU 34 HD23 LEU 34 6.163 10.293 -14.264 28 HA PRO 35 HA PRO 35 0.389 7.601 -13.510 29 HB2 PRO 35 HB2 PRO 35 1.119 6.262 -11.269 30 HB3 PRO 35 HB3 PRO 35 1.684 5.761 -12.893 31 HG2 PRO 35 HG2 PRO 35 3.190 7.467 -10.888 32 HG3 PRO 35 HG3 PRO 35 3.783 6.033 -11.786 33 HD2 PRO 35 HD2 PRO 35 4.253 8.587 -12.643 34 HD3 PRO 35 HD3 PRO 35 3.967 7.254 -13.799 35 H THR 36 H THR 36 -1.239 7.878 -12.061 36 HA THR 36 HA THR 36 -0.947 9.081 -9.436 37 HB THR 36 HB THR 36 -0.755 11.093 -10.775 38 HG1 THR 36 HG1 THR 36 -3.151 10.901 -9.366 39 HG21 THR 36 HG21 THR 36 -2.633 12.017 -12.036 40 HG22 THR 36 HG22 THR 36 -3.572 10.533 -11.792 41 HG23 THR 36 HG23 THR 36 -2.084 10.508 -12.766 42 H THR 37 H THR 37 -2.112 6.665 -10.792 43 HA THR 37 HA THR 37 -4.736 6.749 -9.407 44 HB THR 37 HB THR 37 -5.945 5.650 -11.115 45 HG1 THR 37 HG1 THR 37 -5.114 4.967 -12.968 46 HG21 THR 37 HG21 THR 37 -4.456 7.865 -12.584 47 HG22 THR 37 HG22 THR 37 -5.777 8.137 -11.430 48 HG23 THR 37 HG23 THR 37 -6.081 7.236 -12.920 49 H LEU 38 H LEU 38 -5.509 4.695 -8.687 50 HA LEU 38 HA LEU 38 -3.547 2.790 -7.908 51 HB2 LEU 38 HB2 LEU 38 -6.542 2.451 -8.228 52 HB3 LEU 38 HB3 LEU 38 -5.498 1.239 -7.515 53 HG LEU 38 HG LEU 38 -5.884 4.047 -6.406 54 HD11 LEU 38 HD11 LEU 38 -7.917 2.544 -6.307 55 HD12 LEU 38 HD12 LEU 38 -7.281 3.010 -4.731 56 HD13 LEU 38 HD13 LEU 38 -6.959 1.385 -5.375 57 HD21 LEU 38 HD21 LEU 38 -4.804 3.093 -4.378 58 HD22 LEU 38 HD22 LEU 38 -3.697 3.057 -5.753 59 HD23 LEU 38 HD23 LEU 38 -4.517 1.568 -5.250 60 H GLY 39 H GLY 39 -5.431 2.862 -10.943 61 HA2 GLY 39 HA2 GLY 39 -4.985 0.341 -11.981 62 HA3 GLY 39 HA3 GLY 39 -4.963 1.818 -12.949 63 H LYS 40 H LYS 40 -2.456 2.801 -11.589 64 HA LYS 40 HA LYS 40 -0.458 0.977 -12.897 65 HB2 LYS 40 HB2 LYS 40 -0.217 3.920 -12.164 66 HB3 LYS 40 HB3 LYS 40 1.039 2.903 -12.900 67 HG2 LYS 40 HG2 LYS 40 -0.659 2.397 -14.766 68 HG3 LYS 40 HG3 LYS 40 -1.669 3.666 -14.092 69 HD2 LYS 40 HD2 LYS 40 -0.458 4.459 -16.003 70 HD3 LYS 40 HD3 LYS 40 0.081 5.348 -14.575 71 HE2 LYS 40 HE2 LYS 40 2.163 4.130 -14.496 72 HE3 LYS 40 HE3 LYS 40 1.549 2.898 -15.603 73 HZ1 LYS 40 HZ1 LYS 40 2.987 4.311 -16.802 74 HZ2 LYS 40 HZ2 LYS 40 2.185 5.698 -16.367 75 HZ3 LYS 40 HZ3 LYS 40 1.466 4.587 -17.338 76 H LEU 41 H LEU 41 -1.008 2.783 -9.839 77 HA LEU 41 HA LEU 41 1.349 1.846 -8.593 78 HB2 LEU 41 HB2 LEU 41 0.033 3.745 -7.751 79 HB3 LEU 41 HB3 LEU 41 -1.294 2.655 -7.329 80 HG LEU 41 HG LEU 41 0.192 1.486 -5.708 81 HD11 LEU 41 HD11 LEU 41 2.425 1.977 -6.644 82 HD12 LEU 41 HD12 LEU 41 2.298 2.550 -4.982 83 HD13 LEU 41 HD13 LEU 41 2.182 3.711 -6.323 84 HD21 LEU 41 HD21 LEU 41 0.058 4.469 -5.249 85 HD22 LEU 41 HD22 LEU 41 0.228 3.190 -4.012 86 HD23 LEU 41 HD23 LEU 41 -1.263 3.305 -4.973 87 H ASP 42 H ASP 42 -1.895 0.266 -8.628 88 HA ASP 42 HA ASP 42 -1.239 -1.869 -6.814 89 HB2 ASP 42 HB2 ASP 42 -3.545 -1.361 -7.354 90 HB3 ASP 42 HB3 ASP 42 -3.239 -1.549 -9.080 91 H GLU 43 H GLU 43 -0.566 -1.472 -10.247 92 HA GLU 43 HA GLU 43 0.280 -4.234 -10.607 93 HB2 GLU 43 HB2 GLU 43 -0.556 -2.379 -12.327 94 HB3 GLU 43 HB3 GLU 43 1.163 -2.011 -12.458 95 HG2 GLU 43 HG2 GLU 43 1.651 -4.300 -13.140 96 HG3 GLU 43 HG3 GLU 43 0.008 -4.821 -12.748 97 H ARG 44 H ARG 44 1.895 -1.199 -9.707 98 HA ARG 44 HA ARG 44 4.564 -2.417 -9.612 99 HB2 ARG 44 HB2 ARG 44 4.027 0.096 -9.889 100 HB3 ARG 44 HB3 ARG 44 3.762 0.107 -8.144 101 HG2 ARG 44 HG2 ARG 44 6.028 -0.737 -7.734 102 HG3 ARG 44 HG3 ARG 44 6.305 -1.000 -9.456 103 HD2 ARG 44 HD2 ARG 44 5.835 1.730 -8.201 104 HD3 ARG 44 HD3 ARG 44 7.416 1.011 -8.494 105 HE ARG 44 HE ARG 44 5.466 1.940 -10.555 106 HH11 ARG 44 HH11 ARG 44 8.763 0.662 -10.029 107 HH12 ARG 44 HH12 ARG 44 9.268 1.361 -11.565 108 HH21 ARG 44 HH21 ARG 44 6.300 2.562 -12.553 109 HH22 ARG 44 HH22 ARG 44 8.008 2.267 -12.853 110 H LEU 45 H LEU 45 1.960 -1.853 -7.177 111 HA LEU 45 HA LEU 45 3.544 -2.841 -4.979 112 HB2 LEU 45 HB2 LEU 45 0.560 -2.503 -5.397 113 HB3 LEU 45 HB3 LEU 45 1.255 -3.047 -3.873 114 HG LEU 45 HG LEU 45 1.954 -0.378 -5.182 115 HD11 LEU 45 HD11 LEU 45 0.094 -0.998 -2.862 116 HD12 LEU 45 HD12 LEU 45 -0.408 -0.458 -4.477 117 HD13 LEU 45 HD13 LEU 45 0.544 0.616 -3.430 118 HD21 LEU 45 HD21 LEU 45 2.555 -1.505 -2.422 119 HD22 LEU 45 HD22 LEU 45 2.799 0.176 -2.911 120 HD23 LEU 45 HD23 LEU 45 3.734 -1.100 -3.690 121 H ARG 46 H ARG 46 1.376 -4.594 -7.226 122 HA ARG 46 HA ARG 46 1.765 -7.200 -5.990 123 HB2 ARG 46 HB2 ARG 46 1.218 -6.333 -8.858 124 HB3 ARG 46 HB3 ARG 46 1.317 -8.032 -8.358 125 HG2 ARG 46 HG2 ARG 46 -0.560 -7.749 -6.817 126 HG3 ARG 46 HG3 ARG 46 -0.616 -6.015 -7.148 127 HD2 ARG 46 HD2 ARG 46 -0.929 -6.771 -9.655 128 HD3 ARG 46 HD3 ARG 46 -1.407 -8.316 -8.946 129 HE ARG 46 HE ARG 46 -2.704 -5.633 -8.569 130 HH11 ARG 46 HH11 ARG 46 -3.282 -9.145 -8.480 131 HH12 ARG 46 HH12 ARG 46 -4.956 -8.834 -8.058 132 HH21 ARG 46 HH21 ARG 46 -4.642 -5.446 -7.876 133 HH22 ARG 46 HH22 ARG 46 -5.729 -6.868 -7.773 134 H ASN 47 H ASN 47 3.757 -5.248 -8.196 135 HA ASN 47 HA ASN 47 5.824 -7.301 -8.467 136 HB2 ASN 47 HB2 ASN 47 5.631 -4.377 -9.180 137 HB3 ASN 47 HB3 ASN 47 7.198 -5.135 -9.035 138 HD21 ASN 47 HD21 ASN 47 4.559 -4.635 -11.148 139 HD22 ASN 47 HD22 ASN 47 5.186 -5.725 -12.389 140 H TYR 48 H TYR 48 5.528 -4.438 -6.221 141 HA TYR 48 HA TYR 48 7.808 -5.078 -4.727 142 HB2 TYR 48 HB2 TYR 48 5.209 -3.777 -3.947 143 HB3 TYR 48 HB3 TYR 48 6.419 -4.094 -2.812 144 HD1 TYR 48 HD1 TYR 48 8.495 -2.829 -2.664 145 HD2 TYR 48 HD2 TYR 48 5.364 -1.762 -5.393 146 HE1 TYR 48 HE1 TYR 48 9.187 -0.431 -2.526 147 HE2 TYR 48 HE2 TYR 48 6.026 0.624 -5.233 148 HH TYR 48 HH TYR 48 8.652 1.713 -3.074 149 H LEU 49 H LEU 49 4.660 -6.675 -4.454 150 HA LEU 49 HA LEU 49 5.524 -8.183 -2.150 151 HB2 LEU 49 HB2 LEU 49 3.239 -8.164 -4.052 152 HB3 LEU 49 HB3 LEU 49 3.660 -9.785 -3.549 153 HG LEU 49 HG LEU 49 3.198 -7.504 -1.607 154 HD11 LEU 49 HD11 LEU 49 1.012 -8.652 -1.164 155 HD12 LEU 49 HD12 LEU 49 1.330 -9.741 -2.528 156 HD13 LEU 49 HD13 LEU 49 1.113 -7.997 -2.810 157 HD21 LEU 49 HD21 LEU 49 2.915 -9.300 0.063 158 HD22 LEU 49 HD22 LEU 49 4.521 -9.284 -0.637 159 HD23 LEU 49 HD23 LEU 49 3.353 -10.507 -1.169 160 H LYS 50 H LYS 50 5.638 -9.066 -5.636 161 HA LYS 50 HA LYS 50 6.917 -11.629 -5.113 162 HB2 LYS 50 HB2 LYS 50 6.910 -9.900 -7.613 163 HB3 LYS 50 HB3 LYS 50 7.415 -11.595 -7.487 164 HG2 LYS 50 HG2 LYS 50 5.222 -12.370 -7.057 165 HG3 LYS 50 HG3 LYS 50 4.577 -10.744 -6.808 166 HD2 LYS 50 HD2 LYS 50 5.684 -11.764 -9.464 167 HD3 LYS 50 HD3 LYS 50 3.971 -11.747 -9.012 168 HE2 LYS 50 HE2 LYS 50 4.116 -9.276 -8.657 169 HE3 LYS 50 HE3 LYS 50 5.783 -9.295 -9.257 170 HZ1 LYS 50 HZ1 LYS 50 4.038 -8.728 -10.924 171 HZ2 LYS 50 HZ2 LYS 50 3.442 -10.235 -10.809 172 HZ3 LYS 50 HZ3 LYS 50 4.981 -10.019 -11.388 173 H LYS 51 H LYS 51 8.196 -8.409 -5.878 174 HA LYS 51 HA LYS 51 10.971 -9.181 -5.976 175 HB2 LYS 51 HB2 LYS 51 9.849 -7.488 -7.377 176 HB3 LYS 51 HB3 LYS 51 9.626 -6.473 -5.947 177 HG2 LYS 51 HG2 LYS 51 12.009 -6.282 -5.652 178 HG3 LYS 51 HG3 LYS 51 12.307 -7.511 -6.875 179 HD2 LYS 51 HD2 LYS 51 11.527 -6.079 -8.658 180 HD3 LYS 51 HD3 LYS 51 10.997 -4.854 -7.491 181 HE2 LYS 51 HE2 LYS 51 13.314 -4.545 -6.714 182 HE3 LYS 51 HE3 LYS 51 13.883 -5.803 -7.811 183 HZ1 LYS 51 HZ1 LYS 51 12.527 -3.336 -8.752 184 HZ2 LYS 51 HZ2 LYS 51 14.167 -3.485 -8.606 185 HZ3 LYS 51 HZ3 LYS 51 13.339 -4.442 -9.673 186 H GLY 52 H GLY 52 8.833 -8.296 -3.349 187 HA2 GLY 52 HA2 GLY 52 11.190 -7.712 -1.601 188 HA3 GLY 52 HA3 GLY 52 9.631 -6.944 -1.490 189 H THR 53 H THR 53 8.804 -10.164 -1.936 190 HA THR 53 HA THR 53 9.392 -10.976 0.874 191 HB THR 53 HB THR 53 7.334 -12.118 0.981 192 HG1 THR 53 HG1 THR 53 6.831 -11.225 -1.699 193 HG21 THR 53 HG21 THR 53 5.701 -10.397 0.959 194 HG22 THR 53 HG22 THR 53 6.678 -9.417 -0.178 195 HG23 THR 53 HG23 THR 53 7.245 -9.714 1.472 196 H LYS 54 H LYS 54 9.291 -13.318 1.272 197 HA LYS 54 HA LYS 54 10.891 -14.804 -0.633 198 HB2 LYS 54 HB2 LYS 54 9.520 -15.914 1.834 199 HB3 LYS 54 HB3 LYS 54 10.932 -16.556 1.007 200 HG2 LYS 54 HG2 LYS 54 12.272 -14.602 1.743 201 HG3 LYS 54 HG3 LYS 54 10.847 -13.894 2.510 202 HD2 LYS 54 HD2 LYS 54 10.715 -16.129 3.867 203 HD3 LYS 54 HD3 LYS 54 12.389 -16.359 3.327 204 HE2 LYS 54 HE2 LYS 54 12.736 -15.242 5.341 205 HE3 LYS 54 HE3 LYS 54 12.706 -13.882 4.212 206 HZ1 LYS 54 HZ1 LYS 54 10.496 -14.812 5.968 207 HZ2 LYS 54 HZ2 LYS 54 10.237 -13.734 4.783 208 HZ3 LYS 54 HZ3 LYS 54 11.265 -13.362 6.025 209 H ASN 55 H ASN 55 7.491 -14.845 0.359 210 HA ASN 55 HA ASN 55 6.742 -15.970 -2.244 211 HB2 ASN 55 HB2 ASN 55 6.842 -18.025 -0.902 212 HB3 ASN 55 HB3 ASN 55 6.033 -17.211 0.447 213 HD21 ASN 55 HD21 ASN 55 4.211 -18.425 0.651 214 HD22 ASN 55 HD22 ASN 55 2.991 -18.599 -0.608 215 H SER 56 H SER 56 5.398 -14.554 -3.012 216 HA SER 56 HA SER 56 3.730 -12.838 -1.358 217 HB2 SER 56 HB2 SER 56 3.030 -11.906 -3.555 218 HB3 SER 56 HB3 SER 56 4.784 -11.898 -3.277 219 HG SER 56 HG SER 56 5.018 -13.649 -4.630 220 H ALA 57 H ALA 57 3.140 -15.983 -2.756 221 HA ALA 57 HA ALA 57 0.438 -15.561 -3.575 222 HB1 ALA 57 HB1 ALA 57 0.382 -18.017 -3.774 223 HB2 ALA 57 HB2 ALA 57 1.901 -18.140 -2.878 224 HB3 ALA 57 HB3 ALA 57 1.864 -17.343 -4.474 225 H GLN 58 H GLN 58 1.623 -15.924 -0.391 226 HA GLN 58 HA GLN 58 -0.780 -17.027 0.815 227 HB2 GLN 58 HB2 GLN 58 0.333 -16.467 2.915 228 HB3 GLN 58 HB3 GLN 58 1.441 -17.306 1.825 229 HG2 GLN 58 HG2 GLN 58 2.444 -15.073 1.203 230 HG3 GLN 58 HG3 GLN 58 1.406 -14.304 2.379 231 HE21 GLN 58 HE21 GLN 58 4.457 -15.108 1.876 232 HE22 GLN 58 HE22 GLN 58 4.922 -15.517 3.517 233 H PHE 59 H PHE 59 0.070 -13.895 -0.376 234 HA PHE 59 HA PHE 59 -1.571 -12.404 1.542 235 HB2 PHE 59 HB2 PHE 59 0.096 -11.544 -0.818 236 HB3 PHE 59 HB3 PHE 59 -0.867 -10.455 0.167 237 HD1 PHE 59 HD1 PHE 59 -0.332 -10.021 2.529 238 HD2 PHE 59 HD2 PHE 59 2.185 -12.543 0.135 239 HE1 PHE 59 HE1 PHE 59 1.453 -9.856 4.242 240 HE2 PHE 59 HE2 PHE 59 3.990 -12.364 1.825 241 HZ PHE 59 HZ PHE 59 3.626 -11.023 3.879 242 H GLU 60 H GLU 60 -3.344 -11.148 1.075 243 HA GLU 60 HA GLU 60 -5.095 -12.227 -1.138 244 HB2 GLU 60 HB2 GLU 60 -5.580 -13.437 0.819 245 HB3 GLU 60 HB3 GLU 60 -5.491 -12.008 1.859 246 HG2 GLU 60 HG2 GLU 60 -7.568 -11.131 0.981 247 HG3 GLU 60 HG3 GLU 60 -7.642 -12.407 -0.253 248 H LYS 61 H LYS 61 -4.424 -9.482 1.036 249 HA LYS 61 HA LYS 61 -5.401 -7.700 -1.042 250 HB2 LYS 61 HB2 LYS 61 -7.093 -6.584 0.097 251 HB3 LYS 61 HB3 LYS 61 -7.440 -8.276 0.379 252 HG2 LYS 61 HG2 LYS 61 -6.466 -8.068 2.693 253 HG3 LYS 61 HG3 LYS 61 -6.138 -6.350 2.378 254 HD2 LYS 61 HD2 LYS 61 -8.465 -5.859 2.045 255 HD3 LYS 61 HD3 LYS 61 -8.861 -7.578 2.043 256 HE2 LYS 61 HE2 LYS 61 -8.116 -7.729 4.434 257 HE3 LYS 61 HE3 LYS 61 -7.881 -5.968 4.402 258 HZ1 LYS 61 HZ1 LYS 61 -10.444 -7.347 3.845 259 HZ2 LYS 61 HZ2 LYS 61 -10.208 -5.697 3.924 260 HZ3 LYS 61 HZ3 LYS 61 -10.098 -6.645 5.268 261 H MET 62 H MET 62 -5.287 -5.438 -0.267 262 HA MET 62 HA MET 62 -3.144 -4.856 1.654 263 HB2 MET 62 HB2 MET 62 -1.763 -3.607 0.098 264 HB3 MET 62 HB3 MET 62 -1.881 -5.297 -0.381 265 HG2 MET 62 HG2 MET 62 -3.357 -4.801 -2.197 266 HG3 MET 62 HG3 MET 62 -3.619 -3.145 -1.628 267 HE1 MET 62 HE1 MET 62 -1.739 -2.454 -4.893 268 HE2 MET 62 HE2 MET 62 -3.314 -2.612 -4.094 269 HE3 MET 62 HE3 MET 62 -2.497 -4.048 -4.763 270 H VAL 63 H VAL 63 -2.782 -2.576 1.984 271 HA VAL 63 HA VAL 63 -4.890 -0.722 1.114 272 HB VAL 63 HB VAL 63 -5.696 -1.700 3.258 273 HG11 VAL 63 HG11 VAL 63 -4.564 -1.436 5.283 274 HG12 VAL 63 HG12 VAL 63 -3.306 -0.393 4.532 275 HG13 VAL 63 HG13 VAL 63 -3.379 -2.107 4.165 276 HG21 VAL 63 HG21 VAL 63 -6.059 0.335 4.535 277 HG22 VAL 63 HG22 VAL 63 -6.375 0.614 2.825 278 HG23 VAL 63 HG23 VAL 63 -4.871 1.216 3.566 279 H ILE 64 H ILE 64 -4.220 1.408 1.088 280 HA ILE 64 HA ILE 64 -1.243 1.791 1.103 281 HB ILE 64 HB ILE 64 -3.299 2.670 -0.960 282 HG12 ILE 64 HG12 ILE 64 -1.174 0.551 -1.437 283 HG13 ILE 64 HG13 ILE 64 -2.795 0.113 -0.916 284 HG21 ILE 64 HG21 ILE 64 -0.252 2.759 -1.039 285 HG22 ILE 64 HG22 ILE 64 -1.306 4.168 -0.774 286 HG23 ILE 64 HG23 ILE 64 -1.349 3.329 -2.315 287 HD11 ILE 64 HD11 ILE 64 -3.776 1.224 -2.880 288 HD12 ILE 64 HD12 ILE 64 -2.687 -0.111 -3.291 289 HD13 ILE 64 HD13 ILE 64 -2.137 1.559 -3.494 290 H LEU 65 H LEU 65 -0.573 3.624 2.059 291 HA LEU 65 HA LEU 65 -2.554 5.786 2.652 292 HB2 LEU 65 HB2 LEU 65 -0.022 5.306 4.231 293 HB3 LEU 65 HB3 LEU 65 -1.349 6.384 4.605 294 HG LEU 65 HG LEU 65 -1.365 3.356 4.743 295 HD11 LEU 65 HD11 LEU 65 -1.630 3.658 7.137 296 HD12 LEU 65 HD12 LEU 65 -1.731 5.420 6.950 297 HD13 LEU 65 HD13 LEU 65 -0.209 4.587 6.612 298 HD21 LEU 65 HD21 LEU 65 -3.621 4.109 4.062 299 HD22 LEU 65 HD22 LEU 65 -3.613 5.326 5.354 300 HD23 LEU 65 HD23 LEU 65 -3.637 3.591 5.748 301 H THR 66 H THR 66 -2.177 7.630 1.592 302 HA THR 66 HA THR 66 0.475 7.950 0.208 303 HB THR 66 HB THR 66 -0.653 9.204 -1.498 304 HG1 THR 66 HG1 THR 66 -2.209 10.270 -0.445 305 HG21 THR 66 HG21 THR 66 -0.744 6.736 -1.750 306 HG22 THR 66 HG22 THR 66 -2.105 7.572 -2.515 307 HG23 THR 66 HG23 THR 66 -2.342 6.735 -0.969 308 H GLU 67 H GLU 67 1.106 10.137 -0.290 309 HA GLU 67 HA GLU 67 1.070 12.163 1.706 310 HB2 GLU 67 HB2 GLU 67 1.433 11.958 -1.284 311 HB3 GLU 67 HB3 GLU 67 1.298 13.552 -0.591 312 HG2 GLU 67 HG2 GLU 67 3.280 11.464 0.434 313 HG3 GLU 67 HG3 GLU 67 3.644 12.524 -0.928 314 H ASN 68 H ASN 68 -0.176 14.092 1.748 315 HA ASN 68 HA ASN 68 -2.133 15.179 2.106 316 HB2 ASN 68 HB2 ASN 68 -2.781 14.242 -0.704 317 HB3 ASN 68 HB3 ASN 68 -3.529 15.602 0.111 318 HD21 ASN 68 HD21 ASN 68 -1.099 14.773 -2.010 319 HD22 ASN 68 HD22 ASN 68 0.107 16.001 -1.620 320 H LYS 69 H LYS 69 -2.059 12.664 3.230 321 HA LYS 69 HA LYS 69 -3.280 11.145 4.375 322 HB2 LYS 69 HB2 LYS 69 -5.429 13.280 4.320 323 HB3 LYS 69 HB3 LYS 69 -5.192 12.022 5.538 324 HG2 LYS 69 HG2 LYS 69 -2.896 13.057 6.003 325 HG3 LYS 69 HG3 LYS 69 -3.413 14.429 5.010 326 HD2 LYS 69 HD2 LYS 69 -4.652 13.433 7.601 327 HD3 LYS 69 HD3 LYS 69 -3.785 14.948 7.324 328 HE2 LYS 69 HE2 LYS 69 -5.631 15.625 5.713 329 HE3 LYS 69 HE3 LYS 69 -6.498 14.154 6.175 330 HZ1 LYS 69 HZ1 LYS 69 -5.851 16.465 7.903 331 HZ2 LYS 69 HZ2 LYS 69 -6.393 15.030 8.525 332 HZ3 LYS 69 HZ3 LYS 69 -7.327 15.918 7.499 333 H GLY 70 H GLY 70 -3.608 10.719 1.475 334 HA2 GLY 70 HA2 GLY 70 -6.290 9.645 1.124 335 HA3 GLY 70 HA3 GLY 70 -4.887 9.265 0.134 336 H TYR 71 H TYR 71 -6.989 7.598 1.201 337 HA TYR 71 HA TYR 71 -5.410 5.377 2.362 338 HB2 TYR 71 HB2 TYR 71 -6.485 6.459 4.296 339 HB3 TYR 71 HB3 TYR 71 -8.047 6.390 3.504 340 HD1 TYR 71 HD1 TYR 71 -9.014 4.010 2.934 341 HD2 TYR 71 HD2 TYR 71 -5.855 4.694 5.817 342 HE1 TYR 71 HE1 TYR 71 -9.468 1.806 3.977 343 HE2 TYR 71 HE2 TYR 71 -6.383 2.545 6.886 344 HH TYR 71 HH TYR 71 -8.770 0.246 5.546 345 H TYR 72 H TYR 72 -5.750 3.651 1.103 346 HA TYR 72 HA TYR 72 -8.287 3.279 -0.447 347 HB2 TYR 72 HB2 TYR 72 -5.480 3.099 -1.619 348 HB3 TYR 72 HB3 TYR 72 -7.001 2.909 -2.466 349 HD1 TYR 72 HD1 TYR 72 -8.427 4.893 -2.960 350 HD2 TYR 72 HD2 TYR 72 -4.545 5.285 -1.117 351 HE1 TYR 72 HE1 TYR 72 -8.419 7.306 -3.499 352 HE2 TYR 72 HE2 TYR 72 -4.534 7.722 -1.674 353 HH TYR 72 HH TYR 72 -7.311 9.277 -3.302 354 H THR 73 H THR 73 -8.747 1.053 -0.896 355 HA THR 73 HA THR 73 -6.683 -0.946 -0.145 356 HB THR 73 HB THR 73 -8.042 -0.681 1.856 357 HG1 THR 73 HG1 THR 73 -7.208 -2.762 1.094 358 HG21 THR 73 HG21 THR 73 -10.407 -1.714 0.236 359 HG22 THR 73 HG22 THR 73 -10.227 -0.043 0.817 360 HG23 THR 73 HG23 THR 73 -10.363 -1.368 1.975 361 H VAL 74 H VAL 74 -6.676 -2.843 -1.240 362 HA VAL 74 HA VAL 74 -8.628 -3.299 -3.419 363 HB VAL 74 HB VAL 74 -5.644 -3.165 -4.005 364 HG11 VAL 74 HG11 VAL 74 -6.392 -3.101 -6.351 365 HG12 VAL 74 HG12 VAL 74 -8.095 -3.141 -5.833 366 HG13 VAL 74 HG13 VAL 74 -7.029 -4.535 -5.561 367 HG21 VAL 74 HG21 VAL 74 -6.244 -0.850 -3.527 368 HG22 VAL 74 HG22 VAL 74 -7.685 -0.979 -4.566 369 HG23 VAL 74 HG23 VAL 74 -6.048 -1.065 -5.262 370 H TYR 75 H TYR 75 -8.667 -5.487 -4.061 371 HA TYR 75 HA TYR 75 -7.277 -7.361 -2.223 372 HB2 TYR 75 HB2 TYR 75 -9.661 -7.612 -4.056 373 HB3 TYR 75 HB3 TYR 75 -8.820 -9.025 -3.436 374 HD1 TYR 75 HD1 TYR 75 -10.519 -5.868 -2.282 375 HD2 TYR 75 HD2 TYR 75 -9.210 -9.852 -1.253 376 HE1 TYR 75 HE1 TYR 75 -11.677 -5.687 -0.091 377 HE2 TYR 75 HE2 TYR 75 -10.404 -9.679 0.912 378 HH TYR 75 HH TYR 75 -11.532 -8.324 2.323 379 H LEU 76 H LEU 76 -5.936 -8.932 -2.820 380 HA LEU 76 HA LEU 76 -4.510 -8.670 -5.405 381 HB2 LEU 76 HB2 LEU 76 -3.970 -10.264 -2.871 382 HB3 LEU 76 HB3 LEU 76 -2.914 -10.258 -4.274 383 HG LEU 76 HG LEU 76 -3.636 -7.657 -2.846 384 HD11 LEU 76 HD11 LEU 76 -1.553 -7.849 -1.610 385 HD12 LEU 76 HD12 LEU 76 -1.304 -9.497 -2.251 386 HD13 LEU 76 HD13 LEU 76 -2.674 -9.143 -1.172 387 HD21 LEU 76 HD21 LEU 76 -2.595 -7.482 -5.105 388 HD22 LEU 76 HD22 LEU 76 -1.229 -8.472 -4.535 389 HD23 LEU 76 HD23 LEU 76 -1.543 -6.865 -3.833 390 H ASN 77 H ASN 77 -7.000 -10.591 -4.034 391 HA ASN 77 HA ASN 77 -6.791 -13.075 -5.330 392 HB2 ASN 77 HB2 ASN 77 -9.210 -11.295 -4.730 393 HB3 ASN 77 HB3 ASN 77 -9.359 -12.944 -5.294 394 HD21 ASN 77 HD21 ASN 77 -10.572 -12.155 -3.008 395 HD22 ASN 77 HD22 ASN 77 -9.829 -12.990 -1.658 396 H THR 78 H THR 78 -7.554 -9.967 -6.807 397 HA THR 78 HA THR 78 -7.994 -11.105 -9.494 398 HB THR 78 HB THR 78 -10.045 -9.668 -9.673 399 HG1 THR 78 HG1 THR 78 -10.965 -8.899 -7.742 400 HG21 THR 78 HG21 THR 78 -10.427 -11.512 -7.293 401 HG22 THR 78 HG22 THR 78 -10.317 -12.085 -8.977 402 HG23 THR 78 HG23 THR 78 -11.627 -10.996 -8.490 403 HA PRO 79 HA PRO 79 -6.229 -7.019 -10.515 404 HB2 PRO 79 HB2 PRO 79 -7.398 -6.551 -12.924 405 HB3 PRO 79 HB3 PRO 79 -6.113 -7.785 -12.709 406 HG2 PRO 79 HG2 PRO 79 -9.098 -8.224 -12.685 407 HG3 PRO 79 HG3 PRO 79 -7.881 -9.099 -13.684 408 HD2 PRO 79 HD2 PRO 79 -8.861 -10.041 -11.336 409 HD3 PRO 79 HD3 PRO 79 -7.162 -10.315 -11.732 410 H LEU 80 H LEU 80 -6.968 -4.876 -10.357 411 HA LEU 80 HA LEU 80 -9.421 -4.521 -8.933 412 HB2 LEU 80 HB2 LEU 80 -8.762 -2.354 -8.532 413 HB3 LEU 80 HB3 LEU 80 -7.267 -3.270 -8.575 414 HG LEU 80 HG LEU 80 -8.326 -1.425 -10.764 415 HD11 LEU 80 HD11 LEU 80 -6.514 0.037 -10.123 416 HD12 LEU 80 HD12 LEU 80 -5.908 -1.141 -8.939 417 HD13 LEU 80 HD13 LEU 80 -7.463 -0.333 -8.678 418 HD21 LEU 80 HD21 LEU 80 -5.689 -2.962 -10.618 419 HD22 LEU 80 HD22 LEU 80 -6.070 -1.689 -11.794 420 HD23 LEU 80 HD23 LEU 80 -6.985 -3.188 -11.824 421 H ALA 81 H ALA 81 -11.206 -3.199 -9.394 422 HA ALA 81 HA ALA 81 -12.340 -3.590 -11.984 423 HB1 ALA 81 HB1 ALA 81 -13.260 -1.883 -9.622 424 HB2 ALA 81 HB2 ALA 81 -13.617 -3.607 -9.871 425 HB3 ALA 81 HB3 ALA 81 -14.274 -2.399 -10.986 426 H GLU 82 H GLU 82 -13.215 -2.011 -13.458 427 HA GLU 82 HA GLU 82 -11.627 0.112 -14.335 428 HB2 GLU 82 HB2 GLU 82 -13.586 0.891 -15.570 429 HB3 GLU 82 HB3 GLU 82 -13.306 -0.838 -15.746 430 HG2 GLU 82 HG2 GLU 82 -15.172 -1.372 -14.314 431 HG3 GLU 82 HG3 GLU 82 -15.346 0.305 -13.791 432 H ASP 83 H ASP 83 -14.023 0.271 -11.767 433 HA ASP 83 HA ASP 83 -14.192 3.150 -11.549 434 HB2 ASP 83 HB2 ASP 83 -14.696 0.932 -9.537 435 HB3 ASP 83 HB3 ASP 83 -15.229 2.610 -9.354 436 H ARG 84 H ARG 84 -11.705 0.990 -10.772 437 HA ARG 84 HA ARG 84 -10.360 2.871 -8.858 438 HB2 ARG 84 HB2 ARG 84 -10.155 -0.168 -9.039 439 HB3 ARG 84 HB3 ARG 84 -9.289 0.886 -7.912 440 HG2 ARG 84 HG2 ARG 84 -11.470 1.664 -6.995 441 HG3 ARG 84 HG3 ARG 84 -12.308 0.498 -8.032 442 HD2 ARG 84 HD2 ARG 84 -11.107 -1.344 -6.878 443 HD3 ARG 84 HD3 ARG 84 -10.296 -0.168 -5.846 444 HE ARG 84 HE ARG 84 -12.401 0.397 -4.801 445 HH11 ARG 84 HH11 ARG 84 -12.731 -2.559 -6.742 446 HH12 ARG 84 HH12 ARG 84 -14.354 -2.806 -6.142 447 HH21 ARG 84 HH21 ARG 84 -14.323 -0.054 -4.075 448 HH22 ARG 84 HH22 ARG 84 -15.237 -1.444 -4.653 449 H LYS 85 H LYS 85 -10.023 1.093 -11.878 450 HA LYS 85 HA LYS 85 -7.220 1.454 -12.358 451 HB2 LYS 85 HB2 LYS 85 -9.670 1.358 -14.152 452 HB3 LYS 85 HB3 LYS 85 -8.037 1.563 -14.807 453 HG2 LYS 85 HG2 LYS 85 -7.296 -0.532 -13.758 454 HG3 LYS 85 HG3 LYS 85 -8.907 -0.780 -13.060 455 HD2 LYS 85 HD2 LYS 85 -9.891 -0.878 -15.324 456 HD3 LYS 85 HD3 LYS 85 -8.287 -0.593 -16.038 457 HE2 LYS 85 HE2 LYS 85 -7.434 -2.663 -15.104 458 HE3 LYS 85 HE3 LYS 85 -8.916 -2.926 -14.174 459 HZ1 LYS 85 HZ1 LYS 85 -8.760 -4.213 -16.261 460 HZ2 LYS 85 HZ2 LYS 85 -8.903 -2.802 -17.134 461 HZ3 LYS 85 HZ3 LYS 85 -10.125 -3.294 -16.174 462 H ASN 86 H ASN 86 -9.864 3.702 -12.487 463 HA ASN 86 HA ASN 86 -8.103 5.890 -13.496 464 HB2 ASN 86 HB2 ASN 86 -11.063 5.264 -13.859 465 HB3 ASN 86 HB3 ASN 86 -10.283 6.724 -14.442 466 HD21 ASN 86 HD21 ASN 86 -8.194 6.261 -15.831 467 HD22 ASN 86 HD22 ASN 86 -8.435 4.954 -16.996 468 H VAL 87 H VAL 87 -9.053 5.040 -10.517 469 HA VAL 87 HA VAL 87 -10.293 7.519 -9.601 470 HB VAL 87 HB VAL 87 -10.483 5.246 -8.491 471 HG11 VAL 87 HG11 VAL 87 -8.891 4.530 -6.873 472 HG12 VAL 87 HG12 VAL 87 -7.835 5.921 -7.163 473 HG13 VAL 87 HG13 VAL 87 -8.032 4.689 -8.421 474 HG21 VAL 87 HG21 VAL 87 -11.260 7.316 -7.420 475 HG22 VAL 87 HG22 VAL 87 -9.641 7.591 -6.736 476 HG23 VAL 87 HG23 VAL 87 -10.605 6.188 -6.230 477 H GLU 88 H GLU 88 -9.282 9.404 -9.001 478 HA GLU 88 HA GLU 88 -6.410 9.672 -9.484 479 HB2 GLU 88 HB2 GLU 88 -8.511 11.656 -8.490 480 HB3 GLU 88 HB3 GLU 88 -6.816 12.028 -8.751 481 HG2 GLU 88 HG2 GLU 88 -7.801 12.794 -10.688 482 HG3 GLU 88 HG3 GLU 88 -7.083 11.259 -11.157 483 H LEU 89 H LEU 89 -4.879 9.251 -8.081 484 HA LEU 89 HA LEU 89 -5.204 8.878 -5.230 485 HB2 LEU 89 HB2 LEU 89 -2.777 9.284 -7.040 486 HB3 LEU 89 HB3 LEU 89 -2.648 8.902 -5.341 487 HG LEU 89 HG LEU 89 -3.956 7.125 -7.428 488 HD11 LEU 89 HD11 LEU 89 -2.029 5.656 -7.119 489 HD12 LEU 89 HD12 LEU 89 -1.332 6.783 -5.934 490 HD13 LEU 89 HD13 LEU 89 -1.489 7.262 -7.631 491 HD21 LEU 89 HD21 LEU 89 -3.411 6.641 -4.468 492 HD22 LEU 89 HD22 LEU 89 -3.875 5.386 -5.627 493 HD23 LEU 89 HD23 LEU 89 -5.003 6.689 -5.261 494 H LEU 90 H LEU 90 -4.972 10.270 -3.568 495 HA LEU 90 HA LEU 90 -4.932 13.112 -3.919 496 HB2 LEU 90 HB2 LEU 90 -4.712 11.204 -1.577 497 HB3 LEU 90 HB3 LEU 90 -4.549 12.933 -1.319 498 HG LEU 90 HG LEU 90 -6.958 11.843 -2.812 499 HD11 LEU 90 HD11 LEU 90 -8.167 11.939 -0.636 500 HD12 LEU 90 HD12 LEU 90 -6.615 12.158 0.196 501 HD13 LEU 90 HD13 LEU 90 -6.959 10.661 -0.713 502 HD21 LEU 90 HD21 LEU 90 -6.530 14.340 -1.111 503 HD22 LEU 90 HD22 LEU 90 -8.003 13.909 -2.004 504 HD23 LEU 90 HD23 LEU 90 -6.523 14.297 -2.888 505 H GLY 91 H GLY 91 -2.276 10.880 -3.567 506 HA2 GLY 91 HA2 GLY 91 -0.300 12.864 -4.231 507 HA3 GLY 91 HA3 GLY 91 -0.244 12.469 -2.522 508 H LYS 92 H LYS 92 2.007 11.831 -3.459 509 HA LYS 92 HA LYS 92 2.408 9.308 -4.800 510 HB2 LYS 92 HB2 LYS 92 4.040 11.197 -3.126 511 HB3 LYS 92 HB3 LYS 92 4.561 9.534 -3.145 512 HG2 LYS 92 HG2 LYS 92 5.755 10.655 -4.841 513 HG3 LYS 92 HG3 LYS 92 4.638 9.560 -5.637 514 HD2 LYS 92 HD2 LYS 92 3.191 11.366 -6.303 515 HD3 LYS 92 HD3 LYS 92 4.033 12.526 -5.246 516 HE2 LYS 92 HE2 LYS 92 6.065 12.352 -6.541 517 HE3 LYS 92 HE3 LYS 92 5.399 11.054 -7.532 518 HZ1 LYS 92 HZ1 LYS 92 5.319 13.301 -8.616 519 HZ2 LYS 92 HZ2 LYS 92 4.268 13.816 -7.486 520 HZ3 LYS 92 HZ3 LYS 92 3.859 12.598 -8.528 521 H MET 93 H MET 93 2.684 7.234 -4.061 522 HA MET 93 HA MET 93 1.495 6.288 -1.633 523 HB2 MET 93 HB2 MET 93 2.047 4.947 -3.682 524 HB3 MET 93 HB3 MET 93 3.752 5.001 -3.245 525 HG2 MET 93 HG2 MET 93 1.632 3.954 -1.344 526 HG3 MET 93 HG3 MET 93 2.279 2.928 -2.609 527 HE1 MET 93 HE1 MET 93 4.488 1.565 -2.492 528 HE2 MET 93 HE2 MET 93 5.305 3.108 -2.808 529 HE3 MET 93 HE3 MET 93 5.867 2.050 -1.500 530 H TYR 94 H TYR 94 2.220 6.262 0.449 531 HA TYR 94 HA TYR 94 5.113 6.891 0.941 532 HB2 TYR 94 HB2 TYR 94 3.763 8.855 1.427 533 HB3 TYR 94 HB3 TYR 94 2.687 7.904 2.449 534 HD1 TYR 94 HD1 TYR 94 6.400 8.522 2.071 535 HD2 TYR 94 HD2 TYR 94 3.079 7.942 4.763 536 HE1 TYR 94 HE1 TYR 94 7.920 8.821 4.004 537 HE2 TYR 94 HE2 TYR 94 4.602 8.261 6.700 538 HH TYR 94 HH TYR 94 8.129 8.774 6.263 539 H LYS 95 H LYS 95 2.234 5.112 2.065 540 HA LYS 95 HA LYS 95 4.104 3.023 3.030 541 HB2 LYS 95 HB2 LYS 95 1.630 3.919 4.530 542 HB3 LYS 95 HB3 LYS 95 2.585 2.502 4.924 543 HG2 LYS 95 HG2 LYS 95 3.709 5.326 5.045 544 HG3 LYS 95 HG3 LYS 95 2.869 4.524 6.371 545 HD2 LYS 95 HD2 LYS 95 4.522 2.733 6.447 546 HD3 LYS 95 HD3 LYS 95 5.364 3.393 5.047 547 HE2 LYS 95 HE2 LYS 95 6.529 3.998 7.110 548 HE3 LYS 95 HE3 LYS 95 5.934 5.432 6.276 549 HZ1 LYS 95 HZ1 LYS 95 4.698 4.162 8.681 550 HZ2 LYS 95 HZ2 LYS 95 4.033 5.429 7.867 551 HZ3 LYS 95 HZ3 LYS 95 5.449 5.639 8.607 552 H THR 96 H THR 96 3.301 0.929 2.791 553 HA THR 96 HA THR 96 0.442 0.563 2.065 554 HB THR 96 HB THR 96 2.634 -0.994 0.643 555 HG1 THR 96 HG1 THR 96 2.245 1.271 0.178 556 HG21 THR 96 HG21 THR 96 0.785 -1.744 -0.823 557 HG22 THR 96 HG22 THR 96 -0.383 -0.858 0.167 558 HG23 THR 96 HG23 THR 96 0.479 -2.255 0.833 559 H TYR 97 H TYR 97 -0.430 -1.217 2.912 560 HA TYR 97 HA TYR 97 1.197 -2.955 4.735 561 HB2 TYR 97 HB2 TYR 97 -1.583 -1.847 5.305 562 HB3 TYR 97 HB3 TYR 97 -0.674 -2.919 6.313 563 HD1 TYR 97 HD1 TYR 97 -0.790 0.561 4.963 564 HD2 TYR 97 HD2 TYR 97 0.900 -2.106 7.884 565 HE1 TYR 97 HE1 TYR 97 0.401 2.461 6.043 566 HE2 TYR 97 HE2 TYR 97 2.136 -0.220 8.916 567 HH TYR 97 HH TYR 97 2.793 2.024 8.637 568 H PHE 98 H PHE 98 0.808 -5.082 4.608 569 HA PHE 98 HA PHE 98 -1.270 -6.078 2.685 570 HB2 PHE 98 HB2 PHE 98 1.627 -6.893 3.074 571 HB3 PHE 98 HB3 PHE 98 0.494 -7.716 2.033 572 HD1 PHE 98 HD1 PHE 98 2.498 -4.593 2.424 573 HD2 PHE 98 HD2 PHE 98 -0.084 -6.905 -0.129 574 HE1 PHE 98 HE1 PHE 98 3.212 -3.243 0.459 575 HE2 PHE 98 HE2 PHE 98 0.664 -5.579 -2.093 576 HZ PHE 98 HZ PHE 98 2.344 -3.779 -1.802 577 H PHE 99 H PHE 99 -2.191 -8.041 3.017 578 HA PHE 99 HA PHE 99 -1.986 -9.232 5.766 579 HB2 PHE 99 HB2 PHE 99 -4.490 -8.733 4.110 580 HB3 PHE 99 HB3 PHE 99 -4.419 -9.211 5.787 581 HD1 PHE 99 HD1 PHE 99 -4.037 -6.436 3.395 582 HD2 PHE 99 HD2 PHE 99 -4.034 -7.492 7.551 583 HE1 PHE 99 HE1 PHE 99 -4.025 -4.065 3.976 584 HE2 PHE 99 HE2 PHE 99 -4.001 -5.064 8.149 585 HZ PHE 99 HZ PHE 99 -3.898 -3.346 6.384 586 H LYS 100 H LYS 100 -2.019 -11.500 5.880 587 HA LYS 100 HA LYS 100 -2.003 -13.013 3.357 588 HB2 LYS 100 HB2 LYS 100 -1.911 -14.072 6.194 589 HB3 LYS 100 HB3 LYS 100 -1.814 -15.019 4.711 590 HG2 LYS 100 HG2 LYS 100 0.338 -14.926 5.303 591 HG3 LYS 100 HG3 LYS 100 0.215 -13.694 4.052 592 HD2 LYS 100 HD2 LYS 100 0.467 -11.920 5.610 593 HD3 LYS 100 HD3 LYS 100 0.151 -12.971 6.997 594 HE2 LYS 100 HE2 LYS 100 2.497 -13.531 5.164 595 HE3 LYS 100 HE3 LYS 100 2.636 -12.311 6.435 596 HZ1 LYS 100 HZ1 LYS 100 1.842 -15.114 6.943 597 HZ2 LYS 100 HZ2 LYS 100 2.068 -13.965 8.072 598 HZ3 LYS 100 HZ3 LYS 100 3.361 -14.520 7.169 599 H LYS 101 H LYS 101 -3.397 -14.890 3.020 600 HA LYS 101 HA LYS 101 -6.109 -14.235 2.876 601 HB2 LYS 101 HB2 LYS 101 -6.555 -16.565 2.303 602 HB3 LYS 101 HB3 LYS 101 -5.212 -15.844 1.427 603 HG2 LYS 101 HG2 LYS 101 -3.611 -17.043 2.977 604 HG3 LYS 101 HG3 LYS 101 -5.008 -17.878 3.689 605 HD2 LYS 101 HD2 LYS 101 -5.601 -18.784 1.451 606 HD3 LYS 101 HD3 LYS 101 -4.217 -17.921 0.744 607 HE2 LYS 101 HE2 LYS 101 -2.687 -19.203 2.230 608 HE3 LYS 101 HE3 LYS 101 -4.069 -20.133 2.833 609 HZ1 LYS 101 HZ1 LYS 101 -4.438 -20.962 0.602 610 HZ2 LYS 101 HZ2 LYS 101 -2.858 -21.237 1.004 611 HZ3 LYS 101 HZ3 LYS 101 -3.243 -20.006 -0.023 612 H GLY 102 H GLY 102 -7.464 -13.693 4.328 613 HA2 GLY 102 HA2 GLY 102 -9.058 -14.366 6.012 614 HA3 GLY 102 HA3 GLY 102 -7.830 -15.339 6.804 615 H GLU 103 H GLU 103 -6.074 -12.614 6.242 616 HA GLU 103 HA GLU 103 -6.420 -11.920 9.067 617 HB2 GLU 103 HB2 GLU 103 -4.346 -11.087 7.013 618 HB3 GLU 103 HB3 GLU 103 -4.290 -10.694 8.734 619 HG2 GLU 103 HG2 GLU 103 -4.330 -13.163 9.240 620 HG3 GLU 103 HG3 GLU 103 -4.167 -13.480 7.507 621 H SER 104 H SER 104 -6.390 -9.877 9.964 622 HA SER 104 HA SER 104 -7.271 -7.516 8.361 623 HB2 SER 104 HB2 SER 104 -8.523 -8.354 10.990 624 HB3 SER 104 HB3 SER 104 -8.927 -6.923 10.041 625 HG SER 104 HG SER 104 -9.439 -9.645 9.533 626 H LYS 105 H LYS 105 -4.702 -8.402 9.811 627 HA LYS 105 HA LYS 105 -4.021 -5.618 10.349 628 HB2 LYS 105 HB2 LYS 105 -4.499 -6.482 12.619 629 HB3 LYS 105 HB3 LYS 105 -3.304 -7.769 12.372 630 HG2 LYS 105 HG2 LYS 105 -1.495 -6.244 12.358 631 HG3 LYS 105 HG3 LYS 105 -2.528 -4.839 12.157 632 HD2 LYS 105 HD2 LYS 105 -1.946 -4.759 14.438 633 HD3 LYS 105 HD3 LYS 105 -3.562 -5.480 14.462 634 HE2 LYS 105 HE2 LYS 105 -2.462 -7.754 14.443 635 HE3 LYS 105 HE3 LYS 105 -0.892 -6.937 14.553 636 HZ1 LYS 105 HZ1 LYS 105 -1.600 -7.559 16.748 637 HZ2 LYS 105 HZ2 LYS 105 -3.079 -6.845 16.549 638 HZ3 LYS 105 HZ3 LYS 105 -1.697 -5.935 16.658 639 H SER 106 H SER 106 -1.914 -5.224 9.590 640 HA SER 106 HA SER 106 -1.160 -7.109 7.570 641 HB2 SER 106 HB2 SER 106 0.547 -5.639 6.859 642 HB3 SER 106 HB3 SER 106 -0.807 -4.667 7.435 643 HG SER 106 HG SER 106 1.742 -5.113 8.717 644 H SER 107 H SER 107 0.910 -8.004 7.097 645 HA SER 107 HA SER 107 2.785 -8.493 9.381 646 HB2 SER 107 HB2 SER 107 1.326 -10.563 8.729 647 HB3 SER 107 HB3 SER 107 2.228 -10.550 7.223 648 HG SER 107 HG SER 107 3.242 -10.786 9.875 649 H TYR 108 H TYR 108 2.340 -7.267 6.284 650 HA TYR 108 HA TYR 108 5.237 -7.047 5.848 651 HB2 TYR 108 HB2 TYR 108 4.667 -9.009 4.564 652 HB3 TYR 108 HB3 TYR 108 3.275 -8.210 3.853 653 HD1 TYR 108 HD1 TYR 108 6.992 -7.793 4.155 654 HD2 TYR 108 HD2 TYR 108 3.509 -7.397 1.664 655 HE1 TYR 108 HE1 TYR 108 8.444 -7.089 2.232 656 HE2 TYR 108 HE2 TYR 108 4.948 -6.742 -0.247 657 HH TYR 108 HH TYR 108 7.144 -6.541 -1.035 658 H VAL 109 H VAL 109 5.798 -5.170 5.098 659 HA VAL 109 HA VAL 109 3.853 -3.121 4.211 660 HB VAL 109 HB VAL 109 5.073 -1.643 6.060 661 HG11 VAL 109 HG11 VAL 109 2.853 -3.558 6.770 662 HG12 VAL 109 HG12 VAL 109 2.727 -1.936 6.019 663 HG13 VAL 109 HG13 VAL 109 3.349 -2.110 7.676 664 HG21 VAL 109 HG21 VAL 109 6.461 -3.656 6.752 665 HG22 VAL 109 HG22 VAL 109 4.980 -4.308 7.461 666 HG23 VAL 109 HG23 VAL 109 5.635 -2.760 8.059 667 H ILE 110 H ILE 110 4.768 -1.161 3.536 668 HA ILE 110 HA ILE 110 7.653 -1.202 2.746 669 HB ILE 110 HB ILE 110 5.319 -0.984 0.852 670 HG12 ILE 110 HG12 ILE 110 6.797 -3.520 1.563 671 HG13 ILE 110 HG13 ILE 110 5.075 -3.225 1.522 672 HG21 ILE 110 HG21 ILE 110 8.254 -1.560 0.232 673 HG22 ILE 110 HG22 ILE 110 7.506 0.049 0.133 674 HG23 ILE 110 HG23 ILE 110 6.949 -1.219 -0.930 675 HD11 ILE 110 HD11 ILE 110 5.536 -4.577 -0.314 676 HD12 ILE 110 HD12 ILE 110 6.978 -3.659 -0.753 677 HD13 ILE 110 HD13 ILE 110 5.334 -2.966 -1.010 678 H ASN 111 H ASN 111 8.470 0.839 2.458 679 HA ASN 111 HA ASN 111 6.717 3.211 2.865 680 HB2 ASN 111 HB2 ASN 111 9.758 2.949 2.779 681 HB3 ASN 111 HB3 ASN 111 8.857 4.411 3.166 682 HD21 ASN 111 HD21 ASN 111 10.219 1.523 4.485 683 HD22 ASN 111 HD22 ASN 111 9.505 1.703 6.094 684 H GLY 112 H GLY 112 6.669 4.906 1.296 685 HA2 GLY 112 HA2 GLY 112 7.724 4.241 -1.456 686 HA3 GLY 112 HA3 GLY 112 6.092 4.812 -1.156 687 HA PRO 113 HA PRO 113 9.176 8.219 -2.166 688 HB2 PRO 113 HB2 PRO 113 8.441 8.962 -4.679 689 HB3 PRO 113 HB3 PRO 113 9.323 7.442 -4.379 690 HG2 PRO 113 HG2 PRO 113 6.305 7.791 -4.592 691 HG3 PRO 113 HG3 PRO 113 7.350 6.701 -5.558 692 HD2 PRO 113 HD2 PRO 113 6.087 5.806 -3.338 693 HD3 PRO 113 HD3 PRO 113 7.770 5.302 -3.678 694 H GLY 114 H GLY 114 6.493 8.418 -0.780 695 HA2 GLY 114 HA2 GLY 114 6.030 11.340 -1.105 696 HA3 GLY 114 HA3 GLY 114 5.188 10.238 -0.008 697 H LYS 115 H LYS 115 5.857 12.065 1.474 698 HA LYS 115 HA LYS 115 8.432 11.381 2.879 699 HB2 LYS 115 HB2 LYS 115 8.563 13.298 1.340 700 HB3 LYS 115 HB3 LYS 115 7.319 14.154 2.269 701 HG2 LYS 115 HG2 LYS 115 8.901 14.128 4.235 702 HG3 LYS 115 HG3 LYS 115 10.121 13.382 3.191 703 HD2 LYS 115 HD2 LYS 115 8.804 16.103 2.780 704 HD3 LYS 115 HD3 LYS 115 10.436 15.827 3.402 705 HE2 LYS 115 HE2 LYS 115 11.126 14.844 1.242 706 HE3 LYS 115 HE3 LYS 115 9.486 15.037 0.605 707 HZ1 LYS 115 HZ1 LYS 115 9.722 17.442 0.818 708 HZ2 LYS 115 HZ2 LYS 115 10.943 16.862 -0.096 709 HZ3 LYS 115 HZ3 LYS 115 11.220 17.297 1.459 710 H THR 116 H THR 116 5.072 12.105 3.118 711 HA THR 116 HA THR 116 4.830 11.233 5.844 712 HB THR 116 HB THR 116 5.500 13.552 6.319 713 HG1 THR 116 HG1 THR 116 3.717 14.200 7.454 714 HG21 THR 116 HG21 THR 116 3.219 14.381 4.491 715 HG22 THR 116 HG22 THR 116 4.953 14.691 4.274 716 HG23 THR 116 HG23 THR 116 4.085 15.447 5.622 717 H ASN 117 H ASN 117 2.351 11.373 6.395 718 HA ASN 117 HA ASN 117 0.677 11.237 3.930 719 HB2 ASN 117 HB2 ASN 117 0.094 10.669 6.869 720 HB3 ASN 117 HB3 ASN 117 -1.047 10.495 5.536 721 HD21 ASN 117 HD21 ASN 117 -0.110 9.149 3.615 722 HD22 ASN 117 HD22 ASN 117 0.835 7.727 4.079 723 H GLU 118 H GLU 118 1.421 13.336 6.681 724 HA GLU 118 HA GLU 118 -0.790 15.204 6.083 725 HB2 GLU 118 HB2 GLU 118 1.357 15.223 8.225 726 HB3 GLU 118 HB3 GLU 118 0.155 16.504 7.998 727 HG2 GLU 118 HG2 GLU 118 -1.661 14.807 8.274 728 HG3 GLU 118 HG3 GLU 118 -0.434 13.592 8.639 729 H TYR 119 H TYR 119 0.002 15.468 3.885 730 HA TYR 119 HA TYR 119 0.820 16.814 2.254 731 HB2 TYR 119 HB2 TYR 119 0.540 19.321 3.658 732 HB3 TYR 119 HB3 TYR 119 -0.428 18.590 2.405 733 HD1 TYR 119 HD1 TYR 119 0.061 18.991 6.048 734 HD2 TYR 119 HD2 TYR 119 -2.560 17.521 2.955 735 HE1 TYR 119 HE1 TYR 119 -1.714 18.608 7.746 736 HE2 TYR 119 HE2 TYR 119 -4.356 17.171 4.657 737 HH TYR 119 HH TYR 119 -3.770 17.785 8.152 738 H ALA 120 H ALA 120 2.959 15.856 2.398 739 HA ALA 120 HA ALA 120 5.186 15.869 2.423 740 HB1 ALA 120 HB1 ALA 120 4.377 16.799 0.315 741 HB2 ALA 120 HB2 ALA 120 5.984 17.406 0.709 742 HB3 ALA 120 HB3 ALA 120 4.562 18.450 0.959 743 H TYR 121 H TYR 121 4.438 17.239 4.947 744 HA TYR 121 HA TYR 121 7.143 18.311 5.533 745 HB2 TYR 121 HB2 TYR 121 5.778 20.233 4.802 746 HB3 TYR 121 HB3 TYR 121 4.622 19.897 6.067 747 HD1 TYR 121 HD1 TYR 121 8.082 21.035 5.333 748 HD2 TYR 121 HD2 TYR 121 5.063 20.505 8.366 749 HE1 TYR 121 HE1 TYR 121 9.425 22.418 6.918 750 HE2 TYR 121 HE2 TYR 121 6.398 21.878 9.927 751 HH TYR 121 HH TYR 121 8.322 23.002 10.282 752 H1 ACE 6 H1 ACE 6 10.313 -2.099 -12.672 753 H2 ACE 6 H2 ACE 6 10.234 -0.867 -11.397 754 H3 ACE 6 H3 ACE 6 10.977 -0.478 -12.957 755 H THR 7 H THR 7 12.572 0.186 -11.106 756 HA THR 7 HA THR 7 14.537 -1.959 -10.575 757 HB THR 7 HB THR 7 14.703 -1.367 -13.000 758 HG1 THR 7 HG1 THR 7 16.858 -0.670 -11.343 759 HG21 THR 7 HG21 THR 7 14.169 1.058 -12.875 760 HG22 THR 7 HG22 THR 7 15.704 0.746 -13.695 761 HG23 THR 7 HG23 THR 7 15.703 1.350 -12.027 762 H THR 8 H THR 8 13.190 0.508 -9.205 763 HA THR 8 HA THR 8 15.705 1.578 -7.949 764 HB THR 8 HB THR 8 13.267 3.089 -8.880 765 HG1 THR 8 HG1 THR 8 14.755 4.155 -10.042 766 HG21 THR 8 HG21 THR 8 15.496 4.042 -7.050 767 HG22 THR 8 HG22 THR 8 13.749 4.039 -6.716 768 HG23 THR 8 HG23 THR 8 14.400 5.118 -7.952 769 HA PRO 9 HA PRO 9 12.469 2.193 -4.493 770 HB2 PRO 9 HB2 PRO 9 10.598 -0.110 -4.928 771 HB3 PRO 9 HB3 PRO 9 10.295 1.526 -4.281 772 HG2 PRO 9 HG2 PRO 9 9.600 0.946 -6.823 773 HG3 PRO 9 HG3 PRO 9 10.340 2.517 -6.403 774 HD2 PRO 9 HD2 PRO 9 11.673 0.105 -7.623 775 HD3 PRO 9 HD3 PRO 9 11.848 1.830 -8.018 776 H ASP 10 H ASP 10 11.775 0.957 -2.398 777 HA ASP 10 HA ASP 10 14.145 -0.222 -1.427 778 HB2 ASP 10 HB2 ASP 10 11.375 -0.052 -0.224 779 HB3 ASP 10 HB3 ASP 10 12.760 -0.672 0.667 780 HN2 TYS 11 HN2 TYS 11 11.225 -1.638 -1.939 781 HA TYS 11 HA TYS 11 10.313 -3.749 -2.110 782 HB2 TYS 11 HB2 TYS 11 13.125 -4.669 -2.738 783 HB3 TYS 11 HB3 TYS 11 11.703 -5.710 -2.750 784 HD1 TYS 11 HD1 TYS 11 9.634 -5.000 -3.966 785 HD2 TYS 11 HD2 TYS 11 13.419 -3.029 -4.569 786 HE1 TYS 11 HE1 TYS 11 8.669 -3.664 -5.741 787 HE2 TYS 11 HE2 TYS 11 12.389 -1.653 -6.328 788 H GLY 12 H GLY 12 9.882 -2.983 -0.326 789 HA2 GLY 12 HA2 GLY 12 8.882 -3.226 1.626 790 HA3 GLY 12 HA3 GLY 12 8.741 -4.864 1.043 791 H HIS 13 H HIS 13 8.423 -4.473 3.711 792 HA HIS 13 HA HIS 13 10.505 -6.301 4.658 793 HB2 HIS 13 HB2 HIS 13 10.755 -5.229 6.806 794 HB3 HIS 13 HB3 HIS 13 11.444 -4.235 5.521 795 HD1 HIS 13 HD1 HIS 13 10.009 -2.041 4.782 796 HD2 HIS 13 HD2 HIS 13 8.665 -4.069 8.252 797 HE1 HIS 13 HE1 HIS 13 8.044 -0.651 5.776 798 HE2 HIS 13 HE2 HIS 13 7.582 -1.666 8.113 799 HN2 TYS 14 HN2 TYS 14 9.832 -7.613 6.350 800 HA TYS 14 HA TYS 14 6.911 -7.642 6.871 801 HB2 TYS 14 HB2 TYS 14 9.135 -9.636 7.411 802 HB3 TYS 14 HB3 TYS 14 7.549 -9.786 8.114 803 HD1 TYS 14 HD1 TYS 14 9.143 -9.471 4.621 804 HD2 TYS 14 HD2 TYS 14 5.786 -10.829 7.006 805 HE1 TYS 14 HE1 TYS 14 8.555 -11.002 2.915 806 HE2 TYS 14 HE2 TYS 14 5.148 -12.334 5.206 807 H ASP 15 H ASP 15 5.954 -7.670 8.775 808 HA ASP 15 HA ASP 15 7.413 -6.288 10.992 809 HB2 ASP 15 HB2 ASP 15 6.158 -4.502 10.862 810 HB3 ASP 15 HB3 ASP 15 5.999 -4.930 9.202 811 H ASP 16 H ASP 16 6.278 -6.156 13.002 812 HA ASP 16 HA ASP 16 4.008 -7.980 13.444 813 HB2 ASP 16 HB2 ASP 16 6.650 -8.235 14.896 814 HB3 ASP 16 HB3 ASP 16 5.162 -8.840 15.595 815 H LYS 17 H LYS 17 4.707 -5.029 13.465 816 HA LYS 17 HA LYS 17 3.042 -4.091 15.556 817 HB2 LYS 17 HB2 LYS 17 4.653 -2.876 16.982 818 HB3 LYS 17 HB3 LYS 17 4.802 -4.620 17.132 819 HG2 LYS 17 HG2 LYS 17 6.795 -4.594 15.652 820 HG3 LYS 17 HG3 LYS 17 6.647 -2.824 15.502 821 HD2 LYS 17 HD2 LYS 17 6.826 -2.751 18.041 822 HD3 LYS 17 HD3 LYS 17 7.260 -4.472 17.985 823 HE2 LYS 17 HE2 LYS 17 9.166 -3.920 16.467 824 HE3 LYS 17 HE3 LYS 17 8.715 -2.217 16.523 825 HZ1 LYS 17 HZ1 LYS 17 10.473 -2.649 18.062 826 HZ2 LYS 17 HZ2 LYS 17 9.119 -2.289 18.951 827 HZ3 LYS 17 HZ3 LYS 17 9.661 -3.844 18.822 828 H ASP 18 H ASP 18 5.446 -3.321 13.097 829 HA ASP 18 HA ASP 18 4.971 -0.536 12.865 830 HB2 ASP 18 HB2 ASP 18 6.710 -2.077 11.734 831 HB3 ASP 18 HB3 ASP 18 5.434 -2.461 10.573 832 H THR 19 H THR 19 3.047 -3.208 11.965 833 HA THR 19 HA THR 19 1.450 -2.760 10.002 834 HB THR 19 HB THR 19 1.414 -4.751 11.382 835 HG1 THR 19 HG1 THR 19 -0.072 -4.657 10.089 836 HG21 THR 19 HG21 THR 19 -0.316 -3.330 13.404 837 HG22 THR 19 HG22 THR 19 1.410 -3.710 13.648 838 HG23 THR 19 HG23 THR 19 0.275 -5.024 13.411 839 H LEU 20 H LEU 20 -0.732 -2.456 9.546 840 HA LEU 20 HA LEU 20 -2.236 -0.349 10.980 841 HB2 LEU 20 HB2 LEU 20 -1.864 0.291 8.621 842 HB3 LEU 20 HB3 LEU 20 -2.325 -1.337 8.102 843 HG LEU 20 HG LEU 20 -4.591 -0.991 8.743 844 HD11 LEU 20 HD11 LEU 20 -5.439 1.235 9.453 845 HD12 LEU 20 HD12 LEU 20 -3.765 1.797 9.667 846 HD13 LEU 20 HD13 LEU 20 -4.418 0.501 10.692 847 HD21 LEU 20 HD21 LEU 20 -3.467 -0.095 6.613 848 HD22 LEU 20 HD22 LEU 20 -3.748 1.519 7.259 849 HD23 LEU 20 HD23 LEU 20 -5.129 0.426 6.944 850 H ASP 21 H ASP 21 -3.800 -1.176 12.114 851 HA ASP 21 HA ASP 21 -4.831 -3.902 11.829 852 HB2 ASP 21 HB2 ASP 21 -5.920 -3.359 13.991 853 HB3 ASP 21 HB3 ASP 21 -4.169 -3.183 14.036 854 H LEU 22 H LEU 22 -6.419 -4.212 10.500 855 HA LEU 22 HA LEU 22 -8.496 -2.237 9.769 856 HB2 LEU 22 HB2 LEU 22 -7.375 -4.813 8.742 857 HB3 LEU 22 HB3 LEU 22 -9.109 -4.571 8.492 858 HG LEU 22 HG LEU 22 -8.662 -2.548 7.200 859 HD11 LEU 22 HD11 LEU 22 -6.676 -1.652 8.275 860 HD12 LEU 22 HD12 LEU 22 -6.293 -2.013 6.585 861 HD13 LEU 22 HD13 LEU 22 -5.736 -3.113 7.874 862 HD21 LEU 22 HD21 LEU 22 -7.440 -3.623 5.340 863 HD22 LEU 22 HD22 LEU 22 -8.544 -4.780 6.117 864 HD23 LEU 22 HD23 LEU 22 -6.789 -4.843 6.457 865 H ASN 23 H ASN 23 -8.059 -4.850 12.051 866 HA ASN 23 HA ASN 23 -10.851 -5.520 12.351 867 HB2 ASN 23 HB2 ASN 23 -10.077 -7.008 14.070 868 HB3 ASN 23 HB3 ASN 23 -8.970 -7.139 12.729 869 HD21 ASN 23 HD21 ASN 23 -6.817 -6.992 13.231 870 HD22 ASN 23 HD22 ASN 23 -6.218 -6.400 14.780 871 H THR 24 H THR 24 -11.585 -5.540 14.590 872 HA THR 24 HA THR 24 -11.190 -3.289 16.322 873 HB THR 24 HB THR 24 -12.240 -1.723 15.229 874 HG1 THR 24 HG1 THR 24 -13.802 -1.749 16.611 875 HG21 THR 24 HG21 THR 24 -13.746 -3.715 13.510 876 HG22 THR 24 HG22 THR 24 -13.971 -1.958 13.456 877 HG23 THR 24 HG23 THR 24 -12.404 -2.657 13.057 878 HA PRO 25 HA PRO 25 -14.734 -5.742 18.246 879 HB2 PRO 25 HB2 PRO 25 -15.760 -8.007 17.108 880 HB3 PRO 25 HB3 PRO 25 -16.350 -6.366 16.700 881 HG2 PRO 25 HG2 PRO 25 -14.277 -8.013 15.202 882 HG3 PRO 25 HG3 PRO 25 -15.718 -7.182 14.534 883 HD2 PRO 25 HD2 PRO 25 -13.345 -6.022 14.404 884 HD3 PRO 25 HD3 PRO 25 -14.795 -5.063 14.829 885 H VAL 26 H VAL 26 -14.395 -7.229 19.845 886 HA VAL 26 HA VAL 26 -12.700 -9.601 19.373 887 HB VAL 26 HB VAL 26 -11.157 -7.823 20.100 888 HG11 VAL 26 HG11 VAL 26 -11.130 -6.953 22.357 889 HG12 VAL 26 HG12 VAL 26 -12.610 -7.827 22.775 890 HG13 VAL 26 HG13 VAL 26 -12.652 -6.502 21.585 891 HG21 VAL 26 HG21 VAL 26 -11.513 -10.028 22.153 892 HG22 VAL 26 HG22 VAL 26 -10.036 -9.095 21.846 893 HG23 VAL 26 HG23 VAL 26 -10.670 -10.168 20.593 894 H ASP 27 H ASP 27 -13.354 -11.352 20.474 895 HA ASP 27 HA ASP 27 -16.068 -11.405 21.268 896 HB2 ASP 27 HB2 ASP 27 -13.814 -13.440 21.514 897 HB3 ASP 27 HB3 ASP 27 -15.480 -13.802 21.960 898 H LYS 28 H LYS 28 -13.224 -11.129 23.247 899 HA LYS 28 HA LYS 28 -14.832 -10.755 25.709 900 HB2 LYS 28 HB2 LYS 28 -12.479 -12.665 25.390 901 HB3 LYS 28 HB3 LYS 28 -13.005 -12.030 26.953 902 HG2 LYS 28 HG2 LYS 28 -15.261 -12.995 26.618 903 HG3 LYS 28 HG3 LYS 28 -14.740 -13.687 25.068 904 HD2 LYS 28 HD2 LYS 28 -13.061 -15.064 26.186 905 HD3 LYS 28 HD3 LYS 28 -13.434 -14.313 27.752 906 HE2 LYS 28 HE2 LYS 28 -15.728 -15.206 27.662 907 HE3 LYS 28 HE3 LYS 28 -15.413 -15.913 26.069 908 HZ1 LYS 28 HZ1 LYS 28 -15.155 -17.534 27.887 909 HZ2 LYS 28 HZ2 LYS 28 -13.906 -16.658 28.524 910 HZ3 LYS 28 HZ3 LYS 28 -13.764 -17.342 27.044 911 HN1 NH2 29 HN1 NH2 29 -12.733 -8.134 26.597 912 HN2 NH2 29 HN2 NH2 29 -14.161 -9.088 26.939 Start of MODEL 21 1 H1 ASN 31 H1 ASN 31 6.841 8.580 -21.725 2 H2 ASN 31 H2 ASN 31 6.533 9.784 -22.795 3 H3 ASN 31 H3 ASN 31 7.924 8.907 -22.924 4 HA ASN 31 HA ASN 31 6.397 8.259 -24.611 5 HB2 ASN 31 HB2 ASN 31 6.642 6.074 -22.507 6 HB3 ASN 31 HB3 ASN 31 6.298 5.845 -24.218 7 HD21 ASN 31 HD21 ASN 31 8.491 4.557 -23.081 8 HD22 ASN 31 HD22 ASN 31 9.967 5.343 -23.653 9 H SER 32 H SER 32 4.917 7.715 -21.358 10 HA SER 32 HA SER 32 2.343 8.542 -22.478 11 HB2 SER 32 HB2 SER 32 2.546 6.054 -22.957 12 HB3 SER 32 HB3 SER 32 2.538 5.790 -21.205 13 HG SER 32 HG SER 32 0.528 7.199 -22.676 14 H GLY 33 H GLY 33 4.439 8.186 -19.719 15 HA2 GLY 33 HA2 GLY 33 3.604 10.263 -18.397 16 HA3 GLY 33 HA3 GLY 33 2.299 9.198 -17.906 17 H LEU 34 H LEU 34 3.083 9.964 -15.898 18 HA LEU 34 HA LEU 34 4.769 7.937 -14.545 19 HB2 LEU 34 HB2 LEU 34 4.775 10.961 -14.132 20 HB3 LEU 34 HB3 LEU 34 5.356 9.847 -12.904 21 HG LEU 34 HG LEU 34 6.526 9.970 -15.717 22 HD11 LEU 34 HD11 LEU 34 8.400 11.187 -14.685 23 HD12 LEU 34 HD12 LEU 34 7.521 11.247 -13.139 24 HD13 LEU 34 HD13 LEU 34 6.888 12.096 -14.569 25 HD21 LEU 34 HD21 LEU 34 6.955 7.825 -14.574 26 HD22 LEU 34 HD22 LEU 34 7.505 8.689 -13.121 27 HD23 LEU 34 HD23 LEU 34 8.428 8.793 -14.629 28 HA PRO 35 HA PRO 35 1.046 7.290 -12.642 29 HB2 PRO 35 HB2 PRO 35 1.538 6.137 -10.234 30 HB3 PRO 35 HB3 PRO 35 1.963 5.375 -11.796 31 HG2 PRO 35 HG2 PRO 35 3.811 6.972 -9.989 32 HG3 PRO 35 HG3 PRO 35 4.114 5.382 -10.757 33 HD2 PRO 35 HD2 PRO 35 5.019 7.703 -11.865 34 HD3 PRO 35 HD3 PRO 35 4.413 6.364 -12.886 35 H THR 36 H THR 36 -0.432 8.591 -12.012 36 HA THR 36 HA THR 36 -0.506 9.427 -9.184 37 HB THR 36 HB THR 36 0.203 11.436 -10.385 38 HG1 THR 36 HG1 THR 36 -1.902 12.606 -9.710 39 HG21 THR 36 HG21 THR 36 -0.970 11.113 -12.562 40 HG22 THR 36 HG22 THR 36 -1.305 12.686 -11.829 41 HG23 THR 36 HG23 THR 36 -2.526 11.398 -11.748 42 H THR 37 H THR 37 -1.550 7.205 -10.827 43 HA THR 37 HA THR 37 -4.357 7.490 -9.953 44 HB THR 37 HB THR 37 -5.218 6.272 -11.916 45 HG1 THR 37 HG1 THR 37 -2.718 6.937 -13.063 46 HG21 THR 37 HG21 THR 37 -5.488 8.708 -11.877 47 HG22 THR 37 HG22 THR 37 -5.245 8.105 -13.520 48 HG23 THR 37 HG23 THR 37 -3.913 8.919 -12.670 49 H LEU 38 H LEU 38 -5.339 5.649 -9.212 50 HA LEU 38 HA LEU 38 -3.557 3.989 -7.870 51 HB2 LEU 38 HB2 LEU 38 -5.816 4.807 -7.144 52 HB3 LEU 38 HB3 LEU 38 -6.522 3.755 -8.362 53 HG LEU 38 HG LEU 38 -5.650 1.815 -7.279 54 HD11 LEU 38 HD11 LEU 38 -4.792 3.667 -5.021 55 HD12 LEU 38 HD12 LEU 38 -3.715 2.681 -6.045 56 HD13 LEU 38 HD13 LEU 38 -4.842 1.890 -4.943 57 HD21 LEU 38 HD21 LEU 38 -7.927 2.609 -6.791 58 HD22 LEU 38 HD22 LEU 38 -7.308 3.580 -5.443 59 HD23 LEU 38 HD23 LEU 38 -7.232 1.804 -5.374 60 H GLY 39 H GLY 39 -5.482 3.140 -10.842 61 HA2 GLY 39 HA2 GLY 39 -4.915 0.432 -10.965 62 HA3 GLY 39 HA3 GLY 39 -5.024 1.481 -12.394 63 H LYS 40 H LYS 40 -2.753 3.030 -12.084 64 HA LYS 40 HA LYS 40 -0.653 1.261 -13.041 65 HB2 LYS 40 HB2 LYS 40 -0.530 4.187 -12.200 66 HB3 LYS 40 HB3 LYS 40 0.674 3.330 -13.160 67 HG2 LYS 40 HG2 LYS 40 -2.197 3.934 -14.018 68 HG3 LYS 40 HG3 LYS 40 -0.753 4.795 -14.534 69 HD2 LYS 40 HD2 LYS 40 0.112 2.734 -15.600 70 HD3 LYS 40 HD3 LYS 40 -1.350 1.862 -15.142 71 HE2 LYS 40 HE2 LYS 40 -1.305 4.336 -16.936 72 HE3 LYS 40 HE3 LYS 40 -1.273 2.666 -17.524 73 HZ1 LYS 40 HZ1 LYS 40 -3.488 3.937 -16.019 74 HZ2 LYS 40 HZ2 LYS 40 -3.421 2.342 -16.322 75 HZ3 LYS 40 HZ3 LYS 40 -3.535 3.421 -17.570 76 H LEU 41 H LEU 41 -1.299 2.884 -9.935 77 HA LEU 41 HA LEU 41 1.138 2.056 -8.661 78 HB2 LEU 41 HB2 LEU 41 -0.573 3.871 -7.926 79 HB3 LEU 41 HB3 LEU 41 -1.515 2.531 -7.272 80 HG LEU 41 HG LEU 41 0.775 1.872 -6.082 81 HD11 LEU 41 HD11 LEU 41 1.157 4.860 -6.577 82 HD12 LEU 41 HD12 LEU 41 2.176 3.557 -7.235 83 HD13 LEU 41 HD13 LEU 41 2.117 3.844 -5.495 84 HD21 LEU 41 HD21 LEU 41 0.203 3.166 -4.159 85 HD22 LEU 41 HD22 LEU 41 -1.280 2.575 -4.924 86 HD23 LEU 41 HD23 LEU 41 -0.800 4.281 -5.133 87 H ASP 42 H ASP 42 -2.112 0.502 -8.775 88 HA ASP 42 HA ASP 42 -1.496 -1.784 -7.166 89 HB2 ASP 42 HB2 ASP 42 -3.776 -1.203 -7.711 90 HB3 ASP 42 HB3 ASP 42 -3.449 -1.222 -9.437 91 H GLU 43 H GLU 43 -0.857 -1.182 -10.583 92 HA GLU 43 HA GLU 43 0.023 -3.860 -11.223 93 HB2 GLU 43 HB2 GLU 43 -0.808 -1.948 -12.751 94 HB3 GLU 43 HB3 GLU 43 0.809 -1.267 -12.629 95 HG2 GLU 43 HG2 GLU 43 1.780 -3.174 -13.706 96 HG3 GLU 43 HG3 GLU 43 0.307 -4.131 -13.511 97 H ARG 44 H ARG 44 1.675 -0.873 -10.191 98 HA ARG 44 HA ARG 44 4.352 -1.961 -10.084 99 HB2 ARG 44 HB2 ARG 44 3.816 0.442 -10.176 100 HB3 ARG 44 HB3 ARG 44 3.117 0.373 -8.560 101 HG2 ARG 44 HG2 ARG 44 5.156 0.063 -7.511 102 HG3 ARG 44 HG3 ARG 44 5.894 -0.719 -8.914 103 HD2 ARG 44 HD2 ARG 44 5.178 2.218 -8.959 104 HD3 ARG 44 HD3 ARG 44 6.698 1.629 -8.262 105 HE ARG 44 HE ARG 44 6.847 0.411 -10.633 106 HH11 ARG 44 HH11 ARG 44 6.250 3.847 -9.924 107 HH12 ARG 44 HH12 ARG 44 6.737 4.290 -11.570 108 HH21 ARG 44 HH21 ARG 44 7.675 1.195 -12.567 109 HH22 ARG 44 HH22 ARG 44 7.670 2.911 -12.864 110 H LEU 45 H LEU 45 1.894 -1.560 -7.463 111 HA LEU 45 HA LEU 45 3.561 -2.724 -5.467 112 HB2 LEU 45 HB2 LEU 45 0.563 -2.236 -5.701 113 HB3 LEU 45 HB3 LEU 45 1.272 -2.936 -4.250 114 HG LEU 45 HG LEU 45 2.118 -0.231 -5.388 115 HD11 LEU 45 HD11 LEU 45 0.197 -0.964 -3.148 116 HD12 LEU 45 HD12 LEU 45 -0.193 -0.133 -4.667 117 HD13 LEU 45 HD13 LEU 45 0.833 0.667 -3.458 118 HD21 LEU 45 HD21 LEU 45 2.772 -1.734 -2.821 119 HD22 LEU 45 HD22 LEU 45 3.028 0.000 -3.015 120 HD23 LEU 45 HD23 LEU 45 3.903 -1.123 -4.053 121 H ARG 46 H ARG 46 1.212 -4.381 -7.620 122 HA ARG 46 HA ARG 46 1.479 -6.961 -6.282 123 HB2 ARG 46 HB2 ARG 46 0.750 -6.182 -9.136 124 HB3 ARG 46 HB3 ARG 46 0.786 -7.861 -8.563 125 HG2 ARG 46 HG2 ARG 46 -0.890 -7.388 -6.851 126 HG3 ARG 46 HG3 ARG 46 -0.881 -5.671 -7.256 127 HD2 ARG 46 HD2 ARG 46 -1.603 -6.381 -9.623 128 HD3 ARG 46 HD3 ARG 46 -1.938 -7.974 -8.932 129 HE ARG 46 HE ARG 46 -3.210 -5.356 -8.158 130 HH11 ARG 46 HH11 ARG 46 -3.645 -8.872 -8.199 131 HH12 ARG 46 HH12 ARG 46 -5.337 -8.663 -7.743 132 HH21 ARG 46 HH21 ARG 46 -5.043 -5.272 -7.314 133 HH22 ARG 46 HH22 ARG 46 -5.992 -6.728 -6.904 134 H ASN 47 H ASN 47 3.502 -5.188 -8.555 135 HA ASN 47 HA ASN 47 5.378 -7.452 -8.818 136 HB2 ASN 47 HB2 ASN 47 5.321 -4.608 -9.859 137 HB3 ASN 47 HB3 ASN 47 6.792 -5.573 -9.899 138 HD21 ASN 47 HD21 ASN 47 3.697 -5.078 -11.442 139 HD22 ASN 47 HD22 ASN 47 3.855 -6.475 -12.520 140 H TYR 48 H TYR 48 5.304 -4.462 -6.766 141 HA TYR 48 HA TYR 48 7.732 -5.186 -5.475 142 HB2 TYR 48 HB2 TYR 48 5.497 -3.458 -4.443 143 HB3 TYR 48 HB3 TYR 48 6.956 -3.816 -3.644 144 HD1 TYR 48 HD1 TYR 48 6.841 -2.830 -7.285 145 HD2 TYR 48 HD2 TYR 48 7.891 -1.779 -3.248 146 HE1 TYR 48 HE1 TYR 48 7.954 -0.778 -8.092 147 HE2 TYR 48 HE2 TYR 48 8.946 0.311 -4.053 148 HH TYR 48 HH TYR 48 9.381 1.658 -5.905 149 H LEU 49 H LEU 49 4.469 -6.374 -4.834 150 HA LEU 49 HA LEU 49 5.187 -7.693 -2.433 151 HB2 LEU 49 HB2 LEU 49 2.918 -7.594 -4.174 152 HB3 LEU 49 HB3 LEU 49 3.340 -9.295 -4.103 153 HG LEU 49 HG LEU 49 2.832 -7.466 -1.739 154 HD11 LEU 49 HD11 LEU 49 0.806 -8.852 -1.409 155 HD12 LEU 49 HD12 LEU 49 1.187 -9.759 -2.889 156 HD13 LEU 49 HD13 LEU 49 0.785 -8.028 -2.984 157 HD21 LEU 49 HD21 LEU 49 2.842 -9.471 -0.333 158 HD22 LEU 49 HD22 LEU 49 4.391 -9.157 -1.091 159 HD23 LEU 49 HD23 LEU 49 3.364 -10.450 -1.735 160 H LYS 50 H LYS 50 5.425 -9.015 -5.757 161 HA LYS 50 HA LYS 50 6.572 -11.531 -5.000 162 HB2 LYS 50 HB2 LYS 50 6.933 -9.917 -7.563 163 HB3 LYS 50 HB3 LYS 50 7.388 -11.613 -7.315 164 HG2 LYS 50 HG2 LYS 50 5.114 -12.294 -6.988 165 HG3 LYS 50 HG3 LYS 50 4.522 -10.633 -7.028 166 HD2 LYS 50 HD2 LYS 50 5.943 -11.926 -9.396 167 HD3 LYS 50 HD3 LYS 50 4.193 -12.002 -9.153 168 HE2 LYS 50 HE2 LYS 50 4.066 -9.536 -9.111 169 HE3 LYS 50 HE3 LYS 50 5.815 -9.438 -9.393 170 HZ1 LYS 50 HZ1 LYS 50 4.561 -9.169 -11.430 171 HZ2 LYS 50 HZ2 LYS 50 3.860 -10.658 -11.276 172 HZ3 LYS 50 HZ3 LYS 50 5.485 -10.505 -11.539 173 H LYS 51 H LYS 51 8.188 -8.499 -5.928 174 HA LYS 51 HA LYS 51 10.900 -9.486 -5.504 175 HB2 LYS 51 HB2 LYS 51 9.552 -6.891 -6.148 176 HB3 LYS 51 HB3 LYS 51 11.252 -6.870 -5.612 177 HG2 LYS 51 HG2 LYS 51 11.892 -8.339 -7.397 178 HG3 LYS 51 HG3 LYS 51 10.209 -8.450 -7.973 179 HD2 LYS 51 HD2 LYS 51 10.168 -6.205 -8.687 180 HD3 LYS 51 HD3 LYS 51 11.544 -5.739 -7.647 181 HE2 LYS 51 HE2 LYS 51 13.122 -6.827 -8.950 182 HE3 LYS 51 HE3 LYS 51 11.907 -7.806 -9.795 183 HZ1 LYS 51 HZ1 LYS 51 11.134 -5.811 -10.903 184 HZ2 LYS 51 HZ2 LYS 51 12.708 -6.094 -11.235 185 HZ3 LYS 51 HZ3 LYS 51 12.296 -4.889 -10.181 186 H GLY 52 H GLY 52 8.595 -8.091 -3.263 187 HA2 GLY 52 HA2 GLY 52 10.768 -7.261 -1.416 188 HA3 GLY 52 HA3 GLY 52 9.109 -6.736 -1.437 189 H THR 53 H THR 53 8.555 -9.920 -1.734 190 HA THR 53 HA THR 53 8.886 -10.574 1.146 191 HB THR 53 HB THR 53 6.989 -12.071 0.846 192 HG1 THR 53 HG1 THR 53 6.646 -10.935 -1.747 193 HG21 THR 53 HG21 THR 53 5.208 -10.522 0.500 194 HG22 THR 53 HG22 THR 53 6.340 -9.343 -0.241 195 HG23 THR 53 HG23 THR 53 6.475 -9.777 1.462 196 H LYS 54 H LYS 54 8.598 -13.034 1.539 197 HA LYS 54 HA LYS 54 10.850 -14.416 0.216 198 HB2 LYS 54 HB2 LYS 54 9.061 -15.448 2.452 199 HB3 LYS 54 HB3 LYS 54 10.604 -16.101 1.936 200 HG2 LYS 54 HG2 LYS 54 10.169 -13.391 3.284 201 HG3 LYS 54 HG3 LYS 54 10.747 -14.853 4.067 202 HD2 LYS 54 HD2 LYS 54 12.784 -14.862 2.737 203 HD3 LYS 54 HD3 LYS 54 12.217 -13.487 1.769 204 HE2 LYS 54 HE2 LYS 54 12.213 -12.020 3.700 205 HE3 LYS 54 HE3 LYS 54 12.620 -13.366 4.784 206 HZ1 LYS 54 HZ1 LYS 54 14.550 -11.982 4.150 207 HZ2 LYS 54 HZ2 LYS 54 14.748 -13.557 3.727 208 HZ3 LYS 54 HZ3 LYS 54 14.379 -12.420 2.585 209 H ASN 55 H ASN 55 7.354 -14.744 0.717 210 HA ASN 55 HA ASN 55 7.045 -15.807 -2.003 211 HB2 ASN 55 HB2 ASN 55 5.036 -17.112 -0.631 212 HB3 ASN 55 HB3 ASN 55 6.521 -17.886 -1.214 213 HD21 ASN 55 HD21 ASN 55 4.388 -17.803 1.121 214 HD22 ASN 55 HD22 ASN 55 5.405 -18.245 2.489 215 H SER 56 H SER 56 4.920 -15.440 -2.831 216 HA SER 56 HA SER 56 3.469 -13.176 -1.505 217 HB2 SER 56 HB2 SER 56 4.819 -12.259 -3.215 218 HB3 SER 56 HB3 SER 56 4.323 -13.478 -4.384 219 HG SER 56 HG SER 56 2.100 -12.375 -3.556 220 H ALA 57 H ALA 57 2.988 -16.340 -2.698 221 HA ALA 57 HA ALA 57 0.411 -16.083 -3.908 222 HB1 ALA 57 HB1 ALA 57 0.386 -18.555 -3.625 223 HB2 ALA 57 HB2 ALA 57 1.781 -18.428 -2.525 224 HB3 ALA 57 HB3 ALA 57 1.951 -17.988 -4.242 225 H GLN 58 H GLN 58 1.269 -16.210 -0.545 226 HA GLN 58 HA GLN 58 -1.254 -17.257 0.423 227 HB2 GLN 58 HB2 GLN 58 -0.202 -17.143 2.581 228 HB3 GLN 58 HB3 GLN 58 0.921 -17.870 1.444 229 HG2 GLN 58 HG2 GLN 58 1.102 -14.926 2.185 230 HG3 GLN 58 HG3 GLN 58 1.811 -16.186 3.182 231 HE21 GLN 58 HE21 GLN 58 3.930 -15.104 2.813 232 HE22 GLN 58 HE22 GLN 58 4.604 -15.019 1.233 233 H PHE 59 H PHE 59 -0.322 -14.177 -0.537 234 HA PHE 59 HA PHE 59 -1.704 -12.599 1.482 235 HB2 PHE 59 HB2 PHE 59 -0.339 -11.913 -1.096 236 HB3 PHE 59 HB3 PHE 59 -1.253 -10.739 -0.155 237 HD1 PHE 59 HD1 PHE 59 -0.610 -10.164 2.185 238 HD2 PHE 59 HD2 PHE 59 1.834 -12.751 -0.220 239 HE1 PHE 59 HE1 PHE 59 1.247 -9.904 3.803 240 HE2 PHE 59 HE2 PHE 59 3.726 -12.438 1.363 241 HZ PHE 59 HZ PHE 59 3.438 -11.006 3.365 242 H GLU 60 H GLU 60 -3.534 -11.227 1.140 243 HA GLU 60 HA GLU 60 -5.629 -12.449 -0.650 244 HB2 GLU 60 HB2 GLU 60 -5.903 -13.192 1.629 245 HB3 GLU 60 HB3 GLU 60 -5.758 -11.545 2.258 246 HG2 GLU 60 HG2 GLU 60 -7.845 -10.920 1.086 247 HG3 GLU 60 HG3 GLU 60 -7.991 -12.562 0.458 248 H LYS 61 H LYS 61 -4.528 -9.502 1.048 249 HA LYS 61 HA LYS 61 -5.608 -7.808 -1.066 250 HB2 LYS 61 HB2 LYS 61 -7.154 -6.540 0.238 251 HB3 LYS 61 HB3 LYS 61 -7.566 -8.232 0.447 252 HG2 LYS 61 HG2 LYS 61 -6.264 -8.174 2.652 253 HG3 LYS 61 HG3 LYS 61 -6.127 -6.410 2.450 254 HD2 LYS 61 HD2 LYS 61 -8.502 -6.123 2.541 255 HD3 LYS 61 HD3 LYS 61 -8.753 -7.850 2.283 256 HE2 LYS 61 HE2 LYS 61 -7.702 -8.322 4.520 257 HE3 LYS 61 HE3 LYS 61 -7.584 -6.582 4.769 258 HZ1 LYS 61 HZ1 LYS 61 -10.086 -8.132 4.405 259 HZ2 LYS 61 HZ2 LYS 61 -10.044 -6.485 4.537 260 HZ3 LYS 61 HZ3 LYS 61 -9.626 -7.421 5.805 261 H MET 62 H MET 62 -5.419 -5.510 -0.409 262 HA MET 62 HA MET 62 -3.142 -4.854 1.307 263 HB2 MET 62 HB2 MET 62 -1.770 -3.801 -0.352 264 HB3 MET 62 HB3 MET 62 -2.066 -5.471 -0.819 265 HG2 MET 62 HG2 MET 62 -3.735 -4.748 -2.472 266 HG3 MET 62 HG3 MET 62 -3.506 -3.061 -1.986 267 HE1 MET 62 HE1 MET 62 -3.359 -3.972 -4.963 268 HE2 MET 62 HE2 MET 62 -1.879 -3.204 -5.559 269 HE3 MET 62 HE3 MET 62 -2.981 -2.289 -4.505 270 H VAL 63 H VAL 63 -2.716 -2.617 1.565 271 HA VAL 63 HA VAL 63 -4.829 -0.685 0.810 272 HB VAL 63 HB VAL 63 -3.888 -1.251 3.656 273 HG11 VAL 63 HG11 VAL 63 -5.592 1.063 2.631 274 HG12 VAL 63 HG12 VAL 63 -3.990 1.190 3.409 275 HG13 VAL 63 HG13 VAL 63 -5.371 0.612 4.326 276 HG21 VAL 63 HG21 VAL 63 -5.733 -2.686 2.964 277 HG22 VAL 63 HG22 VAL 63 -6.612 -1.284 2.325 278 HG23 VAL 63 HG23 VAL 63 -6.366 -1.438 4.056 279 H ILE 64 H ILE 64 -4.057 1.358 0.472 280 HA ILE 64 HA ILE 64 -1.133 1.893 0.860 281 HB ILE 64 HB ILE 64 -2.943 3.110 -1.266 282 HG12 ILE 64 HG12 ILE 64 -1.235 1.653 -2.760 283 HG13 ILE 64 HG13 ILE 64 -1.315 0.584 -1.376 284 HG21 ILE 64 HG21 ILE 64 0.090 3.083 -0.965 285 HG22 ILE 64 HG22 ILE 64 -0.968 4.470 -0.618 286 HG23 ILE 64 HG23 ILE 64 -0.836 3.874 -2.258 287 HD11 ILE 64 HD11 ILE 64 -3.772 0.386 -1.676 288 HD12 ILE 64 HD12 ILE 64 -2.901 -0.017 -3.166 289 HD13 ILE 64 HD13 ILE 64 -3.684 1.564 -3.005 290 H LEU 65 H LEU 65 -0.607 3.771 1.884 291 HA LEU 65 HA LEU 65 -2.746 5.781 2.451 292 HB2 LEU 65 HB2 LEU 65 -0.404 5.170 4.285 293 HB3 LEU 65 HB3 LEU 65 -1.693 6.348 4.538 294 HG LEU 65 HG LEU 65 -2.071 3.350 4.556 295 HD11 LEU 65 HD11 LEU 65 -2.180 5.378 6.832 296 HD12 LEU 65 HD12 LEU 65 -0.808 4.309 6.510 297 HD13 LEU 65 HD13 LEU 65 -2.374 3.612 6.957 298 HD21 LEU 65 HD21 LEU 65 -4.141 4.451 3.846 299 HD22 LEU 65 HD22 LEU 65 -4.019 5.597 5.200 300 HD23 LEU 65 HD23 LEU 65 -4.279 3.870 5.517 301 H THR 66 H THR 66 -2.326 7.605 1.384 302 HA THR 66 HA THR 66 0.428 8.078 0.310 303 HB THR 66 HB THR 66 -0.623 9.515 -1.331 304 HG1 THR 66 HG1 THR 66 -2.330 10.337 -0.238 305 HG21 THR 66 HG21 THR 66 -0.507 7.093 -1.842 306 HG22 THR 66 HG22 THR 66 -1.872 7.913 -2.622 307 HG23 THR 66 HG23 THR 66 -2.159 6.900 -1.191 308 H GLU 67 H GLU 67 0.980 10.477 -0.037 309 HA GLU 67 HA GLU 67 0.714 12.168 2.258 310 HB2 GLU 67 HB2 GLU 67 0.736 13.211 -0.573 311 HB3 GLU 67 HB3 GLU 67 1.330 13.999 0.869 312 HG2 GLU 67 HG2 GLU 67 3.262 12.553 0.968 313 HG3 GLU 67 HG3 GLU 67 2.640 11.519 -0.315 314 H ASN 68 H ASN 68 -0.627 14.170 2.361 315 HA ASN 68 HA ASN 68 -2.603 15.259 2.503 316 HB2 ASN 68 HB2 ASN 68 -3.057 14.225 -0.309 317 HB3 ASN 68 HB3 ASN 68 -3.727 15.687 0.369 318 HD21 ASN 68 HD21 ASN 68 -1.582 14.888 -1.841 319 HD22 ASN 68 HD22 ASN 68 -0.192 15.917 -1.424 320 H LYS 69 H LYS 69 -2.519 12.727 3.595 321 HA LYS 69 HA LYS 69 -3.639 11.021 4.527 322 HB2 LYS 69 HB2 LYS 69 -5.899 13.031 4.649 323 HB3 LYS 69 HB3 LYS 69 -5.653 11.635 5.712 324 HG2 LYS 69 HG2 LYS 69 -3.392 12.666 6.350 325 HG3 LYS 69 HG3 LYS 69 -3.936 14.134 5.529 326 HD2 LYS 69 HD2 LYS 69 -5.104 12.806 7.992 327 HD3 LYS 69 HD3 LYS 69 -4.372 14.411 7.846 328 HE2 LYS 69 HE2 LYS 69 -6.322 14.992 6.261 329 HE3 LYS 69 HE3 LYS 69 -7.056 13.459 6.749 330 HZ1 LYS 69 HZ1 LYS 69 -6.409 15.753 8.497 331 HZ2 LYS 69 HZ2 LYS 69 -6.885 14.283 9.076 332 HZ3 LYS 69 HZ3 LYS 69 -7.917 15.163 8.140 333 H GLY 70 H GLY 70 -3.891 10.886 1.585 334 HA2 GLY 70 HA2 GLY 70 -6.444 9.697 0.995 335 HA3 GLY 70 HA3 GLY 70 -4.956 9.415 0.104 336 H TYR 71 H TYR 71 -7.165 7.653 1.040 337 HA TYR 71 HA TYR 71 -5.502 5.373 1.976 338 HB2 TYR 71 HB2 TYR 71 -6.694 5.942 3.955 339 HB3 TYR 71 HB3 TYR 71 -8.165 6.307 3.070 340 HD1 TYR 71 HD1 TYR 71 -9.591 4.513 2.115 341 HD2 TYR 71 HD2 TYR 71 -6.314 3.626 4.793 342 HE1 TYR 71 HE1 TYR 71 -10.504 2.248 2.487 343 HE2 TYR 71 HE2 TYR 71 -7.282 1.383 5.213 344 HH TYR 71 HH TYR 71 -10.289 0.276 3.589 345 H TYR 72 H TYR 72 -5.729 3.644 0.711 346 HA TYR 72 HA TYR 72 -8.090 3.319 -1.079 347 HB2 TYR 72 HB2 TYR 72 -5.195 3.185 -2.006 348 HB3 TYR 72 HB3 TYR 72 -6.624 2.910 -2.991 349 HD1 TYR 72 HD1 TYR 72 -8.216 4.838 -3.449 350 HD2 TYR 72 HD2 TYR 72 -4.351 5.397 -1.608 351 HE1 TYR 72 HE1 TYR 72 -8.320 7.267 -3.964 352 HE2 TYR 72 HE2 TYR 72 -4.468 7.841 -2.117 353 HH TYR 72 HH TYR 72 -7.295 9.260 -3.800 354 H THR 73 H THR 73 -8.568 1.157 -1.564 355 HA THR 73 HA THR 73 -6.662 -0.923 -0.614 356 HB THR 73 HB THR 73 -8.271 -0.547 1.207 357 HG1 THR 73 HG1 THR 73 -7.356 -2.643 0.668 358 HG21 THR 73 HG21 THR 73 -10.415 -1.641 -0.650 359 HG22 THR 73 HG22 THR 73 -10.277 0.058 -0.133 360 HG23 THR 73 HG23 THR 73 -10.565 -1.205 1.062 361 H VAL 74 H VAL 74 -6.632 -2.826 -1.652 362 HA VAL 74 HA VAL 74 -8.597 -3.423 -3.761 363 HB VAL 74 HB VAL 74 -5.648 -3.607 -4.458 364 HG11 VAL 74 HG11 VAL 74 -6.544 -3.684 -6.756 365 HG12 VAL 74 HG12 VAL 74 -8.198 -3.481 -6.139 366 HG13 VAL 74 HG13 VAL 74 -7.273 -4.948 -5.767 367 HG21 VAL 74 HG21 VAL 74 -7.454 -1.258 -5.176 368 HG22 VAL 74 HG22 VAL 74 -5.861 -1.603 -5.888 369 HG23 VAL 74 HG23 VAL 74 -5.978 -1.192 -4.180 370 H TYR 75 H TYR 75 -8.982 -5.611 -3.826 371 HA TYR 75 HA TYR 75 -7.472 -7.387 -2.026 372 HB2 TYR 75 HB2 TYR 75 -9.963 -7.674 -3.668 373 HB3 TYR 75 HB3 TYR 75 -9.066 -9.111 -3.214 374 HD1 TYR 75 HD1 TYR 75 -10.353 -5.945 -1.580 375 HD2 TYR 75 HD2 TYR 75 -9.544 -10.166 -1.170 376 HE1 TYR 75 HE1 TYR 75 -11.353 -5.927 0.690 377 HE2 TYR 75 HE2 TYR 75 -10.565 -10.138 1.094 378 HH TYR 75 HH TYR 75 -11.435 -8.835 2.751 379 H LEU 76 H LEU 76 -6.390 -9.219 -2.645 380 HA LEU 76 HA LEU 76 -4.987 -9.114 -5.283 381 HB2 LEU 76 HB2 LEU 76 -4.135 -10.242 -2.590 382 HB3 LEU 76 HB3 LEU 76 -3.178 -10.309 -4.062 383 HG LEU 76 HG LEU 76 -4.044 -7.686 -2.747 384 HD11 LEU 76 HD11 LEU 76 -2.596 -8.917 -1.235 385 HD12 LEU 76 HD12 LEU 76 -1.703 -7.578 -1.977 386 HD13 LEU 76 HD13 LEU 76 -1.451 -9.242 -2.556 387 HD21 LEU 76 HD21 LEU 76 -3.515 -7.413 -5.121 388 HD22 LEU 76 HD22 LEU 76 -2.001 -8.327 -4.916 389 HD23 LEU 76 HD23 LEU 76 -2.213 -6.739 -4.143 390 H ASN 77 H ASN 77 -7.105 -11.080 -3.332 391 HA ASN 77 HA ASN 77 -6.844 -13.580 -4.719 392 HB2 ASN 77 HB2 ASN 77 -9.179 -12.118 -3.419 393 HB3 ASN 77 HB3 ASN 77 -9.385 -13.679 -4.197 394 HD21 ASN 77 HD21 ASN 77 -10.093 -13.466 -1.579 395 HD22 ASN 77 HD22 ASN 77 -8.949 -14.372 -0.626 396 H THR 78 H THR 78 -7.734 -10.495 -6.010 397 HA THR 78 HA THR 78 -8.613 -11.673 -8.553 398 HB THR 78 HB THR 78 -10.564 -10.206 -8.685 399 HG1 THR 78 HG1 THR 78 -10.990 -9.473 -6.227 400 HG21 THR 78 HG21 THR 78 -10.776 -11.713 -6.040 401 HG22 THR 78 HG22 THR 78 -10.939 -12.458 -7.643 402 HG23 THR 78 HG23 THR 78 -12.091 -11.220 -7.128 403 HA PRO 79 HA PRO 79 -6.578 -7.861 -10.106 404 HB2 PRO 79 HB2 PRO 79 -8.687 -8.025 -12.252 405 HB3 PRO 79 HB3 PRO 79 -6.917 -7.795 -12.416 406 HG2 PRO 79 HG2 PRO 79 -8.016 -10.211 -12.953 407 HG3 PRO 79 HG3 PRO 79 -6.505 -10.109 -11.978 408 HD2 PRO 79 HD2 PRO 79 -9.338 -10.422 -10.961 409 HD3 PRO 79 HD3 PRO 79 -7.876 -11.359 -10.544 410 H LEU 80 H LEU 80 -7.074 -5.598 -10.219 411 HA LEU 80 HA LEU 80 -9.171 -4.711 -8.543 412 HB2 LEU 80 HB2 LEU 80 -8.330 -2.604 -8.775 413 HB3 LEU 80 HB3 LEU 80 -6.917 -3.590 -9.109 414 HG LEU 80 HG LEU 80 -8.652 -2.185 -11.205 415 HD11 LEU 80 HD11 LEU 80 -5.885 -1.533 -10.150 416 HD12 LEU 80 HD12 LEU 80 -7.373 -0.647 -9.765 417 HD13 LEU 80 HD13 LEU 80 -6.773 -0.668 -11.427 418 HD21 LEU 80 HD21 LEU 80 -5.945 -3.521 -11.555 419 HD22 LEU 80 HD22 LEU 80 -6.867 -2.686 -12.802 420 HD23 LEU 80 HD23 LEU 80 -7.483 -4.201 -12.142 421 H ALA 81 H ALA 81 -11.037 -3.429 -8.849 422 HA ALA 81 HA ALA 81 -12.573 -3.986 -11.225 423 HB1 ALA 81 HB1 ALA 81 -13.124 -2.215 -8.816 424 HB2 ALA 81 HB2 ALA 81 -13.653 -3.899 -9.051 425 HB3 ALA 81 HB3 ALA 81 -14.313 -2.623 -10.073 426 H GLU 82 H GLU 82 -13.657 -2.465 -12.546 427 HA GLU 82 HA GLU 82 -11.799 -1.130 -14.069 428 HB2 GLU 82 HB2 GLU 82 -13.656 -0.192 -15.362 429 HB3 GLU 82 HB3 GLU 82 -13.769 -1.921 -15.077 430 HG2 GLU 82 HG2 GLU 82 -15.504 -1.577 -13.373 431 HG3 GLU 82 HG3 GLU 82 -15.342 0.177 -13.531 432 H ASP 83 H ASP 83 -13.746 0.608 -11.556 433 HA ASP 83 HA ASP 83 -12.938 3.177 -12.716 434 HB2 ASP 83 HB2 ASP 83 -14.365 2.520 -10.124 435 HB3 ASP 83 HB3 ASP 83 -14.213 4.100 -10.879 436 H ARG 84 H ARG 84 -11.740 1.053 -10.218 437 HA ARG 84 HA ARG 84 -9.928 2.891 -8.874 438 HB2 ARG 84 HB2 ARG 84 -9.976 -0.137 -9.227 439 HB3 ARG 84 HB3 ARG 84 -8.698 0.704 -8.352 440 HG2 ARG 84 HG2 ARG 84 -10.177 1.528 -6.697 441 HG3 ARG 84 HG3 ARG 84 -11.615 1.008 -7.574 442 HD2 ARG 84 HD2 ARG 84 -11.247 -1.279 -7.129 443 HD3 ARG 84 HD3 ARG 84 -9.521 -1.045 -6.851 444 HE ARG 84 HE ARG 84 -9.881 -0.574 -4.633 445 HH11 ARG 84 HH11 ARG 84 -13.109 -0.400 -6.123 446 HH12 ARG 84 HH12 ARG 84 -13.857 -0.514 -4.546 447 HH21 ARG 84 HH21 ARG 84 -10.865 -0.659 -2.822 448 HH22 ARG 84 HH22 ARG 84 -12.611 -0.718 -2.675 449 H LYS 85 H LYS 85 -9.922 1.439 -12.040 450 HA LYS 85 HA LYS 85 -7.066 1.485 -12.479 451 HB2 LYS 85 HB2 LYS 85 -9.317 1.685 -14.502 452 HB3 LYS 85 HB3 LYS 85 -7.615 1.394 -14.864 453 HG2 LYS 85 HG2 LYS 85 -7.631 -0.706 -13.614 454 HG3 LYS 85 HG3 LYS 85 -9.342 -0.475 -13.185 455 HD2 LYS 85 HD2 LYS 85 -9.918 -0.448 -15.590 456 HD3 LYS 85 HD3 LYS 85 -8.214 -0.741 -15.996 457 HE2 LYS 85 HE2 LYS 85 -8.247 -2.913 -14.906 458 HE3 LYS 85 HE3 LYS 85 -9.858 -2.613 -14.227 459 HZ1 LYS 85 HZ1 LYS 85 -9.979 -4.020 -16.229 460 HZ2 LYS 85 HZ2 LYS 85 -9.280 -2.834 -17.129 461 HZ3 LYS 85 HZ3 LYS 85 -10.744 -2.579 -16.489 462 H ASN 86 H ASN 86 -9.488 3.998 -12.533 463 HA ASN 86 HA ASN 86 -7.556 5.867 -13.842 464 HB2 ASN 86 HB2 ASN 86 -9.365 6.813 -14.999 465 HB3 ASN 86 HB3 ASN 86 -9.541 5.080 -15.168 466 HD21 ASN 86 HD21 ASN 86 -11.727 4.525 -15.103 467 HD22 ASN 86 HD22 ASN 86 -12.899 5.407 -14.143 468 H VAL 87 H VAL 87 -9.024 5.423 -10.811 469 HA VAL 87 HA VAL 87 -9.741 8.106 -10.179 470 HB VAL 87 HB VAL 87 -10.443 6.081 -8.939 471 HG11 VAL 87 HG11 VAL 87 -9.135 5.092 -7.200 472 HG12 VAL 87 HG12 VAL 87 -7.751 6.141 -7.563 473 HG13 VAL 87 HG13 VAL 87 -8.296 4.928 -8.751 474 HG21 VAL 87 HG21 VAL 87 -9.150 8.186 -7.168 475 HG22 VAL 87 HG22 VAL 87 -10.509 7.119 -6.753 476 HG23 VAL 87 HG23 VAL 87 -10.712 8.363 -7.998 477 H GLU 88 H GLU 88 -8.591 9.878 -9.807 478 HA GLU 88 HA GLU 88 -5.709 9.932 -9.901 479 HB2 GLU 88 HB2 GLU 88 -7.824 12.009 -9.252 480 HB3 GLU 88 HB3 GLU 88 -6.097 12.378 -9.288 481 HG2 GLU 88 HG2 GLU 88 -5.896 11.958 -11.606 482 HG3 GLU 88 HG3 GLU 88 -7.414 11.068 -11.691 483 H LEU 89 H LEU 89 -4.259 9.762 -8.342 484 HA LEU 89 HA LEU 89 -4.984 9.073 -5.616 485 HB2 LEU 89 HB2 LEU 89 -2.342 9.578 -7.054 486 HB3 LEU 89 HB3 LEU 89 -2.422 9.055 -5.386 487 HG LEU 89 HG LEU 89 -3.533 7.484 -7.751 488 HD11 LEU 89 HD11 LEU 89 -1.625 5.992 -7.432 489 HD12 LEU 89 HD12 LEU 89 -1.021 7.008 -6.103 490 HD13 LEU 89 HD13 LEU 89 -1.057 7.636 -7.755 491 HD21 LEU 89 HD21 LEU 89 -3.160 6.658 -4.839 492 HD22 LEU 89 HD22 LEU 89 -3.632 5.571 -6.162 493 HD23 LEU 89 HD23 LEU 89 -4.717 6.869 -5.673 494 H LEU 90 H LEU 90 -5.130 10.328 -3.864 495 HA LEU 90 HA LEU 90 -5.050 13.144 -3.889 496 HB2 LEU 90 HB2 LEU 90 -5.040 11.032 -1.723 497 HB3 LEU 90 HB3 LEU 90 -4.914 12.725 -1.279 498 HG LEU 90 HG LEU 90 -7.180 11.734 -3.050 499 HD11 LEU 90 HD11 LEU 90 -8.564 11.707 -0.983 500 HD12 LEU 90 HD12 LEU 90 -7.094 11.949 -0.011 501 HD13 LEU 90 HD13 LEU 90 -7.311 10.467 -0.982 502 HD21 LEU 90 HD21 LEU 90 -6.857 14.180 -1.246 503 HD22 LEU 90 HD22 LEU 90 -8.309 13.759 -2.181 504 HD23 LEU 90 HD23 LEU 90 -6.824 14.182 -3.024 505 H GLY 91 H GLY 91 -2.371 10.946 -3.352 506 HA2 GLY 91 HA2 GLY 91 -0.432 13.090 -3.595 507 HA3 GLY 91 HA3 GLY 91 -0.542 12.444 -1.960 508 H LYS 92 H LYS 92 1.830 12.148 -2.784 509 HA LYS 92 HA LYS 92 2.460 9.836 -4.376 510 HB2 LYS 92 HB2 LYS 92 3.832 11.974 -3.680 511 HB3 LYS 92 HB3 LYS 92 4.269 11.022 -2.269 512 HG2 LYS 92 HG2 LYS 92 5.998 10.744 -3.806 513 HG3 LYS 92 HG3 LYS 92 5.050 9.268 -3.959 514 HD2 LYS 92 HD2 LYS 92 5.644 9.864 -6.127 515 HD3 LYS 92 HD3 LYS 92 3.939 10.327 -6.000 516 HE2 LYS 92 HE2 LYS 92 4.464 12.650 -5.890 517 HE3 LYS 92 HE3 LYS 92 6.148 12.331 -5.433 518 HZ1 LYS 92 HZ1 LYS 92 6.589 11.491 -7.614 519 HZ2 LYS 92 HZ2 LYS 92 5.961 12.998 -7.780 520 HZ3 LYS 92 HZ3 LYS 92 5.022 11.681 -8.095 521 H MET 93 H MET 93 3.553 7.883 -3.690 522 HA MET 93 HA MET 93 1.918 6.424 -1.819 523 HB2 MET 93 HB2 MET 93 2.769 5.630 -4.070 524 HB3 MET 93 HB3 MET 93 4.367 5.471 -3.351 525 HG2 MET 93 HG2 MET 93 3.157 3.942 -1.576 526 HG3 MET 93 HG3 MET 93 1.820 3.958 -2.710 527 HE1 MET 93 HE1 MET 93 5.820 1.690 -3.076 528 HE2 MET 93 HE2 MET 93 5.001 2.191 -1.580 529 HE3 MET 93 HE3 MET 93 5.771 3.410 -2.621 530 H TYR 94 H TYR 94 2.782 7.877 0.114 531 HA TYR 94 HA TYR 94 5.281 7.434 1.270 532 HB2 TYR 94 HB2 TYR 94 3.744 9.067 2.188 533 HB3 TYR 94 HB3 TYR 94 2.593 7.824 2.603 534 HD1 TYR 94 HD1 TYR 94 6.329 7.898 3.251 535 HD2 TYR 94 HD2 TYR 94 2.358 7.854 4.936 536 HE1 TYR 94 HE1 TYR 94 7.295 7.868 5.538 537 HE2 TYR 94 HE2 TYR 94 3.330 7.837 7.220 538 HH TYR 94 HH TYR 94 6.872 8.034 7.768 539 H LYS 95 H LYS 95 2.398 5.267 1.743 540 HA LYS 95 HA LYS 95 4.267 3.089 2.380 541 HB2 LYS 95 HB2 LYS 95 3.595 4.680 4.467 542 HB3 LYS 95 HB3 LYS 95 2.209 3.622 4.528 543 HG2 LYS 95 HG2 LYS 95 3.502 1.746 5.091 544 HG3 LYS 95 HG3 LYS 95 4.962 2.366 4.318 545 HD2 LYS 95 HD2 LYS 95 3.796 3.619 6.803 546 HD3 LYS 95 HD3 LYS 95 5.018 2.337 6.844 547 HE2 LYS 95 HE2 LYS 95 6.577 3.743 5.573 548 HE3 LYS 95 HE3 LYS 95 5.373 5.024 5.425 549 HZ1 LYS 95 HZ1 LYS 95 6.430 4.057 8.028 550 HZ2 LYS 95 HZ2 LYS 95 5.457 5.346 7.807 551 HZ3 LYS 95 HZ3 LYS 95 7.031 5.332 7.237 552 H THR 96 H THR 96 3.383 1.013 2.505 553 HA THR 96 HA THR 96 0.514 0.641 1.790 554 HB THR 96 HB THR 96 2.799 -0.729 0.319 555 HG1 THR 96 HG1 THR 96 2.234 1.504 -0.133 556 HG21 THR 96 HG21 THR 96 1.071 -1.598 -1.181 557 HG22 THR 96 HG22 THR 96 -0.204 -0.840 -0.217 558 HG23 THR 96 HG23 THR 96 0.732 -2.174 0.442 559 H TYR 97 H TYR 97 -0.312 -1.311 2.329 560 HA TYR 97 HA TYR 97 1.094 -2.954 4.399 561 HB2 TYR 97 HB2 TYR 97 -1.742 -1.837 4.600 562 HB3 TYR 97 HB3 TYR 97 -0.870 -2.726 5.813 563 HD1 TYR 97 HD1 TYR 97 -1.055 0.542 4.030 564 HD2 TYR 97 HD2 TYR 97 0.681 -1.661 7.297 565 HE1 TYR 97 HE1 TYR 97 -0.024 2.628 4.914 566 HE2 TYR 97 HE2 TYR 97 1.604 0.421 8.222 567 HH TYR 97 HH TYR 97 1.877 2.700 7.936 568 H PHE 98 H PHE 98 0.577 -5.098 4.393 569 HA PHE 98 HA PHE 98 -1.488 -6.128 2.470 570 HB2 PHE 98 HB2 PHE 98 1.371 -6.991 2.878 571 HB3 PHE 98 HB3 PHE 98 0.232 -7.783 1.805 572 HD1 PHE 98 HD1 PHE 98 2.307 -4.738 2.309 573 HD2 PHE 98 HD2 PHE 98 -0.214 -6.949 -0.388 574 HE1 PHE 98 HE1 PHE 98 3.093 -3.340 0.430 575 HE2 PHE 98 HE2 PHE 98 0.610 -5.572 -2.291 576 HZ PHE 98 HZ PHE 98 2.283 -3.793 -1.891 577 H PHE 99 H PHE 99 -2.267 -8.183 2.821 578 HA PHE 99 HA PHE 99 -2.012 -9.295 5.597 579 HB2 PHE 99 HB2 PHE 99 -4.585 -8.714 4.078 580 HB3 PHE 99 HB3 PHE 99 -4.435 -9.180 5.755 581 HD1 PHE 99 HD1 PHE 99 -3.867 -6.405 3.310 582 HD2 PHE 99 HD2 PHE 99 -4.151 -7.465 7.473 583 HE1 PHE 99 HE1 PHE 99 -3.639 -4.020 3.919 584 HE2 PHE 99 HE2 PHE 99 -4.039 -5.061 8.067 585 HZ PHE 99 HZ PHE 99 -3.642 -3.353 6.309 586 H LYS 100 H LYS 100 -1.992 -11.535 5.645 587 HA LYS 100 HA LYS 100 -2.377 -13.079 3.173 588 HB2 LYS 100 HB2 LYS 100 -1.866 -14.064 5.994 589 HB3 LYS 100 HB3 LYS 100 -2.065 -15.084 4.568 590 HG2 LYS 100 HG2 LYS 100 0.159 -15.020 4.617 591 HG3 LYS 100 HG3 LYS 100 -0.174 -13.706 3.490 592 HD2 LYS 100 HD2 LYS 100 0.281 -12.053 5.153 593 HD3 LYS 100 HD3 LYS 100 0.360 -13.257 6.449 594 HE2 LYS 100 HE2 LYS 100 2.250 -13.382 4.080 595 HE3 LYS 100 HE3 LYS 100 2.542 -12.261 5.416 596 HZ1 LYS 100 HZ1 LYS 100 2.179 -15.165 5.885 597 HZ2 LYS 100 HZ2 LYS 100 2.710 -14.036 6.939 598 HZ3 LYS 100 HZ3 LYS 100 3.657 -14.473 5.656 599 H LYS 101 H LYS 101 -3.707 -14.978 3.110 600 HA LYS 101 HA LYS 101 -6.526 -14.534 3.204 601 HB2 LYS 101 HB2 LYS 101 -4.855 -17.073 2.902 602 HB3 LYS 101 HB3 LYS 101 -6.572 -16.960 2.503 603 HG2 LYS 101 HG2 LYS 101 -6.181 -15.464 0.680 604 HG3 LYS 101 HG3 LYS 101 -4.512 -15.183 1.142 605 HD2 LYS 101 HD2 LYS 101 -3.955 -17.559 0.692 606 HD3 LYS 101 HD3 LYS 101 -5.630 -17.835 0.154 607 HE2 LYS 101 HE2 LYS 101 -5.345 -16.068 -1.577 608 HE3 LYS 101 HE3 LYS 101 -3.684 -15.795 -1.026 609 HZ1 LYS 101 HZ1 LYS 101 -3.178 -18.102 -1.655 610 HZ2 LYS 101 HZ2 LYS 101 -3.653 -17.230 -2.926 611 HZ3 LYS 101 HZ3 LYS 101 -4.706 -18.293 -2.260 612 H GLY 102 H GLY 102 -5.870 -13.944 5.688 613 HA2 GLY 102 HA2 GLY 102 -7.368 -15.274 7.598 614 HA3 GLY 102 HA3 GLY 102 -5.805 -16.118 7.593 615 H GLU 103 H GLU 103 -6.187 -12.622 6.956 616 HA GLU 103 HA GLU 103 -5.190 -11.912 9.655 617 HB2 GLU 103 HB2 GLU 103 -3.780 -11.154 7.061 618 HB3 GLU 103 HB3 GLU 103 -3.491 -10.383 8.618 619 HG2 GLU 103 HG2 GLU 103 -2.848 -12.647 9.542 620 HG3 GLU 103 HG3 GLU 103 -2.889 -13.266 7.886 621 H SER 104 H SER 104 -5.612 -9.851 10.290 622 HA SER 104 HA SER 104 -6.756 -7.907 8.349 623 HB2 SER 104 HB2 SER 104 -8.483 -7.190 9.914 624 HB3 SER 104 HB3 SER 104 -8.712 -8.863 9.405 625 HG SER 104 HG SER 104 -8.133 -9.579 11.361 626 H LYS 105 H LYS 105 -4.281 -8.470 10.399 627 HA LYS 105 HA LYS 105 -3.749 -5.532 10.399 628 HB2 LYS 105 HB2 LYS 105 -4.163 -6.192 12.702 629 HB3 LYS 105 HB3 LYS 105 -2.973 -7.506 12.566 630 HG2 LYS 105 HG2 LYS 105 -1.178 -5.972 12.369 631 HG3 LYS 105 HG3 LYS 105 -2.217 -4.578 12.181 632 HD2 LYS 105 HD2 LYS 105 -1.366 -4.572 14.450 633 HD3 LYS 105 HD3 LYS 105 -3.087 -4.953 14.534 634 HE2 LYS 105 HE2 LYS 105 -2.654 -7.285 14.832 635 HE3 LYS 105 HE3 LYS 105 -0.937 -7.085 14.427 636 HZ1 LYS 105 HZ1 LYS 105 -2.255 -5.968 16.844 637 HZ2 LYS 105 HZ2 LYS 105 -0.649 -5.802 16.451 638 HZ3 LYS 105 HZ3 LYS 105 -1.293 -7.276 16.825 639 H SER 106 H SER 106 -2.009 -5.030 9.230 640 HA SER 106 HA SER 106 -1.172 -6.995 7.403 641 HB2 SER 106 HB2 SER 106 0.206 -5.292 6.387 642 HB3 SER 106 HB3 SER 106 -1.338 -4.599 6.893 643 HG SER 106 HG SER 106 1.194 -4.400 8.122 644 H SER 107 H SER 107 0.236 -8.661 7.655 645 HA SER 107 HA SER 107 2.561 -8.550 9.442 646 HB2 SER 107 HB2 SER 107 3.137 -10.690 8.239 647 HB3 SER 107 HB3 SER 107 1.561 -10.691 9.043 648 HG SER 107 HG SER 107 0.565 -10.793 7.157 649 H TYR 108 H TYR 108 1.972 -7.652 6.149 650 HA TYR 108 HA TYR 108 4.896 -7.170 5.751 651 HB2 TYR 108 HB2 TYR 108 4.265 -9.082 4.462 652 HB3 TYR 108 HB3 TYR 108 2.848 -8.274 3.834 653 HD1 TYR 108 HD1 TYR 108 6.562 -7.752 3.982 654 HD2 TYR 108 HD2 TYR 108 3.008 -7.566 1.595 655 HE1 TYR 108 HE1 TYR 108 7.925 -7.085 1.993 656 HE2 TYR 108 HE2 TYR 108 4.313 -6.711 -0.313 657 HH TYR 108 HH TYR 108 6.412 -6.330 -1.169 658 H VAL 109 H VAL 109 5.495 -5.343 4.893 659 HA VAL 109 HA VAL 109 3.567 -3.272 4.019 660 HB VAL 109 HB VAL 109 4.877 -1.632 5.529 661 HG11 VAL 109 HG11 VAL 109 2.567 -2.250 5.983 662 HG12 VAL 109 HG12 VAL 109 3.514 -1.976 7.466 663 HG13 VAL 109 HG13 VAL 109 3.129 -3.642 6.957 664 HG21 VAL 109 HG21 VAL 109 5.926 -2.422 7.487 665 HG22 VAL 109 HG22 VAL 109 6.606 -3.344 6.113 666 HG23 VAL 109 HG23 VAL 109 5.437 -4.111 7.188 667 H ILE 110 H ILE 110 4.595 -1.394 3.101 668 HA ILE 110 HA ILE 110 7.448 -1.666 2.266 669 HB ILE 110 HB ILE 110 5.160 -1.131 0.395 670 HG12 ILE 110 HG12 ILE 110 6.867 -3.623 0.355 671 HG13 ILE 110 HG13 ILE 110 5.270 -3.598 0.982 672 HG21 ILE 110 HG21 ILE 110 8.135 -1.455 -0.196 673 HG22 ILE 110 HG22 ILE 110 7.245 0.082 -0.214 674 HG23 ILE 110 HG23 ILE 110 6.873 -1.141 -1.403 675 HD11 ILE 110 HD11 ILE 110 4.446 -2.925 -1.296 676 HD12 ILE 110 HD12 ILE 110 5.240 -4.527 -1.201 677 HD13 ILE 110 HD13 ILE 110 6.094 -3.134 -1.871 678 H ASN 111 H ASN 111 8.428 0.280 2.409 679 HA ASN 111 HA ASN 111 6.759 2.707 2.961 680 HB2 ASN 111 HB2 ASN 111 9.717 2.169 3.419 681 HB3 ASN 111 HB3 ASN 111 8.862 3.640 3.862 682 HD21 ASN 111 HD21 ASN 111 10.287 2.305 5.756 683 HD22 ASN 111 HD22 ASN 111 9.131 1.711 6.957 684 H GLY 112 H GLY 112 7.061 4.599 1.723 685 HA2 GLY 112 HA2 GLY 112 8.753 4.458 -0.723 686 HA3 GLY 112 HA3 GLY 112 7.002 4.416 -0.909 687 HA PRO 113 HA PRO 113 8.760 8.744 -0.964 688 HB2 PRO 113 HB2 PRO 113 7.772 9.620 -3.338 689 HB3 PRO 113 HB3 PRO 113 9.225 8.604 -3.212 690 HG2 PRO 113 HG2 PRO 113 6.384 7.642 -3.738 691 HG3 PRO 113 HG3 PRO 113 7.838 7.321 -4.706 692 HD2 PRO 113 HD2 PRO 113 6.930 5.598 -2.807 693 HD3 PRO 113 HD3 PRO 113 8.691 5.866 -2.991 694 H GLY 114 H GLY 114 7.755 10.140 0.256 695 HA2 GLY 114 HA2 GLY 114 5.613 11.668 -0.115 696 HA3 GLY 114 HA3 GLY 114 4.817 10.262 0.585 697 H LYS 115 H LYS 115 7.247 9.784 2.316 698 HA LYS 115 HA LYS 115 7.928 10.051 4.409 699 HB2 LYS 115 HB2 LYS 115 9.052 11.926 3.232 700 HB3 LYS 115 HB3 LYS 115 7.788 13.015 3.770 701 HG2 LYS 115 HG2 LYS 115 9.865 13.170 5.069 702 HG3 LYS 115 HG3 LYS 115 8.459 12.838 6.060 703 HD2 LYS 115 HD2 LYS 115 10.460 11.594 6.799 704 HD3 LYS 115 HD3 LYS 115 9.142 10.510 6.369 705 HE2 LYS 115 HE2 LYS 115 10.209 10.109 4.143 706 HE3 LYS 115 HE3 LYS 115 11.535 11.187 4.612 707 HZ1 LYS 115 HZ1 LYS 115 12.123 8.893 5.031 708 HZ2 LYS 115 HZ2 LYS 115 12.013 9.691 6.457 709 HZ3 LYS 115 HZ3 LYS 115 10.807 8.645 5.956 710 H THR 116 H THR 116 4.811 11.522 3.916 711 HA THR 116 HA THR 116 3.982 10.643 6.551 712 HB THR 116 HB THR 116 5.062 12.748 7.188 713 HG1 THR 116 HG1 THR 116 3.432 13.591 8.278 714 HG21 THR 116 HG21 THR 116 3.133 14.123 5.277 715 HG22 THR 116 HG22 THR 116 4.908 14.062 5.139 716 HG23 THR 116 HG23 THR 116 4.147 14.914 6.494 717 H ASN 117 H ASN 117 1.687 10.719 6.806 718 HA ASN 117 HA ASN 117 0.134 11.060 4.322 719 HB2 ASN 117 HB2 ASN 117 -0.740 10.343 7.159 720 HB3 ASN 117 HB3 ASN 117 -1.741 10.262 5.700 721 HD21 ASN 117 HD21 ASN 117 -0.518 8.993 3.817 722 HD22 ASN 117 HD22 ASN 117 0.238 7.492 4.350 723 H GLU 118 H GLU 118 0.897 12.954 7.201 724 HA GLU 118 HA GLU 118 -1.203 14.945 6.729 725 HB2 GLU 118 HB2 GLU 118 1.157 14.910 8.643 726 HB3 GLU 118 HB3 GLU 118 -0.007 16.235 8.483 727 HG2 GLU 118 HG2 GLU 118 -1.855 14.544 8.949 728 HG3 GLU 118 HG3 GLU 118 -0.584 13.396 9.395 729 H TYR 119 H TYR 119 -0.823 15.418 4.570 730 HA TYR 119 HA TYR 119 -0.069 16.765 2.866 731 HB2 TYR 119 HB2 TYR 119 -0.354 18.577 5.264 732 HB3 TYR 119 HB3 TYR 119 -0.366 19.119 3.588 733 HD1 TYR 119 HD1 TYR 119 -2.159 18.508 2.039 734 HD2 TYR 119 HD2 TYR 119 -2.296 17.340 6.186 735 HE1 TYR 119 HE1 TYR 119 -4.507 17.777 1.743 736 HE2 TYR 119 HE2 TYR 119 -4.646 16.562 5.871 737 HH TYR 119 HH TYR 119 -6.295 16.766 2.700 738 H ALA 120 H ALA 120 2.013 15.484 3.078 739 HA ALA 120 HA ALA 120 4.247 15.288 2.901 740 HB1 ALA 120 HB1 ALA 120 3.322 16.104 0.763 741 HB2 ALA 120 HB2 ALA 120 5.000 16.626 0.976 742 HB3 ALA 120 HB3 ALA 120 3.681 17.777 1.257 743 H TYR 121 H TYR 121 3.872 16.740 5.381 744 HA TYR 121 HA TYR 121 6.619 17.904 5.530 745 HB2 TYR 121 HB2 TYR 121 4.909 19.721 5.368 746 HB3 TYR 121 HB3 TYR 121 4.239 19.179 6.903 747 HD1 TYR 121 HD1 TYR 121 7.151 20.686 5.201 748 HD2 TYR 121 HD2 TYR 121 5.473 19.553 9.007 749 HE1 TYR 121 HE1 TYR 121 8.978 21.901 6.364 750 HE2 TYR 121 HE2 TYR 121 7.329 20.750 10.174 751 HH TYR 121 HH TYR 121 9.937 22.388 8.332 752 H1 ACE 6 H1 ACE 6 15.995 -3.777 -13.678 753 H2 ACE 6 H2 ACE 6 16.510 -5.159 -12.679 754 H3 ACE 6 H3 ACE 6 14.934 -5.190 -13.500 755 H THR 7 H THR 7 16.821 -3.465 -10.993 756 HA THR 7 HA THR 7 14.431 -2.236 -9.823 757 HB THR 7 HB THR 7 14.403 -4.697 -9.191 758 HG1 THR 7 HG1 THR 7 13.221 -3.356 -8.100 759 HG21 THR 7 HG21 THR 7 15.782 -5.487 -7.407 760 HG22 THR 7 HG22 THR 7 16.848 -4.957 -8.716 761 HG23 THR 7 HG23 THR 7 16.623 -3.927 -7.282 762 H THR 8 H THR 8 14.993 -1.304 -7.567 763 HA THR 8 HA THR 8 17.679 -0.531 -6.983 764 HB THR 8 HB THR 8 17.567 0.789 -8.989 765 HG1 THR 8 HG1 THR 8 18.710 1.703 -7.363 766 HG21 THR 8 HG21 THR 8 16.088 2.657 -9.304 767 HG22 THR 8 HG22 THR 8 15.247 2.332 -7.775 768 HG23 THR 8 HG23 THR 8 15.124 1.186 -9.129 769 HA PRO 9 HA PRO 9 15.026 1.945 -3.926 770 HB2 PRO 9 HB2 PRO 9 12.378 1.987 -3.872 771 HB3 PRO 9 HB3 PRO 9 13.229 2.702 -5.282 772 HG2 PRO 9 HG2 PRO 9 11.967 0.020 -5.080 773 HG3 PRO 9 HG3 PRO 9 11.796 1.233 -6.387 774 HD2 PRO 9 HD2 PRO 9 13.641 -0.871 -6.434 775 HD3 PRO 9 HD3 PRO 9 13.802 0.649 -7.357 776 H ASP 10 H ASP 10 13.508 1.532 -1.887 777 HA ASP 10 HA ASP 10 13.951 -1.161 -0.841 778 HB2 ASP 10 HB2 ASP 10 13.973 1.089 0.477 779 HB3 ASP 10 HB3 ASP 10 12.218 0.991 0.418 780 HN2 TYS 11 HN2 TYS 11 12.609 -2.784 -1.123 781 HA TYS 11 HA TYS 11 10.262 -2.297 -2.866 782 HB2 TYS 11 HB2 TYS 11 12.523 -4.121 -2.872 783 HB3 TYS 11 HB3 TYS 11 11.070 -5.085 -2.754 784 HD1 TYS 11 HD1 TYS 11 9.599 -5.299 -4.603 785 HD2 TYS 11 HD2 TYS 11 12.439 -2.109 -4.545 786 HE1 TYS 11 HE1 TYS 11 9.018 -4.760 -6.870 787 HE2 TYS 11 HE2 TYS 11 11.609 -1.374 -6.714 788 H GLY 12 H GLY 12 11.046 -3.946 -0.015 789 HA2 GLY 12 HA2 GLY 12 8.703 -3.487 1.199 790 HA3 GLY 12 HA3 GLY 12 8.495 -5.096 0.489 791 H HIS 13 H HIS 13 8.179 -4.744 3.225 792 HA HIS 13 HA HIS 13 10.146 -6.651 4.223 793 HB2 HIS 13 HB2 HIS 13 10.659 -5.425 6.260 794 HB3 HIS 13 HB3 HIS 13 11.311 -4.623 4.847 795 HD1 HIS 13 HD1 HIS 13 9.825 -2.380 3.978 796 HD2 HIS 13 HD2 HIS 13 8.936 -3.943 7.820 797 HE1 HIS 13 HE1 HIS 13 8.244 -0.716 5.110 798 HE2 HIS 13 HE2 HIS 13 8.168 -1.459 7.625 799 HN2 TYS 14 HN2 TYS 14 9.498 -7.723 6.121 800 HA TYS 14 HA TYS 14 6.647 -7.304 6.892 801 HB2 TYS 14 HB2 TYS 14 8.547 -9.595 7.492 802 HB3 TYS 14 HB3 TYS 14 6.919 -9.455 8.096 803 HD1 TYS 14 HD1 TYS 14 8.551 -9.272 4.567 804 HD2 TYS 14 HD2 TYS 14 5.238 -10.660 7.023 805 HE1 TYS 14 HE1 TYS 14 7.898 -10.769 2.879 806 HE2 TYS 14 HE2 TYS 14 4.603 -12.151 5.216 807 H ASP 15 H ASP 15 5.935 -7.131 8.933 808 HA ASP 15 HA ASP 15 7.789 -6.089 10.984 809 HB2 ASP 15 HB2 ASP 15 7.349 -4.273 9.192 810 HB3 ASP 15 HB3 ASP 15 5.720 -4.219 9.773 811 H ASP 16 H ASP 16 6.539 -5.230 12.894 812 HA ASP 16 HA ASP 16 4.014 -6.747 13.388 813 HB2 ASP 16 HB2 ASP 16 6.468 -6.827 15.170 814 HB3 ASP 16 HB3 ASP 16 4.911 -7.582 15.512 815 H LYS 17 H LYS 17 5.330 -3.742 13.452 816 HA LYS 17 HA LYS 17 3.719 -2.805 15.821 817 HB2 LYS 17 HB2 LYS 17 6.419 -1.642 15.137 818 HB3 LYS 17 HB3 LYS 17 5.499 -1.518 16.631 819 HG2 LYS 17 HG2 LYS 17 6.012 -3.938 17.095 820 HG3 LYS 17 HG3 LYS 17 6.978 -3.981 15.599 821 HD2 LYS 17 HD2 LYS 17 8.334 -2.028 16.533 822 HD3 LYS 17 HD3 LYS 17 7.467 -2.266 18.052 823 HE2 LYS 17 HE2 LYS 17 9.493 -3.435 18.313 824 HE3 LYS 17 HE3 LYS 17 8.286 -4.692 18.017 825 HZ1 LYS 17 HZ1 LYS 17 10.067 -3.531 15.927 826 HZ2 LYS 17 HZ2 LYS 17 9.074 -4.794 15.688 827 HZ3 LYS 17 HZ3 LYS 17 10.374 -4.935 16.694 828 H ASP 18 H ASP 18 5.366 -1.893 12.792 829 HA ASP 18 HA ASP 18 3.876 0.653 12.592 830 HB2 ASP 18 HB2 ASP 18 6.139 -0.668 11.044 831 HB3 ASP 18 HB3 ASP 18 5.295 0.741 10.420 832 H THR 19 H THR 19 2.794 -2.271 12.240 833 HA THR 19 HA THR 19 1.559 -2.471 9.675 834 HB THR 19 HB THR 19 1.682 -4.441 11.105 835 HG1 THR 19 HG1 THR 19 -0.015 -4.409 9.805 836 HG21 THR 19 HG21 THR 19 -0.121 -3.116 13.112 837 HG22 THR 19 HG22 THR 19 1.633 -3.325 13.345 838 HG23 THR 19 HG23 THR 19 0.620 -4.742 13.164 839 H LEU 20 H LEU 20 -0.716 -2.341 9.158 840 HA LEU 20 HA LEU 20 -2.325 -0.280 10.571 841 HB2 LEU 20 HB2 LEU 20 -1.897 0.319 8.202 842 HB3 LEU 20 HB3 LEU 20 -2.342 -1.320 7.710 843 HG LEU 20 HG LEU 20 -4.661 -0.870 8.510 844 HD11 LEU 20 HD11 LEU 20 -4.267 0.916 10.151 845 HD12 LEU 20 HD12 LEU 20 -5.322 1.511 8.865 846 HD13 LEU 20 HD13 LEU 20 -3.607 1.971 8.880 847 HD21 LEU 20 HD21 LEU 20 -3.510 1.087 6.473 848 HD22 LEU 20 HD22 LEU 20 -5.215 0.596 6.611 849 HD23 LEU 20 HD23 LEU 20 -3.977 -0.599 6.160 850 H ASP 21 H ASP 21 -3.943 -1.142 11.742 851 HA ASP 21 HA ASP 21 -4.878 -3.901 11.401 852 HB2 ASP 21 HB2 ASP 21 -6.055 -3.497 13.486 853 HB3 ASP 21 HB3 ASP 21 -4.320 -3.257 13.612 854 H LEU 22 H LEU 22 -6.316 -4.211 9.901 855 HA LEU 22 HA LEU 22 -8.160 -2.149 8.907 856 HB2 LEU 22 HB2 LEU 22 -7.202 -4.850 8.080 857 HB3 LEU 22 HB3 LEU 22 -8.881 -4.526 7.676 858 HG LEU 22 HG LEU 22 -8.281 -2.568 6.379 859 HD11 LEU 22 HD11 LEU 22 -6.474 -1.567 7.470 860 HD12 LEU 22 HD12 LEU 22 -5.729 -2.232 6.008 861 HD13 LEU 22 HD13 LEU 22 -5.542 -3.080 7.557 862 HD21 LEU 22 HD21 LEU 22 -6.486 -4.966 5.853 863 HD22 LEU 22 HD22 LEU 22 -6.903 -3.717 4.663 864 HD23 LEU 22 HD23 LEU 22 -8.182 -4.742 5.316 865 H ASN 23 H ASN 23 -8.474 -4.906 11.089 866 HA ASN 23 HA ASN 23 -11.197 -5.445 10.846 867 HB2 ASN 23 HB2 ASN 23 -10.993 -6.184 13.251 868 HB3 ASN 23 HB3 ASN 23 -9.977 -6.985 12.068 869 HD21 ASN 23 HD21 ASN 23 -7.777 -6.973 12.371 870 HD22 ASN 23 HD22 ASN 23 -6.986 -6.065 13.681 871 H THR 24 H THR 24 -12.784 -4.320 11.028 872 HA THR 24 HA THR 24 -13.198 -2.106 12.949 873 HB THR 24 HB THR 24 -11.847 -1.272 11.058 874 HG1 THR 24 HG1 THR 24 -13.195 0.173 12.100 875 HG21 THR 24 HG21 THR 24 -12.774 -1.046 8.844 876 HG22 THR 24 HG22 THR 24 -12.854 -2.752 9.308 877 HG23 THR 24 HG23 THR 24 -14.322 -1.764 9.349 878 HA PRO 25 HA PRO 25 -17.368 -2.811 10.775 879 HB2 PRO 25 HB2 PRO 25 -18.175 -5.339 10.126 880 HB3 PRO 25 HB3 PRO 25 -17.249 -4.283 9.016 881 HG2 PRO 25 HG2 PRO 25 -16.212 -6.531 10.745 882 HG3 PRO 25 HG3 PRO 25 -15.782 -6.126 9.057 883 HD2 PRO 25 HD2 PRO 25 -14.293 -5.423 11.241 884 HD3 PRO 25 HD3 PRO 25 -14.307 -4.491 9.707 885 H VAL 26 H VAL 26 -18.931 -2.639 12.224 886 HA VAL 26 HA VAL 26 -19.144 -4.478 14.541 887 HB VAL 26 HB VAL 26 -17.492 -2.677 14.972 888 HG11 VAL 26 HG11 VAL 26 -19.804 -0.716 14.813 889 HG12 VAL 26 HG12 VAL 26 -18.438 -0.831 13.681 890 HG13 VAL 26 HG13 VAL 26 -18.154 -0.376 15.364 891 HG21 VAL 26 HG21 VAL 26 -18.193 -2.075 17.168 892 HG22 VAL 26 HG22 VAL 26 -18.696 -3.738 16.826 893 HG23 VAL 26 HG23 VAL 26 -19.889 -2.420 16.803 894 H ASP 27 H ASP 27 -20.790 -4.327 12.343 895 HA ASP 27 HA ASP 27 -23.375 -3.779 13.657 896 HB2 ASP 27 HB2 ASP 27 -24.305 -2.480 11.904 897 HB3 ASP 27 HB3 ASP 27 -22.835 -1.685 12.445 898 H LYS 28 H LYS 28 -22.002 -4.928 10.526 899 HA LYS 28 HA LYS 28 -23.645 -7.428 10.744 900 HB2 LYS 28 HB2 LYS 28 -23.562 -5.591 8.314 901 HB3 LYS 28 HB3 LYS 28 -24.270 -7.214 8.358 902 HG2 LYS 28 HG2 LYS 28 -25.850 -6.458 10.139 903 HG3 LYS 28 HG3 LYS 28 -25.230 -4.813 9.957 904 HD2 LYS 28 HD2 LYS 28 -26.633 -6.437 7.796 905 HD3 LYS 28 HD3 LYS 28 -27.336 -5.130 8.760 906 HE2 LYS 28 HE2 LYS 28 -25.597 -3.568 7.843 907 HE3 LYS 28 HE3 LYS 28 -25.031 -4.864 6.780 908 HZ1 LYS 28 HZ1 LYS 28 -27.169 -4.892 5.711 909 HZ2 LYS 28 HZ2 LYS 28 -27.798 -3.781 6.763 910 HZ3 LYS 28 HZ3 LYS 28 -26.610 -3.351 5.703 911 HN1 NH2 29 HN1 NH2 29 -20.357 -8.642 10.203 912 HN2 NH2 29 HN2 NH2 29 -21.613 -8.336 11.385 Start of MODEL 22 1 H1 ASN 31 H1 ASN 31 14.105 12.117 -13.934 2 H2 ASN 31 H2 ASN 31 14.689 13.523 -14.542 3 H3 ASN 31 H3 ASN 31 14.512 13.345 -12.909 4 HA ASN 31 HA ASN 31 12.140 13.075 -13.188 5 HB2 ASN 31 HB2 ASN 31 11.592 15.414 -13.496 6 HB3 ASN 31 HB3 ASN 31 13.011 15.254 -12.481 7 HD21 ASN 31 HD21 ASN 31 11.885 17.424 -14.461 8 HD22 ASN 31 HD22 ASN 31 13.355 17.896 -15.284 9 H SER 32 H SER 32 10.919 11.954 -14.549 10 HA SER 32 HA SER 32 11.017 12.514 -17.495 11 HB2 SER 32 HB2 SER 32 12.620 10.682 -16.563 12 HB3 SER 32 HB3 SER 32 11.152 9.711 -16.369 13 HG SER 32 HG SER 32 12.065 9.311 -18.341 14 H GLY 33 H GLY 33 8.941 12.809 -15.205 15 HA2 GLY 33 HA2 GLY 33 6.575 12.880 -15.477 16 HA3 GLY 33 HA3 GLY 33 6.629 11.468 -16.535 17 H LEU 34 H LEU 34 4.923 11.748 -14.295 18 HA LEU 34 HA LEU 34 5.650 9.341 -12.767 19 HB2 LEU 34 HB2 LEU 34 4.860 12.012 -11.525 20 HB3 LEU 34 HB3 LEU 34 4.812 10.496 -10.648 21 HG LEU 34 HG LEU 34 7.332 11.797 -11.761 22 HD11 LEU 34 HD11 LEU 34 7.843 12.202 -9.383 23 HD12 LEU 34 HD12 LEU 34 6.277 11.500 -8.922 24 HD13 LEU 34 HD13 LEU 34 6.340 13.008 -9.868 25 HD21 LEU 34 HD21 LEU 34 8.534 10.129 -10.417 26 HD22 LEU 34 HD22 LEU 34 7.554 9.309 -11.633 27 HD23 LEU 34 HD23 LEU 34 7.005 9.363 -9.946 28 HA PRO 35 HA PRO 35 1.334 8.599 -13.515 29 HB2 PRO 35 HB2 PRO 35 0.764 6.616 -11.738 30 HB3 PRO 35 HB3 PRO 35 1.961 6.404 -13.054 31 HG2 PRO 35 HG2 PRO 35 2.534 7.152 -10.178 32 HG3 PRO 35 HG3 PRO 35 3.235 5.821 -11.163 33 HD2 PRO 35 HD2 PRO 35 4.476 8.239 -10.922 34 HD3 PRO 35 HD3 PRO 35 4.520 7.318 -12.453 35 H THR 36 H THR 36 -0.800 8.401 -12.418 36 HA THR 36 HA THR 36 -1.208 10.082 -9.966 37 HB THR 36 HB THR 36 -3.109 11.152 -11.179 38 HG1 THR 36 HG1 THR 36 -3.446 10.724 -13.233 39 HG21 THR 36 HG21 THR 36 -0.483 11.632 -12.645 40 HG22 THR 36 HG22 THR 36 -0.879 12.302 -11.041 41 HG23 THR 36 HG23 THR 36 -1.852 12.747 -12.453 42 H THR 37 H THR 37 -2.145 7.133 -11.565 43 HA THR 37 HA THR 37 -4.624 7.119 -9.918 44 HB THR 37 HB THR 37 -5.773 5.858 -11.631 45 HG1 THR 37 HG1 THR 37 -4.907 5.636 -13.647 46 HG21 THR 37 HG21 THR 37 -5.972 8.326 -11.611 47 HG22 THR 37 HG22 THR 37 -6.189 7.613 -13.218 48 HG23 THR 37 HG23 THR 37 -4.663 8.419 -12.815 49 H LEU 38 H LEU 38 -5.490 5.207 -9.177 50 HA LEU 38 HA LEU 38 -3.566 3.566 -7.966 51 HB2 LEU 38 HB2 LEU 38 -6.210 4.074 -7.616 52 HB3 LEU 38 HB3 LEU 38 -6.304 2.456 -8.306 53 HG LEU 38 HG LEU 38 -4.872 3.324 -5.776 54 HD11 LEU 38 HD11 LEU 38 -7.305 1.548 -6.255 55 HD12 LEU 38 HD12 LEU 38 -7.321 3.197 -5.597 56 HD13 LEU 38 HD13 LEU 38 -6.568 1.887 -4.675 57 HD21 LEU 38 HD21 LEU 38 -4.544 0.874 -5.344 58 HD22 LEU 38 HD22 LEU 38 -3.560 1.487 -6.668 59 HD23 LEU 38 HD23 LEU 38 -5.033 0.550 -7.021 60 H GLY 39 H GLY 39 -5.234 3.011 -11.073 61 HA2 GLY 39 HA2 GLY 39 -4.719 0.284 -11.521 62 HA3 GLY 39 HA3 GLY 39 -4.750 1.534 -12.774 63 H LYS 40 H LYS 40 -2.471 3.014 -12.006 64 HA LYS 40 HA LYS 40 -0.289 1.305 -12.993 65 HB2 LYS 40 HB2 LYS 40 -0.339 4.209 -12.076 66 HB3 LYS 40 HB3 LYS 40 1.048 3.381 -12.799 67 HG2 LYS 40 HG2 LYS 40 -0.375 2.925 -14.854 68 HG3 LYS 40 HG3 LYS 40 -1.630 3.966 -14.144 69 HD2 LYS 40 HD2 LYS 40 -0.014 5.843 -14.055 70 HD3 LYS 40 HD3 LYS 40 1.243 4.791 -14.725 71 HE2 LYS 40 HE2 LYS 40 0.536 6.099 -16.515 72 HE3 LYS 40 HE3 LYS 40 -0.222 4.524 -16.791 73 HZ1 LYS 40 HZ1 LYS 40 -2.310 5.426 -16.090 74 HZ2 LYS 40 HZ2 LYS 40 -1.621 6.779 -15.450 75 HZ3 LYS 40 HZ3 LYS 40 -1.645 6.577 -17.069 76 H LEU 41 H LEU 41 -1.181 2.770 -9.864 77 HA LEU 41 HA LEU 41 1.286 2.015 -8.579 78 HB2 LEU 41 HB2 LEU 41 -0.070 3.844 -7.740 79 HB3 LEU 41 HB3 LEU 41 -1.433 2.755 -7.444 80 HG LEU 41 HG LEU 41 -0.174 1.566 -5.718 81 HD11 LEU 41 HD11 LEU 41 1.962 2.357 -4.890 82 HD12 LEU 41 HD12 LEU 41 2.074 3.578 -6.183 83 HD13 LEU 41 HD13 LEU 41 2.161 1.835 -6.551 84 HD21 LEU 41 HD21 LEU 41 0.005 3.335 -4.055 85 HD22 LEU 41 HD22 LEU 41 -1.455 3.537 -5.062 86 HD23 LEU 41 HD23 LEU 41 -0.033 4.572 -5.337 87 H ASP 42 H ASP 42 -1.922 0.390 -8.696 88 HA ASP 42 HA ASP 42 -1.298 -1.895 -7.090 89 HB2 ASP 42 HB2 ASP 42 -3.571 -1.420 -7.758 90 HB3 ASP 42 HB3 ASP 42 -3.134 -1.388 -9.467 91 H GLU 43 H GLU 43 -0.690 -1.296 -10.534 92 HA GLU 43 HA GLU 43 0.443 -3.885 -11.075 93 HB2 GLU 43 HB2 GLU 43 -0.424 -2.316 -12.764 94 HB3 GLU 43 HB3 GLU 43 0.913 -1.205 -12.459 95 HG2 GLU 43 HG2 GLU 43 2.508 -2.697 -13.404 96 HG3 GLU 43 HG3 GLU 43 1.411 -4.080 -13.275 97 H ARG 44 H ARG 44 1.923 -0.819 -9.922 98 HA ARG 44 HA ARG 44 4.623 -1.868 -9.787 99 HB2 ARG 44 HB2 ARG 44 3.828 0.605 -9.724 100 HB3 ARG 44 HB3 ARG 44 3.570 0.329 -7.994 101 HG2 ARG 44 HG2 ARG 44 5.993 -0.570 -7.927 102 HG3 ARG 44 HG3 ARG 44 6.169 0.021 -9.574 103 HD2 ARG 44 HD2 ARG 44 5.503 1.639 -7.096 104 HD3 ARG 44 HD3 ARG 44 7.066 1.588 -7.928 105 HE ARG 44 HE ARG 44 5.614 2.518 -9.938 106 HH11 ARG 44 HH11 ARG 44 5.362 3.542 -6.555 107 HH12 ARG 44 HH12 ARG 44 4.657 5.077 -7.009 108 HH21 ARG 44 HH21 ARG 44 4.779 4.501 -10.375 109 HH22 ARG 44 HH22 ARG 44 4.665 5.706 -9.078 110 H LEU 45 H LEU 45 1.992 -1.706 -7.333 111 HA LEU 45 HA LEU 45 3.588 -2.818 -5.207 112 HB2 LEU 45 HB2 LEU 45 0.593 -2.559 -5.630 113 HB3 LEU 45 HB3 LEU 45 1.304 -3.160 -4.137 114 HG LEU 45 HG LEU 45 1.903 -0.395 -5.283 115 HD11 LEU 45 HD11 LEU 45 0.402 0.430 -3.510 116 HD12 LEU 45 HD12 LEU 45 -0.009 -1.242 -3.078 117 HD13 LEU 45 HD13 LEU 45 -0.464 -0.601 -4.668 118 HD21 LEU 45 HD21 LEU 45 2.439 -1.563 -2.526 119 HD22 LEU 45 HD22 LEU 45 2.724 0.111 -3.027 120 HD23 LEU 45 HD23 LEU 45 3.667 -1.187 -3.753 121 H ARG 46 H ARG 46 1.511 -4.436 -7.636 122 HA ARG 46 HA ARG 46 1.932 -7.090 -6.478 123 HB2 ARG 46 HB2 ARG 46 1.115 -6.192 -9.270 124 HB3 ARG 46 HB3 ARG 46 1.229 -7.888 -8.764 125 HG2 ARG 46 HG2 ARG 46 -0.429 -7.490 -6.961 126 HG3 ARG 46 HG3 ARG 46 -0.534 -5.793 -7.421 127 HD2 ARG 46 HD2 ARG 46 -1.259 -6.666 -9.757 128 HD3 ARG 46 HD3 ARG 46 -1.535 -8.214 -8.947 129 HE ARG 46 HE ARG 46 -2.831 -5.579 -8.241 130 HH11 ARG 46 HH11 ARG 46 -3.365 -9.110 -8.400 131 HH12 ARG 46 HH12 ARG 46 -5.004 -8.845 -7.823 132 HH21 ARG 46 HH21 ARG 46 -4.695 -5.477 -7.457 133 HH22 ARG 46 HH22 ARG 46 -5.722 -6.911 -7.190 134 H ASN 47 H ASN 47 3.795 -5.078 -8.749 135 HA ASN 47 HA ASN 47 5.858 -7.112 -9.174 136 HB2 ASN 47 HB2 ASN 47 5.723 -4.107 -9.585 137 HB3 ASN 47 HB3 ASN 47 7.261 -4.942 -9.634 138 HD21 ASN 47 HD21 ASN 47 4.225 -4.444 -11.322 139 HD22 ASN 47 HD22 ASN 47 4.778 -5.192 -12.814 140 H TYR 48 H TYR 48 5.630 -4.386 -6.788 141 HA TYR 48 HA TYR 48 7.933 -5.020 -5.338 142 HB2 TYR 48 HB2 TYR 48 5.345 -3.776 -4.514 143 HB3 TYR 48 HB3 TYR 48 6.588 -4.088 -3.418 144 HD1 TYR 48 HD1 TYR 48 8.903 -3.115 -3.846 145 HD2 TYR 48 HD2 TYR 48 5.245 -1.500 -5.358 146 HE1 TYR 48 HE1 TYR 48 9.979 -0.876 -3.974 147 HE2 TYR 48 HE2 TYR 48 6.233 0.779 -5.284 148 HH TYR 48 HH TYR 48 9.694 1.259 -4.642 149 H LEU 49 H LEU 49 4.721 -6.572 -4.992 150 HA LEU 49 HA LEU 49 5.514 -8.094 -2.690 151 HB2 LEU 49 HB2 LEU 49 3.312 -8.164 -4.730 152 HB3 LEU 49 HB3 LEU 49 3.671 -9.722 -4.008 153 HG LEU 49 HG LEU 49 3.129 -7.240 -2.363 154 HD11 LEU 49 HD11 LEU 49 1.272 -9.528 -3.190 155 HD12 LEU 49 HD12 LEU 49 1.123 -7.821 -3.674 156 HD13 LEU 49 HD13 LEU 49 0.890 -8.291 -1.980 157 HD21 LEU 49 HD21 LEU 49 3.167 -10.197 -1.639 158 HD22 LEU 49 HD22 LEU 49 2.694 -8.866 -0.552 159 HD23 LEU 49 HD23 LEU 49 4.343 -8.970 -1.145 160 H LYS 50 H LYS 50 5.629 -8.999 -6.157 161 HA LYS 50 HA LYS 50 6.751 -11.604 -5.600 162 HB2 LYS 50 HB2 LYS 50 6.977 -9.964 -8.148 163 HB3 LYS 50 HB3 LYS 50 7.265 -11.705 -7.921 164 HG2 LYS 50 HG2 LYS 50 4.911 -12.078 -7.356 165 HG3 LYS 50 HG3 LYS 50 4.555 -10.362 -7.531 166 HD2 LYS 50 HD2 LYS 50 5.507 -12.225 -9.727 167 HD3 LYS 50 HD3 LYS 50 3.859 -11.640 -9.512 168 HE2 LYS 50 HE2 LYS 50 4.571 -9.343 -9.983 169 HE3 LYS 50 HE3 LYS 50 6.266 -9.843 -10.078 170 HZ1 LYS 50 HZ1 LYS 50 5.251 -9.670 -12.278 171 HZ2 LYS 50 HZ2 LYS 50 4.120 -10.801 -11.886 172 HZ3 LYS 50 HZ3 LYS 50 5.712 -11.219 -11.999 173 H LYS 51 H LYS 51 8.337 -8.498 -6.464 174 HA LYS 51 HA LYS 51 11.055 -9.510 -6.278 175 HB2 LYS 51 HB2 LYS 51 9.760 -6.825 -6.376 176 HB3 LYS 51 HB3 LYS 51 11.330 -6.933 -5.560 177 HG2 LYS 51 HG2 LYS 51 12.297 -8.010 -7.531 178 HG3 LYS 51 HG3 LYS 51 10.772 -7.770 -8.419 179 HD2 LYS 51 HD2 LYS 51 10.986 -5.418 -8.312 180 HD3 LYS 51 HD3 LYS 51 12.267 -5.463 -7.104 181 HE2 LYS 51 HE2 LYS 51 12.539 -6.351 -10.003 182 HE3 LYS 51 HE3 LYS 51 13.071 -4.811 -9.314 183 HZ1 LYS 51 HZ1 LYS 51 14.495 -6.186 -7.763 184 HZ2 LYS 51 HZ2 LYS 51 14.965 -6.191 -9.333 185 HZ3 LYS 51 HZ3 LYS 51 14.183 -7.490 -8.701 186 H GLY 52 H GLY 52 8.833 -8.163 -3.803 187 HA2 GLY 52 HA2 GLY 52 11.094 -7.901 -1.981 188 HA3 GLY 52 HA3 GLY 52 9.497 -7.198 -1.825 189 H THR 53 H THR 53 8.499 -10.220 -2.256 190 HA THR 53 HA THR 53 9.020 -11.145 0.535 191 HB THR 53 HB THR 53 6.881 -12.089 0.587 192 HG1 THR 53 HG1 THR 53 6.555 -11.199 -2.137 193 HG21 THR 53 HG21 THR 53 5.402 -10.229 0.482 194 HG22 THR 53 HG22 THR 53 6.485 -9.365 -0.644 195 HG23 THR 53 HG23 THR 53 6.984 -9.672 1.029 196 H LYS 54 H LYS 54 9.155 -13.363 0.950 197 HA LYS 54 HA LYS 54 10.567 -14.880 -1.036 198 HB2 LYS 54 HB2 LYS 54 9.438 -15.719 1.652 199 HB3 LYS 54 HB3 LYS 54 10.582 -16.662 0.704 200 HG2 LYS 54 HG2 LYS 54 12.341 -15.064 1.026 201 HG3 LYS 54 HG3 LYS 54 11.231 -13.830 1.635 202 HD2 LYS 54 HD2 LYS 54 10.690 -15.282 3.582 203 HD3 LYS 54 HD3 LYS 54 11.947 -16.425 3.050 204 HE2 LYS 54 HE2 LYS 54 13.667 -14.729 3.321 205 HE3 LYS 54 HE3 LYS 54 12.460 -13.462 3.565 206 HZ1 LYS 54 HZ1 LYS 54 12.941 -15.722 5.423 207 HZ2 LYS 54 HZ2 LYS 54 11.820 -14.562 5.649 208 HZ3 LYS 54 HZ3 LYS 54 13.396 -14.159 5.674 209 H ASN 55 H ASN 55 7.203 -14.930 0.112 210 HA ASN 55 HA ASN 55 6.451 -16.125 -2.449 211 HB2 ASN 55 HB2 ASN 55 6.547 -18.102 -0.964 212 HB3 ASN 55 HB3 ASN 55 5.601 -17.254 0.268 213 HD21 ASN 55 HD21 ASN 55 3.964 -18.974 0.226 214 HD22 ASN 55 HD22 ASN 55 2.906 -19.104 -1.157 215 H SER 56 H SER 56 5.299 -14.529 -3.269 216 HA SER 56 HA SER 56 3.595 -12.739 -1.845 217 HB2 SER 56 HB2 SER 56 2.886 -12.050 -4.132 218 HB3 SER 56 HB3 SER 56 4.644 -12.143 -3.934 219 HG SER 56 HG SER 56 2.904 -13.849 -5.374 220 H ALA 57 H ALA 57 2.868 -16.014 -2.883 221 HA ALA 57 HA ALA 57 0.163 -15.512 -3.685 222 HB1 ALA 57 HB1 ALA 57 0.035 -17.949 -3.869 223 HB2 ALA 57 HB2 ALA 57 1.520 -18.124 -2.914 224 HB3 ALA 57 HB3 ALA 57 1.575 -17.366 -4.521 225 H GLN 58 H GLN 58 1.311 -15.526 -0.515 226 HA GLN 58 HA GLN 58 -0.981 -16.840 0.740 227 HB2 GLN 58 HB2 GLN 58 0.172 -16.265 2.824 228 HB3 GLN 58 HB3 GLN 58 1.247 -17.070 1.681 229 HG2 GLN 58 HG2 GLN 58 2.220 -14.839 1.057 230 HG3 GLN 58 HG3 GLN 58 1.203 -14.058 2.244 231 HE21 GLN 58 HE21 GLN 58 4.283 -14.970 1.707 232 HE22 GLN 58 HE22 GLN 58 4.715 -15.503 3.324 233 H PHE 59 H PHE 59 -0.380 -13.629 -0.386 234 HA PHE 59 HA PHE 59 -1.906 -12.278 1.699 235 HB2 PHE 59 HB2 PHE 59 -0.687 -11.244 -0.854 236 HB3 PHE 59 HB3 PHE 59 -1.450 -10.257 0.389 237 HD1 PHE 59 HD1 PHE 59 -0.458 -10.211 2.750 238 HD2 PHE 59 HD2 PHE 59 1.613 -11.973 -0.573 239 HE1 PHE 59 HE1 PHE 59 1.655 -10.174 4.047 240 HE2 PHE 59 HE2 PHE 59 3.718 -11.984 0.735 241 HZ PHE 59 HZ PHE 59 3.747 -11.056 3.033 242 H GLU 60 H GLU 60 -3.844 -11.033 1.420 243 HA GLU 60 HA GLU 60 -5.634 -12.066 -0.772 244 HB2 GLU 60 HB2 GLU 60 -7.521 -11.961 0.696 245 HB3 GLU 60 HB3 GLU 60 -6.301 -13.074 1.311 246 HG2 GLU 60 HG2 GLU 60 -5.605 -11.527 2.985 247 HG3 GLU 60 HG3 GLU 60 -6.530 -10.213 2.301 248 H LYS 61 H LYS 61 -4.664 -9.271 1.100 249 HA LYS 61 HA LYS 61 -5.629 -7.472 -0.957 250 HB2 LYS 61 HB2 LYS 61 -7.120 -6.148 0.347 251 HB3 LYS 61 HB3 LYS 61 -7.689 -7.801 0.402 252 HG2 LYS 61 HG2 LYS 61 -6.880 -8.040 2.723 253 HG3 LYS 61 HG3 LYS 61 -6.144 -6.440 2.659 254 HD2 LYS 61 HD2 LYS 61 -8.134 -5.326 2.764 255 HD3 LYS 61 HD3 LYS 61 -9.049 -6.571 1.938 256 HE2 LYS 61 HE2 LYS 61 -7.937 -7.055 4.719 257 HE3 LYS 61 HE3 LYS 61 -9.416 -6.131 4.494 258 HZ1 LYS 61 HZ1 LYS 61 -9.023 -8.974 3.725 259 HZ2 LYS 61 HZ2 LYS 61 -10.368 -8.069 3.326 260 HZ3 LYS 61 HZ3 LYS 61 -9.985 -8.383 4.883 261 H MET 62 H MET 62 -5.266 -5.237 -0.350 262 HA MET 62 HA MET 62 -3.079 -4.667 1.521 263 HB2 MET 62 HB2 MET 62 -1.668 -3.594 -0.145 264 HB3 MET 62 HB3 MET 62 -1.928 -5.286 -0.564 265 HG2 MET 62 HG2 MET 62 -3.621 -4.635 -2.240 266 HG3 MET 62 HG3 MET 62 -3.394 -2.933 -1.817 267 HE1 MET 62 HE1 MET 62 -3.262 -4.116 -4.770 268 HE2 MET 62 HE2 MET 62 -1.865 -3.252 -5.427 269 HE3 MET 62 HE3 MET 62 -3.040 -2.387 -4.408 270 H VAL 63 H VAL 63 -2.756 -2.388 1.872 271 HA VAL 63 HA VAL 63 -4.878 -0.551 0.940 272 HB VAL 63 HB VAL 63 -5.730 -1.629 3.001 273 HG11 VAL 63 HG11 VAL 63 -3.591 -0.298 4.618 274 HG12 VAL 63 HG12 VAL 63 -3.346 -1.904 3.938 275 HG13 VAL 63 HG13 VAL 63 -4.722 -1.648 5.000 276 HG21 VAL 63 HG21 VAL 63 -5.029 1.294 3.466 277 HG22 VAL 63 HG22 VAL 63 -6.251 0.345 4.335 278 HG23 VAL 63 HG23 VAL 63 -6.461 0.671 2.613 279 H ILE 64 H ILE 64 -4.260 1.531 0.835 280 HA ILE 64 HA ILE 64 -1.299 2.009 0.954 281 HB ILE 64 HB ILE 64 -3.389 2.812 -1.107 282 HG12 ILE 64 HG12 ILE 64 -1.172 0.784 -1.573 283 HG13 ILE 64 HG13 ILE 64 -2.783 0.294 -1.062 284 HG21 ILE 64 HG21 ILE 64 -1.457 4.408 -0.925 285 HG22 ILE 64 HG22 ILE 64 -1.550 3.605 -2.475 286 HG23 ILE 64 HG23 ILE 64 -0.352 3.060 -1.277 287 HD11 ILE 64 HD11 ILE 64 -2.119 1.716 -3.649 288 HD12 ILE 64 HD12 ILE 64 -3.769 1.405 -3.055 289 HD13 ILE 64 HD13 ILE 64 -2.682 0.054 -3.424 290 H LEU 65 H LEU 65 -0.657 3.882 1.901 291 HA LEU 65 HA LEU 65 -2.685 6.010 2.445 292 HB2 LEU 65 HB2 LEU 65 -0.294 5.424 4.207 293 HB3 LEU 65 HB3 LEU 65 -1.629 6.529 4.504 294 HG LEU 65 HG LEU 65 -1.744 3.496 4.587 295 HD11 LEU 65 HD11 LEU 65 -2.223 3.824 6.961 296 HD12 LEU 65 HD12 LEU 65 -2.222 5.586 6.758 297 HD13 LEU 65 HD13 LEU 65 -0.715 4.682 6.557 298 HD21 LEU 65 HD21 LEU 65 -3.908 4.306 3.738 299 HD22 LEU 65 HD22 LEU 65 -3.963 5.544 5.007 300 HD23 LEU 65 HD23 LEU 65 -4.067 3.814 5.423 301 H THR 66 H THR 66 -2.272 7.822 1.362 302 HA THR 66 HA THR 66 0.495 8.308 0.288 303 HB THR 66 HB THR 66 -0.556 9.636 -1.450 304 HG1 THR 66 HG1 THR 66 -2.364 10.392 -0.375 305 HG21 THR 66 HG21 THR 66 -0.322 7.195 -1.848 306 HG22 THR 66 HG22 THR 66 -1.687 7.919 -2.720 307 HG23 THR 66 HG23 THR 66 -1.988 6.960 -1.258 308 H GLU 67 H GLU 67 0.926 10.769 -0.172 309 HA GLU 67 HA GLU 67 0.509 12.476 2.069 310 HB2 GLU 67 HB2 GLU 67 0.439 13.602 -0.711 311 HB3 GLU 67 HB3 GLU 67 1.074 14.314 0.744 312 HG2 GLU 67 HG2 GLU 67 3.082 13.012 0.640 313 HG3 GLU 67 HG3 GLU 67 2.429 11.970 -0.639 314 H ASN 68 H ASN 68 -0.819 14.573 1.791 315 HA ASN 68 HA ASN 68 -2.849 15.526 2.087 316 HB2 ASN 68 HB2 ASN 68 -3.220 14.269 -0.651 317 HB3 ASN 68 HB3 ASN 68 -4.296 15.484 -0.021 318 HD21 ASN 68 HD21 ASN 68 -1.471 14.962 -1.772 319 HD22 ASN 68 HD22 ASN 68 -0.723 16.544 -1.577 320 H LYS 69 H LYS 69 -2.617 12.942 3.343 321 HA LYS 69 HA LYS 69 -3.806 11.504 4.579 322 HB2 LYS 69 HB2 LYS 69 -6.027 13.563 4.294 323 HB3 LYS 69 HB3 LYS 69 -5.888 12.335 5.561 324 HG2 LYS 69 HG2 LYS 69 -3.724 13.307 6.290 325 HG3 LYS 69 HG3 LYS 69 -3.847 14.559 5.062 326 HD2 LYS 69 HD2 LYS 69 -5.689 14.238 7.452 327 HD3 LYS 69 HD3 LYS 69 -4.383 15.421 7.226 328 HE2 LYS 69 HE2 LYS 69 -5.634 16.220 5.146 329 HE3 LYS 69 HE3 LYS 69 -7.012 15.261 5.704 330 HZ1 LYS 69 HZ1 LYS 69 -7.104 17.589 6.429 331 HZ2 LYS 69 HZ2 LYS 69 -5.694 17.437 7.253 332 HZ3 LYS 69 HZ3 LYS 69 -7.061 16.601 7.724 333 H GLY 70 H GLY 70 -3.881 11.076 1.652 334 HA2 GLY 70 HA2 GLY 70 -6.366 9.801 0.972 335 HA3 GLY 70 HA3 GLY 70 -4.819 9.524 0.189 336 H TYR 71 H TYR 71 -7.036 7.779 1.071 337 HA TYR 71 HA TYR 71 -5.469 5.541 2.202 338 HB2 TYR 71 HB2 TYR 71 -6.600 6.530 4.130 339 HB3 TYR 71 HB3 TYR 71 -8.136 6.529 3.286 340 HD1 TYR 71 HD1 TYR 71 -9.064 4.129 2.557 341 HD2 TYR 71 HD2 TYR 71 -6.174 4.797 5.706 342 HE1 TYR 71 HE1 TYR 71 -9.743 2.005 3.656 343 HE2 TYR 71 HE2 TYR 71 -6.904 2.738 6.809 344 HH TYR 71 HH TYR 71 -8.493 1.147 6.883 345 H TYR 72 H TYR 72 -5.801 3.819 0.899 346 HA TYR 72 HA TYR 72 -8.336 3.481 -0.649 347 HB2 TYR 72 HB2 TYR 72 -5.559 3.286 -1.879 348 HB3 TYR 72 HB3 TYR 72 -7.100 3.108 -2.695 349 HD1 TYR 72 HD1 TYR 72 -8.514 5.092 -3.190 350 HD2 TYR 72 HD2 TYR 72 -4.615 5.475 -1.378 351 HE1 TYR 72 HE1 TYR 72 -8.477 7.510 -3.775 352 HE2 TYR 72 HE2 TYR 72 -4.585 7.904 -1.961 353 HH TYR 72 HH TYR 72 -7.322 9.447 -3.675 354 H THR 73 H THR 73 -8.850 1.281 -1.043 355 HA THR 73 HA THR 73 -6.917 -0.774 -0.008 356 HB THR 73 HB THR 73 -8.469 -0.456 1.750 357 HG1 THR 73 HG1 THR 73 -9.499 -2.538 1.706 358 HG21 THR 73 HG21 THR 73 -10.748 -0.933 -0.215 359 HG22 THR 73 HG22 THR 73 -10.366 0.608 0.590 360 HG23 THR 73 HG23 THR 73 -10.883 -0.765 1.551 361 H VAL 74 H VAL 74 -6.795 -2.698 -1.035 362 HA VAL 74 HA VAL 74 -8.387 -3.180 -3.519 363 HB VAL 74 HB VAL 74 -5.359 -2.862 -3.363 364 HG11 VAL 74 HG11 VAL 74 -5.395 -3.461 -5.802 365 HG12 VAL 74 HG12 VAL 74 -7.075 -4.016 -5.598 366 HG13 VAL 74 HG13 VAL 74 -5.735 -4.810 -4.736 367 HG21 VAL 74 HG21 VAL 74 -6.477 -0.730 -3.718 368 HG22 VAL 74 HG22 VAL 74 -7.491 -1.427 -5.001 369 HG23 VAL 74 HG23 VAL 74 -5.739 -1.249 -5.233 370 H TYR 75 H TYR 75 -8.927 -5.304 -3.676 371 HA TYR 75 HA TYR 75 -7.594 -7.282 -1.953 372 HB2 TYR 75 HB2 TYR 75 -9.962 -7.378 -3.802 373 HB3 TYR 75 HB3 TYR 75 -9.174 -8.857 -3.270 374 HD1 TYR 75 HD1 TYR 75 -10.760 -5.721 -1.946 375 HD2 TYR 75 HD2 TYR 75 -9.505 -9.756 -1.080 376 HE1 TYR 75 HE1 TYR 75 -11.809 -5.568 0.287 377 HE2 TYR 75 HE2 TYR 75 -10.617 -9.622 1.141 378 HH TYR 75 HH TYR 75 -12.394 -6.695 2.190 379 H LEU 76 H LEU 76 -6.330 -8.893 -2.522 380 HA LEU 76 HA LEU 76 -4.910 -8.755 -5.150 381 HB2 LEU 76 HB2 LEU 76 -4.065 -9.734 -2.392 382 HB3 LEU 76 HB3 LEU 76 -3.087 -9.916 -3.840 383 HG LEU 76 HG LEU 76 -3.957 -7.213 -2.714 384 HD11 LEU 76 HD11 LEU 76 -1.357 -8.768 -2.501 385 HD12 LEU 76 HD12 LEU 76 -2.455 -8.341 -1.169 386 HD13 LEU 76 HD13 LEU 76 -1.573 -7.066 -2.032 387 HD21 LEU 76 HD21 LEU 76 -3.491 -7.044 -5.098 388 HD22 LEU 76 HD22 LEU 76 -2.006 -8.012 -4.924 389 HD23 LEU 76 HD23 LEU 76 -2.114 -6.387 -4.222 390 H ASN 77 H ASN 77 -7.065 -10.788 -3.356 391 HA ASN 77 HA ASN 77 -6.338 -13.269 -4.669 392 HB2 ASN 77 HB2 ASN 77 -7.859 -12.990 -2.604 393 HB3 ASN 77 HB3 ASN 77 -9.126 -12.467 -3.722 394 HD21 ASN 77 HD21 ASN 77 -10.546 -14.261 -3.874 395 HD22 ASN 77 HD22 ASN 77 -9.968 -15.906 -4.150 396 H THR 78 H THR 78 -7.379 -10.400 -6.038 397 HA THR 78 HA THR 78 -8.385 -11.621 -8.525 398 HB THR 78 HB THR 78 -10.166 -9.828 -8.562 399 HG1 THR 78 HG1 THR 78 -10.737 -9.172 -6.304 400 HG21 THR 78 HG21 THR 78 -10.509 -11.708 -6.193 401 HG22 THR 78 HG22 THR 78 -10.691 -12.198 -7.892 402 HG23 THR 78 HG23 THR 78 -11.777 -10.982 -7.203 403 HA PRO 79 HA PRO 79 -6.051 -8.051 -10.208 404 HB2 PRO 79 HB2 PRO 79 -8.046 -8.111 -12.445 405 HB3 PRO 79 HB3 PRO 79 -6.258 -8.157 -12.523 406 HG2 PRO 79 HG2 PRO 79 -7.723 -10.391 -12.981 407 HG3 PRO 79 HG3 PRO 79 -6.220 -10.479 -11.999 408 HD2 PRO 79 HD2 PRO 79 -9.079 -10.296 -10.998 409 HD3 PRO 79 HD3 PRO 79 -7.780 -11.441 -10.530 410 H LEU 80 H LEU 80 -6.366 -5.779 -10.538 411 HA LEU 80 HA LEU 80 -8.693 -4.534 -9.386 412 HB2 LEU 80 HB2 LEU 80 -6.136 -3.754 -9.718 413 HB3 LEU 80 HB3 LEU 80 -6.751 -3.125 -11.237 414 HG LEU 80 HG LEU 80 -8.494 -1.836 -9.854 415 HD11 LEU 80 HD11 LEU 80 -7.900 -1.508 -7.441 416 HD12 LEU 80 HD12 LEU 80 -6.649 -2.753 -7.618 417 HD13 LEU 80 HD13 LEU 80 -8.359 -3.190 -7.763 418 HD21 LEU 80 HD21 LEU 80 -6.910 -0.105 -9.127 419 HD22 LEU 80 HD22 LEU 80 -6.412 -0.784 -10.686 420 HD23 LEU 80 HD23 LEU 80 -5.573 -1.268 -9.211 421 H ALA 81 H ALA 81 -10.186 -3.082 -10.493 422 HA ALA 81 HA ALA 81 -10.746 -3.714 -13.359 423 HB1 ALA 81 HB1 ALA 81 -12.764 -3.503 -11.097 424 HB2 ALA 81 HB2 ALA 81 -12.204 -5.033 -11.825 425 HB3 ALA 81 HB3 ALA 81 -13.117 -3.861 -12.793 426 H GLU 82 H GLU 82 -12.196 -2.070 -14.379 427 HA GLU 82 HA GLU 82 -10.725 0.230 -14.485 428 HB2 GLU 82 HB2 GLU 82 -13.580 -0.172 -15.409 429 HB3 GLU 82 HB3 GLU 82 -12.591 1.243 -15.811 430 HG2 GLU 82 HG2 GLU 82 -10.829 -0.317 -16.726 431 HG3 GLU 82 HG3 GLU 82 -11.950 -1.646 -16.517 432 H ASP 83 H ASP 83 -13.676 0.018 -12.465 433 HA ASP 83 HA ASP 83 -13.782 2.899 -11.977 434 HB2 ASP 83 HB2 ASP 83 -15.021 0.599 -10.441 435 HB3 ASP 83 HB3 ASP 83 -15.454 2.302 -10.260 436 H ARG 84 H ARG 84 -11.807 0.440 -10.753 437 HA ARG 84 HA ARG 84 -10.871 1.991 -8.358 438 HB2 ARG 84 HB2 ARG 84 -10.556 -0.944 -9.152 439 HB3 ARG 84 HB3 ARG 84 -9.811 -0.178 -7.747 440 HG2 ARG 84 HG2 ARG 84 -11.998 0.291 -6.774 441 HG3 ARG 84 HG3 ARG 84 -12.824 -0.371 -8.188 442 HD2 ARG 84 HD2 ARG 84 -10.876 -2.034 -6.549 443 HD3 ARG 84 HD3 ARG 84 -12.567 -1.863 -6.074 444 HE ARG 84 HE ARG 84 -13.099 -2.708 -8.459 445 HH11 ARG 84 HH11 ARG 84 -10.560 -4.072 -6.399 446 HH12 ARG 84 HH12 ARG 84 -10.363 -5.469 -7.380 447 HH21 ARG 84 HH21 ARG 84 -13.138 -4.762 -9.354 448 HH22 ARG 84 HH22 ARG 84 -11.925 -5.924 -8.916 449 H LYS 85 H LYS 85 -9.903 0.652 -11.499 450 HA LYS 85 HA LYS 85 -7.081 1.305 -11.317 451 HB2 LYS 85 HB2 LYS 85 -9.025 1.008 -13.615 452 HB3 LYS 85 HB3 LYS 85 -7.324 1.388 -13.876 453 HG2 LYS 85 HG2 LYS 85 -6.633 -0.729 -12.908 454 HG3 LYS 85 HG3 LYS 85 -8.319 -1.148 -12.522 455 HD2 LYS 85 HD2 LYS 85 -8.893 -1.250 -14.883 456 HD3 LYS 85 HD3 LYS 85 -7.307 -0.609 -15.346 457 HE2 LYS 85 HE2 LYS 85 -6.186 -2.595 -14.459 458 HE3 LYS 85 HE3 LYS 85 -7.727 -3.266 -13.898 459 HZ1 LYS 85 HZ1 LYS 85 -7.182 -2.640 -16.748 460 HZ2 LYS 85 HZ2 LYS 85 -8.445 -3.481 -16.153 461 HZ3 LYS 85 HZ3 LYS 85 -6.951 -4.145 -16.076 462 H ASN 86 H ASN 86 -9.893 3.102 -12.565 463 HA ASN 86 HA ASN 86 -8.379 5.408 -13.368 464 HB2 ASN 86 HB2 ASN 86 -11.352 4.812 -13.002 465 HB3 ASN 86 HB3 ASN 86 -10.764 6.327 -13.652 466 HD21 ASN 86 HD21 ASN 86 -12.487 4.816 -15.125 467 HD22 ASN 86 HD22 ASN 86 -11.592 4.329 -16.579 468 H VAL 87 H VAL 87 -8.769 4.590 -10.225 469 HA VAL 87 HA VAL 87 -9.941 6.946 -9.012 470 HB VAL 87 HB VAL 87 -8.318 4.579 -8.010 471 HG11 VAL 87 HG11 VAL 87 -9.018 5.223 -5.723 472 HG12 VAL 87 HG12 VAL 87 -9.644 6.766 -6.343 473 HG13 VAL 87 HG13 VAL 87 -7.897 6.414 -6.397 474 HG21 VAL 87 HG21 VAL 87 -11.214 5.315 -7.645 475 HG22 VAL 87 HG22 VAL 87 -10.376 3.841 -7.103 476 HG23 VAL 87 HG23 VAL 87 -10.566 4.163 -8.835 477 H GLU 88 H GLU 88 -9.029 8.921 -8.910 478 HA GLU 88 HA GLU 88 -6.250 9.474 -9.516 479 HB2 GLU 88 HB2 GLU 88 -8.358 11.212 -8.181 480 HB3 GLU 88 HB3 GLU 88 -6.827 11.781 -8.810 481 HG2 GLU 88 HG2 GLU 88 -8.985 10.520 -10.561 482 HG3 GLU 88 HG3 GLU 88 -8.908 12.234 -10.197 483 H LEU 89 H LEU 89 -4.548 9.401 -8.202 484 HA LEU 89 HA LEU 89 -4.765 8.782 -5.353 485 HB2 LEU 89 HB2 LEU 89 -2.471 9.200 -7.311 486 HB3 LEU 89 HB3 LEU 89 -2.204 8.823 -5.623 487 HG LEU 89 HG LEU 89 -3.799 7.024 -7.503 488 HD11 LEU 89 HD11 LEU 89 -1.452 7.252 -8.259 489 HD12 LEU 89 HD12 LEU 89 -1.791 5.633 -7.632 490 HD13 LEU 89 HD13 LEU 89 -0.886 6.803 -6.640 491 HD21 LEU 89 HD21 LEU 89 -2.531 6.516 -4.771 492 HD22 LEU 89 HD22 LEU 89 -3.332 5.298 -5.785 493 HD23 LEU 89 HD23 LEU 89 -4.277 6.625 -5.107 494 H LEU 90 H LEU 90 -4.867 10.219 -3.791 495 HA LEU 90 HA LEU 90 -4.698 13.024 -4.026 496 HB2 LEU 90 HB2 LEU 90 -4.823 11.000 -1.800 497 HB3 LEU 90 HB3 LEU 90 -4.460 12.648 -1.357 498 HG LEU 90 HG LEU 90 -6.873 11.997 -3.081 499 HD11 LEU 90 HD11 LEU 90 -8.215 12.129 -1.002 500 HD12 LEU 90 HD12 LEU 90 -6.720 12.204 -0.043 501 HD13 LEU 90 HD13 LEU 90 -7.115 10.748 -0.994 502 HD21 LEU 90 HD21 LEU 90 -6.231 14.349 -1.242 503 HD22 LEU 90 HD22 LEU 90 -7.694 14.151 -2.225 504 HD23 LEU 90 HD23 LEU 90 -6.130 14.384 -3.015 505 H GLY 91 H GLY 91 -2.041 10.826 -3.486 506 HA2 GLY 91 HA2 GLY 91 -0.119 12.916 -3.989 507 HA3 GLY 91 HA3 GLY 91 -0.130 12.448 -2.300 508 H LYS 92 H LYS 92 2.135 12.098 -2.993 509 HA LYS 92 HA LYS 92 3.015 9.758 -4.402 510 HB2 LYS 92 HB2 LYS 92 4.189 11.771 -2.492 511 HB3 LYS 92 HB3 LYS 92 4.988 10.253 -2.648 512 HG2 LYS 92 HG2 LYS 92 6.098 11.638 -4.093 513 HG3 LYS 92 HG3 LYS 92 5.185 10.503 -5.086 514 HD2 LYS 92 HD2 LYS 92 3.556 12.240 -5.643 515 HD3 LYS 92 HD3 LYS 92 4.306 13.358 -4.473 516 HE2 LYS 92 HE2 LYS 92 6.428 13.290 -5.715 517 HE3 LYS 92 HE3 LYS 92 5.739 12.147 -6.880 518 HZ1 LYS 92 HZ1 LYS 92 5.668 14.489 -7.680 519 HZ2 LYS 92 HZ2 LYS 92 4.717 14.892 -6.408 520 HZ3 LYS 92 HZ3 LYS 92 4.149 13.851 -7.535 521 H MET 93 H MET 93 3.948 7.888 -3.600 522 HA MET 93 HA MET 93 2.150 6.349 -1.961 523 HB2 MET 93 HB2 MET 93 3.181 5.633 -4.136 524 HB3 MET 93 HB3 MET 93 4.754 5.563 -3.343 525 HG2 MET 93 HG2 MET 93 3.514 3.823 -1.747 526 HG3 MET 93 HG3 MET 93 2.334 3.786 -3.042 527 HE1 MET 93 HE1 MET 93 6.507 1.857 -2.943 528 HE2 MET 93 HE2 MET 93 5.461 2.320 -1.582 529 HE3 MET 93 HE3 MET 93 6.333 3.571 -2.502 530 H TYR 94 H TYR 94 2.916 7.852 0.042 531 HA TYR 94 HA TYR 94 5.378 7.407 1.252 532 HB2 TYR 94 HB2 TYR 94 3.880 9.191 1.910 533 HB3 TYR 94 HB3 TYR 94 2.711 8.058 2.517 534 HD1 TYR 94 HD1 TYR 94 6.400 8.778 3.004 535 HD2 TYR 94 HD2 TYR 94 2.636 7.761 4.836 536 HE1 TYR 94 HE1 TYR 94 7.441 8.951 5.257 537 HE2 TYR 94 HE2 TYR 94 3.664 7.954 7.078 538 HH TYR 94 HH TYR 94 7.133 8.780 7.519 539 H LYS 95 H LYS 95 2.445 5.397 1.775 540 HA LYS 95 HA LYS 95 4.154 3.243 2.911 541 HB2 LYS 95 HB2 LYS 95 3.322 4.968 4.714 542 HB3 LYS 95 HB3 LYS 95 1.731 4.305 4.403 543 HG2 LYS 95 HG2 LYS 95 2.378 3.054 6.210 544 HG3 LYS 95 HG3 LYS 95 2.872 1.984 4.909 545 HD2 LYS 95 HD2 LYS 95 4.649 1.991 6.483 546 HD3 LYS 95 HD3 LYS 95 5.203 2.922 5.096 547 HE2 LYS 95 HE2 LYS 95 5.897 3.952 7.194 548 HE3 LYS 95 HE3 LYS 95 4.822 5.030 6.310 549 HZ1 LYS 95 HZ1 LYS 95 3.946 3.252 8.540 550 HZ2 LYS 95 HZ2 LYS 95 3.039 4.443 7.807 551 HZ3 LYS 95 HZ3 LYS 95 4.318 4.844 8.728 552 H THR 96 H THR 96 3.287 1.185 2.689 553 HA THR 96 HA THR 96 0.392 0.855 2.072 554 HB THR 96 HB THR 96 2.554 -0.651 0.546 555 HG1 THR 96 HG1 THR 96 2.207 1.574 0.019 556 HG21 THR 96 HG21 THR 96 0.679 -1.390 -0.890 557 HG22 THR 96 HG22 THR 96 -0.475 -0.563 0.167 558 HG23 THR 96 HG23 THR 96 0.439 -1.961 0.757 559 H TYR 97 H TYR 97 -0.474 -0.966 2.855 560 HA TYR 97 HA TYR 97 1.172 -2.798 4.584 561 HB2 TYR 97 HB2 TYR 97 -1.640 -1.795 5.157 562 HB3 TYR 97 HB3 TYR 97 -0.737 -2.916 6.112 563 HD1 TYR 97 HD1 TYR 97 1.125 -2.178 7.520 564 HD2 TYR 97 HD2 TYR 97 -1.226 0.622 5.250 565 HE1 TYR 97 HE1 TYR 97 2.130 -0.313 8.803 566 HE2 TYR 97 HE2 TYR 97 -0.287 2.481 6.621 567 HH TYR 97 HH TYR 97 2.247 1.909 9.080 568 H PHE 98 H PHE 98 0.699 -4.966 4.525 569 HA PHE 98 HA PHE 98 -1.403 -5.982 2.640 570 HB2 PHE 98 HB2 PHE 98 1.505 -6.772 2.970 571 HB3 PHE 98 HB3 PHE 98 0.356 -7.644 1.984 572 HD1 PHE 98 HD1 PHE 98 2.191 -4.379 2.291 573 HD2 PHE 98 HD2 PHE 98 -0.062 -7.036 -0.241 574 HE1 PHE 98 HE1 PHE 98 2.852 -3.050 0.295 575 HE2 PHE 98 HE2 PHE 98 0.635 -5.721 -2.236 576 HZ PHE 98 HZ PHE 98 2.114 -3.756 -1.967 577 H PHE 99 H PHE 99 -2.299 -7.981 3.076 578 HA PHE 99 HA PHE 99 -1.954 -9.089 5.849 579 HB2 PHE 99 HB2 PHE 99 -4.560 -8.620 4.338 580 HB3 PHE 99 HB3 PHE 99 -4.365 -9.074 6.020 581 HD1 PHE 99 HD1 PHE 99 -3.841 -6.308 3.560 582 HD2 PHE 99 HD2 PHE 99 -4.307 -7.351 7.702 583 HE1 PHE 99 HE1 PHE 99 -3.806 -3.938 4.144 584 HE2 PHE 99 HE2 PHE 99 -4.338 -4.943 8.290 585 HZ PHE 99 HZ PHE 99 -3.985 -3.223 6.538 586 H LYS 100 H LYS 100 -2.124 -11.395 6.052 587 HA LYS 100 HA LYS 100 -2.200 -12.886 3.503 588 HB2 LYS 100 HB2 LYS 100 -1.875 -13.995 6.295 589 HB3 LYS 100 HB3 LYS 100 -1.876 -14.898 4.785 590 HG2 LYS 100 HG2 LYS 100 0.308 -14.765 5.207 591 HG3 LYS 100 HG3 LYS 100 0.065 -13.507 4.001 592 HD2 LYS 100 HD2 LYS 100 0.361 -11.768 5.611 593 HD3 LYS 100 HD3 LYS 100 0.235 -12.888 6.970 594 HE2 LYS 100 HE2 LYS 100 2.434 -13.145 4.883 595 HE3 LYS 100 HE3 LYS 100 2.602 -12.084 6.285 596 HZ1 LYS 100 HZ1 LYS 100 2.132 -15.005 6.410 597 HZ2 LYS 100 HZ2 LYS 100 2.229 -14.023 7.719 598 HZ3 LYS 100 HZ3 LYS 100 3.550 -14.240 6.750 599 H LYS 101 H LYS 101 -3.547 -14.654 3.109 600 HA LYS 101 HA LYS 101 -6.325 -14.250 3.170 601 HB2 LYS 101 HB2 LYS 101 -4.622 -16.735 2.888 602 HB3 LYS 101 HB3 LYS 101 -6.391 -16.797 2.792 603 HG2 LYS 101 HG2 LYS 101 -6.455 -15.319 0.918 604 HG3 LYS 101 HG3 LYS 101 -4.730 -14.947 1.041 605 HD2 LYS 101 HD2 LYS 101 -4.113 -17.184 0.393 606 HD3 LYS 101 HD3 LYS 101 -5.794 -17.743 0.428 607 HE2 LYS 101 HE2 LYS 101 -4.960 -15.407 -1.331 608 HE3 LYS 101 HE3 LYS 101 -4.654 -17.061 -1.862 609 HZ1 LYS 101 HZ1 LYS 101 -7.371 -16.097 -1.107 610 HZ2 LYS 101 HZ2 LYS 101 -7.013 -17.537 -1.789 611 HZ3 LYS 101 HZ3 LYS 101 -6.825 -16.189 -2.651 612 H GLY 102 H GLY 102 -7.649 -13.961 4.800 613 HA2 GLY 102 HA2 GLY 102 -8.996 -14.827 6.546 614 HA3 GLY 102 HA3 GLY 102 -7.696 -15.890 7.070 615 H GLU 103 H GLU 103 -6.111 -13.001 6.757 616 HA GLU 103 HA GLU 103 -6.289 -12.467 9.669 617 HB2 GLU 103 HB2 GLU 103 -4.429 -11.322 7.548 618 HB3 GLU 103 HB3 GLU 103 -4.276 -11.127 9.294 619 HG2 GLU 103 HG2 GLU 103 -4.028 -13.619 9.516 620 HG3 GLU 103 HG3 GLU 103 -3.989 -13.742 7.756 621 H SER 104 H SER 104 -6.041 -10.075 10.336 622 HA SER 104 HA SER 104 -7.180 -8.069 8.470 623 HB2 SER 104 HB2 SER 104 -8.814 -7.251 10.088 624 HB3 SER 104 HB3 SER 104 -9.160 -8.911 9.617 625 HG SER 104 HG SER 104 -8.770 -9.561 11.619 626 H LYS 105 H LYS 105 -4.599 -8.686 10.303 627 HA LYS 105 HA LYS 105 -4.057 -5.758 10.443 628 HB2 LYS 105 HB2 LYS 105 -4.381 -6.476 12.744 629 HB3 LYS 105 HB3 LYS 105 -3.202 -7.787 12.532 630 HG2 LYS 105 HG2 LYS 105 -1.398 -6.236 12.347 631 HG3 LYS 105 HG3 LYS 105 -2.453 -4.846 12.256 632 HD2 LYS 105 HD2 LYS 105 -1.671 -4.899 14.526 633 HD3 LYS 105 HD3 LYS 105 -3.324 -5.497 14.614 634 HE2 LYS 105 HE2 LYS 105 -2.609 -7.759 14.782 635 HE3 LYS 105 HE3 LYS 105 -0.957 -7.345 14.278 636 HZ1 LYS 105 HZ1 LYS 105 -1.146 -7.703 16.700 637 HZ2 LYS 105 HZ2 LYS 105 -2.146 -6.407 16.834 638 HZ3 LYS 105 HZ3 LYS 105 -0.579 -6.227 16.307 639 H SER 106 H SER 106 -2.091 -5.203 9.565 640 HA SER 106 HA SER 106 -1.305 -7.018 7.516 641 HB2 SER 106 HB2 SER 106 -0.031 -5.318 6.628 642 HB3 SER 106 HB3 SER 106 -1.219 -4.438 7.592 643 HG SER 106 HG SER 106 1.528 -4.907 8.072 644 H SER 107 H SER 107 0.768 -7.827 6.956 645 HA SER 107 HA SER 107 2.741 -8.335 9.174 646 HB2 SER 107 HB2 SER 107 1.448 -10.383 8.873 647 HB3 SER 107 HB3 SER 107 1.575 -10.251 7.122 648 HG SER 107 HG SER 107 3.485 -11.087 9.003 649 H TYR 108 H TYR 108 2.180 -7.415 5.911 650 HA TYR 108 HA TYR 108 5.110 -7.078 5.492 651 HB2 TYR 108 HB2 TYR 108 4.493 -8.958 4.148 652 HB3 TYR 108 HB3 TYR 108 3.088 -8.144 3.515 653 HD1 TYR 108 HD1 TYR 108 6.815 -7.711 3.700 654 HD2 TYR 108 HD2 TYR 108 3.253 -7.270 1.343 655 HE1 TYR 108 HE1 TYR 108 8.210 -7.052 1.710 656 HE2 TYR 108 HE2 TYR 108 4.621 -6.637 -0.617 657 HH TYR 108 HH TYR 108 6.778 -6.521 -1.502 658 H VAL 109 H VAL 109 5.703 -5.217 4.630 659 HA VAL 109 HA VAL 109 3.731 -3.102 3.972 660 HB VAL 109 HB VAL 109 5.156 -1.583 5.540 661 HG11 VAL 109 HG11 VAL 109 3.782 -2.002 7.460 662 HG12 VAL 109 HG12 VAL 109 3.287 -3.587 6.806 663 HG13 VAL 109 HG13 VAL 109 2.846 -2.079 5.947 664 HG21 VAL 109 HG21 VAL 109 5.576 -4.188 7.046 665 HG22 VAL 109 HG22 VAL 109 6.177 -2.550 7.426 666 HG23 VAL 109 HG23 VAL 109 6.794 -3.443 6.012 667 H ILE 110 H ILE 110 4.595 -1.274 2.997 668 HA ILE 110 HA ILE 110 7.426 -1.395 2.101 669 HB ILE 110 HB ILE 110 5.123 -1.036 0.194 670 HG12 ILE 110 HG12 ILE 110 6.625 -3.577 0.885 671 HG13 ILE 110 HG13 ILE 110 4.901 -3.317 0.834 672 HG21 ILE 110 HG21 ILE 110 8.069 -1.618 -0.367 673 HG22 ILE 110 HG22 ILE 110 7.346 0.009 -0.438 674 HG23 ILE 110 HG23 ILE 110 6.837 -1.227 -1.573 675 HD11 ILE 110 HD11 ILE 110 6.861 -3.674 -1.393 676 HD12 ILE 110 HD12 ILE 110 5.222 -2.988 -1.708 677 HD13 ILE 110 HD13 ILE 110 5.409 -4.616 -1.043 678 H ASN 111 H ASN 111 8.331 0.555 1.948 679 HA ASN 111 HA ASN 111 6.660 2.932 2.689 680 HB2 ASN 111 HB2 ASN 111 9.631 2.401 3.111 681 HB3 ASN 111 HB3 ASN 111 8.732 3.792 3.693 682 HD21 ASN 111 HD21 ASN 111 10.213 2.431 5.459 683 HD22 ASN 111 HD22 ASN 111 9.236 1.411 6.504 684 H GLY 112 H GLY 112 7.069 4.951 1.594 685 HA2 GLY 112 HA2 GLY 112 8.997 5.003 -0.648 686 HA3 GLY 112 HA3 GLY 112 7.290 4.948 -1.092 687 HA PRO 113 HA PRO 113 8.818 9.299 -0.679 688 HB2 PRO 113 HB2 PRO 113 7.665 10.312 -2.957 689 HB3 PRO 113 HB3 PRO 113 9.246 9.484 -2.929 690 HG2 PRO 113 HG2 PRO 113 6.552 8.302 -3.640 691 HG3 PRO 113 HG3 PRO 113 8.106 8.139 -4.522 692 HD2 PRO 113 HD2 PRO 113 7.213 6.223 -2.817 693 HD3 PRO 113 HD3 PRO 113 8.956 6.618 -2.920 694 H GLY 114 H GLY 114 7.729 10.883 0.233 695 HA2 GLY 114 HA2 GLY 114 5.406 12.117 -0.174 696 HA3 GLY 114 HA3 GLY 114 4.826 10.757 0.775 697 H LYS 115 H LYS 115 7.445 10.750 2.302 698 HA LYS 115 HA LYS 115 8.168 11.217 4.333 699 HB2 LYS 115 HB2 LYS 115 8.745 13.335 2.977 700 HB3 LYS 115 HB3 LYS 115 7.490 14.132 3.935 701 HG2 LYS 115 HG2 LYS 115 8.746 13.464 6.027 702 HG3 LYS 115 HG3 LYS 115 9.947 12.659 5.006 703 HD2 LYS 115 HD2 LYS 115 10.888 14.755 5.577 704 HD3 LYS 115 HD3 LYS 115 10.365 14.902 3.895 705 HE2 LYS 115 HE2 LYS 115 8.226 15.996 4.742 706 HE3 LYS 115 HE3 LYS 115 8.894 15.907 6.380 707 HZ1 LYS 115 HZ1 LYS 115 10.753 17.297 5.597 708 HZ2 LYS 115 HZ2 LYS 115 9.335 18.075 5.443 709 HZ3 LYS 115 HZ3 LYS 115 10.073 17.411 4.117 710 H THR 116 H THR 116 4.868 12.179 3.847 711 HA THR 116 HA THR 116 4.105 11.327 6.505 712 HB THR 116 HB THR 116 4.817 13.576 7.120 713 HG1 THR 116 HG1 THR 116 3.067 13.323 8.249 714 HG21 THR 116 HG21 THR 116 2.935 14.658 4.979 715 HG22 THR 116 HG22 THR 116 4.709 14.735 4.924 716 HG23 THR 116 HG23 THR 116 3.826 15.603 6.189 717 H ASN 117 H ASN 117 1.844 11.022 6.639 718 HA ASN 117 HA ASN 117 0.340 11.150 4.102 719 HB2 ASN 117 HB2 ASN 117 -0.475 10.321 6.932 720 HB3 ASN 117 HB3 ASN 117 -1.514 10.243 5.499 721 HD21 ASN 117 HD21 ASN 117 -0.346 9.176 3.551 722 HD22 ASN 117 HD22 ASN 117 0.584 7.724 3.901 723 H GLU 118 H GLU 118 0.866 13.226 6.839 724 HA GLU 118 HA GLU 118 -1.706 14.565 6.752 725 HB2 GLU 118 HB2 GLU 118 0.810 15.180 8.346 726 HB3 GLU 118 HB3 GLU 118 -0.820 15.784 8.679 727 HG2 GLU 118 HG2 GLU 118 -1.603 13.481 9.112 728 HG3 GLU 118 HG3 GLU 118 0.025 12.855 8.826 729 H TYR 119 H TYR 119 -0.181 14.883 4.299 730 HA TYR 119 HA TYR 119 0.547 16.296 2.726 731 HB2 TYR 119 HB2 TYR 119 -1.461 17.441 2.845 732 HB3 TYR 119 HB3 TYR 119 -1.042 18.267 4.327 733 HD1 TYR 119 HD1 TYR 119 -0.071 18.029 0.718 734 HD2 TYR 119 HD2 TYR 119 -0.158 20.441 4.287 735 HE1 TYR 119 HE1 TYR 119 0.817 19.964 -0.573 736 HE2 TYR 119 HE2 TYR 119 0.673 22.392 2.983 737 HH TYR 119 HH TYR 119 1.528 23.112 0.996 738 H ALA 120 H ALA 120 2.379 17.348 2.070 739 HA ALA 120 HA ALA 120 4.439 17.150 4.090 740 HB1 ALA 120 HB1 ALA 120 4.489 16.003 1.905 741 HB2 ALA 120 HB2 ALA 120 5.924 17.013 2.172 742 HB3 ALA 120 HB3 ALA 120 4.637 17.575 1.088 743 H TYR 121 H TYR 121 3.255 19.412 4.913 744 HA TYR 121 HA TYR 121 5.428 21.397 4.565 745 HB2 TYR 121 HB2 TYR 121 3.576 21.982 2.964 746 HB3 TYR 121 HB3 TYR 121 2.495 22.122 4.348 747 HD1 TYR 121 HD1 TYR 121 5.710 23.470 2.947 748 HD2 TYR 121 HD2 TYR 121 2.288 24.196 5.469 749 HE1 TYR 121 HE1 TYR 121 6.355 25.878 3.137 750 HE2 TYR 121 HE2 TYR 121 2.913 26.594 5.632 751 HH TYR 121 HH TYR 121 4.286 28.228 4.867 752 H1 ACE 6 H1 ACE 6 10.553 9.155 -9.837 753 H2 ACE 6 H2 ACE 6 10.266 10.048 -8.323 754 H3 ACE 6 H3 ACE 6 11.574 10.552 -9.416 755 H THR 7 H THR 7 10.416 7.768 -7.536 756 HA THR 7 HA THR 7 13.046 6.494 -7.517 757 HB THR 7 HB THR 7 13.269 8.070 -5.653 758 HG1 THR 7 HG1 THR 7 13.789 6.427 -4.108 759 HG21 THR 7 HG21 THR 7 10.900 8.231 -4.906 760 HG22 THR 7 HG22 THR 7 10.986 6.555 -4.319 761 HG23 THR 7 HG23 THR 7 12.001 7.811 -3.588 762 H THR 8 H THR 8 13.003 4.305 -6.806 763 HA THR 8 HA THR 8 10.416 3.152 -5.979 764 HB THR 8 HB THR 8 10.467 3.191 -8.479 765 HG1 THR 8 HG1 THR 8 10.208 0.730 -7.112 766 HG21 THR 8 HG21 THR 8 12.422 0.880 -8.193 767 HG22 THR 8 HG22 THR 8 12.808 2.490 -8.850 768 HG23 THR 8 HG23 THR 8 11.640 1.455 -9.676 769 HA PRO 9 HA PRO 9 13.639 -0.210 -5.298 770 HB2 PRO 9 HB2 PRO 9 16.254 0.227 -4.907 771 HB3 PRO 9 HB3 PRO 9 15.441 0.312 -6.505 772 HG2 PRO 9 HG2 PRO 9 16.045 2.628 -4.623 773 HG3 PRO 9 HG3 PRO 9 16.551 2.468 -6.340 774 HD2 PRO 9 HD2 PRO 9 14.296 3.782 -5.603 775 HD3 PRO 9 HD3 PRO 9 14.356 2.798 -7.109 776 H ASP 10 H ASP 10 12.170 0.160 -3.593 777 HA ASP 10 HA ASP 10 13.523 -0.416 -1.015 778 HB2 ASP 10 HB2 ASP 10 11.273 1.599 -1.273 779 HB3 ASP 10 HB3 ASP 10 11.634 0.755 0.227 780 HN2 TYS 11 HN2 TYS 11 13.141 -2.511 -1.908 781 HA TYS 11 HA TYS 11 10.444 -3.431 -2.599 782 HB2 TYS 11 HB2 TYS 11 13.174 -4.528 -3.274 783 HB3 TYS 11 HB3 TYS 11 11.747 -5.542 -3.310 784 HD1 TYS 11 HD1 TYS 11 9.875 -5.190 -4.740 785 HD2 TYS 11 HD2 TYS 11 13.125 -2.377 -4.716 786 HE1 TYS 11 HE1 TYS 11 9.094 -4.312 -6.805 787 HE2 TYS 11 HE2 TYS 11 12.138 -1.288 -6.684 788 H GLY 12 H GLY 12 10.157 -2.926 -0.725 789 HA2 GLY 12 HA2 GLY 12 8.713 -3.488 0.916 790 HA3 GLY 12 HA3 GLY 12 8.815 -5.124 0.266 791 H HIS 13 H HIS 13 8.328 -4.672 3.016 792 HA HIS 13 HA HIS 13 10.406 -6.480 3.994 793 HB2 HIS 13 HB2 HIS 13 10.864 -5.216 6.028 794 HB3 HIS 13 HB3 HIS 13 11.530 -4.423 4.606 795 HD1 HIS 13 HD1 HIS 13 9.883 -2.285 3.599 796 HD2 HIS 13 HD2 HIS 13 9.130 -3.764 7.499 797 HE1 HIS 13 HE1 HIS 13 8.268 -0.664 4.714 798 HE2 HIS 13 HE2 HIS 13 8.112 -1.350 7.198 799 HN2 TYS 14 HN2 TYS 14 9.787 -7.564 5.917 800 HA TYS 14 HA TYS 14 6.884 -7.274 6.558 801 HB2 TYS 14 HB2 TYS 14 8.844 -9.529 7.127 802 HB3 TYS 14 HB3 TYS 14 7.221 -9.441 7.745 803 HD1 TYS 14 HD1 TYS 14 8.893 -9.308 4.237 804 HD2 TYS 14 HD2 TYS 14 5.501 -10.521 6.645 805 HE1 TYS 14 HE1 TYS 14 8.261 -10.858 2.561 806 HE2 TYS 14 HE2 TYS 14 4.843 -12.062 4.895 807 H ASP 15 H ASP 15 6.098 -6.946 8.530 808 HA ASP 15 HA ASP 15 7.829 -6.003 10.688 809 HB2 ASP 15 HB2 ASP 15 7.690 -4.101 8.941 810 HB3 ASP 15 HB3 ASP 15 6.031 -3.924 9.396 811 H ASP 16 H ASP 16 6.442 -5.180 12.471 812 HA ASP 16 HA ASP 16 3.680 -6.310 12.539 813 HB2 ASP 16 HB2 ASP 16 5.553 -7.978 13.390 814 HB3 ASP 16 HB3 ASP 16 5.550 -6.957 14.826 815 H LYS 17 H LYS 17 6.048 -4.006 13.662 816 HA LYS 17 HA LYS 17 4.464 -2.964 15.878 817 HB2 LYS 17 HB2 LYS 17 6.977 -3.077 15.757 818 HB3 LYS 17 HB3 LYS 17 6.946 -1.888 14.444 819 HG2 LYS 17 HG2 LYS 17 5.820 -0.283 15.987 820 HG3 LYS 17 HG3 LYS 17 5.900 -1.514 17.269 821 HD2 LYS 17 HD2 LYS 17 8.416 -1.524 17.019 822 HD3 LYS 17 HD3 LYS 17 8.268 -0.246 15.810 823 HE2 LYS 17 HE2 LYS 17 8.870 0.782 17.882 824 HE3 LYS 17 HE3 LYS 17 7.196 1.232 17.529 825 HZ1 LYS 17 HZ1 LYS 17 6.454 -0.379 19.150 826 HZ2 LYS 17 HZ2 LYS 17 7.944 -1.020 19.314 827 HZ3 LYS 17 HZ3 LYS 17 7.637 0.506 19.872 828 H ASP 18 H ASP 18 5.411 -1.802 12.617 829 HA ASP 18 HA ASP 18 3.919 0.652 12.816 830 HB2 ASP 18 HB2 ASP 18 5.963 0.052 11.327 831 HB3 ASP 18 HB3 ASP 18 4.790 -0.626 10.202 832 H THR 19 H THR 19 2.763 -2.473 12.214 833 HA THR 19 HA THR 19 1.199 -2.448 9.998 834 HB THR 19 HB THR 19 1.481 -4.484 11.384 835 HG1 THR 19 HG1 THR 19 -0.006 -4.620 9.978 836 HG21 THR 19 HG21 THR 19 -0.608 -3.421 13.246 837 HG22 THR 19 HG22 THR 19 1.122 -3.373 13.623 838 HG23 THR 19 HG23 THR 19 0.357 -4.937 13.322 839 H LEU 20 H LEU 20 -0.964 -2.229 9.395 840 HA LEU 20 HA LEU 20 -2.624 -0.360 10.986 841 HB2 LEU 20 HB2 LEU 20 -2.257 0.404 8.670 842 HB3 LEU 20 HB3 LEU 20 -2.700 -1.197 8.058 843 HG LEU 20 HG LEU 20 -4.991 -0.849 9.040 844 HD11 LEU 20 HD11 LEU 20 -4.453 0.921 10.709 845 HD12 LEU 20 HD12 LEU 20 -5.706 1.433 9.576 846 HD13 LEU 20 HD13 LEU 20 -4.042 2.030 9.383 847 HD21 LEU 20 HD21 LEU 20 -5.690 0.644 7.212 848 HD22 LEU 20 HD22 LEU 20 -4.440 -0.502 6.719 849 HD23 LEU 20 HD23 LEU 20 -4.003 1.193 7.004 850 H ASP 21 H ASP 21 -4.146 -1.281 12.098 851 HA ASP 21 HA ASP 21 -5.019 -4.065 11.692 852 HB2 ASP 21 HB2 ASP 21 -5.937 -3.854 13.954 853 HB3 ASP 21 HB3 ASP 21 -4.206 -3.553 13.864 854 H LEU 22 H LEU 22 -6.512 -4.261 10.251 855 HA LEU 22 HA LEU 22 -8.689 -2.387 9.676 856 HB2 LEU 22 HB2 LEU 22 -7.462 -4.859 8.498 857 HB3 LEU 22 HB3 LEU 22 -9.172 -4.666 8.189 858 HG LEU 22 HG LEU 22 -8.804 -2.542 7.084 859 HD11 LEU 22 HD11 LEU 22 -6.948 -1.603 8.291 860 HD12 LEU 22 HD12 LEU 22 -6.441 -1.831 6.609 861 HD13 LEU 22 HD13 LEU 22 -5.894 -2.974 7.866 862 HD21 LEU 22 HD21 LEU 22 -7.451 -3.387 5.188 863 HD22 LEU 22 HD22 LEU 22 -8.541 -4.643 5.810 864 HD23 LEU 22 HD23 LEU 22 -6.808 -4.684 6.222 865 H ASN 23 H ASN 23 -8.705 -3.632 12.436 866 HA ASN 23 HA ASN 23 -11.366 -4.899 12.369 867 HB2 ASN 23 HB2 ASN 23 -10.613 -6.620 13.956 868 HB3 ASN 23 HB3 ASN 23 -9.881 -6.777 12.372 869 HD21 ASN 23 HD21 ASN 23 -7.657 -6.899 12.283 870 HD22 ASN 23 HD22 ASN 23 -6.638 -6.779 13.687 871 H THR 24 H THR 24 -12.601 -4.335 13.901 872 HA THR 24 HA THR 24 -11.730 -2.569 16.132 873 HB THR 24 HB THR 24 -13.251 -0.915 15.507 874 HG1 THR 24 HG1 THR 24 -14.821 -1.135 14.061 875 HG21 THR 24 HG21 THR 24 -12.709 -0.218 13.261 876 HG22 THR 24 HG22 THR 24 -11.260 -0.956 13.963 877 HG23 THR 24 HG23 THR 24 -12.254 -1.867 12.795 878 HA PRO 25 HA PRO 25 -16.095 -3.871 17.311 879 HB2 PRO 25 HB2 PRO 25 -17.295 -6.148 16.444 880 HB3 PRO 25 HB3 PRO 25 -17.223 -4.638 15.487 881 HG2 PRO 25 HG2 PRO 25 -15.434 -7.069 15.252 882 HG3 PRO 25 HG3 PRO 25 -16.220 -6.120 13.933 883 HD2 PRO 25 HD2 PRO 25 -13.642 -5.738 14.674 884 HD3 PRO 25 HD3 PRO 25 -14.690 -4.450 14.020 885 H VAL 26 H VAL 26 -16.919 -4.932 19.092 886 HA VAL 26 HA VAL 26 -15.460 -7.259 20.234 887 HB VAL 26 HB VAL 26 -14.300 -5.110 20.787 888 HG11 VAL 26 HG11 VAL 26 -15.178 -3.581 22.427 889 HG12 VAL 26 HG12 VAL 26 -16.686 -4.498 22.569 890 HG13 VAL 26 HG13 VAL 26 -16.295 -3.641 21.059 891 HG21 VAL 26 HG21 VAL 26 -13.985 -5.587 23.166 892 HG22 VAL 26 HG22 VAL 26 -13.992 -7.057 22.184 893 HG23 VAL 26 HG23 VAL 26 -15.415 -6.632 23.170 894 H ASP 27 H ASP 27 -16.569 -8.412 21.834 895 HA ASP 27 HA ASP 27 -19.400 -8.539 21.540 896 HB2 ASP 27 HB2 ASP 27 -17.543 -9.748 23.622 897 HB3 ASP 27 HB3 ASP 27 -19.267 -10.101 23.537 898 H LYS 28 H LYS 28 -17.461 -7.048 24.089 899 HA LYS 28 HA LYS 28 -19.424 -5.037 24.550 900 HB2 LYS 28 HB2 LYS 28 -19.790 -5.265 26.928 901 HB3 LYS 28 HB3 LYS 28 -20.418 -6.676 26.093 902 HG2 LYS 28 HG2 LYS 28 -18.494 -8.026 26.843 903 HG3 LYS 28 HG3 LYS 28 -17.735 -6.596 27.556 904 HD2 LYS 28 HD2 LYS 28 -18.723 -7.802 29.358 905 HD3 LYS 28 HD3 LYS 28 -19.692 -6.348 29.094 906 HE2 LYS 28 HE2 LYS 28 -21.218 -7.847 27.630 907 HE3 LYS 28 HE3 LYS 28 -20.335 -9.223 28.299 908 HZ1 LYS 28 HZ1 LYS 28 -22.346 -8.758 29.559 909 HZ2 LYS 28 HZ2 LYS 28 -21.045 -8.436 30.533 910 HZ3 LYS 28 HZ3 LYS 28 -21.889 -7.211 29.828 911 HN1 NH2 29 HN1 NH2 29 -16.771 -3.104 25.831 912 HN2 NH2 29 HN2 NH2 29 -18.517 -3.194 25.649 Start of MODEL 23 1 H1 ASN 31 H1 ASN 31 5.556 13.485 -23.012 2 H2 ASN 31 H2 ASN 31 6.754 12.481 -23.524 3 H3 ASN 31 H3 ASN 31 6.477 12.680 -21.915 4 HA ASN 31 HA ASN 31 4.301 11.659 -22.116 5 HB2 ASN 31 HB2 ASN 31 5.178 11.327 -25.011 6 HB3 ASN 31 HB3 ASN 31 3.892 10.381 -24.274 7 HD21 ASN 31 HD21 ASN 31 3.222 11.865 -26.443 8 HD22 ASN 31 HD22 ASN 31 2.200 13.206 -25.939 9 H SER 32 H SER 32 4.980 10.193 -20.616 10 HA SER 32 HA SER 32 5.958 7.668 -21.659 11 HB2 SER 32 HB2 SER 32 8.136 8.873 -21.269 12 HB3 SER 32 HB3 SER 32 7.717 8.970 -19.546 13 HG SER 32 HG SER 32 8.871 7.123 -19.744 14 H GLY 33 H GLY 33 5.115 9.600 -18.757 15 HA2 GLY 33 HA2 GLY 33 3.057 8.422 -17.712 16 HA3 GLY 33 HA3 GLY 33 4.197 7.150 -17.318 17 H LEU 34 H LEU 34 2.591 9.347 -15.831 18 HA LEU 34 HA LEU 34 4.582 9.801 -13.690 19 HB2 LEU 34 HB2 LEU 34 2.912 11.990 -14.995 20 HB3 LEU 34 HB3 LEU 34 3.667 12.155 -13.416 21 HG LEU 34 HG LEU 34 5.209 11.727 -16.009 22 HD11 LEU 34 HD11 LEU 34 5.797 14.103 -15.778 23 HD12 LEU 34 HD12 LEU 34 4.755 14.240 -14.344 24 HD13 LEU 34 HD13 LEU 34 4.052 13.898 -15.942 25 HD21 LEU 34 HD21 LEU 34 6.132 12.460 -13.190 26 HD22 LEU 34 HD22 LEU 34 7.157 12.441 -14.637 27 HD23 LEU 34 HD23 LEU 34 6.471 10.933 -14.034 28 HA PRO 35 HA PRO 35 0.661 7.818 -12.962 29 HB2 PRO 35 HB2 PRO 35 1.197 6.202 -10.841 30 HB3 PRO 35 HB3 PRO 35 1.803 5.886 -12.499 31 HG2 PRO 35 HG2 PRO 35 3.314 7.218 -10.234 32 HG3 PRO 35 HG3 PRO 35 3.882 5.930 -11.338 33 HD2 PRO 35 HD2 PRO 35 4.467 8.567 -11.760 34 HD3 PRO 35 HD3 PRO 35 4.164 7.468 -13.131 35 H THR 36 H THR 36 -0.989 8.807 -12.204 36 HA THR 36 HA THR 36 -1.161 9.568 -9.326 37 HB THR 36 HB THR 36 -0.752 11.557 -10.751 38 HG1 THR 36 HG1 THR 36 -3.209 12.140 -9.800 39 HG21 THR 36 HG21 THR 36 -2.115 10.966 -12.752 40 HG22 THR 36 HG22 THR 36 -2.535 12.543 -12.068 41 HG23 THR 36 HG23 THR 36 -3.593 11.146 -11.782 42 H THR 37 H THR 37 -2.003 7.199 -11.027 43 HA THR 37 HA THR 37 -4.768 7.112 -9.943 44 HB THR 37 HB THR 37 -5.482 5.683 -11.857 45 HG1 THR 37 HG1 THR 37 -4.316 5.523 -13.621 46 HG21 THR 37 HG21 THR 37 -5.920 7.510 -13.436 47 HG22 THR 37 HG22 THR 37 -4.728 8.536 -12.606 48 HG23 THR 37 HG23 THR 37 -6.204 8.014 -11.765 49 H LEU 38 H LEU 38 -5.384 5.263 -9.017 50 HA LEU 38 HA LEU 38 -3.406 3.609 -7.916 51 HB2 LEU 38 HB2 LEU 38 -6.004 4.106 -7.423 52 HB3 LEU 38 HB3 LEU 38 -6.177 2.522 -8.181 53 HG LEU 38 HG LEU 38 -4.693 3.298 -5.678 54 HD11 LEU 38 HD11 LEU 38 -7.043 1.437 -6.205 55 HD12 LEU 38 HD12 LEU 38 -7.104 3.042 -5.440 56 HD13 LEU 38 HD13 LEU 38 -6.283 1.705 -4.624 57 HD21 LEU 38 HD21 LEU 38 -3.303 1.554 -6.686 58 HD22 LEU 38 HD22 LEU 38 -4.738 0.555 -7.012 59 HD23 LEU 38 HD23 LEU 38 -4.199 0.859 -5.346 60 H GLY 39 H GLY 39 -5.357 3.003 -10.866 61 HA2 GLY 39 HA2 GLY 39 -4.728 0.361 -11.441 62 HA3 GLY 39 HA3 GLY 39 -4.891 1.624 -12.667 63 H LYS 40 H LYS 40 -2.474 3.129 -11.856 64 HA LYS 40 HA LYS 40 -0.411 1.403 -13.126 65 HB2 LYS 40 HB2 LYS 40 -0.347 4.336 -12.281 66 HB3 LYS 40 HB3 LYS 40 0.959 3.465 -13.096 67 HG2 LYS 40 HG2 LYS 40 -0.691 2.977 -14.990 68 HG3 LYS 40 HG3 LYS 40 -1.783 4.144 -14.221 69 HD2 LYS 40 HD2 LYS 40 0.030 5.889 -14.404 70 HD3 LYS 40 HD3 LYS 40 1.047 4.693 -15.240 71 HE2 LYS 40 HE2 LYS 40 -0.841 4.430 -16.933 72 HE3 LYS 40 HE3 LYS 40 -1.645 5.796 -16.145 73 HZ1 LYS 40 HZ1 LYS 40 1.025 5.877 -17.439 74 HZ2 LYS 40 HZ2 LYS 40 0.302 7.168 -16.716 75 HZ3 LYS 40 HZ3 LYS 40 -0.352 6.504 -18.069 76 H LEU 41 H LEU 41 -1.146 2.773 -9.951 77 HA LEU 41 HA LEU 41 1.439 2.159 -8.787 78 HB2 LEU 41 HB2 LEU 41 -0.218 3.872 -7.927 79 HB3 LEU 41 HB3 LEU 41 -1.253 2.532 -7.426 80 HG LEU 41 HG LEU 41 0.757 1.687 -6.034 81 HD11 LEU 41 HD11 LEU 41 2.553 3.029 -7.069 82 HD12 LEU 41 HD12 LEU 41 2.377 3.433 -5.363 83 HD13 LEU 41 HD13 LEU 41 1.726 4.529 -6.592 84 HD21 LEU 41 HD21 LEU 41 -0.415 4.379 -5.282 85 HD22 LEU 41 HD22 LEU 41 0.292 3.144 -4.201 86 HD23 LEU 41 HD23 LEU 41 -1.215 2.799 -5.071 87 H ASP 42 H ASP 42 -1.701 0.449 -8.884 88 HA ASP 42 HA ASP 42 -1.070 -1.821 -7.292 89 HB2 ASP 42 HB2 ASP 42 -3.331 -1.240 -7.991 90 HB3 ASP 42 HB3 ASP 42 -2.904 -1.403 -9.695 91 H GLU 43 H GLU 43 -0.484 -1.234 -10.741 92 HA GLU 43 HA GLU 43 0.562 -3.813 -11.423 93 HB2 GLU 43 HB2 GLU 43 -0.210 -1.869 -12.943 94 HB3 GLU 43 HB3 GLU 43 1.373 -1.148 -12.630 95 HG2 GLU 43 HG2 GLU 43 2.385 -3.357 -13.488 96 HG3 GLU 43 HG3 GLU 43 0.750 -3.798 -14.000 97 H ARG 44 H ARG 44 2.050 -0.934 -9.981 98 HA ARG 44 HA ARG 44 4.730 -2.104 -9.960 99 HB2 ARG 44 HB2 ARG 44 3.712 0.503 -9.647 100 HB3 ARG 44 HB3 ARG 44 4.166 0.053 -8.009 101 HG2 ARG 44 HG2 ARG 44 6.152 0.934 -8.764 102 HG3 ARG 44 HG3 ARG 44 6.403 -0.773 -9.153 103 HD2 ARG 44 HD2 ARG 44 5.493 1.370 -11.094 104 HD3 ARG 44 HD3 ARG 44 7.143 0.753 -10.934 105 HE ARG 44 HE ARG 44 6.341 -1.470 -11.667 106 HH11 ARG 44 HH11 ARG 44 4.453 1.282 -12.819 107 HH12 ARG 44 HH12 ARG 44 3.627 0.289 -13.975 108 HH21 ARG 44 HH21 ARG 44 5.382 -2.556 -13.163 109 HH22 ARG 44 HH22 ARG 44 4.108 -1.837 -14.177 110 H LEU 45 H LEU 45 2.202 -1.636 -7.435 111 HA LEU 45 HA LEU 45 3.683 -2.842 -5.348 112 HB2 LEU 45 HB2 LEU 45 0.707 -2.499 -5.798 113 HB3 LEU 45 HB3 LEU 45 1.373 -3.147 -4.301 114 HG LEU 45 HG LEU 45 2.106 -0.400 -5.419 115 HD11 LEU 45 HD11 LEU 45 0.175 -1.197 -3.210 116 HD12 LEU 45 HD12 LEU 45 -0.259 -0.491 -4.784 117 HD13 LEU 45 HD13 LEU 45 0.674 0.460 -3.610 118 HD21 LEU 45 HD21 LEU 45 2.645 -1.723 -2.726 119 HD22 LEU 45 HD22 LEU 45 2.918 -0.015 -3.087 120 HD23 LEU 45 HD23 LEU 45 3.860 -1.235 -3.938 121 H ARG 46 H ARG 46 1.512 -4.499 -7.700 122 HA ARG 46 HA ARG 46 1.777 -7.099 -6.387 123 HB2 ARG 46 HB2 ARG 46 0.972 -6.391 -9.242 124 HB3 ARG 46 HB3 ARG 46 0.913 -8.016 -8.536 125 HG2 ARG 46 HG2 ARG 46 -0.604 -7.101 -6.719 126 HG3 ARG 46 HG3 ARG 46 -0.657 -5.579 -7.608 127 HD2 ARG 46 HD2 ARG 46 -1.451 -7.050 -9.623 128 HD3 ARG 46 HD3 ARG 46 -1.742 -8.281 -8.397 129 HE ARG 46 HE ARG 46 -2.909 -5.490 -8.348 130 HH11 ARG 46 HH11 ARG 46 -3.873 -8.930 -8.153 131 HH12 ARG 46 HH12 ARG 46 -5.399 -8.402 -7.503 132 HH21 ARG 46 HH21 ARG 46 -4.654 -5.119 -7.331 133 HH22 ARG 46 HH22 ARG 46 -5.748 -6.417 -6.790 134 H ASN 47 H ASN 47 3.776 -5.324 -8.615 135 HA ASN 47 HA ASN 47 5.680 -7.580 -8.959 136 HB2 ASN 47 HB2 ASN 47 5.619 -4.681 -9.863 137 HB3 ASN 47 HB3 ASN 47 7.102 -5.623 -9.899 138 HD21 ASN 47 HD21 ASN 47 4.059 -5.088 -11.504 139 HD22 ASN 47 HD22 ASN 47 4.279 -6.394 -12.676 140 H TYR 48 H TYR 48 5.494 -4.660 -6.853 141 HA TYR 48 HA TYR 48 7.955 -5.111 -5.600 142 HB2 TYR 48 HB2 TYR 48 5.407 -3.899 -4.504 143 HB3 TYR 48 HB3 TYR 48 6.871 -4.011 -3.646 144 HD1 TYR 48 HD1 TYR 48 7.259 -3.023 -7.207 145 HD2 TYR 48 HD2 TYR 48 6.834 -1.738 -3.140 146 HE1 TYR 48 HE1 TYR 48 8.061 -0.756 -7.814 147 HE2 TYR 48 HE2 TYR 48 7.470 0.581 -3.780 148 HH TYR 48 HH TYR 48 7.808 2.003 -5.589 149 H LEU 49 H LEU 49 4.814 -6.650 -4.859 150 HA LEU 49 HA LEU 49 5.706 -8.166 -2.634 151 HB2 LEU 49 HB2 LEU 49 3.627 -8.542 -4.795 152 HB3 LEU 49 HB3 LEU 49 3.983 -9.907 -3.747 153 HG LEU 49 HG LEU 49 3.353 -7.204 -2.566 154 HD11 LEU 49 HD11 LEU 49 1.002 -8.044 -2.298 155 HD12 LEU 49 HD12 LEU 49 1.395 -9.419 -3.333 156 HD13 LEU 49 HD13 LEU 49 1.435 -7.767 -3.997 157 HD21 LEU 49 HD21 LEU 49 2.616 -8.574 -0.641 158 HD22 LEU 49 HD22 LEU 49 4.304 -8.854 -1.058 159 HD23 LEU 49 HD23 LEU 49 3.078 -10.050 -1.520 160 H LYS 50 H LYS 50 6.324 -8.903 -6.092 161 HA LYS 50 HA LYS 50 7.469 -11.517 -5.456 162 HB2 LYS 50 HB2 LYS 50 7.767 -9.800 -7.951 163 HB3 LYS 50 HB3 LYS 50 8.329 -11.465 -7.720 164 HG2 LYS 50 HG2 LYS 50 6.063 -12.282 -7.424 165 HG3 LYS 50 HG3 LYS 50 5.395 -10.651 -7.554 166 HD2 LYS 50 HD2 LYS 50 7.012 -11.972 -9.779 167 HD3 LYS 50 HD3 LYS 50 5.252 -12.099 -9.659 168 HE2 LYS 50 HE2 LYS 50 5.000 -9.666 -9.798 169 HE3 LYS 50 HE3 LYS 50 6.752 -9.459 -9.765 170 HZ1 LYS 50 HZ1 LYS 50 5.194 -10.706 -11.963 171 HZ2 LYS 50 HZ2 LYS 50 6.838 -10.692 -11.903 172 HZ3 LYS 50 HZ3 LYS 50 6.013 -9.284 -12.004 173 H LYS 51 H LYS 51 8.887 -8.330 -6.244 174 HA LYS 51 HA LYS 51 11.654 -8.953 -5.692 175 HB2 LYS 51 HB2 LYS 51 10.055 -6.416 -5.686 176 HB3 LYS 51 HB3 LYS 51 11.795 -6.463 -5.351 177 HG2 LYS 51 HG2 LYS 51 11.645 -7.854 -7.741 178 HG3 LYS 51 HG3 LYS 51 10.296 -6.720 -7.908 179 HD2 LYS 51 HD2 LYS 51 11.953 -4.867 -7.218 180 HD3 LYS 51 HD3 LYS 51 13.229 -6.081 -7.365 181 HE2 LYS 51 HE2 LYS 51 12.398 -6.518 -9.731 182 HE3 LYS 51 HE3 LYS 51 11.309 -5.133 -9.528 183 HZ1 LYS 51 HZ1 LYS 51 13.263 -3.741 -9.167 184 HZ2 LYS 51 HZ2 LYS 51 13.375 -4.476 -10.625 185 HZ3 LYS 51 HZ3 LYS 51 14.278 -5.035 -9.369 186 H GLY 52 H GLY 52 9.011 -8.318 -3.565 187 HA2 GLY 52 HA2 GLY 52 10.771 -7.456 -1.373 188 HA3 GLY 52 HA3 GLY 52 9.069 -7.141 -1.652 189 H THR 53 H THR 53 8.664 -10.229 -2.085 190 HA THR 53 HA THR 53 8.956 -11.150 0.732 191 HB THR 53 HB THR 53 6.864 -12.199 0.619 192 HG1 THR 53 HG1 THR 53 6.641 -11.314 -2.108 193 HG21 THR 53 HG21 THR 53 5.219 -10.476 0.292 194 HG22 THR 53 HG22 THR 53 6.410 -9.471 -0.576 195 HG23 THR 53 HG23 THR 53 6.637 -9.870 1.140 196 H LYS 54 H LYS 54 8.878 -13.507 1.028 197 HA LYS 54 HA LYS 54 10.357 -15.021 -0.931 198 HB2 LYS 54 HB2 LYS 54 8.639 -15.972 1.387 199 HB3 LYS 54 HB3 LYS 54 9.731 -16.993 0.462 200 HG2 LYS 54 HG2 LYS 54 11.677 -15.994 1.345 201 HG3 LYS 54 HG3 LYS 54 10.817 -14.539 1.864 202 HD2 LYS 54 HD2 LYS 54 9.513 -15.965 3.477 203 HD3 LYS 54 HD3 LYS 54 10.614 -17.312 3.113 204 HE2 LYS 54 HE2 LYS 54 12.506 -16.060 3.998 205 HE3 LYS 54 HE3 LYS 54 11.575 -14.560 3.990 206 HZ1 LYS 54 HZ1 LYS 54 11.173 -16.838 5.844 207 HZ2 LYS 54 HZ2 LYS 54 10.068 -15.642 5.647 208 HZ3 LYS 54 HZ3 LYS 54 11.549 -15.275 6.205 209 H ASN 55 H ASN 55 6.891 -14.800 -0.077 210 HA ASN 55 HA ASN 55 6.095 -15.876 -2.693 211 HB2 ASN 55 HB2 ASN 55 6.484 -17.884 -1.334 212 HB3 ASN 55 HB3 ASN 55 5.632 -17.167 0.034 213 HD21 ASN 55 HD21 ASN 55 4.386 -19.085 0.110 214 HD22 ASN 55 HD22 ASN 55 2.989 -19.256 -0.941 215 H SER 56 H SER 56 4.901 -14.231 -3.325 216 HA SER 56 HA SER 56 3.127 -12.617 -1.863 217 HB2 SER 56 HB2 SER 56 4.051 -12.170 -4.112 218 HB3 SER 56 HB3 SER 56 3.034 -13.447 -4.794 219 HG SER 56 HG SER 56 2.135 -11.328 -5.013 220 H ALA 57 H ALA 57 2.519 -15.923 -2.966 221 HA ALA 57 HA ALA 57 -0.241 -15.641 -3.544 222 HB1 ALA 57 HB1 ALA 57 -0.222 -18.046 -3.787 223 HB2 ALA 57 HB2 ALA 57 1.258 -18.189 -2.819 224 HB3 ALA 57 HB3 ALA 57 1.303 -17.406 -4.418 225 H GLN 58 H GLN 58 1.030 -15.523 -0.432 226 HA GLN 58 HA GLN 58 -1.259 -16.801 0.924 227 HB2 GLN 58 HB2 GLN 58 -0.087 -16.192 2.952 228 HB3 GLN 58 HB3 GLN 58 1.012 -17.001 1.837 229 HG2 GLN 58 HG2 GLN 58 1.926 -14.758 1.147 230 HG3 GLN 58 HG3 GLN 58 0.874 -13.982 2.315 231 HE21 GLN 58 HE21 GLN 58 4.035 -14.786 1.948 232 HE22 GLN 58 HE22 GLN 58 4.393 -15.173 3.611 233 H PHE 59 H PHE 59 -0.495 -13.628 -0.351 234 HA PHE 59 HA PHE 59 -2.119 -12.191 1.621 235 HB2 PHE 59 HB2 PHE 59 -0.640 -11.246 -0.833 236 HB3 PHE 59 HB3 PHE 59 -1.498 -10.210 0.302 237 HD1 PHE 59 HD1 PHE 59 -0.771 -10.153 2.752 238 HD2 PHE 59 HD2 PHE 59 1.621 -11.971 -0.324 239 HE1 PHE 59 HE1 PHE 59 1.206 -10.068 4.242 240 HE2 PHE 59 HE2 PHE 59 3.588 -11.939 1.185 241 HZ PHE 59 HZ PHE 59 3.394 -10.963 3.450 242 H GLU 60 H GLU 60 -4.036 -11.080 1.292 243 HA GLU 60 HA GLU 60 -5.630 -11.919 -1.102 244 HB2 GLU 60 HB2 GLU 60 -7.549 -12.289 0.140 245 HB3 GLU 60 HB3 GLU 60 -6.255 -13.244 0.876 246 HG2 GLU 60 HG2 GLU 60 -6.064 -11.615 2.677 247 HG3 GLU 60 HG3 GLU 60 -7.260 -10.558 1.931 248 H LYS 61 H LYS 61 -4.846 -9.314 1.100 249 HA LYS 61 HA LYS 61 -5.665 -7.496 -0.998 250 HB2 LYS 61 HB2 LYS 61 -7.203 -6.127 0.120 251 HB3 LYS 61 HB3 LYS 61 -7.785 -7.761 0.329 252 HG2 LYS 61 HG2 LYS 61 -7.079 -7.766 2.679 253 HG3 LYS 61 HG3 LYS 61 -6.265 -6.209 2.476 254 HD2 LYS 61 HD2 LYS 61 -8.286 -5.049 2.088 255 HD3 LYS 61 HD3 LYS 61 -9.215 -6.524 1.849 256 HE2 LYS 61 HE2 LYS 61 -7.816 -5.872 4.459 257 HE3 LYS 61 HE3 LYS 61 -9.434 -5.270 4.099 258 HZ1 LYS 61 HZ1 LYS 61 -8.667 -8.132 4.310 259 HZ2 LYS 61 HZ2 LYS 61 -10.178 -7.601 3.879 260 HZ3 LYS 61 HZ3 LYS 61 -9.592 -7.302 5.358 261 H MET 62 H MET 62 -5.317 -5.224 -0.374 262 HA MET 62 HA MET 62 -3.095 -4.680 1.471 263 HB2 MET 62 HB2 MET 62 -1.680 -3.655 -0.202 264 HB3 MET 62 HB3 MET 62 -1.994 -5.331 -0.637 265 HG2 MET 62 HG2 MET 62 -3.653 -4.629 -2.308 266 HG3 MET 62 HG3 MET 62 -3.429 -2.937 -1.847 267 HE1 MET 62 HE1 MET 62 -3.291 -3.990 -4.836 268 HE2 MET 62 HE2 MET 62 -1.876 -3.114 -5.449 269 HE3 MET 62 HE3 MET 62 -3.043 -2.282 -4.400 270 H VAL 63 H VAL 63 -2.682 -2.388 1.767 271 HA VAL 63 HA VAL 63 -4.780 -0.545 0.820 272 HB VAL 63 HB VAL 63 -5.514 -1.503 2.973 273 HG11 VAL 63 HG11 VAL 63 -4.471 -1.414 4.904 274 HG12 VAL 63 HG12 VAL 63 -3.441 0.000 4.482 275 HG13 VAL 63 HG13 VAL 63 -3.072 -1.609 3.856 276 HG21 VAL 63 HG21 VAL 63 -4.863 1.469 3.119 277 HG22 VAL 63 HG22 VAL 63 -6.073 0.607 4.089 278 HG23 VAL 63 HG23 VAL 63 -6.285 0.743 2.337 279 H ILE 64 H ILE 64 -3.923 1.256 0.058 280 HA ILE 64 HA ILE 64 -1.072 1.937 0.606 281 HB ILE 64 HB ILE 64 -2.957 3.073 -1.505 282 HG12 ILE 64 HG12 ILE 64 -1.310 1.712 -3.048 283 HG13 ILE 64 HG13 ILE 64 -1.091 0.690 -1.646 284 HG21 ILE 64 HG21 ILE 64 0.080 3.184 -1.284 285 HG22 ILE 64 HG22 ILE 64 -1.015 4.527 -0.884 286 HG23 ILE 64 HG23 ILE 64 -0.936 3.950 -2.528 287 HD11 ILE 64 HD11 ILE 64 -2.767 -0.110 -3.321 288 HD12 ILE 64 HD12 ILE 64 -3.773 1.305 -2.962 289 HD13 ILE 64 HD13 ILE 64 -3.472 0.072 -1.710 290 H LEU 65 H LEU 65 -0.516 3.773 1.701 291 HA LEU 65 HA LEU 65 -2.620 5.800 2.295 292 HB2 LEU 65 HB2 LEU 65 -0.268 5.209 4.107 293 HB3 LEU 65 HB3 LEU 65 -1.627 6.288 4.398 294 HG LEU 65 HG LEU 65 -1.662 3.252 4.389 295 HD11 LEU 65 HD11 LEU 65 -2.226 3.465 6.719 296 HD12 LEU 65 HD12 LEU 65 -2.468 5.214 6.571 297 HD13 LEU 65 HD13 LEU 65 -0.838 4.535 6.444 298 HD21 LEU 65 HD21 LEU 65 -4.045 3.454 5.131 299 HD22 LEU 65 HD22 LEU 65 -3.816 3.915 3.455 300 HD23 LEU 65 HD23 LEU 65 -4.000 5.184 4.676 301 H THR 66 H THR 66 -2.198 7.741 1.430 302 HA THR 66 HA THR 66 0.537 8.231 0.301 303 HB THR 66 HB THR 66 -0.520 9.579 -1.387 304 HG1 THR 66 HG1 THR 66 -2.267 10.403 -0.307 305 HG21 THR 66 HG21 THR 66 -0.376 7.142 -1.822 306 HG22 THR 66 HG22 THR 66 -1.738 7.916 -2.651 307 HG23 THR 66 HG23 THR 66 -2.032 6.949 -1.191 308 H GLU 67 H GLU 67 1.014 10.677 -0.104 309 HA GLU 67 HA GLU 67 0.643 12.376 2.165 310 HB2 GLU 67 HB2 GLU 67 0.587 13.551 -0.594 311 HB3 GLU 67 HB3 GLU 67 1.254 14.209 0.867 312 HG2 GLU 67 HG2 GLU 67 3.213 12.849 0.714 313 HG3 GLU 67 HG3 GLU 67 2.524 11.849 -0.567 314 H ASN 68 H ASN 68 -0.748 14.400 2.128 315 HA ASN 68 HA ASN 68 -2.816 15.311 2.394 316 HB2 ASN 68 HB2 ASN 68 -3.185 14.285 -0.435 317 HB3 ASN 68 HB3 ASN 68 -4.078 15.603 0.292 318 HD21 ASN 68 HD21 ASN 68 -1.545 14.967 -1.727 319 HD22 ASN 68 HD22 ASN 68 -0.471 16.311 -1.337 320 H LYS 69 H LYS 69 -2.573 12.719 3.492 321 HA LYS 69 HA LYS 69 -3.781 11.228 4.649 322 HB2 LYS 69 HB2 LYS 69 -6.095 13.169 4.276 323 HB3 LYS 69 HB3 LYS 69 -5.897 11.970 5.561 324 HG2 LYS 69 HG2 LYS 69 -3.742 13.148 6.213 325 HG3 LYS 69 HG3 LYS 69 -4.175 14.449 5.098 326 HD2 LYS 69 HD2 LYS 69 -5.788 13.543 7.501 327 HD3 LYS 69 HD3 LYS 69 -4.723 14.957 7.431 328 HE2 LYS 69 HE2 LYS 69 -6.212 15.864 5.573 329 HE3 LYS 69 HE3 LYS 69 -7.317 14.518 5.895 330 HZ1 LYS 69 HZ1 LYS 69 -6.532 16.606 7.866 331 HZ2 LYS 69 HZ2 LYS 69 -7.520 15.365 8.206 332 HZ3 LYS 69 HZ3 LYS 69 -7.990 16.503 7.118 333 H GLY 70 H GLY 70 -3.827 10.895 1.637 334 HA2 GLY 70 HA2 GLY 70 -6.286 9.570 0.951 335 HA3 GLY 70 HA3 GLY 70 -4.750 9.366 0.131 336 H TYR 71 H TYR 71 -6.883 7.511 0.990 337 HA TYR 71 HA TYR 71 -5.273 5.322 2.174 338 HB2 TYR 71 HB2 TYR 71 -6.409 6.358 4.079 339 HB3 TYR 71 HB3 TYR 71 -7.936 6.362 3.227 340 HD1 TYR 71 HD1 TYR 71 -8.941 3.988 2.559 341 HD2 TYR 71 HD2 TYR 71 -6.035 4.649 5.701 342 HE1 TYR 71 HE1 TYR 71 -9.710 1.938 3.724 343 HE2 TYR 71 HE2 TYR 71 -6.878 2.669 6.882 344 HH TYR 71 HH TYR 71 -8.502 1.116 6.986 345 H TYR 72 H TYR 72 -5.566 3.593 0.835 346 HA TYR 72 HA TYR 72 -8.086 3.322 -0.780 347 HB2 TYR 72 HB2 TYR 72 -5.240 3.153 -1.848 348 HB3 TYR 72 HB3 TYR 72 -6.725 2.928 -2.753 349 HD1 TYR 72 HD1 TYR 72 -8.117 4.828 -3.415 350 HD2 TYR 72 HD2 TYR 72 -4.445 5.376 -1.207 351 HE1 TYR 72 HE1 TYR 72 -8.145 7.238 -3.966 352 HE2 TYR 72 HE2 TYR 72 -4.490 7.817 -1.747 353 HH TYR 72 HH TYR 72 -7.210 9.266 -3.559 354 H THR 73 H THR 73 -8.893 1.317 -0.263 355 HA THR 73 HA THR 73 -6.992 -0.933 0.228 356 HB THR 73 HB THR 73 -8.877 -0.472 1.811 357 HG1 THR 73 HG1 THR 73 -9.184 -2.617 2.126 358 HG21 THR 73 HG21 THR 73 -10.616 -1.883 -0.254 359 HG22 THR 73 HG22 THR 73 -10.716 -0.146 0.097 360 HG23 THR 73 HG23 THR 73 -11.074 -1.323 1.368 361 H VAL 74 H VAL 74 -6.818 -2.710 -1.039 362 HA VAL 74 HA VAL 74 -8.453 -3.046 -3.506 363 HB VAL 74 HB VAL 74 -5.406 -2.782 -3.513 364 HG11 VAL 74 HG11 VAL 74 -7.362 -3.437 -5.756 365 HG12 VAL 74 HG12 VAL 74 -6.085 -4.496 -5.110 366 HG13 VAL 74 HG13 VAL 74 -5.641 -3.041 -5.989 367 HG21 VAL 74 HG21 VAL 74 -5.812 -0.913 -5.118 368 HG22 VAL 74 HG22 VAL 74 -6.396 -0.561 -3.493 369 HG23 VAL 74 HG23 VAL 74 -7.551 -1.018 -4.767 370 H TYR 75 H TYR 75 -8.730 -5.245 -4.007 371 HA TYR 75 HA TYR 75 -7.498 -7.153 -2.119 372 HB2 TYR 75 HB2 TYR 75 -9.791 -7.357 -4.057 373 HB3 TYR 75 HB3 TYR 75 -9.080 -8.760 -3.272 374 HD1 TYR 75 HD1 TYR 75 -10.799 -5.499 -2.599 375 HD2 TYR 75 HD2 TYR 75 -9.568 -9.309 -0.991 376 HE1 TYR 75 HE1 TYR 75 -12.117 -5.058 -0.529 377 HE2 TYR 75 HE2 TYR 75 -10.919 -8.888 1.043 378 HH TYR 75 HH TYR 75 -12.213 -7.403 2.181 379 H LEU 76 H LEU 76 -6.370 -8.903 -2.676 380 HA LEU 76 HA LEU 76 -4.747 -8.727 -5.177 381 HB2 LEU 76 HB2 LEU 76 -4.146 -9.743 -2.376 382 HB3 LEU 76 HB3 LEU 76 -3.065 -9.975 -3.736 383 HG LEU 76 HG LEU 76 -3.922 -7.243 -2.691 384 HD11 LEU 76 HD11 LEU 76 -1.580 -7.150 -1.911 385 HD12 LEU 76 HD12 LEU 76 -1.357 -8.848 -2.373 386 HD13 LEU 76 HD13 LEU 76 -2.511 -8.414 -1.087 387 HD21 LEU 76 HD21 LEU 76 -3.338 -7.062 -5.045 388 HD22 LEU 76 HD22 LEU 76 -1.902 -8.094 -4.816 389 HD23 LEU 76 HD23 LEU 76 -1.976 -6.470 -4.104 390 H ASN 77 H ASN 77 -7.184 -10.633 -3.869 391 HA ASN 77 HA ASN 77 -6.428 -13.228 -4.879 392 HB2 ASN 77 HB2 ASN 77 -9.169 -11.938 -4.556 393 HB3 ASN 77 HB3 ASN 77 -8.883 -13.657 -4.800 394 HD21 ASN 77 HD21 ASN 77 -10.225 -12.264 -2.608 395 HD22 ASN 77 HD22 ASN 77 -9.366 -12.781 -1.155 396 H THR 78 H THR 78 -7.677 -10.316 -6.463 397 HA THR 78 HA THR 78 -7.371 -11.577 -9.103 398 HB THR 78 HB THR 78 -9.477 -10.910 -9.946 399 HG1 THR 78 HG1 THR 78 -10.943 -9.957 -8.173 400 HG21 THR 78 HG21 THR 78 -9.644 -12.951 -8.451 401 HG22 THR 78 HG22 THR 78 -11.143 -12.048 -8.674 402 HG23 THR 78 HG23 THR 78 -10.227 -11.874 -7.156 403 HA PRO 79 HA PRO 79 -5.765 -7.441 -10.059 404 HB2 PRO 79 HB2 PRO 79 -7.018 -7.958 -12.748 405 HB3 PRO 79 HB3 PRO 79 -5.381 -7.341 -12.344 406 HG2 PRO 79 HG2 PRO 79 -5.669 -9.927 -13.080 407 HG3 PRO 79 HG3 PRO 79 -4.642 -9.511 -11.667 408 HD2 PRO 79 HD2 PRO 79 -7.515 -10.471 -11.661 409 HD3 PRO 79 HD3 PRO 79 -6.117 -11.060 -10.714 410 H LEU 80 H LEU 80 -6.590 -5.419 -9.821 411 HA LEU 80 HA LEU 80 -9.157 -5.288 -8.778 412 HB2 LEU 80 HB2 LEU 80 -8.657 -3.166 -8.046 413 HB3 LEU 80 HB3 LEU 80 -7.110 -3.987 -8.119 414 HG LEU 80 HG LEU 80 -8.162 -1.878 -10.058 415 HD11 LEU 80 HD11 LEU 80 -5.796 -1.829 -8.144 416 HD12 LEU 80 HD12 LEU 80 -7.370 -1.100 -7.803 417 HD13 LEU 80 HD13 LEU 80 -6.389 -0.488 -9.148 418 HD21 LEU 80 HD21 LEU 80 -5.532 -3.410 -10.072 419 HD22 LEU 80 HD22 LEU 80 -5.816 -1.927 -10.998 420 HD23 LEU 80 HD23 LEU 80 -6.752 -3.384 -11.361 421 H ALA 81 H ALA 81 -10.970 -4.018 -9.115 422 HA ALA 81 HA ALA 81 -12.107 -4.178 -11.657 423 HB1 ALA 81 HB1 ALA 81 -12.981 -2.569 -9.216 424 HB2 ALA 81 HB2 ALA 81 -13.349 -4.281 -9.539 425 HB3 ALA 81 HB3 ALA 81 -14.024 -3.020 -10.580 426 H GLU 82 H GLU 82 -13.082 -2.595 -13.031 427 HA GLU 82 HA GLU 82 -11.268 -0.748 -14.091 428 HB2 GLU 82 HB2 GLU 82 -14.264 -1.049 -14.449 429 HB3 GLU 82 HB3 GLU 82 -13.318 0.150 -15.346 430 HG2 GLU 82 HG2 GLU 82 -11.864 -1.607 -16.249 431 HG3 GLU 82 HG3 GLU 82 -12.775 -2.839 -15.373 432 H ASP 83 H ASP 83 -13.864 0.061 -11.722 433 HA ASP 83 HA ASP 83 -13.485 2.937 -12.015 434 HB2 ASP 83 HB2 ASP 83 -14.735 1.174 -9.885 435 HB3 ASP 83 HB3 ASP 83 -14.520 2.902 -9.639 436 H ARG 84 H ARG 84 -11.979 0.419 -10.029 437 HA ARG 84 HA ARG 84 -10.396 2.289 -8.387 438 HB2 ARG 84 HB2 ARG 84 -10.442 -0.757 -8.674 439 HB3 ARG 84 HB3 ARG 84 -9.274 0.125 -7.685 440 HG2 ARG 84 HG2 ARG 84 -11.092 1.161 -6.397 441 HG3 ARG 84 HG3 ARG 84 -12.294 0.235 -7.303 442 HD2 ARG 84 HD2 ARG 84 -11.564 -1.831 -6.385 443 HD3 ARG 84 HD3 ARG 84 -10.035 -1.150 -5.814 444 HE ARG 84 HE ARG 84 -11.455 0.272 -4.240 445 HH11 ARG 84 HH11 ARG 84 -12.439 -3.074 -4.990 446 HH12 ARG 84 HH12 ARG 84 -13.170 -3.192 -3.388 447 HH21 ARG 84 HH21 ARG 84 -12.639 -0.053 -2.367 448 HH22 ARG 84 HH22 ARG 84 -13.207 -1.688 -2.050 449 H LYS 85 H LYS 85 -9.906 0.428 -11.377 450 HA LYS 85 HA LYS 85 -7.103 1.041 -11.704 451 HB2 LYS 85 HB2 LYS 85 -9.357 0.506 -13.672 452 HB3 LYS 85 HB3 LYS 85 -7.721 0.893 -14.203 453 HG2 LYS 85 HG2 LYS 85 -6.826 -1.030 -12.942 454 HG3 LYS 85 HG3 LYS 85 -8.471 -1.478 -12.444 455 HD2 LYS 85 HD2 LYS 85 -9.157 -1.841 -14.718 456 HD3 LYS 85 HD3 LYS 85 -7.651 -1.181 -15.363 457 HE2 LYS 85 HE2 LYS 85 -7.637 -3.633 -13.572 458 HE3 LYS 85 HE3 LYS 85 -8.031 -3.759 -15.286 459 HZ1 LYS 85 HZ1 LYS 85 -5.699 -4.124 -14.995 460 HZ2 LYS 85 HZ2 LYS 85 -5.457 -2.678 -14.252 461 HZ3 LYS 85 HZ3 LYS 85 -5.901 -2.734 -15.829 462 H ASN 86 H ASN 86 -9.898 3.067 -11.876 463 HA ASN 86 HA ASN 86 -8.353 5.284 -13.151 464 HB2 ASN 86 HB2 ASN 86 -11.249 4.371 -13.442 465 HB3 ASN 86 HB3 ASN 86 -10.651 5.907 -14.044 466 HD21 ASN 86 HD21 ASN 86 -10.881 2.539 -14.734 467 HD22 ASN 86 HD22 ASN 86 -9.966 2.622 -16.244 468 H VAL 87 H VAL 87 -8.884 4.604 -10.110 469 HA VAL 87 HA VAL 87 -10.179 7.158 -9.344 470 HB VAL 87 HB VAL 87 -10.475 4.952 -8.087 471 HG11 VAL 87 HG11 VAL 87 -8.940 4.373 -6.349 472 HG12 VAL 87 HG12 VAL 87 -7.800 5.641 -6.854 473 HG13 VAL 87 HG13 VAL 87 -8.156 4.262 -7.931 474 HG21 VAL 87 HG21 VAL 87 -11.211 7.151 -7.238 475 HG22 VAL 87 HG22 VAL 87 -9.604 7.415 -6.521 476 HG23 VAL 87 HG23 VAL 87 -10.646 6.100 -5.934 477 H GLU 88 H GLU 88 -9.033 8.953 -8.664 478 HA GLU 88 HA GLU 88 -6.176 8.938 -9.391 479 HB2 GLU 88 HB2 GLU 88 -8.119 11.182 -8.783 480 HB3 GLU 88 HB3 GLU 88 -6.385 11.423 -9.019 481 HG2 GLU 88 HG2 GLU 88 -6.515 10.372 -11.260 482 HG3 GLU 88 HG3 GLU 88 -8.256 10.138 -11.058 483 H LEU 89 H LEU 89 -4.527 9.731 -8.092 484 HA LEU 89 HA LEU 89 -4.771 8.859 -5.272 485 HB2 LEU 89 HB2 LEU 89 -2.436 9.442 -7.135 486 HB3 LEU 89 HB3 LEU 89 -2.227 8.962 -5.460 487 HG LEU 89 HG LEU 89 -3.612 7.276 -7.595 488 HD11 LEU 89 HD11 LEU 89 -1.588 5.897 -7.548 489 HD12 LEU 89 HD12 LEU 89 -0.835 7.005 -6.376 490 HD13 LEU 89 HD13 LEU 89 -1.190 7.553 -8.023 491 HD21 LEU 89 HD21 LEU 89 -3.325 5.426 -5.945 492 HD22 LEU 89 HD22 LEU 89 -4.410 6.679 -5.339 493 HD23 LEU 89 HD23 LEU 89 -2.732 6.597 -4.751 494 H LEU 90 H LEU 90 -4.997 10.269 -3.664 495 HA LEU 90 HA LEU 90 -4.937 13.091 -3.893 496 HB2 LEU 90 HB2 LEU 90 -4.897 11.133 -1.585 497 HB3 LEU 90 HB3 LEU 90 -4.828 12.859 -1.273 498 HG LEU 90 HG LEU 90 -7.029 11.708 -3.022 499 HD11 LEU 90 HD11 LEU 90 -7.026 12.020 0.006 500 HD12 LEU 90 HD12 LEU 90 -7.158 10.502 -0.917 501 HD13 LEU 90 HD13 LEU 90 -8.458 11.690 -1.000 502 HD21 LEU 90 HD21 LEU 90 -6.846 14.212 -1.288 503 HD22 LEU 90 HD22 LEU 90 -8.237 13.720 -2.276 504 HD23 LEU 90 HD23 LEU 90 -6.722 14.171 -3.060 505 H GLY 91 H GLY 91 -2.251 10.935 -3.278 506 HA2 GLY 91 HA2 GLY 91 -0.343 13.060 -3.745 507 HA3 GLY 91 HA3 GLY 91 -0.377 12.543 -2.064 508 H LYS 92 H LYS 92 1.923 12.188 -2.866 509 HA LYS 92 HA LYS 92 2.540 9.831 -4.373 510 HB2 LYS 92 HB2 LYS 92 3.950 12.008 -3.708 511 HB3 LYS 92 HB3 LYS 92 4.393 11.054 -2.312 512 HG2 LYS 92 HG2 LYS 92 6.090 10.732 -3.932 513 HG3 LYS 92 HG3 LYS 92 5.120 9.255 -3.960 514 HD2 LYS 92 HD2 LYS 92 5.739 9.880 -6.193 515 HD3 LYS 92 HD3 LYS 92 3.983 10.013 -6.003 516 HE2 LYS 92 HE2 LYS 92 4.128 12.440 -5.805 517 HE3 LYS 92 HE3 LYS 92 5.898 12.367 -5.766 518 HZ1 LYS 92 HZ1 LYS 92 5.891 11.561 -8.011 519 HZ2 LYS 92 HZ2 LYS 92 5.063 12.975 -7.954 520 HZ3 LYS 92 HZ3 LYS 92 4.255 11.535 -8.111 521 H MET 93 H MET 93 3.742 7.953 -3.602 522 HA MET 93 HA MET 93 2.064 6.486 -1.763 523 HB2 MET 93 HB2 MET 93 2.964 5.655 -4.015 524 HB3 MET 93 HB3 MET 93 4.529 5.481 -3.240 525 HG2 MET 93 HG2 MET 93 3.082 4.100 -1.428 526 HG3 MET 93 HG3 MET 93 1.951 3.989 -2.761 527 HE1 MET 93 HE1 MET 93 6.041 1.882 -2.338 528 HE2 MET 93 HE2 MET 93 5.093 2.645 -1.038 529 HE3 MET 93 HE3 MET 93 5.922 3.650 -2.249 530 H TYR 94 H TYR 94 2.908 7.953 0.148 531 HA TYR 94 HA TYR 94 5.422 7.501 1.301 532 HB2 TYR 94 HB2 TYR 94 3.865 9.213 2.081 533 HB3 TYR 94 HB3 TYR 94 2.767 7.996 2.668 534 HD1 TYR 94 HD1 TYR 94 6.385 8.977 3.015 535 HD2 TYR 94 HD2 TYR 94 2.871 7.421 4.975 536 HE1 TYR 94 HE1 TYR 94 7.594 8.984 5.185 537 HE2 TYR 94 HE2 TYR 94 4.079 7.452 7.152 538 HH TYR 94 HH TYR 94 7.419 8.694 7.435 539 H LYS 95 H LYS 95 2.505 5.374 1.760 540 HA LYS 95 HA LYS 95 4.316 3.176 2.441 541 HB2 LYS 95 HB2 LYS 95 3.599 4.775 4.540 542 HB3 LYS 95 HB3 LYS 95 2.245 3.676 4.576 543 HG2 LYS 95 HG2 LYS 95 3.540 1.896 5.280 544 HG3 LYS 95 HG3 LYS 95 4.962 2.394 4.367 545 HD2 LYS 95 HD2 LYS 95 4.049 3.870 6.845 546 HD3 LYS 95 HD3 LYS 95 5.208 2.528 6.868 547 HE2 LYS 95 HE2 LYS 95 6.660 3.777 5.285 548 HE3 LYS 95 HE3 LYS 95 5.545 5.137 5.303 549 HZ1 LYS 95 HZ1 LYS 95 7.033 4.115 7.672 550 HZ2 LYS 95 HZ2 LYS 95 6.016 5.386 7.707 551 HZ3 LYS 95 HZ3 LYS 95 7.397 5.460 6.803 552 H THR 96 H THR 96 3.303 1.077 2.610 553 HA THR 96 HA THR 96 0.394 0.869 2.059 554 HB THR 96 HB THR 96 2.445 -0.702 0.449 555 HG1 THR 96 HG1 THR 96 2.049 1.524 -0.060 556 HG21 THR 96 HG21 THR 96 0.552 -1.479 -0.895 557 HG22 THR 96 HG22 THR 96 -0.588 -0.613 0.142 558 HG23 THR 96 HG23 THR 96 0.313 -1.998 0.772 559 H TYR 97 H TYR 97 -0.529 -0.946 2.863 560 HA TYR 97 HA TYR 97 1.125 -2.832 4.506 561 HB2 TYR 97 HB2 TYR 97 -1.641 -1.965 5.493 562 HB3 TYR 97 HB3 TYR 97 -0.421 -2.844 6.258 563 HD1 TYR 97 HD1 TYR 97 -0.981 0.602 4.831 564 HD2 TYR 97 HD2 TYR 97 1.103 -1.848 7.694 565 HE1 TYR 97 HE1 TYR 97 0.123 2.620 5.777 566 HE2 TYR 97 HE2 TYR 97 2.152 0.173 8.661 567 HH TYR 97 HH TYR 97 1.556 3.481 7.418 568 H PHE 98 H PHE 98 0.515 -4.959 4.560 569 HA PHE 98 HA PHE 98 -1.607 -5.855 2.610 570 HB2 PHE 98 HB2 PHE 98 1.197 -6.879 3.076 571 HB3 PHE 98 HB3 PHE 98 0.023 -7.662 2.044 572 HD1 PHE 98 HD1 PHE 98 1.963 -4.446 2.401 573 HD2 PHE 98 HD2 PHE 98 -0.143 -7.141 -0.208 574 HE1 PHE 98 HE1 PHE 98 2.655 -3.100 0.459 575 HE2 PHE 98 HE2 PHE 98 0.552 -5.770 -2.173 576 HZ PHE 98 HZ PHE 98 1.939 -3.754 -1.841 577 H PHE 99 H PHE 99 -2.562 -7.889 2.915 578 HA PHE 99 HA PHE 99 -2.433 -8.969 5.708 579 HB2 PHE 99 HB2 PHE 99 -4.921 -8.278 4.101 580 HB3 PHE 99 HB3 PHE 99 -4.857 -8.834 5.765 581 HD1 PHE 99 HD1 PHE 99 -4.162 -5.981 3.489 582 HD2 PHE 99 HD2 PHE 99 -4.364 -7.261 7.595 583 HE1 PHE 99 HE1 PHE 99 -3.843 -3.660 4.218 584 HE2 PHE 99 HE2 PHE 99 -4.140 -4.897 8.324 585 HZ PHE 99 HZ PHE 99 -3.771 -3.104 6.650 586 H LYS 100 H LYS 100 -2.490 -11.164 5.885 587 HA LYS 100 HA LYS 100 -2.519 -12.787 3.445 588 HB2 LYS 100 HB2 LYS 100 -2.316 -13.741 6.311 589 HB3 LYS 100 HB3 LYS 100 -2.200 -14.729 4.851 590 HG2 LYS 100 HG2 LYS 100 -0.061 -14.545 5.331 591 HG3 LYS 100 HG3 LYS 100 -0.237 -13.262 4.129 592 HD2 LYS 100 HD2 LYS 100 -0.154 -11.562 5.869 593 HD3 LYS 100 HD3 LYS 100 -0.248 -12.789 7.132 594 HE2 LYS 100 HE2 LYS 100 2.074 -12.491 5.173 595 HE3 LYS 100 HE3 LYS 100 2.037 -11.862 6.826 596 HZ1 LYS 100 HZ1 LYS 100 3.129 -13.866 7.053 597 HZ2 LYS 100 HZ2 LYS 100 2.172 -14.668 5.983 598 HZ3 LYS 100 HZ3 LYS 100 1.592 -14.285 7.472 599 H LYS 101 H LYS 101 -3.752 -14.737 3.226 600 HA LYS 101 HA LYS 101 -6.539 -14.374 3.058 601 HB2 LYS 101 HB2 LYS 101 -6.625 -16.614 2.223 602 HB3 LYS 101 HB3 LYS 101 -5.322 -15.703 1.492 603 HG2 LYS 101 HG2 LYS 101 -3.624 -16.906 2.617 604 HG3 LYS 101 HG3 LYS 101 -4.713 -17.569 3.830 605 HD2 LYS 101 HD2 LYS 101 -4.924 -18.210 0.869 606 HD3 LYS 101 HD3 LYS 101 -3.984 -19.186 2.004 607 HE2 LYS 101 HE2 LYS 101 -5.893 -19.844 3.259 608 HE3 LYS 101 HE3 LYS 101 -6.906 -18.582 2.549 609 HZ1 LYS 101 HZ1 LYS 101 -7.439 -20.659 1.539 610 HZ2 LYS 101 HZ2 LYS 101 -6.724 -19.696 0.413 611 HZ3 LYS 101 HZ3 LYS 101 -5.855 -20.925 1.079 612 H GLY 102 H GLY 102 -6.540 -13.756 5.491 613 HA2 GLY 102 HA2 GLY 102 -8.542 -14.884 6.872 614 HA3 GLY 102 HA3 GLY 102 -7.233 -15.977 7.314 615 H GLU 103 H GLU 103 -6.595 -12.496 6.782 616 HA GLU 103 HA GLU 103 -6.248 -12.020 9.705 617 HB2 GLU 103 HB2 GLU 103 -4.116 -11.929 7.532 618 HB3 GLU 103 HB3 GLU 103 -3.967 -11.054 9.055 619 HG2 GLU 103 HG2 GLU 103 -4.148 -13.150 10.333 620 HG3 GLU 103 HG3 GLU 103 -4.356 -14.059 8.830 621 H SER 104 H SER 104 -6.003 -9.826 10.277 622 HA SER 104 HA SER 104 -6.790 -7.779 8.260 623 HB2 SER 104 HB2 SER 104 -8.341 -8.264 10.785 624 HB3 SER 104 HB3 SER 104 -8.660 -6.996 9.596 625 HG SER 104 HG SER 104 -9.483 -8.426 8.232 626 H LYS 105 H LYS 105 -4.550 -8.456 10.471 627 HA LYS 105 HA LYS 105 -3.950 -5.538 10.604 628 HB2 LYS 105 HB2 LYS 105 -4.321 -6.232 12.916 629 HB3 LYS 105 HB3 LYS 105 -3.125 -7.538 12.739 630 HG2 LYS 105 HG2 LYS 105 -1.322 -6.027 12.615 631 HG3 LYS 105 HG3 LYS 105 -2.334 -4.662 12.231 632 HD2 LYS 105 HD2 LYS 105 -1.748 -4.272 14.463 633 HD3 LYS 105 HD3 LYS 105 -3.387 -4.925 14.574 634 HE2 LYS 105 HE2 LYS 105 -2.474 -7.152 15.109 635 HE3 LYS 105 HE3 LYS 105 -0.830 -6.494 14.999 636 HZ1 LYS 105 HZ1 LYS 105 -1.565 -6.561 17.285 637 HZ2 LYS 105 HZ2 LYS 105 -2.882 -5.612 16.972 638 HZ3 LYS 105 HZ3 LYS 105 -1.388 -4.988 16.839 639 H SER 106 H SER 106 -2.128 -5.070 9.583 640 HA SER 106 HA SER 106 -1.191 -7.015 7.742 641 HB2 SER 106 HB2 SER 106 -1.243 -4.570 7.379 642 HB3 SER 106 HB3 SER 106 0.143 -4.382 8.480 643 HG SER 106 HG SER 106 0.063 -6.008 6.151 644 H SER 107 H SER 107 0.844 -7.936 7.408 645 HA SER 107 HA SER 107 2.928 -7.882 9.558 646 HB2 SER 107 HB2 SER 107 2.043 -10.345 8.045 647 HB3 SER 107 HB3 SER 107 3.418 -10.253 9.158 648 HG SER 107 HG SER 107 2.005 -9.849 10.844 649 H TYR 108 H TYR 108 2.276 -6.939 6.517 650 HA TYR 108 HA TYR 108 5.087 -7.043 5.714 651 HB2 TYR 108 HB2 TYR 108 4.297 -9.051 4.636 652 HB3 TYR 108 HB3 TYR 108 2.862 -8.227 4.033 653 HD1 TYR 108 HD1 TYR 108 6.604 -8.074 3.865 654 HD2 TYR 108 HD2 TYR 108 2.898 -7.302 1.858 655 HE1 TYR 108 HE1 TYR 108 7.842 -7.484 1.783 656 HE2 TYR 108 HE2 TYR 108 4.105 -6.549 -0.150 657 HH TYR 108 HH TYR 108 6.166 -6.308 -1.154 658 H VAL 109 H VAL 109 5.666 -5.226 4.849 659 HA VAL 109 HA VAL 109 3.704 -3.207 3.902 660 HB VAL 109 HB VAL 109 5.073 -1.575 5.449 661 HG11 VAL 109 HG11 VAL 109 3.084 -3.495 6.679 662 HG12 VAL 109 HG12 VAL 109 2.737 -1.983 5.793 663 HG13 VAL 109 HG13 VAL 109 3.610 -1.919 7.337 664 HG21 VAL 109 HG21 VAL 109 6.010 -2.464 7.418 665 HG22 VAL 109 HG22 VAL 109 6.631 -3.486 6.088 666 HG23 VAL 109 HG23 VAL 109 5.325 -4.084 7.106 667 H ILE 110 H ILE 110 4.644 -1.334 3.105 668 HA ILE 110 HA ILE 110 7.352 -1.539 1.862 669 HB ILE 110 HB ILE 110 4.661 -1.118 0.532 670 HG12 ILE 110 HG12 ILE 110 6.594 -3.436 0.405 671 HG13 ILE 110 HG13 ILE 110 4.950 -3.489 0.999 672 HG21 ILE 110 HG21 ILE 110 7.303 -1.337 -0.912 673 HG22 ILE 110 HG22 ILE 110 6.625 0.232 -0.452 674 HG23 ILE 110 HG23 ILE 110 5.724 -0.807 -1.548 675 HD11 ILE 110 HD11 ILE 110 5.007 -4.590 -1.089 676 HD12 ILE 110 HD12 ILE 110 5.776 -3.219 -1.888 677 HD13 ILE 110 HD13 ILE 110 4.122 -3.056 -1.309 678 H ASN 111 H ASN 111 8.298 0.514 1.791 679 HA ASN 111 HA ASN 111 6.581 2.848 2.601 680 HB2 ASN 111 HB2 ASN 111 9.530 2.936 3.067 681 HB3 ASN 111 HB3 ASN 111 8.258 3.834 3.840 682 HD21 ASN 111 HD21 ASN 111 10.607 1.906 4.566 683 HD22 ASN 111 HD22 ASN 111 9.905 1.084 5.965 684 H GLY 112 H GLY 112 7.056 4.839 1.548 685 HA2 GLY 112 HA2 GLY 112 8.968 4.804 -0.730 686 HA3 GLY 112 HA3 GLY 112 7.253 4.828 -1.123 687 HA PRO 113 HA PRO 113 8.892 9.121 -0.674 688 HB2 PRO 113 HB2 PRO 113 8.120 10.131 -3.086 689 HB3 PRO 113 HB3 PRO 113 9.600 9.160 -2.861 690 HG2 PRO 113 HG2 PRO 113 6.911 8.214 -3.876 691 HG3 PRO 113 HG3 PRO 113 8.512 7.882 -4.544 692 HD2 PRO 113 HD2 PRO 113 7.132 6.184 -2.875 693 HD3 PRO 113 HD3 PRO 113 8.916 6.252 -2.901 694 H GLY 114 H GLY 114 7.817 10.671 0.204 695 HA2 GLY 114 HA2 GLY 114 5.543 12.028 -0.370 696 HA3 GLY 114 HA3 GLY 114 4.899 10.678 0.569 697 H LYS 115 H LYS 115 7.652 10.873 2.137 698 HA LYS 115 HA LYS 115 8.405 11.634 4.072 699 HB2 LYS 115 HB2 LYS 115 8.590 13.723 2.617 700 HB3 LYS 115 HB3 LYS 115 7.196 14.357 3.489 701 HG2 LYS 115 HG2 LYS 115 8.383 14.310 5.586 702 HG3 LYS 115 HG3 LYS 115 9.705 13.354 4.890 703 HD2 LYS 115 HD2 LYS 115 10.350 15.234 3.441 704 HD3 LYS 115 HD3 LYS 115 9.013 16.214 4.089 705 HE2 LYS 115 HE2 LYS 115 9.981 16.083 6.346 706 HE3 LYS 115 HE3 LYS 115 11.264 15.012 5.769 707 HZ1 LYS 115 HZ1 LYS 115 12.179 16.785 4.476 708 HZ2 LYS 115 HZ2 LYS 115 11.917 17.396 5.971 709 HZ3 LYS 115 HZ3 LYS 115 10.889 17.766 4.724 710 H THR 116 H THR 116 4.932 12.185 3.714 711 HA THR 116 HA THR 116 4.397 11.107 6.309 712 HB THR 116 HB THR 116 5.005 13.372 7.073 713 HG1 THR 116 HG1 THR 116 3.184 12.238 7.972 714 HG21 THR 116 HG21 THR 116 2.778 14.436 5.278 715 HG22 THR 116 HG22 THR 116 4.515 14.689 5.015 716 HG23 THR 116 HG23 THR 116 3.734 15.362 6.452 717 H ASN 117 H ASN 117 2.060 10.754 6.591 718 HA ASN 117 HA ASN 117 0.474 10.940 4.117 719 HB2 ASN 117 HB2 ASN 117 -0.152 10.011 6.963 720 HB3 ASN 117 HB3 ASN 117 -1.311 10.005 5.633 721 HD21 ASN 117 HD21 ASN 117 -0.053 9.083 3.510 722 HD22 ASN 117 HD22 ASN 117 0.737 7.540 3.772 723 H GLU 118 H GLU 118 0.962 12.852 6.993 724 HA GLU 118 HA GLU 118 -1.666 14.122 6.889 725 HB2 GLU 118 HB2 GLU 118 0.688 14.517 8.758 726 HB3 GLU 118 HB3 GLU 118 -0.961 15.058 9.038 727 HG2 GLU 118 HG2 GLU 118 -0.109 12.139 8.840 728 HG3 GLU 118 HG3 GLU 118 -0.330 13.049 10.318 729 H TYR 119 H TYR 119 -0.472 14.768 4.633 730 HA TYR 119 HA TYR 119 0.416 16.174 3.184 731 HB2 TYR 119 HB2 TYR 119 -0.353 18.550 3.229 732 HB3 TYR 119 HB3 TYR 119 -1.534 17.270 3.154 733 HD1 TYR 119 HD1 TYR 119 0.100 19.496 5.749 734 HD2 TYR 119 HD2 TYR 119 -3.439 17.414 4.432 735 HE1 TYR 119 HE1 TYR 119 -1.174 20.426 7.674 736 HE2 TYR 119 HE2 TYR 119 -4.720 18.402 6.311 737 HH TYR 119 HH TYR 119 -3.134 20.344 8.860 738 H ALA 120 H ALA 120 2.189 16.973 2.513 739 HA ALA 120 HA ALA 120 4.321 17.679 4.387 740 HB1 ALA 120 HB1 ALA 120 4.691 16.177 2.478 741 HB2 ALA 120 HB2 ALA 120 5.690 17.640 2.338 742 HB3 ALA 120 HB3 ALA 120 4.223 17.459 1.348 743 H TYR 121 H TYR 121 3.563 19.609 5.304 744 HA TYR 121 HA TYR 121 4.168 22.023 3.709 745 HB2 TYR 121 HB2 TYR 121 1.673 21.664 3.633 746 HB3 TYR 121 HB3 TYR 121 1.629 21.817 5.377 747 HD1 TYR 121 HD1 TYR 121 2.421 24.015 6.441 748 HD2 TYR 121 HD2 TYR 121 1.731 23.589 2.211 749 HE1 TYR 121 HE1 TYR 121 2.427 26.488 6.196 750 HE2 TYR 121 HE2 TYR 121 1.722 26.067 1.959 751 HH TYR 121 HH TYR 121 1.993 28.067 2.998 752 H1 ACE 6 H1 ACE 6 21.784 4.363 -6.107 753 H2 ACE 6 H2 ACE 6 21.187 3.012 -7.093 754 H3 ACE 6 H3 ACE 6 20.634 4.667 -7.431 755 H THR 7 H THR 7 19.932 5.703 -5.093 756 HA THR 7 HA THR 7 18.582 4.204 -3.164 757 HB THR 7 HB THR 7 19.058 6.628 -3.049 758 HG1 THR 7 HG1 THR 7 16.465 6.765 -2.451 759 HG21 THR 7 HG21 THR 7 18.150 7.349 -5.263 760 HG22 THR 7 HG22 THR 7 16.509 7.023 -4.671 761 HG23 THR 7 HG23 THR 7 17.509 8.271 -3.896 762 H THR 8 H THR 8 16.344 3.740 -2.737 763 HA THR 8 HA THR 8 14.404 3.688 -4.966 764 HB THR 8 HB THR 8 15.435 1.101 -3.696 765 HG1 THR 8 HG1 THR 8 16.390 2.515 -5.711 766 HG21 THR 8 HG21 THR 8 14.184 -0.050 -5.493 767 HG22 THR 8 HG22 THR 8 13.094 0.844 -4.447 768 HG23 THR 8 HG23 THR 8 13.538 1.494 -6.051 769 HA PRO 9 HA PRO 9 11.404 3.599 -1.452 770 HB2 PRO 9 HB2 PRO 9 10.157 1.566 -3.326 771 HB3 PRO 9 HB3 PRO 9 9.339 2.798 -2.313 772 HG2 PRO 9 HG2 PRO 9 9.733 3.293 -4.935 773 HG3 PRO 9 HG3 PRO 9 10.094 4.575 -3.737 774 HD2 PRO 9 HD2 PRO 9 11.986 2.743 -5.168 775 HD3 PRO 9 HD3 PRO 9 12.168 4.475 -4.790 776 H ASP 10 H ASP 10 10.637 2.008 0.118 777 HA ASP 10 HA ASP 10 12.522 -0.261 0.522 778 HB2 ASP 10 HB2 ASP 10 10.298 0.941 2.223 779 HB3 ASP 10 HB3 ASP 10 11.215 -0.480 2.690 780 HN2 TYS 11 HN2 TYS 11 11.996 -1.850 -0.899 781 HA TYS 11 HA TYS 11 9.649 -1.944 -2.350 782 HB2 TYS 11 HB2 TYS 11 12.116 -3.610 -2.164 783 HB3 TYS 11 HB3 TYS 11 10.735 -4.621 -2.376 784 HD1 TYS 11 HD1 TYS 11 9.643 -4.800 -4.409 785 HD2 TYS 11 HD2 TYS 11 12.099 -1.373 -3.652 786 HE1 TYS 11 HE1 TYS 11 9.368 -4.156 -6.668 787 HE2 TYS 11 HE2 TYS 11 11.666 -0.589 -5.884 788 H GLY 12 H GLY 12 10.538 -3.739 0.276 789 HA2 GLY 12 HA2 GLY 12 7.963 -4.943 0.872 790 HA3 GLY 12 HA3 GLY 12 9.040 -5.982 -0.028 791 H HIS 13 H HIS 13 8.145 -5.024 3.100 792 HA HIS 13 HA HIS 13 10.113 -6.939 4.128 793 HB2 HIS 13 HB2 HIS 13 10.805 -5.526 5.988 794 HB3 HIS 13 HB3 HIS 13 11.371 -4.887 4.448 795 HD1 HIS 13 HD1 HIS 13 10.010 -2.736 3.459 796 HD2 HIS 13 HD2 HIS 13 8.966 -3.974 7.366 797 HE1 HIS 13 HE1 HIS 13 8.368 -0.949 4.448 798 HE2 HIS 13 HE2 HIS 13 8.066 -1.542 6.907 799 HN2 TYS 14 HN2 TYS 14 9.643 -7.818 6.102 800 HA TYS 14 HA TYS 14 6.781 -7.615 6.852 801 HB2 TYS 14 HB2 TYS 14 8.869 -9.805 7.218 802 HB3 TYS 14 HB3 TYS 14 7.282 -9.861 7.931 803 HD1 TYS 14 HD1 TYS 14 8.805 -9.555 4.361 804 HD2 TYS 14 HD2 TYS 14 5.478 -10.826 6.850 805 HE1 TYS 14 HE1 TYS 14 8.012 -10.958 2.616 806 HE2 TYS 14 HE2 TYS 14 4.669 -12.177 5.032 807 H ASP 15 H ASP 15 6.060 -7.078 8.734 808 HA ASP 15 HA ASP 15 8.115 -5.759 10.470 809 HB2 ASP 15 HB2 ASP 15 6.965 -3.888 10.409 810 HB3 ASP 15 HB3 ASP 15 6.342 -4.523 8.919 811 H ASP 16 H ASP 16 7.418 -5.137 12.644 812 HA ASP 16 HA ASP 16 5.382 -6.865 13.895 813 HB2 ASP 16 HB2 ASP 16 8.135 -6.501 15.122 814 HB3 ASP 16 HB3 ASP 16 6.860 -7.579 15.683 815 H LYS 17 H LYS 17 5.509 -3.923 13.266 816 HA LYS 17 HA LYS 17 5.025 -2.658 15.853 817 HB2 LYS 17 HB2 LYS 17 7.050 -1.186 15.848 818 HB3 LYS 17 HB3 LYS 17 7.381 -2.870 16.217 819 HG2 LYS 17 HG2 LYS 17 8.263 -3.269 13.974 820 HG3 LYS 17 HG3 LYS 17 7.795 -1.638 13.451 821 HD2 LYS 17 HD2 LYS 17 9.326 -0.622 15.018 822 HD3 LYS 17 HD3 LYS 17 9.749 -2.189 15.730 823 HE2 LYS 17 HE2 LYS 17 10.218 -1.451 12.809 824 HE3 LYS 17 HE3 LYS 17 11.420 -1.201 14.081 825 HZ1 LYS 17 HZ1 LYS 17 11.671 -3.332 12.834 826 HZ2 LYS 17 HZ2 LYS 17 10.292 -3.892 13.440 827 HZ3 LYS 17 HZ3 LYS 17 11.554 -3.560 14.448 828 H ASP 18 H ASP 18 5.205 -2.332 12.426 829 HA ASP 18 HA ASP 18 4.405 0.565 12.539 830 HB2 ASP 18 HB2 ASP 18 5.676 -1.162 10.391 831 HB3 ASP 18 HB3 ASP 18 4.886 0.361 10.020 832 H THR 19 H THR 19 3.229 -2.622 11.753 833 HA THR 19 HA THR 19 1.457 -2.557 9.842 834 HB THR 19 HB THR 19 1.597 -4.538 11.197 835 HG1 THR 19 HG1 THR 19 -0.121 -5.097 10.634 836 HG21 THR 19 HG21 THR 19 0.104 -3.123 13.395 837 HG22 THR 19 HG22 THR 19 1.825 -3.578 13.446 838 HG23 THR 19 HG23 THR 19 0.597 -4.834 13.336 839 H LEU 20 H LEU 20 -0.696 -2.195 9.288 840 HA LEU 20 HA LEU 20 -2.215 -0.196 10.849 841 HB2 LEU 20 HB2 LEU 20 -1.933 0.431 8.486 842 HB3 LEU 20 HB3 LEU 20 -2.458 -1.183 7.983 843 HG LEU 20 HG LEU 20 -4.707 -0.726 8.959 844 HD11 LEU 20 HD11 LEU 20 -4.192 0.964 10.663 845 HD12 LEU 20 HD12 LEU 20 -5.295 1.654 9.470 846 HD13 LEU 20 HD13 LEU 20 -3.570 2.074 9.416 847 HD21 LEU 20 HD21 LEU 20 -5.364 0.853 7.172 848 HD22 LEU 20 HD22 LEU 20 -4.197 -0.357 6.647 849 HD23 LEU 20 HD23 LEU 20 -3.651 1.302 6.940 850 H ASP 21 H ASP 21 -3.547 -1.085 12.160 851 HA ASP 21 HA ASP 21 -4.753 -3.762 11.934 852 HB2 ASP 21 HB2 ASP 21 -5.856 -3.052 14.049 853 HB3 ASP 21 HB3 ASP 21 -4.111 -2.943 14.125 854 H LEU 22 H LEU 22 -6.624 -4.109 10.951 855 HA LEU 22 HA LEU 22 -7.997 -1.812 9.695 856 HB2 LEU 22 HB2 LEU 22 -6.639 -4.022 8.725 857 HB3 LEU 22 HB3 LEU 22 -8.299 -4.578 8.647 858 HG LEU 22 HG LEU 22 -8.796 -2.459 7.280 859 HD11 LEU 22 HD11 LEU 22 -5.747 -2.333 7.426 860 HD12 LEU 22 HD12 LEU 22 -6.884 -1.074 7.939 861 HD13 LEU 22 HD13 LEU 22 -6.723 -1.463 6.213 862 HD21 LEU 22 HD21 LEU 22 -6.639 -4.375 6.299 863 HD22 LEU 22 HD22 LEU 22 -7.702 -3.396 5.259 864 HD23 LEU 22 HD23 LEU 22 -8.394 -4.680 6.282 865 H ASN 23 H ASN 23 -8.949 -3.903 12.184 866 HA ASN 23 HA ASN 23 -11.803 -3.561 11.506 867 HB2 ASN 23 HB2 ASN 23 -12.363 -5.802 11.209 868 HB3 ASN 23 HB3 ASN 23 -10.936 -5.578 10.205 869 HD21 ASN 23 HD21 ASN 23 -8.894 -5.853 12.396 870 HD22 ASN 23 HD22 ASN 23 -8.981 -7.553 12.775 871 H THR 24 H THR 24 -9.638 -3.828 14.100 872 HA THR 24 HA THR 24 -9.879 -4.454 16.326 873 HB THR 24 HB THR 24 -10.130 -2.129 16.228 874 HG1 THR 24 HG1 THR 24 -12.230 -3.141 17.794 875 HG21 THR 24 HG21 THR 24 -12.452 -1.091 16.108 876 HG22 THR 24 HG22 THR 24 -11.805 -1.768 14.598 877 HG23 THR 24 HG23 THR 24 -13.020 -2.674 15.499 878 HA PRO 25 HA PRO 25 -13.610 -7.212 15.884 879 HB2 PRO 25 HB2 PRO 25 -12.411 -9.663 16.042 880 HB3 PRO 25 HB3 PRO 25 -12.462 -8.666 14.559 881 HG2 PRO 25 HG2 PRO 25 -10.192 -9.016 16.521 882 HG3 PRO 25 HG3 PRO 25 -10.147 -8.899 14.725 883 HD2 PRO 25 HD2 PRO 25 -9.593 -6.793 16.417 884 HD3 PRO 25 HD3 PRO 25 -10.177 -6.625 14.746 885 H VAL 26 H VAL 26 -14.622 -8.870 17.192 886 HA VAL 26 HA VAL 26 -13.638 -9.402 19.892 887 HB VAL 26 HB VAL 26 -14.706 -7.121 20.003 888 HG11 VAL 26 HG11 VAL 26 -17.106 -6.860 20.000 889 HG12 VAL 26 HG12 VAL 26 -17.356 -8.573 19.635 890 HG13 VAL 26 HG13 VAL 26 -16.601 -7.505 18.431 891 HG21 VAL 26 HG21 VAL 26 -14.489 -8.588 22.009 892 HG22 VAL 26 HG22 VAL 26 -16.147 -9.174 21.723 893 HG23 VAL 26 HG23 VAL 26 -15.856 -7.469 22.082 894 H ASP 27 H ASP 27 -14.721 -11.113 20.908 895 HA ASP 27 HA ASP 27 -17.084 -12.372 19.550 896 HB2 ASP 27 HB2 ASP 27 -14.578 -13.721 20.646 897 HB3 ASP 27 HB3 ASP 27 -16.069 -14.580 20.270 898 H LYS 28 H LYS 28 -15.386 -11.635 22.536 899 HA LYS 28 HA LYS 28 -17.786 -12.037 24.190 900 HB2 LYS 28 HB2 LYS 28 -16.571 -14.258 24.127 901 HB3 LYS 28 HB3 LYS 28 -15.112 -13.445 24.682 902 HG2 LYS 28 HG2 LYS 28 -16.014 -14.456 26.591 903 HG3 LYS 28 HG3 LYS 28 -16.430 -12.749 26.770 904 HD2 LYS 28 HD2 LYS 28 -18.720 -13.343 25.777 905 HD3 LYS 28 HD3 LYS 28 -18.253 -15.041 25.901 906 HE2 LYS 28 HE2 LYS 28 -18.476 -13.025 28.184 907 HE3 LYS 28 HE3 LYS 28 -19.636 -14.296 27.798 908 HZ1 LYS 28 HZ1 LYS 28 -18.265 -15.025 29.571 909 HZ2 LYS 28 HZ2 LYS 28 -16.869 -14.690 28.787 910 HZ3 LYS 28 HZ3 LYS 28 -17.823 -15.923 28.256 911 HN1 NH2 29 HN1 NH2 29 -16.533 -9.092 25.658 912 HN2 NH2 29 HN2 NH2 29 -17.913 -10.036 25.128 Start of MODEL 24 1 H1 ASN 31 H1 ASN 31 8.733 14.134 -11.303 2 H2 ASN 31 H2 ASN 31 9.965 13.046 -11.373 3 H3 ASN 31 H3 ASN 31 8.439 12.538 -11.032 4 HA ASN 31 HA ASN 31 10.127 14.282 -9.379 5 HB2 ASN 31 HB2 ASN 31 7.423 13.125 -8.589 6 HB3 ASN 31 HB3 ASN 31 8.471 14.124 -7.608 7 HD21 ASN 31 HD21 ASN 31 5.655 14.689 -8.448 8 HD22 ASN 31 HD22 ASN 31 5.726 16.122 -9.452 9 H SER 32 H SER 32 8.477 11.052 -9.251 10 HA SER 32 HA SER 32 10.973 9.825 -8.201 11 HB2 SER 32 HB2 SER 32 8.338 10.070 -6.717 12 HB3 SER 32 HB3 SER 32 9.429 8.708 -6.408 13 HG SER 32 HG SER 32 11.013 9.998 -5.819 14 H GLY 33 H GLY 33 9.529 9.621 -10.761 15 HA2 GLY 33 HA2 GLY 33 8.749 8.071 -12.254 16 HA3 GLY 33 HA3 GLY 33 9.758 6.929 -11.358 17 H LEU 34 H LEU 34 6.719 8.560 -10.297 18 HA LEU 34 HA LEU 34 5.451 5.882 -10.042 19 HB2 LEU 34 HB2 LEU 34 6.495 7.366 -7.876 20 HB3 LEU 34 HB3 LEU 34 4.747 7.548 -7.792 21 HG LEU 34 HG LEU 34 6.255 4.925 -7.841 22 HD11 LEU 34 HD11 LEU 34 5.406 4.712 -5.536 23 HD12 LEU 34 HD12 LEU 34 4.649 6.320 -5.661 24 HD13 LEU 34 HD13 LEU 34 6.421 6.144 -5.724 25 HD21 LEU 34 HD21 LEU 34 4.070 3.882 -7.328 26 HD22 LEU 34 HD22 LEU 34 4.065 4.600 -8.931 27 HD23 LEU 34 HD23 LEU 34 3.258 5.447 -7.593 28 HA PRO 35 HA PRO 35 2.194 8.238 -12.221 29 HB2 PRO 35 HB2 PRO 35 1.014 5.502 -11.691 30 HB3 PRO 35 HB3 PRO 35 0.825 6.542 -13.138 31 HG2 PRO 35 HG2 PRO 35 2.597 4.511 -13.189 32 HG3 PRO 35 HG3 PRO 35 3.078 6.118 -13.828 33 HD2 PRO 35 HD2 PRO 35 3.721 4.891 -11.138 34 HD3 PRO 35 HD3 PRO 35 4.776 5.820 -12.244 35 H THR 36 H THR 36 -0.110 8.650 -11.821 36 HA THR 36 HA THR 36 -0.705 8.828 -8.895 37 HB THR 36 HB THR 36 -0.046 10.919 -9.914 38 HG1 THR 36 HG1 THR 36 -2.776 10.916 -9.289 39 HG21 THR 36 HG21 THR 36 -1.592 12.154 -11.380 40 HG22 THR 36 HG22 THR 36 -2.585 10.693 -11.589 41 HG23 THR 36 HG23 THR 36 -0.912 10.747 -12.186 42 H THR 37 H THR 37 -1.671 6.658 -10.841 43 HA THR 37 HA THR 37 -4.518 6.808 -9.965 44 HB THR 37 HB THR 37 -5.205 5.652 -12.046 45 HG1 THR 37 HG1 THR 37 -3.805 5.062 -13.448 46 HG21 THR 37 HG21 THR 37 -5.125 7.560 -13.551 47 HG22 THR 37 HG22 THR 37 -3.830 8.317 -12.605 48 HG23 THR 37 HG23 THR 37 -5.447 8.116 -11.902 49 H LEU 38 H LEU 38 -5.432 4.902 -9.223 50 HA LEU 38 HA LEU 38 -3.569 2.997 -8.184 51 HB2 LEU 38 HB2 LEU 38 -6.591 3.025 -8.307 52 HB3 LEU 38 HB3 LEU 38 -5.724 1.615 -7.728 53 HG LEU 38 HG LEU 38 -5.610 4.372 -6.469 54 HD11 LEU 38 HD11 LEU 38 -7.731 3.032 -6.116 55 HD12 LEU 38 HD12 LEU 38 -6.819 3.324 -4.637 56 HD13 LEU 38 HD13 LEU 38 -6.749 1.733 -5.424 57 HD21 LEU 38 HD21 LEU 38 -4.294 1.735 -5.640 58 HD22 LEU 38 HD22 LEU 38 -4.409 3.182 -4.614 59 HD23 LEU 38 HD23 LEU 38 -3.459 3.236 -6.095 60 H GLY 39 H GLY 39 -5.415 2.852 -11.211 61 HA2 GLY 39 HA2 GLY 39 -5.079 0.138 -11.852 62 HA3 GLY 39 HA3 GLY 39 -5.070 1.446 -13.037 63 H LYS 40 H LYS 40 -2.630 2.646 -11.856 64 HA LYS 40 HA LYS 40 -0.575 0.856 -13.077 65 HB2 LYS 40 HB2 LYS 40 -0.534 3.817 -12.380 66 HB3 LYS 40 HB3 LYS 40 0.784 2.914 -13.153 67 HG2 LYS 40 HG2 LYS 40 -0.750 2.364 -15.055 68 HG3 LYS 40 HG3 LYS 40 -2.005 3.359 -14.316 69 HD2 LYS 40 HD2 LYS 40 -0.573 5.334 -14.445 70 HD3 LYS 40 HD3 LYS 40 0.725 4.384 -15.203 71 HE2 LYS 40 HE2 LYS 40 -0.634 3.952 -17.157 72 HE3 LYS 40 HE3 LYS 40 -2.082 4.600 -16.369 73 HZ1 LYS 40 HZ1 LYS 40 -1.056 6.220 -17.904 74 HZ2 LYS 40 HZ2 LYS 40 0.318 6.226 -17.023 75 HZ3 LYS 40 HZ3 LYS 40 -1.089 6.783 -16.368 76 H LEU 41 H LEU 41 -1.355 2.471 -9.983 77 HA LEU 41 HA LEU 41 1.139 1.656 -8.751 78 HB2 LEU 41 HB2 LEU 41 -0.130 3.559 -7.869 79 HB3 LEU 41 HB3 LEU 41 -1.497 2.500 -7.495 80 HG LEU 41 HG LEU 41 -0.121 1.251 -5.873 81 HD11 LEU 41 HD11 LEU 41 2.041 2.062 -5.143 82 HD12 LEU 41 HD12 LEU 41 2.026 3.349 -6.364 83 HD13 LEU 41 HD13 LEU 41 2.157 1.631 -6.838 84 HD21 LEU 41 HD21 LEU 41 0.106 2.934 -4.143 85 HD22 LEU 41 HD22 LEU 41 -1.401 3.160 -5.056 86 HD23 LEU 41 HD23 LEU 41 -0.014 4.233 -5.359 87 H ASP 42 H ASP 42 -2.140 0.189 -8.775 88 HA ASP 42 HA ASP 42 -1.597 -1.983 -6.974 89 HB2 ASP 42 HB2 ASP 42 -3.821 -1.030 -7.697 90 HB3 ASP 42 HB3 ASP 42 -3.571 -1.735 -9.295 91 H GLU 43 H GLU 43 -1.154 -1.654 -10.444 92 HA GLU 43 HA GLU 43 -0.309 -4.301 -11.123 93 HB2 GLU 43 HB2 GLU 43 -0.920 -2.373 -12.671 94 HB3 GLU 43 HB3 GLU 43 0.607 -1.616 -12.249 95 HG2 GLU 43 HG2 GLU 43 0.982 -2.646 -14.306 96 HG3 GLU 43 HG3 GLU 43 1.726 -3.734 -13.139 97 H ARG 44 H ARG 44 1.499 -1.427 -9.960 98 HA ARG 44 HA ARG 44 4.060 -2.758 -9.864 99 HB2 ARG 44 HB2 ARG 44 3.462 -0.202 -9.967 100 HB3 ARG 44 HB3 ARG 44 3.360 -0.314 -8.210 101 HG2 ARG 44 HG2 ARG 44 5.678 -1.243 -8.154 102 HG3 ARG 44 HG3 ARG 44 5.767 -1.137 -9.907 103 HD2 ARG 44 HD2 ARG 44 5.292 1.278 -8.139 104 HD3 ARG 44 HD3 ARG 44 6.894 0.726 -8.664 105 HE ARG 44 HE ARG 44 5.095 1.043 -10.922 106 HH11 ARG 44 HH11 ARG 44 7.202 2.926 -8.800 107 HH12 ARG 44 HH12 ARG 44 7.463 4.112 -10.080 108 HH21 ARG 44 HH21 ARG 44 5.789 2.406 -12.477 109 HH22 ARG 44 HH22 ARG 44 6.774 3.781 -12.084 110 H LEU 45 H LEU 45 1.635 -2.045 -7.315 111 HA LEU 45 HA LEU 45 3.169 -3.124 -5.158 112 HB2 LEU 45 HB2 LEU 45 0.208 -2.616 -5.543 113 HB3 LEU 45 HB3 LEU 45 0.876 -3.208 -4.030 114 HG LEU 45 HG LEU 45 1.665 -0.572 -5.345 115 HD11 LEU 45 HD11 LEU 45 0.398 0.456 -3.509 116 HD12 LEU 45 HD12 LEU 45 -0.058 -1.147 -2.906 117 HD13 LEU 45 HD13 LEU 45 -0.653 -0.595 -4.482 118 HD21 LEU 45 HD21 LEU 45 2.396 -1.724 -2.622 119 HD22 LEU 45 HD22 LEU 45 2.690 -0.061 -3.139 120 HD23 LEU 45 HD23 LEU 45 3.516 -1.375 -3.967 121 H ARG 46 H ARG 46 0.941 -4.767 -7.404 122 HA ARG 46 HA ARG 46 1.046 -7.387 -6.135 123 HB2 ARG 46 HB2 ARG 46 0.631 -6.430 -8.998 124 HB3 ARG 46 HB3 ARG 46 0.591 -8.147 -8.561 125 HG2 ARG 46 HG2 ARG 46 -1.313 -7.857 -7.143 126 HG3 ARG 46 HG3 ARG 46 -1.160 -6.097 -7.167 127 HD2 ARG 46 HD2 ARG 46 -1.569 -6.285 -9.722 128 HD3 ARG 46 HD3 ARG 46 -2.142 -7.927 -9.375 129 HE ARG 46 HE ARG 46 -3.184 -5.428 -8.046 130 HH11 ARG 46 HH11 ARG 46 -4.073 -8.592 -9.390 131 HH12 ARG 46 HH12 ARG 46 -5.706 -8.411 -8.783 132 HH21 ARG 46 HH21 ARG 46 -5.223 -5.207 -7.628 133 HH22 ARG 46 HH22 ARG 46 -6.360 -6.565 -7.816 134 H ASN 47 H ASN 47 3.170 -5.676 -8.428 135 HA ASN 47 HA ASN 47 5.048 -7.923 -8.568 136 HB2 ASN 47 HB2 ASN 47 5.269 -5.008 -9.387 137 HB3 ASN 47 HB3 ASN 47 6.599 -6.133 -9.487 138 HD21 ASN 47 HD21 ASN 47 5.011 -4.687 -11.561 139 HD22 ASN 47 HD22 ASN 47 4.535 -5.963 -12.672 140 H TYR 48 H TYR 48 4.845 -5.068 -6.377 141 HA TYR 48 HA TYR 48 7.360 -5.322 -5.238 142 HB2 TYR 48 HB2 TYR 48 4.795 -4.211 -4.293 143 HB3 TYR 48 HB3 TYR 48 5.938 -4.580 -3.085 144 HD1 TYR 48 HD1 TYR 48 5.254 -2.388 -5.988 145 HD2 TYR 48 HD2 TYR 48 7.832 -3.208 -2.675 146 HE1 TYR 48 HE1 TYR 48 6.273 -0.136 -6.245 147 HE2 TYR 48 HE2 TYR 48 8.899 -0.947 -2.960 148 HH TYR 48 HH TYR 48 7.908 1.298 -5.560 149 H LEU 49 H LEU 49 4.515 -7.269 -4.335 150 HA LEU 49 HA LEU 49 5.938 -8.620 -2.209 151 HB2 LEU 49 HB2 LEU 49 3.563 -9.458 -3.917 152 HB3 LEU 49 HB3 LEU 49 4.172 -10.420 -2.564 153 HG LEU 49 HG LEU 49 3.238 -7.566 -2.263 154 HD11 LEU 49 HD11 LEU 49 1.366 -8.917 -3.045 155 HD12 LEU 49 HD12 LEU 49 1.156 -8.663 -1.302 156 HD13 LEU 49 HD13 LEU 49 1.776 -10.215 -1.909 157 HD21 LEU 49 HD21 LEU 49 3.024 -8.120 0.119 158 HD22 LEU 49 HD22 LEU 49 4.689 -8.323 -0.425 159 HD23 LEU 49 HD23 LEU 49 3.650 -9.749 -0.193 160 H LYS 50 H LYS 50 5.499 -9.570 -5.676 161 HA LYS 50 HA LYS 50 7.018 -11.995 -5.415 162 HB2 LYS 50 HB2 LYS 50 6.879 -10.235 -7.885 163 HB3 LYS 50 HB3 LYS 50 7.302 -11.951 -7.764 164 HG2 LYS 50 HG2 LYS 50 4.998 -12.489 -7.046 165 HG3 LYS 50 HG3 LYS 50 4.536 -10.788 -7.211 166 HD2 LYS 50 HD2 LYS 50 5.616 -12.533 -9.466 167 HD3 LYS 50 HD3 LYS 50 3.903 -12.214 -9.186 168 HE2 LYS 50 HE2 LYS 50 4.148 -9.863 -9.670 169 HE3 LYS 50 HE3 LYS 50 5.909 -9.964 -9.646 170 HZ1 LYS 50 HZ1 LYS 50 4.199 -11.280 -11.681 171 HZ2 LYS 50 HZ2 LYS 50 5.854 -11.309 -11.622 172 HZ3 LYS 50 HZ3 LYS 50 5.056 -9.897 -11.886 173 H LYS 51 H LYS 51 8.028 -8.761 -6.436 174 HA LYS 51 HA LYS 51 10.861 -9.130 -6.670 175 HB2 LYS 51 HB2 LYS 51 9.073 -6.760 -6.214 176 HB3 LYS 51 HB3 LYS 51 10.823 -6.602 -6.436 177 HG2 LYS 51 HG2 LYS 51 10.690 -7.532 -8.657 178 HG3 LYS 51 HG3 LYS 51 8.942 -7.841 -8.474 179 HD2 LYS 51 HD2 LYS 51 8.511 -5.486 -8.194 180 HD3 LYS 51 HD3 LYS 51 10.236 -5.091 -8.284 181 HE2 LYS 51 HE2 LYS 51 8.938 -6.591 -10.557 182 HE3 LYS 51 HE3 LYS 51 8.562 -4.875 -10.341 183 HZ1 LYS 51 HZ1 LYS 51 10.402 -5.134 -11.810 184 HZ2 LYS 51 HZ2 LYS 51 10.930 -4.387 -10.422 185 HZ3 LYS 51 HZ3 LYS 51 11.292 -5.968 -10.698 186 H GLY 52 H GLY 52 8.995 -9.066 -3.790 187 HA2 GLY 52 HA2 GLY 52 11.190 -7.796 -2.207 188 HA3 GLY 52 HA3 GLY 52 9.458 -7.663 -1.975 189 H THR 53 H THR 53 8.628 -10.328 -2.019 190 HA THR 53 HA THR 53 9.520 -11.246 0.639 191 HB THR 53 HB THR 53 7.464 -12.440 0.712 192 HG1 THR 53 HG1 THR 53 6.935 -11.584 -1.977 193 HG21 THR 53 HG21 THR 53 5.693 -10.786 0.298 194 HG22 THR 53 HG22 THR 53 6.898 -9.697 -0.431 195 HG23 THR 53 HG23 THR 53 7.039 -10.207 1.264 196 H LYS 54 H LYS 54 9.337 -13.690 1.012 197 HA LYS 54 HA LYS 54 10.767 -15.259 -0.998 198 HB2 LYS 54 HB2 LYS 54 9.430 -16.144 1.585 199 HB3 LYS 54 HB3 LYS 54 10.477 -17.129 0.575 200 HG2 LYS 54 HG2 LYS 54 12.407 -15.775 1.043 201 HG3 LYS 54 HG3 LYS 54 11.436 -14.529 1.824 202 HD2 LYS 54 HD2 LYS 54 10.786 -16.143 3.600 203 HD3 LYS 54 HD3 LYS 54 11.859 -17.358 2.865 204 HE2 LYS 54 HE2 LYS 54 13.800 -15.854 3.190 205 HE3 LYS 54 HE3 LYS 54 12.722 -14.588 3.813 206 HZ1 LYS 54 HZ1 LYS 54 13.174 -17.221 5.108 207 HZ2 LYS 54 HZ2 LYS 54 12.138 -16.054 5.636 208 HZ3 LYS 54 HZ3 LYS 54 13.740 -15.753 5.648 209 H ASN 55 H ASN 55 7.346 -14.951 0.102 210 HA ASN 55 HA ASN 55 6.538 -16.092 -2.476 211 HB2 ASN 55 HB2 ASN 55 6.698 -18.032 -0.865 212 HB3 ASN 55 HB3 ASN 55 5.595 -17.190 0.214 213 HD21 ASN 55 HD21 ASN 55 4.150 -19.001 0.061 214 HD22 ASN 55 HD22 ASN 55 3.137 -19.191 -1.366 215 H SER 56 H SER 56 5.398 -14.453 -3.281 216 HA SER 56 HA SER 56 3.637 -12.685 -1.938 217 HB2 SER 56 HB2 SER 56 4.590 -12.415 -4.251 218 HB3 SER 56 HB3 SER 56 3.518 -13.709 -4.815 219 HG SER 56 HG SER 56 2.171 -12.110 -5.133 220 H ALA 57 H ALA 57 3.086 -16.033 -3.028 221 HA ALA 57 HA ALA 57 0.332 -15.724 -3.556 222 HB1 ALA 57 HB1 ALA 57 0.338 -18.140 -3.832 223 HB2 ALA 57 HB2 ALA 57 1.882 -18.269 -2.966 224 HB3 ALA 57 HB3 ALA 57 1.810 -17.450 -4.539 225 H GLN 58 H GLN 58 1.635 -15.794 -0.400 226 HA GLN 58 HA GLN 58 -0.808 -16.985 0.778 227 HB2 GLN 58 HB2 GLN 58 0.233 -16.606 2.923 228 HB3 GLN 58 HB3 GLN 58 1.271 -17.557 1.866 229 HG2 GLN 58 HG2 GLN 58 2.687 -15.604 1.427 230 HG3 GLN 58 HG3 GLN 58 1.643 -14.566 2.371 231 HE21 GLN 58 HE21 GLN 58 4.581 -15.267 2.748 232 HE22 GLN 58 HE22 GLN 58 4.612 -15.801 4.425 233 H PHE 59 H PHE 59 0.128 -13.930 -0.472 234 HA PHE 59 HA PHE 59 -1.420 -12.343 1.451 235 HB2 PHE 59 HB2 PHE 59 0.171 -11.593 -0.980 236 HB3 PHE 59 HB3 PHE 59 -0.746 -10.453 -0.007 237 HD1 PHE 59 HD1 PHE 59 -0.164 -10.003 2.367 238 HD2 PHE 59 HD2 PHE 59 2.283 -12.574 -0.071 239 HE1 PHE 59 HE1 PHE 59 1.654 -9.867 4.044 240 HE2 PHE 59 HE2 PHE 59 4.100 -12.436 1.592 241 HZ PHE 59 HZ PHE 59 3.792 -11.074 3.648 242 H GLU 60 H GLU 60 -3.135 -10.980 0.940 243 HA GLU 60 HA GLU 60 -4.984 -12.047 -1.173 244 HB2 GLU 60 HB2 GLU 60 -5.317 -13.332 0.847 245 HB3 GLU 60 HB3 GLU 60 -5.376 -11.868 1.837 246 HG2 GLU 60 HG2 GLU 60 -7.461 -11.175 0.752 247 HG3 GLU 60 HG3 GLU 60 -7.389 -12.584 -0.327 248 H LYS 61 H LYS 61 -4.316 -9.404 1.169 249 HA LYS 61 HA LYS 61 -5.398 -7.491 -0.768 250 HB2 LYS 61 HB2 LYS 61 -7.045 -6.481 0.597 251 HB3 LYS 61 HB3 LYS 61 -7.391 -8.202 0.593 252 HG2 LYS 61 HG2 LYS 61 -6.344 -8.392 2.853 253 HG3 LYS 61 HG3 LYS 61 -6.016 -6.647 2.845 254 HD2 LYS 61 HD2 LYS 61 -8.399 -6.168 2.687 255 HD3 LYS 61 HD3 LYS 61 -8.765 -7.874 2.506 256 HE2 LYS 61 HE2 LYS 61 -7.370 -6.654 4.927 257 HE3 LYS 61 HE3 LYS 61 -9.122 -6.854 4.826 258 HZ1 LYS 61 HZ1 LYS 61 -7.216 -9.135 4.678 259 HZ2 LYS 61 HZ2 LYS 61 -8.809 -9.242 4.638 260 HZ3 LYS 61 HZ3 LYS 61 -8.067 -8.733 6.024 261 H MET 62 H MET 62 -5.352 -5.277 0.199 262 HA MET 62 HA MET 62 -3.060 -4.652 1.899 263 HB2 MET 62 HB2 MET 62 -1.743 -3.492 0.218 264 HB3 MET 62 HB3 MET 62 -1.948 -5.180 -0.238 265 HG2 MET 62 HG2 MET 62 -3.690 -4.572 -1.856 266 HG3 MET 62 HG3 MET 62 -3.589 -2.875 -1.362 267 HE1 MET 62 HE1 MET 62 -2.086 -3.025 -5.021 268 HE2 MET 62 HE2 MET 62 -3.308 -2.241 -3.997 269 HE3 MET 62 HE3 MET 62 -3.412 -3.983 -4.346 270 H VAL 63 H VAL 63 -2.721 -2.353 2.227 271 HA VAL 63 HA VAL 63 -4.887 -0.541 1.378 272 HB VAL 63 HB VAL 63 -5.560 -1.567 3.547 273 HG11 VAL 63 HG11 VAL 63 -4.447 -1.201 5.554 274 HG12 VAL 63 HG12 VAL 63 -3.269 -0.072 4.805 275 HG13 VAL 63 HG13 VAL 63 -3.218 -1.794 4.438 276 HG21 VAL 63 HG21 VAL 63 -6.378 0.664 2.971 277 HG22 VAL 63 HG22 VAL 63 -4.949 1.403 3.740 278 HG23 VAL 63 HG23 VAL 63 -6.118 0.481 4.711 279 H ILE 64 H ILE 64 -4.208 1.512 1.030 280 HA ILE 64 HA ILE 64 -1.246 2.006 1.149 281 HB ILE 64 HB ILE 64 -3.284 2.820 -0.955 282 HG12 ILE 64 HG12 ILE 64 -1.163 0.715 -1.453 283 HG13 ILE 64 HG13 ILE 64 -2.734 0.243 -0.817 284 HG21 ILE 64 HG21 ILE 64 -0.229 2.925 -0.985 285 HG22 ILE 64 HG22 ILE 64 -1.316 4.325 -0.834 286 HG23 ILE 64 HG23 ILE 64 -1.293 3.394 -2.324 287 HD11 ILE 64 HD11 ILE 64 -3.864 1.295 -2.748 288 HD12 ILE 64 HD12 ILE 64 -2.768 -0.026 -3.189 289 HD13 ILE 64 HD13 ILE 64 -2.268 1.652 -3.454 290 H LEU 65 H LEU 65 -0.583 3.986 1.941 291 HA LEU 65 HA LEU 65 -2.669 6.048 2.513 292 HB2 LEU 65 HB2 LEU 65 -0.271 5.732 4.309 293 HB3 LEU 65 HB3 LEU 65 -1.769 6.575 4.597 294 HG LEU 65 HG LEU 65 -1.443 3.539 4.562 295 HD11 LEU 65 HD11 LEU 65 -1.734 3.688 6.968 296 HD12 LEU 65 HD12 LEU 65 -1.931 5.453 6.878 297 HD13 LEU 65 HD13 LEU 65 -0.369 4.714 6.491 298 HD21 LEU 65 HD21 LEU 65 -3.751 4.171 3.938 299 HD22 LEU 65 HD22 LEU 65 -3.822 5.295 5.303 300 HD23 LEU 65 HD23 LEU 65 -3.714 3.536 5.582 301 H THR 66 H THR 66 -2.165 8.101 1.923 302 HA THR 66 HA THR 66 0.465 8.487 0.570 303 HB THR 66 HB THR 66 -0.689 9.673 -1.199 304 HG1 THR 66 HG1 THR 66 -2.389 10.567 -0.128 305 HG21 THR 66 HG21 THR 66 -0.536 7.202 -1.405 306 HG22 THR 66 HG22 THR 66 -1.906 7.909 -2.276 307 HG23 THR 66 HG23 THR 66 -2.184 7.063 -0.737 308 H GLU 67 H GLU 67 0.886 10.887 -0.059 309 HA GLU 67 HA GLU 67 0.575 12.768 2.057 310 HB2 GLU 67 HB2 GLU 67 0.422 13.674 -0.822 311 HB3 GLU 67 HB3 GLU 67 1.040 14.518 0.560 312 HG2 GLU 67 HG2 GLU 67 3.028 13.215 0.595 313 HG3 GLU 67 HG3 GLU 67 2.413 12.049 -0.571 314 H ASN 68 H ASN 68 -0.891 14.627 2.125 315 HA ASN 68 HA ASN 68 -2.941 15.604 2.277 316 HB2 ASN 68 HB2 ASN 68 -3.312 14.403 -0.473 317 HB3 ASN 68 HB3 ASN 68 -4.098 15.836 0.142 318 HD21 ASN 68 HD21 ASN 68 -2.454 15.593 -2.229 319 HD22 ASN 68 HD22 ASN 68 -1.245 16.861 -1.967 320 H LYS 69 H LYS 69 -2.806 13.162 3.552 321 HA LYS 69 HA LYS 69 -3.994 11.717 4.765 322 HB2 LYS 69 HB2 LYS 69 -6.280 13.641 4.245 323 HB3 LYS 69 HB3 LYS 69 -6.167 12.477 5.574 324 HG2 LYS 69 HG2 LYS 69 -4.054 13.585 6.347 325 HG3 LYS 69 HG3 LYS 69 -4.265 14.821 5.104 326 HD2 LYS 69 HD2 LYS 69 -6.156 14.287 7.424 327 HD3 LYS 69 HD3 LYS 69 -4.990 15.614 7.260 328 HE2 LYS 69 HE2 LYS 69 -6.210 16.291 5.129 329 HE3 LYS 69 HE3 LYS 69 -7.474 15.133 5.561 330 HZ1 LYS 69 HZ1 LYS 69 -7.752 16.386 7.656 331 HZ2 LYS 69 HZ2 LYS 69 -7.979 17.384 6.353 332 HZ3 LYS 69 HZ3 LYS 69 -6.590 17.457 7.180 333 H GLY 70 H GLY 70 -4.054 11.214 1.764 334 HA2 GLY 70 HA2 GLY 70 -6.421 9.709 1.225 335 HA3 GLY 70 HA3 GLY 70 -4.878 9.496 0.419 336 H TYR 71 H TYR 71 -6.949 7.683 1.441 337 HA TYR 71 HA TYR 71 -5.249 5.550 2.550 338 HB2 TYR 71 HB2 TYR 71 -6.243 6.418 4.578 339 HB3 TYR 71 HB3 TYR 71 -7.819 6.555 3.828 340 HD1 TYR 71 HD1 TYR 71 -8.962 4.292 3.017 341 HD2 TYR 71 HD2 TYR 71 -5.873 4.528 6.051 342 HE1 TYR 71 HE1 TYR 71 -9.719 2.157 3.969 343 HE2 TYR 71 HE2 TYR 71 -6.711 2.440 7.037 344 HH TYR 71 HH TYR 71 -8.376 0.838 7.001 345 H TYR 72 H TYR 72 -5.635 3.802 1.241 346 HA TYR 72 HA TYR 72 -8.282 3.493 -0.131 347 HB2 TYR 72 HB2 TYR 72 -5.546 3.292 -1.453 348 HB3 TYR 72 HB3 TYR 72 -7.091 2.971 -2.213 349 HD1 TYR 72 HD1 TYR 72 -8.650 4.822 -2.768 350 HD2 TYR 72 HD2 TYR 72 -4.726 5.565 -1.132 351 HE1 TYR 72 HE1 TYR 72 -8.777 7.177 -3.538 352 HE2 TYR 72 HE2 TYR 72 -4.854 7.936 -1.910 353 HH TYR 72 HH TYR 72 -7.775 9.203 -3.553 354 H THR 73 H THR 73 -9.026 1.401 0.052 355 HA THR 73 HA THR 73 -7.058 -0.760 0.721 356 HB THR 73 HB THR 73 -8.899 -0.444 2.324 357 HG1 THR 73 HG1 THR 73 -9.487 -2.731 2.209 358 HG21 THR 73 HG21 THR 73 -10.703 -1.543 0.123 359 HG22 THR 73 HG22 THR 73 -10.774 0.112 0.775 360 HG23 THR 73 HG23 THR 73 -11.131 -1.271 1.820 361 H VAL 74 H VAL 74 -6.876 -2.625 -0.449 362 HA VAL 74 HA VAL 74 -8.442 -3.004 -2.939 363 HB VAL 74 HB VAL 74 -5.400 -2.907 -2.925 364 HG11 VAL 74 HG11 VAL 74 -7.422 -3.403 -5.148 365 HG12 VAL 74 HG12 VAL 74 -6.233 -4.566 -4.518 366 HG13 VAL 74 HG13 VAL 74 -5.681 -3.151 -5.400 367 HG21 VAL 74 HG21 VAL 74 -7.379 -0.972 -4.190 368 HG22 VAL 74 HG22 VAL 74 -5.629 -1.000 -4.503 369 HG23 VAL 74 HG23 VAL 74 -6.220 -0.609 -2.890 370 H TYR 75 H TYR 75 -9.089 -5.077 -2.992 371 HA TYR 75 HA TYR 75 -7.591 -7.245 -1.639 372 HB2 TYR 75 HB2 TYR 75 -10.164 -7.079 -3.203 373 HB3 TYR 75 HB3 TYR 75 -9.338 -8.615 -3.026 374 HD1 TYR 75 HD1 TYR 75 -10.482 -5.733 -0.849 375 HD2 TYR 75 HD2 TYR 75 -9.823 -9.987 -1.202 376 HE1 TYR 75 HE1 TYR 75 -11.511 -6.085 1.383 377 HE2 TYR 75 HE2 TYR 75 -10.889 -10.333 1.011 378 HH TYR 75 HH TYR 75 -11.937 -9.359 2.796 379 H LEU 76 H LEU 76 -5.974 -8.303 -2.524 380 HA LEU 76 HA LEU 76 -5.031 -7.752 -5.267 381 HB2 LEU 76 HB2 LEU 76 -4.017 -9.431 -2.928 382 HB3 LEU 76 HB3 LEU 76 -3.168 -9.316 -4.457 383 HG LEU 76 HG LEU 76 -3.830 -6.804 -2.865 384 HD11 LEU 76 HD11 LEU 76 -1.608 -6.939 -1.880 385 HD12 LEU 76 HD12 LEU 76 -1.346 -8.541 -2.610 386 HD13 LEU 76 HD13 LEU 76 -2.596 -8.313 -1.363 387 HD21 LEU 76 HD21 LEU 76 -1.657 -7.522 -4.883 388 HD22 LEU 76 HD22 LEU 76 -1.834 -5.958 -4.087 389 HD23 LEU 76 HD23 LEU 76 -3.081 -6.502 -5.212 390 H ASN 77 H ASN 77 -6.732 -10.265 -3.555 391 HA ASN 77 HA ASN 77 -5.961 -12.463 -5.183 392 HB2 ASN 77 HB2 ASN 77 -6.702 -12.415 -2.730 393 HB3 ASN 77 HB3 ASN 77 -8.362 -12.278 -3.316 394 HD21 ASN 77 HD21 ASN 77 -8.886 -14.320 -2.307 395 HD22 ASN 77 HD22 ASN 77 -8.297 -15.822 -2.998 396 H THR 78 H THR 78 -7.391 -10.202 -6.636 397 HA THR 78 HA THR 78 -8.990 -11.871 -8.434 398 HB THR 78 HB THR 78 -10.779 -10.197 -8.658 399 HG1 THR 78 HG1 THR 78 -10.960 -8.538 -7.209 400 HG21 THR 78 HG21 THR 78 -10.584 -10.982 -5.724 401 HG22 THR 78 HG22 THR 78 -11.166 -12.048 -7.020 402 HG23 THR 78 HG23 THR 78 -12.048 -10.561 -6.642 403 HA PRO 79 HA PRO 79 -6.944 -9.166 -11.473 404 HB2 PRO 79 HB2 PRO 79 -9.618 -9.211 -12.875 405 HB3 PRO 79 HB3 PRO 79 -7.982 -9.461 -13.558 406 HG2 PRO 79 HG2 PRO 79 -9.554 -11.599 -13.093 407 HG3 PRO 79 HG3 PRO 79 -7.829 -11.646 -12.583 408 HD2 PRO 79 HD2 PRO 79 -10.242 -11.042 -10.861 409 HD3 PRO 79 HD3 PRO 79 -8.886 -12.173 -10.563 410 H LEU 80 H LEU 80 -6.958 -6.979 -12.212 411 HA LEU 80 HA LEU 80 -7.878 -5.004 -10.431 412 HB2 LEU 80 HB2 LEU 80 -5.891 -4.893 -11.849 413 HB3 LEU 80 HB3 LEU 80 -6.886 -4.984 -13.299 414 HG LEU 80 HG LEU 80 -7.799 -2.724 -12.857 415 HD11 LEU 80 HD11 LEU 80 -7.576 -2.586 -10.401 416 HD12 LEU 80 HD12 LEU 80 -6.692 -1.279 -11.202 417 HD13 LEU 80 HD13 LEU 80 -5.809 -2.673 -10.549 418 HD21 LEU 80 HD21 LEU 80 -5.755 -3.162 -14.212 419 HD22 LEU 80 HD22 LEU 80 -4.760 -2.914 -12.775 420 HD23 LEU 80 HD23 LEU 80 -5.715 -1.565 -13.434 421 H ALA 81 H ALA 81 -9.444 -3.395 -10.575 422 HA ALA 81 HA ALA 81 -11.673 -3.785 -12.529 423 HB1 ALA 81 HB1 ALA 81 -11.676 -2.538 -9.751 424 HB2 ALA 81 HB2 ALA 81 -12.252 -4.170 -10.157 425 HB3 ALA 81 HB3 ALA 81 -13.081 -2.747 -10.819 426 H GLU 82 H GLU 82 -12.270 -2.088 -13.832 427 HA GLU 82 HA GLU 82 -10.497 0.057 -14.196 428 HB2 GLU 82 HB2 GLU 82 -11.861 0.833 -15.927 429 HB3 GLU 82 HB3 GLU 82 -11.845 -0.926 -15.964 430 HG2 GLU 82 HG2 GLU 82 -14.105 -0.926 -14.867 431 HG3 GLU 82 HG3 GLU 82 -14.119 0.839 -14.959 432 H ASP 83 H ASP 83 -12.658 -0.032 -11.670 433 HA ASP 83 HA ASP 83 -13.228 2.787 -11.270 434 HB2 ASP 83 HB2 ASP 83 -12.613 0.523 -9.323 435 HB3 ASP 83 HB3 ASP 83 -13.187 2.117 -8.853 436 H ARG 84 H ARG 84 -10.520 0.647 -10.373 437 HA ARG 84 HA ARG 84 -8.876 2.670 -9.119 438 HB2 ARG 84 HB2 ARG 84 -8.389 -0.157 -10.147 439 HB3 ARG 84 HB3 ARG 84 -7.126 0.794 -9.379 440 HG2 ARG 84 HG2 ARG 84 -8.503 0.997 -7.333 441 HG3 ARG 84 HG3 ARG 84 -9.798 0.085 -8.094 442 HD2 ARG 84 HD2 ARG 84 -7.313 -1.428 -8.311 443 HD3 ARG 84 HD3 ARG 84 -7.538 -0.918 -6.639 444 HE ARG 84 HE ARG 84 -9.977 -1.848 -7.018 445 HH11 ARG 84 HH11 ARG 84 -6.995 -3.533 -8.013 446 HH12 ARG 84 HH12 ARG 84 -7.898 -5.043 -7.967 447 HH21 ARG 84 HH21 ARG 84 -10.871 -3.762 -7.054 448 HH22 ARG 84 HH22 ARG 84 -9.918 -5.200 -7.441 449 H LYS 85 H LYS 85 -9.193 1.467 -12.397 450 HA LYS 85 HA LYS 85 -6.744 2.553 -13.475 451 HB2 LYS 85 HB2 LYS 85 -9.369 1.899 -14.854 452 HB3 LYS 85 HB3 LYS 85 -7.882 2.369 -15.678 453 HG2 LYS 85 HG2 LYS 85 -6.703 0.408 -14.646 454 HG3 LYS 85 HG3 LYS 85 -8.248 -0.131 -13.966 455 HD2 LYS 85 HD2 LYS 85 -9.194 -0.206 -16.303 456 HD3 LYS 85 HD3 LYS 85 -7.601 0.270 -16.919 457 HE2 LYS 85 HE2 LYS 85 -6.618 -1.786 -15.869 458 HE3 LYS 85 HE3 LYS 85 -8.245 -2.278 -15.359 459 HZ1 LYS 85 HZ1 LYS 85 -7.641 -3.335 -17.435 460 HZ2 LYS 85 HZ2 LYS 85 -7.345 -1.875 -18.153 461 HZ3 LYS 85 HZ3 LYS 85 -8.876 -2.283 -17.725 462 H ASN 86 H ASN 86 -9.588 4.149 -12.448 463 HA ASN 86 HA ASN 86 -8.858 6.604 -14.003 464 HB2 ASN 86 HB2 ASN 86 -11.552 5.355 -13.314 465 HB3 ASN 86 HB3 ASN 86 -11.369 6.985 -13.954 466 HD21 ASN 86 HD21 ASN 86 -11.330 3.589 -14.787 467 HD22 ASN 86 HD22 ASN 86 -10.887 3.856 -16.478 468 H VAL 87 H VAL 87 -9.303 5.441 -10.764 469 HA VAL 87 HA VAL 87 -10.066 7.965 -9.581 470 HB VAL 87 HB VAL 87 -10.281 5.611 -8.622 471 HG11 VAL 87 HG11 VAL 87 -8.568 4.673 -7.307 472 HG12 VAL 87 HG12 VAL 87 -7.456 6.024 -7.608 473 HG13 VAL 87 HG13 VAL 87 -7.903 4.927 -8.932 474 HG21 VAL 87 HG21 VAL 87 -9.089 7.759 -6.824 475 HG22 VAL 87 HG22 VAL 87 -10.094 6.382 -6.317 476 HG23 VAL 87 HG23 VAL 87 -10.788 7.648 -7.341 477 H GLU 88 H GLU 88 -8.833 9.675 -8.899 478 HA GLU 88 HA GLU 88 -5.936 9.702 -9.594 479 HB2 GLU 88 HB2 GLU 88 -7.809 11.902 -8.611 480 HB3 GLU 88 HB3 GLU 88 -6.107 12.103 -9.032 481 HG2 GLU 88 HG2 GLU 88 -6.594 11.419 -11.369 482 HG3 GLU 88 HG3 GLU 88 -8.299 11.206 -10.958 483 H LEU 89 H LEU 89 -4.414 9.297 -8.045 484 HA LEU 89 HA LEU 89 -5.049 8.916 -5.257 485 HB2 LEU 89 HB2 LEU 89 -2.405 9.424 -6.683 486 HB3 LEU 89 HB3 LEU 89 -2.540 8.998 -4.997 487 HG LEU 89 HG LEU 89 -3.481 7.198 -7.271 488 HD11 LEU 89 HD11 LEU 89 -1.526 5.828 -6.734 489 HD12 LEU 89 HD12 LEU 89 -1.026 6.988 -5.478 490 HD13 LEU 89 HD13 LEU 89 -1.004 7.455 -7.183 491 HD21 LEU 89 HD21 LEU 89 -4.736 6.722 -5.223 492 HD22 LEU 89 HD22 LEU 89 -3.239 6.753 -4.259 493 HD23 LEU 89 HD23 LEU 89 -3.509 5.472 -5.446 494 H LEU 90 H LEU 90 -5.307 10.331 -3.690 495 HA LEU 90 HA LEU 90 -5.244 13.136 -3.915 496 HB2 LEU 90 HB2 LEU 90 -5.060 11.253 -1.548 497 HB3 LEU 90 HB3 LEU 90 -5.093 12.998 -1.327 498 HG LEU 90 HG LEU 90 -7.275 11.537 -2.872 499 HD11 LEU 90 HD11 LEU 90 -8.621 11.746 -0.790 500 HD12 LEU 90 HD12 LEU 90 -7.165 12.286 0.079 501 HD13 LEU 90 HD13 LEU 90 -7.252 10.647 -0.621 502 HD21 LEU 90 HD21 LEU 90 -7.178 13.945 -3.311 503 HD22 LEU 90 HD22 LEU 90 -7.168 14.278 -1.564 504 HD23 LEU 90 HD23 LEU 90 -8.593 13.551 -2.333 505 H GLY 91 H GLY 91 -2.533 11.017 -3.326 506 HA2 GLY 91 HA2 GLY 91 -0.553 13.081 -3.713 507 HA3 GLY 91 HA3 GLY 91 -0.721 12.580 -2.028 508 H LYS 92 H LYS 92 1.673 12.159 -2.837 509 HA LYS 92 HA LYS 92 2.213 9.741 -4.269 510 HB2 LYS 92 HB2 LYS 92 3.695 11.923 -3.439 511 HB3 LYS 92 HB3 LYS 92 4.238 10.736 -2.304 512 HG2 LYS 92 HG2 LYS 92 5.738 10.542 -4.124 513 HG3 LYS 92 HG3 LYS 92 4.573 9.243 -4.488 514 HD2 LYS 92 HD2 LYS 92 3.275 10.997 -5.828 515 HD3 LYS 92 HD3 LYS 92 4.653 12.080 -5.596 516 HE2 LYS 92 HE2 LYS 92 6.107 10.652 -6.849 517 HE3 LYS 92 HE3 LYS 92 4.918 9.328 -6.834 518 HZ1 LYS 92 HZ1 LYS 92 4.477 11.930 -8.182 519 HZ2 LYS 92 HZ2 LYS 92 3.453 10.638 -8.189 520 HZ3 LYS 92 HZ3 LYS 92 4.878 10.530 -8.968 521 H MET 93 H MET 93 3.297 7.843 -3.569 522 HA MET 93 HA MET 93 1.798 6.380 -1.596 523 HB2 MET 93 HB2 MET 93 2.585 5.514 -3.854 524 HB3 MET 93 HB3 MET 93 4.215 5.468 -3.198 525 HG2 MET 93 HG2 MET 93 3.074 3.975 -1.294 526 HG3 MET 93 HG3 MET 93 1.788 3.818 -2.474 527 HE1 MET 93 HE1 MET 93 5.387 2.829 -1.371 528 HE2 MET 93 HE2 MET 93 5.845 3.790 -2.800 529 HE3 MET 93 HE3 MET 93 6.066 2.028 -2.808 530 H TYR 94 H TYR 94 2.714 7.930 0.234 531 HA TYR 94 HA TYR 94 5.292 7.523 1.285 532 HB2 TYR 94 HB2 TYR 94 3.941 9.334 2.030 533 HB3 TYR 94 HB3 TYR 94 2.658 8.265 2.564 534 HD1 TYR 94 HD1 TYR 94 6.370 8.701 3.218 535 HD2 TYR 94 HD2 TYR 94 2.451 7.932 4.851 536 HE1 TYR 94 HE1 TYR 94 7.326 8.664 5.519 537 HE2 TYR 94 HE2 TYR 94 3.408 7.854 7.120 538 HH TYR 94 HH TYR 94 6.887 8.401 7.750 539 H LYS 95 H LYS 95 2.398 5.497 1.918 540 HA LYS 95 HA LYS 95 4.127 3.337 3.039 541 HB2 LYS 95 HB2 LYS 95 1.798 4.709 4.432 542 HB3 LYS 95 HB3 LYS 95 2.244 3.062 4.818 543 HG2 LYS 95 HG2 LYS 95 4.154 5.390 5.175 544 HG3 LYS 95 HG3 LYS 95 3.027 4.816 6.407 545 HD2 LYS 95 HD2 LYS 95 4.095 2.496 6.124 546 HD3 LYS 95 HD3 LYS 95 5.369 3.299 5.217 547 HE2 LYS 95 HE2 LYS 95 4.574 3.684 8.144 548 HE3 LYS 95 HE3 LYS 95 6.072 3.003 7.516 549 HZ1 LYS 95 HZ1 LYS 95 6.420 5.320 6.520 550 HZ2 LYS 95 HZ2 LYS 95 5.257 5.810 7.617 551 HZ3 LYS 95 HZ3 LYS 95 6.635 5.144 8.149 552 H THR 96 H THR 96 3.298 1.281 2.794 553 HA THR 96 HA THR 96 0.406 0.917 2.199 554 HB THR 96 HB THR 96 2.484 -0.817 0.817 555 HG1 THR 96 HG1 THR 96 2.447 1.346 0.222 556 HG21 THR 96 HG21 THR 96 0.568 -1.366 -0.701 557 HG22 THR 96 HG22 THR 96 -0.508 -0.448 0.367 558 HG23 THR 96 HG23 THR 96 0.288 -1.919 0.947 559 H TYR 97 H TYR 97 -0.424 -0.960 3.015 560 HA TYR 97 HA TYR 97 1.326 -2.767 4.641 561 HB2 TYR 97 HB2 TYR 97 -1.373 -1.704 5.581 562 HB3 TYR 97 HB3 TYR 97 -0.341 -2.818 6.385 563 HD1 TYR 97 HD1 TYR 97 -0.655 0.733 5.353 564 HD2 TYR 97 HD2 TYR 97 1.624 -2.142 7.620 565 HE1 TYR 97 HE1 TYR 97 0.496 2.578 6.575 566 HE2 TYR 97 HE2 TYR 97 2.718 -0.301 8.870 567 HH TYR 97 HH TYR 97 2.740 1.979 9.291 568 H PHE 98 H PHE 98 0.708 -4.917 4.671 569 HA PHE 98 HA PHE 98 -1.297 -5.820 2.627 570 HB2 PHE 98 HB2 PHE 98 1.643 -6.351 2.998 571 HB3 PHE 98 HB3 PHE 98 0.644 -7.485 2.119 572 HD1 PHE 98 HD1 PHE 98 2.093 -4.054 2.075 573 HD2 PHE 98 HD2 PHE 98 0.011 -7.116 -0.125 574 HE1 PHE 98 HE1 PHE 98 2.662 -2.918 -0.071 575 HE2 PHE 98 HE2 PHE 98 0.642 -6.008 -2.266 576 HZ PHE 98 HZ PHE 98 1.993 -3.938 -2.229 577 H PHE 99 H PHE 99 -2.183 -7.828 2.884 578 HA PHE 99 HA PHE 99 -1.905 -9.092 5.602 579 HB2 PHE 99 HB2 PHE 99 -4.396 -8.472 3.949 580 HB3 PHE 99 HB3 PHE 99 -4.384 -9.164 5.551 581 HD1 PHE 99 HD1 PHE 99 -3.712 -6.041 3.596 582 HD2 PHE 99 HD2 PHE 99 -4.319 -7.723 7.522 583 HE1 PHE 99 HE1 PHE 99 -3.824 -3.807 4.515 584 HE2 PHE 99 HE2 PHE 99 -4.487 -5.415 8.435 585 HZ PHE 99 HZ PHE 99 -4.113 -3.461 6.961 586 H LYS 100 H LYS 100 -1.823 -11.288 5.652 587 HA LYS 100 HA LYS 100 -1.863 -12.892 3.229 588 HB2 LYS 100 HB2 LYS 100 -1.771 -13.688 6.133 589 HB3 LYS 100 HB3 LYS 100 -1.607 -14.813 4.779 590 HG2 LYS 100 HG2 LYS 100 0.486 -14.222 4.257 591 HG3 LYS 100 HG3 LYS 100 0.312 -12.531 4.693 592 HD2 LYS 100 HD2 LYS 100 0.324 -13.157 7.096 593 HD3 LYS 100 HD3 LYS 100 0.502 -14.866 6.653 594 HE2 LYS 100 HE2 LYS 100 2.684 -14.273 5.518 595 HE3 LYS 100 HE3 LYS 100 2.487 -12.617 6.124 596 HZ1 LYS 100 HZ1 LYS 100 2.802 -15.083 7.757 597 HZ2 LYS 100 HZ2 LYS 100 2.399 -13.617 8.391 598 HZ3 LYS 100 HZ3 LYS 100 3.852 -13.846 7.655 599 H LYS 101 H LYS 101 -3.177 -14.856 3.069 600 HA LYS 101 HA LYS 101 -5.969 -14.473 2.891 601 HB2 LYS 101 HB2 LYS 101 -6.014 -16.895 2.326 602 HB3 LYS 101 HB3 LYS 101 -4.794 -15.999 1.442 603 HG2 LYS 101 HG2 LYS 101 -3.007 -16.975 2.558 604 HG3 LYS 101 HG3 LYS 101 -3.933 -17.349 4.007 605 HD2 LYS 101 HD2 LYS 101 -4.516 -18.749 1.375 606 HD3 LYS 101 HD3 LYS 101 -3.212 -19.291 2.447 607 HE2 LYS 101 HE2 LYS 101 -4.744 -19.598 4.309 608 HE3 LYS 101 HE3 LYS 101 -6.092 -18.933 3.377 609 HZ1 LYS 101 HZ1 LYS 101 -6.065 -21.390 3.400 610 HZ2 LYS 101 HZ2 LYS 101 -4.612 -21.404 2.616 611 HZ3 LYS 101 HZ3 LYS 101 -5.923 -20.799 1.870 612 H GLY 102 H GLY 102 -5.706 -13.746 5.427 613 HA2 GLY 102 HA2 GLY 102 -7.753 -14.909 6.877 614 HA3 GLY 102 HA3 GLY 102 -6.345 -15.869 7.334 615 H GLU 103 H GLU 103 -6.607 -12.286 6.758 616 HA GLU 103 HA GLU 103 -5.726 -11.842 9.577 617 HB2 GLU 103 HB2 GLU 103 -4.308 -10.798 7.096 618 HB3 GLU 103 HB3 GLU 103 -3.991 -10.265 8.748 619 HG2 GLU 103 HG2 GLU 103 -3.538 -12.750 9.280 620 HG3 GLU 103 HG3 GLU 103 -3.448 -12.981 7.532 621 H SER 104 H SER 104 -5.776 -9.767 10.354 622 HA SER 104 HA SER 104 -7.468 -7.697 9.037 623 HB2 SER 104 HB2 SER 104 -8.572 -7.360 11.255 624 HB3 SER 104 HB3 SER 104 -9.030 -8.814 10.378 625 HG SER 104 HG SER 104 -7.731 -10.024 11.809 626 H LYS 105 H LYS 105 -4.560 -8.378 10.638 627 HA LYS 105 HA LYS 105 -3.912 -5.476 10.581 628 HB2 LYS 105 HB2 LYS 105 -4.284 -6.067 12.931 629 HB3 LYS 105 HB3 LYS 105 -3.138 -7.415 12.792 630 HG2 LYS 105 HG2 LYS 105 -1.323 -5.946 12.496 631 HG3 LYS 105 HG3 LYS 105 -2.312 -4.525 12.297 632 HD2 LYS 105 HD2 LYS 105 -1.443 -4.434 14.538 633 HD3 LYS 105 HD3 LYS 105 -3.143 -4.852 14.700 634 HE2 LYS 105 HE2 LYS 105 -2.601 -7.198 15.012 635 HE3 LYS 105 HE3 LYS 105 -0.885 -6.873 14.681 636 HZ1 LYS 105 HZ1 LYS 105 -1.311 -6.990 17.061 637 HZ2 LYS 105 HZ2 LYS 105 -2.400 -5.741 16.974 638 HZ3 LYS 105 HZ3 LYS 105 -0.803 -5.490 16.644 639 H SER 106 H SER 106 -2.132 -5.120 9.410 640 HA SER 106 HA SER 106 -1.434 -7.103 7.566 641 HB2 SER 106 HB2 SER 106 0.012 -5.490 6.580 642 HB3 SER 106 HB3 SER 106 -1.345 -4.614 7.288 643 HG SER 106 HG SER 106 1.358 -4.739 8.028 644 H SER 107 H SER 107 0.484 -8.085 6.920 645 HA SER 107 HA SER 107 2.567 -8.587 9.028 646 HB2 SER 107 HB2 SER 107 1.037 -10.550 8.476 647 HB3 SER 107 HB3 SER 107 1.610 -10.455 6.808 648 HG SER 107 HG SER 107 3.028 -11.133 9.153 649 H TYR 108 H TYR 108 2.044 -7.390 5.878 650 HA TYR 108 HA TYR 108 4.971 -7.033 5.597 651 HB2 TYR 108 HB2 TYR 108 4.132 -8.826 4.028 652 HB3 TYR 108 HB3 TYR 108 3.246 -7.618 3.164 653 HD1 TYR 108 HD1 TYR 108 6.503 -8.846 4.158 654 HD2 TYR 108 HD2 TYR 108 4.480 -6.153 1.506 655 HE1 TYR 108 HE1 TYR 108 8.588 -8.643 2.782 656 HE2 TYR 108 HE2 TYR 108 6.579 -5.972 0.121 657 HH TYR 108 HH TYR 108 8.859 -6.654 -0.115 658 H VAL 109 H VAL 109 5.545 -5.115 4.686 659 HA VAL 109 HA VAL 109 3.583 -2.971 4.185 660 HB VAL 109 HB VAL 109 3.507 -2.746 6.363 661 HG11 VAL 109 HG11 VAL 109 4.758 -4.366 7.384 662 HG12 VAL 109 HG12 VAL 109 5.531 -2.898 7.992 663 HG13 VAL 109 HG13 VAL 109 6.249 -3.796 6.630 664 HG21 VAL 109 HG21 VAL 109 5.871 -0.964 6.018 665 HG22 VAL 109 HG22 VAL 109 4.687 -0.923 7.330 666 HG23 VAL 109 HG23 VAL 109 4.168 -0.571 5.682 667 H ILE 110 H ILE 110 4.462 -1.110 3.295 668 HA ILE 110 HA ILE 110 7.264 -1.378 2.290 669 HB ILE 110 HB ILE 110 4.829 -0.937 0.590 670 HG12 ILE 110 HG12 ILE 110 6.198 -3.522 1.300 671 HG13 ILE 110 HG13 ILE 110 4.497 -3.150 1.239 672 HG21 ILE 110 HG21 ILE 110 6.949 0.024 -0.312 673 HG22 ILE 110 HG22 ILE 110 6.343 -1.274 -1.325 674 HG23 ILE 110 HG23 ILE 110 7.706 -1.572 -0.238 675 HD11 ILE 110 HD11 ILE 110 4.924 -4.650 -0.515 676 HD12 ILE 110 HD12 ILE 110 6.375 -3.781 -1.028 677 HD13 ILE 110 HD13 ILE 110 4.757 -3.073 -1.317 678 H ASN 111 H ASN 111 8.307 0.434 2.398 679 HA ASN 111 HA ASN 111 6.944 2.992 2.989 680 HB2 ASN 111 HB2 ASN 111 9.915 2.315 2.702 681 HB3 ASN 111 HB3 ASN 111 9.229 3.756 3.453 682 HD21 ASN 111 HD21 ASN 111 7.673 3.226 5.363 683 HD22 ASN 111 HD22 ASN 111 8.157 1.866 6.402 684 H GLY 112 H GLY 112 7.155 4.895 1.630 685 HA2 GLY 112 HA2 GLY 112 8.716 4.742 -0.849 686 HA3 GLY 112 HA3 GLY 112 6.967 4.722 -1.083 687 HA PRO 113 HA PRO 113 8.606 9.091 -0.854 688 HB2 PRO 113 HB2 PRO 113 7.811 10.019 -3.267 689 HB3 PRO 113 HB3 PRO 113 9.261 8.986 -3.098 690 HG2 PRO 113 HG2 PRO 113 6.459 8.117 -3.883 691 HG3 PRO 113 HG3 PRO 113 7.993 7.749 -4.711 692 HD2 PRO 113 HD2 PRO 113 6.786 6.059 -2.906 693 HD3 PRO 113 HD3 PRO 113 8.561 6.140 -3.069 694 H GLY 114 H GLY 114 7.507 10.692 -0.144 695 HA2 GLY 114 HA2 GLY 114 5.237 11.982 -0.578 696 HA3 GLY 114 HA3 GLY 114 4.554 10.582 0.254 697 H LYS 115 H LYS 115 7.158 10.570 1.928 698 HA LYS 115 HA LYS 115 7.903 11.175 3.946 699 HB2 LYS 115 HB2 LYS 115 7.254 13.900 2.811 700 HB3 LYS 115 HB3 LYS 115 8.180 13.656 4.295 701 HG2 LYS 115 HG2 LYS 115 9.905 12.418 3.036 702 HG3 LYS 115 HG3 LYS 115 8.967 12.615 1.537 703 HD2 LYS 115 HD2 LYS 115 9.097 15.080 1.766 704 HD3 LYS 115 HD3 LYS 115 10.009 14.890 3.274 705 HE2 LYS 115 HE2 LYS 115 11.756 13.613 1.925 706 HE3 LYS 115 HE3 LYS 115 10.884 14.102 0.460 707 HZ1 LYS 115 HZ1 LYS 115 11.215 16.437 1.174 708 HZ2 LYS 115 HZ2 LYS 115 12.659 15.657 0.997 709 HZ3 LYS 115 HZ3 LYS 115 12.059 15.906 2.498 710 H THR 116 H THR 116 4.605 12.589 3.568 711 HA THR 116 HA THR 116 3.998 11.832 6.319 712 HB THR 116 HB THR 116 5.037 13.977 6.796 713 HG1 THR 116 HG1 THR 116 3.304 14.975 7.740 714 HG21 THR 116 HG21 THR 116 3.077 15.257 4.844 715 HG22 THR 116 HG22 THR 116 4.826 15.097 4.572 716 HG23 THR 116 HG23 THR 116 4.227 16.100 5.902 717 H ASN 117 H ASN 117 1.765 11.690 6.641 718 HA ASN 117 HA ASN 117 0.090 11.769 4.236 719 HB2 ASN 117 HB2 ASN 117 -0.534 11.177 7.157 720 HB3 ASN 117 HB3 ASN 117 -1.626 10.936 5.791 721 HD21 ASN 117 HD21 ASN 117 -0.465 9.601 3.933 722 HD22 ASN 117 HD22 ASN 117 0.400 8.178 4.524 723 H GLU 118 H GLU 118 0.977 14.046 6.644 724 HA GLU 118 HA GLU 118 -1.595 15.303 7.026 725 HB2 GLU 118 HB2 GLU 118 1.171 16.087 7.944 726 HB3 GLU 118 HB3 GLU 118 -0.343 16.691 8.623 727 HG2 GLU 118 HG2 GLU 118 -0.919 14.522 9.508 728 HG3 GLU 118 HG3 GLU 118 0.426 13.741 8.684 729 H TYR 119 H TYR 119 -1.136 15.593 4.334 730 HA TYR 119 HA TYR 119 -1.307 16.985 2.685 731 HB2 TYR 119 HB2 TYR 119 -2.743 18.196 4.590 732 HB3 TYR 119 HB3 TYR 119 -1.646 19.507 4.180 733 HD1 TYR 119 HD1 TYR 119 -1.265 19.825 1.522 734 HD2 TYR 119 HD2 TYR 119 -4.693 17.917 3.329 735 HE1 TYR 119 HE1 TYR 119 -2.485 19.995 -0.620 736 HE2 TYR 119 HE2 TYR 119 -5.941 18.153 1.199 737 HH TYR 119 HH TYR 119 -4.363 19.421 -1.764 738 H ALA 120 H ALA 120 0.515 16.851 1.587 739 HA ALA 120 HA ALA 120 2.520 18.992 1.953 740 HB1 ALA 120 HB1 ALA 120 3.224 17.018 3.270 741 HB2 ALA 120 HB2 ALA 120 4.326 17.292 1.919 742 HB3 ALA 120 HB3 ALA 120 3.109 16.000 1.810 743 H TYR 121 H TYR 121 0.466 18.154 -0.142 744 HA TYR 121 HA TYR 121 2.105 18.966 -2.439 745 HB2 TYR 121 HB2 TYR 121 2.379 16.532 -2.399 746 HB3 TYR 121 HB3 TYR 121 0.652 16.295 -2.431 747 HD1 TYR 121 HD1 TYR 121 3.106 18.372 -4.438 748 HD2 TYR 121 HD2 TYR 121 0.025 15.355 -4.470 749 HE1 TYR 121 HE1 TYR 121 3.327 18.165 -6.913 750 HE2 TYR 121 HE2 TYR 121 0.246 15.151 -6.945 751 HH TYR 121 HH TYR 121 1.301 15.910 -8.821 752 H1 ACE 6 H1 ACE 6 9.914 4.520 -10.087 753 H2 ACE 6 H2 ACE 6 11.344 4.031 -11.009 754 H3 ACE 6 H3 ACE 6 9.784 3.235 -11.320 755 H THR 7 H THR 7 12.094 1.793 -10.713 756 HA THR 7 HA THR 7 11.182 0.270 -8.418 757 HB THR 7 HB THR 7 11.951 -0.697 -10.544 758 HG1 THR 7 HG1 THR 7 11.775 -2.053 -8.983 759 HG21 THR 7 HG21 THR 7 14.253 -1.115 -11.028 760 HG22 THR 7 HG22 THR 7 14.798 -0.219 -9.604 761 HG23 THR 7 HG23 THR 7 14.010 0.637 -10.948 762 H THR 8 H THR 8 11.966 2.834 -7.577 763 HA THR 8 HA THR 8 14.658 2.833 -6.488 764 HB THR 8 HB THR 8 12.368 4.819 -6.345 765 HG1 THR 8 HG1 THR 8 13.559 5.856 -7.817 766 HG21 THR 8 HG21 THR 8 15.209 5.054 -5.284 767 HG22 THR 8 HG22 THR 8 13.694 5.243 -4.367 768 HG23 THR 8 HG23 THR 8 14.130 6.439 -5.593 769 HA PRO 9 HA PRO 9 12.567 2.669 -2.144 770 HB2 PRO 9 HB2 PRO 9 10.101 1.069 -2.798 771 HB3 PRO 9 HB3 PRO 9 10.342 2.314 -1.530 772 HG2 PRO 9 HG2 PRO 9 9.012 3.006 -3.753 773 HG3 PRO 9 HG3 PRO 9 10.294 4.081 -3.134 774 HD2 PRO 9 HD2 PRO 9 10.558 1.992 -5.331 775 HD3 PRO 9 HD3 PRO 9 10.996 3.719 -5.362 776 H ASP 10 H ASP 10 12.428 0.735 -0.580 777 HA ASP 10 HA ASP 10 14.225 -1.272 -1.650 778 HB2 ASP 10 HB2 ASP 10 13.542 -0.107 1.000 779 HB3 ASP 10 HB3 ASP 10 13.915 -1.797 1.109 780 HN2 TYS 11 HN2 TYS 11 11.528 -1.539 -2.348 781 HA TYS 11 HA TYS 11 9.895 -3.135 -2.706 782 HB2 TYS 11 HB2 TYS 11 12.531 -4.351 -3.317 783 HB3 TYS 11 HB3 TYS 11 11.142 -5.438 -3.311 784 HD1 TYS 11 HD1 TYS 11 12.270 -2.114 -4.632 785 HD2 TYS 11 HD2 TYS 11 9.311 -5.207 -4.801 786 HE1 TYS 11 HE1 TYS 11 10.949 -0.808 -6.202 787 HE2 TYS 11 HE2 TYS 11 8.193 -4.080 -6.579 788 H GLY 12 H GLY 12 9.873 -2.506 -0.470 789 HA2 GLY 12 HA2 GLY 12 8.378 -2.946 1.238 790 HA3 GLY 12 HA3 GLY 12 8.040 -4.471 0.444 791 H HIS 13 H HIS 13 7.907 -4.434 3.256 792 HA HIS 13 HA HIS 13 9.969 -6.442 3.829 793 HB2 HIS 13 HB2 HIS 13 10.566 -5.424 5.970 794 HB3 HIS 13 HB3 HIS 13 11.133 -4.460 4.605 795 HD1 HIS 13 HD1 HIS 13 9.664 -2.153 4.043 796 HD2 HIS 13 HD2 HIS 13 8.601 -4.265 7.546 797 HE1 HIS 13 HE1 HIS 13 7.930 -0.730 5.285 798 HE2 HIS 13 HE2 HIS 13 7.666 -1.819 7.613 799 HN2 TYS 14 HN2 TYS 14 9.527 -7.788 5.535 800 HA TYS 14 HA TYS 14 6.751 -7.879 6.555 801 HB2 TYS 14 HB2 TYS 14 9.218 -9.614 7.065 802 HB3 TYS 14 HB3 TYS 14 7.707 -9.843 7.899 803 HD1 TYS 14 HD1 TYS 14 9.281 -9.991 4.451 804 HD2 TYS 14 HD2 TYS 14 5.755 -10.848 6.806 805 HE1 TYS 14 HE1 TYS 14 8.524 -11.497 2.760 806 HE2 TYS 14 HE2 TYS 14 5.009 -12.395 5.091 807 H ASP 15 H ASP 15 6.045 -7.268 8.506 808 HA ASP 15 HA ASP 15 8.026 -6.523 10.572 809 HB2 ASP 15 HB2 ASP 15 7.289 -4.469 9.118 810 HB3 ASP 15 HB3 ASP 15 5.805 -4.553 9.992 811 H ASP 16 H ASP 16 6.705 -5.836 12.618 812 HA ASP 16 HA ASP 16 4.380 -7.630 13.132 813 HB2 ASP 16 HB2 ASP 16 6.882 -7.499 14.863 814 HB3 ASP 16 HB3 ASP 16 5.435 -8.447 15.201 815 H LYS 17 H LYS 17 5.648 -4.533 13.397 816 HA LYS 17 HA LYS 17 3.606 -3.800 15.425 817 HB2 LYS 17 HB2 LYS 17 5.072 -2.539 16.774 818 HB3 LYS 17 HB3 LYS 17 5.691 -4.177 16.681 819 HG2 LYS 17 HG2 LYS 17 7.035 -2.684 14.622 820 HG3 LYS 17 HG3 LYS 17 6.955 -1.634 16.023 821 HD2 LYS 17 HD2 LYS 17 8.996 -2.789 16.251 822 HD3 LYS 17 HD3 LYS 17 7.910 -3.580 17.390 823 HE2 LYS 17 HE2 LYS 17 9.103 -5.318 16.277 824 HE3 LYS 17 HE3 LYS 17 7.469 -5.348 15.613 825 HZ1 LYS 17 HZ1 LYS 17 9.818 -4.043 14.337 826 HZ2 LYS 17 HZ2 LYS 17 8.313 -4.112 13.674 827 HZ3 LYS 17 HZ3 LYS 17 9.176 -5.490 13.863 828 H ASP 18 H ASP 18 5.790 -2.728 12.853 829 HA ASP 18 HA ASP 18 4.177 -0.283 12.416 830 HB2 ASP 18 HB2 ASP 18 6.594 -1.514 11.103 831 HB3 ASP 18 HB3 ASP 18 5.566 -0.424 10.186 832 H THR 19 H THR 19 2.155 -1.317 12.406 833 HA THR 19 HA THR 19 1.447 -2.561 9.806 834 HB THR 19 HB THR 19 1.615 -4.537 11.159 835 HG1 THR 19 HG1 THR 19 -0.015 -4.623 9.973 836 HG21 THR 19 HG21 THR 19 -0.004 -3.205 13.307 837 HG22 THR 19 HG22 THR 19 1.733 -3.585 13.396 838 HG23 THR 19 HG23 THR 19 0.588 -4.902 13.240 839 H LEU 20 H LEU 20 -0.811 -2.488 9.268 840 HA LEU 20 HA LEU 20 -2.337 -0.255 10.492 841 HB2 LEU 20 HB2 LEU 20 -1.458 0.063 8.163 842 HB3 LEU 20 HB3 LEU 20 -2.348 -1.383 7.669 843 HG LEU 20 HG LEU 20 -3.379 0.530 6.874 844 HD11 LEU 20 HD11 LEU 20 -5.142 -0.244 9.178 845 HD12 LEU 20 HD12 LEU 20 -4.767 -1.291 7.787 846 HD13 LEU 20 HD13 LEU 20 -5.585 0.257 7.521 847 HD21 LEU 20 HD21 LEU 20 -3.663 1.630 9.696 848 HD22 LEU 20 HD22 LEU 20 -4.209 2.392 8.183 849 HD23 LEU 20 HD23 LEU 20 -2.477 2.177 8.494 850 H ASP 21 H ASP 21 -3.683 -1.204 11.822 851 HA ASP 21 HA ASP 21 -4.977 -3.791 11.315 852 HB2 ASP 21 HB2 ASP 21 -6.173 -3.180 13.475 853 HB3 ASP 21 HB3 ASP 21 -4.494 -3.613 13.541 854 H LEU 22 H LEU 22 -6.812 -4.080 10.582 855 HA LEU 22 HA LEU 22 -8.214 -1.861 9.291 856 HB2 LEU 22 HB2 LEU 22 -7.466 -4.571 8.744 857 HB3 LEU 22 HB3 LEU 22 -9.220 -4.515 8.635 858 HG LEU 22 HG LEU 22 -9.092 -2.851 6.853 859 HD11 LEU 22 HD11 LEU 22 -6.700 -2.366 5.968 860 HD12 LEU 22 HD12 LEU 22 -6.146 -2.931 7.566 861 HD13 LEU 22 HD13 LEU 22 -7.196 -1.496 7.427 862 HD21 LEU 22 HD21 LEU 22 -8.712 -5.295 6.381 863 HD22 LEU 22 HD22 LEU 22 -6.949 -5.002 6.502 864 HD23 LEU 22 HD23 LEU 22 -7.895 -4.226 5.214 865 H ASN 23 H ASN 23 -8.911 -3.199 12.267 866 HA ASN 23 HA ASN 23 -11.835 -2.736 12.001 867 HB2 ASN 23 HB2 ASN 23 -10.709 -5.471 12.818 868 HB3 ASN 23 HB3 ASN 23 -12.395 -5.006 12.800 869 HD21 ASN 23 HD21 ASN 23 -9.656 -5.990 10.927 870 HD22 ASN 23 HD22 ASN 23 -10.569 -6.373 9.467 871 H THR 24 H THR 24 -10.025 -4.642 14.345 872 HA THR 24 HA THR 24 -10.300 -2.747 16.572 873 HB THR 24 HB THR 24 -12.534 -3.805 16.021 874 HG1 THR 24 HG1 THR 24 -13.040 -4.185 18.137 875 HG21 THR 24 HG21 THR 24 -12.995 -6.073 16.592 876 HG22 THR 24 HG22 THR 24 -11.362 -6.327 17.245 877 HG23 THR 24 HG23 THR 24 -11.595 -6.097 15.501 878 HA PRO 25 HA PRO 25 -8.514 -7.230 17.094 879 HB2 PRO 25 HB2 PRO 25 -5.868 -7.498 16.218 880 HB3 PRO 25 HB3 PRO 25 -7.336 -7.900 15.279 881 HG2 PRO 25 HG2 PRO 25 -5.743 -5.321 15.240 882 HG3 PRO 25 HG3 PRO 25 -6.366 -6.288 13.851 883 HD2 PRO 25 HD2 PRO 25 -7.739 -4.144 14.672 884 HD3 PRO 25 HD3 PRO 25 -8.570 -5.682 14.271 885 H VAL 26 H VAL 26 -7.457 -8.194 18.755 886 HA VAL 26 HA VAL 26 -5.641 -6.697 20.522 887 HB VAL 26 HB VAL 26 -7.967 -5.731 20.767 888 HG11 VAL 26 HG11 VAL 26 -9.674 -6.914 21.991 889 HG12 VAL 26 HG12 VAL 26 -8.677 -8.372 22.108 890 HG13 VAL 26 HG13 VAL 26 -9.283 -7.822 20.530 891 HG21 VAL 26 HG21 VAL 26 -6.280 -5.512 22.546 892 HG22 VAL 26 HG22 VAL 26 -6.949 -6.956 23.343 893 HG23 VAL 26 HG23 VAL 26 -7.952 -5.533 23.130 894 H ASP 27 H ASP 27 -5.257 -7.954 22.604 895 HA ASP 27 HA ASP 27 -5.603 -10.896 22.242 896 HB2 ASP 27 HB2 ASP 27 -3.176 -9.304 23.129 897 HB3 ASP 27 HB3 ASP 27 -3.348 -11.029 23.428 898 H LYS 28 H LYS 28 -7.141 -8.801 23.781 899 HA LYS 28 HA LYS 28 -7.690 -10.440 26.157 900 HB2 LYS 28 HB2 LYS 28 -5.959 -8.855 26.928 901 HB3 LYS 28 HB3 LYS 28 -6.935 -7.490 26.375 902 HG2 LYS 28 HG2 LYS 28 -8.697 -8.092 28.032 903 HG3 LYS 28 HG3 LYS 28 -7.762 -9.515 28.506 904 HD2 LYS 28 HD2 LYS 28 -7.418 -7.818 30.170 905 HD3 LYS 28 HD3 LYS 28 -5.907 -8.002 29.269 906 HE2 LYS 28 HE2 LYS 28 -6.501 -5.992 27.906 907 HE3 LYS 28 HE3 LYS 28 -7.995 -5.818 28.841 908 HZ1 LYS 28 HZ1 LYS 28 -6.643 -5.494 30.830 909 HZ2 LYS 28 HZ2 LYS 28 -6.306 -4.376 29.714 910 HZ3 LYS 28 HZ3 LYS 28 -5.240 -5.615 29.964 911 HN1 NH2 29 HN1 NH2 29 -9.862 -10.807 25.849 912 HN2 NH2 29 HN2 NH2 29 -11.003 -9.547 25.466 Start of MODEL 25 1 H1 ASN 31 H1 ASN 31 13.076 5.793 -5.517 2 H2 ASN 31 H2 ASN 31 13.880 4.447 -6.052 3 H3 ASN 31 H3 ASN 31 14.534 5.416 -4.898 4 HA ASN 31 HA ASN 31 13.735 3.420 -3.909 5 HB2 ASN 31 HB2 ASN 31 12.120 5.886 -3.144 6 HB3 ASN 31 HB3 ASN 31 12.076 4.360 -2.265 7 HD21 ASN 31 HD21 ASN 31 12.935 5.635 -0.362 8 HD22 ASN 31 HD22 ASN 31 14.673 5.889 -0.306 9 H SER 32 H SER 32 10.611 5.099 -4.719 10 HA SER 32 HA SER 32 9.604 2.524 -5.814 11 HB2 SER 32 HB2 SER 32 8.325 3.938 -3.449 12 HB3 SER 32 HB3 SER 32 7.796 2.428 -4.211 13 HG SER 32 HG SER 32 9.802 1.482 -3.511 14 H GLY 33 H GLY 33 9.955 5.408 -6.848 15 HA2 GLY 33 HA2 GLY 33 8.979 6.467 -8.613 16 HA3 GLY 33 HA3 GLY 33 7.694 5.278 -8.607 17 H LEU 34 H LEU 34 7.126 7.757 -9.372 18 HA LEU 34 HA LEU 34 5.431 8.906 -7.191 19 HB2 LEU 34 HB2 LEU 34 7.274 10.318 -9.118 20 HB3 LEU 34 HB3 LEU 34 5.930 11.162 -8.359 21 HG LEU 34 HG LEU 34 8.102 9.783 -6.740 22 HD11 LEU 34 HD11 LEU 34 9.043 12.040 -6.420 23 HD12 LEU 34 HD12 LEU 34 7.836 12.715 -7.537 24 HD13 LEU 34 HD13 LEU 34 9.073 11.587 -8.129 25 HD21 LEU 34 HD21 LEU 34 7.276 11.295 -4.955 26 HD22 LEU 34 HD22 LEU 34 6.009 10.189 -5.504 27 HD23 LEU 34 HD23 LEU 34 6.007 11.884 -6.049 28 HA PRO 35 HA PRO 35 2.636 8.130 -10.792 29 HB2 PRO 35 HB2 PRO 35 0.760 6.657 -9.513 30 HB3 PRO 35 HB3 PRO 35 2.348 5.958 -9.930 31 HG2 PRO 35 HG2 PRO 35 1.424 7.035 -7.255 32 HG3 PRO 35 HG3 PRO 35 2.355 5.545 -7.603 33 HD2 PRO 35 HD2 PRO 35 3.448 8.014 -6.833 34 HD3 PRO 35 HD3 PRO 35 4.356 6.721 -7.647 35 H THR 36 H THR 36 0.287 8.767 -11.022 36 HA THR 36 HA THR 36 -0.904 10.284 -8.759 37 HB THR 36 HB THR 36 0.166 11.929 -10.203 38 HG1 THR 36 HG1 THR 36 -2.646 11.951 -10.213 39 HG21 THR 36 HG21 THR 36 -0.820 12.521 -12.382 40 HG22 THR 36 HG22 THR 36 -1.873 11.093 -12.318 41 HG23 THR 36 HG23 THR 36 -0.109 10.902 -12.435 42 H THR 37 H THR 37 -1.327 7.763 -10.861 43 HA THR 37 HA THR 37 -4.228 7.717 -10.244 44 HB THR 37 HB THR 37 -4.567 6.465 -12.392 45 HG1 THR 37 HG1 THR 37 -3.028 6.374 -13.870 46 HG21 THR 37 HG21 THR 37 -5.182 8.859 -12.265 47 HG22 THR 37 HG22 THR 37 -4.627 8.396 -13.883 48 HG23 THR 37 HG23 THR 37 -3.547 9.304 -12.804 49 H LEU 38 H LEU 38 -5.008 5.743 -9.568 50 HA LEU 38 HA LEU 38 -3.111 3.814 -8.630 51 HB2 LEU 38 HB2 LEU 38 -6.118 3.727 -8.902 52 HB3 LEU 38 HB3 LEU 38 -5.210 2.341 -8.320 53 HG LEU 38 HG LEU 38 -5.180 5.097 -7.021 54 HD11 LEU 38 HD11 LEU 38 -6.474 2.498 -6.143 55 HD12 LEU 38 HD12 LEU 38 -7.352 3.887 -6.792 56 HD13 LEU 38 HD13 LEU 38 -6.499 4.031 -5.249 57 HD21 LEU 38 HD21 LEU 38 -3.088 3.897 -6.536 58 HD22 LEU 38 HD22 LEU 38 -3.978 2.414 -6.184 59 HD23 LEU 38 HD23 LEU 38 -4.125 3.819 -5.108 60 H GLY 39 H GLY 39 -4.767 3.867 -11.784 61 HA2 GLY 39 HA2 GLY 39 -4.212 1.307 -12.680 62 HA3 GLY 39 HA3 GLY 39 -4.038 2.745 -13.699 63 H LYS 40 H LYS 40 -1.756 3.850 -12.229 64 HA LYS 40 HA LYS 40 0.359 2.065 -13.312 65 HB2 LYS 40 HB2 LYS 40 0.547 4.899 -12.216 66 HB3 LYS 40 HB3 LYS 40 1.858 3.964 -12.957 67 HG2 LYS 40 HG2 LYS 40 0.338 3.753 -15.036 68 HG3 LYS 40 HG3 LYS 40 -0.676 4.991 -14.297 69 HD2 LYS 40 HD2 LYS 40 1.279 6.540 -14.254 70 HD3 LYS 40 HD3 LYS 40 2.271 5.333 -15.051 71 HE2 LYS 40 HE2 LYS 40 -0.364 6.271 -16.256 72 HE3 LYS 40 HE3 LYS 40 1.110 7.218 -16.476 73 HZ1 LYS 40 HZ1 LYS 40 2.126 5.460 -17.648 74 HZ2 LYS 40 HZ2 LYS 40 0.613 5.527 -18.282 75 HZ3 LYS 40 HZ3 LYS 40 1.047 4.349 -17.194 76 H LEU 41 H LEU 41 -0.579 3.504 -10.162 77 HA LEU 41 HA LEU 41 1.634 2.356 -8.733 78 HB2 LEU 41 HB2 LEU 41 0.432 4.313 -7.868 79 HB3 LEU 41 HB3 LEU 41 -1.050 3.374 -7.726 80 HG LEU 41 HG LEU 41 -0.031 1.932 -6.003 81 HD11 LEU 41 HD11 LEU 41 2.099 2.451 -4.976 82 HD12 LEU 41 HD12 LEU 41 2.396 3.769 -6.124 83 HD13 LEU 41 HD13 LEU 41 2.375 2.071 -6.669 84 HD21 LEU 41 HD21 LEU 41 -1.195 3.907 -5.226 85 HD22 LEU 41 HD22 LEU 41 0.299 4.870 -5.356 86 HD23 LEU 41 HD23 LEU 41 0.184 3.532 -4.183 87 H ASP 42 H ASP 42 -1.780 1.196 -9.025 88 HA ASP 42 HA ASP 42 -1.451 -0.980 -7.145 89 HB2 ASP 42 HB2 ASP 42 -3.616 0.121 -7.938 90 HB3 ASP 42 HB3 ASP 42 -3.435 -0.758 -9.451 91 H GLU 43 H GLU 43 -1.144 -0.747 -10.675 92 HA GLU 43 HA GLU 43 -0.530 -3.472 -11.229 93 HB2 GLU 43 HB2 GLU 43 -1.121 -1.764 -12.895 94 HB3 GLU 43 HB3 GLU 43 0.405 -0.921 -12.611 95 HG2 GLU 43 HG2 GLU 43 1.653 -2.938 -13.385 96 HG3 GLU 43 HG3 GLU 43 0.126 -3.775 -13.635 97 H ARG 44 H ARG 44 1.585 -0.794 -10.108 98 HA ARG 44 HA ARG 44 4.010 -2.412 -10.126 99 HB2 ARG 44 HB2 ARG 44 3.211 0.301 -9.005 100 HB3 ARG 44 HB3 ARG 44 4.630 -0.512 -8.382 101 HG2 ARG 44 HG2 ARG 44 5.329 -0.813 -10.871 102 HG3 ARG 44 HG3 ARG 44 4.087 0.397 -11.220 103 HD2 ARG 44 HD2 ARG 44 6.544 0.728 -9.454 104 HD3 ARG 44 HD3 ARG 44 6.361 1.321 -11.092 105 HE ARG 44 HE ARG 44 4.906 3.018 -10.406 106 HH11 ARG 44 HH11 ARG 44 6.020 1.200 -7.589 107 HH12 ARG 44 HH12 ARG 44 5.988 2.632 -6.605 108 HH21 ARG 44 HH21 ARG 44 4.957 4.756 -8.988 109 HH22 ARG 44 HH22 ARG 44 5.374 4.468 -7.298 110 H LEU 45 H LEU 45 1.747 -1.443 -7.464 111 HA LEU 45 HA LEU 45 3.206 -2.852 -5.457 112 HB2 LEU 45 HB2 LEU 45 0.271 -2.102 -5.640 113 HB3 LEU 45 HB3 LEU 45 1.008 -2.779 -4.190 114 HG LEU 45 HG LEU 45 1.896 -0.165 -5.490 115 HD11 LEU 45 HD11 LEU 45 0.158 -0.751 -3.069 116 HD12 LEU 45 HD12 LEU 45 -0.373 -0.025 -4.597 117 HD13 LEU 45 HD13 LEU 45 0.746 0.858 -3.535 118 HD21 LEU 45 HD21 LEU 45 3.725 -1.155 -4.195 119 HD22 LEU 45 HD22 LEU 45 2.625 -1.441 -2.821 120 HD23 LEU 45 HD23 LEU 45 3.036 0.212 -3.316 121 H ARG 46 H ARG 46 0.616 -3.982 -7.548 122 HA ARG 46 HA ARG 46 0.205 -6.604 -6.462 123 HB2 ARG 46 HB2 ARG 46 -1.282 -5.207 -7.885 124 HB3 ARG 46 HB3 ARG 46 -0.200 -5.454 -9.260 125 HG2 ARG 46 HG2 ARG 46 -0.730 -7.866 -9.221 126 HG3 ARG 46 HG3 ARG 46 -1.784 -7.624 -7.812 127 HD2 ARG 46 HD2 ARG 46 -2.127 -6.252 -10.523 128 HD3 ARG 46 HD3 ARG 46 -3.005 -7.681 -10.021 129 HE ARG 46 HE ARG 46 -3.282 -4.909 -8.864 130 HH11 ARG 46 HH11 ARG 46 -4.682 -8.159 -9.017 131 HH12 ARG 46 HH12 ARG 46 -6.158 -7.600 -8.269 132 HH21 ARG 46 HH21 ARG 46 -5.012 -4.352 -7.894 133 HH22 ARG 46 HH22 ARG 46 -6.329 -5.500 -7.539 134 H ASN 47 H ASN 47 2.521 -5.344 -8.825 135 HA ASN 47 HA ASN 47 3.841 -7.962 -9.242 136 HB2 ASN 47 HB2 ASN 47 4.340 -5.094 -10.100 137 HB3 ASN 47 HB3 ASN 47 5.642 -6.258 -10.151 138 HD21 ASN 47 HD21 ASN 47 3.156 -4.976 -11.981 139 HD22 ASN 47 HD22 ASN 47 3.155 -6.258 -13.217 140 H TYR 48 H TYR 48 4.412 -5.062 -7.170 141 HA TYR 48 HA TYR 48 6.952 -5.724 -6.348 142 HB2 TYR 48 HB2 TYR 48 4.799 -4.149 -4.971 143 HB3 TYR 48 HB3 TYR 48 6.292 -4.451 -4.233 144 HD1 TYR 48 HD1 TYR 48 6.261 -3.576 -7.873 145 HD2 TYR 48 HD2 TYR 48 6.900 -2.257 -3.837 146 HE1 TYR 48 HE1 TYR 48 7.225 -1.465 -8.710 147 HE2 TYR 48 HE2 TYR 48 7.876 -0.139 -4.665 148 HH TYR 48 HH TYR 48 8.515 0.384 -8.107 149 H LEU 49 H LEU 49 3.919 -6.814 -4.837 150 HA LEU 49 HA LEU 49 5.104 -8.003 -2.571 151 HB2 LEU 49 HB2 LEU 49 2.533 -7.745 -3.682 152 HB3 LEU 49 HB3 LEU 49 2.792 -9.467 -3.784 153 HG LEU 49 HG LEU 49 2.792 -7.678 -1.347 154 HD11 LEU 49 HD11 LEU 49 1.115 -10.111 -2.076 155 HD12 LEU 49 HD12 LEU 49 0.602 -8.415 -2.223 156 HD13 LEU 49 HD13 LEU 49 0.937 -9.109 -0.620 157 HD21 LEU 49 HD21 LEU 49 3.505 -10.619 -1.342 158 HD22 LEU 49 HD22 LEU 49 3.176 -9.600 0.090 159 HD23 LEU 49 HD23 LEU 49 4.553 -9.248 -0.927 160 H LYS 50 H LYS 50 4.711 -9.456 -5.787 161 HA LYS 50 HA LYS 50 5.769 -12.072 -5.058 162 HB2 LYS 50 HB2 LYS 50 5.520 -10.688 -7.751 163 HB3 LYS 50 HB3 LYS 50 5.922 -12.393 -7.480 164 HG2 LYS 50 HG2 LYS 50 3.754 -12.832 -6.490 165 HG3 LYS 50 HG3 LYS 50 3.291 -11.127 -6.578 166 HD2 LYS 50 HD2 LYS 50 3.953 -12.833 -9.015 167 HD3 LYS 50 HD3 LYS 50 2.317 -12.589 -8.377 168 HE2 LYS 50 HE2 LYS 50 2.442 -10.190 -8.735 169 HE3 LYS 50 HE3 LYS 50 4.128 -10.309 -9.268 170 HZ1 LYS 50 HZ1 LYS 50 1.911 -11.684 -10.682 171 HZ2 LYS 50 HZ2 LYS 50 3.456 -11.472 -11.206 172 HZ3 LYS 50 HZ3 LYS 50 2.437 -10.183 -11.080 173 H LYS 51 H LYS 51 7.214 -9.250 -6.710 174 HA LYS 51 HA LYS 51 9.936 -10.304 -6.739 175 HB2 LYS 51 HB2 LYS 51 8.665 -7.627 -7.189 176 HB3 LYS 51 HB3 LYS 51 10.431 -7.796 -7.114 177 HG2 LYS 51 HG2 LYS 51 10.105 -9.643 -8.914 178 HG3 LYS 51 HG3 LYS 51 8.470 -8.980 -9.087 179 HD2 LYS 51 HD2 LYS 51 9.701 -7.843 -10.731 180 HD3 LYS 51 HD3 LYS 51 9.660 -6.693 -9.377 181 HE2 LYS 51 HE2 LYS 51 11.897 -7.325 -8.692 182 HE3 LYS 51 HE3 LYS 51 11.959 -8.635 -9.883 183 HZ1 LYS 51 HZ1 LYS 51 11.662 -5.777 -10.603 184 HZ2 LYS 51 HZ2 LYS 51 13.118 -6.554 -10.597 185 HZ3 LYS 51 HZ3 LYS 51 11.926 -7.043 -11.636 186 H GLY 52 H GLY 52 8.107 -8.827 -4.190 187 HA2 GLY 52 HA2 GLY 52 10.501 -7.876 -2.828 188 HA3 GLY 52 HA3 GLY 52 8.819 -7.545 -2.449 189 H THR 53 H THR 53 8.115 -10.534 -2.413 190 HA THR 53 HA THR 53 9.274 -11.222 0.249 191 HB THR 53 HB THR 53 7.251 -12.376 0.698 192 HG1 THR 53 HG1 THR 53 6.248 -11.497 -1.832 193 HG21 THR 53 HG21 THR 53 5.602 -10.600 0.730 194 HG22 THR 53 HG22 THR 53 6.590 -9.661 -0.426 195 HG23 THR 53 HG23 THR 53 7.204 -10.029 1.184 196 H LYS 54 H LYS 54 9.272 -13.554 0.801 197 HA LYS 54 HA LYS 54 10.459 -15.155 -1.317 198 HB2 LYS 54 HB2 LYS 54 9.808 -15.933 1.545 199 HB3 LYS 54 HB3 LYS 54 10.857 -16.806 0.430 200 HG2 LYS 54 HG2 LYS 54 12.412 -14.907 0.304 201 HG3 LYS 54 HG3 LYS 54 11.395 -13.938 1.362 202 HD2 LYS 54 HD2 LYS 54 12.822 -16.489 2.136 203 HD3 LYS 54 HD3 LYS 54 13.323 -14.843 2.540 204 HE2 LYS 54 HE2 LYS 54 10.721 -16.125 3.475 205 HE3 LYS 54 HE3 LYS 54 12.215 -16.072 4.415 206 HZ1 LYS 54 HZ1 LYS 54 10.766 -14.240 5.028 207 HZ2 LYS 54 HZ2 LYS 54 10.714 -13.679 3.482 208 HZ3 LYS 54 HZ3 LYS 54 12.112 -13.628 4.309 209 H ASN 55 H ASN 55 7.282 -15.075 0.273 210 HA ASN 55 HA ASN 55 6.225 -16.466 -2.075 211 HB2 ASN 55 HB2 ASN 55 6.432 -18.358 -0.497 212 HB3 ASN 55 HB3 ASN 55 5.732 -17.383 0.796 213 HD21 ASN 55 HD21 ASN 55 3.972 -18.807 1.213 214 HD22 ASN 55 HD22 ASN 55 2.627 -18.892 0.087 215 H SER 56 H SER 56 4.866 -15.071 -2.888 216 HA SER 56 HA SER 56 3.475 -13.094 -1.277 217 HB2 SER 56 HB2 SER 56 4.492 -12.664 -3.462 218 HB3 SER 56 HB3 SER 56 3.304 -13.719 -4.242 219 HG SER 56 HG SER 56 1.872 -12.167 -4.089 220 H ALA 57 H ALA 57 2.603 -16.305 -2.457 221 HA ALA 57 HA ALA 57 -0.171 -15.883 -2.816 222 HB1 ALA 57 HB1 ALA 57 -0.330 -18.329 -2.820 223 HB2 ALA 57 HB2 ALA 57 1.285 -18.458 -2.099 224 HB3 ALA 57 HB3 ALA 57 1.083 -17.794 -3.742 225 H GLN 58 H GLN 58 1.435 -15.901 0.221 226 HA GLN 58 HA GLN 58 -0.812 -16.941 1.760 227 HB2 GLN 58 HB2 GLN 58 0.461 -16.240 3.691 228 HB3 GLN 58 HB3 GLN 58 1.466 -17.181 2.590 229 HG2 GLN 58 HG2 GLN 58 2.510 -15.089 1.750 230 HG3 GLN 58 HG3 GLN 58 1.533 -14.135 2.835 231 HE21 GLN 58 HE21 GLN 58 4.601 -14.665 2.655 232 HE22 GLN 58 HE22 GLN 58 4.954 -15.052 4.334 233 H PHE 59 H PHE 59 0.036 -13.833 0.374 234 HA PHE 59 HA PHE 59 -1.611 -12.282 2.239 235 HB2 PHE 59 HB2 PHE 59 -0.171 -11.460 -0.283 236 HB3 PHE 59 HB3 PHE 59 -0.926 -10.383 0.885 237 HD1 PHE 59 HD1 PHE 59 0.025 -10.229 3.262 238 HD2 PHE 59 HD2 PHE 59 2.034 -12.335 0.099 239 HE1 PHE 59 HE1 PHE 59 2.142 -10.179 4.553 240 HE2 PHE 59 HE2 PHE 59 4.131 -12.340 1.411 241 HZ PHE 59 HZ PHE 59 4.192 -11.220 3.623 242 H GLU 60 H GLU 60 -3.602 -11.388 1.860 243 HA GLU 60 HA GLU 60 -5.057 -12.308 -0.611 244 HB2 GLU 60 HB2 GLU 60 -6.899 -12.938 0.591 245 HB3 GLU 60 HB3 GLU 60 -5.560 -13.556 1.571 246 HG2 GLU 60 HG2 GLU 60 -5.778 -11.569 3.058 247 HG3 GLU 60 HG3 GLU 60 -7.164 -11.020 2.108 248 H LYS 61 H LYS 61 -4.374 -9.668 1.545 249 HA LYS 61 HA LYS 61 -5.506 -7.883 -0.466 250 HB2 LYS 61 HB2 LYS 61 -6.963 -6.632 0.889 251 HB3 LYS 61 HB3 LYS 61 -7.397 -8.311 1.133 252 HG2 LYS 61 HG2 LYS 61 -6.354 -8.300 3.356 253 HG3 LYS 61 HG3 LYS 61 -5.711 -6.671 3.080 254 HD2 LYS 61 HD2 LYS 61 -7.858 -5.688 3.023 255 HD3 LYS 61 HD3 LYS 61 -8.672 -7.232 2.852 256 HE2 LYS 61 HE2 LYS 61 -7.070 -6.373 5.292 257 HE3 LYS 61 HE3 LYS 61 -8.814 -6.165 5.133 258 HZ1 LYS 61 HZ1 LYS 61 -7.430 -8.807 5.209 259 HZ2 LYS 61 HZ2 LYS 61 -9.061 -8.581 5.051 260 HZ3 LYS 61 HZ3 LYS 61 -8.291 -8.111 6.399 261 H MET 62 H MET 62 -5.173 -5.638 0.058 262 HA MET 62 HA MET 62 -2.747 -4.971 1.610 263 HB2 MET 62 HB2 MET 62 -1.618 -3.921 -0.218 264 HB3 MET 62 HB3 MET 62 -1.991 -5.585 -0.681 265 HG2 MET 62 HG2 MET 62 -3.847 -4.837 -2.074 266 HG3 MET 62 HG3 MET 62 -3.572 -3.157 -1.588 267 HE1 MET 62 HE1 MET 62 -3.761 -4.153 -4.658 268 HE2 MET 62 HE2 MET 62 -2.452 -3.183 -5.366 269 HE3 MET 62 HE3 MET 62 -3.541 -2.458 -4.164 270 H VAL 63 H VAL 63 -2.500 -2.731 2.042 271 HA VAL 63 HA VAL 63 -4.752 -0.937 1.350 272 HB VAL 63 HB VAL 63 -5.227 -2.013 3.564 273 HG11 VAL 63 HG11 VAL 63 -3.947 -1.866 5.385 274 HG12 VAL 63 HG12 VAL 63 -3.046 -0.411 4.839 275 HG13 VAL 63 HG13 VAL 63 -2.692 -1.993 4.154 276 HG21 VAL 63 HG21 VAL 63 -4.653 0.967 3.822 277 HG22 VAL 63 HG22 VAL 63 -5.825 -0.012 4.735 278 HG23 VAL 63 HG23 VAL 63 -6.069 0.285 3.003 279 H ILE 64 H ILE 64 -4.148 1.093 0.951 280 HA ILE 64 HA ILE 64 -1.218 1.732 1.025 281 HB ILE 64 HB ILE 64 -3.338 2.566 -0.980 282 HG12 ILE 64 HG12 ILE 64 -1.116 0.588 -1.569 283 HG13 ILE 64 HG13 ILE 64 -2.692 0.035 -1.016 284 HG21 ILE 64 HG21 ILE 64 -0.299 2.851 -1.057 285 HG22 ILE 64 HG22 ILE 64 -1.460 4.171 -0.794 286 HG23 ILE 64 HG23 ILE 64 -1.413 3.343 -2.344 287 HD11 ILE 64 HD11 ILE 64 -3.794 1.158 -2.912 288 HD12 ILE 64 HD12 ILE 64 -2.654 -0.113 -3.390 289 HD13 ILE 64 HD13 ILE 64 -2.193 1.594 -3.567 290 H LEU 65 H LEU 65 -0.652 3.561 2.017 291 HA LEU 65 HA LEU 65 -2.745 5.567 2.777 292 HB2 LEU 65 HB2 LEU 65 -0.210 4.697 4.227 293 HB3 LEU 65 HB3 LEU 65 -1.119 6.143 4.624 294 HG LEU 65 HG LEU 65 -2.027 3.255 4.907 295 HD11 LEU 65 HD11 LEU 65 -1.910 5.469 6.990 296 HD12 LEU 65 HD12 LEU 65 -0.540 4.414 6.660 297 HD13 LEU 65 HD13 LEU 65 -2.066 3.717 7.248 298 HD21 LEU 65 HD21 LEU 65 -3.662 5.799 5.288 299 HD22 LEU 65 HD22 LEU 65 -4.096 4.224 5.970 300 HD23 LEU 65 HD23 LEU 65 -4.031 4.430 4.210 301 H THR 66 H THR 66 -2.544 7.452 1.848 302 HA THR 66 HA THR 66 0.116 8.245 0.733 303 HB THR 66 HB THR 66 -0.954 9.457 -1.009 304 HG1 THR 66 HG1 THR 66 -2.808 10.150 0.001 305 HG21 THR 66 HG21 THR 66 -0.639 7.029 -1.434 306 HG22 THR 66 HG22 THR 66 -1.982 7.737 -2.350 307 HG23 THR 66 HG23 THR 66 -2.318 6.744 -0.916 308 H GLU 67 H GLU 67 0.452 10.618 0.531 309 HA GLU 67 HA GLU 67 -0.290 12.140 2.805 310 HB2 GLU 67 HB2 GLU 67 0.205 13.286 0.035 311 HB3 GLU 67 HB3 GLU 67 0.309 14.124 1.578 312 HG2 GLU 67 HG2 GLU 67 2.168 12.459 2.196 313 HG3 GLU 67 HG3 GLU 67 2.149 11.964 0.503 314 H ASN 68 H ASN 68 -1.703 14.100 2.808 315 HA ASN 68 HA ASN 68 -3.789 15.030 2.763 316 HB2 ASN 68 HB2 ASN 68 -3.797 14.094 -0.109 317 HB3 ASN 68 HB3 ASN 68 -4.788 15.369 0.543 318 HD21 ASN 68 HD21 ASN 68 -2.395 15.174 -1.493 319 HD22 ASN 68 HD22 ASN 68 -1.342 16.486 -0.935 320 H LYS 69 H LYS 69 -3.604 12.425 3.800 321 HA LYS 69 HA LYS 69 -4.917 11.036 4.963 322 HB2 LYS 69 HB2 LYS 69 -7.351 12.543 4.003 323 HB3 LYS 69 HB3 LYS 69 -7.192 11.562 5.452 324 HG2 LYS 69 HG2 LYS 69 -5.608 13.186 6.405 325 HG3 LYS 69 HG3 LYS 69 -5.756 14.209 4.973 326 HD2 LYS 69 HD2 LYS 69 -7.925 13.565 7.000 327 HD3 LYS 69 HD3 LYS 69 -7.074 15.096 6.753 328 HE2 LYS 69 HE2 LYS 69 -8.062 15.148 4.401 329 HE3 LYS 69 HE3 LYS 69 -9.083 13.788 4.868 330 HZ1 LYS 69 HZ1 LYS 69 -9.002 16.380 6.312 331 HZ2 LYS 69 HZ2 LYS 69 -10.108 15.164 6.542 332 HZ3 LYS 69 HZ3 LYS 69 -10.093 16.032 5.148 333 H GLY 70 H GLY 70 -4.571 10.606 1.865 334 HA2 GLY 70 HA2 GLY 70 -6.813 9.034 1.057 335 HA3 GLY 70 HA3 GLY 70 -5.207 8.930 0.358 336 H TYR 71 H TYR 71 -7.374 7.010 1.272 337 HA TYR 71 HA TYR 71 -5.642 4.918 2.483 338 HB2 TYR 71 HB2 TYR 71 -6.714 5.780 4.418 339 HB3 TYR 71 HB3 TYR 71 -8.242 5.992 3.587 340 HD1 TYR 71 HD1 TYR 71 -9.800 4.170 3.234 341 HD2 TYR 71 HD2 TYR 71 -6.105 3.527 5.381 342 HE1 TYR 71 HE1 TYR 71 -10.694 2.031 4.136 343 HE2 TYR 71 HE2 TYR 71 -7.034 1.430 6.316 344 HH TYR 71 HH TYR 71 -10.349 0.306 5.580 345 H TYR 72 H TYR 72 -5.641 3.442 0.887 346 HA TYR 72 HA TYR 72 -8.191 2.837 -0.601 347 HB2 TYR 72 HB2 TYR 72 -5.393 2.822 -1.739 348 HB3 TYR 72 HB3 TYR 72 -6.893 2.575 -2.596 349 HD1 TYR 72 HD1 TYR 72 -8.358 4.498 -3.166 350 HD2 TYR 72 HD2 TYR 72 -4.616 5.069 -1.102 351 HE1 TYR 72 HE1 TYR 72 -8.376 6.897 -3.809 352 HE2 TYR 72 HE2 TYR 72 -4.644 7.484 -1.740 353 HH TYR 72 HH TYR 72 -7.292 8.915 -3.689 354 H THR 73 H THR 73 -8.861 0.775 -0.174 355 HA THR 73 HA THR 73 -6.789 -1.274 0.519 356 HB THR 73 HB THR 73 -8.065 -0.435 2.452 357 HG1 THR 73 HG1 THR 73 -8.235 -2.413 3.276 358 HG21 THR 73 HG21 THR 73 -10.434 -1.978 1.340 359 HG22 THR 73 HG22 THR 73 -10.331 -0.203 1.393 360 HG23 THR 73 HG23 THR 73 -10.308 -1.136 2.896 361 H VAL 74 H VAL 74 -6.812 -3.230 -0.359 362 HA VAL 74 HA VAL 74 -8.809 -3.788 -2.528 363 HB VAL 74 HB VAL 74 -5.779 -3.628 -2.869 364 HG11 VAL 74 HG11 VAL 74 -6.807 -5.248 -4.401 365 HG12 VAL 74 HG12 VAL 74 -6.319 -3.809 -5.290 366 HG13 VAL 74 HG13 VAL 74 -8.032 -4.045 -4.883 367 HG21 VAL 74 HG21 VAL 74 -6.563 -1.354 -2.654 368 HG22 VAL 74 HG22 VAL 74 -7.944 -1.686 -3.738 369 HG23 VAL 74 HG23 VAL 74 -6.274 -1.704 -4.352 370 H TYR 75 H TYR 75 -9.379 -5.881 -2.534 371 HA TYR 75 HA TYR 75 -7.664 -7.921 -1.247 372 HB2 TYR 75 HB2 TYR 75 -10.381 -8.033 -2.553 373 HB3 TYR 75 HB3 TYR 75 -9.470 -9.474 -2.134 374 HD1 TYR 75 HD1 TYR 75 -11.243 -6.519 -0.768 375 HD2 TYR 75 HD2 TYR 75 -9.132 -10.165 0.182 376 HE1 TYR 75 HE1 TYR 75 -12.139 -6.443 1.553 377 HE2 TYR 75 HE2 TYR 75 -10.037 -10.086 2.494 378 HH TYR 75 HH TYR 75 -11.278 -8.917 4.001 379 H LEU 76 H LEU 76 -6.302 -9.149 -2.232 380 HA LEU 76 HA LEU 76 -5.553 -8.736 -5.038 381 HB2 LEU 76 HB2 LEU 76 -4.470 -10.493 -2.796 382 HB3 LEU 76 HB3 LEU 76 -3.694 -10.314 -4.365 383 HG LEU 76 HG LEU 76 -4.221 -7.922 -2.536 384 HD11 LEU 76 HD11 LEU 76 -1.908 -8.069 -1.827 385 HD12 LEU 76 HD12 LEU 76 -1.697 -9.589 -2.734 386 HD13 LEU 76 HD13 LEU 76 -2.803 -9.516 -1.343 387 HD21 LEU 76 HD21 LEU 76 -2.432 -6.874 -3.875 388 HD22 LEU 76 HD22 LEU 76 -3.787 -7.346 -4.902 389 HD23 LEU 76 HD23 LEU 76 -2.309 -8.335 -4.876 390 H ASN 77 H ASN 77 -7.906 -10.601 -3.656 391 HA ASN 77 HA ASN 77 -7.749 -13.087 -5.051 392 HB2 ASN 77 HB2 ASN 77 -10.216 -11.579 -4.092 393 HB3 ASN 77 HB3 ASN 77 -10.116 -13.304 -4.417 394 HD21 ASN 77 HD21 ASN 77 -10.988 -12.018 -2.027 395 HD22 ASN 77 HD22 ASN 77 -9.915 -12.571 -0.742 396 H THR 78 H THR 78 -8.351 -9.975 -6.435 397 HA THR 78 HA THR 78 -9.461 -11.236 -8.863 398 HB THR 78 HB THR 78 -11.129 -9.510 -9.174 399 HG1 THR 78 HG1 THR 78 -11.623 -8.067 -7.601 400 HG21 THR 78 HG21 THR 78 -11.505 -10.717 -6.395 401 HG22 THR 78 HG22 THR 78 -11.799 -11.576 -7.926 402 HG23 THR 78 HG23 THR 78 -12.769 -10.158 -7.500 403 HA PRO 79 HA PRO 79 -6.514 -8.452 -10.853 404 HB2 PRO 79 HB2 PRO 79 -8.520 -8.505 -13.101 405 HB3 PRO 79 HB3 PRO 79 -6.744 -8.724 -13.163 406 HG2 PRO 79 HG2 PRO 79 -8.366 -10.879 -13.313 407 HG3 PRO 79 HG3 PRO 79 -6.910 -10.932 -12.263 408 HD2 PRO 79 HD2 PRO 79 -9.774 -10.424 -11.433 409 HD3 PRO 79 HD3 PRO 79 -8.538 -11.502 -10.710 410 H LEU 80 H LEU 80 -6.309 -6.260 -11.608 411 HA LEU 80 HA LEU 80 -8.008 -4.287 -10.504 412 HB2 LEU 80 HB2 LEU 80 -5.521 -4.231 -11.160 413 HB3 LEU 80 HB3 LEU 80 -6.049 -4.003 -12.822 414 HG LEU 80 HG LEU 80 -7.123 -1.846 -12.176 415 HD11 LEU 80 HD11 LEU 80 -6.083 -2.627 -9.431 416 HD12 LEU 80 HD12 LEU 80 -7.747 -2.234 -9.877 417 HD13 LEU 80 HD13 LEU 80 -6.518 -0.956 -9.852 418 HD21 LEU 80 HD21 LEU 80 -4.245 -2.132 -11.219 419 HD22 LEU 80 HD22 LEU 80 -5.046 -0.610 -11.667 420 HD23 LEU 80 HD23 LEU 80 -4.769 -1.864 -12.891 421 H ALA 81 H ALA 81 -9.300 -2.672 -11.599 422 HA ALA 81 HA ALA 81 -10.600 -3.502 -14.157 423 HB1 ALA 81 HB1 ALA 81 -11.924 -2.607 -11.556 424 HB2 ALA 81 HB2 ALA 81 -11.932 -4.255 -12.222 425 HB3 ALA 81 HB3 ALA 81 -12.766 -2.949 -13.080 426 H GLU 82 H GLU 82 -11.835 -1.774 -15.206 427 HA GLU 82 HA GLU 82 -10.055 0.239 -15.923 428 HB2 GLU 82 HB2 GLU 82 -13.044 0.047 -16.385 429 HB3 GLU 82 HB3 GLU 82 -12.006 1.215 -17.200 430 HG2 GLU 82 HG2 GLU 82 -10.847 -0.405 -18.426 431 HG3 GLU 82 HG3 GLU 82 -11.286 -1.716 -17.335 432 H ASP 83 H ASP 83 -12.686 0.633 -13.522 433 HA ASP 83 HA ASP 83 -12.492 3.525 -13.484 434 HB2 ASP 83 HB2 ASP 83 -13.396 1.589 -11.324 435 HB3 ASP 83 HB3 ASP 83 -13.638 3.338 -11.290 436 H ARG 84 H ARG 84 -10.976 0.936 -11.622 437 HA ARG 84 HA ARG 84 -9.372 2.635 -9.899 438 HB2 ARG 84 HB2 ARG 84 -8.953 -0.300 -10.580 439 HB3 ARG 84 HB3 ARG 84 -8.353 0.595 -9.184 440 HG2 ARG 84 HG2 ARG 84 -10.893 0.995 -8.640 441 HG3 ARG 84 HG3 ARG 84 -11.188 -0.305 -9.797 442 HD2 ARG 84 HD2 ARG 84 -11.150 -1.354 -7.679 443 HD3 ARG 84 HD3 ARG 84 -9.604 -1.750 -8.423 444 HE ARG 84 HE ARG 84 -10.083 0.359 -6.332 445 HH11 ARG 84 HH11 ARG 84 -7.876 -2.156 -7.438 446 HH12 ARG 84 HH12 ARG 84 -6.484 -1.407 -6.702 447 HH21 ARG 84 HH21 ARG 84 -8.382 1.080 -5.156 448 HH22 ARG 84 HH22 ARG 84 -6.798 0.331 -5.350 449 H LYS 85 H LYS 85 -8.985 1.400 -13.140 450 HA LYS 85 HA LYS 85 -6.140 1.927 -13.339 451 HB2 LYS 85 HB2 LYS 85 -8.238 1.730 -15.515 452 HB3 LYS 85 HB3 LYS 85 -6.511 1.945 -15.797 453 HG2 LYS 85 HG2 LYS 85 -6.103 -0.205 -14.498 454 HG3 LYS 85 HG3 LYS 85 -7.859 -0.458 -14.514 455 HD2 LYS 85 HD2 LYS 85 -7.752 -0.175 -17.059 456 HD3 LYS 85 HD3 LYS 85 -5.985 -0.217 -16.890 457 HE2 LYS 85 HE2 LYS 85 -6.164 -2.467 -15.821 458 HE3 LYS 85 HE3 LYS 85 -7.925 -2.419 -16.061 459 HZ1 LYS 85 HZ1 LYS 85 -6.930 -3.601 -17.871 460 HZ2 LYS 85 HZ2 LYS 85 -5.843 -2.403 -18.170 461 HZ3 LYS 85 HZ3 LYS 85 -7.447 -2.160 -18.482 462 H ASN 86 H ASN 86 -8.918 4.013 -13.447 463 HA ASN 86 HA ASN 86 -7.256 6.247 -14.570 464 HB2 ASN 86 HB2 ASN 86 -10.184 5.507 -14.973 465 HB3 ASN 86 HB3 ASN 86 -9.432 6.982 -15.571 466 HD21 ASN 86 HD21 ASN 86 -9.949 3.643 -16.221 467 HD22 ASN 86 HD22 ASN 86 -8.977 3.610 -17.695 468 H VAL 87 H VAL 87 -8.902 5.361 -11.735 469 HA VAL 87 HA VAL 87 -9.750 7.913 -10.784 470 HB VAL 87 HB VAL 87 -10.310 5.688 -9.815 471 HG11 VAL 87 HG11 VAL 87 -7.999 4.734 -9.814 472 HG12 VAL 87 HG12 VAL 87 -8.893 4.548 -8.294 473 HG13 VAL 87 HG13 VAL 87 -7.613 5.779 -8.434 474 HG21 VAL 87 HG21 VAL 87 -10.435 6.419 -7.523 475 HG22 VAL 87 HG22 VAL 87 -10.664 7.829 -8.573 476 HG23 VAL 87 HG23 VAL 87 -9.112 7.578 -7.749 477 H GLU 88 H GLU 88 -8.738 9.521 -9.687 478 HA GLU 88 HA GLU 88 -5.810 9.726 -9.984 479 HB2 GLU 88 HB2 GLU 88 -7.929 11.746 -9.148 480 HB3 GLU 88 HB3 GLU 88 -6.205 12.092 -9.369 481 HG2 GLU 88 HG2 GLU 88 -6.381 11.358 -11.752 482 HG3 GLU 88 HG3 GLU 88 -8.115 11.096 -11.540 483 H LEU 89 H LEU 89 -4.412 10.302 -8.284 484 HA LEU 89 HA LEU 89 -5.119 9.117 -5.667 485 HB2 LEU 89 HB2 LEU 89 -2.551 10.058 -7.013 486 HB3 LEU 89 HB3 LEU 89 -2.579 9.550 -5.337 487 HG LEU 89 HG LEU 89 -3.436 7.761 -7.641 488 HD11 LEU 89 HD11 LEU 89 -1.348 6.583 -7.319 489 HD12 LEU 89 HD12 LEU 89 -0.894 7.655 -5.977 490 HD13 LEU 89 HD13 LEU 89 -0.978 8.284 -7.629 491 HD21 LEU 89 HD21 LEU 89 -3.099 6.002 -5.807 492 HD22 LEU 89 HD22 LEU 89 -4.515 7.031 -5.580 493 HD23 LEU 89 HD23 LEU 89 -3.033 7.316 -4.639 494 H LEU 90 H LEU 90 -5.149 10.139 -3.700 495 HA LEU 90 HA LEU 90 -5.520 12.990 -3.548 496 HB2 LEU 90 HB2 LEU 90 -5.381 10.666 -1.636 497 HB3 LEU 90 HB3 LEU 90 -5.138 12.259 -0.951 498 HG LEU 90 HG LEU 90 -7.543 11.676 -2.715 499 HD11 LEU 90 HD11 LEU 90 -7.320 11.420 0.312 500 HD12 LEU 90 HD12 LEU 90 -7.624 10.101 -0.849 501 HD13 LEU 90 HD13 LEU 90 -8.830 11.374 -0.623 502 HD21 LEU 90 HD21 LEU 90 -6.961 13.777 -0.571 503 HD22 LEU 90 HD22 LEU 90 -8.489 13.599 -1.447 504 HD23 LEU 90 HD23 LEU 90 -7.028 14.070 -2.321 505 H GLY 91 H GLY 91 -2.627 10.992 -3.042 506 HA2 GLY 91 HA2 GLY 91 -0.850 13.281 -3.103 507 HA3 GLY 91 HA3 GLY 91 -1.099 12.660 -1.475 508 H LYS 92 H LYS 92 1.391 12.500 -1.953 509 HA LYS 92 HA LYS 92 2.417 10.418 -3.601 510 HB2 LYS 92 HB2 LYS 92 3.512 12.140 -1.390 511 HB3 LYS 92 HB3 LYS 92 4.416 10.793 -1.994 512 HG2 LYS 92 HG2 LYS 92 5.224 12.633 -3.127 513 HG3 LYS 92 HG3 LYS 92 4.363 11.607 -4.269 514 HD2 LYS 92 HD2 LYS 92 2.548 13.129 -4.463 515 HD3 LYS 92 HD3 LYS 92 3.067 14.064 -3.036 516 HE2 LYS 92 HE2 LYS 92 4.978 14.931 -4.121 517 HE3 LYS 92 HE3 LYS 92 4.925 13.718 -5.399 518 HZ1 LYS 92 HZ1 LYS 92 4.126 15.904 -6.163 519 HZ2 LYS 92 HZ2 LYS 92 2.831 15.801 -5.122 520 HZ3 LYS 92 HZ3 LYS 92 3.044 14.712 -6.351 521 H MET 93 H MET 93 3.317 8.456 -3.124 522 HA MET 93 HA MET 93 1.749 6.631 -1.569 523 HB2 MET 93 HB2 MET 93 2.724 6.146 -3.797 524 HB3 MET 93 HB3 MET 93 4.349 6.266 -3.110 525 HG2 MET 93 HG2 MET 93 3.606 4.248 -1.624 526 HG3 MET 93 HG3 MET 93 2.279 4.094 -2.764 527 HE1 MET 93 HE1 MET 93 5.892 1.774 -3.167 528 HE2 MET 93 HE2 MET 93 4.481 1.848 -2.087 529 HE3 MET 93 HE3 MET 93 5.806 3.026 -1.902 530 H TYR 94 H TYR 94 2.353 7.954 0.569 531 HA TYR 94 HA TYR 94 4.834 7.719 1.789 532 HB2 TYR 94 HB2 TYR 94 3.294 9.127 2.831 533 HB3 TYR 94 HB3 TYR 94 2.047 7.920 2.888 534 HD1 TYR 94 HD1 TYR 94 5.193 9.082 4.482 535 HD2 TYR 94 HD2 TYR 94 1.876 6.335 4.733 536 HE1 TYR 94 HE1 TYR 94 5.886 8.456 6.779 537 HE2 TYR 94 HE2 TYR 94 2.572 5.717 7.045 538 HH TYR 94 HH TYR 94 5.443 7.128 8.614 539 H LYS 95 H LYS 95 2.192 5.240 2.122 540 HA LYS 95 HA LYS 95 4.280 3.193 2.280 541 HB2 LYS 95 HB2 LYS 95 3.773 4.336 4.660 542 HB3 LYS 95 HB3 LYS 95 2.446 3.199 4.693 543 HG2 LYS 95 HG2 LYS 95 3.900 1.338 4.749 544 HG3 LYS 95 HG3 LYS 95 5.238 2.221 4.011 545 HD2 LYS 95 HD2 LYS 95 4.214 2.783 6.804 546 HD3 LYS 95 HD3 LYS 95 5.578 1.718 6.436 547 HE2 LYS 95 HE2 LYS 95 6.713 3.680 5.320 548 HE3 LYS 95 HE3 LYS 95 5.370 4.707 5.835 549 HZ1 LYS 95 HZ1 LYS 95 7.059 4.926 7.444 550 HZ2 LYS 95 HZ2 LYS 95 7.327 3.326 7.564 551 HZ3 LYS 95 HZ3 LYS 95 5.938 3.957 8.177 552 H THR 96 H THR 96 3.511 1.015 2.300 553 HA THR 96 HA THR 96 0.578 0.599 1.954 554 HB THR 96 HB THR 96 2.670 -0.794 0.239 555 HG1 THR 96 HG1 THR 96 2.037 1.498 -0.118 556 HG21 THR 96 HG21 THR 96 0.740 -1.636 -1.030 557 HG22 THR 96 HG22 THR 96 -0.379 -0.820 0.079 558 HG23 THR 96 HG23 THR 96 0.608 -2.171 0.644 559 H TYR 97 H TYR 97 -0.166 -1.185 2.869 560 HA TYR 97 HA TYR 97 1.681 -2.999 4.387 561 HB2 TYR 97 HB2 TYR 97 -1.022 -2.118 5.451 562 HB3 TYR 97 HB3 TYR 97 0.183 -3.024 6.234 563 HD1 TYR 97 HD1 TYR 97 -0.738 0.377 5.088 564 HD2 TYR 97 HD2 TYR 97 2.005 -2.012 7.385 565 HE1 TYR 97 HE1 TYR 97 0.112 2.419 6.208 566 HE2 TYR 97 HE2 TYR 97 2.909 0.039 8.453 567 HH TYR 97 HH TYR 97 1.466 3.279 7.981 568 H PHE 98 H PHE 98 1.012 -5.141 4.580 569 HA PHE 98 HA PHE 98 -1.261 -6.041 2.810 570 HB2 PHE 98 HB2 PHE 98 1.556 -7.123 3.004 571 HB3 PHE 98 HB3 PHE 98 0.268 -7.849 2.062 572 HD1 PHE 98 HD1 PHE 98 2.417 -4.770 2.293 573 HD2 PHE 98 HD2 PHE 98 -0.256 -7.121 -0.129 574 HE1 PHE 98 HE1 PHE 98 2.983 -3.384 0.336 575 HE2 PHE 98 HE2 PHE 98 0.361 -5.764 -2.118 576 HZ PHE 98 HZ PHE 98 1.964 -3.891 -1.893 577 H PHE 99 H PHE 99 -2.204 -8.088 3.254 578 HA PHE 99 HA PHE 99 -1.768 -9.077 6.063 579 HB2 PHE 99 HB2 PHE 99 -4.437 -8.519 4.745 580 HB3 PHE 99 HB3 PHE 99 -4.157 -9.073 6.393 581 HD1 PHE 99 HD1 PHE 99 -3.703 -6.225 4.044 582 HD2 PHE 99 HD2 PHE 99 -3.683 -7.464 8.177 583 HE1 PHE 99 HE1 PHE 99 -3.378 -3.922 4.724 584 HE2 PHE 99 HE2 PHE 99 -3.451 -5.102 8.863 585 HZ PHE 99 HZ PHE 99 -3.215 -3.313 7.152 586 H LYS 100 H LYS 100 -1.753 -11.183 6.342 587 HA LYS 100 HA LYS 100 -1.989 -12.958 4.043 588 HB2 LYS 100 HB2 LYS 100 -1.426 -13.524 6.957 589 HB3 LYS 100 HB3 LYS 100 -1.347 -14.722 5.641 590 HG2 LYS 100 HG2 LYS 100 0.582 -13.999 4.815 591 HG3 LYS 100 HG3 LYS 100 0.277 -12.299 5.088 592 HD2 LYS 100 HD2 LYS 100 0.749 -12.638 7.522 593 HD3 LYS 100 HD3 LYS 100 1.123 -14.337 7.178 594 HE2 LYS 100 HE2 LYS 100 2.880 -13.435 5.525 595 HE3 LYS 100 HE3 LYS 100 2.603 -11.845 6.262 596 HZ1 LYS 100 HZ1 LYS 100 3.375 -14.288 7.767 597 HZ2 LYS 100 HZ2 LYS 100 3.231 -12.805 8.400 598 HZ3 LYS 100 HZ3 LYS 100 4.454 -13.160 7.318 599 H LYS 101 H LYS 101 -3.205 -14.926 4.067 600 HA LYS 101 HA LYS 101 -6.016 -14.465 4.345 601 HB2 LYS 101 HB2 LYS 101 -6.317 -16.729 3.471 602 HB3 LYS 101 HB3 LYS 101 -5.299 -15.673 2.510 603 HG2 LYS 101 HG2 LYS 101 -3.265 -16.849 3.395 604 HG3 LYS 101 HG3 LYS 101 -4.332 -17.983 4.238 605 HD2 LYS 101 HD2 LYS 101 -5.328 -18.680 2.114 606 HD3 LYS 101 HD3 LYS 101 -4.400 -17.458 1.224 607 HE2 LYS 101 HE2 LYS 101 -2.294 -18.543 1.789 608 HE3 LYS 101 HE3 LYS 101 -3.122 -19.712 2.825 609 HZ1 LYS 101 HZ1 LYS 101 -4.243 -20.577 0.883 610 HZ2 LYS 101 HZ2 LYS 101 -2.616 -20.653 0.648 611 HZ3 LYS 101 HZ3 LYS 101 -3.531 -19.506 -0.118 612 H GLY 102 H GLY 102 -5.818 -13.851 6.610 613 HA2 GLY 102 HA2 GLY 102 -7.554 -15.033 8.259 614 HA3 GLY 102 HA3 GLY 102 -6.139 -16.031 8.608 615 H GLU 103 H GLU 103 -6.079 -12.488 7.962 616 HA GLU 103 HA GLU 103 -4.843 -12.097 10.670 617 HB2 GLU 103 HB2 GLU 103 -3.351 -12.509 8.574 618 HB3 GLU 103 HB3 GLU 103 -3.852 -10.880 8.078 619 HG2 GLU 103 HG2 GLU 103 -2.793 -9.881 9.967 620 HG3 GLU 103 HG3 GLU 103 -2.563 -11.462 10.746 621 H SER 104 H SER 104 -4.745 -9.888 11.450 622 HA SER 104 HA SER 104 -6.269 -7.805 9.980 623 HB2 SER 104 HB2 SER 104 -7.536 -7.143 11.924 624 HB3 SER 104 HB3 SER 104 -7.913 -8.797 11.486 625 HG SER 104 HG SER 104 -6.747 -9.545 13.213 626 H LYS 105 H LYS 105 -3.344 -8.428 11.198 627 HA LYS 105 HA LYS 105 -2.892 -5.514 11.147 628 HB2 LYS 105 HB2 LYS 105 -2.965 -5.992 13.553 629 HB3 LYS 105 HB3 LYS 105 -1.671 -7.191 13.371 630 HG2 LYS 105 HG2 LYS 105 -0.064 -5.575 12.804 631 HG3 LYS 105 HG3 LYS 105 -1.237 -4.305 12.547 632 HD2 LYS 105 HD2 LYS 105 -0.559 -3.719 14.661 633 HD3 LYS 105 HD3 LYS 105 -1.852 -4.820 15.135 634 HE2 LYS 105 HE2 LYS 105 -0.207 -6.670 15.307 635 HE3 LYS 105 HE3 LYS 105 1.072 -5.568 14.767 636 HZ1 LYS 105 HZ1 LYS 105 1.160 -5.690 17.145 637 HZ2 LYS 105 HZ2 LYS 105 -0.450 -5.375 17.302 638 HZ3 LYS 105 HZ3 LYS 105 0.580 -4.207 16.763 639 H SER 106 H SER 106 -1.214 -5.021 9.888 640 HA SER 106 HA SER 106 -0.342 -7.090 8.116 641 HB2 SER 106 HB2 SER 106 -0.651 -4.688 7.539 642 HB3 SER 106 HB3 SER 106 0.840 -4.306 8.426 643 HG SER 106 HG SER 106 0.592 -6.133 6.260 644 H SER 107 H SER 107 1.688 -7.953 7.676 645 HA SER 107 HA SER 107 3.951 -7.505 9.552 646 HB2 SER 107 HB2 SER 107 2.802 -10.089 8.509 647 HB3 SER 107 HB3 SER 107 4.458 -9.987 9.090 648 HG SER 107 HG SER 107 3.683 -9.206 11.093 649 H TYR 108 H TYR 108 3.029 -6.958 6.463 650 HA TYR 108 HA TYR 108 5.805 -6.940 5.499 651 HB2 TYR 108 HB2 TYR 108 5.058 -9.024 4.537 652 HB3 TYR 108 HB3 TYR 108 3.547 -8.293 4.008 653 HD1 TYR 108 HD1 TYR 108 7.257 -8.142 3.467 654 HD2 TYR 108 HD2 TYR 108 3.369 -7.247 1.897 655 HE1 TYR 108 HE1 TYR 108 8.281 -7.550 1.251 656 HE2 TYR 108 HE2 TYR 108 4.366 -6.566 -0.254 657 HH TYR 108 HH TYR 108 6.287 -6.430 -1.502 658 H VAL 109 H VAL 109 6.259 -5.258 4.320 659 HA VAL 109 HA VAL 109 4.210 -3.225 3.651 660 HB VAL 109 HB VAL 109 5.749 -1.593 4.992 661 HG11 VAL 109 HG11 VAL 109 3.480 -2.124 5.630 662 HG12 VAL 109 HG12 VAL 109 4.558 -1.935 7.043 663 HG13 VAL 109 HG13 VAL 109 4.047 -3.559 6.529 664 HG21 VAL 109 HG21 VAL 109 6.331 -4.084 6.631 665 HG22 VAL 109 HG22 VAL 109 6.958 -2.431 6.826 666 HG23 VAL 109 HG23 VAL 109 7.449 -3.440 5.428 667 H ILE 110 H ILE 110 5.005 -1.372 2.652 668 HA ILE 110 HA ILE 110 7.661 -1.480 1.294 669 HB ILE 110 HB ILE 110 4.987 -1.151 -0.046 670 HG12 ILE 110 HG12 ILE 110 6.870 -3.491 -0.257 671 HG13 ILE 110 HG13 ILE 110 5.332 -3.541 0.558 672 HG21 ILE 110 HG21 ILE 110 7.698 -1.451 -1.397 673 HG22 ILE 110 HG22 ILE 110 6.924 0.125 -1.096 674 HG23 ILE 110 HG23 ILE 110 6.150 -1.036 -2.163 675 HD11 ILE 110 HD11 ILE 110 4.157 -3.138 -1.581 676 HD12 ILE 110 HD12 ILE 110 5.095 -4.657 -1.503 677 HD13 ILE 110 HD13 ILE 110 5.694 -3.275 -2.417 678 H ASN 111 H ASN 111 8.548 0.520 1.442 679 HA ASN 111 HA ASN 111 6.901 2.745 2.598 680 HB2 ASN 111 HB2 ASN 111 9.893 2.117 2.709 681 HB3 ASN 111 HB3 ASN 111 9.169 3.601 3.318 682 HD21 ASN 111 HD21 ASN 111 10.570 2.346 5.155 683 HD22 ASN 111 HD22 ASN 111 9.438 1.694 6.320 684 H GLY 112 H GLY 112 6.981 4.841 1.672 685 HA2 GLY 112 HA2 GLY 112 8.647 5.283 -0.735 686 HA3 GLY 112 HA3 GLY 112 6.909 5.124 -0.989 687 HA PRO 113 HA PRO 113 8.256 9.529 -0.207 688 HB2 PRO 113 HB2 PRO 113 7.028 10.698 -2.377 689 HB3 PRO 113 HB3 PRO 113 8.645 9.935 -2.428 690 HG2 PRO 113 HG2 PRO 113 6.000 8.714 -3.246 691 HG3 PRO 113 HG3 PRO 113 7.560 8.699 -4.137 692 HD2 PRO 113 HD2 PRO 113 6.745 6.600 -2.618 693 HD3 PRO 113 HD3 PRO 113 8.470 7.068 -2.701 694 H GLY 114 H GLY 114 7.184 10.885 0.950 695 HA2 GLY 114 HA2 GLY 114 4.812 12.086 0.805 696 HA3 GLY 114 HA3 GLY 114 4.342 10.616 1.661 697 H LYS 115 H LYS 115 4.381 13.423 2.585 698 HA LYS 115 HA LYS 115 6.203 13.270 4.949 699 HB2 LYS 115 HB2 LYS 115 6.890 14.698 2.885 700 HB3 LYS 115 HB3 LYS 115 5.580 15.776 3.337 701 HG2 LYS 115 HG2 LYS 115 7.132 15.304 5.728 702 HG3 LYS 115 HG3 LYS 115 8.276 15.505 4.420 703 HD2 LYS 115 HD2 LYS 115 7.903 17.626 5.490 704 HD3 LYS 115 HD3 LYS 115 7.250 17.708 3.848 705 HE2 LYS 115 HE2 LYS 115 4.976 17.482 4.665 706 HE3 LYS 115 HE3 LYS 115 5.543 17.072 6.294 707 HZ1 LYS 115 HZ1 LYS 115 6.066 19.708 5.037 708 HZ2 LYS 115 HZ2 LYS 115 6.346 19.280 6.585 709 HZ3 LYS 115 HZ3 LYS 115 4.791 19.408 6.043 710 H THR 116 H THR 116 2.938 13.761 3.937 711 HA THR 116 HA THR 116 2.297 13.728 6.719 712 HB THR 116 HB THR 116 2.484 16.082 6.735 713 HG1 THR 116 HG1 THR 116 0.601 16.534 7.530 714 HG21 THR 116 HG21 THR 116 0.471 16.318 4.472 715 HG22 THR 116 HG22 THR 116 2.224 16.574 4.290 716 HG23 THR 116 HG23 THR 116 1.277 17.628 5.355 717 H ASN 117 H ASN 117 0.945 12.165 6.841 718 HA ASN 117 HA ASN 117 -1.122 11.491 4.887 719 HB2 ASN 117 HB2 ASN 117 -0.501 10.537 7.705 720 HB3 ASN 117 HB3 ASN 117 -1.814 9.905 6.707 721 HD21 ASN 117 HD21 ASN 117 -1.261 9.073 4.539 722 HD22 ASN 117 HD22 ASN 117 0.337 8.324 4.356 723 H GLU 118 H GLU 118 -0.993 14.217 6.747 724 HA GLU 118 HA GLU 118 -3.900 14.188 7.447 725 HB2 GLU 118 HB2 GLU 118 -1.597 15.461 8.966 726 HB3 GLU 118 HB3 GLU 118 -3.313 15.543 9.389 727 HG2 GLU 118 HG2 GLU 118 -3.287 12.968 9.395 728 HG3 GLU 118 HG3 GLU 118 -1.523 13.089 9.400 729 H TYR 119 H TYR 119 -2.136 15.412 5.147 730 HA TYR 119 HA TYR 119 -2.917 16.674 3.495 731 HB2 TYR 119 HB2 TYR 119 -5.130 16.911 5.044 732 HB3 TYR 119 HB3 TYR 119 -4.643 18.586 4.939 733 HD1 TYR 119 HD1 TYR 119 -4.054 19.391 2.383 734 HD2 TYR 119 HD2 TYR 119 -6.512 16.017 3.471 735 HE1 TYR 119 HE1 TYR 119 -5.114 19.427 0.132 736 HE2 TYR 119 HE2 TYR 119 -7.606 16.093 1.248 737 HH TYR 119 HH TYR 119 -6.535 18.309 -1.334 738 H ALA 120 H ALA 120 -1.416 17.799 2.610 739 HA ALA 120 HA ALA 120 0.299 19.525 4.141 740 HB1 ALA 120 HB1 ALA 120 1.040 17.939 2.337 741 HB2 ALA 120 HB2 ALA 120 1.612 19.593 2.075 742 HB3 ALA 120 HB3 ALA 120 0.232 18.977 1.144 743 H TYR 121 H TYR 121 -2.459 20.568 3.848 744 HA TYR 121 HA TYR 121 -1.872 23.313 2.960 745 HB2 TYR 121 HB2 TYR 121 -2.625 21.958 0.925 746 HB3 TYR 121 HB3 TYR 121 -4.196 21.817 1.696 747 HD1 TYR 121 HD1 TYR 121 -5.640 23.839 1.971 748 HD2 TYR 121 HD2 TYR 121 -1.805 24.056 0.014 749 HE1 TYR 121 HE1 TYR 121 -6.245 26.057 1.042 750 HE2 TYR 121 HE2 TYR 121 -2.411 26.298 -0.905 751 HH TYR 121 HH TYR 121 -5.531 27.867 -0.125 752 H1 ACE 6 H1 ACE 6 20.942 -7.804 -8.448 753 H2 ACE 6 H2 ACE 6 19.888 -8.291 -9.786 754 H3 ACE 6 H3 ACE 6 20.018 -6.572 -9.328 755 H THR 7 H THR 7 16.901 -7.760 -7.654 756 HA THR 7 HA THR 7 17.876 -6.484 -10.138 757 HB THR 7 HB THR 7 17.831 -8.936 -10.542 758 HG1 THR 7 HG1 THR 7 17.087 -8.718 -12.486 759 HG21 THR 7 HG21 THR 7 14.802 -8.754 -10.372 760 HG22 THR 7 HG22 THR 7 15.776 -10.141 -10.880 761 HG23 THR 7 HG23 THR 7 15.849 -9.586 -9.201 762 H THR 8 H THR 8 16.562 -5.457 -7.784 763 HA THR 8 HA THR 8 14.356 -4.136 -9.128 764 HB THR 8 HB THR 8 13.600 -6.401 -8.059 765 HG1 THR 8 HG1 THR 8 11.679 -4.682 -7.477 766 HG21 THR 8 HG21 THR 8 14.244 -5.856 -5.722 767 HG22 THR 8 HG22 THR 8 13.030 -4.559 -5.758 768 HG23 THR 8 HG23 THR 8 12.526 -6.247 -5.943 769 HA PRO 9 HA PRO 9 15.027 -0.572 -6.286 770 HB2 PRO 9 HB2 PRO 9 12.038 -0.573 -6.637 771 HB3 PRO 9 HB3 PRO 9 13.175 0.816 -6.661 772 HG2 PRO 9 HG2 PRO 9 12.247 -0.159 -8.963 773 HG3 PRO 9 HG3 PRO 9 14.010 0.167 -8.808 774 HD2 PRO 9 HD2 PRO 9 12.544 -2.463 -8.527 775 HD3 PRO 9 HD3 PRO 9 14.043 -2.091 -9.425 776 H ASP 10 H ASP 10 13.222 0.415 -4.539 777 HA ASP 10 HA ASP 10 13.259 -1.364 -2.209 778 HB2 ASP 10 HB2 ASP 10 12.202 1.467 -2.624 779 HB3 ASP 10 HB3 ASP 10 12.063 0.563 -1.125 780 HN2 TYS 11 HN2 TYS 11 12.048 -3.050 -2.793 781 HA TYS 11 HA TYS 11 9.364 -2.712 -3.970 782 HB2 TYS 11 HB2 TYS 11 11.531 -4.824 -3.998 783 HB3 TYS 11 HB3 TYS 11 9.938 -5.463 -3.842 784 HD1 TYS 11 HD1 TYS 11 8.932 -6.043 -5.753 785 HD2 TYS 11 HD2 TYS 11 11.184 -2.420 -5.628 786 HE1 TYS 11 HE1 TYS 11 8.236 -5.564 -7.974 787 HE2 TYS 11 HE2 TYS 11 10.312 -1.818 -7.780 788 H GLY 12 H GLY 12 10.768 -4.125 -1.269 789 HA2 GLY 12 HA2 GLY 12 8.271 -4.892 0.027 790 HA3 GLY 12 HA3 GLY 12 9.229 -6.160 -0.717 791 H HIS 13 H HIS 13 8.571 -5.009 2.260 792 HA HIS 13 HA HIS 13 10.800 -6.628 3.182 793 HB2 HIS 13 HB2 HIS 13 11.564 -5.203 4.925 794 HB3 HIS 13 HB3 HIS 13 11.883 -4.418 3.379 795 HD1 HIS 13 HD1 HIS 13 10.081 -2.384 2.721 796 HD2 HIS 13 HD2 HIS 13 10.064 -3.808 6.722 797 HE1 HIS 13 HE1 HIS 13 8.714 -0.708 4.107 798 HE2 HIS 13 HE2 HIS 13 9.106 -1.364 6.607 799 HN2 TYS 14 HN2 TYS 14 10.562 -7.371 5.315 800 HA TYS 14 HA TYS 14 7.733 -7.350 6.252 801 HB2 TYS 14 HB2 TYS 14 9.994 -9.356 6.609 802 HB3 TYS 14 HB3 TYS 14 8.526 -9.402 7.541 803 HD1 TYS 14 HD1 TYS 14 9.665 -9.545 3.853 804 HD2 TYS 14 HD2 TYS 14 6.526 -10.382 6.722 805 HE1 TYS 14 HE1 TYS 14 8.757 -11.177 2.390 806 HE2 TYS 14 HE2 TYS 14 5.581 -11.984 5.198 807 H ASP 15 H ASP 15 7.118 -6.743 8.147 808 HA ASP 15 HA ASP 15 9.001 -5.822 10.191 809 HB2 ASP 15 HB2 ASP 15 8.753 -4.005 8.289 810 HB3 ASP 15 HB3 ASP 15 7.195 -3.705 8.970 811 H ASP 16 H ASP 16 7.923 -5.154 12.089 812 HA ASP 16 HA ASP 16 5.005 -5.697 12.340 813 HB2 ASP 16 HB2 ASP 16 7.094 -7.217 13.937 814 HB3 ASP 16 HB3 ASP 16 5.382 -7.187 14.323 815 H LYS 17 H LYS 17 7.395 -3.525 12.968 816 HA LYS 17 HA LYS 17 5.757 -2.419 15.221 817 HB2 LYS 17 HB2 LYS 17 7.445 -1.546 16.244 818 HB3 LYS 17 HB3 LYS 17 8.418 -2.734 15.410 819 HG2 LYS 17 HG2 LYS 17 8.063 0.197 14.623 820 HG3 LYS 17 HG3 LYS 17 9.384 -0.485 15.539 821 HD2 LYS 17 HD2 LYS 17 8.819 -0.973 12.611 822 HD3 LYS 17 HD3 LYS 17 10.114 -0.037 13.333 823 HE2 LYS 17 HE2 LYS 17 10.926 -2.135 14.487 824 HE3 LYS 17 HE3 LYS 17 9.711 -3.047 13.566 825 HZ1 LYS 17 HZ1 LYS 17 11.883 -1.425 12.365 826 HZ2 LYS 17 HZ2 LYS 17 10.738 -2.308 11.539 827 HZ3 LYS 17 HZ3 LYS 17 11.864 -3.069 12.466 828 H ASP 18 H ASP 18 6.846 -1.986 11.964 829 HA ASP 18 HA ASP 18 5.069 0.408 11.653 830 HB2 ASP 18 HB2 ASP 18 7.189 -0.850 9.865 831 HB3 ASP 18 HB3 ASP 18 6.055 0.384 9.339 832 H THR 19 H THR 19 3.068 -0.600 11.818 833 HA THR 19 HA THR 19 2.256 -2.331 9.557 834 HB THR 19 HB THR 19 2.620 -3.907 11.424 835 HG1 THR 19 HG1 THR 19 1.148 -4.772 10.573 836 HG21 THR 19 HG21 THR 19 0.573 -2.390 13.019 837 HG22 THR 19 HG22 THR 19 2.327 -2.285 13.317 838 HG23 THR 19 HG23 THR 19 1.530 -3.842 13.456 839 H LEU 20 H LEU 20 -0.249 -2.527 9.657 840 HA LEU 20 HA LEU 20 -1.592 -0.219 10.865 841 HB2 LEU 20 HB2 LEU 20 -1.470 0.281 8.429 842 HB3 LEU 20 HB3 LEU 20 -2.121 -1.320 8.071 843 HG LEU 20 HG LEU 20 -4.217 -0.671 9.317 844 HD11 LEU 20 HD11 LEU 20 -2.891 2.079 9.296 845 HD12 LEU 20 HD12 LEU 20 -3.359 1.147 10.744 846 HD13 LEU 20 HD13 LEU 20 -4.597 1.778 9.656 847 HD21 LEU 20 HD21 LEU 20 -3.312 0.989 6.934 848 HD22 LEU 20 HD22 LEU 20 -5.002 0.884 7.502 849 HD23 LEU 20 HD23 LEU 20 -4.162 -0.569 6.966 850 H ASP 21 H ASP 21 -3.003 -0.926 12.194 851 HA ASP 21 HA ASP 21 -3.802 -3.719 12.453 852 HB2 ASP 21 HB2 ASP 21 -4.604 -2.786 14.714 853 HB3 ASP 21 HB3 ASP 21 -2.881 -2.833 14.388 854 H LEU 22 H LEU 22 -5.365 -4.112 11.042 855 HA LEU 22 HA LEU 22 -7.790 -2.538 10.585 856 HB2 LEU 22 HB2 LEU 22 -6.413 -4.959 9.455 857 HB3 LEU 22 HB3 LEU 22 -8.168 -4.953 9.322 858 HG LEU 22 HG LEU 22 -8.102 -2.874 8.054 859 HD11 LEU 22 HD11 LEU 22 -5.103 -3.100 8.513 860 HD12 LEU 22 HD12 LEU 22 -6.171 -1.732 8.899 861 HD13 LEU 22 HD13 LEU 22 -5.835 -2.137 7.201 862 HD21 LEU 22 HD21 LEU 22 -7.925 -5.041 6.939 863 HD22 LEU 22 HD22 LEU 22 -6.154 -5.031 7.135 864 HD23 LEU 22 HD23 LEU 22 -6.932 -3.841 6.075 865 H ASN 23 H ASN 23 -7.576 -3.082 13.313 866 HA ASN 23 HA ASN 23 -9.983 -4.755 13.785 867 HB2 ASN 23 HB2 ASN 23 -8.826 -6.033 15.563 868 HB3 ASN 23 HB3 ASN 23 -8.195 -6.339 13.957 869 HD21 ASN 23 HD21 ASN 23 -6.001 -6.193 13.716 870 HD22 ASN 23 HD22 ASN 23 -4.981 -5.789 15.086 871 H THR 24 H THR 24 -9.163 -1.759 14.230 872 HA THR 24 HA THR 24 -10.606 -1.500 16.772 873 HB THR 24 HB THR 24 -8.271 -1.925 17.484 874 HG1 THR 24 HG1 THR 24 -8.096 -0.142 18.827 875 HG21 THR 24 HG21 THR 24 -7.072 -0.880 15.613 876 HG22 THR 24 HG22 THR 24 -6.532 -0.280 17.184 877 HG23 THR 24 HG23 THR 24 -7.595 0.733 16.186 878 HA PRO 25 HA PRO 25 -11.755 2.120 14.481 879 HB2 PRO 25 HB2 PRO 25 -13.626 3.199 16.047 880 HB3 PRO 25 HB3 PRO 25 -13.748 1.457 15.641 881 HG2 PRO 25 HG2 PRO 25 -12.455 2.683 18.129 882 HG3 PRO 25 HG3 PRO 25 -13.767 1.493 18.077 883 HD2 PRO 25 HD2 PRO 25 -11.141 0.818 18.286 884 HD3 PRO 25 HD3 PRO 25 -12.296 -0.222 17.396 885 H VAL 26 H VAL 26 -11.803 4.355 14.273 886 HA VAL 26 HA VAL 26 -11.683 6.163 16.455 887 HB VAL 26 HB VAL 26 -9.314 5.781 16.393 888 HG11 VAL 26 HG11 VAL 26 -8.968 5.198 13.984 889 HG12 VAL 26 HG12 VAL 26 -7.848 6.438 14.554 890 HG13 VAL 26 HG13 VAL 26 -9.232 6.898 13.548 891 HG21 VAL 26 HG21 VAL 26 -9.911 8.556 15.285 892 HG22 VAL 26 HG22 VAL 26 -8.535 8.074 16.292 893 HG23 VAL 26 HG23 VAL 26 -10.166 8.039 16.968 894 H ASP 27 H ASP 27 -12.831 7.941 15.900 895 HA ASP 27 HA ASP 27 -13.037 8.733 13.043 896 HB2 ASP 27 HB2 ASP 27 -15.326 7.950 14.861 897 HB3 ASP 27 HB3 ASP 27 -15.565 8.990 13.461 898 H LYS 28 H LYS 28 -12.119 9.815 15.900 899 HA LYS 28 HA LYS 28 -13.237 12.547 15.632 900 HB2 LYS 28 HB2 LYS 28 -12.892 11.473 17.912 901 HB3 LYS 28 HB3 LYS 28 -11.160 11.489 17.605 902 HG2 LYS 28 HG2 LYS 28 -11.667 13.388 18.971 903 HG3 LYS 28 HG3 LYS 28 -11.299 14.013 17.361 904 HD2 LYS 28 HD2 LYS 28 -13.779 14.162 16.911 905 HD3 LYS 28 HD3 LYS 28 -14.081 13.613 18.570 906 HE2 LYS 28 HE2 LYS 28 -12.998 15.606 19.472 907 HE3 LYS 28 HE3 LYS 28 -12.430 16.068 17.862 908 HZ1 LYS 28 HZ1 LYS 28 -15.246 15.998 18.759 909 HZ2 LYS 28 HZ2 LYS 28 -14.374 17.337 18.373 910 HZ3 LYS 28 HZ3 LYS 28 -14.797 16.283 17.197 911 HN1 NH2 29 HN1 NH2 29 -10.713 13.624 13.453 912 HN2 NH2 29 HN2 NH2 29 -12.410 13.577 13.856
Contact the webmaster for help, if required. Tuesday, May 14, 2024 6:45:41 PM GMT (wattos1)