NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25374 | 2k8a | 16818 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 49 H1 ALA 49 -12.670 -13.200 10.704 2 H2 ALA 49 H2 ALA 49 -13.483 -11.716 10.835 3 H3 ALA 49 H3 ALA 49 -12.178 -12.066 11.864 4 HA ALA 49 HA ALA 49 -11.668 -10.509 10.012 5 HB1 ALA 49 HB1 ALA 49 -10.111 -13.091 10.072 6 HB2 ALA 49 HB2 ALA 49 -9.930 -11.761 11.213 7 HB3 ALA 49 HB3 ALA 49 -9.518 -11.524 9.515 8 H ASN 50 H ASN 50 -11.694 -10.100 7.872 9 HA ASN 50 HA ASN 50 -12.127 -10.296 5.662 10 HB2 ASN 50 HB2 ASN 50 -11.246 -13.151 6.130 11 HB3 ASN 50 HB3 ASN 50 -11.519 -12.446 4.540 12 HD21 ASN 50 HD21 ASN 50 -9.091 -13.550 5.742 13 HD22 ASN 50 HD22 ASN 50 -7.909 -12.284 5.678 14 H GLN 51 H GLN 51 -14.376 -10.055 6.756 15 HA GLN 51 HA GLN 51 -16.241 -12.172 6.543 16 HB2 GLN 51 HB2 GLN 51 -16.695 -9.193 6.251 17 HB3 GLN 51 HB3 GLN 51 -17.951 -10.391 6.519 18 HG2 GLN 51 HG2 GLN 51 -15.695 -9.840 8.430 19 HG3 GLN 51 HG3 GLN 51 -17.293 -9.109 8.540 20 HE21 GLN 51 HE21 GLN 51 -17.698 -10.003 10.550 21 HE22 GLN 51 HE22 GLN 51 -18.022 -11.687 10.774 22 H GLN 52 H GLN 52 -14.872 -9.930 4.282 23 HA GLN 52 HA GLN 52 -16.144 -11.415 2.088 24 HB2 GLN 52 HB2 GLN 52 -17.238 -9.222 2.261 25 HB3 GLN 52 HB3 GLN 52 -15.672 -8.424 2.216 26 HG2 GLN 52 HG2 GLN 52 -15.317 -9.301 -0.055 27 HG3 GLN 52 HG3 GLN 52 -16.924 -10.022 -0.007 28 HE21 GLN 52 HE21 GLN 52 -18.068 -7.762 1.451 29 HE22 GLN 52 HE22 GLN 52 -18.224 -6.481 0.299 30 H THR 53 H THR 53 -14.687 -12.219 0.686 31 HA THR 53 HA THR 53 -11.974 -11.060 0.727 32 HB THR 53 HB THR 53 -12.575 -13.988 0.268 33 HG1 THR 53 HG1 THR 53 -13.117 -13.377 2.425 34 HG21 THR 53 HG21 THR 53 -10.019 -12.505 0.897 35 HG22 THR 53 HG22 THR 53 -10.459 -13.198 -0.664 36 HG23 THR 53 HG23 THR 53 -10.171 -14.254 0.719 37 H SER 54 H SER 54 -13.266 -9.840 -1.019 38 HA SER 54 HA SER 54 -13.470 -11.298 -3.529 39 HB2 SER 54 HB2 SER 54 -14.324 -9.034 -4.344 40 HB3 SER 54 HB3 SER 54 -15.302 -9.837 -3.113 41 HG SER 54 HG SER 54 -15.094 -7.938 -2.177 42 H GLY 55 H GLY 55 -12.033 -8.202 -2.505 43 HA2 GLY 55 HA2 GLY 55 -10.019 -8.560 -4.621 44 HA3 GLY 55 HA3 GLY 55 -10.503 -7.018 -3.932 45 H LYS 56 H LYS 56 -8.492 -9.814 -3.579 46 HA LYS 56 HA LYS 56 -7.060 -8.440 -1.414 47 HB2 LYS 56 HB2 LYS 56 -7.283 -11.374 -2.069 48 HB3 LYS 56 HB3 LYS 56 -6.075 -10.723 -0.978 49 HG2 LYS 56 HG2 LYS 56 -8.943 -10.097 -0.512 50 HG3 LYS 56 HG3 LYS 56 -8.303 -11.672 -0.040 51 HD2 LYS 56 HD2 LYS 56 -6.631 -10.574 1.346 52 HD3 LYS 56 HD3 LYS 56 -7.236 -8.991 0.844 53 HE2 LYS 56 HE2 LYS 56 -9.424 -9.559 1.799 54 HE3 LYS 56 HE3 LYS 56 -8.773 -11.104 2.347 55 HZ1 LYS 56 HZ1 LYS 56 -7.051 -9.658 3.554 56 HZ2 LYS 56 HZ2 LYS 56 -8.612 -9.763 4.203 57 HZ3 LYS 56 HZ3 LYS 56 -8.158 -8.386 3.324 58 H VAL 57 H VAL 57 -4.788 -8.357 -1.578 59 HA VAL 57 HA VAL 57 -3.827 -8.570 -4.361 60 HB VAL 57 HB VAL 57 -2.631 -6.812 -2.242 61 HG11 VAL 57 HG11 VAL 57 -2.492 -6.937 -5.238 62 HG12 VAL 57 HG12 VAL 57 -1.184 -7.058 -4.051 63 HG13 VAL 57 HG13 VAL 57 -1.986 -5.512 -4.324 64 HG21 VAL 57 HG21 VAL 57 -4.106 -5.138 -2.535 65 HG22 VAL 57 HG22 VAL 57 -5.194 -6.481 -2.892 66 HG23 VAL 57 HG23 VAL 57 -4.450 -5.576 -4.212 67 H LEU 58 H LEU 58 -1.973 -9.670 -4.778 68 HA LEU 58 HA LEU 58 -0.771 -11.106 -2.530 69 HB2 LEU 58 HB2 LEU 58 -1.552 -12.357 -4.523 70 HB3 LEU 58 HB3 LEU 58 -0.378 -11.495 -5.503 71 HG LEU 58 HG LEU 58 1.366 -12.487 -3.861 72 HD11 LEU 58 HD11 LEU 58 -0.724 -14.598 -3.512 73 HD12 LEU 58 HD12 LEU 58 -0.582 -13.260 -2.375 74 HD13 LEU 58 HD13 LEU 58 0.780 -14.355 -2.620 75 HD21 LEU 58 HD21 LEU 58 1.165 -13.116 -6.213 76 HD22 LEU 58 HD22 LEU 58 -0.111 -14.260 -5.801 77 HD23 LEU 58 HD23 LEU 58 1.527 -14.515 -5.203 78 H TYR 59 H TYR 59 1.172 -10.607 -1.756 79 HA TYR 59 HA TYR 59 3.078 -9.225 -3.504 80 HB2 TYR 59 HB2 TYR 59 3.592 -7.554 -1.981 81 HB3 TYR 59 HB3 TYR 59 1.860 -7.717 -1.721 82 HD1 TYR 59 HD1 TYR 59 1.127 -9.258 0.241 83 HD2 TYR 59 HD2 TYR 59 5.059 -7.708 -0.209 84 HE1 TYR 59 HE1 TYR 59 1.569 -9.698 2.622 85 HE2 TYR 59 HE2 TYR 59 5.509 -8.122 2.176 86 HH TYR 59 HH TYR 59 4.246 -8.407 4.274 87 H GLU 60 H GLU 60 4.761 -10.484 -3.728 88 HA GLU 60 HA GLU 60 6.435 -11.960 -3.346 89 HB2 GLU 60 HB2 GLU 60 6.191 -11.019 -0.499 90 HB3 GLU 60 HB3 GLU 60 7.581 -11.842 -1.195 91 HG2 GLU 60 HG2 GLU 60 7.955 -9.996 -2.707 92 HG3 GLU 60 HG3 GLU 60 6.511 -9.190 -2.099 93 H GLY 61 H GLY 61 3.555 -12.772 -2.779 94 HA2 GLY 61 HA2 GLY 61 3.060 -15.156 -2.809 95 HA3 GLY 61 HA3 GLY 61 4.281 -15.361 -1.567 96 H LYS 62 H LYS 62 2.927 -12.711 -0.442 97 HA LYS 62 HA LYS 62 0.888 -14.200 1.086 98 HB2 LYS 62 HB2 LYS 62 2.839 -13.011 2.258 99 HB3 LYS 62 HB3 LYS 62 2.040 -11.516 1.801 100 HG2 LYS 62 HG2 LYS 62 0.048 -12.195 3.051 101 HG3 LYS 62 HG3 LYS 62 0.873 -13.679 3.536 102 HD2 LYS 62 HD2 LYS 62 1.770 -10.871 4.179 103 HD3 LYS 62 HD3 LYS 62 0.964 -11.975 5.295 104 HE2 LYS 62 HE2 LYS 62 2.820 -13.523 5.146 105 HE3 LYS 62 HE3 LYS 62 3.618 -12.490 3.960 106 HZ1 LYS 62 HZ1 LYS 62 2.996 -11.706 6.757 107 HZ2 LYS 62 HZ2 LYS 62 3.831 -10.771 5.614 108 HZ3 LYS 62 HZ3 LYS 62 4.517 -12.204 6.194 109 H GLU 63 H GLU 63 -1.141 -13.204 1.510 110 HA GLU 63 HA GLU 63 -1.868 -11.214 -0.532 111 HB2 GLU 63 HB2 GLU 63 -3.454 -13.461 0.673 112 HB3 GLU 63 HB3 GLU 63 -4.235 -12.118 -0.155 113 HG2 GLU 63 HG2 GLU 63 -2.918 -12.626 -2.168 114 HG3 GLU 63 HG3 GLU 63 -2.208 -14.006 -1.333 115 H PHE 64 H PHE 64 -2.795 -9.396 -0.018 116 HA PHE 64 HA PHE 64 -3.680 -8.953 2.748 117 HB2 PHE 64 HB2 PHE 64 -1.622 -7.546 1.215 118 HB3 PHE 64 HB3 PHE 64 -2.799 -6.480 1.962 119 HD1 PHE 64 HD1 PHE 64 -3.090 -6.543 4.437 120 HD2 PHE 64 HD2 PHE 64 0.003 -8.681 2.467 121 HE1 PHE 64 HE1 PHE 64 -1.899 -6.781 6.577 122 HE2 PHE 64 HE2 PHE 64 1.201 -8.932 4.600 123 HZ PHE 64 HZ PHE 64 0.252 -7.975 6.660 124 H ASP 65 H ASP 65 -4.962 -6.843 2.855 125 HA ASP 65 HA ASP 65 -7.225 -7.050 1.253 126 HB2 ASP 65 HB2 ASP 65 -6.273 -4.765 2.984 127 HB3 ASP 65 HB3 ASP 65 -7.828 -4.769 2.157 128 H TYR 66 H TYR 66 -5.134 -4.171 1.303 129 HA TYR 66 HA TYR 66 -5.181 -4.191 -1.629 130 HB2 TYR 66 HB2 TYR 66 -6.045 -1.948 0.172 131 HB3 TYR 66 HB3 TYR 66 -5.379 -1.607 -1.421 132 HD1 TYR 66 HD1 TYR 66 -6.588 -2.191 -3.430 133 HD2 TYR 66 HD2 TYR 66 -8.218 -3.016 0.411 134 HE1 TYR 66 HE1 TYR 66 -8.790 -2.565 -4.451 135 HE2 TYR 66 HE2 TYR 66 -10.427 -3.393 -0.600 136 HH TYR 66 HH TYR 66 -10.852 -3.682 -4.009 137 H VAL 67 H VAL 67 -3.012 -4.736 -1.821 138 HA VAL 67 HA VAL 67 -1.090 -2.938 -0.567 139 HB VAL 67 HB VAL 67 0.497 -4.473 -0.791 140 HG11 VAL 67 HG11 VAL 67 -1.419 -5.765 0.044 141 HG12 VAL 67 HG12 VAL 67 -0.213 -6.746 -0.779 142 HG13 VAL 67 HG13 VAL 67 -1.720 -6.332 -1.602 143 HG21 VAL 67 HG21 VAL 67 -0.358 -5.628 -3.401 144 HG22 VAL 67 HG22 VAL 67 1.268 -5.440 -2.732 145 HG23 VAL 67 HG23 VAL 67 0.397 -4.038 -3.354 146 H PHE 68 H PHE 68 0.068 -1.442 -1.663 147 HA PHE 68 HA PHE 68 -0.958 -0.687 -4.279 148 HB2 PHE 68 HB2 PHE 68 -0.776 1.047 -2.578 149 HB3 PHE 68 HB3 PHE 68 0.925 0.685 -2.347 150 HD1 PHE 68 HD1 PHE 68 -1.189 1.349 -5.369 151 HD2 PHE 68 HD2 PHE 68 2.247 2.369 -3.076 152 HE1 PHE 68 HE1 PHE 68 -0.564 3.023 -7.062 153 HE2 PHE 68 HE2 PHE 68 2.877 4.049 -4.765 154 HZ PHE 68 HZ PHE 68 1.473 4.376 -6.764 155 H SER 69 H SER 69 0.378 -0.368 -6.103 156 HA SER 69 HA SER 69 2.877 -1.905 -6.005 157 HB2 SER 69 HB2 SER 69 1.124 -2.722 -7.582 158 HB3 SER 69 HB3 SER 69 1.203 -1.183 -8.421 159 HG SER 69 HG SER 69 3.107 -1.702 -9.271 160 H ILE 70 H ILE 70 4.663 -0.779 -5.998 161 HA ILE 70 HA ILE 70 4.535 2.061 -6.745 162 HB ILE 70 HB ILE 70 6.530 0.708 -4.926 163 HG12 ILE 70 HG12 ILE 70 3.957 2.157 -4.291 164 HG13 ILE 70 HG13 ILE 70 4.387 0.498 -3.871 165 HG21 ILE 70 HG21 ILE 70 7.476 2.694 -5.747 166 HG22 ILE 70 HG22 ILE 70 6.833 3.118 -4.158 167 HG23 ILE 70 HG23 ILE 70 5.954 3.574 -5.616 168 HD11 ILE 70 HD11 ILE 70 5.899 1.208 -2.226 169 HD12 ILE 70 HD12 ILE 70 4.469 2.213 -2.026 170 HD13 ILE 70 HD13 ILE 70 5.898 2.863 -2.824 171 H ASP 71 H ASP 71 5.498 2.576 -8.578 172 HA ASP 71 HA ASP 71 7.937 1.116 -9.343 173 HB2 ASP 71 HB2 ASP 71 7.543 1.705 -11.629 174 HB3 ASP 71 HB3 ASP 71 6.029 1.073 -10.998 175 H VAL 72 H VAL 72 9.807 2.211 -9.583 176 HA VAL 72 HA VAL 72 9.908 5.046 -9.911 177 HB VAL 72 HB VAL 72 9.505 4.996 -7.494 178 HG11 VAL 72 HG11 VAL 72 11.242 4.052 -5.984 179 HG12 VAL 72 HG12 VAL 72 11.970 3.284 -7.397 180 HG13 VAL 72 HG13 VAL 72 10.339 2.839 -6.896 181 HG21 VAL 72 HG21 VAL 72 11.464 6.302 -6.779 182 HG22 VAL 72 HG22 VAL 72 10.885 6.778 -8.374 183 HG23 VAL 72 HG23 VAL 72 12.326 5.774 -8.221 184 H ASN 73 H ASN 73 11.585 2.083 -9.064 185 HA ASN 73 HA ASN 73 13.935 2.932 -10.574 186 HB2 ASN 73 HB2 ASN 73 14.911 0.773 -9.775 187 HB3 ASN 73 HB3 ASN 73 14.432 1.844 -8.462 188 HD21 ASN 73 HD21 ASN 73 14.788 -1.100 -8.622 189 HD22 ASN 73 HD22 ASN 73 13.289 -1.770 -8.060 190 H GLU 74 H GLU 74 14.368 2.176 -12.582 191 HA GLU 74 HA GLU 74 12.417 0.313 -13.728 192 HB2 GLU 74 HB2 GLU 74 12.934 2.486 -14.892 193 HB3 GLU 74 HB3 GLU 74 14.557 1.872 -15.181 194 HG2 GLU 74 HG2 GLU 74 13.134 1.584 -17.132 195 HG3 GLU 74 HG3 GLU 74 13.653 0.031 -16.479 196 H GLY 75 H GLY 75 12.911 -1.743 -14.011 197 HA2 GLY 75 HA2 GLY 75 14.208 -3.631 -14.411 198 HA3 GLY 75 HA3 GLY 75 15.634 -2.604 -14.476 199 H GLY 76 H GLY 76 13.551 -4.494 -12.465 200 HA2 GLY 76 HA2 GLY 76 15.211 -5.367 -10.582 201 HA3 GLY 76 HA3 GLY 76 14.953 -3.717 -10.032 202 HA PRO 77 HA PRO 77 11.620 -6.427 -8.242 203 HB2 PRO 77 HB2 PRO 77 11.922 -5.602 -5.680 204 HB3 PRO 77 HB3 PRO 77 12.872 -6.919 -6.376 205 HG2 PRO 77 HG2 PRO 77 13.627 -4.056 -5.950 206 HG3 PRO 77 HG3 PRO 77 14.587 -5.521 -5.678 207 HD2 PRO 77 HD2 PRO 77 14.865 -3.956 -7.883 208 HD3 PRO 77 HD3 PRO 77 15.168 -5.704 -7.893 209 H SER 78 H SER 78 9.574 -5.756 -8.049 210 HA SER 78 HA SER 78 8.993 -2.923 -8.068 211 HB2 SER 78 HB2 SER 78 6.594 -3.765 -8.195 212 HB3 SER 78 HB3 SER 78 7.641 -4.248 -9.528 213 HG SER 78 HG SER 78 7.909 -6.273 -8.487 214 H TYR 79 H TYR 79 7.694 -1.850 -6.483 215 HA TYR 79 HA TYR 79 8.056 -3.019 -3.817 216 HB2 TYR 79 HB2 TYR 79 7.487 -0.163 -4.658 217 HB3 TYR 79 HB3 TYR 79 7.761 -0.700 -3.004 218 HD1 TYR 79 HD1 TYR 79 10.041 -2.250 -2.899 219 HD2 TYR 79 HD2 TYR 79 9.265 0.946 -5.589 220 HE1 TYR 79 HE1 TYR 79 12.463 -1.915 -3.189 221 HE2 TYR 79 HE2 TYR 79 11.680 1.289 -5.892 222 HH TYR 79 HH TYR 79 13.772 0.835 -4.634 223 H LYS 80 H LYS 80 6.294 -3.785 -2.748 224 HA LYS 80 HA LYS 80 3.680 -2.791 -3.665 225 HB2 LYS 80 HB2 LYS 80 4.237 -5.526 -2.491 226 HB3 LYS 80 HB3 LYS 80 2.694 -4.948 -3.103 227 HG2 LYS 80 HG2 LYS 80 5.183 -5.502 -4.694 228 HG3 LYS 80 HG3 LYS 80 3.682 -6.418 -4.714 229 HD2 LYS 80 HD2 LYS 80 3.705 -3.512 -5.427 230 HD3 LYS 80 HD3 LYS 80 4.160 -4.724 -6.619 231 HE2 LYS 80 HE2 LYS 80 1.527 -4.504 -5.164 232 HE3 LYS 80 HE3 LYS 80 1.826 -4.156 -6.859 233 HZ1 LYS 80 HZ1 LYS 80 0.805 -6.325 -6.578 234 HZ2 LYS 80 HZ2 LYS 80 2.089 -6.833 -5.595 235 HZ3 LYS 80 HZ3 LYS 80 2.365 -6.478 -7.226 236 H LEU 81 H LEU 81 2.315 -1.997 -2.154 237 HA LEU 81 HA LEU 81 3.320 -1.917 0.624 238 HB2 LEU 81 HB2 LEU 81 2.875 0.141 -1.032 239 HB3 LEU 81 HB3 LEU 81 1.282 0.008 -0.331 240 HG LEU 81 HG LEU 81 3.813 0.945 0.872 241 HD11 LEU 81 HD11 LEU 81 2.362 2.528 1.899 242 HD12 LEU 81 HD12 LEU 81 0.946 1.593 1.433 243 HD13 LEU 81 HD13 LEU 81 1.917 2.391 0.196 244 HD21 LEU 81 HD21 LEU 81 3.040 0.460 3.142 245 HD22 LEU 81 HD22 LEU 81 3.380 -1.013 2.239 246 HD23 LEU 81 HD23 LEU 81 1.712 -0.499 2.484 247 HA PRO 82 HA PRO 82 -0.535 -4.426 0.983 248 HB2 PRO 82 HB2 PRO 82 0.838 -5.258 3.441 249 HB3 PRO 82 HB3 PRO 82 0.154 -6.239 2.147 250 HG2 PRO 82 HG2 PRO 82 2.778 -6.011 2.436 251 HG3 PRO 82 HG3 PRO 82 2.044 -6.053 0.826 252 HD2 PRO 82 HD2 PRO 82 3.020 -3.679 2.381 253 HD3 PRO 82 HD3 PRO 82 3.248 -4.072 0.667 254 H TYR 83 H TYR 83 -2.157 -3.156 1.622 255 HA TYR 83 HA TYR 83 -2.043 -1.956 4.298 256 HB2 TYR 83 HB2 TYR 83 -2.011 -0.198 2.692 257 HB3 TYR 83 HB3 TYR 83 -3.251 -0.969 1.713 258 HD1 TYR 83 HD1 TYR 83 -2.885 0.231 5.231 259 HD2 TYR 83 HD2 TYR 83 -5.305 0.057 1.748 260 HE1 TYR 83 HE1 TYR 83 -4.574 1.629 6.346 261 HE2 TYR 83 HE2 TYR 83 -7.009 1.448 2.851 262 HH TYR 83 HH TYR 83 -7.698 1.962 5.235 263 H ASN 84 H ASN 84 -3.502 -2.707 5.700 264 HA ASN 84 HA ASN 84 -5.964 -3.989 4.730 265 HB2 ASN 84 HB2 ASN 84 -5.073 -3.525 7.602 266 HB3 ASN 84 HB3 ASN 84 -6.381 -4.568 7.061 267 HD21 ASN 84 HD21 ASN 84 -5.850 -6.488 5.927 268 HD22 ASN 84 HD22 ASN 84 -4.313 -7.253 6.189 269 H THR 85 H THR 85 -7.975 -2.937 4.990 270 HA THR 85 HA THR 85 -7.701 -0.151 4.677 271 HB THR 85 HB THR 85 -10.194 -0.130 4.514 272 HG1 THR 85 HG1 THR 85 -11.319 -1.863 5.076 273 HG21 THR 85 HG21 THR 85 -8.409 -0.870 2.730 274 HG22 THR 85 HG22 THR 85 -10.135 -1.008 2.392 275 HG23 THR 85 HG23 THR 85 -9.214 -2.430 2.895 276 H SER 86 H SER 86 -8.043 -1.945 7.512 277 HA SER 86 HA SER 86 -9.181 0.326 8.967 278 HB2 SER 86 HB2 SER 86 -9.115 -1.539 10.852 279 HB3 SER 86 HB3 SER 86 -10.399 -1.506 9.643 280 HG SER 86 HG SER 86 -9.758 -3.507 9.349 281 H ASP 87 H ASP 87 -6.264 -0.270 7.975 282 HA ASP 87 HA ASP 87 -4.921 0.148 10.572 283 HB2 ASP 87 HB2 ASP 87 -4.205 -1.751 8.968 284 HB3 ASP 87 HB3 ASP 87 -3.505 -0.468 7.985 285 H ASP 88 H ASP 88 -3.200 1.793 10.635 286 HA ASP 88 HA ASP 88 -4.143 4.210 9.360 287 HB2 ASP 88 HB2 ASP 88 -1.819 3.796 11.245 288 HB3 ASP 88 HB3 ASP 88 -2.425 5.353 10.706 289 HA PRO 89 HA PRO 89 -1.518 4.348 5.828 290 HB2 PRO 89 HB2 PRO 89 -0.805 7.050 5.991 291 HB3 PRO 89 HB3 PRO 89 -2.202 6.400 5.138 292 HG2 PRO 89 HG2 PRO 89 -2.031 7.633 7.834 293 HG3 PRO 89 HG3 PRO 89 -3.343 7.702 6.645 294 HD2 PRO 89 HD2 PRO 89 -3.512 6.179 8.824 295 HD3 PRO 89 HD3 PRO 89 -4.186 5.640 7.281 296 H TRP 90 H TRP 90 -0.225 6.520 8.318 297 HA TRP 90 HA TRP 90 2.430 6.304 7.501 298 HB2 TRP 90 HB2 TRP 90 2.942 7.195 9.818 299 HB3 TRP 90 HB3 TRP 90 1.859 8.169 8.835 300 HD1 TRP 90 HD1 TRP 90 1.848 5.894 11.931 301 HE1 TRP 90 HE1 TRP 90 -0.300 6.358 13.279 302 HE3 TRP 90 HE3 TRP 90 -0.495 9.053 8.660 303 HZ2 TRP 90 HZ2 TRP 90 -2.661 7.874 12.991 304 HZ3 TRP 90 HZ3 TRP 90 -2.694 9.969 9.275 305 HH2 TRP 90 HH2 TRP 90 -3.752 9.390 11.396 306 H LEU 91 H LEU 91 0.525 4.231 9.541 307 HA LEU 91 HA LEU 91 2.784 2.840 10.641 308 HB2 LEU 91 HB2 LEU 91 -0.135 2.095 10.545 309 HB3 LEU 91 HB3 LEU 91 1.092 1.219 11.435 310 HG LEU 91 HG LEU 91 0.168 4.038 11.974 311 HD11 LEU 91 HD11 LEU 91 -1.402 2.329 12.702 312 HD12 LEU 91 HD12 LEU 91 -0.613 3.082 14.089 313 HD13 LEU 91 HD13 LEU 91 -0.106 1.481 13.548 314 HD21 LEU 91 HD21 LEU 91 1.700 4.054 13.822 315 HD22 LEU 91 HD22 LEU 91 2.597 3.704 12.345 316 HD23 LEU 91 HD23 LEU 91 2.211 2.405 13.471 317 H THR 92 H THR 92 0.227 1.948 8.319 318 HA THR 92 HA THR 92 1.254 -0.491 7.484 319 HB THR 92 HB THR 92 -0.397 1.562 6.012 320 HG1 THR 92 HG1 THR 92 -1.189 0.243 7.909 321 HG21 THR 92 HG21 THR 92 0.859 0.172 4.389 322 HG22 THR 92 HG22 THR 92 -0.883 -0.101 4.327 323 HG23 THR 92 HG23 THR 92 0.166 -1.268 5.132 324 H ALA 93 H ALA 93 1.938 2.754 6.244 325 HA ALA 93 HA ALA 93 3.573 1.905 4.090 326 HB1 ALA 93 HB1 ALA 93 2.543 4.057 4.019 327 HB2 ALA 93 HB2 ALA 93 4.288 4.307 4.110 328 HB3 ALA 93 HB3 ALA 93 3.290 4.526 5.546 329 H TYR 94 H TYR 94 4.176 2.872 7.422 330 HA TYR 94 HA TYR 94 6.996 2.932 7.300 331 HB2 TYR 94 HB2 TYR 94 5.351 3.795 9.114 332 HB3 TYR 94 HB3 TYR 94 5.428 2.153 9.748 333 HD1 TYR 94 HD1 TYR 94 7.715 1.224 10.349 334 HD2 TYR 94 HD2 TYR 94 7.015 5.355 9.656 335 HE1 TYR 94 HE1 TYR 94 9.782 1.773 11.576 336 HE2 TYR 94 HE2 TYR 94 9.075 5.922 10.869 337 HH TYR 94 HH TYR 94 10.579 5.015 12.473 338 H ASN 95 H ASN 95 4.615 0.429 8.013 339 HA ASN 95 HA ASN 95 6.260 -1.673 8.785 340 HB2 ASN 95 HB2 ASN 95 3.699 -1.725 7.178 341 HB3 ASN 95 HB3 ASN 95 4.469 -3.167 7.819 342 HD21 ASN 95 HD21 ASN 95 1.849 -2.038 8.357 343 HD22 ASN 95 HD22 ASN 95 1.779 -1.754 10.065 344 H PHE 96 H PHE 96 5.118 -0.919 5.494 345 HA PHE 96 HA PHE 96 6.708 -2.884 4.221 346 HB2 PHE 96 HB2 PHE 96 4.849 -2.030 3.022 347 HB3 PHE 96 HB3 PHE 96 5.369 -0.359 3.225 348 HD1 PHE 96 HD1 PHE 96 6.697 -3.557 1.821 349 HD2 PHE 96 HD2 PHE 96 6.276 0.655 1.379 350 HE1 PHE 96 HE1 PHE 96 7.847 -3.675 -0.350 351 HE2 PHE 96 HE2 PHE 96 7.421 0.543 -0.793 352 HZ PHE 96 HZ PHE 96 8.211 -1.623 -1.660 353 H LEU 97 H LEU 97 7.276 0.513 4.996 354 HA LEU 97 HA LEU 97 9.626 0.845 3.520 355 HB2 LEU 97 HB2 LEU 97 8.092 2.386 5.229 356 HB3 LEU 97 HB3 LEU 97 9.646 2.302 6.034 357 HG LEU 97 HG LEU 97 10.721 3.123 3.950 358 HD11 LEU 97 HD11 LEU 97 7.892 3.593 3.030 359 HD12 LEU 97 HD12 LEU 97 8.927 2.287 2.451 360 HD13 LEU 97 HD13 LEU 97 9.376 3.967 2.153 361 HD21 LEU 97 HD21 LEU 97 9.796 4.586 5.872 362 HD22 LEU 97 HD22 LEU 97 8.556 5.047 4.701 363 HD23 LEU 97 HD23 LEU 97 10.256 5.353 4.355 364 H GLN 98 H GLN 98 9.220 -0.151 6.926 365 HA GLN 98 HA GLN 98 12.026 -0.592 7.262 366 HB2 GLN 98 HB2 GLN 98 11.412 -1.650 9.407 367 HB3 GLN 98 HB3 GLN 98 10.702 -0.056 9.207 368 HG2 GLN 98 HG2 GLN 98 8.582 -1.063 8.598 369 HG3 GLN 98 HG3 GLN 98 9.286 -2.669 8.760 370 HE21 GLN 98 HE21 GLN 98 7.044 -1.365 10.152 371 HE22 GLN 98 HE22 GLN 98 7.407 -1.487 11.839 372 H LYS 99 H LYS 99 9.396 -2.459 6.059 373 HA LYS 99 HA LYS 99 10.534 -5.036 6.513 374 HB2 LYS 99 HB2 LYS 99 8.125 -4.716 6.243 375 HB3 LYS 99 HB3 LYS 99 8.365 -4.144 4.605 376 HG2 LYS 99 HG2 LYS 99 9.404 -6.840 5.245 377 HG3 LYS 99 HG3 LYS 99 7.653 -6.645 5.175 378 HD2 LYS 99 HD2 LYS 99 7.661 -6.489 2.946 379 HD3 LYS 99 HD3 LYS 99 9.017 -5.358 2.949 380 HE2 LYS 99 HE2 LYS 99 10.553 -7.276 3.278 381 HE3 LYS 99 HE3 LYS 99 9.174 -8.368 3.195 382 HZ1 LYS 99 HZ1 LYS 99 8.773 -7.695 0.930 383 HZ2 LYS 99 HZ2 LYS 99 10.380 -8.212 1.087 384 HZ3 LYS 99 HZ3 LYS 99 10.036 -6.559 0.999 385 H ASN 100 H ASN 100 10.440 -2.832 3.737 386 HA ASN 100 HA ASN 100 12.095 -4.742 2.247 387 HB2 ASN 100 HB2 ASN 100 9.942 -3.208 1.442 388 HB3 ASN 100 HB3 ASN 100 11.324 -2.306 0.819 389 HD21 ASN 100 HD21 ASN 100 10.983 -2.785 -1.317 390 HD22 ASN 100 HD22 ASN 100 11.152 -4.375 -1.971 391 H ASP 101 H ASP 101 12.584 -2.368 4.342 392 HA ASP 101 HA ASP 101 14.359 -1.088 4.945 393 HB2 ASP 101 HB2 ASP 101 15.747 -2.676 2.788 394 HB3 ASP 101 HB3 ASP 101 16.578 -1.507 3.805 395 H LEU 102 H LEU 102 12.599 0.327 3.566 396 HA LEU 102 HA LEU 102 14.026 1.705 1.403 397 HB2 LEU 102 HB2 LEU 102 11.183 2.044 2.361 398 HB3 LEU 102 HB3 LEU 102 11.892 2.886 1.006 399 HG LEU 102 HG LEU 102 10.943 1.301 -0.242 400 HD11 LEU 102 HD11 LEU 102 12.154 -0.748 -0.585 401 HD12 LEU 102 HD12 LEU 102 12.974 -0.543 0.962 402 HD13 LEU 102 HD13 LEU 102 13.287 0.588 -0.355 403 HD21 LEU 102 HD21 LEU 102 9.383 0.492 1.191 404 HD22 LEU 102 HD22 LEU 102 10.584 -0.009 2.372 405 HD23 LEU 102 HD23 LEU 102 10.336 -0.971 0.917 406 H ASN 103 H ASN 103 13.654 4.127 1.385 407 HA ASN 103 HA ASN 103 14.785 5.200 3.802 408 HB2 ASN 103 HB2 ASN 103 15.373 5.823 1.374 409 HB3 ASN 103 HB3 ASN 103 13.886 6.751 1.383 410 HD21 ASN 103 HD21 ASN 103 17.110 6.514 2.634 411 HD22 ASN 103 HD22 ASN 103 17.179 8.113 3.306 412 HA PRO 104 HA PRO 104 11.056 6.438 5.827 413 HB2 PRO 104 HB2 PRO 104 12.654 8.768 6.735 414 HB3 PRO 104 HB3 PRO 104 11.778 7.562 7.684 415 HG2 PRO 104 HG2 PRO 104 14.431 7.498 7.554 416 HG3 PRO 104 HG3 PRO 104 13.491 5.993 7.517 417 HD2 PRO 104 HD2 PRO 104 14.796 7.472 5.262 418 HD3 PRO 104 HD3 PRO 104 14.725 5.724 5.565 419 H MET 105 H MET 105 12.732 8.485 3.604 420 HA MET 105 HA MET 105 10.955 10.673 3.526 421 HB2 MET 105 HB2 MET 105 13.178 10.691 2.472 422 HB3 MET 105 HB3 MET 105 12.632 9.497 1.307 423 HG2 MET 105 HG2 MET 105 10.938 11.114 0.508 424 HG3 MET 105 HG3 MET 105 11.620 12.314 1.601 425 HE1 MET 105 HE1 MET 105 14.753 11.749 1.379 426 HE2 MET 105 HE2 MET 105 14.016 13.354 1.352 427 HE3 MET 105 HE3 MET 105 15.173 12.896 0.104 428 H PHE 106 H PHE 106 10.678 7.427 2.387 429 HA PHE 106 HA PHE 106 8.808 8.018 0.267 430 HB2 PHE 106 HB2 PHE 106 9.776 5.448 1.502 431 HB3 PHE 106 HB3 PHE 106 8.579 5.491 0.219 432 HD1 PHE 106 HD1 PHE 106 9.341 6.977 -1.869 433 HD2 PHE 106 HD2 PHE 106 11.977 5.093 0.906 434 HE1 PHE 106 HE1 PHE 106 11.144 7.035 -3.541 435 HE2 PHE 106 HE2 PHE 106 13.776 5.157 -0.768 436 HZ PHE 106 HZ PHE 106 13.361 6.124 -2.991 437 H LEU 107 H LEU 107 8.679 7.490 3.609 438 HA LEU 107 HA LEU 107 6.403 5.986 4.025 439 HB2 LEU 107 HB2 LEU 107 7.932 6.480 5.784 440 HB3 LEU 107 HB3 LEU 107 7.638 8.200 5.654 441 HG LEU 107 HG LEU 107 5.422 7.928 6.606 442 HD11 LEU 107 HD11 LEU 107 6.035 5.000 6.882 443 HD12 LEU 107 HD12 LEU 107 5.070 5.664 5.569 444 HD13 LEU 107 HD13 LEU 107 4.519 5.830 7.237 445 HD21 LEU 107 HD21 LEU 107 7.398 8.109 8.099 446 HD22 LEU 107 HD22 LEU 107 7.427 6.342 8.203 447 HD23 LEU 107 HD23 LEU 107 6.042 7.248 8.825 448 H ASP 108 H ASP 108 6.593 9.519 3.602 449 HA ASP 108 HA ASP 108 3.849 9.957 4.147 450 HB2 ASP 108 HB2 ASP 108 5.347 11.823 4.301 451 HB3 ASP 108 HB3 ASP 108 5.869 11.616 2.631 452 H GLN 109 H GLN 109 5.622 9.412 1.136 453 HA GLN 109 HA GLN 109 3.548 9.952 -0.662 454 HB2 GLN 109 HB2 GLN 109 5.693 9.831 -1.586 455 HB3 GLN 109 HB3 GLN 109 6.065 8.317 -0.773 456 HG2 GLN 109 HG2 GLN 109 4.516 7.151 -2.232 457 HG3 GLN 109 HG3 GLN 109 4.144 8.663 -3.062 458 HE21 GLN 109 HE21 GLN 109 5.262 6.200 -4.138 459 HE22 GLN 109 HE22 GLN 109 6.779 6.632 -4.841 460 H VAL 110 H VAL 110 4.646 6.853 0.695 461 HA VAL 110 HA VAL 110 2.665 5.287 -0.566 462 HB VAL 110 HB VAL 110 3.279 3.666 1.417 463 HG11 VAL 110 HG11 VAL 110 5.024 2.804 0.141 464 HG12 VAL 110 HG12 VAL 110 5.525 4.404 -0.378 465 HG13 VAL 110 HG13 VAL 110 4.058 3.692 -1.038 466 HG21 VAL 110 HG21 VAL 110 5.280 4.084 2.548 467 HG22 VAL 110 HG22 VAL 110 4.365 5.583 2.670 468 HG23 VAL 110 HG23 VAL 110 5.675 5.449 1.504 469 H ALA 111 H ALA 111 2.828 6.791 2.633 470 HA ALA 111 HA ALA 111 0.465 5.624 3.653 471 HB1 ALA 111 HB1 ALA 111 1.696 8.248 4.465 472 HB2 ALA 111 HB2 ALA 111 2.217 6.663 5.048 473 HB3 ALA 111 HB3 ALA 111 0.595 7.252 5.413 474 H LYS 112 H LYS 112 1.043 8.648 1.897 475 HA LYS 112 HA LYS 112 -1.585 9.638 2.193 476 HB2 LYS 112 HB2 LYS 112 0.646 10.246 0.284 477 HB3 LYS 112 HB3 LYS 112 -0.942 10.977 0.076 478 HG2 LYS 112 HG2 LYS 112 0.777 11.187 2.536 479 HG3 LYS 112 HG3 LYS 112 0.565 12.442 1.310 480 HD2 LYS 112 HD2 LYS 112 -1.899 12.357 1.821 481 HD3 LYS 112 HD3 LYS 112 -1.502 11.317 3.190 482 HE2 LYS 112 HE2 LYS 112 -0.576 14.151 2.735 483 HE3 LYS 112 HE3 LYS 112 -1.726 13.589 3.950 484 HZ1 LYS 112 HZ1 LYS 112 1.118 12.731 3.840 485 HZ2 LYS 112 HZ2 LYS 112 -0.005 12.420 5.078 486 HZ3 LYS 112 HZ3 LYS 112 0.543 13.997 4.809 487 H PHE 113 H PHE 113 -0.098 7.533 -0.230 488 HA PHE 113 HA PHE 113 -2.376 7.483 -1.919 489 HB2 PHE 113 HB2 PHE 113 0.040 6.668 -2.433 490 HB3 PHE 113 HB3 PHE 113 -0.481 5.160 -1.686 491 HD1 PHE 113 HD1 PHE 113 -2.486 3.972 -2.635 492 HD2 PHE 113 HD2 PHE 113 -0.570 7.202 -4.629 493 HE1 PHE 113 HE1 PHE 113 -3.566 3.302 -4.744 494 HE2 PHE 113 HE2 PHE 113 -1.644 6.544 -6.742 495 HZ PHE 113 HZ PHE 113 -3.147 4.594 -6.800 496 H ILE 114 H ILE 114 -1.270 5.420 0.739 497 HA ILE 114 HA ILE 114 -3.255 3.546 0.945 498 HB ILE 114 HB ILE 114 -1.781 5.117 3.021 499 HG12 ILE 114 HG12 ILE 114 -1.671 2.158 2.598 500 HG13 ILE 114 HG13 ILE 114 -0.804 3.231 1.501 501 HG21 ILE 114 HG21 ILE 114 -4.184 4.263 3.663 502 HG22 ILE 114 HG22 ILE 114 -2.831 4.123 4.771 503 HG23 ILE 114 HG23 ILE 114 -3.338 2.723 3.830 504 HD11 ILE 114 HD11 ILE 114 0.408 2.243 3.552 505 HD12 ILE 114 HD12 ILE 114 -0.453 3.504 4.438 506 HD13 ILE 114 HD13 ILE 114 0.637 3.938 3.133 507 H ILE 115 H ILE 115 -3.258 6.811 2.290 508 HA ILE 115 HA ILE 115 -5.767 6.764 3.469 509 HB ILE 115 HB ILE 115 -4.115 9.041 2.413 510 HG12 ILE 115 HG12 ILE 115 -4.815 8.338 5.252 511 HG13 ILE 115 HG13 ILE 115 -3.460 7.580 4.424 512 HG21 ILE 115 HG21 ILE 115 -6.314 9.889 2.290 513 HG22 ILE 115 HG22 ILE 115 -5.674 10.460 3.831 514 HG23 ILE 115 HG23 ILE 115 -6.786 9.097 3.790 515 HD11 ILE 115 HD11 ILE 115 -3.576 10.532 4.379 516 HD12 ILE 115 HD12 ILE 115 -2.193 9.435 4.513 517 HD13 ILE 115 HD13 ILE 115 -3.210 9.754 5.918 518 H ASP 116 H ASP 116 -4.847 7.879 0.209 519 HA ASP 116 HA ASP 116 -7.398 8.905 -0.389 520 HB2 ASP 116 HB2 ASP 116 -5.301 9.479 -1.637 521 HB3 ASP 116 HB3 ASP 116 -5.411 7.904 -2.427 522 H ASN 117 H ASN 117 -6.099 5.679 -0.627 523 HA ASN 117 HA ASN 117 -7.982 4.502 -2.312 524 HB2 ASN 117 HB2 ASN 117 -6.053 3.251 -1.541 525 HB3 ASN 117 HB3 ASN 117 -6.608 3.342 0.128 526 HD21 ASN 117 HD21 ASN 117 -8.261 1.998 0.813 527 HD22 ASN 117 HD22 ASN 117 -8.832 0.664 -0.124 528 H THR 118 H THR 118 -8.197 5.255 1.142 529 HA THR 118 HA THR 118 -10.978 4.313 1.172 530 HB THR 118 HB THR 118 -10.703 4.796 3.696 531 HG1 THR 118 HG1 THR 118 -8.554 4.867 4.399 532 HG21 THR 118 HG21 THR 118 -9.080 2.607 2.381 533 HG22 THR 118 HG22 THR 118 -10.801 2.537 2.767 534 HG23 THR 118 HG23 THR 118 -9.609 2.628 4.064 535 H LYS 119 H LYS 119 -9.125 7.139 0.971 536 HA LYS 119 HA LYS 119 -11.065 8.934 2.110 537 HB2 LYS 119 HB2 LYS 119 -8.740 9.561 2.241 538 HB3 LYS 119 HB3 LYS 119 -8.557 9.389 0.497 539 HG2 LYS 119 HG2 LYS 119 -9.885 11.299 0.075 540 HG3 LYS 119 HG3 LYS 119 -10.391 11.403 1.766 541 HD2 LYS 119 HD2 LYS 119 -8.701 13.059 1.382 542 HD3 LYS 119 HD3 LYS 119 -8.023 11.779 2.391 543 HE2 LYS 119 HE2 LYS 119 -6.840 10.851 0.536 544 HE3 LYS 119 HE3 LYS 119 -7.666 11.916 -0.601 545 HZ1 LYS 119 HZ1 LYS 119 -5.830 12.830 1.555 546 HZ2 LYS 119 HZ2 LYS 119 -6.555 13.801 0.370 547 HZ3 LYS 119 HZ3 LYS 119 -5.394 12.651 -0.078 548 H GLY 120 H GLY 120 -9.655 9.410 -1.090 549 HA2 GLY 120 HA2 GLY 120 -10.950 8.837 -3.107 550 HA3 GLY 120 HA3 GLY 120 -12.381 9.337 -2.218 551 H GLN 121 H GLN 121 -9.176 10.750 -2.934 552 HA GLN 121 HA GLN 121 -10.600 13.139 -3.921 553 HB2 GLN 121 HB2 GLN 121 -8.182 12.898 -2.172 554 HB3 GLN 121 HB3 GLN 121 -8.355 14.294 -3.228 555 HG2 GLN 121 HG2 GLN 121 -10.356 14.967 -2.150 556 HG3 GLN 121 HG3 GLN 121 -10.468 13.446 -1.267 557 HE21 GLN 121 HE21 GLN 121 -10.585 14.613 0.676 558 HE22 GLN 121 HE22 GLN 121 -9.173 15.305 1.400 559 H MET 122 H MET 122 -7.824 10.997 -4.268 560 HA MET 122 HA MET 122 -7.073 12.270 -6.786 561 HB2 MET 122 HB2 MET 122 -5.264 11.622 -5.307 562 HB3 MET 122 HB3 MET 122 -5.851 9.965 -5.257 563 HG2 MET 122 HG2 MET 122 -3.983 10.030 -6.717 564 HG3 MET 122 HG3 MET 122 -5.424 9.812 -7.705 565 HE1 MET 122 HE1 MET 122 -2.629 12.311 -6.543 566 HE2 MET 122 HE2 MET 122 -4.103 13.106 -5.996 567 HE3 MET 122 HE3 MET 122 -3.154 13.813 -7.302 568 H LEU 123 H LEU 123 -7.764 8.929 -5.718 569 HA LEU 123 HA LEU 123 -8.681 8.385 -8.471 570 HB2 LEU 123 HB2 LEU 123 -7.412 6.566 -6.437 571 HB3 LEU 123 HB3 LEU 123 -8.107 6.000 -7.945 572 HG LEU 123 HG LEU 123 -5.755 7.876 -7.669 573 HD11 LEU 123 HD11 LEU 123 -5.926 5.003 -8.562 574 HD12 LEU 123 HD12 LEU 123 -5.216 5.583 -7.055 575 HD13 LEU 123 HD13 LEU 123 -4.478 6.006 -8.600 576 HD21 LEU 123 HD21 LEU 123 -5.551 7.657 -10.093 577 HD22 LEU 123 HD22 LEU 123 -7.097 8.382 -9.649 578 HD23 LEU 123 HD23 LEU 123 -7.025 6.688 -10.135 579 H GLY 124 H GLY 124 -9.758 8.707 -5.318 580 HA2 GLY 124 HA2 GLY 124 -11.832 6.701 -5.408 581 HA3 GLY 124 HA3 GLY 124 -11.651 7.958 -4.190 582 H LEU 125 H LEU 125 -12.618 9.955 -4.501 583 HA LEU 125 HA LEU 125 -14.142 11.460 -5.170 584 HB2 LEU 125 HB2 LEU 125 -13.648 10.198 -7.859 585 HB3 LEU 125 HB3 LEU 125 -14.732 11.554 -7.630 586 HG LEU 125 HG LEU 125 -12.731 12.795 -6.638 587 HD11 LEU 125 HD11 LEU 125 -11.247 10.566 -8.015 588 HD12 LEU 125 HD12 LEU 125 -11.289 10.870 -6.277 589 HD13 LEU 125 HD13 LEU 125 -10.534 12.041 -7.359 590 HD21 LEU 125 HD21 LEU 125 -13.679 13.261 -8.843 591 HD22 LEU 125 HD22 LEU 125 -12.653 12.010 -9.546 592 HD23 LEU 125 HD23 LEU 125 -11.924 13.449 -8.833 593 H GLY 126 H GLY 126 -15.296 9.134 -7.562 594 HA2 GLY 126 HA2 GLY 126 -17.367 8.143 -7.779 595 HA3 GLY 126 HA3 GLY 126 -17.520 8.234 -6.030 596 H ASN 127 H ASN 127 -17.158 10.759 -8.479 597 HA ASN 127 HA ASN 127 -19.379 12.191 -7.207 598 HB2 ASN 127 HB2 ASN 127 -18.444 14.201 -8.157 599 HB3 ASN 127 HB3 ASN 127 -17.145 13.305 -7.375 600 HD21 ASN 127 HD21 ASN 127 -18.399 14.503 -10.367 601 HD22 ASN 127 HD22 ASN 127 -17.045 14.058 -11.348 602 HA PRO 128 HA PRO 128 -21.897 11.947 -10.898 603 HB2 PRO 128 HB2 PRO 128 -22.811 14.682 -10.405 604 HB3 PRO 128 HB3 PRO 128 -23.722 13.173 -10.328 605 HG2 PRO 128 HG2 PRO 128 -23.104 14.606 -8.118 606 HG3 PRO 128 HG3 PRO 128 -23.239 12.837 -8.103 607 HD2 PRO 128 HD2 PRO 128 -20.785 14.554 -8.194 608 HD3 PRO 128 HD3 PRO 128 -21.085 13.064 -7.274 Start of MODEL 2 1 H1 ALA 49 H1 ALA 49 -10.637 -16.065 -12.743 2 H2 ALA 49 H2 ALA 49 -9.117 -15.909 -13.471 3 H3 ALA 49 H3 ALA 49 -10.516 -15.935 -14.431 4 HA ALA 49 HA ALA 49 -11.215 -13.843 -13.692 5 HB1 ALA 49 HB1 ALA 49 -10.117 -12.613 -11.924 6 HB2 ALA 49 HB2 ALA 49 -8.927 -13.900 -11.731 7 HB3 ALA 49 HB3 ALA 49 -10.616 -14.196 -11.322 8 H ASN 50 H ASN 50 -10.619 -12.159 -14.971 9 HA ASN 50 HA ASN 50 -8.031 -12.423 -16.315 10 HB2 ASN 50 HB2 ASN 50 -8.892 -11.057 -18.062 11 HB3 ASN 50 HB3 ASN 50 -10.165 -12.197 -17.650 12 HD21 ASN 50 HD21 ASN 50 -10.331 -9.645 -18.989 13 HD22 ASN 50 HD22 ASN 50 -11.423 -8.670 -18.053 14 H GLN 51 H GLN 51 -9.337 -10.779 -13.754 15 HA GLN 51 HA GLN 51 -7.597 -8.466 -14.020 16 HB2 GLN 51 HB2 GLN 51 -8.515 -7.825 -11.795 17 HB3 GLN 51 HB3 GLN 51 -9.754 -8.045 -13.021 18 HG2 GLN 51 HG2 GLN 51 -10.205 -10.292 -12.111 19 HG3 GLN 51 HG3 GLN 51 -9.027 -9.984 -10.839 20 HE21 GLN 51 HE21 GLN 51 -9.807 -7.153 -10.612 21 HE22 GLN 51 HE22 GLN 51 -11.339 -7.150 -9.797 22 H GLN 52 H GLN 52 -5.775 -8.120 -12.736 23 HA GLN 52 HA GLN 52 -4.416 -10.626 -12.243 24 HB2 GLN 52 HB2 GLN 52 -3.356 -7.795 -12.170 25 HB3 GLN 52 HB3 GLN 52 -2.386 -9.263 -12.134 26 HG2 GLN 52 HG2 GLN 52 -4.164 -8.376 -14.397 27 HG3 GLN 52 HG3 GLN 52 -2.404 -8.262 -14.353 28 HE21 GLN 52 HE21 GLN 52 -1.179 -10.085 -14.679 29 HE22 GLN 52 HE22 GLN 52 -1.851 -11.587 -15.237 30 H THR 53 H THR 53 -5.692 -7.974 -10.364 31 HA THR 53 HA THR 53 -4.364 -8.923 -7.955 32 HB THR 53 HB THR 53 -5.725 -7.107 -6.844 33 HG1 THR 53 HG1 THR 53 -7.049 -5.923 -8.017 34 HG21 THR 53 HG21 THR 53 -4.274 -5.355 -7.623 35 HG22 THR 53 HG22 THR 53 -3.954 -6.225 -9.119 36 HG23 THR 53 HG23 THR 53 -3.368 -6.865 -7.585 37 H SER 54 H SER 54 -7.714 -8.540 -9.115 38 HA SER 54 HA SER 54 -9.628 -9.664 -8.667 39 HB2 SER 54 HB2 SER 54 -7.782 -11.833 -7.636 40 HB3 SER 54 HB3 SER 54 -9.489 -12.029 -8.043 41 HG SER 54 HG SER 54 -7.476 -11.190 -9.866 42 H GLY 55 H GLY 55 -9.381 -7.778 -6.968 43 HA2 GLY 55 HA2 GLY 55 -10.353 -7.123 -4.977 44 HA3 GLY 55 HA3 GLY 55 -10.586 -8.820 -4.573 45 H LYS 56 H LYS 56 -8.757 -10.005 -3.757 46 HA LYS 56 HA LYS 56 -7.171 -8.349 -1.976 47 HB2 LYS 56 HB2 LYS 56 -7.669 -11.323 -2.128 48 HB3 LYS 56 HB3 LYS 56 -6.574 -10.581 -0.972 49 HG2 LYS 56 HG2 LYS 56 -9.326 -9.512 -1.102 50 HG3 LYS 56 HG3 LYS 56 -9.106 -11.115 -0.392 51 HD2 LYS 56 HD2 LYS 56 -7.538 -10.196 1.212 52 HD3 LYS 56 HD3 LYS 56 -7.647 -8.607 0.445 53 HE2 LYS 56 HE2 LYS 56 -9.961 -8.426 1.026 54 HE3 LYS 56 HE3 LYS 56 -9.986 -10.076 1.646 55 HZ1 LYS 56 HZ1 LYS 56 -8.497 -7.773 2.808 56 HZ2 LYS 56 HZ2 LYS 56 -8.374 -9.374 3.353 57 HZ3 LYS 56 HZ3 LYS 56 -9.854 -8.554 3.471 58 H VAL 57 H VAL 57 -5.006 -8.177 -2.061 59 HA VAL 57 HA VAL 57 -3.807 -8.905 -4.626 60 HB VAL 57 HB VAL 57 -2.567 -7.179 -2.503 61 HG11 VAL 57 HG11 VAL 57 -2.189 -7.482 -5.463 62 HG12 VAL 57 HG12 VAL 57 -1.005 -7.665 -4.158 63 HG13 VAL 57 HG13 VAL 57 -1.614 -6.066 -4.579 64 HG21 VAL 57 HG21 VAL 57 -3.740 -5.326 -3.072 65 HG22 VAL 57 HG22 VAL 57 -4.988 -6.555 -3.278 66 HG23 VAL 57 HG23 VAL 57 -4.135 -5.923 -4.688 67 H LEU 58 H LEU 58 -2.607 -10.650 -4.750 68 HA LEU 58 HA LEU 58 -1.215 -11.712 -2.454 69 HB2 LEU 58 HB2 LEU 58 -2.140 -13.186 -4.186 70 HB3 LEU 58 HB3 LEU 58 -1.066 -12.476 -5.376 71 HG LEU 58 HG LEU 58 0.841 -13.290 -3.819 72 HD11 LEU 58 HD11 LEU 58 -1.138 -15.354 -2.980 73 HD12 LEU 58 HD12 LEU 58 -0.995 -13.859 -2.060 74 HD13 LEU 58 HD13 LEU 58 0.413 -14.914 -2.251 75 HD21 LEU 58 HD21 LEU 58 0.818 -15.498 -4.889 76 HD22 LEU 58 HD22 LEU 58 0.418 -14.212 -6.025 77 HD23 LEU 58 HD23 LEU 58 -0.857 -15.239 -5.375 78 H TYR 59 H TYR 59 0.525 -10.676 -1.744 79 HA TYR 59 HA TYR 59 2.436 -9.641 -3.733 80 HB2 TYR 59 HB2 TYR 59 2.761 -7.737 -2.515 81 HB3 TYR 59 HB3 TYR 59 1.158 -8.103 -1.896 82 HD1 TYR 59 HD1 TYR 59 1.013 -9.418 0.313 83 HD2 TYR 59 HD2 TYR 59 4.588 -7.568 -1.069 84 HE1 TYR 59 HE1 TYR 59 1.952 -9.535 2.588 85 HE2 TYR 59 HE2 TYR 59 5.530 -7.673 1.197 86 HH TYR 59 HH TYR 59 4.741 -7.823 3.514 87 H GLU 60 H GLU 60 4.200 -10.811 -3.843 88 HA GLU 60 HA GLU 60 5.983 -12.092 -3.316 89 HB2 GLU 60 HB2 GLU 60 5.701 -10.979 -0.544 90 HB3 GLU 60 HB3 GLU 60 7.171 -11.544 -1.329 91 HG2 GLU 60 HG2 GLU 60 5.545 -9.197 -2.240 92 HG3 GLU 60 HG3 GLU 60 6.978 -9.084 -1.225 93 H GLY 61 H GLY 61 3.183 -13.067 -2.654 94 HA2 GLY 61 HA2 GLY 61 2.820 -15.447 -2.377 95 HA3 GLY 61 HA3 GLY 61 4.055 -15.435 -1.137 96 H LYS 62 H LYS 62 2.502 -12.748 -0.334 97 HA LYS 62 HA LYS 62 0.514 -14.198 1.304 98 HB2 LYS 62 HB2 LYS 62 2.416 -13.035 2.513 99 HB3 LYS 62 HB3 LYS 62 1.739 -11.522 1.933 100 HG2 LYS 62 HG2 LYS 62 -0.282 -11.879 3.155 101 HG3 LYS 62 HG3 LYS 62 0.247 -13.495 3.625 102 HD2 LYS 62 HD2 LYS 62 1.709 -10.970 4.374 103 HD3 LYS 62 HD3 LYS 62 0.508 -11.756 5.402 104 HE2 LYS 62 HE2 LYS 62 1.867 -13.803 5.388 105 HE3 LYS 62 HE3 LYS 62 3.079 -12.981 4.407 106 HZ1 LYS 62 HZ1 LYS 62 2.227 -12.084 7.105 107 HZ2 LYS 62 HZ2 LYS 62 3.510 -11.462 6.182 108 HZ3 LYS 62 HZ3 LYS 62 3.597 -13.038 6.807 109 H GLU 63 H GLU 63 -1.521 -13.194 1.651 110 HA GLU 63 HA GLU 63 -2.245 -11.420 -0.577 111 HB2 GLU 63 HB2 GLU 63 -3.905 -13.384 0.989 112 HB3 GLU 63 HB3 GLU 63 -4.599 -12.214 -0.123 113 HG2 GLU 63 HG2 GLU 63 -3.114 -13.207 -1.899 114 HG3 GLU 63 HG3 GLU 63 -2.748 -14.493 -0.750 115 H PHE 64 H PHE 64 -3.264 -9.542 -0.276 116 HA PHE 64 HA PHE 64 -4.065 -8.756 2.430 117 HB2 PHE 64 HB2 PHE 64 -1.892 -7.593 0.799 118 HB3 PHE 64 HB3 PHE 64 -2.943 -6.438 1.590 119 HD1 PHE 64 HD1 PHE 64 -3.223 -6.603 4.096 120 HD2 PHE 64 HD2 PHE 64 -0.224 -8.740 1.980 121 HE1 PHE 64 HE1 PHE 64 -1.987 -6.936 6.196 122 HE2 PHE 64 HE2 PHE 64 1.017 -9.086 4.075 123 HZ PHE 64 HZ PHE 64 0.135 -8.181 6.188 124 H ASP 65 H ASP 65 -5.194 -6.564 2.349 125 HA ASP 65 HA ASP 65 -7.392 -6.614 0.631 126 HB2 ASP 65 HB2 ASP 65 -6.190 -4.404 2.292 127 HB3 ASP 65 HB3 ASP 65 -7.584 -4.108 1.263 128 H TYR 66 H TYR 66 -4.977 -4.023 0.626 129 HA TYR 66 HA TYR 66 -4.774 -4.221 -2.288 130 HB2 TYR 66 HB2 TYR 66 -5.650 -1.824 -0.709 131 HB3 TYR 66 HB3 TYR 66 -4.774 -1.608 -2.218 132 HD1 TYR 66 HD1 TYR 66 -7.893 -2.853 -0.706 133 HD2 TYR 66 HD2 TYR 66 -5.804 -2.057 -4.324 134 HE1 TYR 66 HE1 TYR 66 -9.988 -3.113 -1.970 135 HE2 TYR 66 HE2 TYR 66 -7.888 -2.313 -5.593 136 HH TYR 66 HH TYR 66 -10.939 -2.384 -4.123 137 H VAL 67 H VAL 67 -2.651 -4.738 -2.466 138 HA VAL 67 HA VAL 67 -0.752 -3.110 -0.953 139 HB VAL 67 HB VAL 67 0.780 -4.730 -1.086 140 HG11 VAL 67 HG11 VAL 67 -1.277 -5.806 -0.268 141 HG12 VAL 67 HG12 VAL 67 -0.116 -6.931 -0.958 142 HG13 VAL 67 HG13 VAL 67 -1.545 -6.459 -1.886 143 HG21 VAL 67 HG21 VAL 67 -0.072 -5.952 -3.668 144 HG22 VAL 67 HG22 VAL 67 1.545 -5.837 -2.948 145 HG23 VAL 67 HG23 VAL 67 0.790 -4.415 -3.673 146 H PHE 68 H PHE 68 0.532 -1.652 -1.906 147 HA PHE 68 HA PHE 68 -0.191 -0.878 -4.612 148 HB2 PHE 68 HB2 PHE 68 -0.134 0.845 -2.869 149 HB3 PHE 68 HB3 PHE 68 1.550 0.470 -2.540 150 HD1 PHE 68 HD1 PHE 68 -0.426 1.165 -5.642 151 HD2 PHE 68 HD2 PHE 68 2.959 2.084 -3.247 152 HE1 PHE 68 HE1 PHE 68 0.301 2.814 -7.319 153 HE2 PHE 68 HE2 PHE 68 3.698 3.743 -4.917 154 HZ PHE 68 HZ PHE 68 2.366 4.106 -6.957 155 H SER 69 H SER 69 1.218 -0.787 -6.316 156 HA SER 69 HA SER 69 3.716 -2.263 -5.939 157 HB2 SER 69 HB2 SER 69 2.145 -3.175 -7.619 158 HB3 SER 69 HB3 SER 69 2.224 -1.658 -8.502 159 HG SER 69 HG SER 69 3.891 -2.490 -9.466 160 H ILE 70 H ILE 70 5.492 -1.140 -5.806 161 HA ILE 70 HA ILE 70 5.442 1.654 -6.698 162 HB ILE 70 HB ILE 70 7.312 0.411 -4.677 163 HG12 ILE 70 HG12 ILE 70 4.659 1.807 -4.331 164 HG13 ILE 70 HG13 ILE 70 5.130 0.214 -3.742 165 HG21 ILE 70 HG21 ILE 70 8.353 2.339 -5.384 166 HG22 ILE 70 HG22 ILE 70 7.388 2.947 -4.033 167 HG23 ILE 70 HG23 ILE 70 6.833 3.176 -5.692 168 HD11 ILE 70 HD11 ILE 70 6.410 1.115 -2.020 169 HD12 ILE 70 HD12 ILE 70 4.972 2.130 -2.070 170 HD13 ILE 70 HD13 ILE 70 6.484 2.702 -2.776 171 H ASP 71 H ASP 71 6.488 2.118 -8.409 172 HA ASP 71 HA ASP 71 8.866 0.573 -9.212 173 HB2 ASP 71 HB2 ASP 71 7.132 0.487 -10.898 174 HB3 ASP 71 HB3 ASP 71 6.909 2.229 -10.827 175 H VAL 72 H VAL 72 10.751 1.682 -9.708 176 HA VAL 72 HA VAL 72 10.757 4.576 -9.628 177 HB VAL 72 HB VAL 72 11.074 4.109 -7.285 178 HG11 VAL 72 HG11 VAL 72 13.063 2.815 -6.507 179 HG12 VAL 72 HG12 VAL 72 13.283 2.282 -8.175 180 HG13 VAL 72 HG13 VAL 72 11.817 1.847 -7.297 181 HG21 VAL 72 HG21 VAL 72 13.244 5.176 -6.900 182 HG22 VAL 72 HG22 VAL 72 12.354 5.958 -8.208 183 HG23 VAL 72 HG23 VAL 72 13.691 4.868 -8.580 184 H ASN 73 H ASN 73 12.843 1.707 -9.715 185 HA ASN 73 HA ASN 73 14.282 2.923 -11.978 186 HB2 ASN 73 HB2 ASN 73 15.719 2.474 -10.021 187 HB3 ASN 73 HB3 ASN 73 15.216 0.788 -10.040 188 HD21 ASN 73 HD21 ASN 73 17.237 -0.036 -10.370 189 HD22 ASN 73 HD22 ASN 73 18.113 0.160 -11.855 190 H GLU 74 H GLU 74 14.420 1.739 -13.867 191 HA GLU 74 HA GLU 74 12.519 -0.347 -14.249 192 HB2 GLU 74 HB2 GLU 74 14.803 0.363 -16.094 193 HB3 GLU 74 HB3 GLU 74 13.293 -0.431 -16.520 194 HG2 GLU 74 HG2 GLU 74 12.757 1.634 -17.227 195 HG3 GLU 74 HG3 GLU 74 12.310 1.849 -15.536 196 H GLY 75 H GLY 75 12.816 -2.260 -13.324 197 HA2 GLY 75 HA2 GLY 75 13.902 -4.393 -13.291 198 HA3 GLY 75 HA3 GLY 75 15.427 -3.577 -13.622 199 H GLY 76 H GLY 76 15.566 -5.314 -11.642 200 HA2 GLY 76 HA2 GLY 76 16.436 -5.286 -9.472 201 HA3 GLY 76 HA3 GLY 76 15.876 -3.628 -9.292 202 HA PRO 77 HA PRO 77 13.044 -6.412 -6.873 203 HB2 PRO 77 HB2 PRO 77 13.106 -4.975 -4.576 204 HB3 PRO 77 HB3 PRO 77 14.304 -6.216 -4.960 205 HG2 PRO 77 HG2 PRO 77 14.506 -3.242 -5.225 206 HG3 PRO 77 HG3 PRO 77 15.711 -4.399 -4.628 207 HD2 PRO 77 HD2 PRO 77 15.769 -3.366 -7.143 208 HD3 PRO 77 HD3 PRO 77 16.382 -4.982 -6.746 209 H SER 78 H SER 78 10.914 -6.111 -7.029 210 HA SER 78 HA SER 78 9.851 -3.446 -7.503 211 HB2 SER 78 HB2 SER 78 9.126 -5.461 -8.847 212 HB3 SER 78 HB3 SER 78 8.358 -6.084 -7.388 213 HG SER 78 HG SER 78 7.764 -3.537 -8.494 214 H TYR 79 H TYR 79 8.553 -2.324 -6.060 215 HA TYR 79 HA TYR 79 8.665 -3.382 -3.323 216 HB2 TYR 79 HB2 TYR 79 8.146 -0.554 -4.274 217 HB3 TYR 79 HB3 TYR 79 8.417 -1.057 -2.612 218 HD1 TYR 79 HD1 TYR 79 10.720 -2.507 -2.383 219 HD2 TYR 79 HD2 TYR 79 9.914 0.480 -5.302 220 HE1 TYR 79 HE1 TYR 79 13.135 -2.156 -2.683 221 HE2 TYR 79 HE2 TYR 79 12.326 0.836 -5.612 222 HH TYR 79 HH TYR 79 14.430 0.513 -4.268 223 H LYS 80 H LYS 80 6.806 -4.138 -2.425 224 HA LYS 80 HA LYS 80 4.302 -3.062 -3.535 225 HB2 LYS 80 HB2 LYS 80 4.612 -5.783 -2.246 226 HB3 LYS 80 HB3 LYS 80 3.185 -5.154 -3.055 227 HG2 LYS 80 HG2 LYS 80 5.805 -5.883 -4.322 228 HG3 LYS 80 HG3 LYS 80 4.279 -6.734 -4.483 229 HD2 LYS 80 HD2 LYS 80 4.314 -3.875 -5.239 230 HD3 LYS 80 HD3 LYS 80 5.172 -4.991 -6.301 231 HE2 LYS 80 HE2 LYS 80 2.279 -5.205 -5.468 232 HE3 LYS 80 HE3 LYS 80 2.869 -4.643 -7.025 233 HZ1 LYS 80 HZ1 LYS 80 2.147 -7.001 -7.020 234 HZ2 LYS 80 HZ2 LYS 80 3.425 -7.359 -5.958 235 HZ3 LYS 80 HZ3 LYS 80 3.757 -6.773 -7.513 236 H LEU 81 H LEU 81 2.860 -2.193 -2.187 237 HA LEU 81 HA LEU 81 3.580 -2.096 0.675 238 HB2 LEU 81 HB2 LEU 81 3.390 -0.042 -1.030 239 HB3 LEU 81 HB3 LEU 81 1.721 -0.125 -0.531 240 HG LEU 81 HG LEU 81 4.083 0.830 0.926 241 HD11 LEU 81 HD11 LEU 81 2.509 2.366 1.821 242 HD12 LEU 81 HD12 LEU 81 1.163 1.373 1.274 243 HD13 LEU 81 HD13 LEU 81 2.179 2.199 0.094 244 HD21 LEU 81 HD21 LEU 81 3.142 0.303 3.126 245 HD22 LEU 81 HD22 LEU 81 3.607 -1.157 2.252 246 HD23 LEU 81 HD23 LEU 81 1.907 -0.693 2.359 247 HA PRO 82 HA PRO 82 -0.412 -4.425 0.682 248 HB2 PRO 82 HB2 PRO 82 0.728 -5.319 3.244 249 HB3 PRO 82 HB3 PRO 82 0.074 -6.270 1.910 250 HG2 PRO 82 HG2 PRO 82 2.677 -6.207 2.375 251 HG3 PRO 82 HG3 PRO 82 2.052 -6.204 0.717 252 HD2 PRO 82 HD2 PRO 82 3.069 -3.894 2.341 253 HD3 PRO 82 HD3 PRO 82 3.395 -4.309 0.651 254 H TYR 83 H TYR 83 -2.044 -3.150 1.244 255 HA TYR 83 HA TYR 83 -2.025 -1.903 3.906 256 HB2 TYR 83 HB2 TYR 83 -1.893 -0.139 2.333 257 HB3 TYR 83 HB3 TYR 83 -3.033 -0.914 1.242 258 HD1 TYR 83 HD1 TYR 83 -3.102 0.145 4.830 259 HD2 TYR 83 HD2 TYR 83 -4.998 0.253 1.033 260 HE1 TYR 83 HE1 TYR 83 -4.903 1.521 5.780 261 HE2 TYR 83 HE2 TYR 83 -6.817 1.618 1.971 262 HH TYR 83 HH TYR 83 -6.624 2.970 5.177 263 H ASN 84 H ASN 84 -3.563 -2.612 5.245 264 HA ASN 84 HA ASN 84 -5.952 -3.935 4.165 265 HB2 ASN 84 HB2 ASN 84 -5.273 -3.479 7.087 266 HB3 ASN 84 HB3 ASN 84 -6.461 -4.593 6.431 267 HD21 ASN 84 HD21 ASN 84 -3.195 -4.058 7.254 268 HD22 ASN 84 HD22 ASN 84 -2.607 -5.648 6.882 269 H THR 85 H THR 85 -7.984 -3.007 4.399 270 HA THR 85 HA THR 85 -7.910 -0.207 4.164 271 HB THR 85 HB THR 85 -10.414 -0.389 4.029 272 HG1 THR 85 HG1 THR 85 -10.009 -3.205 4.071 273 HG21 THR 85 HG21 THR 85 -8.586 -0.857 2.200 274 HG22 THR 85 HG22 THR 85 -10.292 -1.161 1.866 275 HG23 THR 85 HG23 THR 85 -9.222 -2.498 2.291 276 H SER 86 H SER 86 -7.951 -2.013 6.959 277 HA SER 86 HA SER 86 -9.335 0.031 8.522 278 HB2 SER 86 HB2 SER 86 -8.876 -1.712 10.379 279 HB3 SER 86 HB3 SER 86 -10.079 -2.102 9.152 280 HG SER 86 HG SER 86 -7.388 -3.012 9.326 281 H ASP 87 H ASP 87 -6.353 -0.266 7.330 282 HA ASP 87 HA ASP 87 -4.839 0.188 9.795 283 HB2 ASP 87 HB2 ASP 87 -4.209 -0.721 7.060 284 HB3 ASP 87 HB3 ASP 87 -2.990 0.303 7.807 285 H ASP 88 H ASP 88 -3.389 1.936 10.037 286 HA ASP 88 HA ASP 88 -4.305 4.426 8.842 287 HB2 ASP 88 HB2 ASP 88 -2.188 3.919 10.948 288 HB3 ASP 88 HB3 ASP 88 -2.729 5.503 10.420 289 HA PRO 89 HA PRO 89 -1.523 4.511 5.532 290 HB2 PRO 89 HB2 PRO 89 -0.767 7.192 5.629 291 HB3 PRO 89 HB3 PRO 89 -2.164 6.542 4.777 292 HG2 PRO 89 HG2 PRO 89 -2.008 7.843 7.447 293 HG3 PRO 89 HG3 PRO 89 -3.292 7.923 6.227 294 HD2 PRO 89 HD2 PRO 89 -3.553 6.449 8.429 295 HD3 PRO 89 HD3 PRO 89 -4.203 5.895 6.879 296 H TRP 90 H TRP 90 -0.194 6.735 7.964 297 HA TRP 90 HA TRP 90 2.438 6.349 7.050 298 HB2 TRP 90 HB2 TRP 90 1.434 7.517 9.642 299 HB3 TRP 90 HB3 TRP 90 3.105 7.591 9.098 300 HD1 TRP 90 HD1 TRP 90 3.596 9.115 6.891 301 HE1 TRP 90 HE1 TRP 90 2.351 11.177 5.966 302 HE3 TRP 90 HE3 TRP 90 -0.827 8.585 9.414 303 HZ2 TRP 90 HZ2 TRP 90 -0.169 12.404 6.278 304 HZ3 TRP 90 HZ3 TRP 90 -2.599 10.251 9.041 305 HH2 TRP 90 HH2 TRP 90 -2.276 12.118 7.508 306 H LEU 91 H LEU 91 0.514 4.618 9.351 307 HA LEU 91 HA LEU 91 2.716 3.328 10.644 308 HB2 LEU 91 HB2 LEU 91 -0.156 2.420 10.479 309 HB3 LEU 91 HB3 LEU 91 1.052 1.850 11.612 310 HG LEU 91 HG LEU 91 -0.202 4.586 11.537 311 HD11 LEU 91 HD11 LEU 91 -1.566 2.834 12.558 312 HD12 LEU 91 HD12 LEU 91 -0.991 3.991 13.763 313 HD13 LEU 91 HD13 LEU 91 -0.224 2.407 13.621 314 HD21 LEU 91 HD21 LEU 91 1.214 5.196 13.367 315 HD22 LEU 91 HD22 LEU 91 2.226 4.654 12.025 316 HD23 LEU 91 HD23 LEU 91 1.943 3.589 13.399 317 H THR 92 H THR 92 0.332 2.295 8.216 318 HA THR 92 HA THR 92 1.409 -0.225 7.646 319 HB THR 92 HB THR 92 -0.135 1.672 5.879 320 HG1 THR 92 HG1 THR 92 -0.894 -0.476 7.585 321 HG21 THR 92 HG21 THR 92 0.925 0.038 4.474 322 HG22 THR 92 HG22 THR 92 -0.779 -0.394 4.641 323 HG23 THR 92 HG23 THR 92 0.448 -1.269 5.557 324 H ALA 93 H ALA 93 2.026 2.938 6.226 325 HA ALA 93 HA ALA 93 3.757 2.067 4.180 326 HB1 ALA 93 HB1 ALA 93 2.669 4.190 4.045 327 HB2 ALA 93 HB2 ALA 93 4.409 4.472 4.125 328 HB3 ALA 93 HB3 ALA 93 3.407 4.720 5.554 329 H TYR 94 H TYR 94 4.247 3.182 7.483 330 HA TYR 94 HA TYR 94 7.064 3.270 7.452 331 HB2 TYR 94 HB2 TYR 94 5.338 4.199 9.161 332 HB3 TYR 94 HB3 TYR 94 5.421 2.596 9.881 333 HD1 TYR 94 HD1 TYR 94 7.736 1.747 10.573 334 HD2 TYR 94 HD2 TYR 94 6.904 5.823 9.736 335 HE1 TYR 94 HE1 TYR 94 9.723 2.409 11.868 336 HE2 TYR 94 HE2 TYR 94 8.889 6.503 11.017 337 HH TYR 94 HH TYR 94 11.323 4.448 11.863 338 H ASN 95 H ASN 95 4.701 0.766 8.249 339 HA ASN 95 HA ASN 95 6.409 -1.248 9.140 340 HB2 ASN 95 HB2 ASN 95 3.779 -1.362 7.679 341 HB3 ASN 95 HB3 ASN 95 4.629 -2.822 8.155 342 HD21 ASN 95 HD21 ASN 95 2.037 -1.768 9.034 343 HD22 ASN 95 HD22 ASN 95 2.157 -1.643 10.755 344 H PHE 96 H PHE 96 5.251 -0.648 5.821 345 HA PHE 96 HA PHE 96 6.838 -2.671 4.653 346 HB2 PHE 96 HB2 PHE 96 4.998 -1.895 3.385 347 HB3 PHE 96 HB3 PHE 96 5.521 -0.217 3.492 348 HD1 PHE 96 HD1 PHE 96 6.887 -3.494 2.316 349 HD2 PHE 96 HD2 PHE 96 6.440 0.673 1.586 350 HE1 PHE 96 HE1 PHE 96 8.086 -3.741 0.180 351 HE2 PHE 96 HE2 PHE 96 7.634 0.433 -0.552 352 HZ PHE 96 HZ PHE 96 8.459 -1.777 -1.257 353 H LEU 97 H LEU 97 7.399 0.757 5.241 354 HA LEU 97 HA LEU 97 9.833 0.985 3.868 355 HB2 LEU 97 HB2 LEU 97 8.218 2.615 5.453 356 HB3 LEU 97 HB3 LEU 97 9.769 2.592 6.270 357 HG LEU 97 HG LEU 97 10.849 3.298 4.150 358 HD11 LEU 97 HD11 LEU 97 8.017 3.667 3.188 359 HD12 LEU 97 HD12 LEU 97 9.085 2.360 2.686 360 HD13 LEU 97 HD13 LEU 97 9.498 4.032 2.300 361 HD21 LEU 97 HD21 LEU 97 9.876 4.864 5.975 362 HD22 LEU 97 HD22 LEU 97 8.661 5.243 4.748 363 HD23 LEU 97 HD23 LEU 97 10.367 5.541 4.424 364 H GLN 98 H GLN 98 9.114 -0.099 7.156 365 HA GLN 98 HA GLN 98 11.890 -0.519 7.798 366 HB2 GLN 98 HB2 GLN 98 9.338 -1.384 9.148 367 HB3 GLN 98 HB3 GLN 98 10.941 -1.738 9.779 368 HG2 GLN 98 HG2 GLN 98 9.852 1.018 9.271 369 HG3 GLN 98 HG3 GLN 98 9.886 0.212 10.835 370 HE21 GLN 98 HE21 GLN 98 11.769 1.729 8.354 371 HE22 GLN 98 HE22 GLN 98 13.224 1.902 9.272 372 H LYS 99 H LYS 99 9.259 -2.390 6.504 373 HA LYS 99 HA LYS 99 10.281 -4.977 6.854 374 HB2 LYS 99 HB2 LYS 99 7.964 -4.572 6.267 375 HB3 LYS 99 HB3 LYS 99 8.440 -3.817 4.759 376 HG2 LYS 99 HG2 LYS 99 9.140 -6.677 5.288 377 HG3 LYS 99 HG3 LYS 99 7.526 -6.237 4.733 378 HD2 LYS 99 HD2 LYS 99 8.562 -5.079 2.794 379 HD3 LYS 99 HD3 LYS 99 10.136 -5.639 3.339 380 HE2 LYS 99 HE2 LYS 99 9.488 -7.940 3.019 381 HE3 LYS 99 HE3 LYS 99 7.843 -7.454 2.610 382 HZ1 LYS 99 HZ1 LYS 99 10.222 -6.617 1.041 383 HZ2 LYS 99 HZ2 LYS 99 8.591 -6.456 0.611 384 HZ3 LYS 99 HZ3 LYS 99 9.302 -7.992 0.671 385 H ASN 100 H ASN 100 10.641 -2.667 4.190 386 HA ASN 100 HA ASN 100 12.435 -4.581 2.877 387 HB2 ASN 100 HB2 ASN 100 10.366 -3.163 1.814 388 HB3 ASN 100 HB3 ASN 100 11.727 -2.112 1.426 389 HD21 ASN 100 HD21 ASN 100 13.368 -2.879 0.062 390 HD22 ASN 100 HD22 ASN 100 13.130 -4.265 -0.946 391 H ASP 101 H ASP 101 12.508 -2.024 4.885 392 HA ASP 101 HA ASP 101 14.093 -0.625 5.681 393 HB2 ASP 101 HB2 ASP 101 15.487 -2.796 5.293 394 HB3 ASP 101 HB3 ASP 101 16.187 -1.894 3.952 395 H LEU 102 H LEU 102 12.685 0.722 4.127 396 HA LEU 102 HA LEU 102 14.230 1.812 1.888 397 HB2 LEU 102 HB2 LEU 102 11.354 2.217 2.700 398 HB3 LEU 102 HB3 LEU 102 12.101 3.020 1.352 399 HG LEU 102 HG LEU 102 11.297 1.380 0.100 400 HD11 LEU 102 HD11 LEU 102 12.504 -0.697 -0.032 401 HD12 LEU 102 HD12 LEU 102 13.216 -0.401 1.553 402 HD13 LEU 102 HD13 LEU 102 13.621 0.652 0.193 403 HD21 LEU 102 HD21 LEU 102 9.617 0.689 1.487 404 HD22 LEU 102 HD22 LEU 102 10.735 0.125 2.721 405 HD23 LEU 102 HD23 LEU 102 10.516 -0.811 1.241 406 H ASN 103 H ASN 103 13.798 4.240 1.571 407 HA ASN 103 HA ASN 103 14.816 5.647 3.864 408 HB2 ASN 103 HB2 ASN 103 15.451 6.050 1.431 409 HB3 ASN 103 HB3 ASN 103 13.879 6.805 1.245 410 HD21 ASN 103 HD21 ASN 103 17.031 7.103 2.649 411 HD22 ASN 103 HD22 ASN 103 16.889 8.769 3.088 412 HA PRO 104 HA PRO 104 10.983 6.925 5.669 413 HB2 PRO 104 HB2 PRO 104 12.462 9.403 6.364 414 HB3 PRO 104 HB3 PRO 104 11.622 8.259 7.414 415 HG2 PRO 104 HG2 PRO 104 14.279 8.302 7.335 416 HG3 PRO 104 HG3 PRO 104 13.402 6.761 7.428 417 HD2 PRO 104 HD2 PRO 104 14.679 8.074 5.056 418 HD3 PRO 104 HD3 PRO 104 14.696 6.366 5.535 419 H MET 105 H MET 105 12.620 8.807 3.268 420 HA MET 105 HA MET 105 10.735 10.900 2.967 421 HB2 MET 105 HB2 MET 105 13.009 10.961 2.015 422 HB3 MET 105 HB3 MET 105 12.573 9.676 0.906 423 HG2 MET 105 HG2 MET 105 10.862 11.149 -0.079 424 HG3 MET 105 HG3 MET 105 11.412 12.449 0.975 425 HE1 MET 105 HE1 MET 105 11.692 13.946 -1.251 426 HE2 MET 105 HE2 MET 105 11.210 12.581 -2.256 427 HE3 MET 105 HE3 MET 105 12.690 13.465 -2.623 428 H PHE 106 H PHE 106 10.615 7.580 2.239 429 HA PHE 106 HA PHE 106 8.768 7.846 0.022 430 HB2 PHE 106 HB2 PHE 106 9.875 5.473 1.509 431 HB3 PHE 106 HB3 PHE 106 8.662 5.311 0.250 432 HD1 PHE 106 HD1 PHE 106 9.318 6.623 -1.991 433 HD2 PHE 106 HD2 PHE 106 12.075 5.136 0.903 434 HE1 PHE 106 HE1 PHE 106 11.085 6.576 -3.699 435 HE2 PHE 106 HE2 PHE 106 13.840 5.089 -0.807 436 HZ PHE 106 HZ PHE 106 13.348 5.806 -3.109 437 H LEU 107 H LEU 107 8.657 7.738 3.398 438 HA LEU 107 HA LEU 107 6.495 6.072 3.936 439 HB2 LEU 107 HB2 LEU 107 7.971 6.679 5.673 440 HB3 LEU 107 HB3 LEU 107 7.686 8.390 5.440 441 HG LEU 107 HG LEU 107 5.451 8.171 6.391 442 HD11 LEU 107 HD11 LEU 107 6.111 5.279 6.870 443 HD12 LEU 107 HD12 LEU 107 5.109 5.839 5.534 444 HD13 LEU 107 HD13 LEU 107 4.589 6.108 7.198 445 HD21 LEU 107 HD21 LEU 107 7.466 8.458 7.853 446 HD22 LEU 107 HD22 LEU 107 7.433 6.710 8.122 447 HD23 LEU 107 HD23 LEU 107 6.077 7.715 8.647 448 H ASP 108 H ASP 108 6.407 9.658 3.605 449 HA ASP 108 HA ASP 108 3.600 9.693 4.081 450 HB2 ASP 108 HB2 ASP 108 5.233 11.662 4.335 451 HB3 ASP 108 HB3 ASP 108 5.058 11.868 2.594 452 H GLN 109 H GLN 109 5.571 9.327 1.245 453 HA GLN 109 HA GLN 109 3.619 9.849 -0.720 454 HB2 GLN 109 HB2 GLN 109 5.816 9.858 -1.494 455 HB3 GLN 109 HB3 GLN 109 6.231 8.385 -0.630 456 HG2 GLN 109 HG2 GLN 109 4.928 7.079 -2.206 457 HG3 GLN 109 HG3 GLN 109 4.484 8.549 -3.076 458 HE21 GLN 109 HE21 GLN 109 5.981 6.148 -3.944 459 HE22 GLN 109 HE22 GLN 109 7.481 6.747 -4.556 460 H VAL 110 H VAL 110 4.819 6.760 0.605 461 HA VAL 110 HA VAL 110 2.919 5.131 -0.691 462 HB VAL 110 HB VAL 110 3.462 3.554 1.345 463 HG11 VAL 110 HG11 VAL 110 5.300 2.712 0.179 464 HG12 VAL 110 HG12 VAL 110 5.782 4.321 -0.343 465 HG13 VAL 110 HG13 VAL 110 4.374 3.552 -1.065 466 HG21 VAL 110 HG21 VAL 110 5.441 4.009 2.528 467 HG22 VAL 110 HG22 VAL 110 4.438 5.451 2.657 468 HG23 VAL 110 HG23 VAL 110 5.789 5.421 1.532 469 H ALA 111 H ALA 111 2.917 6.728 2.448 470 HA ALA 111 HA ALA 111 0.550 5.583 3.442 471 HB1 ALA 111 HB1 ALA 111 1.793 8.243 4.099 472 HB2 ALA 111 HB2 ALA 111 2.124 6.700 4.897 473 HB3 ALA 111 HB3 ALA 111 0.529 7.447 5.032 474 H LYS 112 H LYS 112 1.084 8.541 1.529 475 HA LYS 112 HA LYS 112 -1.578 9.455 1.661 476 HB2 LYS 112 HB2 LYS 112 0.664 9.967 -0.266 477 HB3 LYS 112 HB3 LYS 112 -0.941 10.625 -0.556 478 HG2 LYS 112 HG2 LYS 112 0.733 11.113 1.897 479 HG3 LYS 112 HG3 LYS 112 0.516 12.240 0.551 480 HD2 LYS 112 HD2 LYS 112 -1.928 12.208 1.013 481 HD3 LYS 112 HD3 LYS 112 -1.601 11.219 2.439 482 HE2 LYS 112 HE2 LYS 112 -0.678 14.039 1.912 483 HE3 LYS 112 HE3 LYS 112 -1.825 13.494 3.136 484 HZ1 LYS 112 HZ1 LYS 112 0.278 13.893 4.170 485 HZ2 LYS 112 HZ2 LYS 112 1.098 12.920 3.044 486 HZ3 LYS 112 HZ3 LYS 112 0.024 12.219 4.149 487 H PHE 113 H PHE 113 0.049 7.283 -0.631 488 HA PHE 113 HA PHE 113 -2.167 6.993 -2.355 489 HB2 PHE 113 HB2 PHE 113 0.268 6.201 -2.729 490 HB3 PHE 113 HB3 PHE 113 -0.219 4.763 -1.831 491 HD1 PHE 113 HD1 PHE 113 -2.113 3.386 -2.682 492 HD2 PHE 113 HD2 PHE 113 -0.348 6.483 -4.990 493 HE1 PHE 113 HE1 PHE 113 -3.120 2.432 -4.715 494 HE2 PHE 113 HE2 PHE 113 -1.351 5.543 -7.032 495 HZ PHE 113 HZ PHE 113 -2.741 3.514 -6.896 496 H ILE 114 H ILE 114 -1.117 5.170 0.495 497 HA ILE 114 HA ILE 114 -3.102 3.300 0.763 498 HB ILE 114 HB ILE 114 -1.670 4.986 2.781 499 HG12 ILE 114 HG12 ILE 114 -1.507 2.012 2.477 500 HG13 ILE 114 HG13 ILE 114 -0.646 3.055 1.348 501 HG21 ILE 114 HG21 ILE 114 -4.085 4.064 3.388 502 HG22 ILE 114 HG22 ILE 114 -2.765 4.105 4.543 503 HG23 ILE 114 HG23 ILE 114 -3.150 2.603 3.713 504 HD11 ILE 114 HD11 ILE 114 0.603 2.186 3.404 505 HD12 ILE 114 HD12 ILE 114 -0.336 3.390 4.293 506 HD13 ILE 114 HD13 ILE 114 0.736 3.896 2.996 507 H ILE 115 H ILE 115 -3.161 6.652 1.918 508 HA ILE 115 HA ILE 115 -5.716 6.639 3.011 509 HB ILE 115 HB ILE 115 -4.076 8.891 1.878 510 HG12 ILE 115 HG12 ILE 115 -4.835 8.325 4.734 511 HG13 ILE 115 HG13 ILE 115 -3.428 7.571 3.990 512 HG21 ILE 115 HG21 ILE 115 -6.296 9.670 1.661 513 HG22 ILE 115 HG22 ILE 115 -5.716 10.337 3.183 514 HG23 ILE 115 HG23 ILE 115 -6.783 8.942 3.190 515 HD11 ILE 115 HD11 ILE 115 -3.679 10.523 3.817 516 HD12 ILE 115 HD12 ILE 115 -2.245 9.499 3.962 517 HD13 ILE 115 HD13 ILE 115 -3.259 9.804 5.371 518 H ASP 116 H ASP 116 -4.683 7.672 -0.245 519 HA ASP 116 HA ASP 116 -7.176 8.702 -0.995 520 HB2 ASP 116 HB2 ASP 116 -4.889 9.021 -2.129 521 HB3 ASP 116 HB3 ASP 116 -5.249 7.522 -2.984 522 H ASN 117 H ASN 117 -5.898 5.426 -1.203 523 HA ASN 117 HA ASN 117 -7.834 4.283 -2.864 524 HB2 ASN 117 HB2 ASN 117 -5.863 3.035 -2.163 525 HB3 ASN 117 HB3 ASN 117 -6.409 3.059 -0.489 526 HD21 ASN 117 HD21 ASN 117 -8.042 1.673 0.155 527 HD22 ASN 117 HD22 ASN 117 -8.625 0.380 -0.836 528 H THR 118 H THR 118 -7.906 4.942 0.609 529 HA THR 118 HA THR 118 -10.738 4.158 0.651 530 HB THR 118 HB THR 118 -10.377 4.242 3.196 531 HG1 THR 118 HG1 THR 118 -7.891 3.548 3.322 532 HG21 THR 118 HG21 THR 118 -9.006 2.161 1.498 533 HG22 THR 118 HG22 THR 118 -10.690 2.154 2.022 534 HG23 THR 118 HG23 THR 118 -9.396 1.962 3.206 535 H LYS 119 H LYS 119 -9.586 6.683 -0.326 536 HA LYS 119 HA LYS 119 -11.131 8.525 1.364 537 HB2 LYS 119 HB2 LYS 119 -8.654 8.892 1.659 538 HB3 LYS 119 HB3 LYS 119 -8.524 9.148 -0.075 539 HG2 LYS 119 HG2 LYS 119 -10.509 10.879 1.055 540 HG3 LYS 119 HG3 LYS 119 -8.968 11.061 1.895 541 HD2 LYS 119 HD2 LYS 119 -9.342 11.191 -1.098 542 HD3 LYS 119 HD3 LYS 119 -9.224 12.596 -0.038 543 HE2 LYS 119 HE2 LYS 119 -6.984 11.998 0.594 544 HE3 LYS 119 HE3 LYS 119 -7.096 10.478 -0.293 545 HZ1 LYS 119 HZ1 LYS 119 -7.423 13.076 -1.656 546 HZ2 LYS 119 HZ2 LYS 119 -7.018 11.571 -2.333 547 HZ3 LYS 119 HZ3 LYS 119 -5.890 12.420 -1.392 548 H GLY 120 H GLY 120 -11.784 10.515 -0.031 549 HA2 GLY 120 HA2 GLY 120 -13.062 9.867 -2.402 550 HA3 GLY 120 HA3 GLY 120 -12.516 11.491 -1.998 551 H GLN 121 H GLN 121 -12.357 9.265 -4.314 552 HA GLN 121 HA GLN 121 -9.730 8.673 -4.843 553 HB2 GLN 121 HB2 GLN 121 -11.888 9.192 -6.885 554 HB3 GLN 121 HB3 GLN 121 -10.421 8.252 -7.139 555 HG2 GLN 121 HG2 GLN 121 -12.536 7.580 -5.120 556 HG3 GLN 121 HG3 GLN 121 -12.453 6.884 -6.737 557 HE21 GLN 121 HE21 GLN 121 -10.993 7.021 -3.579 558 HE22 GLN 121 HE22 GLN 121 -9.990 5.628 -3.762 559 H MET 122 H MET 122 -8.086 9.970 -4.985 560 HA MET 122 HA MET 122 -6.672 11.606 -5.624 561 HB2 MET 122 HB2 MET 122 -7.431 11.258 -7.922 562 HB3 MET 122 HB3 MET 122 -8.787 12.346 -7.650 563 HG2 MET 122 HG2 MET 122 -7.173 14.172 -7.212 564 HG3 MET 122 HG3 MET 122 -5.868 13.071 -7.637 565 HE1 MET 122 HE1 MET 122 -9.084 14.649 -10.528 566 HE2 MET 122 HE2 MET 122 -8.872 15.194 -8.864 567 HE3 MET 122 HE3 MET 122 -9.464 13.563 -9.191 568 H LEU 123 H LEU 123 -9.955 12.985 -5.804 569 HA LEU 123 HA LEU 123 -8.926 15.347 -4.384 570 HB2 LEU 123 HB2 LEU 123 -10.107 15.335 -6.743 571 HB3 LEU 123 HB3 LEU 123 -11.569 15.302 -5.778 572 HG LEU 123 HG LEU 123 -11.049 17.573 -6.446 573 HD11 LEU 123 HD11 LEU 123 -10.514 17.171 -3.508 574 HD12 LEU 123 HD12 LEU 123 -12.099 17.286 -4.270 575 HD13 LEU 123 HD13 LEU 123 -11.018 18.678 -4.273 576 HD21 LEU 123 HD21 LEU 123 -8.692 17.414 -6.799 577 HD22 LEU 123 HD22 LEU 123 -8.411 17.075 -5.093 578 HD23 LEU 123 HD23 LEU 123 -8.985 18.668 -5.592 579 H GLY 124 H GLY 124 -12.071 13.643 -4.661 580 HA2 GLY 124 HA2 GLY 124 -12.422 12.980 -2.005 581 HA3 GLY 124 HA3 GLY 124 -12.962 14.647 -2.148 582 H LEU 125 H LEU 125 -14.955 13.367 -1.389 583 HA LEU 125 HA LEU 125 -16.359 12.107 -3.636 584 HB2 LEU 125 HB2 LEU 125 -17.176 12.302 -0.735 585 HB3 LEU 125 HB3 LEU 125 -17.950 11.331 -1.968 586 HG LEU 125 HG LEU 125 -15.184 10.900 -0.845 587 HD11 LEU 125 HD11 LEU 125 -16.165 8.823 0.031 588 HD12 LEU 125 HD12 LEU 125 -17.743 9.340 -0.565 589 HD13 LEU 125 HD13 LEU 125 -16.934 10.264 0.700 590 HD21 LEU 125 HD21 LEU 125 -15.274 10.303 -3.207 591 HD22 LEU 125 HD22 LEU 125 -16.709 9.321 -2.911 592 HD23 LEU 125 HD23 LEU 125 -15.162 8.864 -2.194 593 H GLY 126 H GLY 126 -18.905 12.602 -3.371 594 HA2 GLY 126 HA2 GLY 126 -20.573 14.234 -2.918 595 HA3 GLY 126 HA3 GLY 126 -19.310 15.445 -2.770 596 H ASN 127 H ASN 127 -20.840 13.306 -5.163 597 HA ASN 127 HA ASN 127 -20.845 15.571 -7.025 598 HB2 ASN 127 HB2 ASN 127 -18.940 14.096 -7.645 599 HB3 ASN 127 HB3 ASN 127 -20.063 12.752 -7.820 600 HD21 ASN 127 HD21 ASN 127 -20.657 16.091 -8.792 601 HD22 ASN 127 HD22 ASN 127 -20.753 15.757 -10.490 602 HA PRO 128 HA PRO 128 -25.073 13.862 -6.779 603 HB2 PRO 128 HB2 PRO 128 -25.817 16.590 -7.546 604 HB3 PRO 128 HB3 PRO 128 -26.262 15.678 -6.103 605 HG2 PRO 128 HG2 PRO 128 -24.585 17.783 -6.011 606 HG3 PRO 128 HG3 PRO 128 -24.422 16.393 -4.921 607 HD2 PRO 128 HD2 PRO 128 -22.888 17.036 -7.418 608 HD3 PRO 128 HD3 PRO 128 -22.295 16.421 -5.859 Start of MODEL 3 1 H1 ALA 49 H1 ALA 49 -12.071 -19.768 2.220 2 H2 ALA 49 H2 ALA 49 -11.567 -21.138 1.356 3 H3 ALA 49 H3 ALA 49 -13.120 -20.504 1.111 4 HA ALA 49 HA ALA 49 -12.145 -18.451 0.247 5 HB1 ALA 49 HB1 ALA 49 -9.769 -18.402 -0.279 6 HB2 ALA 49 HB2 ALA 49 -9.561 -20.000 0.437 7 HB3 ALA 49 HB3 ALA 49 -10.017 -18.629 1.453 8 H ASN 50 H ASN 50 -12.456 -18.314 -1.889 9 HA ASN 50 HA ASN 50 -12.859 -20.713 -3.412 10 HB2 ASN 50 HB2 ASN 50 -14.295 -18.683 -3.634 11 HB3 ASN 50 HB3 ASN 50 -12.924 -17.820 -4.319 12 HD21 ASN 50 HD21 ASN 50 -14.061 -17.426 -6.224 13 HD22 ASN 50 HD22 ASN 50 -14.345 -18.666 -7.397 14 H GLN 51 H GLN 51 -11.873 -20.893 -5.671 15 HA GLN 51 HA GLN 51 -9.067 -21.017 -5.456 16 HB2 GLN 51 HB2 GLN 51 -10.714 -21.043 -7.992 17 HB3 GLN 51 HB3 GLN 51 -9.065 -21.627 -7.813 18 HG2 GLN 51 HG2 GLN 51 -9.920 -23.300 -6.170 19 HG3 GLN 51 HG3 GLN 51 -11.555 -22.789 -6.591 20 HE21 GLN 51 HE21 GLN 51 -12.343 -23.218 -8.677 21 HE22 GLN 51 HE22 GLN 51 -11.606 -24.417 -9.699 22 H GLN 52 H GLN 52 -11.156 -18.802 -7.293 23 HA GLN 52 HA GLN 52 -8.941 -16.865 -7.272 24 HB2 GLN 52 HB2 GLN 52 -10.911 -17.368 -9.510 25 HB3 GLN 52 HB3 GLN 52 -9.780 -16.023 -9.459 26 HG2 GLN 52 HG2 GLN 52 -7.922 -17.672 -9.395 27 HG3 GLN 52 HG3 GLN 52 -9.116 -18.950 -9.630 28 HE21 GLN 52 HE21 GLN 52 -7.476 -16.256 -11.054 29 HE22 GLN 52 HE22 GLN 52 -7.940 -16.578 -12.698 30 H THR 53 H THR 53 -10.227 -14.705 -8.293 31 HA THR 53 HA THR 53 -11.350 -12.885 -7.584 32 HB THR 53 HB THR 53 -13.821 -13.232 -7.166 33 HG1 THR 53 HG1 THR 53 -13.089 -15.710 -6.782 34 HG21 THR 53 HG21 THR 53 -14.268 -13.691 -9.488 35 HG22 THR 53 HG22 THR 53 -12.682 -14.425 -9.691 36 HG23 THR 53 HG23 THR 53 -12.823 -12.698 -9.357 37 H SER 54 H SER 54 -9.752 -13.822 -5.601 38 HA SER 54 HA SER 54 -11.140 -14.097 -3.119 39 HB2 SER 54 HB2 SER 54 -8.271 -13.233 -3.557 40 HB3 SER 54 HB3 SER 54 -8.955 -13.964 -2.104 41 HG SER 54 HG SER 54 -8.702 -15.865 -2.963 42 H GLY 55 H GLY 55 -9.819 -11.447 -4.985 43 HA2 GLY 55 HA2 GLY 55 -10.623 -9.236 -4.888 44 HA3 GLY 55 HA3 GLY 55 -11.272 -9.564 -3.287 45 H LYS 56 H LYS 56 -8.747 -10.776 -2.415 46 HA LYS 56 HA LYS 56 -7.392 -8.359 -1.668 47 HB2 LYS 56 HB2 LYS 56 -7.689 -11.100 -0.657 48 HB3 LYS 56 HB3 LYS 56 -6.079 -10.419 -0.438 49 HG2 LYS 56 HG2 LYS 56 -7.657 -10.068 1.469 50 HG3 LYS 56 HG3 LYS 56 -6.914 -8.621 0.808 51 HD2 LYS 56 HD2 LYS 56 -9.012 -8.336 -0.580 52 HD3 LYS 56 HD3 LYS 56 -9.732 -9.575 0.452 53 HE2 LYS 56 HE2 LYS 56 -9.471 -8.240 2.388 54 HE3 LYS 56 HE3 LYS 56 -8.418 -7.105 1.548 55 HZ1 LYS 56 HZ1 LYS 56 -10.511 -6.082 1.733 56 HZ2 LYS 56 HZ2 LYS 56 -11.337 -7.466 1.197 57 HZ3 LYS 56 HZ3 LYS 56 -10.384 -6.572 0.114 58 H VAL 57 H VAL 57 -5.124 -8.153 -1.741 59 HA VAL 57 HA VAL 57 -4.048 -9.046 -4.307 60 HB VAL 57 HB VAL 57 -2.780 -7.094 -2.396 61 HG11 VAL 57 HG11 VAL 57 -2.528 -7.630 -5.335 62 HG12 VAL 57 HG12 VAL 57 -1.280 -7.699 -4.085 63 HG13 VAL 57 HG13 VAL 57 -1.942 -6.144 -4.587 64 HG21 VAL 57 HG21 VAL 57 -4.000 -5.306 -3.207 65 HG22 VAL 57 HG22 VAL 57 -5.222 -6.561 -3.011 66 HG23 VAL 57 HG23 VAL 57 -4.578 -6.202 -4.614 67 H LEU 58 H LEU 58 -2.456 -10.528 -4.444 68 HA LEU 58 HA LEU 58 -1.441 -11.646 -1.954 69 HB2 LEU 58 HB2 LEU 58 -2.343 -13.080 -3.773 70 HB3 LEU 58 HB3 LEU 58 -1.003 -12.580 -4.791 71 HG LEU 58 HG LEU 58 0.488 -13.511 -2.892 72 HD11 LEU 58 HD11 LEU 58 -1.875 -15.239 -2.328 73 HD12 LEU 58 HD12 LEU 58 -1.671 -13.721 -1.459 74 HD13 LEU 58 HD13 LEU 58 -0.422 -14.969 -1.361 75 HD21 LEU 58 HD21 LEU 58 0.315 -14.518 -5.102 76 HD22 LEU 58 HD22 LEU 58 -1.162 -15.351 -4.621 77 HD23 LEU 58 HD23 LEU 58 0.371 -15.759 -3.852 78 H TYR 59 H TYR 59 0.429 -11.038 -1.129 79 HA TYR 59 HA TYR 59 2.615 -10.334 -2.965 80 HB2 TYR 59 HB2 TYR 59 3.279 -8.491 -1.715 81 HB3 TYR 59 HB3 TYR 59 1.528 -8.384 -1.555 82 HD1 TYR 59 HD1 TYR 59 0.492 -9.429 0.584 83 HD2 TYR 59 HD2 TYR 59 4.629 -8.547 0.151 84 HE1 TYR 59 HE1 TYR 59 0.772 -9.542 3.033 85 HE2 TYR 59 HE2 TYR 59 4.918 -8.633 2.590 86 HH TYR 59 HH TYR 59 3.696 -8.508 4.597 87 H GLU 60 H GLU 60 4.127 -11.844 -2.838 88 HA GLU 60 HA GLU 60 5.493 -13.486 -2.088 89 HB2 GLU 60 HB2 GLU 60 5.393 -11.902 0.467 90 HB3 GLU 60 HB3 GLU 60 6.621 -13.086 0.037 91 HG2 GLU 60 HG2 GLU 60 7.278 -11.728 -1.864 92 HG3 GLU 60 HG3 GLU 60 6.033 -10.552 -1.448 93 H GLY 61 H GLY 61 2.587 -13.828 -1.669 94 HA2 GLY 61 HA2 GLY 61 1.710 -16.014 -1.204 95 HA3 GLY 61 HA3 GLY 61 2.877 -16.163 0.096 96 H LYS 62 H LYS 62 1.801 -13.143 0.587 97 HA LYS 62 HA LYS 62 -0.491 -14.076 2.203 98 HB2 LYS 62 HB2 LYS 62 1.478 -13.064 3.449 99 HB3 LYS 62 HB3 LYS 62 1.076 -11.546 2.669 100 HG2 LYS 62 HG2 LYS 62 -1.029 -11.446 3.749 101 HG3 LYS 62 HG3 LYS 62 -0.863 -13.095 4.343 102 HD2 LYS 62 HD2 LYS 62 1.054 -10.916 5.118 103 HD3 LYS 62 HD3 LYS 62 -0.433 -11.230 6.015 104 HE2 LYS 62 HE2 LYS 62 0.291 -13.546 6.386 105 HE3 LYS 62 HE3 LYS 62 1.785 -13.213 5.512 106 HZ1 LYS 62 HZ1 LYS 62 0.921 -11.891 8.032 107 HZ2 LYS 62 HZ2 LYS 62 2.356 -11.569 7.187 108 HZ3 LYS 62 HZ3 LYS 62 2.117 -13.091 7.895 109 H GLU 63 H GLU 63 -2.323 -12.696 2.356 110 HA GLU 63 HA GLU 63 -2.676 -11.085 -0.080 111 HB2 GLU 63 HB2 GLU 63 -4.595 -12.780 1.494 112 HB3 GLU 63 HB3 GLU 63 -5.151 -11.585 0.328 113 HG2 GLU 63 HG2 GLU 63 -4.086 -12.725 -1.458 114 HG3 GLU 63 HG3 GLU 63 -3.239 -13.801 -0.346 115 H PHE 64 H PHE 64 -3.395 -9.041 0.056 116 HA PHE 64 HA PHE 64 -4.308 -8.049 2.670 117 HB2 PHE 64 HB2 PHE 64 -1.922 -7.260 1.240 118 HB3 PHE 64 HB3 PHE 64 -2.993 -5.892 1.478 119 HD1 PHE 64 HD1 PHE 64 -3.816 -5.433 3.846 120 HD2 PHE 64 HD2 PHE 64 -0.566 -8.039 2.974 121 HE1 PHE 64 HE1 PHE 64 -3.038 -5.236 6.173 122 HE2 PHE 64 HE2 PHE 64 0.214 -7.852 5.301 123 HZ PHE 64 HZ PHE 64 -1.021 -6.446 6.903 124 H ASP 65 H ASP 65 -5.277 -5.784 2.420 125 HA ASP 65 HA ASP 65 -7.513 -5.993 0.757 126 HB2 ASP 65 HB2 ASP 65 -6.400 -3.853 2.474 127 HB3 ASP 65 HB3 ASP 65 -7.516 -3.335 1.215 128 H TYR 66 H TYR 66 -4.932 -3.575 0.478 129 HA TYR 66 HA TYR 66 -4.990 -3.876 -2.436 130 HB2 TYR 66 HB2 TYR 66 -5.314 -1.248 -0.966 131 HB3 TYR 66 HB3 TYR 66 -4.977 -1.384 -2.683 132 HD1 TYR 66 HD1 TYR 66 -6.722 -2.334 -4.196 133 HD2 TYR 66 HD2 TYR 66 -7.502 -1.522 -0.094 134 HE1 TYR 66 HE1 TYR 66 -9.139 -2.419 -4.644 135 HE2 TYR 66 HE2 TYR 66 -9.918 -1.608 -0.528 136 HH TYR 66 HH TYR 66 -11.473 -1.380 -2.339 137 H VAL 67 H VAL 67 -2.843 -4.763 -2.356 138 HA VAL 67 HA VAL 67 -0.823 -3.094 -1.123 139 HB VAL 67 HB VAL 67 0.657 -4.756 -1.255 140 HG11 VAL 67 HG11 VAL 67 -1.389 -5.721 -0.274 141 HG12 VAL 67 HG12 VAL 67 -0.286 -6.912 -0.957 142 HG13 VAL 67 HG13 VAL 67 -1.747 -6.456 -1.839 143 HG21 VAL 67 HG21 VAL 67 -0.283 -6.234 -3.615 144 HG22 VAL 67 HG22 VAL 67 1.358 -5.848 -3.084 145 HG23 VAL 67 HG23 VAL 67 0.387 -4.631 -3.910 146 H PHE 68 H PHE 68 0.350 -1.613 -2.095 147 HA PHE 68 HA PHE 68 -0.403 -0.886 -4.813 148 HB2 PHE 68 HB2 PHE 68 -0.464 0.796 -3.007 149 HB3 PHE 68 HB3 PHE 68 1.251 0.562 -2.736 150 HD1 PHE 68 HD1 PHE 68 -0.800 1.082 -5.819 151 HD2 PHE 68 HD2 PHE 68 2.433 2.375 -3.374 152 HE1 PHE 68 HE1 PHE 68 -0.263 2.833 -7.463 153 HE2 PHE 68 HE2 PHE 68 2.977 4.129 -5.016 154 HZ PHE 68 HZ PHE 68 1.627 4.358 -7.062 155 H SER 69 H SER 69 1.098 -0.565 -6.488 156 HA SER 69 HA SER 69 3.631 -1.957 -6.102 157 HB2 SER 69 HB2 SER 69 2.394 -2.666 -8.041 158 HB3 SER 69 HB3 SER 69 2.221 -1.012 -8.598 159 HG SER 69 HG SER 69 4.075 -1.207 -9.563 160 H ILE 70 H ILE 70 5.429 -0.938 -5.780 161 HA ILE 70 HA ILE 70 5.376 1.969 -5.670 162 HB ILE 70 HB ILE 70 7.295 -0.047 -4.542 163 HG12 ILE 70 HG12 ILE 70 5.160 0.009 -3.406 164 HG13 ILE 70 HG13 ILE 70 6.378 0.780 -2.411 165 HG21 ILE 70 HG21 ILE 70 8.426 1.763 -3.434 166 HG22 ILE 70 HG22 ILE 70 7.309 2.937 -4.121 167 HG23 ILE 70 HG23 ILE 70 8.431 2.071 -5.170 168 HD11 ILE 70 HD11 ILE 70 5.575 2.983 -3.277 169 HD12 ILE 70 HD12 ILE 70 4.449 2.107 -2.245 170 HD13 ILE 70 HD13 ILE 70 4.220 2.110 -3.995 171 H ASP 71 H ASP 71 6.228 3.136 -7.203 172 HA ASP 71 HA ASP 71 8.194 1.976 -9.034 173 HB2 ASP 71 HB2 ASP 71 6.390 3.014 -10.192 174 HB3 ASP 71 HB3 ASP 71 6.459 4.442 -9.161 175 H VAL 72 H VAL 72 10.229 2.252 -8.506 176 HA VAL 72 HA VAL 72 11.101 4.911 -7.643 177 HB VAL 72 HB VAL 72 11.155 3.619 -5.624 178 HG11 VAL 72 HG11 VAL 72 12.544 1.557 -5.449 179 HG12 VAL 72 HG12 VAL 72 12.676 1.570 -7.210 180 HG13 VAL 72 HG13 VAL 72 11.099 1.382 -6.445 181 HG21 VAL 72 HG21 VAL 72 13.528 3.720 -5.050 182 HG22 VAL 72 HG22 VAL 72 13.023 5.135 -5.976 183 HG23 VAL 72 HG23 VAL 72 13.938 3.846 -6.760 184 H ASN 73 H ASN 73 12.255 1.750 -8.779 185 HA ASN 73 HA ASN 73 13.847 3.200 -10.768 186 HB2 ASN 73 HB2 ASN 73 15.154 0.961 -10.904 187 HB3 ASN 73 HB3 ASN 73 15.473 2.042 -9.559 188 HD21 ASN 73 HD21 ASN 73 12.706 -0.147 -9.904 189 HD22 ASN 73 HD22 ASN 73 13.104 -1.135 -8.535 190 H GLU 74 H GLU 74 12.698 3.244 -12.619 191 HA GLU 74 HA GLU 74 11.053 0.975 -13.357 192 HB2 GLU 74 HB2 GLU 74 10.372 3.341 -13.854 193 HB3 GLU 74 HB3 GLU 74 11.690 3.423 -15.016 194 HG2 GLU 74 HG2 GLU 74 9.534 2.983 -16.089 195 HG3 GLU 74 HG3 GLU 74 10.677 1.666 -16.340 196 H GLY 75 H GLY 75 11.933 -0.757 -14.193 197 HA2 GLY 75 HA2 GLY 75 13.333 -1.815 -15.891 198 HA3 GLY 75 HA3 GLY 75 14.457 -0.470 -15.708 199 H GLY 76 H GLY 76 12.866 -1.854 -12.983 200 HA2 GLY 76 HA2 GLY 76 15.036 -3.609 -12.246 201 HA3 GLY 76 HA3 GLY 76 14.928 -2.134 -11.287 202 HA PRO 77 HA PRO 77 12.080 -5.352 -9.472 203 HB2 PRO 77 HB2 PRO 77 12.827 -4.990 -6.889 204 HB3 PRO 77 HB3 PRO 77 13.660 -6.102 -7.981 205 HG2 PRO 77 HG2 PRO 77 14.407 -3.313 -7.181 206 HG3 PRO 77 HG3 PRO 77 15.441 -4.746 -7.338 207 HD2 PRO 77 HD2 PRO 77 15.304 -2.831 -9.245 208 HD3 PRO 77 HD3 PRO 77 15.585 -4.541 -9.632 209 H SER 78 H SER 78 10.052 -4.769 -9.001 210 HA SER 78 HA SER 78 9.515 -2.048 -8.088 211 HB2 SER 78 HB2 SER 78 7.602 -4.202 -9.036 212 HB3 SER 78 HB3 SER 78 7.186 -2.521 -8.706 213 HG SER 78 HG SER 78 7.990 -1.951 -10.570 214 H TYR 79 H TYR 79 8.209 -1.631 -6.243 215 HA TYR 79 HA TYR 79 8.417 -3.791 -4.252 216 HB2 TYR 79 HB2 TYR 79 8.068 -0.803 -3.882 217 HB3 TYR 79 HB3 TYR 79 8.171 -1.977 -2.575 218 HD1 TYR 79 HD1 TYR 79 10.409 -3.641 -4.048 219 HD2 TYR 79 HD2 TYR 79 9.939 0.479 -3.093 220 HE1 TYR 79 HE1 TYR 79 12.856 -3.371 -4.022 221 HE2 TYR 79 HE2 TYR 79 12.379 0.758 -3.065 222 HH TYR 79 HH TYR 79 14.519 -1.567 -4.295 223 H LYS 80 H LYS 80 6.562 -4.137 -2.794 224 HA LYS 80 HA LYS 80 4.059 -3.042 -3.882 225 HB2 LYS 80 HB2 LYS 80 4.406 -5.838 -2.770 226 HB3 LYS 80 HB3 LYS 80 2.892 -5.134 -3.317 227 HG2 LYS 80 HG2 LYS 80 5.291 -5.837 -4.977 228 HG3 LYS 80 HG3 LYS 80 3.694 -6.578 -5.025 229 HD2 LYS 80 HD2 LYS 80 3.925 -3.660 -5.547 230 HD3 LYS 80 HD3 LYS 80 4.444 -4.772 -6.812 231 HE2 LYS 80 HE2 LYS 80 1.714 -4.554 -5.556 232 HE3 LYS 80 HE3 LYS 80 2.165 -4.141 -7.200 233 HZ1 LYS 80 HZ1 LYS 80 2.752 -6.514 -7.531 234 HZ2 LYS 80 HZ2 LYS 80 1.103 -6.242 -7.254 235 HZ3 LYS 80 HZ3 LYS 80 2.078 -6.860 -6.012 236 H LEU 81 H LEU 81 2.700 -2.165 -2.477 237 HA LEU 81 HA LEU 81 3.531 -2.057 0.356 238 HB2 LEU 81 HB2 LEU 81 3.201 -0.000 -1.304 239 HB3 LEU 81 HB3 LEU 81 1.537 -0.183 -0.838 240 HG LEU 81 HG LEU 81 3.795 0.936 0.662 241 HD11 LEU 81 HD11 LEU 81 2.122 2.374 1.499 242 HD12 LEU 81 HD12 LEU 81 0.849 1.254 1.027 243 HD13 LEU 81 HD13 LEU 81 1.757 2.120 -0.212 244 HD21 LEU 81 HD21 LEU 81 2.845 0.342 2.849 245 HD22 LEU 81 HD22 LEU 81 3.463 -1.070 1.990 246 HD23 LEU 81 HD23 LEU 81 1.726 -0.765 2.048 247 HA PRO 82 HA PRO 82 -0.398 -4.496 0.535 248 HB2 PRO 82 HB2 PRO 82 0.861 -5.197 3.122 249 HB3 PRO 82 HB3 PRO 82 0.118 -6.245 1.913 250 HG2 PRO 82 HG2 PRO 82 2.743 -6.189 2.185 251 HG3 PRO 82 HG3 PRO 82 2.012 -6.263 0.569 252 HD2 PRO 82 HD2 PRO 82 3.152 -3.886 2.009 253 HD3 PRO 82 HD3 PRO 82 3.363 -4.374 0.317 254 H TYR 83 H TYR 83 -1.939 -3.065 0.949 255 HA TYR 83 HA TYR 83 -1.774 -1.473 3.395 256 HB2 TYR 83 HB2 TYR 83 -1.673 0.188 1.858 257 HB3 TYR 83 HB3 TYR 83 -2.336 -0.820 0.578 258 HD1 TYR 83 HD1 TYR 83 -3.524 0.809 3.731 259 HD2 TYR 83 HD2 TYR 83 -4.300 -0.151 -0.328 260 HE1 TYR 83 HE1 TYR 83 -5.647 2.060 3.846 261 HE2 TYR 83 HE2 TYR 83 -6.416 1.080 -0.230 262 HH TYR 83 HH TYR 83 -7.201 3.180 2.305 263 H ASN 84 H ASN 84 -3.236 -1.884 4.843 264 HA ASN 84 HA ASN 84 -5.780 -3.155 4.091 265 HB2 ASN 84 HB2 ASN 84 -4.574 -4.279 5.886 266 HB3 ASN 84 HB3 ASN 84 -4.409 -2.769 6.767 267 HD21 ASN 84 HD21 ASN 84 -5.407 -3.550 8.588 268 HD22 ASN 84 HD22 ASN 84 -7.108 -3.884 8.653 269 H THR 85 H THR 85 -7.708 -2.149 4.524 270 HA THR 85 HA THR 85 -7.550 0.704 4.386 271 HB THR 85 HB THR 85 -10.050 0.564 4.200 272 HG1 THR 85 HG1 THR 85 -10.606 -1.821 3.697 273 HG21 THR 85 HG21 THR 85 -8.187 0.200 2.357 274 HG22 THR 85 HG22 THR 85 -9.902 0.027 1.982 275 HG23 THR 85 HG23 THR 85 -8.917 -1.405 2.282 276 H SER 86 H SER 86 -7.838 -1.494 6.923 277 HA SER 86 HA SER 86 -9.225 0.373 8.676 278 HB2 SER 86 HB2 SER 86 -8.143 -2.372 9.319 279 HB3 SER 86 HB3 SER 86 -9.288 -1.432 10.275 280 HG SER 86 HG SER 86 -10.579 -1.504 8.185 281 H ASP 87 H ASP 87 -6.120 -0.018 7.641 282 HA ASP 87 HA ASP 87 -4.953 0.596 10.273 283 HB2 ASP 87 HB2 ASP 87 -3.839 -0.736 7.835 284 HB3 ASP 87 HB3 ASP 87 -2.748 0.115 8.923 285 H ASP 88 H ASP 88 -3.326 2.206 10.408 286 HA ASP 88 HA ASP 88 -4.139 4.590 9.033 287 HB2 ASP 88 HB2 ASP 88 -1.880 4.212 11.011 288 HB3 ASP 88 HB3 ASP 88 -2.598 5.745 10.521 289 HA PRO 89 HA PRO 89 -1.369 4.809 5.657 290 HB2 PRO 89 HB2 PRO 89 -0.478 7.427 5.965 291 HB3 PRO 89 HB3 PRO 89 -1.931 6.943 5.098 292 HG2 PRO 89 HG2 PRO 89 -1.637 7.937 7.901 293 HG3 PRO 89 HG3 PRO 89 -2.909 8.281 6.712 294 HD2 PRO 89 HD2 PRO 89 -3.356 6.597 8.691 295 HD3 PRO 89 HD3 PRO 89 -3.960 6.234 7.067 296 H TRP 90 H TRP 90 0.044 6.810 8.229 297 HA TRP 90 HA TRP 90 2.676 6.349 7.403 298 HB2 TRP 90 HB2 TRP 90 3.225 7.230 9.764 299 HB3 TRP 90 HB3 TRP 90 2.390 8.295 8.641 300 HD1 TRP 90 HD1 TRP 90 1.722 6.181 11.793 301 HE1 TRP 90 HE1 TRP 90 -0.403 7.092 12.938 302 HE3 TRP 90 HE3 TRP 90 0.302 9.587 8.259 303 HZ2 TRP 90 HZ2 TRP 90 -2.409 9.006 12.398 304 HZ3 TRP 90 HZ3 TRP 90 -1.730 10.917 8.649 305 HH2 TRP 90 HH2 TRP 90 -3.057 10.630 10.676 306 H LEU 91 H LEU 91 0.594 4.506 9.470 307 HA LEU 91 HA LEU 91 2.726 2.970 10.637 308 HB2 LEU 91 HB2 LEU 91 -0.236 2.406 10.497 309 HB3 LEU 91 HB3 LEU 91 0.919 1.517 11.470 310 HG LEU 91 HG LEU 91 0.114 4.403 11.834 311 HD11 LEU 91 HD11 LEU 91 -0.281 1.968 13.567 312 HD12 LEU 91 HD12 LEU 91 -1.530 2.782 12.623 313 HD13 LEU 91 HD13 LEU 91 -0.757 3.616 13.971 314 HD21 LEU 91 HD21 LEU 91 1.616 4.457 13.714 315 HD22 LEU 91 HD22 LEU 91 2.517 4.007 12.261 316 HD23 LEU 91 HD23 LEU 91 2.076 2.776 13.444 317 H THR 92 H THR 92 0.177 2.265 8.253 318 HA THR 92 HA THR 92 1.016 -0.272 7.474 319 HB THR 92 HB THR 92 -0.292 1.860 5.779 320 HG1 THR 92 HG1 THR 92 -1.747 1.547 7.317 321 HG21 THR 92 HG21 THR 92 0.481 0.125 4.339 322 HG22 THR 92 HG22 THR 92 -1.251 -0.119 4.568 323 HG23 THR 92 HG23 THR 92 -0.096 -1.128 5.440 324 H ALA 93 H ALA 93 1.956 2.903 6.275 325 HA ALA 93 HA ALA 93 3.545 1.949 4.131 326 HB1 ALA 93 HB1 ALA 93 2.594 4.156 4.090 327 HB2 ALA 93 HB2 ALA 93 4.352 4.286 4.073 328 HB3 ALA 93 HB3 ALA 93 3.461 4.597 5.562 329 H TYR 94 H TYR 94 4.183 2.958 7.441 330 HA TYR 94 HA TYR 94 6.996 2.830 7.378 331 HB2 TYR 94 HB2 TYR 94 5.409 3.803 9.166 332 HB3 TYR 94 HB3 TYR 94 5.312 2.159 9.779 333 HD1 TYR 94 HD1 TYR 94 7.456 1.002 10.445 334 HD2 TYR 94 HD2 TYR 94 7.217 5.182 9.749 335 HE1 TYR 94 HE1 TYR 94 9.528 1.319 11.740 336 HE2 TYR 94 HE2 TYR 94 9.289 5.524 11.035 337 HH TYR 94 HH TYR 94 10.537 4.273 12.891 338 H ASN 95 H ASN 95 4.476 0.475 8.139 339 HA ASN 95 HA ASN 95 6.019 -1.688 8.941 340 HB2 ASN 95 HB2 ASN 95 3.391 -1.549 7.475 341 HB3 ASN 95 HB3 ASN 95 4.111 -3.086 7.924 342 HD21 ASN 95 HD21 ASN 95 1.615 -1.908 8.813 343 HD22 ASN 95 HD22 ASN 95 1.728 -1.777 10.531 344 H PHE 96 H PHE 96 4.901 -0.922 5.644 345 HA PHE 96 HA PHE 96 6.378 -2.985 4.404 346 HB2 PHE 96 HB2 PHE 96 4.642 -2.142 3.100 347 HB3 PHE 96 HB3 PHE 96 5.080 -0.464 3.408 348 HD1 PHE 96 HD1 PHE 96 6.457 -3.547 1.805 349 HD2 PHE 96 HD2 PHE 96 6.173 0.700 1.742 350 HE1 PHE 96 HE1 PHE 96 7.701 -3.493 -0.316 351 HE2 PHE 96 HE2 PHE 96 7.409 0.754 -0.381 352 HZ PHE 96 HZ PHE 96 8.176 -1.343 -1.411 353 H LEU 97 H LEU 97 7.124 0.387 5.101 354 HA LEU 97 HA LEU 97 9.491 0.555 3.629 355 HB2 LEU 97 HB2 LEU 97 8.030 2.207 5.291 356 HB3 LEU 97 HB3 LEU 97 9.583 2.079 6.095 357 HG LEU 97 HG LEU 97 10.683 2.783 3.980 358 HD11 LEU 97 HD11 LEU 97 7.864 3.329 3.060 359 HD12 LEU 97 HD12 LEU 97 8.860 1.983 2.507 360 HD13 LEU 97 HD13 LEU 97 9.353 3.642 2.166 361 HD21 LEU 97 HD21 LEU 97 9.853 4.349 5.856 362 HD22 LEU 97 HD22 LEU 97 8.607 4.819 4.695 363 HD23 LEU 97 HD23 LEU 97 10.311 5.049 4.304 364 H GLN 98 H GLN 98 8.986 -0.446 7.014 365 HA GLN 98 HA GLN 98 11.792 -1.011 7.350 366 HB2 GLN 98 HB2 GLN 98 11.191 -1.890 9.535 367 HB3 GLN 98 HB3 GLN 98 10.427 -0.330 9.267 368 HG2 GLN 98 HG2 GLN 98 8.327 -1.404 8.772 369 HG3 GLN 98 HG3 GLN 98 9.079 -2.989 8.923 370 HE21 GLN 98 HE21 GLN 98 6.844 -1.787 10.393 371 HE22 GLN 98 HE22 GLN 98 7.285 -1.864 12.065 372 H LYS 99 H LYS 99 8.992 -2.740 6.314 373 HA LYS 99 HA LYS 99 9.880 -5.385 6.657 374 HB2 LYS 99 HB2 LYS 99 7.558 -4.765 6.160 375 HB3 LYS 99 HB3 LYS 99 8.038 -4.187 4.580 376 HG2 LYS 99 HG2 LYS 99 8.514 -7.044 5.306 377 HG3 LYS 99 HG3 LYS 99 6.902 -6.509 4.835 378 HD2 LYS 99 HD2 LYS 99 8.068 -5.474 2.787 379 HD3 LYS 99 HD3 LYS 99 9.435 -6.495 3.228 380 HE2 LYS 99 HE2 LYS 99 6.637 -7.499 2.720 381 HE3 LYS 99 HE3 LYS 99 7.935 -7.507 1.529 382 HZ1 LYS 99 HZ1 LYS 99 9.220 -8.934 3.039 383 HZ2 LYS 99 HZ2 LYS 99 7.766 -9.652 2.546 384 HZ3 LYS 99 HZ3 LYS 99 7.900 -8.994 4.107 385 H ASN 100 H ASN 100 10.259 -3.086 3.993 386 HA ASN 100 HA ASN 100 11.914 -5.040 2.566 387 HB2 ASN 100 HB2 ASN 100 9.966 -3.674 1.501 388 HB3 ASN 100 HB3 ASN 100 11.133 -2.362 1.472 389 HD21 ASN 100 HD21 ASN 100 12.064 -5.699 1.080 390 HD22 ASN 100 HD22 ASN 100 12.501 -5.574 -0.585 391 H ASP 101 H ASP 101 12.224 -2.568 4.694 392 HA ASP 101 HA ASP 101 13.887 -1.254 5.465 393 HB2 ASP 101 HB2 ASP 101 15.211 -3.399 5.204 394 HB3 ASP 101 HB3 ASP 101 15.793 -2.752 3.674 395 H LEU 102 H LEU 102 12.495 0.134 3.950 396 HA LEU 102 HA LEU 102 14.073 1.296 1.771 397 HB2 LEU 102 HB2 LEU 102 11.217 1.730 2.644 398 HB3 LEU 102 HB3 LEU 102 11.972 2.611 1.349 399 HG LEU 102 HG LEU 102 11.162 1.087 -0.034 400 HD11 LEU 102 HD11 LEU 102 12.266 -1.051 -0.257 401 HD12 LEU 102 HD12 LEU 102 12.963 -0.870 1.354 402 HD13 LEU 102 HD13 LEU 102 13.440 0.231 0.058 403 HD21 LEU 102 HD21 LEU 102 9.410 0.399 1.281 404 HD22 LEU 102 HD22 LEU 102 10.464 -0.337 2.482 405 HD23 LEU 102 HD23 LEU 102 10.227 -1.124 0.921 406 H ASN 103 H ASN 103 13.956 3.717 1.630 407 HA ASN 103 HA ASN 103 14.880 4.877 4.082 408 HB2 ASN 103 HB2 ASN 103 15.507 5.380 1.539 409 HB3 ASN 103 HB3 ASN 103 14.206 6.550 1.703 410 HD21 ASN 103 HD21 ASN 103 15.640 8.278 1.462 411 HD22 ASN 103 HD22 ASN 103 16.696 8.756 2.747 412 HA PRO 104 HA PRO 104 10.979 6.143 5.745 413 HB2 PRO 104 HB2 PRO 104 12.559 8.431 6.804 414 HB3 PRO 104 HB3 PRO 104 11.519 7.285 7.660 415 HG2 PRO 104 HG2 PRO 104 14.154 7.070 7.834 416 HG3 PRO 104 HG3 PRO 104 13.146 5.620 7.668 417 HD2 PRO 104 HD2 PRO 104 14.786 7.038 5.603 418 HD3 PRO 104 HD3 PRO 104 14.588 5.296 5.873 419 H MET 105 H MET 105 12.893 8.115 3.702 420 HA MET 105 HA MET 105 11.293 10.375 3.337 421 HB2 MET 105 HB2 MET 105 13.530 10.135 2.377 422 HB3 MET 105 HB3 MET 105 12.953 8.847 1.336 423 HG2 MET 105 HG2 MET 105 11.352 10.519 0.361 424 HG3 MET 105 HG3 MET 105 12.274 11.758 1.211 425 HE1 MET 105 HE1 MET 105 14.046 8.986 -2.022 426 HE2 MET 105 HE2 MET 105 12.339 8.996 -1.586 427 HE3 MET 105 HE3 MET 105 13.541 8.438 -0.424 428 H PHE 106 H PHE 106 10.824 7.074 2.373 429 HA PHE 106 HA PHE 106 9.008 7.686 0.205 430 HB2 PHE 106 HB2 PHE 106 9.857 5.110 1.521 431 HB3 PHE 106 HB3 PHE 106 8.688 5.169 0.211 432 HD1 PHE 106 HD1 PHE 106 9.531 6.483 -1.924 433 HD2 PHE 106 HD2 PHE 106 12.080 4.713 1.008 434 HE1 PHE 106 HE1 PHE 106 11.365 6.408 -3.563 435 HE2 PHE 106 HE2 PHE 106 13.908 4.640 -0.634 436 HZ PHE 106 HZ PHE 106 13.555 5.486 -2.918 437 H LEU 107 H LEU 107 8.835 7.315 3.555 438 HA LEU 107 HA LEU 107 6.530 5.851 3.997 439 HB2 LEU 107 HB2 LEU 107 8.073 6.340 5.746 440 HB3 LEU 107 HB3 LEU 107 7.829 8.063 5.586 441 HG LEU 107 HG LEU 107 5.595 7.858 6.536 442 HD11 LEU 107 HD11 LEU 107 6.194 4.933 6.896 443 HD12 LEU 107 HD12 LEU 107 5.199 5.574 5.591 444 HD13 LEU 107 HD13 LEU 107 4.691 5.785 7.264 445 HD21 LEU 107 HD21 LEU 107 7.640 8.021 7.990 446 HD22 LEU 107 HD22 LEU 107 7.523 6.268 8.205 447 HD23 LEU 107 HD23 LEU 107 6.217 7.319 8.765 448 H ASP 108 H ASP 108 6.798 9.388 3.558 449 HA ASP 108 HA ASP 108 4.062 9.878 4.032 450 HB2 ASP 108 HB2 ASP 108 5.540 11.744 4.152 451 HB3 ASP 108 HB3 ASP 108 6.134 11.467 2.518 452 H GLN 109 H GLN 109 5.825 9.187 1.030 453 HA GLN 109 HA GLN 109 3.722 9.765 -0.727 454 HB2 GLN 109 HB2 GLN 109 5.859 9.624 -1.685 455 HB3 GLN 109 HB3 GLN 109 6.192 8.067 -0.936 456 HG2 GLN 109 HG2 GLN 109 4.773 6.936 -2.412 457 HG3 GLN 109 HG3 GLN 109 4.057 8.433 -3.010 458 HE21 GLN 109 HE21 GLN 109 6.750 6.255 -3.213 459 HE22 GLN 109 HE22 GLN 109 7.495 6.986 -4.594 460 H VAL 110 H VAL 110 4.811 6.653 0.618 461 HA VAL 110 HA VAL 110 2.764 5.120 -0.570 462 HB VAL 110 HB VAL 110 3.340 3.532 1.446 463 HG11 VAL 110 HG11 VAL 110 5.069 2.607 0.164 464 HG12 VAL 110 HG12 VAL 110 5.531 4.185 -0.455 465 HG13 VAL 110 HG13 VAL 110 4.034 3.438 -0.998 466 HG21 VAL 110 HG21 VAL 110 5.365 3.909 2.540 467 HG22 VAL 110 HG22 VAL 110 4.533 5.461 2.608 468 HG23 VAL 110 HG23 VAL 110 5.814 5.203 1.433 469 H ALA 111 H ALA 111 3.016 6.693 2.572 470 HA ALA 111 HA ALA 111 0.605 5.717 3.667 471 HB1 ALA 111 HB1 ALA 111 2.093 8.268 4.266 472 HB2 ALA 111 HB2 ALA 111 2.342 6.698 5.037 473 HB3 ALA 111 HB3 ALA 111 0.819 7.564 5.262 474 H LYS 112 H LYS 112 1.309 8.578 1.689 475 HA LYS 112 HA LYS 112 -1.306 9.669 1.954 476 HB2 LYS 112 HB2 LYS 112 0.974 10.202 0.075 477 HB3 LYS 112 HB3 LYS 112 -0.597 10.948 -0.184 478 HG2 LYS 112 HG2 LYS 112 1.135 11.223 2.266 479 HG3 LYS 112 HG3 LYS 112 0.843 12.458 1.034 480 HD2 LYS 112 HD2 LYS 112 -1.610 12.265 1.620 481 HD3 LYS 112 HD3 LYS 112 -1.115 11.289 3.002 482 HE2 LYS 112 HE2 LYS 112 -0.364 14.150 2.434 483 HE3 LYS 112 HE3 LYS 112 -1.435 13.558 3.705 484 HZ1 LYS 112 HZ1 LYS 112 0.855 14.142 4.447 485 HZ2 LYS 112 HZ2 LYS 112 1.455 12.847 3.530 486 HZ3 LYS 112 HZ3 LYS 112 0.391 12.556 4.826 487 H PHE 113 H PHE 113 0.100 7.324 -0.275 488 HA PHE 113 HA PHE 113 -2.170 7.316 -2.012 489 HB2 PHE 113 HB2 PHE 113 0.152 6.327 -2.512 490 HB3 PHE 113 HB3 PHE 113 -0.383 4.934 -1.571 491 HD1 PHE 113 HD1 PHE 113 -2.431 3.699 -2.303 492 HD2 PHE 113 HD2 PHE 113 -0.535 6.617 -4.740 493 HE1 PHE 113 HE1 PHE 113 -3.598 2.795 -4.273 494 HE2 PHE 113 HE2 PHE 113 -1.698 5.728 -6.718 495 HZ PHE 113 HZ PHE 113 -3.234 3.811 -6.489 496 H ILE 114 H ILE 114 -1.193 5.397 0.786 497 HA ILE 114 HA ILE 114 -3.392 3.762 1.139 498 HB ILE 114 HB ILE 114 -1.682 5.235 3.116 499 HG12 ILE 114 HG12 ILE 114 -1.742 2.278 2.739 500 HG13 ILE 114 HG13 ILE 114 -0.906 3.273 1.548 501 HG21 ILE 114 HG21 ILE 114 -4.168 4.319 3.739 502 HG22 ILE 114 HG22 ILE 114 -2.834 4.499 4.873 503 HG23 ILE 114 HG23 ILE 114 -3.153 2.929 4.137 504 HD11 ILE 114 HD11 ILE 114 0.447 2.317 3.484 505 HD12 ILE 114 HD12 ILE 114 -0.352 3.549 4.465 506 HD13 ILE 114 HD13 ILE 114 0.640 4.024 3.094 507 H ILE 115 H ILE 115 -2.864 7.022 2.350 508 HA ILE 115 HA ILE 115 -5.363 7.533 3.454 509 HB ILE 115 HB ILE 115 -3.098 9.184 2.479 510 HG12 ILE 115 HG12 ILE 115 -4.504 8.903 5.119 511 HG13 ILE 115 HG13 ILE 115 -3.034 8.068 4.647 512 HG21 ILE 115 HG21 ILE 115 -4.099 11.247 2.850 513 HG22 ILE 115 HG22 ILE 115 -5.509 10.513 3.579 514 HG23 ILE 115 HG23 ILE 115 -5.254 10.363 1.851 515 HD11 ILE 115 HD11 ILE 115 -3.245 11.058 4.775 516 HD12 ILE 115 HD12 ILE 115 -1.802 10.056 4.634 517 HD13 ILE 115 HD13 ILE 115 -2.726 10.053 6.129 518 H ASP 116 H ASP 116 -4.167 8.042 0.171 519 HA ASP 116 HA ASP 116 -6.356 9.553 -0.731 520 HB2 ASP 116 HB2 ASP 116 -3.999 9.046 -1.820 521 HB3 ASP 116 HB3 ASP 116 -4.896 7.755 -2.619 522 H ASN 117 H ASN 117 -5.774 6.089 -0.570 523 HA ASN 117 HA ASN 117 -8.118 5.412 -2.072 524 HB2 ASN 117 HB2 ASN 117 -6.080 3.947 -1.869 525 HB3 ASN 117 HB3 ASN 117 -6.560 3.617 -0.208 526 HD21 ASN 117 HD21 ASN 117 -8.311 2.291 0.197 527 HD22 ASN 117 HD22 ASN 117 -9.064 1.342 -1.038 528 H THR 118 H THR 118 -7.341 5.665 1.378 529 HA THR 118 HA THR 118 -9.877 4.686 2.275 530 HB THR 118 HB THR 118 -9.148 6.049 4.415 531 HG1 THR 118 HG1 THR 118 -6.583 5.637 3.301 532 HG21 THR 118 HG21 THR 118 -7.748 3.564 3.430 533 HG22 THR 118 HG22 THR 118 -9.239 3.644 4.370 534 HG23 THR 118 HG23 THR 118 -7.710 4.142 5.096 535 H LYS 119 H LYS 119 -8.554 7.801 1.464 536 HA LYS 119 HA LYS 119 -10.752 9.434 2.157 537 HB2 LYS 119 HB2 LYS 119 -8.658 10.463 1.661 538 HB3 LYS 119 HB3 LYS 119 -8.576 9.654 0.095 539 HG2 LYS 119 HG2 LYS 119 -10.560 10.917 -0.634 540 HG3 LYS 119 HG3 LYS 119 -10.499 11.829 0.884 541 HD2 LYS 119 HD2 LYS 119 -9.381 13.136 -0.750 542 HD3 LYS 119 HD3 LYS 119 -8.150 12.415 0.292 543 HE2 LYS 119 HE2 LYS 119 -7.673 10.720 -1.349 544 HE3 LYS 119 HE3 LYS 119 -9.003 11.271 -2.361 545 HZ1 LYS 119 HZ1 LYS 119 -7.853 13.176 -2.965 546 HZ2 LYS 119 HZ2 LYS 119 -6.645 11.982 -2.970 547 HZ3 LYS 119 HZ3 LYS 119 -6.765 13.066 -1.670 548 H GLY 120 H GLY 120 -9.743 8.830 -1.118 549 HA2 GLY 120 HA2 GLY 120 -11.900 7.218 -1.947 550 HA3 GLY 120 HA3 GLY 120 -12.194 8.892 -2.415 551 H GLN 121 H GLN 121 -10.907 6.071 -3.409 552 HA GLN 121 HA GLN 121 -8.410 6.462 -4.407 553 HB2 GLN 121 HB2 GLN 121 -9.731 4.348 -4.449 554 HB3 GLN 121 HB3 GLN 121 -10.626 4.974 -5.826 555 HG2 GLN 121 HG2 GLN 121 -8.656 4.982 -7.180 556 HG3 GLN 121 HG3 GLN 121 -7.652 4.576 -5.790 557 HE21 GLN 121 HE21 GLN 121 -10.782 3.134 -6.298 558 HE22 GLN 121 HE22 GLN 121 -10.208 1.551 -6.689 559 H MET 122 H MET 122 -7.924 8.427 -5.231 560 HA MET 122 HA MET 122 -7.608 10.040 -6.774 561 HB2 MET 122 HB2 MET 122 -7.437 8.369 -8.483 562 HB3 MET 122 HB3 MET 122 -9.185 8.190 -8.558 563 HG2 MET 122 HG2 MET 122 -9.439 10.355 -9.522 564 HG3 MET 122 HG3 MET 122 -7.737 10.730 -9.254 565 HE1 MET 122 HE1 MET 122 -5.957 8.311 -11.747 566 HE2 MET 122 HE2 MET 122 -6.322 8.020 -10.047 567 HE3 MET 122 HE3 MET 122 -5.742 9.604 -10.566 568 H LEU 123 H LEU 123 -10.952 8.895 -7.204 569 HA LEU 123 HA LEU 123 -11.850 11.679 -7.339 570 HB2 LEU 123 HB2 LEU 123 -12.523 9.948 -9.038 571 HB3 LEU 123 HB3 LEU 123 -13.430 9.150 -7.777 572 HG LEU 123 HG LEU 123 -14.814 11.187 -7.512 573 HD11 LEU 123 HD11 LEU 123 -13.308 12.143 -9.947 574 HD12 LEU 123 HD12 LEU 123 -13.213 12.837 -8.326 575 HD13 LEU 123 HD13 LEU 123 -14.724 12.923 -9.234 576 HD21 LEU 123 HD21 LEU 123 -15.575 9.346 -8.911 577 HD22 LEU 123 HD22 LEU 123 -14.721 10.028 -10.296 578 HD23 LEU 123 HD23 LEU 123 -16.084 10.895 -9.586 579 H GLY 124 H GLY 124 -12.934 8.662 -5.859 580 HA2 GLY 124 HA2 GLY 124 -13.163 9.436 -3.236 581 HA3 GLY 124 HA3 GLY 124 -14.661 9.954 -4.003 582 H LEU 125 H LEU 125 -14.284 7.905 -1.953 583 HA LEU 125 HA LEU 125 -14.695 5.367 -3.246 584 HB2 LEU 125 HB2 LEU 125 -15.030 6.293 -0.396 585 HB3 LEU 125 HB3 LEU 125 -15.343 4.649 -0.907 586 HG LEU 125 HG LEU 125 -12.676 6.068 -1.048 587 HD11 LEU 125 HD11 LEU 125 -12.009 4.493 0.695 588 HD12 LEU 125 HD12 LEU 125 -13.650 3.846 0.745 589 HD13 LEU 125 HD13 LEU 125 -13.346 5.513 1.227 590 HD21 LEU 125 HD21 LEU 125 -12.968 4.459 -2.872 591 HD22 LEU 125 HD22 LEU 125 -13.397 3.211 -1.702 592 HD23 LEU 125 HD23 LEU 125 -11.773 3.900 -1.701 593 H GLY 126 H GLY 126 -16.806 6.587 -0.749 594 HA2 GLY 126 HA2 GLY 126 -18.960 7.169 -2.597 595 HA3 GLY 126 HA3 GLY 126 -19.226 5.762 -1.570 596 H ASN 127 H ASN 127 -19.668 6.009 0.551 597 HA ASN 127 HA ASN 127 -19.194 8.337 2.055 598 HB2 ASN 127 HB2 ASN 127 -20.993 9.303 0.669 599 HB3 ASN 127 HB3 ASN 127 -22.065 7.990 1.148 600 HD21 ASN 127 HD21 ASN 127 -22.993 8.002 3.168 601 HD22 ASN 127 HD22 ASN 127 -22.913 9.373 4.226 602 HA PRO 128 HA PRO 128 -19.961 4.967 4.905 603 HB2 PRO 128 HB2 PRO 128 -19.067 6.861 6.947 604 HB3 PRO 128 HB3 PRO 128 -18.315 5.349 6.430 605 HG2 PRO 128 HG2 PRO 128 -17.228 7.766 5.900 606 HG3 PRO 128 HG3 PRO 128 -17.053 6.383 4.804 607 HD2 PRO 128 HD2 PRO 128 -18.919 8.720 4.627 608 HD3 PRO 128 HD3 PRO 128 -17.974 7.936 3.342 Start of MODEL 4 1 H1 ALA 49 H1 ALA 49 -18.551 -10.422 -9.694 2 H2 ALA 49 H2 ALA 49 -17.147 -10.411 -10.643 3 H3 ALA 49 H3 ALA 49 -18.045 -8.990 -10.439 4 HA ALA 49 HA ALA 49 -17.550 -8.984 -8.080 5 HB1 ALA 49 HB1 ALA 49 -17.255 -11.399 -7.812 6 HB2 ALA 49 HB2 ALA 49 -15.869 -10.503 -7.187 7 HB3 ALA 49 HB3 ALA 49 -15.762 -11.318 -8.749 8 H ASN 50 H ASN 50 -15.350 -9.769 -10.743 9 HA ASN 50 HA ASN 50 -13.274 -8.038 -9.778 10 HB2 ASN 50 HB2 ASN 50 -12.701 -10.030 -11.062 11 HB3 ASN 50 HB3 ASN 50 -13.624 -9.439 -12.441 12 HD21 ASN 50 HD21 ASN 50 -11.871 -9.464 -13.808 13 HD22 ASN 50 HD22 ASN 50 -10.558 -8.341 -13.685 14 H GLN 51 H GLN 51 -13.890 -5.936 -9.683 15 HA GLN 51 HA GLN 51 -14.767 -4.627 -12.153 16 HB2 GLN 51 HB2 GLN 51 -14.329 -3.531 -9.365 17 HB3 GLN 51 HB3 GLN 51 -14.849 -2.566 -10.737 18 HG2 GLN 51 HG2 GLN 51 -16.890 -3.891 -10.898 19 HG3 GLN 51 HG3 GLN 51 -16.360 -4.871 -9.530 20 HE21 GLN 51 HE21 GLN 51 -18.731 -3.159 -9.856 21 HE22 GLN 51 HE22 GLN 51 -18.663 -2.018 -8.551 22 H GLN 52 H GLN 52 -12.439 -3.773 -9.642 23 HA GLN 52 HA GLN 52 -10.430 -3.189 -11.712 24 HB2 GLN 52 HB2 GLN 52 -10.585 -2.297 -8.819 25 HB3 GLN 52 HB3 GLN 52 -9.295 -1.876 -9.938 26 HG2 GLN 52 HG2 GLN 52 -10.804 -0.610 -11.295 27 HG3 GLN 52 HG3 GLN 52 -12.186 -1.162 -10.351 28 HE21 GLN 52 HE21 GLN 52 -10.775 -0.914 -7.815 29 HE22 GLN 52 HE22 GLN 52 -10.707 0.780 -7.471 30 H THR 53 H THR 53 -10.755 -4.461 -8.431 31 HA THR 53 HA THR 53 -8.547 -6.317 -8.933 32 HB THR 53 HB THR 53 -8.861 -6.643 -6.355 33 HG1 THR 53 HG1 THR 53 -9.959 -5.047 -5.343 34 HG21 THR 53 HG21 THR 53 -6.896 -5.607 -7.433 35 HG22 THR 53 HG22 THR 53 -7.319 -4.802 -5.922 36 HG23 THR 53 HG23 THR 53 -7.745 -4.063 -7.465 37 H SER 54 H SER 54 -8.818 -8.532 -8.511 38 HA SER 54 HA SER 54 -11.606 -9.423 -8.627 39 HB2 SER 54 HB2 SER 54 -10.526 -11.604 -9.388 40 HB3 SER 54 HB3 SER 54 -10.351 -10.229 -10.481 41 HG SER 54 HG SER 54 -8.434 -11.411 -8.769 42 H GLY 55 H GLY 55 -9.596 -8.808 -6.249 43 HA2 GLY 55 HA2 GLY 55 -10.752 -10.139 -4.222 44 HA3 GLY 55 HA3 GLY 55 -9.626 -11.337 -4.847 45 H LYS 56 H LYS 56 -8.117 -11.424 -3.287 46 HA LYS 56 HA LYS 56 -7.109 -8.978 -2.097 47 HB2 LYS 56 HB2 LYS 56 -6.899 -11.891 -1.462 48 HB3 LYS 56 HB3 LYS 56 -5.663 -10.802 -0.849 49 HG2 LYS 56 HG2 LYS 56 -7.380 -11.132 0.810 50 HG3 LYS 56 HG3 LYS 56 -7.390 -9.464 0.242 51 HD2 LYS 56 HD2 LYS 56 -9.264 -10.019 -1.260 52 HD3 LYS 56 HD3 LYS 56 -9.295 -11.650 -0.579 53 HE2 LYS 56 HE2 LYS 56 -9.739 -10.719 1.631 54 HE3 LYS 56 HE3 LYS 56 -9.671 -9.089 0.963 55 HZ1 LYS 56 HZ1 LYS 56 -11.652 -11.170 0.208 56 HZ2 LYS 56 HZ2 LYS 56 -11.606 -9.578 -0.383 57 HZ3 LYS 56 HZ3 LYS 56 -11.947 -9.867 1.251 58 H VAL 57 H VAL 57 -4.820 -8.587 -1.903 59 HA VAL 57 HA VAL 57 -3.501 -9.099 -4.464 60 HB VAL 57 HB VAL 57 -2.447 -7.321 -2.282 61 HG11 VAL 57 HG11 VAL 57 -2.088 -7.490 -5.257 62 HG12 VAL 57 HG12 VAL 57 -0.871 -7.611 -3.980 63 HG13 VAL 57 HG13 VAL 57 -1.630 -6.059 -4.331 64 HG21 VAL 57 HG21 VAL 57 -3.763 -5.530 -2.862 65 HG22 VAL 57 HG22 VAL 57 -4.912 -6.867 -2.946 66 HG23 VAL 57 HG23 VAL 57 -4.206 -6.219 -4.428 67 H LEU 58 H LEU 58 -1.689 -10.311 -4.656 68 HA LEU 58 HA LEU 58 -0.685 -11.592 -2.218 69 HB2 LEU 58 HB2 LEU 58 -1.574 -13.033 -4.039 70 HB3 LEU 58 HB3 LEU 58 -0.312 -12.427 -5.098 71 HG LEU 58 HG LEU 58 1.321 -13.339 -3.316 72 HD11 LEU 58 HD11 LEU 58 -0.915 -15.197 -2.660 73 HD12 LEU 58 HD12 LEU 58 -0.742 -13.689 -1.767 74 HD13 LEU 58 HD13 LEU 58 0.573 -14.870 -1.769 75 HD21 LEU 58 HD21 LEU 58 1.067 -14.308 -5.537 76 HD22 LEU 58 HD22 LEU 58 -0.344 -15.215 -4.993 77 HD23 LEU 58 HD23 LEU 58 1.246 -15.574 -4.323 78 H TYR 59 H TYR 59 1.147 -10.818 -1.428 79 HA TYR 59 HA TYR 59 3.237 -9.936 -3.309 80 HB2 TYR 59 HB2 TYR 59 3.700 -8.004 -2.130 81 HB3 TYR 59 HB3 TYR 59 1.961 -8.103 -1.884 82 HD1 TYR 59 HD1 TYR 59 1.203 -9.346 0.285 83 HD2 TYR 59 HD2 TYR 59 5.086 -7.735 -0.314 84 HE1 TYR 59 HE1 TYR 59 1.589 -9.380 2.714 85 HE2 TYR 59 HE2 TYR 59 5.477 -7.745 2.113 86 HH TYR 59 HH TYR 59 3.993 -7.692 4.232 87 H GLU 60 H GLU 60 4.954 -11.166 -3.171 88 HA GLU 60 HA GLU 60 6.549 -12.592 -2.450 89 HB2 GLU 60 HB2 GLU 60 5.997 -11.413 0.259 90 HB3 GLU 60 HB3 GLU 60 7.441 -12.299 -0.208 91 HG2 GLU 60 HG2 GLU 60 8.011 -10.577 -1.807 92 HG3 GLU 60 HG3 GLU 60 6.530 -9.705 -1.407 93 H GLY 61 H GLY 61 3.607 -13.292 -2.163 94 HA2 GLY 61 HA2 GLY 61 2.863 -15.559 -1.945 95 HA3 GLY 61 HA3 GLY 61 4.084 -15.803 -0.707 96 H LYS 62 H LYS 62 2.850 -12.906 0.079 97 HA LYS 62 HA LYS 62 0.843 -14.094 1.884 98 HB2 LYS 62 HB2 LYS 62 2.856 -12.690 2.720 99 HB3 LYS 62 HB3 LYS 62 1.938 -11.318 2.119 100 HG2 LYS 62 HG2 LYS 62 0.060 -11.960 3.560 101 HG3 LYS 62 HG3 LYS 62 1.039 -13.280 4.208 102 HD2 LYS 62 HD2 LYS 62 1.595 -10.327 4.415 103 HD3 LYS 62 HD3 LYS 62 1.155 -11.428 5.720 104 HE2 LYS 62 HE2 LYS 62 3.232 -12.617 5.491 105 HE3 LYS 62 HE3 LYS 62 3.658 -11.674 4.064 106 HZ1 LYS 62 HZ1 LYS 62 3.742 -9.691 5.432 107 HZ2 LYS 62 HZ2 LYS 62 4.814 -10.866 6.019 108 HZ3 LYS 62 HZ3 LYS 62 3.338 -10.589 6.812 109 H GLU 63 H GLU 63 -1.198 -13.071 2.111 110 HA GLU 63 HA GLU 63 -1.907 -11.389 -0.198 111 HB2 GLU 63 HB2 GLU 63 -3.584 -13.325 1.381 112 HB3 GLU 63 HB3 GLU 63 -4.267 -12.176 0.240 113 HG2 GLU 63 HG2 GLU 63 -2.809 -13.193 -1.515 114 HG3 GLU 63 HG3 GLU 63 -2.376 -14.437 -0.342 115 H PHE 64 H PHE 64 -2.988 -9.544 0.048 116 HA PHE 64 HA PHE 64 -3.830 -8.704 2.725 117 HB2 PHE 64 HB2 PHE 64 -1.670 -7.532 1.094 118 HB3 PHE 64 HB3 PHE 64 -2.788 -6.373 1.780 119 HD1 PHE 64 HD1 PHE 64 -3.090 -6.310 4.265 120 HD2 PHE 64 HD2 PHE 64 -0.064 -8.632 2.398 121 HE1 PHE 64 HE1 PHE 64 -1.896 -6.474 6.410 122 HE2 PHE 64 HE2 PHE 64 1.133 -8.808 4.538 123 HZ PHE 64 HZ PHE 64 0.220 -7.726 6.551 124 H ASP 65 H ASP 65 -5.016 -6.515 2.535 125 HA ASP 65 HA ASP 65 -7.234 -6.874 0.850 126 HB2 ASP 65 HB2 ASP 65 -6.297 -4.426 2.352 127 HB3 ASP 65 HB3 ASP 65 -7.800 -4.473 1.446 128 H TYR 66 H TYR 66 -5.052 -4.073 0.749 129 HA TYR 66 HA TYR 66 -4.880 -4.342 -2.163 130 HB2 TYR 66 HB2 TYR 66 -5.767 -1.863 -0.679 131 HB3 TYR 66 HB3 TYR 66 -5.199 -1.835 -2.345 132 HD1 TYR 66 HD1 TYR 66 -6.465 -3.241 -4.047 133 HD2 TYR 66 HD2 TYR 66 -8.012 -2.344 -0.190 134 HE1 TYR 66 HE1 TYR 66 -8.727 -3.773 -4.840 135 HE2 TYR 66 HE2 TYR 66 -10.282 -2.876 -0.973 136 HH TYR 66 HH TYR 66 -11.506 -2.929 -3.197 137 H VAL 67 H VAL 67 -2.697 -4.804 -2.191 138 HA VAL 67 HA VAL 67 -0.908 -3.001 -0.774 139 HB VAL 67 HB VAL 67 0.758 -4.499 -0.980 140 HG11 VAL 67 HG11 VAL 67 -1.182 -5.705 -0.063 141 HG12 VAL 67 HG12 VAL 67 0.007 -6.761 -0.816 142 HG13 VAL 67 HG13 VAL 67 -1.493 -6.374 -1.667 143 HG21 VAL 67 HG21 VAL 67 -0.118 -5.820 -3.502 144 HG22 VAL 67 HG22 VAL 67 1.514 -5.577 -2.862 145 HG23 VAL 67 HG23 VAL 67 0.631 -4.226 -3.580 146 H PHE 68 H PHE 68 0.338 -1.477 -1.732 147 HA PHE 68 HA PHE 68 -0.561 -0.613 -4.360 148 HB2 PHE 68 HB2 PHE 68 -0.482 1.055 -2.588 149 HB3 PHE 68 HB3 PHE 68 1.210 0.700 -2.287 150 HD1 PHE 68 HD1 PHE 68 -0.817 1.512 -5.330 151 HD2 PHE 68 HD2 PHE 68 2.600 2.354 -2.954 152 HE1 PHE 68 HE1 PHE 68 -0.134 3.254 -6.931 153 HE2 PHE 68 HE2 PHE 68 3.289 4.102 -4.545 154 HZ PHE 68 HZ PHE 68 1.920 4.550 -6.540 155 H SER 69 H SER 69 0.775 -0.312 -6.129 156 HA SER 69 HA SER 69 3.300 -1.793 -6.012 157 HB2 SER 69 HB2 SER 69 1.489 -2.363 -7.699 158 HB3 SER 69 HB3 SER 69 1.852 -0.828 -8.479 159 HG SER 69 HG SER 69 3.323 -1.946 -9.483 160 H ILE 70 H ILE 70 5.075 -0.674 -5.839 161 HA ILE 70 HA ILE 70 5.005 2.204 -6.419 162 HB ILE 70 HB ILE 70 6.892 0.675 -4.626 163 HG12 ILE 70 HG12 ILE 70 4.408 2.283 -4.032 164 HG13 ILE 70 HG13 ILE 70 4.725 0.596 -3.628 165 HG21 ILE 70 HG21 ILE 70 8.087 2.549 -5.202 166 HG22 ILE 70 HG22 ILE 70 7.226 3.119 -3.769 167 HG23 ILE 70 HG23 ILE 70 6.647 3.553 -5.376 168 HD11 ILE 70 HD11 ILE 70 6.186 1.177 -1.905 169 HD12 ILE 70 HD12 ILE 70 4.855 2.317 -1.761 170 HD13 ILE 70 HD13 ILE 70 6.375 2.822 -2.498 171 H ASP 71 H ASP 71 6.046 2.898 -8.109 172 HA ASP 71 HA ASP 71 7.907 1.225 -9.545 173 HB2 ASP 71 HB2 ASP 71 7.917 3.004 -11.208 174 HB3 ASP 71 HB3 ASP 71 6.259 2.638 -10.742 175 H VAL 72 H VAL 72 10.079 1.665 -9.902 176 HA VAL 72 HA VAL 72 11.344 3.959 -8.757 177 HB VAL 72 HB VAL 72 11.154 2.681 -6.713 178 HG11 VAL 72 HG11 VAL 72 12.361 0.487 -6.512 179 HG12 VAL 72 HG12 VAL 72 12.457 0.467 -8.272 180 HG13 VAL 72 HG13 VAL 72 10.884 0.454 -7.476 181 HG21 VAL 72 HG21 VAL 72 13.519 2.521 -6.086 182 HG22 VAL 72 HG22 VAL 72 13.180 3.988 -7.005 183 HG23 VAL 72 HG23 VAL 72 13.971 2.619 -7.788 184 H ASN 73 H ASN 73 11.899 0.659 -9.967 185 HA ASN 73 HA ASN 73 14.062 1.743 -11.644 186 HB2 ASN 73 HB2 ASN 73 14.805 0.033 -10.002 187 HB3 ASN 73 HB3 ASN 73 13.686 -1.118 -10.721 188 HD21 ASN 73 HD21 ASN 73 15.637 1.241 -12.467 189 HD22 ASN 73 HD22 ASN 73 16.598 0.078 -13.312 190 H GLU 74 H GLU 74 13.555 1.910 -13.715 191 HA GLU 74 HA GLU 74 11.163 0.974 -14.850 192 HB2 GLU 74 HB2 GLU 74 13.661 1.699 -16.389 193 HB3 GLU 74 HB3 GLU 74 12.006 1.747 -16.969 194 HG2 GLU 74 HG2 GLU 74 12.498 3.969 -16.590 195 HG3 GLU 74 HG3 GLU 74 11.637 3.500 -15.125 196 H GLY 75 H GLY 75 10.644 -1.065 -15.248 197 HA2 GLY 75 HA2 GLY 75 10.788 -3.242 -15.978 198 HA3 GLY 75 HA3 GLY 75 12.239 -2.776 -16.856 199 H GLY 76 H GLY 76 11.592 -2.590 -13.412 200 HA2 GLY 76 HA2 GLY 76 13.557 -4.682 -12.864 201 HA3 GLY 76 HA3 GLY 76 13.947 -3.054 -12.327 202 HA PRO 77 HA PRO 77 11.867 -5.403 -8.866 203 HB2 PRO 77 HB2 PRO 77 13.195 -3.825 -6.991 204 HB3 PRO 77 HB3 PRO 77 13.711 -5.421 -7.540 205 HG2 PRO 77 HG2 PRO 77 14.628 -2.720 -8.416 206 HG3 PRO 77 HG3 PRO 77 15.568 -4.208 -8.194 207 HD2 PRO 77 HD2 PRO 77 14.886 -3.348 -10.632 208 HD3 PRO 77 HD3 PRO 77 14.895 -5.080 -10.240 209 H SER 78 H SER 78 9.987 -4.796 -8.039 210 HA SER 78 HA SER 78 9.425 -1.914 -7.821 211 HB2 SER 78 HB2 SER 78 7.452 -4.111 -8.500 212 HB3 SER 78 HB3 SER 78 7.110 -2.380 -8.419 213 HG SER 78 HG SER 78 9.185 -3.214 -10.092 214 H TYR 79 H TYR 79 8.177 -1.242 -6.051 215 HA TYR 79 HA TYR 79 8.406 -3.005 -3.739 216 HB2 TYR 79 HB2 TYR 79 7.861 -0.043 -4.014 217 HB3 TYR 79 HB3 TYR 79 7.886 -0.887 -2.473 218 HD1 TYR 79 HD1 TYR 79 10.196 -2.543 -2.500 219 HD2 TYR 79 HD2 TYR 79 9.703 1.306 -4.240 220 HE1 TYR 79 HE1 TYR 79 12.621 -2.155 -2.324 221 HE2 TYR 79 HE2 TYR 79 12.125 1.701 -4.072 222 HH TYR 79 HH TYR 79 14.030 0.911 -2.743 223 H LYS 80 H LYS 80 6.599 -3.608 -2.502 224 HA LYS 80 HA LYS 80 4.022 -2.695 -3.577 225 HB2 LYS 80 HB2 LYS 80 4.488 -5.429 -2.359 226 HB3 LYS 80 HB3 LYS 80 3.020 -4.847 -3.131 227 HG2 LYS 80 HG2 LYS 80 5.652 -5.366 -4.476 228 HG3 LYS 80 HG3 LYS 80 4.213 -6.368 -4.580 229 HD2 LYS 80 HD2 LYS 80 3.994 -3.506 -5.350 230 HD3 LYS 80 HD3 LYS 80 4.818 -4.595 -6.459 231 HE2 LYS 80 HE2 LYS 80 2.634 -6.063 -5.948 232 HE3 LYS 80 HE3 LYS 80 1.965 -4.451 -5.687 233 HZ1 LYS 80 HZ1 LYS 80 2.806 -3.830 -7.904 234 HZ2 LYS 80 HZ2 LYS 80 1.656 -5.073 -7.966 235 HZ3 LYS 80 HZ3 LYS 80 3.304 -5.430 -8.153 236 H LEU 81 H LEU 81 2.607 -1.891 -2.139 237 HA LEU 81 HA LEU 81 3.452 -1.852 0.690 238 HB2 LEU 81 HB2 LEU 81 3.137 0.223 -0.975 239 HB3 LEU 81 HB3 LEU 81 1.508 0.118 -0.362 240 HG LEU 81 HG LEU 81 4.009 0.940 1.006 241 HD11 LEU 81 HD11 LEU 81 2.604 2.675 1.837 242 HD12 LEU 81 HD12 LEU 81 1.163 1.828 1.288 243 HD13 LEU 81 HD13 LEU 81 2.289 2.495 0.109 244 HD21 LEU 81 HD21 LEU 81 2.980 0.569 3.204 245 HD22 LEU 81 HD22 LEU 81 3.311 -0.942 2.357 246 HD23 LEU 81 HD23 LEU 81 1.665 -0.316 2.430 247 HA PRO 82 HA PRO 82 -0.441 -4.349 0.794 248 HB2 PRO 82 HB2 PRO 82 0.808 -5.086 3.372 249 HB3 PRO 82 HB3 PRO 82 0.116 -6.115 2.119 250 HG2 PRO 82 HG2 PRO 82 2.735 -5.981 2.424 251 HG3 PRO 82 HG3 PRO 82 2.022 -6.018 0.800 252 HD2 PRO 82 HD2 PRO 82 3.075 -3.665 2.333 253 HD3 PRO 82 HD3 PRO 82 3.313 -4.089 0.630 254 H TYR 83 H TYR 83 -2.114 -3.073 1.263 255 HA TYR 83 HA TYR 83 -2.174 -1.726 3.884 256 HB2 TYR 83 HB2 TYR 83 -1.964 -0.068 2.162 257 HB3 TYR 83 HB3 TYR 83 -3.208 -0.836 1.186 258 HD1 TYR 83 HD1 TYR 83 -3.197 0.177 4.793 259 HD2 TYR 83 HD2 TYR 83 -4.927 0.676 0.945 260 HE1 TYR 83 HE1 TYR 83 -4.859 1.705 5.749 261 HE2 TYR 83 HE2 TYR 83 -6.608 2.199 1.893 262 HH TYR 83 HH TYR 83 -6.343 3.446 5.096 263 H ASN 84 H ASN 84 -3.729 -2.434 5.208 264 HA ASN 84 HA ASN 84 -6.136 -3.687 4.075 265 HB2 ASN 84 HB2 ASN 84 -5.432 -3.413 7.010 266 HB3 ASN 84 HB3 ASN 84 -6.660 -4.451 6.300 267 HD21 ASN 84 HD21 ASN 84 -3.414 -4.113 7.208 268 HD22 ASN 84 HD22 ASN 84 -2.862 -5.671 6.679 269 H THR 85 H THR 85 -8.199 -2.796 4.533 270 HA THR 85 HA THR 85 -8.073 0.025 4.298 271 HB THR 85 HB THR 85 -10.507 -0.024 4.099 272 HG1 THR 85 HG1 THR 85 -10.251 -2.784 4.838 273 HG21 THR 85 HG21 THR 85 -8.870 -0.805 2.296 274 HG22 THR 85 HG22 THR 85 -10.579 -1.204 2.083 275 HG23 THR 85 HG23 THR 85 -9.448 -2.433 2.659 276 H SER 86 H SER 86 -8.053 -1.832 7.056 277 HA SER 86 HA SER 86 -9.324 0.272 8.661 278 HB2 SER 86 HB2 SER 86 -10.109 -2.084 8.975 279 HB3 SER 86 HB3 SER 86 -8.495 -2.498 9.543 280 HG SER 86 HG SER 86 -9.042 -0.515 11.025 281 H ASP 87 H ASP 87 -6.450 -0.074 7.418 282 HA ASP 87 HA ASP 87 -4.958 0.383 9.918 283 HB2 ASP 87 HB2 ASP 87 -4.118 -0.548 7.195 284 HB3 ASP 87 HB3 ASP 87 -2.941 0.191 8.276 285 H ASP 88 H ASP 88 -3.488 2.108 10.077 286 HA ASP 88 HA ASP 88 -4.406 4.524 8.769 287 HB2 ASP 88 HB2 ASP 88 -2.225 4.144 10.842 288 HB3 ASP 88 HB3 ASP 88 -2.874 5.688 10.302 289 HA PRO 89 HA PRO 89 -1.404 4.823 5.571 290 HB2 PRO 89 HB2 PRO 89 -0.648 7.478 5.897 291 HB3 PRO 89 HB3 PRO 89 -2.019 6.919 4.941 292 HG2 PRO 89 HG2 PRO 89 -1.959 8.000 7.720 293 HG3 PRO 89 HG3 PRO 89 -3.170 8.233 6.446 294 HD2 PRO 89 HD2 PRO 89 -3.611 6.581 8.482 295 HD3 PRO 89 HD3 PRO 89 -4.170 6.182 6.849 296 H TRP 90 H TRP 90 -0.301 6.865 8.267 297 HA TRP 90 HA TRP 90 2.408 6.541 7.691 298 HB2 TRP 90 HB2 TRP 90 2.774 7.416 10.020 299 HB3 TRP 90 HB3 TRP 90 1.750 8.412 8.996 300 HD1 TRP 90 HD1 TRP 90 1.513 6.028 12.014 301 HE1 TRP 90 HE1 TRP 90 -0.683 6.522 13.273 302 HE3 TRP 90 HE3 TRP 90 -0.529 9.397 8.762 303 HZ2 TRP 90 HZ2 TRP 90 -2.969 8.141 12.921 304 HZ3 TRP 90 HZ3 TRP 90 -2.722 10.373 9.295 305 HH2 TRP 90 HH2 TRP 90 -3.915 9.755 11.333 306 H LEU 91 H LEU 91 0.239 4.519 9.505 307 HA LEU 91 HA LEU 91 2.335 2.997 10.752 308 HB2 LEU 91 HB2 LEU 91 -0.599 2.401 10.383 309 HB3 LEU 91 HB3 LEU 91 0.504 1.406 11.313 310 HG LEU 91 HG LEU 91 -0.313 4.232 11.948 311 HD11 LEU 91 HD11 LEU 91 -1.302 3.238 13.932 312 HD12 LEU 91 HD12 LEU 91 -0.841 1.649 13.342 313 HD13 LEU 91 HD13 LEU 91 -2.019 2.599 12.452 314 HD21 LEU 91 HD21 LEU 91 1.074 4.062 13.907 315 HD22 LEU 91 HD22 LEU 91 2.052 3.775 12.466 316 HD23 LEU 91 HD23 LEU 91 1.542 2.417 13.468 317 H THR 92 H THR 92 -0.018 2.311 8.177 318 HA THR 92 HA THR 92 0.914 -0.182 7.391 319 HB THR 92 HB THR 92 -0.291 1.990 5.667 320 HG1 THR 92 HG1 THR 92 -1.807 1.576 7.150 321 HG21 THR 92 HG21 THR 92 0.676 0.295 4.271 322 HG22 THR 92 HG22 THR 92 -1.076 0.098 4.270 323 HG23 THR 92 HG23 THR 92 -0.066 -0.985 5.232 324 H ALA 93 H ALA 93 1.894 3.022 6.293 325 HA ALA 93 HA ALA 93 3.673 2.125 4.280 326 HB1 ALA 93 HB1 ALA 93 2.703 4.324 4.197 327 HB2 ALA 93 HB2 ALA 93 4.456 4.474 4.339 328 HB3 ALA 93 HB3 ALA 93 3.433 4.744 5.745 329 H TYR 94 H TYR 94 4.019 3.051 7.656 330 HA TYR 94 HA TYR 94 6.833 2.980 7.802 331 HB2 TYR 94 HB2 TYR 94 5.055 3.906 9.448 332 HB3 TYR 94 HB3 TYR 94 5.003 2.265 10.078 333 HD1 TYR 94 HD1 TYR 94 7.172 1.256 10.919 334 HD2 TYR 94 HD2 TYR 94 6.699 5.404 10.165 335 HE1 TYR 94 HE1 TYR 94 9.096 1.733 12.384 336 HE2 TYR 94 HE2 TYR 94 8.621 5.901 11.612 337 HH TYR 94 HH TYR 94 10.724 3.435 12.784 338 H ASN 95 H ASN 95 4.306 0.550 8.317 339 HA ASN 95 HA ASN 95 5.833 -1.624 9.148 340 HB2 ASN 95 HB2 ASN 95 3.301 -1.387 7.573 341 HB3 ASN 95 HB3 ASN 95 4.060 -2.956 7.715 342 HD21 ASN 95 HD21 ASN 95 2.397 -0.422 9.399 343 HD22 ASN 95 HD22 ASN 95 2.068 -1.325 10.840 344 H PHE 96 H PHE 96 4.948 -0.729 5.814 345 HA PHE 96 HA PHE 96 6.512 -2.768 4.635 346 HB2 PHE 96 HB2 PHE 96 4.744 -1.902 3.326 347 HB3 PHE 96 HB3 PHE 96 5.301 -0.240 3.511 348 HD1 PHE 96 HD1 PHE 96 6.647 -3.509 2.300 349 HD2 PHE 96 HD2 PHE 96 6.306 0.684 1.663 350 HE1 PHE 96 HE1 PHE 96 7.927 -3.724 0.212 351 HE2 PHE 96 HE2 PHE 96 7.586 0.473 -0.425 352 HZ PHE 96 HZ PHE 96 8.397 -1.733 -1.150 353 H LEU 97 H LEU 97 7.166 0.583 5.459 354 HA LEU 97 HA LEU 97 9.621 0.826 4.130 355 HB2 LEU 97 HB2 LEU 97 8.046 2.413 5.777 356 HB3 LEU 97 HB3 LEU 97 9.560 2.257 6.642 357 HG LEU 97 HG LEU 97 10.753 3.060 4.621 358 HD11 LEU 97 HD11 LEU 97 7.983 3.630 3.584 359 HD12 LEU 97 HD12 LEU 97 9.008 2.308 3.033 360 HD13 LEU 97 HD13 LEU 97 9.514 3.980 2.778 361 HD21 LEU 97 HD21 LEU 97 9.793 4.532 6.519 362 HD22 LEU 97 HD22 LEU 97 8.629 5.051 5.297 363 HD23 LEU 97 HD23 LEU 97 10.351 5.302 5.036 364 H GLN 98 H GLN 98 8.810 -0.460 7.322 365 HA GLN 98 HA GLN 98 11.566 -1.022 7.945 366 HB2 GLN 98 HB2 GLN 98 9.029 -2.035 9.235 367 HB3 GLN 98 HB3 GLN 98 10.651 -2.281 9.863 368 HG2 GLN 98 HG2 GLN 98 9.175 0.323 9.586 369 HG3 GLN 98 HG3 GLN 98 9.646 -0.500 11.069 370 HE21 GLN 98 HE21 GLN 98 10.706 1.444 8.414 371 HE22 GLN 98 HE22 GLN 98 12.259 1.850 9.054 372 H LYS 99 H LYS 99 8.832 -2.741 6.599 373 HA LYS 99 HA LYS 99 9.785 -5.359 6.715 374 HB2 LYS 99 HB2 LYS 99 7.460 -4.707 6.161 375 HB3 LYS 99 HB3 LYS 99 8.018 -4.086 4.618 376 HG2 LYS 99 HG2 LYS 99 8.728 -6.891 5.115 377 HG3 LYS 99 HG3 LYS 99 6.997 -6.572 5.004 378 HD2 LYS 99 HD2 LYS 99 7.208 -6.598 2.786 379 HD3 LYS 99 HD3 LYS 99 8.154 -5.115 2.914 380 HE2 LYS 99 HE2 LYS 99 9.453 -6.647 1.656 381 HE3 LYS 99 HE3 LYS 99 10.180 -6.558 3.258 382 HZ1 LYS 99 HZ1 LYS 99 10.088 -8.825 2.557 383 HZ2 LYS 99 HZ2 LYS 99 8.430 -8.718 2.216 384 HZ3 LYS 99 HZ3 LYS 99 8.976 -8.623 3.821 385 H ASN 100 H ASN 100 10.234 -2.885 4.211 386 HA ASN 100 HA ASN 100 11.969 -4.736 2.735 387 HB2 ASN 100 HB2 ASN 100 10.052 -3.238 1.710 388 HB3 ASN 100 HB3 ASN 100 11.294 -1.998 1.745 389 HD21 ASN 100 HD21 ASN 100 10.242 -4.939 0.278 390 HD22 ASN 100 HD22 ASN 100 11.415 -4.976 -0.997 391 H ASP 101 H ASP 101 12.208 -2.495 5.081 392 HA ASP 101 HA ASP 101 13.811 -1.176 5.978 393 HB2 ASP 101 HB2 ASP 101 15.165 -3.272 5.699 394 HB3 ASP 101 HB3 ASP 101 15.756 -2.617 4.177 395 H LEU 102 H LEU 102 12.509 0.355 4.516 396 HA LEU 102 HA LEU 102 14.171 1.539 2.420 397 HB2 LEU 102 HB2 LEU 102 11.308 2.016 3.221 398 HB3 LEU 102 HB3 LEU 102 12.132 2.950 2.002 399 HG LEU 102 HG LEU 102 11.326 1.528 0.518 400 HD11 LEU 102 HD11 LEU 102 12.398 -0.609 0.196 401 HD12 LEU 102 HD12 LEU 102 13.055 -0.539 1.832 402 HD13 LEU 102 HD13 LEU 102 13.583 0.629 0.617 403 HD21 LEU 102 HD21 LEU 102 9.532 0.812 1.738 404 HD22 LEU 102 HD22 LEU 102 10.532 -0.008 2.930 405 HD23 LEU 102 HD23 LEU 102 10.322 -0.710 1.325 406 H ASN 103 H ASN 103 13.925 3.954 2.300 407 HA ASN 103 HA ASN 103 14.964 5.180 4.666 408 HB2 ASN 103 HB2 ASN 103 15.581 5.686 2.243 409 HB3 ASN 103 HB3 ASN 103 14.026 6.475 2.121 410 HD21 ASN 103 HD21 ASN 103 16.802 7.445 1.856 411 HD22 ASN 103 HD22 ASN 103 16.895 8.815 2.916 412 HA PRO 104 HA PRO 104 11.100 6.325 6.570 413 HB2 PRO 104 HB2 PRO 104 12.760 8.581 7.580 414 HB3 PRO 104 HB3 PRO 104 11.783 7.412 8.477 415 HG2 PRO 104 HG2 PRO 104 14.435 7.214 8.461 416 HG3 PRO 104 HG3 PRO 104 13.424 5.759 8.359 417 HD2 PRO 104 HD2 PRO 104 14.905 7.193 6.182 418 HD3 PRO 104 HD3 PRO 104 14.716 5.451 6.447 419 H MET 105 H MET 105 12.963 8.301 4.471 420 HA MET 105 HA MET 105 11.307 10.581 4.278 421 HB2 MET 105 HB2 MET 105 13.625 10.460 3.445 422 HB3 MET 105 HB3 MET 105 13.110 9.333 2.205 423 HG2 MET 105 HG2 MET 105 11.625 11.078 1.287 424 HG3 MET 105 HG3 MET 105 12.276 12.210 2.471 425 HE1 MET 105 HE1 MET 105 14.794 10.253 -0.871 426 HE2 MET 105 HE2 MET 105 13.070 9.956 -0.645 427 HE3 MET 105 HE3 MET 105 14.229 9.371 0.547 428 H PHE 106 H PHE 106 10.949 7.357 3.124 429 HA PHE 106 HA PHE 106 9.266 8.052 0.873 430 HB2 PHE 106 HB2 PHE 106 10.056 5.439 2.132 431 HB3 PHE 106 HB3 PHE 106 8.899 5.531 0.814 432 HD1 PHE 106 HD1 PHE 106 9.787 6.964 -1.258 433 HD2 PHE 106 HD2 PHE 106 12.245 5.005 1.617 434 HE1 PHE 106 HE1 PHE 106 11.640 6.920 -2.875 435 HE2 PHE 106 HE2 PHE 106 14.099 4.961 0.001 436 HZ PHE 106 HZ PHE 106 13.798 5.917 -2.249 437 H LEU 107 H LEU 107 8.897 7.559 4.191 438 HA LEU 107 HA LEU 107 6.565 6.101 4.445 439 HB2 LEU 107 HB2 LEU 107 7.984 6.527 6.304 440 HB3 LEU 107 HB3 LEU 107 7.770 8.258 6.170 441 HG LEU 107 HG LEU 107 5.488 8.069 6.977 442 HD11 LEU 107 HD11 LEU 107 5.979 5.117 7.265 443 HD12 LEU 107 HD12 LEU 107 5.109 5.828 5.911 444 HD13 LEU 107 HD13 LEU 107 4.478 5.999 7.550 445 HD21 LEU 107 HD21 LEU 107 7.406 8.148 8.574 446 HD22 LEU 107 HD22 LEU 107 7.304 6.384 8.689 447 HD23 LEU 107 HD23 LEU 107 5.950 7.392 9.223 448 H ASP 108 H ASP 108 6.870 9.648 4.092 449 HA ASP 108 HA ASP 108 4.115 10.165 4.405 450 HB2 ASP 108 HB2 ASP 108 5.727 11.980 4.561 451 HB3 ASP 108 HB3 ASP 108 6.212 11.738 2.885 452 H GLN 109 H GLN 109 6.059 9.564 1.512 453 HA GLN 109 HA GLN 109 4.123 10.103 -0.415 454 HB2 GLN 109 HB2 GLN 109 6.349 9.950 -1.135 455 HB3 GLN 109 HB3 GLN 109 6.599 8.407 -0.333 456 HG2 GLN 109 HG2 GLN 109 5.187 7.312 -1.957 457 HG3 GLN 109 HG3 GLN 109 4.887 8.851 -2.767 458 HE21 GLN 109 HE21 GLN 109 6.104 6.406 -3.808 459 HE22 GLN 109 HE22 GLN 109 7.670 6.861 -4.373 460 H VAL 110 H VAL 110 5.085 6.972 0.981 461 HA VAL 110 HA VAL 110 3.129 5.477 -0.410 462 HB VAL 110 HB VAL 110 3.596 3.813 1.586 463 HG11 VAL 110 HG11 VAL 110 5.364 2.902 0.382 464 HG12 VAL 110 HG12 VAL 110 5.945 4.486 -0.096 465 HG13 VAL 110 HG13 VAL 110 4.487 3.833 -0.833 466 HG21 VAL 110 HG21 VAL 110 5.540 4.162 2.826 467 HG22 VAL 110 HG22 VAL 110 4.685 5.700 2.899 468 HG23 VAL 110 HG23 VAL 110 6.049 5.507 1.807 469 H ALA 111 H ALA 111 3.177 6.909 2.824 470 HA ALA 111 HA ALA 111 0.738 5.838 3.747 471 HB1 ALA 111 HB1 ALA 111 2.009 8.460 4.523 472 HB2 ALA 111 HB2 ALA 111 2.414 6.883 5.209 473 HB3 ALA 111 HB3 ALA 111 0.800 7.563 5.441 474 H LYS 112 H LYS 112 1.452 8.804 1.957 475 HA LYS 112 HA LYS 112 -1.159 9.846 2.105 476 HB2 LYS 112 HB2 LYS 112 1.136 10.373 0.235 477 HB3 LYS 112 HB3 LYS 112 -0.410 11.207 0.079 478 HG2 LYS 112 HG2 LYS 112 1.288 11.187 2.562 479 HG3 LYS 112 HG3 LYS 112 1.254 12.492 1.369 480 HD2 LYS 112 HD2 LYS 112 -0.983 13.022 1.875 481 HD3 LYS 112 HD3 LYS 112 -1.232 11.507 2.742 482 HE2 LYS 112 HE2 LYS 112 -1.033 13.420 4.258 483 HE3 LYS 112 HE3 LYS 112 0.251 12.234 4.509 484 HZ1 LYS 112 HZ1 LYS 112 0.557 14.712 2.899 485 HZ2 LYS 112 HZ2 LYS 112 1.782 13.612 3.318 486 HZ3 LYS 112 HZ3 LYS 112 1.043 14.558 4.513 487 H PHE 113 H PHE 113 0.410 7.725 -0.278 488 HA PHE 113 HA PHE 113 -1.844 7.656 -1.998 489 HB2 PHE 113 HB2 PHE 113 0.556 6.798 -2.491 490 HB3 PHE 113 HB3 PHE 113 0.022 5.315 -1.700 491 HD1 PHE 113 HD1 PHE 113 -1.970 4.106 -2.588 492 HD2 PHE 113 HD2 PHE 113 -0.128 7.294 -4.709 493 HE1 PHE 113 HE1 PHE 113 -3.123 3.393 -4.642 494 HE2 PHE 113 HE2 PHE 113 -1.271 6.592 -6.771 495 HZ PHE 113 HZ PHE 113 -2.776 4.641 -6.740 496 H ILE 114 H ILE 114 -0.855 5.697 0.773 497 HA ILE 114 HA ILE 114 -2.881 3.832 0.882 498 HB ILE 114 HB ILE 114 -1.466 5.347 3.045 499 HG12 ILE 114 HG12 ILE 114 -1.317 2.406 2.527 500 HG13 ILE 114 HG13 ILE 114 -0.424 3.521 1.495 501 HG21 ILE 114 HG21 ILE 114 -3.930 4.127 3.387 502 HG22 ILE 114 HG22 ILE 114 -2.782 4.572 4.643 503 HG23 ILE 114 HG23 ILE 114 -2.760 2.944 3.975 504 HD11 ILE 114 HD11 ILE 114 0.720 2.476 3.557 505 HD12 ILE 114 HD12 ILE 114 -0.178 3.709 4.448 506 HD13 ILE 114 HD13 ILE 114 0.956 4.182 3.192 507 H ILE 115 H ILE 115 -2.871 7.111 2.234 508 HA ILE 115 HA ILE 115 -5.491 7.202 3.145 509 HB ILE 115 HB ILE 115 -3.663 9.373 2.151 510 HG12 ILE 115 HG12 ILE 115 -4.699 8.849 4.929 511 HG13 ILE 115 HG13 ILE 115 -3.269 8.037 4.302 512 HG21 ILE 115 HG21 ILE 115 -5.757 10.328 1.733 513 HG22 ILE 115 HG22 ILE 115 -5.347 10.904 3.348 514 HG23 ILE 115 HG23 ILE 115 -6.487 9.575 3.148 515 HD11 ILE 115 HD11 ILE 115 -3.411 11.009 4.188 516 HD12 ILE 115 HD12 ILE 115 -2.013 9.938 4.346 517 HD13 ILE 115 HD13 ILE 115 -3.075 10.212 5.725 518 H ASP 116 H ASP 116 -4.197 8.232 -0.015 519 HA ASP 116 HA ASP 116 -6.604 9.157 -1.070 520 HB2 ASP 116 HB2 ASP 116 -4.025 8.253 -2.258 521 HB3 ASP 116 HB3 ASP 116 -5.404 8.462 -3.333 522 H ASN 117 H ASN 117 -5.511 5.896 -0.659 523 HA ASN 117 HA ASN 117 -7.173 4.715 -2.648 524 HB2 ASN 117 HB2 ASN 117 -5.191 3.573 -1.710 525 HB3 ASN 117 HB3 ASN 117 -6.010 3.453 -0.155 526 HD21 ASN 117 HD21 ASN 117 -7.623 1.948 0.126 527 HD22 ASN 117 HD22 ASN 117 -7.951 0.699 -1.021 528 H THR 118 H THR 118 -7.630 5.495 0.763 529 HA THR 118 HA THR 118 -10.344 4.395 0.629 530 HB THR 118 HB THR 118 -10.261 5.082 3.163 531 HG1 THR 118 HG1 THR 118 -7.626 4.429 3.250 532 HG21 THR 118 HG21 THR 118 -8.704 2.733 2.071 533 HG22 THR 118 HG22 THR 118 -10.448 2.791 2.318 534 HG23 THR 118 HG23 THR 118 -9.360 2.870 3.703 535 H LYS 119 H LYS 119 -8.588 7.369 0.843 536 HA LYS 119 HA LYS 119 -10.696 9.087 1.606 537 HB2 LYS 119 HB2 LYS 119 -8.454 9.890 1.818 538 HB3 LYS 119 HB3 LYS 119 -8.109 9.541 0.128 539 HG2 LYS 119 HG2 LYS 119 -9.433 11.328 -0.623 540 HG3 LYS 119 HG3 LYS 119 -10.143 11.574 0.979 541 HD2 LYS 119 HD2 LYS 119 -8.503 13.278 0.665 542 HD3 LYS 119 HD3 LYS 119 -7.846 12.110 1.815 543 HE2 LYS 119 HE2 LYS 119 -6.096 12.650 0.302 544 HE3 LYS 119 HE3 LYS 119 -6.657 11.033 -0.120 545 HZ1 LYS 119 HZ1 LYS 119 -8.097 12.190 -1.825 546 HZ2 LYS 119 HZ2 LYS 119 -6.434 12.164 -2.137 547 HZ3 LYS 119 HZ3 LYS 119 -7.169 13.578 -1.544 548 H GLY 120 H GLY 120 -9.173 9.259 -1.590 549 HA2 GLY 120 HA2 GLY 120 -11.456 8.345 -3.018 550 HA3 GLY 120 HA3 GLY 120 -11.388 10.103 -3.013 551 H GLN 121 H GLN 121 -10.945 7.884 -5.110 552 HA GLN 121 HA GLN 121 -8.185 8.252 -5.880 553 HB2 GLN 121 HB2 GLN 121 -10.505 6.833 -7.183 554 HB3 GLN 121 HB3 GLN 121 -8.935 6.973 -7.956 555 HG2 GLN 121 HG2 GLN 121 -8.961 4.857 -6.970 556 HG3 GLN 121 HG3 GLN 121 -7.973 5.850 -5.903 557 HE21 GLN 121 HE21 GLN 121 -8.700 6.292 -3.829 558 HE22 GLN 121 HE22 GLN 121 -10.052 5.471 -3.132 559 H MET 122 H MET 122 -9.084 10.689 -5.718 560 HA MET 122 HA MET 122 -8.595 11.933 -8.127 561 HB2 MET 122 HB2 MET 122 -10.780 12.792 -8.815 562 HB3 MET 122 HB3 MET 122 -10.764 11.037 -8.872 563 HG2 MET 122 HG2 MET 122 -12.008 10.924 -6.796 564 HG3 MET 122 HG3 MET 122 -11.971 12.679 -6.659 565 HE1 MET 122 HE1 MET 122 -14.335 10.339 -9.859 566 HE2 MET 122 HE2 MET 122 -13.456 9.585 -8.527 567 HE3 MET 122 HE3 MET 122 -12.572 10.390 -9.825 568 H LEU 123 H LEU 123 -10.675 12.132 -5.310 569 HA LEU 123 HA LEU 123 -9.132 14.218 -4.092 570 HB2 LEU 123 HB2 LEU 123 -11.952 14.730 -5.056 571 HB3 LEU 123 HB3 LEU 123 -11.253 15.620 -3.719 572 HG LEU 123 HG LEU 123 -10.128 15.592 -6.520 573 HD11 LEU 123 HD11 LEU 123 -11.813 17.662 -5.111 574 HD12 LEU 123 HD12 LEU 123 -12.304 16.674 -6.488 575 HD13 LEU 123 HD13 LEU 123 -11.025 17.874 -6.676 576 HD21 LEU 123 HD21 LEU 123 -8.776 17.460 -5.743 577 HD22 LEU 123 HD22 LEU 123 -8.478 16.025 -4.760 578 HD23 LEU 123 HD23 LEU 123 -9.491 17.326 -4.135 579 H GLY 124 H GLY 124 -12.490 13.142 -3.947 580 HA2 GLY 124 HA2 GLY 124 -12.047 11.222 -1.881 581 HA3 GLY 124 HA3 GLY 124 -12.788 12.699 -1.263 582 H LEU 125 H LEU 125 -13.922 9.920 -1.589 583 HA LEU 125 HA LEU 125 -16.139 10.690 -3.368 584 HB2 LEU 125 HB2 LEU 125 -16.605 8.405 -3.832 585 HB3 LEU 125 HB3 LEU 125 -14.917 8.690 -4.163 586 HG LEU 125 HG LEU 125 -15.770 7.491 -1.546 587 HD11 LEU 125 HD11 LEU 125 -15.280 6.007 -4.132 588 HD12 LEU 125 HD12 LEU 125 -16.830 6.140 -3.301 589 HD13 LEU 125 HD13 LEU 125 -15.493 5.274 -2.540 590 HD21 LEU 125 HD21 LEU 125 -13.571 6.829 -1.399 591 HD22 LEU 125 HD22 LEU 125 -13.441 8.375 -2.245 592 HD23 LEU 125 HD23 LEU 125 -13.339 6.866 -3.149 593 H GLY 126 H GLY 126 -18.251 9.789 -2.785 594 HA2 GLY 126 HA2 GLY 126 -19.080 8.736 -0.429 595 HA3 GLY 126 HA3 GLY 126 -18.776 10.423 -0.025 596 H ASN 127 H ASN 127 -21.262 9.308 0.202 597 HA ASN 127 HA ASN 127 -23.341 10.316 -0.107 598 HB2 ASN 127 HB2 ASN 127 -22.319 11.010 -2.835 599 HB3 ASN 127 HB3 ASN 127 -24.051 10.941 -2.534 600 HD21 ASN 127 HD21 ASN 127 -21.723 11.945 -0.113 601 HD22 ASN 127 HD22 ASN 127 -22.207 13.610 -0.074 602 HA PRO 128 HA PRO 128 -24.618 6.637 -2.991 603 HB2 PRO 128 HB2 PRO 128 -21.985 5.479 -3.694 604 HB3 PRO 128 HB3 PRO 128 -23.429 5.676 -4.694 605 HG2 PRO 128 HG2 PRO 128 -21.284 7.216 -5.068 606 HG3 PRO 128 HG3 PRO 128 -22.925 7.874 -5.224 607 HD2 PRO 128 HD2 PRO 128 -20.994 8.115 -2.944 608 HD3 PRO 128 HD3 PRO 128 -22.050 9.351 -3.661 Start of MODEL 5 1 H1 ALA 49 H1 ALA 49 -16.293 -7.929 -15.385 2 H2 ALA 49 H2 ALA 49 -17.792 -8.471 -15.967 3 H3 ALA 49 H3 ALA 49 -16.418 -9.456 -16.115 4 HA ALA 49 HA ALA 49 -17.881 -10.190 -14.327 5 HB1 ALA 49 HB1 ALA 49 -16.172 -10.379 -12.609 6 HB2 ALA 49 HB2 ALA 49 -15.241 -9.087 -13.367 7 HB3 ALA 49 HB3 ALA 49 -15.467 -10.621 -14.208 8 H ASN 50 H ASN 50 -19.358 -9.589 -12.906 9 HA ASN 50 HA ASN 50 -19.392 -6.789 -12.028 10 HB2 ASN 50 HB2 ASN 50 -21.406 -7.684 -13.158 11 HB3 ASN 50 HB3 ASN 50 -21.560 -8.899 -11.895 12 HD21 ASN 50 HD21 ASN 50 -23.587 -8.185 -11.305 13 HD22 ASN 50 HD22 ASN 50 -23.840 -6.691 -10.462 14 H GLN 51 H GLN 51 -19.135 -10.053 -10.903 15 HA GLN 51 HA GLN 51 -18.308 -9.138 -8.290 16 HB2 GLN 51 HB2 GLN 51 -19.834 -10.572 -7.047 17 HB3 GLN 51 HB3 GLN 51 -20.737 -9.404 -7.996 18 HG2 GLN 51 HG2 GLN 51 -20.246 -12.176 -9.011 19 HG3 GLN 51 HG3 GLN 51 -21.567 -11.831 -7.900 20 HE21 GLN 51 HE21 GLN 51 -23.282 -10.544 -8.601 21 HE22 GLN 51 HE22 GLN 51 -23.582 -10.261 -10.282 22 H GLN 52 H GLN 52 -18.180 -11.509 -6.980 23 HA GLN 52 HA GLN 52 -16.954 -13.388 -6.709 24 HB2 GLN 52 HB2 GLN 52 -18.450 -14.228 -8.550 25 HB3 GLN 52 HB3 GLN 52 -17.192 -13.788 -9.695 26 HG2 GLN 52 HG2 GLN 52 -15.651 -15.337 -8.563 27 HG3 GLN 52 HG3 GLN 52 -16.954 -15.807 -7.473 28 HE21 GLN 52 HE21 GLN 52 -15.412 -17.405 -9.368 29 HE22 GLN 52 HE22 GLN 52 -16.564 -18.110 -10.455 30 H THR 53 H THR 53 -15.623 -11.002 -6.900 31 HA THR 53 HA THR 53 -13.067 -11.933 -8.002 32 HB THR 53 HB THR 53 -13.778 -9.915 -9.186 33 HG1 THR 53 HG1 THR 53 -11.500 -10.276 -8.495 34 HG21 THR 53 HG21 THR 53 -15.170 -9.053 -7.300 35 HG22 THR 53 HG22 THR 53 -14.175 -7.836 -8.102 36 HG23 THR 53 HG23 THR 53 -13.685 -8.491 -6.536 37 H SER 54 H SER 54 -11.283 -11.789 -6.688 38 HA SER 54 HA SER 54 -11.842 -12.402 -4.006 39 HB2 SER 54 HB2 SER 54 -9.303 -12.399 -3.818 40 HB3 SER 54 HB3 SER 54 -10.005 -13.476 -5.028 41 HG SER 54 HG SER 54 -8.372 -12.415 -6.044 42 H GLY 55 H GLY 55 -10.605 -9.488 -5.531 43 HA2 GLY 55 HA2 GLY 55 -10.535 -7.328 -4.746 44 HA3 GLY 55 HA3 GLY 55 -11.427 -7.868 -3.333 45 H LYS 56 H LYS 56 -8.724 -9.756 -3.740 46 HA LYS 56 HA LYS 56 -7.221 -8.170 -1.780 47 HB2 LYS 56 HB2 LYS 56 -7.505 -11.150 -2.154 48 HB3 LYS 56 HB3 LYS 56 -6.241 -10.438 -1.172 49 HG2 LYS 56 HG2 LYS 56 -9.077 -9.704 -0.638 50 HG3 LYS 56 HG3 LYS 56 -8.452 -11.258 -0.076 51 HD2 LYS 56 HD2 LYS 56 -6.713 -10.131 1.176 52 HD3 LYS 56 HD3 LYS 56 -7.235 -8.568 0.536 53 HE2 LYS 56 HE2 LYS 56 -9.373 -8.796 1.635 54 HE3 LYS 56 HE3 LYS 56 -8.938 -10.402 2.213 55 HZ1 LYS 56 HZ1 LYS 56 -7.543 -7.888 2.974 56 HZ2 LYS 56 HZ2 LYS 56 -7.207 -9.437 3.571 57 HZ3 LYS 56 HZ3 LYS 56 -8.690 -8.688 3.927 58 H VAL 57 H VAL 57 -5.064 -7.867 -2.087 59 HA VAL 57 HA VAL 57 -4.065 -8.353 -4.797 60 HB VAL 57 HB VAL 57 -2.715 -6.795 -2.595 61 HG11 VAL 57 HG11 VAL 57 -2.367 -6.926 -5.573 62 HG12 VAL 57 HG12 VAL 57 -1.182 -7.248 -4.301 63 HG13 VAL 57 HG13 VAL 57 -1.729 -5.600 -4.601 64 HG21 VAL 57 HG21 VAL 57 -3.829 -4.869 -3.092 65 HG22 VAL 57 HG22 VAL 57 -5.121 -6.054 -3.305 66 HG23 VAL 57 HG23 VAL 57 -4.277 -5.408 -4.714 67 H LEU 58 H LEU 58 -2.571 -9.865 -5.219 68 HA LEU 58 HA LEU 58 -1.305 -11.235 -2.975 69 HB2 LEU 58 HB2 LEU 58 -2.355 -12.578 -4.752 70 HB3 LEU 58 HB3 LEU 58 -1.245 -11.893 -5.927 71 HG LEU 58 HG LEU 58 0.616 -12.876 -4.437 72 HD11 LEU 58 HD11 LEU 58 -1.489 -14.807 -3.581 73 HD12 LEU 58 HD12 LEU 58 -1.224 -13.337 -2.647 74 HD13 LEU 58 HD13 LEU 58 0.100 -14.488 -2.878 75 HD21 LEU 58 HD21 LEU 58 0.082 -13.736 -6.641 76 HD22 LEU 58 HD22 LEU 58 -1.254 -14.675 -5.975 77 HD23 LEU 58 HD23 LEU 58 0.408 -15.066 -5.529 78 H TYR 59 H TYR 59 0.500 -10.358 -2.261 79 HA TYR 59 HA TYR 59 2.410 -9.276 -4.227 80 HB2 TYR 59 HB2 TYR 59 2.957 -7.525 -2.826 81 HB3 TYR 59 HB3 TYR 59 1.264 -7.730 -2.405 82 HD1 TYR 59 HD1 TYR 59 0.764 -9.239 -0.329 83 HD2 TYR 59 HD2 TYR 59 4.570 -7.536 -1.164 84 HE1 TYR 59 HE1 TYR 59 1.428 -9.575 2.017 85 HE2 TYR 59 HE2 TYR 59 5.241 -7.862 1.180 86 HH TYR 59 HH TYR 59 3.598 -9.848 3.292 87 H GLU 60 H GLU 60 4.085 -10.560 -4.482 88 HA GLU 60 HA GLU 60 5.852 -11.912 -4.065 89 HB2 GLU 60 HB2 GLU 60 5.562 -10.944 -1.232 90 HB3 GLU 60 HB3 GLU 60 6.994 -11.688 -1.929 91 HG2 GLU 60 HG2 GLU 60 5.783 -9.121 -2.895 92 HG3 GLU 60 HG3 GLU 60 7.100 -9.220 -1.730 93 H GLY 61 H GLY 61 2.985 -12.766 -3.404 94 HA2 GLY 61 HA2 GLY 61 2.442 -15.120 -3.333 95 HA3 GLY 61 HA3 GLY 61 3.774 -15.346 -2.216 96 H LYS 62 H LYS 62 2.384 -12.602 -1.133 97 HA LYS 62 HA LYS 62 0.481 -14.079 0.583 98 HB2 LYS 62 HB2 LYS 62 2.491 -12.949 1.698 99 HB3 LYS 62 HB3 LYS 62 1.737 -11.431 1.251 100 HG2 LYS 62 HG2 LYS 62 -0.275 -12.092 2.527 101 HG3 LYS 62 HG3 LYS 62 0.587 -13.532 3.068 102 HD2 LYS 62 HD2 LYS 62 1.467 -10.685 3.557 103 HD3 LYS 62 HD3 LYS 62 0.646 -11.713 4.731 104 HE2 LYS 62 HE2 LYS 62 3.300 -12.346 3.451 105 HE3 LYS 62 HE3 LYS 62 3.106 -11.617 5.043 106 HZ1 LYS 62 HZ1 LYS 62 2.026 -14.270 4.258 107 HZ2 LYS 62 HZ2 LYS 62 1.972 -13.580 5.802 108 HZ3 LYS 62 HZ3 LYS 62 3.463 -14.031 5.124 109 H GLU 63 H GLU 63 -1.506 -13.077 1.067 110 HA GLU 63 HA GLU 63 -2.313 -11.097 -0.945 111 HB2 GLU 63 HB2 GLU 63 -3.907 -13.095 0.641 112 HB3 GLU 63 HB3 GLU 63 -4.654 -11.822 -0.311 113 HG2 GLU 63 HG2 GLU 63 -3.556 -12.714 -2.316 114 HG3 GLU 63 HG3 GLU 63 -2.878 -14.017 -1.338 115 H PHE 64 H PHE 64 -3.121 -9.188 -0.429 116 HA PHE 64 HA PHE 64 -3.932 -8.651 2.335 117 HB2 PHE 64 HB2 PHE 64 -1.655 -7.471 0.999 118 HB3 PHE 64 HB3 PHE 64 -2.830 -6.242 1.432 119 HD1 PHE 64 HD1 PHE 64 -3.493 -5.951 3.791 120 HD2 PHE 64 HD2 PHE 64 -0.365 -8.588 2.637 121 HE1 PHE 64 HE1 PHE 64 -2.683 -5.994 6.115 122 HE2 PHE 64 HE2 PHE 64 0.455 -8.645 4.959 123 HZ PHE 64 HZ PHE 64 -0.706 -7.345 6.700 124 H ASP 65 H ASP 65 -5.033 -6.421 2.398 125 HA ASP 65 HA ASP 65 -7.290 -6.520 0.748 126 HB2 ASP 65 HB2 ASP 65 -6.208 -4.239 2.410 127 HB3 ASP 65 HB3 ASP 65 -7.790 -4.231 1.640 128 H TYR 66 H TYR 66 -5.046 -3.758 0.824 129 HA TYR 66 HA TYR 66 -4.956 -3.826 -2.106 130 HB2 TYR 66 HB2 TYR 66 -5.687 -1.441 -0.402 131 HB3 TYR 66 HB3 TYR 66 -5.136 -1.287 -2.066 132 HD1 TYR 66 HD1 TYR 66 -6.543 -2.038 -3.915 133 HD2 TYR 66 HD2 TYR 66 -7.898 -2.288 0.109 134 HE1 TYR 66 HE1 TYR 66 -8.841 -2.375 -4.716 135 HE2 TYR 66 HE2 TYR 66 -10.202 -2.627 -0.682 136 HH TYR 66 HH TYR 66 -11.554 -2.170 -2.671 137 H VAL 67 H VAL 67 -2.818 -4.290 -2.374 138 HA VAL 67 HA VAL 67 -0.890 -2.744 -0.815 139 HB VAL 67 HB VAL 67 0.656 -4.334 -1.111 140 HG11 VAL 67 HG11 VAL 67 -1.339 -5.499 -0.273 141 HG12 VAL 67 HG12 VAL 67 -0.227 -6.558 -1.131 142 HG13 VAL 67 HG13 VAL 67 -1.705 -6.011 -1.924 143 HG21 VAL 67 HG21 VAL 67 -0.329 -5.319 -3.761 144 HG22 VAL 67 HG22 VAL 67 1.296 -5.411 -3.064 145 HG23 VAL 67 HG23 VAL 67 0.663 -3.865 -3.636 146 H PHE 68 H PHE 68 0.488 -1.298 -1.720 147 HA PHE 68 HA PHE 68 -0.293 -0.278 -4.332 148 HB2 PHE 68 HB2 PHE 68 -0.083 1.311 -2.485 149 HB3 PHE 68 HB3 PHE 68 1.579 0.814 -2.220 150 HD1 PHE 68 HD1 PHE 68 -0.347 1.783 -5.279 151 HD2 PHE 68 HD2 PHE 68 3.018 2.464 -2.778 152 HE1 PHE 68 HE1 PHE 68 0.451 3.513 -6.840 153 HE2 PHE 68 HE2 PHE 68 3.826 4.203 -4.330 154 HZ PHE 68 HZ PHE 68 2.540 4.726 -6.366 155 H SER 69 H SER 69 1.120 -0.043 -6.060 156 HA SER 69 HA SER 69 3.475 -1.786 -5.937 157 HB2 SER 69 HB2 SER 69 1.897 -2.423 -7.663 158 HB3 SER 69 HB3 SER 69 1.860 -0.785 -8.296 159 HG SER 69 HG SER 69 3.735 -1.085 -9.256 160 H ILE 70 H ILE 70 5.341 -0.830 -5.686 161 HA ILE 70 HA ILE 70 5.629 1.982 -6.505 162 HB ILE 70 HB ILE 70 7.264 0.501 -4.446 163 HG12 ILE 70 HG12 ILE 70 4.733 2.106 -4.144 164 HG13 ILE 70 HG13 ILE 70 5.083 0.484 -3.545 165 HG21 ILE 70 HG21 ILE 70 8.496 2.339 -5.117 166 HG22 ILE 70 HG22 ILE 70 7.635 2.942 -3.699 167 HG23 ILE 70 HG23 ILE 70 7.067 3.356 -5.317 168 HD11 ILE 70 HD11 ILE 70 6.422 1.305 -1.809 169 HD12 ILE 70 HD12 ILE 70 5.004 2.346 -1.850 170 HD13 ILE 70 HD13 ILE 70 6.529 2.903 -2.537 171 H ASP 71 H ASP 71 6.803 2.201 -8.299 172 HA ASP 71 HA ASP 71 9.039 0.332 -8.699 173 HB2 ASP 71 HB2 ASP 71 7.462 1.961 -10.697 174 HB3 ASP 71 HB3 ASP 71 8.969 1.143 -11.098 175 H VAL 72 H VAL 72 10.844 1.150 -7.992 176 HA VAL 72 HA VAL 72 11.454 3.961 -8.615 177 HB VAL 72 HB VAL 72 11.396 3.491 -6.182 178 HG11 VAL 72 HG11 VAL 72 13.387 2.126 -5.305 179 HG12 VAL 72 HG12 VAL 72 13.431 1.432 -6.929 180 HG13 VAL 72 HG13 VAL 72 11.984 1.264 -5.936 181 HG21 VAL 72 HG21 VAL 72 13.545 4.484 -5.617 182 HG22 VAL 72 HG22 VAL 72 12.868 5.246 -7.057 183 HG23 VAL 72 HG23 VAL 72 14.172 4.070 -7.213 184 H ASN 73 H ASN 73 12.456 0.632 -8.703 185 HA ASN 73 HA ASN 73 14.587 1.351 -10.589 186 HB2 ASN 73 HB2 ASN 73 14.003 -1.363 -9.372 187 HB3 ASN 73 HB3 ASN 73 15.407 -0.928 -10.340 188 HD21 ASN 73 HD21 ASN 73 14.034 -1.017 -7.220 189 HD22 ASN 73 HD22 ASN 73 15.356 -0.302 -6.368 190 H GLU 74 H GLU 74 13.772 1.517 -12.584 191 HA GLU 74 HA GLU 74 11.321 0.224 -13.313 192 HB2 GLU 74 HB2 GLU 74 11.944 2.475 -14.119 193 HB3 GLU 74 HB3 GLU 74 13.264 1.766 -15.040 194 HG2 GLU 74 HG2 GLU 74 11.648 0.490 -16.359 195 HG3 GLU 74 HG3 GLU 74 10.332 1.218 -15.439 196 H GLY 75 H GLY 75 11.163 -1.811 -13.904 197 HA2 GLY 75 HA2 GLY 75 11.573 -3.643 -15.326 198 HA3 GLY 75 HA3 GLY 75 13.122 -2.931 -15.766 199 H GLY 76 H GLY 76 12.060 -3.239 -12.468 200 HA2 GLY 76 HA2 GLY 76 13.768 -5.591 -12.077 201 HA3 GLY 76 HA3 GLY 76 14.127 -4.137 -11.151 202 HA PRO 77 HA PRO 77 11.092 -6.740 -8.735 203 HB2 PRO 77 HB2 PRO 77 12.333 -6.199 -6.328 204 HB3 PRO 77 HB3 PRO 77 12.639 -7.634 -7.310 205 HG2 PRO 77 HG2 PRO 77 14.222 -5.121 -7.079 206 HG3 PRO 77 HG3 PRO 77 14.783 -6.792 -7.275 207 HD2 PRO 77 HD2 PRO 77 14.744 -5.010 -9.316 208 HD3 PRO 77 HD3 PRO 77 14.495 -6.749 -9.560 209 H SER 78 H SER 78 9.301 -5.799 -7.993 210 HA SER 78 HA SER 78 9.345 -2.904 -7.650 211 HB2 SER 78 HB2 SER 78 7.755 -4.008 -9.265 212 HB3 SER 78 HB3 SER 78 6.944 -4.732 -7.881 213 HG SER 78 HG SER 78 6.999 -2.076 -8.744 214 H TYR 79 H TYR 79 8.371 -1.892 -5.898 215 HA TYR 79 HA TYR 79 8.424 -3.434 -3.420 216 HB2 TYR 79 HB2 TYR 79 8.366 -0.468 -4.012 217 HB3 TYR 79 HB3 TYR 79 8.275 -1.115 -2.385 218 HD1 TYR 79 HD1 TYR 79 10.239 -3.175 -2.259 219 HD2 TYR 79 HD2 TYR 79 10.417 0.504 -4.372 220 HE1 TYR 79 HE1 TYR 79 12.696 -3.246 -2.158 221 HE2 TYR 79 HE2 TYR 79 12.872 0.446 -4.282 222 HH TYR 79 HH TYR 79 14.646 -0.533 -3.031 223 H LYS 80 H LYS 80 6.523 -4.118 -2.551 224 HA LYS 80 HA LYS 80 4.114 -2.736 -3.507 225 HB2 LYS 80 HB2 LYS 80 4.189 -5.549 -2.405 226 HB3 LYS 80 HB3 LYS 80 2.870 -4.767 -3.262 227 HG2 LYS 80 HG2 LYS 80 5.497 -5.673 -4.391 228 HG3 LYS 80 HG3 LYS 80 3.902 -6.320 -4.736 229 HD2 LYS 80 HD2 LYS 80 4.073 -3.473 -5.266 230 HD3 LYS 80 HD3 LYS 80 5.246 -4.398 -6.203 231 HE2 LYS 80 HE2 LYS 80 2.262 -4.827 -6.104 232 HE3 LYS 80 HE3 LYS 80 3.192 -4.169 -7.446 233 HZ1 LYS 80 HZ1 LYS 80 3.460 -6.931 -6.378 234 HZ2 LYS 80 HZ2 LYS 80 4.324 -6.286 -7.684 235 HZ3 LYS 80 HZ3 LYS 80 2.646 -6.499 -7.801 236 H LEU 81 H LEU 81 2.751 -1.873 -2.084 237 HA LEU 81 HA LEU 81 3.524 -2.019 0.758 238 HB2 LEU 81 HB2 LEU 81 3.417 0.166 -0.745 239 HB3 LEU 81 HB3 LEU 81 1.727 0.095 -0.326 240 HG LEU 81 HG LEU 81 4.040 0.882 1.297 241 HD11 LEU 81 HD11 LEU 81 2.441 2.365 2.270 242 HD12 LEU 81 HD12 LEU 81 1.114 1.465 1.545 243 HD13 LEU 81 HD13 LEU 81 2.225 2.369 0.518 244 HD21 LEU 81 HD21 LEU 81 2.976 0.216 3.421 245 HD22 LEU 81 HD22 LEU 81 3.498 -1.175 2.469 246 HD23 LEU 81 HD23 LEU 81 1.793 -0.726 2.512 247 HA PRO 82 HA PRO 82 -0.509 -4.265 0.699 248 HB2 PRO 82 HB2 PRO 82 0.688 -5.270 3.196 249 HB3 PRO 82 HB3 PRO 82 -0.041 -6.165 1.859 250 HG2 PRO 82 HG2 PRO 82 2.582 -6.186 2.209 251 HG3 PRO 82 HG3 PRO 82 1.895 -6.073 0.576 252 HD2 PRO 82 HD2 PRO 82 3.021 -3.894 2.295 253 HD3 PRO 82 HD3 PRO 82 3.287 -4.211 0.573 254 H TYR 83 H TYR 83 -2.120 -3.011 1.357 255 HA TYR 83 HA TYR 83 -1.999 -1.910 4.076 256 HB2 TYR 83 HB2 TYR 83 -1.882 -0.082 2.549 257 HB3 TYR 83 HB3 TYR 83 -3.173 -0.744 1.551 258 HD1 TYR 83 HD1 TYR 83 -2.759 0.068 5.171 259 HD2 TYR 83 HD2 TYR 83 -5.121 0.483 1.664 260 HE1 TYR 83 HE1 TYR 83 -4.393 1.384 6.443 261 HE2 TYR 83 HE2 TYR 83 -6.773 1.799 2.928 262 HH TYR 83 HH TYR 83 -6.154 2.885 6.177 263 H ASN 84 H ASN 84 -3.409 -2.762 5.406 264 HA ASN 84 HA ASN 84 -5.963 -3.830 4.416 265 HB2 ASN 84 HB2 ASN 84 -4.817 -5.280 5.996 266 HB3 ASN 84 HB3 ASN 84 -4.618 -3.951 7.130 267 HD21 ASN 84 HD21 ASN 84 -6.893 -6.185 5.706 268 HD22 ASN 84 HD22 ASN 84 -8.120 -5.989 6.919 269 H THR 85 H THR 85 -7.933 -2.863 5.069 270 HA THR 85 HA THR 85 -7.608 -0.044 5.033 271 HB THR 85 HB THR 85 -10.086 0.050 4.895 272 HG1 THR 85 HG1 THR 85 -9.883 -2.458 5.908 273 HG21 THR 85 HG21 THR 85 -8.399 -0.462 3.006 274 HG22 THR 85 HG22 THR 85 -10.122 -0.685 2.696 275 HG23 THR 85 HG23 THR 85 -9.097 -2.082 3.043 276 H SER 86 H SER 86 -7.728 -2.083 7.659 277 HA SER 86 HA SER 86 -9.093 -0.182 9.396 278 HB2 SER 86 HB2 SER 86 -9.341 -2.721 9.581 279 HB3 SER 86 HB3 SER 86 -7.717 -2.722 10.265 280 HG SER 86 HG SER 86 -9.232 -2.621 11.929 281 H ASP 87 H ASP 87 -6.042 -0.521 8.150 282 HA ASP 87 HA ASP 87 -4.624 0.207 10.610 283 HB2 ASP 87 HB2 ASP 87 -3.933 -1.605 8.800 284 HB3 ASP 87 HB3 ASP 87 -3.218 -0.204 8.007 285 H ASP 88 H ASP 88 -3.077 2.000 10.571 286 HA ASP 88 HA ASP 88 -4.241 4.297 9.213 287 HB2 ASP 88 HB2 ASP 88 -2.043 4.149 11.287 288 HB3 ASP 88 HB3 ASP 88 -2.704 5.636 10.626 289 HA PRO 89 HA PRO 89 -1.459 4.586 5.853 290 HB2 PRO 89 HB2 PRO 89 -0.853 7.305 5.989 291 HB3 PRO 89 HB3 PRO 89 -2.216 6.602 5.124 292 HG2 PRO 89 HG2 PRO 89 -2.126 7.842 7.832 293 HG3 PRO 89 HG3 PRO 89 -3.402 7.916 6.603 294 HD2 PRO 89 HD2 PRO 89 -3.652 6.371 8.742 295 HD3 PRO 89 HD3 PRO 89 -4.223 5.812 7.165 296 H TRP 90 H TRP 90 -0.327 6.853 8.330 297 HA TRP 90 HA TRP 90 2.360 6.631 7.611 298 HB2 TRP 90 HB2 TRP 90 2.816 7.751 9.794 299 HB3 TRP 90 HB3 TRP 90 1.614 8.566 8.807 300 HD1 TRP 90 HD1 TRP 90 -1.059 7.948 9.577 301 HE1 TRP 90 HE1 TRP 90 -2.002 7.799 11.974 302 HE3 TRP 90 HE3 TRP 90 3.326 7.291 12.116 303 HZ2 TRP 90 HZ2 TRP 90 -0.996 7.469 14.594 304 HZ3 TRP 90 HZ3 TRP 90 3.250 7.080 14.564 305 HH2 TRP 90 HH2 TRP 90 1.135 7.168 15.775 306 H LEU 91 H LEU 91 0.396 4.633 9.668 307 HA LEU 91 HA LEU 91 2.639 3.317 10.906 308 HB2 LEU 91 HB2 LEU 91 -0.273 2.540 10.761 309 HB3 LEU 91 HB3 LEU 91 0.934 1.704 11.719 310 HG LEU 91 HG LEU 91 0.016 4.550 12.111 311 HD11 LEU 91 HD11 LEU 91 -1.621 2.939 12.872 312 HD12 LEU 91 HD12 LEU 91 -0.825 3.689 14.255 313 HD13 LEU 91 HD13 LEU 91 -0.377 2.057 13.758 314 HD21 LEU 91 HD21 LEU 91 1.486 4.583 14.027 315 HD22 LEU 91 HD22 LEU 91 2.400 4.234 12.558 316 HD23 LEU 91 HD23 LEU 91 2.012 2.934 13.684 317 H THR 92 H THR 92 0.178 2.317 8.532 318 HA THR 92 HA THR 92 1.193 -0.162 7.825 319 HB THR 92 HB THR 92 -0.152 1.835 5.995 320 HG1 THR 92 HG1 THR 92 -1.086 0.593 8.178 321 HG21 THR 92 HG21 THR 92 0.709 0.077 4.673 322 HG22 THR 92 HG22 THR 92 -1.008 -0.260 4.885 323 HG23 THR 92 HG23 THR 92 0.189 -1.148 5.828 324 H ALA 93 H ALA 93 1.957 3.032 6.549 325 HA ALA 93 HA ALA 93 3.670 2.130 4.481 326 HB1 ALA 93 HB1 ALA 93 2.561 4.245 4.304 327 HB2 ALA 93 HB2 ALA 93 4.300 4.532 4.375 328 HB3 ALA 93 HB3 ALA 93 3.303 4.809 5.801 329 H TYR 94 H TYR 94 4.165 3.310 7.771 330 HA TYR 94 HA TYR 94 6.980 3.489 7.682 331 HB2 TYR 94 HB2 TYR 94 5.282 4.408 9.418 332 HB3 TYR 94 HB3 TYR 94 5.397 2.812 10.153 333 HD1 TYR 94 HD1 TYR 94 7.733 1.988 10.819 334 HD2 TYR 94 HD2 TYR 94 6.848 6.050 9.946 335 HE1 TYR 94 HE1 TYR 94 9.744 2.683 12.063 336 HE2 TYR 94 HE2 TYR 94 8.854 6.761 11.177 337 HH TYR 94 HH TYR 94 10.316 5.904 12.970 338 H ASN 95 H ASN 95 4.725 0.947 8.648 339 HA ASN 95 HA ASN 95 6.540 -0.959 9.569 340 HB2 ASN 95 HB2 ASN 95 4.089 -1.132 9.843 341 HB3 ASN 95 HB3 ASN 95 3.927 -1.445 8.119 342 HD21 ASN 95 HD21 ASN 95 6.469 -2.701 10.205 343 HD22 ASN 95 HD22 ASN 95 6.008 -4.367 10.064 344 H PHE 96 H PHE 96 5.172 -0.573 6.294 345 HA PHE 96 HA PHE 96 6.708 -2.601 5.081 346 HB2 PHE 96 HB2 PHE 96 4.806 -1.814 3.902 347 HB3 PHE 96 HB3 PHE 96 5.364 -0.146 3.951 348 HD1 PHE 96 HD1 PHE 96 6.544 -3.475 2.732 349 HD2 PHE 96 HD2 PHE 96 6.260 0.716 2.012 350 HE1 PHE 96 HE1 PHE 96 7.617 -3.779 0.542 351 HE2 PHE 96 HE2 PHE 96 7.333 0.412 -0.179 352 HZ PHE 96 HZ PHE 96 8.012 -1.835 -0.916 353 H LEU 97 H LEU 97 7.291 0.842 5.513 354 HA LEU 97 HA LEU 97 9.522 1.092 3.871 355 HB2 LEU 97 HB2 LEU 97 8.067 2.722 5.535 356 HB3 LEU 97 HB3 LEU 97 9.647 2.707 6.297 357 HG LEU 97 HG LEU 97 10.645 3.404 4.134 358 HD11 LEU 97 HD11 LEU 97 7.786 3.784 3.260 359 HD12 LEU 97 HD12 LEU 97 8.818 2.453 2.742 360 HD13 LEU 97 HD13 LEU 97 9.246 4.113 2.322 361 HD21 LEU 97 HD21 LEU 97 9.764 4.969 5.987 362 HD22 LEU 97 HD22 LEU 97 8.471 5.334 4.839 363 HD23 LEU 97 HD23 LEU 97 10.150 5.652 4.408 364 H GLN 98 H GLN 98 9.423 0.447 7.382 365 HA GLN 98 HA GLN 98 12.254 0.122 7.538 366 HB2 GLN 98 HB2 GLN 98 11.866 -0.627 9.826 367 HB3 GLN 98 HB3 GLN 98 10.960 0.840 9.478 368 HG2 GLN 98 HG2 GLN 98 8.952 -0.523 9.115 369 HG3 GLN 98 HG3 GLN 98 9.868 -1.961 9.548 370 HE21 GLN 98 HE21 GLN 98 11.386 -0.467 11.592 371 HE22 GLN 98 HE22 GLN 98 10.304 -0.296 12.932 372 H LYS 99 H LYS 99 9.612 -1.960 6.787 373 HA LYS 99 HA LYS 99 10.850 -4.448 7.403 374 HB2 LYS 99 HB2 LYS 99 8.437 -4.246 7.223 375 HB3 LYS 99 HB3 LYS 99 8.569 -3.727 5.555 376 HG2 LYS 99 HG2 LYS 99 9.542 -6.431 6.400 377 HG3 LYS 99 HG3 LYS 99 7.840 -6.139 6.050 378 HD2 LYS 99 HD2 LYS 99 8.480 -5.312 3.812 379 HD3 LYS 99 HD3 LYS 99 10.159 -5.702 4.174 380 HE2 LYS 99 HE2 LYS 99 9.420 -8.068 4.562 381 HE3 LYS 99 HE3 LYS 99 7.844 -7.603 3.925 382 HZ1 LYS 99 HZ1 LYS 99 9.032 -6.878 1.873 383 HZ2 LYS 99 HZ2 LYS 99 9.086 -8.546 2.160 384 HZ3 LYS 99 HZ3 LYS 99 10.443 -7.583 2.495 385 H ASN 100 H ASN 100 10.564 -2.509 4.449 386 HA ASN 100 HA ASN 100 12.160 -4.523 3.035 387 HB2 ASN 100 HB2 ASN 100 9.905 -3.100 2.259 388 HB3 ASN 100 HB3 ASN 100 11.220 -2.289 1.407 389 HD21 ASN 100 HD21 ASN 100 12.502 -3.511 -0.040 390 HD22 ASN 100 HD22 ASN 100 11.894 -4.969 -0.749 391 H ASP 101 H ASP 101 12.784 -2.088 4.910 392 HA ASP 101 HA ASP 101 14.504 -0.662 5.266 393 HB2 ASP 101 HB2 ASP 101 15.749 -2.502 3.246 394 HB3 ASP 101 HB3 ASP 101 16.642 -1.140 3.911 395 H LEU 102 H LEU 102 12.629 0.571 3.893 396 HA LEU 102 HA LEU 102 13.916 1.864 1.595 397 HB2 LEU 102 HB2 LEU 102 11.113 2.220 2.657 398 HB3 LEU 102 HB3 LEU 102 11.748 2.957 1.210 399 HG LEU 102 HG LEU 102 10.722 1.275 0.151 400 HD11 LEU 102 HD11 LEU 102 11.982 -0.744 -0.159 401 HD12 LEU 102 HD12 LEU 102 12.895 -0.419 1.314 402 HD13 LEU 102 HD13 LEU 102 13.083 0.637 -0.087 403 HD21 LEU 102 HD21 LEU 102 9.296 0.483 1.711 404 HD22 LEU 102 HD22 LEU 102 10.578 0.144 2.862 405 HD23 LEU 102 HD23 LEU 102 10.310 -0.948 1.502 406 H ASN 103 H ASN 103 13.761 4.215 1.480 407 HA ASN 103 HA ASN 103 14.762 5.466 3.838 408 HB2 ASN 103 HB2 ASN 103 15.255 5.977 1.336 409 HB3 ASN 103 HB3 ASN 103 13.765 6.893 1.398 410 HD21 ASN 103 HD21 ASN 103 16.625 7.639 1.008 411 HD22 ASN 103 HD22 ASN 103 16.905 8.910 2.152 412 HA PRO 104 HA PRO 104 10.918 6.606 5.797 413 HB2 PRO 104 HB2 PRO 104 12.622 8.859 6.749 414 HB3 PRO 104 HB3 PRO 104 11.603 7.749 7.674 415 HG2 PRO 104 HG2 PRO 104 14.235 7.439 7.688 416 HG3 PRO 104 HG3 PRO 104 13.171 6.022 7.570 417 HD2 PRO 104 HD2 PRO 104 14.732 7.402 5.417 418 HD3 PRO 104 HD3 PRO 104 14.484 5.667 5.677 419 H MET 105 H MET 105 12.750 8.549 3.652 420 HA MET 105 HA MET 105 11.107 10.807 3.366 421 HB2 MET 105 HB2 MET 105 13.370 10.595 2.426 422 HB3 MET 105 HB3 MET 105 12.785 9.377 1.307 423 HG2 MET 105 HG2 MET 105 11.267 11.080 0.336 424 HG3 MET 105 HG3 MET 105 12.034 12.286 1.371 425 HE1 MET 105 HE1 MET 105 15.051 11.278 1.376 426 HE2 MET 105 HE2 MET 105 14.619 12.975 1.172 427 HE3 MET 105 HE3 MET 105 15.738 12.208 0.042 428 H PHE 106 H PHE 106 10.655 7.519 2.448 429 HA PHE 106 HA PHE 106 8.803 8.095 0.292 430 HB2 PHE 106 HB2 PHE 106 9.749 5.540 1.572 431 HB3 PHE 106 HB3 PHE 106 8.503 5.570 0.333 432 HD1 PHE 106 HD1 PHE 106 9.202 6.939 -1.838 433 HD2 PHE 106 HD2 PHE 106 11.913 5.141 0.921 434 HE1 PHE 106 HE1 PHE 106 10.933 6.884 -3.583 435 HE2 PHE 106 HE2 PHE 106 13.644 5.089 -0.827 436 HZ PHE 106 HZ PHE 106 13.157 5.959 -3.078 437 H LEU 107 H LEU 107 8.695 7.785 3.641 438 HA LEU 107 HA LEU 107 6.449 6.248 4.154 439 HB2 LEU 107 HB2 LEU 107 7.950 6.847 5.893 440 HB3 LEU 107 HB3 LEU 107 7.671 8.558 5.652 441 HG LEU 107 HG LEU 107 5.428 8.344 6.582 442 HD11 LEU 107 HD11 LEU 107 6.095 5.453 7.070 443 HD12 LEU 107 HD12 LEU 107 5.086 6.017 5.743 444 HD13 LEU 107 HD13 LEU 107 4.572 6.280 7.408 445 HD21 LEU 107 HD21 LEU 107 7.421 8.653 8.057 446 HD22 LEU 107 HD22 LEU 107 7.404 6.905 8.336 447 HD23 LEU 107 HD23 LEU 107 6.034 7.899 8.845 448 H ASP 108 H ASP 108 6.614 9.711 3.426 449 HA ASP 108 HA ASP 108 3.885 10.207 3.986 450 HB2 ASP 108 HB2 ASP 108 5.555 12.014 3.859 451 HB3 ASP 108 HB3 ASP 108 5.768 11.703 2.139 452 H GLN 109 H GLN 109 5.613 9.537 0.950 453 HA GLN 109 HA GLN 109 3.477 9.814 -0.806 454 HB2 GLN 109 HB2 GLN 109 5.573 9.702 -1.813 455 HB3 GLN 109 HB3 GLN 109 6.058 8.289 -0.886 456 HG2 GLN 109 HG2 GLN 109 4.582 6.893 -2.168 457 HG3 GLN 109 HG3 GLN 109 3.981 8.292 -3.065 458 HE21 GLN 109 HE21 GLN 109 6.595 6.069 -2.631 459 HE22 GLN 109 HE22 GLN 109 7.489 6.523 -4.036 460 H VAL 110 H VAL 110 4.692 6.862 0.774 461 HA VAL 110 HA VAL 110 2.787 5.140 -0.392 462 HB VAL 110 HB VAL 110 3.413 3.675 1.692 463 HG11 VAL 110 HG11 VAL 110 5.209 2.799 0.509 464 HG12 VAL 110 HG12 VAL 110 5.712 4.388 -0.043 465 HG13 VAL 110 HG13 VAL 110 4.293 3.627 -0.748 466 HG21 VAL 110 HG21 VAL 110 5.356 4.236 2.861 467 HG22 VAL 110 HG22 VAL 110 4.377 5.700 2.872 468 HG23 VAL 110 HG23 VAL 110 5.732 5.559 1.761 469 H ALA 111 H ALA 111 2.853 6.856 2.694 470 HA ALA 111 HA ALA 111 0.506 5.719 3.778 471 HB1 ALA 111 HB1 ALA 111 1.651 8.435 4.376 472 HB2 ALA 111 HB2 ALA 111 2.220 6.925 5.084 473 HB3 ALA 111 HB3 ALA 111 0.578 7.481 5.399 474 H LYS 112 H LYS 112 1.031 8.631 1.829 475 HA LYS 112 HA LYS 112 -1.641 9.545 2.044 476 HB2 LYS 112 HB2 LYS 112 0.539 10.176 0.053 477 HB3 LYS 112 HB3 LYS 112 -1.008 11.017 0.118 478 HG2 LYS 112 HG2 LYS 112 0.851 10.834 2.468 479 HG3 LYS 112 HG3 LYS 112 0.907 12.147 1.296 480 HD2 LYS 112 HD2 LYS 112 -1.597 11.398 2.768 481 HD3 LYS 112 HD3 LYS 112 -0.415 12.526 3.437 482 HE2 LYS 112 HE2 LYS 112 -1.855 12.819 0.804 483 HE3 LYS 112 HE3 LYS 112 -2.211 13.695 2.289 484 HZ1 LYS 112 HZ1 LYS 112 0.329 13.839 0.756 485 HZ2 LYS 112 HZ2 LYS 112 0.019 14.650 2.209 486 HZ3 LYS 112 HZ3 LYS 112 -0.866 15.043 0.818 487 H PHE 113 H PHE 113 -0.030 7.324 -0.176 488 HA PHE 113 HA PHE 113 -2.257 7.137 -1.960 489 HB2 PHE 113 HB2 PHE 113 0.157 6.330 -2.403 490 HB3 PHE 113 HB3 PHE 113 -0.307 4.894 -1.492 491 HD1 PHE 113 HD1 PHE 113 -2.197 3.498 -2.292 492 HD2 PHE 113 HD2 PHE 113 -0.563 6.634 -4.645 493 HE1 PHE 113 HE1 PHE 113 -3.271 2.545 -4.291 494 HE2 PHE 113 HE2 PHE 113 -1.633 5.692 -6.653 495 HZ PHE 113 HZ PHE 113 -2.994 3.647 -6.475 496 H ILE 114 H ILE 114 -1.181 5.312 0.876 497 HA ILE 114 HA ILE 114 -3.174 3.444 1.155 498 HB ILE 114 HB ILE 114 -1.710 5.116 3.161 499 HG12 ILE 114 HG12 ILE 114 -1.580 2.141 2.923 500 HG13 ILE 114 HG13 ILE 114 -0.760 3.130 1.717 501 HG21 ILE 114 HG21 ILE 114 -4.143 4.195 3.767 502 HG22 ILE 114 HG22 ILE 114 -2.830 4.291 4.928 503 HG23 ILE 114 HG23 ILE 114 -3.186 2.759 4.138 504 HD11 ILE 114 HD11 ILE 114 0.580 2.336 3.736 505 HD12 ILE 114 HD12 ILE 114 -0.317 3.558 4.637 506 HD13 ILE 114 HD13 ILE 114 0.691 4.034 3.281 507 H ILE 115 H ILE 115 -3.188 6.792 2.328 508 HA ILE 115 HA ILE 115 -5.802 6.826 3.286 509 HB ILE 115 HB ILE 115 -4.042 9.047 2.286 510 HG12 ILE 115 HG12 ILE 115 -4.972 8.445 5.091 511 HG13 ILE 115 HG13 ILE 115 -3.539 7.698 4.403 512 HG21 ILE 115 HG21 ILE 115 -6.139 9.984 1.941 513 HG22 ILE 115 HG22 ILE 115 -5.787 10.475 3.594 514 HG23 ILE 115 HG23 ILE 115 -6.862 9.119 3.288 515 HD11 ILE 115 HD11 ILE 115 -3.766 10.657 4.315 516 HD12 ILE 115 HD12 ILE 115 -2.341 9.618 4.452 517 HD13 ILE 115 HD13 ILE 115 -3.387 9.873 5.848 518 H ASP 116 H ASP 116 -4.521 7.796 0.108 519 HA ASP 116 HA ASP 116 -6.903 8.791 -0.939 520 HB2 ASP 116 HB2 ASP 116 -4.612 9.003 -1.975 521 HB3 ASP 116 HB3 ASP 116 -4.785 7.348 -2.549 522 H ASN 117 H ASN 117 -5.690 5.491 -0.790 523 HA ASN 117 HA ASN 117 -7.637 4.280 -2.410 524 HB2 ASN 117 HB2 ASN 117 -5.583 3.141 -1.724 525 HB3 ASN 117 HB3 ASN 117 -6.135 3.121 -0.053 526 HD21 ASN 117 HD21 ASN 117 -7.729 1.656 0.561 527 HD22 ASN 117 HD22 ASN 117 -8.217 0.345 -0.452 528 H THR 118 H THR 118 -7.721 5.224 0.982 529 HA THR 118 HA THR 118 -10.271 3.842 1.327 530 HB THR 118 HB THR 118 -9.944 4.792 3.744 531 HG1 THR 118 HG1 THR 118 -7.210 4.563 3.187 532 HG21 THR 118 HG21 THR 118 -8.273 2.561 2.586 533 HG22 THR 118 HG22 THR 118 -9.917 2.435 3.212 534 HG23 THR 118 HG23 THR 118 -8.584 2.804 4.306 535 H LYS 119 H LYS 119 -8.933 7.105 1.308 536 HA LYS 119 HA LYS 119 -11.356 8.401 2.088 537 HB2 LYS 119 HB2 LYS 119 -10.266 10.437 1.627 538 HB3 LYS 119 HB3 LYS 119 -8.993 9.374 2.224 539 HG2 LYS 119 HG2 LYS 119 -7.892 9.397 0.276 540 HG3 LYS 119 HG3 LYS 119 -9.374 9.355 -0.690 541 HD2 LYS 119 HD2 LYS 119 -9.760 11.714 -0.138 542 HD3 LYS 119 HD3 LYS 119 -8.237 11.748 0.753 543 HE2 LYS 119 HE2 LYS 119 -7.832 12.685 -1.403 544 HE3 LYS 119 HE3 LYS 119 -7.067 11.099 -1.350 545 HZ1 LYS 119 HZ1 LYS 119 -9.628 11.797 -2.683 546 HZ2 LYS 119 HZ2 LYS 119 -9.042 10.216 -2.527 547 HZ3 LYS 119 HZ3 LYS 119 -8.175 11.352 -3.428 548 H GLY 120 H GLY 120 -10.004 7.254 -0.876 549 HA2 GLY 120 HA2 GLY 120 -11.908 6.650 -2.464 550 HA3 GLY 120 HA3 GLY 120 -12.255 8.374 -2.408 551 H GLN 121 H GLN 121 -10.903 6.128 -4.291 552 HA GLN 121 HA GLN 121 -8.308 6.955 -4.832 553 HB2 GLN 121 HB2 GLN 121 -9.395 4.839 -5.596 554 HB3 GLN 121 HB3 GLN 121 -10.259 5.774 -6.810 555 HG2 GLN 121 HG2 GLN 121 -8.205 6.384 -7.880 556 HG3 GLN 121 HG3 GLN 121 -7.272 5.624 -6.594 557 HE21 GLN 121 HE21 GLN 121 -10.179 4.193 -7.848 558 HE22 GLN 121 HE22 GLN 121 -9.420 2.874 -8.670 559 H MET 122 H MET 122 -7.604 8.823 -5.481 560 HA MET 122 HA MET 122 -7.366 10.815 -6.533 561 HB2 MET 122 HB2 MET 122 -7.764 9.790 -8.650 562 HB3 MET 122 HB3 MET 122 -9.494 9.692 -8.350 563 HG2 MET 122 HG2 MET 122 -9.631 12.142 -8.429 564 HG3 MET 122 HG3 MET 122 -7.902 12.217 -8.760 565 HE1 MET 122 HE1 MET 122 -7.448 9.780 -10.687 566 HE2 MET 122 HE2 MET 122 -6.784 11.381 -11.020 567 HE3 MET 122 HE3 MET 122 -7.672 10.517 -12.275 568 H LEU 123 H LEU 123 -10.865 10.164 -6.629 569 HA LEU 123 HA LEU 123 -11.331 12.830 -5.504 570 HB2 LEU 123 HB2 LEU 123 -12.525 12.274 -7.560 571 HB3 LEU 123 HB3 LEU 123 -13.220 10.861 -6.797 572 HG LEU 123 HG LEU 123 -14.466 12.310 -5.242 573 HD11 LEU 123 HD11 LEU 123 -13.294 14.565 -6.862 574 HD12 LEU 123 HD12 LEU 123 -12.944 14.200 -5.172 575 HD13 LEU 123 HD13 LEU 123 -14.561 14.722 -5.646 576 HD21 LEU 123 HD21 LEU 123 -15.500 11.577 -7.333 577 HD22 LEU 123 HD22 LEU 123 -14.865 13.004 -8.151 578 HD23 LEU 123 HD23 LEU 123 -16.063 13.184 -6.868 579 H GLY 124 H GLY 124 -13.391 9.996 -5.213 580 HA2 GLY 124 HA2 GLY 124 -14.327 8.979 -3.384 581 HA3 GLY 124 HA3 GLY 124 -12.897 9.460 -2.482 582 H LEU 125 H LEU 125 -13.887 10.116 -0.634 583 HA LEU 125 HA LEU 125 -15.028 11.440 0.815 584 HB2 LEU 125 HB2 LEU 125 -14.863 13.442 -1.441 585 HB3 LEU 125 HB3 LEU 125 -15.292 13.817 0.215 586 HG LEU 125 HG LEU 125 -12.617 12.784 -0.726 587 HD11 LEU 125 HD11 LEU 125 -13.400 15.477 0.381 588 HD12 LEU 125 HD12 LEU 125 -13.106 15.126 -1.321 589 HD13 LEU 125 HD13 LEU 125 -11.794 14.980 -0.151 590 HD21 LEU 125 HD21 LEU 125 -13.161 11.953 1.501 591 HD22 LEU 125 HD22 LEU 125 -13.533 13.591 2.034 592 HD23 LEU 125 HD23 LEU 125 -11.885 13.166 1.574 593 H GLY 126 H GLY 126 -16.971 13.506 0.174 594 HA2 GLY 126 HA2 GLY 126 -19.228 13.705 -0.199 595 HA3 GLY 126 HA3 GLY 126 -19.075 12.411 -1.379 596 H ASN 127 H ASN 127 -18.439 12.435 2.107 597 HA ASN 127 HA ASN 127 -20.457 10.301 2.387 598 HB2 ASN 127 HB2 ASN 127 -17.810 10.575 3.827 599 HB3 ASN 127 HB3 ASN 127 -19.049 9.405 4.255 600 HD21 ASN 127 HD21 ASN 127 -19.711 9.026 1.360 601 HD22 ASN 127 HD22 ASN 127 -18.442 8.015 0.749 602 HA PRO 128 HA PRO 128 -21.725 13.603 5.285 603 HB2 PRO 128 HB2 PRO 128 -24.436 13.117 4.496 604 HB3 PRO 128 HB3 PRO 128 -23.445 14.534 4.147 605 HG2 PRO 128 HG2 PRO 128 -24.326 12.722 2.256 606 HG3 PRO 128 HG3 PRO 128 -22.934 13.801 2.055 607 HD2 PRO 128 HD2 PRO 128 -23.004 10.905 2.787 608 HD3 PRO 128 HD3 PRO 128 -21.852 11.784 1.759 Start of MODEL 6 1 H1 ALA 49 H1 ALA 49 -6.763 -18.144 -15.170 2 H2 ALA 49 H2 ALA 49 -7.151 -19.655 -14.506 3 H3 ALA 49 H3 ALA 49 -6.592 -18.405 -13.503 4 HA ALA 49 HA ALA 49 -9.120 -18.350 -15.038 5 HB1 ALA 49 HB1 ALA 49 -9.211 -20.009 -13.241 6 HB2 ALA 49 HB2 ALA 49 -10.249 -18.629 -12.891 7 HB3 ALA 49 HB3 ALA 49 -8.692 -18.784 -12.082 8 H ASN 50 H ASN 50 -8.240 -17.010 -11.888 9 HA ASN 50 HA ASN 50 -9.196 -14.420 -12.681 10 HB2 ASN 50 HB2 ASN 50 -7.875 -15.375 -10.135 11 HB3 ASN 50 HB3 ASN 50 -8.484 -13.740 -10.373 12 HD21 ASN 50 HD21 ASN 50 -10.706 -13.392 -10.442 13 HD22 ASN 50 HD22 ASN 50 -11.842 -14.583 -9.904 14 H GLN 51 H GLN 51 -7.958 -13.407 -14.134 15 HA GLN 51 HA GLN 51 -5.065 -13.325 -13.783 16 HB2 GLN 51 HB2 GLN 51 -6.834 -12.177 -15.951 17 HB3 GLN 51 HB3 GLN 51 -5.076 -12.128 -15.951 18 HG2 GLN 51 HG2 GLN 51 -6.739 -14.635 -15.963 19 HG3 GLN 51 HG3 GLN 51 -5.993 -13.901 -17.382 20 HE21 GLN 51 HE21 GLN 51 -5.412 -15.603 -14.390 21 HE22 GLN 51 HE22 GLN 51 -3.783 -16.076 -14.745 22 H GLN 52 H GLN 52 -7.899 -11.308 -13.523 23 HA GLN 52 HA GLN 52 -6.205 -9.227 -12.309 24 HB2 GLN 52 HB2 GLN 52 -7.220 -8.545 -14.508 25 HB3 GLN 52 HB3 GLN 52 -8.806 -8.745 -13.776 26 HG2 GLN 52 HG2 GLN 52 -8.210 -6.424 -13.769 27 HG3 GLN 52 HG3 GLN 52 -8.225 -7.028 -12.112 28 HE21 GLN 52 HE21 GLN 52 -6.295 -7.213 -10.992 29 HE22 GLN 52 HE22 GLN 52 -4.828 -6.482 -11.537 30 H THR 53 H THR 53 -6.473 -9.921 -10.213 31 HA THR 53 HA THR 53 -9.182 -10.335 -9.202 32 HB THR 53 HB THR 53 -6.537 -10.607 -7.755 33 HG1 THR 53 HG1 THR 53 -6.539 -12.235 -9.223 34 HG21 THR 53 HG21 THR 53 -9.316 -11.541 -7.026 35 HG22 THR 53 HG22 THR 53 -8.409 -10.252 -6.233 36 HG23 THR 53 HG23 THR 53 -7.843 -11.921 -6.136 37 H SER 54 H SER 54 -10.029 -8.253 -9.207 38 HA SER 54 HA SER 54 -8.625 -6.111 -7.855 39 HB2 SER 54 HB2 SER 54 -9.934 -5.660 -9.900 40 HB3 SER 54 HB3 SER 54 -11.402 -6.182 -9.073 41 HG SER 54 HG SER 54 -11.195 -4.437 -7.671 42 H GLY 55 H GLY 55 -8.747 -7.830 -5.979 43 HA2 GLY 55 HA2 GLY 55 -10.793 -6.784 -4.157 44 HA3 GLY 55 HA3 GLY 55 -10.622 -8.530 -4.308 45 H LYS 56 H LYS 56 -9.155 -9.526 -3.059 46 HA LYS 56 HA LYS 56 -7.294 -7.920 -1.529 47 HB2 LYS 56 HB2 LYS 56 -8.264 -10.744 -1.409 48 HB3 LYS 56 HB3 LYS 56 -6.707 -10.353 -0.688 49 HG2 LYS 56 HG2 LYS 56 -8.611 -10.296 0.906 50 HG3 LYS 56 HG3 LYS 56 -7.687 -8.804 0.796 51 HD2 LYS 56 HD2 LYS 56 -9.396 -7.848 -0.673 52 HD3 LYS 56 HD3 LYS 56 -10.336 -9.334 -0.524 53 HE2 LYS 56 HE2 LYS 56 -10.783 -8.959 1.743 54 HE3 LYS 56 HE3 LYS 56 -9.492 -7.768 1.890 55 HZ1 LYS 56 HZ1 LYS 56 -11.798 -7.288 0.110 56 HZ2 LYS 56 HZ2 LYS 56 -10.734 -6.165 0.811 57 HZ3 LYS 56 HZ3 LYS 56 -11.892 -6.947 1.766 58 H VAL 57 H VAL 57 -5.143 -7.916 -1.774 59 HA VAL 57 HA VAL 57 -4.188 -8.827 -4.379 60 HB VAL 57 HB VAL 57 -2.714 -7.092 -2.410 61 HG11 VAL 57 HG11 VAL 57 -2.464 -7.612 -5.354 62 HG12 VAL 57 HG12 VAL 57 -1.246 -7.803 -4.085 63 HG13 VAL 57 HG13 VAL 57 -1.754 -6.191 -4.587 64 HG21 VAL 57 HG21 VAL 57 -3.789 -5.200 -3.051 65 HG22 VAL 57 HG22 VAL 57 -5.123 -6.345 -3.201 66 HG23 VAL 57 HG23 VAL 57 -4.226 -5.845 -4.635 67 H LEU 58 H LEU 58 -2.804 -10.453 -4.615 68 HA LEU 58 HA LEU 58 -1.619 -11.681 -2.252 69 HB2 LEU 58 HB2 LEU 58 -2.778 -13.104 -3.898 70 HB3 LEU 58 HB3 LEU 58 -1.640 -12.598 -5.134 71 HG LEU 58 HG LEU 58 0.160 -13.579 -3.555 72 HD11 LEU 58 HD11 LEU 58 -2.088 -15.279 -2.581 73 HD12 LEU 58 HD12 LEU 58 -1.694 -13.775 -1.753 74 HD13 LEU 58 HD13 LEU 58 -0.476 -15.048 -1.897 75 HD21 LEU 58 HD21 LEU 58 -1.800 -15.407 -4.941 76 HD22 LEU 58 HD22 LEU 58 -0.135 -15.799 -4.514 77 HD23 LEU 58 HD23 LEU 58 -0.465 -14.551 -5.715 78 H TYR 59 H TYR 59 0.312 -10.939 -1.641 79 HA TYR 59 HA TYR 59 2.229 -10.231 -3.762 80 HB2 TYR 59 HB2 TYR 59 3.057 -8.429 -2.544 81 HB3 TYR 59 HB3 TYR 59 1.333 -8.341 -2.207 82 HD1 TYR 59 HD1 TYR 59 0.540 -9.453 0.014 83 HD2 TYR 59 HD2 TYR 59 4.580 -8.443 -0.823 84 HE1 TYR 59 HE1 TYR 59 1.053 -9.535 2.415 85 HE2 TYR 59 HE2 TYR 59 5.109 -8.514 1.578 86 HH TYR 59 HH TYR 59 4.143 -8.493 3.682 87 H GLU 60 H GLU 60 3.634 -11.784 -3.973 88 HA GLU 60 HA GLU 60 5.133 -13.426 -3.570 89 HB2 GLU 60 HB2 GLU 60 5.570 -11.880 -1.030 90 HB3 GLU 60 HB3 GLU 60 6.679 -13.065 -1.711 91 HG2 GLU 60 HG2 GLU 60 5.797 -10.544 -3.071 92 HG3 GLU 60 HG3 GLU 60 7.313 -10.747 -2.200 93 H GLY 61 H GLY 61 2.377 -13.693 -2.459 94 HA2 GLY 61 HA2 GLY 61 1.731 -16.021 -1.974 95 HA3 GLY 61 HA3 GLY 61 3.012 -16.038 -0.777 96 H LYS 62 H LYS 62 2.131 -13.193 0.006 97 HA LYS 62 HA LYS 62 0.063 -14.136 1.857 98 HB2 LYS 62 HB2 LYS 62 2.201 -12.898 2.616 99 HB3 LYS 62 HB3 LYS 62 1.417 -11.461 1.984 100 HG2 LYS 62 HG2 LYS 62 -0.500 -11.903 3.494 101 HG3 LYS 62 HG3 LYS 62 0.421 -13.231 4.201 102 HD2 LYS 62 HD2 LYS 62 1.269 -10.334 4.151 103 HD3 LYS 62 HD3 LYS 62 0.571 -11.174 5.535 104 HE2 LYS 62 HE2 LYS 62 2.471 -12.701 5.581 105 HE3 LYS 62 HE3 LYS 62 3.160 -11.900 4.168 106 HZ1 LYS 62 HZ1 LYS 62 3.360 -9.867 5.447 107 HZ2 LYS 62 HZ2 LYS 62 4.172 -11.131 6.235 108 HZ3 LYS 62 HZ3 LYS 62 2.660 -10.612 6.800 109 H GLU 63 H GLU 63 -1.857 -12.955 2.194 110 HA GLU 63 HA GLU 63 -2.643 -11.346 -0.139 111 HB2 GLU 63 HB2 GLU 63 -4.207 -13.232 1.595 112 HB3 GLU 63 HB3 GLU 63 -5.013 -12.014 0.615 113 HG2 GLU 63 HG2 GLU 63 -3.906 -12.961 -1.381 114 HG3 GLU 63 HG3 GLU 63 -3.230 -14.233 -0.361 115 H PHE 64 H PHE 64 -3.152 -9.332 0.135 116 HA PHE 64 HA PHE 64 -3.990 -8.399 2.800 117 HB2 PHE 64 HB2 PHE 64 -1.788 -7.470 1.115 118 HB3 PHE 64 HB3 PHE 64 -2.872 -6.174 1.582 119 HD1 PHE 64 HD1 PHE 64 -3.229 -5.669 3.981 120 HD2 PHE 64 HD2 PHE 64 -0.350 -8.511 2.678 121 HE1 PHE 64 HE1 PHE 64 -2.144 -5.575 6.188 122 HE2 PHE 64 HE2 PHE 64 0.740 -8.432 4.882 123 HZ PHE 64 HZ PHE 64 -0.157 -6.959 6.642 124 H ASP 65 H ASP 65 -5.071 -6.167 2.575 125 HA ASP 65 HA ASP 65 -7.362 -6.401 0.960 126 HB2 ASP 65 HB2 ASP 65 -6.268 -4.400 2.791 127 HB3 ASP 65 HB3 ASP 65 -7.130 -3.678 1.443 128 H TYR 66 H TYR 66 -4.972 -3.801 0.755 129 HA TYR 66 HA TYR 66 -4.964 -4.025 -2.163 130 HB2 TYR 66 HB2 TYR 66 -5.613 -1.512 -0.609 131 HB3 TYR 66 HB3 TYR 66 -5.243 -1.541 -2.328 132 HD1 TYR 66 HD1 TYR 66 -6.800 -2.744 -3.890 133 HD2 TYR 66 HD2 TYR 66 -7.768 -2.062 0.197 134 HE1 TYR 66 HE1 TYR 66 -9.166 -3.194 -4.382 135 HE2 TYR 66 HE2 TYR 66 -10.138 -2.507 -0.285 136 HH TYR 66 HH TYR 66 -11.178 -3.890 -3.237 137 H VAL 67 H VAL 67 -2.818 -4.577 -2.306 138 HA VAL 67 HA VAL 67 -0.870 -2.986 -0.849 139 HB VAL 67 HB VAL 67 0.699 -4.565 -1.266 140 HG11 VAL 67 HG11 VAL 67 -1.269 -5.637 -0.220 141 HG12 VAL 67 HG12 VAL 67 -0.221 -6.762 -1.073 142 HG13 VAL 67 HG13 VAL 67 -1.736 -6.242 -1.809 143 HG21 VAL 67 HG21 VAL 67 -0.488 -5.752 -3.722 144 HG22 VAL 67 HG22 VAL 67 1.203 -5.626 -3.226 145 HG23 VAL 67 HG23 VAL 67 0.354 -4.207 -3.839 146 H PHE 68 H PHE 68 0.442 -1.487 -1.735 147 HA PHE 68 HA PHE 68 -0.425 -0.394 -4.290 148 HB2 PHE 68 HB2 PHE 68 -0.196 1.080 -2.307 149 HB3 PHE 68 HB3 PHE 68 1.514 0.699 -2.236 150 HD1 PHE 68 HD1 PHE 68 -0.591 1.483 -5.198 151 HD2 PHE 68 HD2 PHE 68 2.589 2.687 -2.650 152 HE1 PHE 68 HE1 PHE 68 -0.087 3.354 -6.720 153 HE2 PHE 68 HE2 PHE 68 3.101 4.563 -4.161 154 HZ PHE 68 HZ PHE 68 1.761 4.895 -6.200 155 H SER 69 H SER 69 1.061 0.118 -5.982 156 HA SER 69 HA SER 69 3.381 -1.665 -5.996 157 HB2 SER 69 HB2 SER 69 2.119 -0.292 -8.361 158 HB3 SER 69 HB3 SER 69 3.203 -1.676 -8.379 159 HG SER 69 HG SER 69 0.482 -1.532 -7.939 160 H ILE 70 H ILE 70 5.260 -0.808 -5.659 161 HA ILE 70 HA ILE 70 5.614 2.078 -5.838 162 HB ILE 70 HB ILE 70 7.360 -0.047 -4.627 163 HG12 ILE 70 HG12 ILE 70 5.287 0.243 -3.411 164 HG13 ILE 70 HG13 ILE 70 6.614 0.961 -2.516 165 HG21 ILE 70 HG21 ILE 70 8.686 1.728 -3.694 166 HG22 ILE 70 HG22 ILE 70 7.619 2.945 -4.390 167 HG23 ILE 70 HG23 ILE 70 8.617 1.942 -5.445 168 HD11 ILE 70 HD11 ILE 70 5.961 3.176 -3.432 169 HD12 ILE 70 HD12 ILE 70 4.777 2.446 -2.347 170 HD13 ILE 70 HD13 ILE 70 4.522 2.401 -4.095 171 H ASP 71 H ASP 71 6.486 2.901 -7.630 172 HA ASP 71 HA ASP 71 8.300 1.246 -9.227 173 HB2 ASP 71 HB2 ASP 71 7.971 2.847 -11.017 174 HB3 ASP 71 HB3 ASP 71 6.399 2.359 -10.397 175 H VAL 72 H VAL 72 10.411 1.685 -9.348 176 HA VAL 72 HA VAL 72 11.459 4.239 -8.530 177 HB VAL 72 HB VAL 72 11.207 3.194 -6.355 178 HG11 VAL 72 HG11 VAL 72 12.511 1.145 -5.790 179 HG12 VAL 72 HG12 VAL 72 12.822 0.942 -7.517 180 HG13 VAL 72 HG13 VAL 72 11.169 0.872 -6.904 181 HG21 VAL 72 HG21 VAL 72 13.533 3.311 -5.574 182 HG22 VAL 72 HG22 VAL 72 13.131 4.631 -6.674 183 HG23 VAL 72 HG23 VAL 72 14.084 3.262 -7.248 184 H ASN 73 H ASN 73 12.353 0.844 -9.190 185 HA ASN 73 HA ASN 73 14.330 1.892 -11.100 186 HB2 ASN 73 HB2 ASN 73 15.324 0.582 -9.244 187 HB3 ASN 73 HB3 ASN 73 14.344 -0.802 -9.721 188 HD21 ASN 73 HD21 ASN 73 15.874 1.449 -11.944 189 HD22 ASN 73 HD22 ASN 73 16.988 0.306 -12.616 190 H GLU 74 H GLU 74 13.379 1.880 -13.046 191 HA GLU 74 HA GLU 74 11.503 -0.217 -13.752 192 HB2 GLU 74 HB2 GLU 74 11.566 2.363 -14.435 193 HB3 GLU 74 HB3 GLU 74 12.526 1.731 -15.763 194 HG2 GLU 74 HG2 GLU 74 9.853 0.568 -15.087 195 HG3 GLU 74 HG3 GLU 74 9.999 2.009 -16.087 196 H GLY 75 H GLY 75 12.053 -2.046 -14.745 197 HA2 GLY 75 HA2 GLY 75 13.408 -3.490 -16.034 198 HA3 GLY 75 HA3 GLY 75 14.661 -2.248 -16.059 199 H GLY 76 H GLY 76 13.140 -2.792 -13.085 200 HA2 GLY 76 HA2 GLY 76 15.110 -4.738 -12.159 201 HA3 GLY 76 HA3 GLY 76 15.104 -3.155 -11.385 202 HA PRO 77 HA PRO 77 12.093 -5.968 -9.205 203 HB2 PRO 77 HB2 PRO 77 12.905 -5.367 -6.677 204 HB3 PRO 77 HB3 PRO 77 13.635 -6.650 -7.650 205 HG2 PRO 77 HG2 PRO 77 14.602 -3.867 -7.144 206 HG3 PRO 77 HG3 PRO 77 15.521 -5.382 -7.206 207 HD2 PRO 77 HD2 PRO 77 15.441 -3.615 -9.270 208 HD3 PRO 77 HD3 PRO 77 15.636 -5.364 -9.502 209 H SER 78 H SER 78 10.117 -5.251 -8.767 210 HA SER 78 HA SER 78 9.723 -2.438 -8.084 211 HB2 SER 78 HB2 SER 78 7.280 -3.029 -8.531 212 HB3 SER 78 HB3 SER 78 8.362 -3.127 -9.920 213 HG SER 78 HG SER 78 8.337 -5.318 -9.797 214 H TYR 79 H TYR 79 8.336 -1.845 -6.322 215 HA TYR 79 HA TYR 79 8.466 -3.813 -4.135 216 HB2 TYR 79 HB2 TYR 79 8.401 -0.782 -4.063 217 HB3 TYR 79 HB3 TYR 79 8.336 -1.809 -2.634 218 HD1 TYR 79 HD1 TYR 79 10.358 -3.843 -3.177 219 HD2 TYR 79 HD2 TYR 79 10.416 0.324 -4.030 220 HE1 TYR 79 HE1 TYR 79 12.818 -3.874 -3.120 221 HE2 TYR 79 HE2 TYR 79 12.874 0.308 -3.973 222 HH TYR 79 HH TYR 79 14.709 -2.571 -3.978 223 H LYS 80 H LYS 80 6.618 -4.160 -2.841 224 HA LYS 80 HA LYS 80 4.181 -2.819 -3.796 225 HB2 LYS 80 HB2 LYS 80 4.321 -5.657 -2.755 226 HB3 LYS 80 HB3 LYS 80 2.881 -4.829 -3.319 227 HG2 LYS 80 HG2 LYS 80 5.232 -5.763 -4.934 228 HG3 LYS 80 HG3 LYS 80 3.555 -6.285 -5.051 229 HD2 LYS 80 HD2 LYS 80 3.892 -3.419 -5.436 230 HD3 LYS 80 HD3 LYS 80 4.777 -4.377 -6.621 231 HE2 LYS 80 HE2 LYS 80 1.821 -4.384 -6.049 232 HE3 LYS 80 HE3 LYS 80 2.645 -3.930 -7.534 233 HZ1 LYS 80 HZ1 LYS 80 2.462 -6.671 -6.402 234 HZ2 LYS 80 HZ2 LYS 80 3.398 -6.248 -7.753 235 HZ3 LYS 80 HZ3 LYS 80 1.709 -6.100 -7.810 236 H LEU 81 H LEU 81 2.757 -2.100 -2.292 237 HA LEU 81 HA LEU 81 3.709 -2.142 0.508 238 HB2 LEU 81 HB2 LEU 81 3.536 0.018 -1.002 239 HB3 LEU 81 HB3 LEU 81 1.849 -0.068 -0.574 240 HG LEU 81 HG LEU 81 4.169 0.761 1.032 241 HD11 LEU 81 HD11 LEU 81 2.571 2.275 1.961 242 HD12 LEU 81 HD12 LEU 81 1.243 1.378 1.237 243 HD13 LEU 81 HD13 LEU 81 2.377 2.247 0.208 244 HD21 LEU 81 HD21 LEU 81 3.089 0.159 3.162 245 HD22 LEU 81 HD22 LEU 81 3.625 -1.250 2.251 246 HD23 LEU 81 HD23 LEU 81 1.915 -0.815 2.273 247 HA PRO 82 HA PRO 82 -0.304 -4.450 0.567 248 HB2 PRO 82 HB2 PRO 82 1.023 -5.360 3.060 249 HB3 PRO 82 HB3 PRO 82 0.172 -6.298 1.828 250 HG2 PRO 82 HG2 PRO 82 2.802 -6.379 1.943 251 HG3 PRO 82 HG3 PRO 82 1.988 -6.269 0.367 252 HD2 PRO 82 HD2 PRO 82 3.318 -4.103 1.950 253 HD3 PRO 82 HD3 PRO 82 3.416 -4.435 0.215 254 H TYR 83 H TYR 83 -1.807 -3.003 1.099 255 HA TYR 83 HA TYR 83 -1.761 -1.846 3.796 256 HB2 TYR 83 HB2 TYR 83 -1.821 -0.096 2.170 257 HB3 TYR 83 HB3 TYR 83 -3.059 -0.920 1.225 258 HD1 TYR 83 HD1 TYR 83 -2.765 0.071 4.830 259 HD2 TYR 83 HD2 TYR 83 -5.033 0.253 1.238 260 HE1 TYR 83 HE1 TYR 83 -4.494 1.370 5.998 261 HE2 TYR 83 HE2 TYR 83 -6.771 1.550 2.396 262 HH TYR 83 HH TYR 83 -7.576 2.011 4.600 263 H ASN 84 H ASN 84 -3.166 -2.621 5.213 264 HA ASN 84 HA ASN 84 -5.583 -3.973 4.241 265 HB2 ASN 84 HB2 ASN 84 -4.293 -5.252 5.885 266 HB3 ASN 84 HB3 ASN 84 -4.349 -3.894 7.001 267 HD21 ASN 84 HD21 ASN 84 -6.087 -3.605 8.276 268 HD22 ASN 84 HD22 ASN 84 -7.469 -4.658 8.289 269 H THR 85 H THR 85 -7.585 -3.145 4.688 270 HA THR 85 HA THR 85 -7.556 -0.324 4.585 271 HB THR 85 HB THR 85 -10.072 -0.557 4.535 272 HG1 THR 85 HG1 THR 85 -9.501 -3.357 4.388 273 HG21 THR 85 HG21 THR 85 -8.292 -0.788 2.616 274 HG22 THR 85 HG22 THR 85 -9.997 -1.119 2.309 275 HG23 THR 85 HG23 THR 85 -8.871 -2.451 2.573 276 H SER 86 H SER 86 -7.679 -2.334 7.294 277 HA SER 86 HA SER 86 -9.067 -0.306 8.890 278 HB2 SER 86 HB2 SER 86 -9.581 -2.852 8.975 279 HB3 SER 86 HB3 SER 86 -8.120 -2.948 9.954 280 HG SER 86 HG SER 86 -9.052 -1.683 11.495 281 H ASP 87 H ASP 87 -6.082 -0.655 7.829 282 HA ASP 87 HA ASP 87 -4.750 -0.123 10.398 283 HB2 ASP 87 HB2 ASP 87 -3.713 -1.068 7.731 284 HB3 ASP 87 HB3 ASP 87 -2.637 -0.448 8.977 285 H ASP 88 H ASP 88 -3.229 1.610 10.528 286 HA ASP 88 HA ASP 88 -4.230 3.982 9.242 287 HB2 ASP 88 HB2 ASP 88 -1.934 3.642 11.185 288 HB3 ASP 88 HB3 ASP 88 -2.612 5.178 10.663 289 HA PRO 89 HA PRO 89 -1.516 4.304 5.807 290 HB2 PRO 89 HB2 PRO 89 -0.845 6.994 5.984 291 HB3 PRO 89 HB3 PRO 89 -2.274 6.358 5.173 292 HG2 PRO 89 HG2 PRO 89 -2.005 7.511 7.913 293 HG3 PRO 89 HG3 PRO 89 -3.334 7.675 6.750 294 HD2 PRO 89 HD2 PRO 89 -3.540 6.060 8.848 295 HD3 PRO 89 HD3 PRO 89 -4.217 5.592 7.283 296 H TRP 90 H TRP 90 -0.300 6.492 8.316 297 HA TRP 90 HA TRP 90 2.369 6.273 7.550 298 HB2 TRP 90 HB2 TRP 90 2.883 7.329 9.732 299 HB3 TRP 90 HB3 TRP 90 1.614 8.161 8.844 300 HD1 TRP 90 HD1 TRP 90 -0.997 7.477 9.732 301 HE1 TRP 90 HE1 TRP 90 -1.798 7.216 12.167 302 HE3 TRP 90 HE3 TRP 90 3.528 6.749 11.984 303 HZ2 TRP 90 HZ2 TRP 90 -0.649 6.767 14.706 304 HZ3 TRP 90 HZ3 TRP 90 3.592 6.421 14.423 305 HH2 TRP 90 HH2 TRP 90 1.544 6.432 15.755 306 H LEU 91 H LEU 91 0.431 4.223 9.580 307 HA LEU 91 HA LEU 91 2.683 2.841 10.713 308 HB2 LEU 91 HB2 LEU 91 -0.235 2.100 10.563 309 HB3 LEU 91 HB3 LEU 91 0.972 1.178 11.436 310 HG LEU 91 HG LEU 91 0.105 3.999 12.050 311 HD11 LEU 91 HD11 LEU 91 -0.294 1.414 13.544 312 HD12 LEU 91 HD12 LEU 91 -1.539 2.328 12.696 313 HD13 LEU 91 HD13 LEU 91 -0.755 3.015 14.117 314 HD21 LEU 91 HD21 LEU 91 1.584 3.876 13.950 315 HD22 LEU 91 HD22 LEU 91 2.492 3.613 12.457 316 HD23 LEU 91 HD23 LEU 91 2.083 2.245 13.492 317 H THR 92 H THR 92 0.256 2.062 8.237 318 HA THR 92 HA THR 92 1.258 -0.420 7.454 319 HB THR 92 HB THR 92 -0.146 1.655 5.767 320 HG1 THR 92 HG1 THR 92 -1.494 1.135 7.428 321 HG21 THR 92 HG21 THR 92 0.895 -0.033 4.364 322 HG22 THR 92 HG22 THR 92 -0.856 -0.258 4.381 323 HG23 THR 92 HG23 THR 92 0.177 -1.314 5.343 324 H ALA 93 H ALA 93 1.996 2.821 6.269 325 HA ALA 93 HA ALA 93 3.724 1.982 4.188 326 HB1 ALA 93 HB1 ALA 93 2.615 4.099 4.070 327 HB2 ALA 93 HB2 ALA 93 4.353 4.389 4.161 328 HB3 ALA 93 HB3 ALA 93 3.344 4.617 5.588 329 H TYR 94 H TYR 94 4.162 2.997 7.520 330 HA TYR 94 HA TYR 94 6.985 3.149 7.532 331 HB2 TYR 94 HB2 TYR 94 5.260 3.993 9.252 332 HB3 TYR 94 HB3 TYR 94 5.280 2.347 9.884 333 HD1 TYR 94 HD1 TYR 94 7.504 1.399 10.642 334 HD2 TYR 94 HD2 TYR 94 6.886 5.535 9.914 335 HE1 TYR 94 HE1 TYR 94 9.454 1.926 12.053 336 HE2 TYR 94 HE2 TYR 94 8.839 6.082 11.313 337 HH TYR 94 HH TYR 94 10.105 5.044 13.183 338 H ASN 95 H ASN 95 4.669 0.583 8.264 339 HA ASN 95 HA ASN 95 6.383 -1.429 9.117 340 HB2 ASN 95 HB2 ASN 95 3.909 -1.560 9.188 341 HB3 ASN 95 HB3 ASN 95 3.886 -1.742 7.439 342 HD21 ASN 95 HD21 ASN 95 2.919 -3.730 7.461 343 HD22 ASN 95 HD22 ASN 95 3.720 -5.158 8.028 344 H PHE 96 H PHE 96 5.308 -0.674 5.810 345 HA PHE 96 HA PHE 96 6.924 -2.676 4.611 346 HB2 PHE 96 HB2 PHE 96 5.050 -1.906 3.374 347 HB3 PHE 96 HB3 PHE 96 5.555 -0.226 3.496 348 HD1 PHE 96 HD1 PHE 96 6.951 -3.472 2.276 349 HD2 PHE 96 HD2 PHE 96 6.435 0.699 1.587 350 HE1 PHE 96 HE1 PHE 96 8.122 -3.686 0.124 351 HE2 PHE 96 HE2 PHE 96 7.603 0.489 -0.566 352 HZ PHE 96 HZ PHE 96 8.448 -1.704 -1.301 353 H LEU 97 H LEU 97 7.402 0.735 5.334 354 HA LEU 97 HA LEU 97 9.791 1.097 3.908 355 HB2 LEU 97 HB2 LEU 97 8.146 2.637 5.528 356 HB3 LEU 97 HB3 LEU 97 9.691 2.643 6.355 357 HG LEU 97 HG LEU 97 10.758 3.427 4.249 358 HD11 LEU 97 HD11 LEU 97 7.918 3.757 3.296 359 HD12 LEU 97 HD12 LEU 97 9.019 2.489 2.761 360 HD13 LEU 97 HD13 LEU 97 9.392 4.182 2.419 361 HD21 LEU 97 HD21 LEU 97 9.771 4.911 6.125 362 HD22 LEU 97 HD22 LEU 97 8.531 5.302 4.929 363 HD23 LEU 97 HD23 LEU 97 10.224 5.651 4.591 364 H GLN 98 H GLN 98 9.247 0.069 7.275 365 HA GLN 98 HA GLN 98 12.047 -0.222 7.820 366 HB2 GLN 98 HB2 GLN 98 11.320 -1.429 9.857 367 HB3 GLN 98 HB3 GLN 98 10.527 0.130 9.672 368 HG2 GLN 98 HG2 GLN 98 8.515 -0.894 8.948 369 HG3 GLN 98 HG3 GLN 98 9.292 -2.469 8.838 370 HE21 GLN 98 HE21 GLN 98 9.638 -3.658 10.677 371 HE22 GLN 98 HE22 GLN 98 8.895 -3.264 12.192 372 H LYS 99 H LYS 99 9.498 -2.300 6.635 373 HA LYS 99 HA LYS 99 10.749 -4.785 7.006 374 HB2 LYS 99 HB2 LYS 99 8.385 -4.623 6.515 375 HB3 LYS 99 HB3 LYS 99 8.717 -3.898 4.954 376 HG2 LYS 99 HG2 LYS 99 10.123 -6.302 4.982 377 HG3 LYS 99 HG3 LYS 99 8.546 -6.662 5.678 378 HD2 LYS 99 HD2 LYS 99 7.410 -5.899 3.758 379 HD3 LYS 99 HD3 LYS 99 8.854 -5.095 3.134 380 HE2 LYS 99 HE2 LYS 99 8.226 -7.259 2.001 381 HE3 LYS 99 HE3 LYS 99 9.885 -7.148 2.590 382 HZ1 LYS 99 HZ1 LYS 99 9.243 -8.428 4.530 383 HZ2 LYS 99 HZ2 LYS 99 8.892 -9.286 3.113 384 HZ3 LYS 99 HZ3 LYS 99 7.645 -8.527 3.973 385 H ASN 100 H ASN 100 10.784 -2.539 4.263 386 HA ASN 100 HA ASN 100 12.636 -4.341 2.876 387 HB2 ASN 100 HB2 ASN 100 10.463 -3.082 1.889 388 HB3 ASN 100 HB3 ASN 100 11.686 -1.865 1.543 389 HD21 ASN 100 HD21 ASN 100 13.863 -3.591 1.045 390 HD22 ASN 100 HD22 ASN 100 13.544 -4.432 -0.434 391 H ASP 101 H ASP 101 12.718 -1.852 4.951 392 HA ASP 101 HA ASP 101 14.239 -0.333 5.660 393 HB2 ASP 101 HB2 ASP 101 15.751 -2.370 5.386 394 HB3 ASP 101 HB3 ASP 101 16.264 -1.654 3.861 395 H LEU 102 H LEU 102 12.732 0.939 4.154 396 HA LEU 102 HA LEU 102 14.190 2.112 1.902 397 HB2 LEU 102 HB2 LEU 102 11.319 2.393 2.780 398 HB3 LEU 102 HB3 LEU 102 12.007 3.258 1.437 399 HG LEU 102 HG LEU 102 11.269 1.614 0.148 400 HD11 LEU 102 HD11 LEU 102 12.531 -0.430 -0.022 401 HD12 LEU 102 HD12 LEU 102 13.241 -0.138 1.564 402 HD13 LEU 102 HD13 LEU 102 13.610 0.947 0.220 403 HD21 LEU 102 HD21 LEU 102 9.610 0.859 1.532 404 HD22 LEU 102 HD22 LEU 102 10.745 0.269 2.738 405 HD23 LEU 102 HD23 LEU 102 10.533 -0.612 1.223 406 H ASN 103 H ASN 103 13.703 4.518 1.640 407 HA ASN 103 HA ASN 103 14.748 5.930 3.898 408 HB2 ASN 103 HB2 ASN 103 15.210 6.375 1.418 409 HB3 ASN 103 HB3 ASN 103 13.607 7.072 1.364 410 HD21 ASN 103 HD21 ASN 103 16.358 8.149 0.958 411 HD22 ASN 103 HD22 ASN 103 16.412 9.565 1.951 412 HA PRO 104 HA PRO 104 10.891 6.904 5.906 413 HB2 PRO 104 HB2 PRO 104 12.394 9.330 6.739 414 HB3 PRO 104 HB3 PRO 104 11.556 8.131 7.728 415 HG2 PRO 104 HG2 PRO 104 14.209 8.156 7.615 416 HG3 PRO 104 HG3 PRO 104 13.321 6.620 7.628 417 HD2 PRO 104 HD2 PRO 104 14.591 8.054 5.322 418 HD3 PRO 104 HD3 PRO 104 14.569 6.319 5.681 419 H MET 105 H MET 105 12.537 8.909 3.656 420 HA MET 105 HA MET 105 10.695 11.028 3.382 421 HB2 MET 105 HB2 MET 105 13.007 10.980 2.448 422 HB3 MET 105 HB3 MET 105 12.460 9.811 1.263 423 HG2 MET 105 HG2 MET 105 10.826 11.485 0.447 424 HG3 MET 105 HG3 MET 105 11.551 12.660 1.540 425 HE1 MET 105 HE1 MET 105 15.240 12.783 0.099 426 HE2 MET 105 HE2 MET 105 14.633 11.685 1.338 427 HE3 MET 105 HE3 MET 105 14.165 13.386 1.362 428 H PHE 106 H PHE 106 10.506 7.719 2.527 429 HA PHE 106 HA PHE 106 8.670 8.124 0.319 430 HB2 PHE 106 HB2 PHE 106 9.719 5.665 1.697 431 HB3 PHE 106 HB3 PHE 106 8.496 5.590 0.439 432 HD1 PHE 106 HD1 PHE 106 9.163 6.921 -1.765 433 HD2 PHE 106 HD2 PHE 106 11.911 5.359 1.094 434 HE1 PHE 106 HE1 PHE 106 10.928 6.893 -3.479 435 HE2 PHE 106 HE2 PHE 106 13.676 5.332 -0.620 436 HZ PHE 106 HZ PHE 106 13.185 6.095 -2.908 437 H LEU 107 H LEU 107 8.538 7.805 3.699 438 HA LEU 107 HA LEU 107 6.324 6.193 4.127 439 HB2 LEU 107 HB2 LEU 107 7.831 6.765 5.892 440 HB3 LEU 107 HB3 LEU 107 7.461 8.469 5.754 441 HG LEU 107 HG LEU 107 5.251 8.100 6.699 442 HD11 LEU 107 HD11 LEU 107 5.989 5.203 7.004 443 HD12 LEU 107 HD12 LEU 107 5.007 5.814 5.683 444 HD13 LEU 107 HD13 LEU 107 4.437 5.974 7.341 445 HD21 LEU 107 HD21 LEU 107 7.243 8.360 8.185 446 HD22 LEU 107 HD22 LEU 107 7.292 6.596 8.324 447 HD23 LEU 107 HD23 LEU 107 5.892 7.496 8.919 448 H ASP 108 H ASP 108 6.356 9.764 3.774 449 HA ASP 108 HA ASP 108 3.571 10.032 4.156 450 HB2 ASP 108 HB2 ASP 108 4.925 11.994 4.371 451 HB3 ASP 108 HB3 ASP 108 5.569 11.806 2.744 452 H GLN 109 H GLN 109 5.522 9.584 1.248 453 HA GLN 109 HA GLN 109 3.543 9.989 -0.674 454 HB2 GLN 109 HB2 GLN 109 5.736 9.916 -1.475 455 HB3 GLN 109 HB3 GLN 109 6.121 8.454 -0.579 456 HG2 GLN 109 HG2 GLN 109 4.629 7.201 -2.097 457 HG3 GLN 109 HG3 GLN 109 4.427 8.672 -3.052 458 HE21 GLN 109 HE21 GLN 109 5.559 6.100 -3.805 459 HE22 GLN 109 HE22 GLN 109 7.177 6.408 -4.333 460 H VAL 110 H VAL 110 4.681 6.926 0.749 461 HA VAL 110 HA VAL 110 2.758 5.327 -0.571 462 HB VAL 110 HB VAL 110 3.336 3.717 1.435 463 HG11 VAL 110 HG11 VAL 110 4.992 2.805 0.121 464 HG12 VAL 110 HG12 VAL 110 5.625 4.385 -0.318 465 HG13 VAL 110 HG13 VAL 110 4.127 3.812 -1.044 466 HG21 VAL 110 HG21 VAL 110 5.335 4.128 2.563 467 HG22 VAL 110 HG22 VAL 110 4.428 5.635 2.677 468 HG23 VAL 110 HG23 VAL 110 5.741 5.487 1.517 469 H ALA 111 H ALA 111 2.818 6.836 2.632 470 HA ALA 111 HA ALA 111 0.473 5.590 3.603 471 HB1 ALA 111 HB1 ALA 111 1.610 8.227 4.484 472 HB2 ALA 111 HB2 ALA 111 2.186 6.649 5.027 473 HB3 ALA 111 HB3 ALA 111 0.540 7.167 5.397 474 H LYS 112 H LYS 112 1.008 8.651 1.904 475 HA LYS 112 HA LYS 112 -1.651 9.571 2.175 476 HB2 LYS 112 HB2 LYS 112 0.593 10.304 0.304 477 HB3 LYS 112 HB3 LYS 112 -1.003 11.046 0.180 478 HG2 LYS 112 HG2 LYS 112 0.712 11.065 2.655 479 HG3 LYS 112 HG3 LYS 112 0.580 12.396 1.500 480 HD2 LYS 112 HD2 LYS 112 -1.751 12.664 1.995 481 HD3 LYS 112 HD3 LYS 112 -1.750 11.207 2.995 482 HE2 LYS 112 HE2 LYS 112 -1.702 13.306 4.306 483 HE3 LYS 112 HE3 LYS 112 -0.321 12.253 4.615 484 HZ1 LYS 112 HZ1 LYS 112 0.234 14.651 4.344 485 HZ2 LYS 112 HZ2 LYS 112 -0.244 14.541 2.720 486 HZ3 LYS 112 HZ3 LYS 112 1.068 13.622 3.289 487 H PHE 113 H PHE 113 -0.046 7.580 -0.273 488 HA PHE 113 HA PHE 113 -2.299 7.480 -2.001 489 HB2 PHE 113 HB2 PHE 113 0.162 6.749 -2.479 490 HB3 PHE 113 HB3 PHE 113 -0.339 5.211 -1.780 491 HD1 PHE 113 HD1 PHE 113 -2.314 4.012 -2.791 492 HD2 PHE 113 HD2 PHE 113 -0.391 7.292 -4.694 493 HE1 PHE 113 HE1 PHE 113 -3.333 3.356 -4.937 494 HE2 PHE 113 HE2 PHE 113 -1.403 6.646 -6.840 495 HZ PHE 113 HZ PHE 113 -2.877 4.678 -6.964 496 H ILE 114 H ILE 114 -1.141 5.427 0.647 497 HA ILE 114 HA ILE 114 -3.087 3.503 0.805 498 HB ILE 114 HB ILE 114 -1.631 5.044 2.921 499 HG12 ILE 114 HG12 ILE 114 -1.498 2.095 2.419 500 HG13 ILE 114 HG13 ILE 114 -0.642 3.204 1.349 501 HG21 ILE 114 HG21 ILE 114 -4.037 4.108 3.507 502 HG22 ILE 114 HG22 ILE 114 -2.701 4.032 4.638 503 HG23 ILE 114 HG23 ILE 114 -3.127 2.609 3.694 504 HD11 ILE 114 HD11 ILE 114 0.611 2.190 3.342 505 HD12 ILE 114 HD12 ILE 114 -0.296 3.361 4.301 506 HD13 ILE 114 HD13 ILE 114 0.772 3.914 3.023 507 H ILE 115 H ILE 115 -3.150 6.708 2.313 508 HA ILE 115 HA ILE 115 -5.719 6.623 3.351 509 HB ILE 115 HB ILE 115 -4.030 8.937 2.435 510 HG12 ILE 115 HG12 ILE 115 -4.860 8.134 5.220 511 HG13 ILE 115 HG13 ILE 115 -3.429 7.474 4.439 512 HG21 ILE 115 HG21 ILE 115 -6.166 9.852 2.233 513 HG22 ILE 115 HG22 ILE 115 -5.680 10.286 3.873 514 HG23 ILE 115 HG23 ILE 115 -6.789 8.943 3.608 515 HD11 ILE 115 HD11 ILE 115 -3.714 10.425 4.530 516 HD12 ILE 115 HD12 ILE 115 -2.272 9.405 4.620 517 HD13 ILE 115 HD13 ILE 115 -3.322 9.573 6.024 518 H ASP 116 H ASP 116 -4.637 7.906 0.210 519 HA ASP 116 HA ASP 116 -7.150 8.856 -0.609 520 HB2 ASP 116 HB2 ASP 116 -4.893 9.439 -1.592 521 HB3 ASP 116 HB3 ASP 116 -4.942 7.899 -2.442 522 H ASN 117 H ASN 117 -5.897 5.639 -0.524 523 HA ASN 117 HA ASN 117 -7.569 4.478 -2.495 524 HB2 ASN 117 HB2 ASN 117 -5.589 3.328 -1.579 525 HB3 ASN 117 HB3 ASN 117 -6.389 3.198 -0.017 526 HD21 ASN 117 HD21 ASN 117 -8.010 1.678 0.266 527 HD22 ASN 117 HD22 ASN 117 -8.332 0.434 -0.889 528 H THR 118 H THR 118 -8.008 5.037 0.975 529 HA THR 118 HA THR 118 -10.731 3.966 0.811 530 HB THR 118 HB THR 118 -10.580 4.444 3.380 531 HG1 THR 118 HG1 THR 118 -8.665 5.053 4.064 532 HG21 THR 118 HG21 THR 118 -8.896 2.255 2.148 533 HG22 THR 118 HG22 THR 118 -10.650 2.203 2.308 534 HG23 THR 118 HG23 THR 118 -9.635 2.243 3.749 535 H LYS 119 H LYS 119 -8.930 6.876 1.466 536 HA LYS 119 HA LYS 119 -11.114 8.569 2.148 537 HB2 LYS 119 HB2 LYS 119 -8.831 9.164 2.768 538 HB3 LYS 119 HB3 LYS 119 -8.326 9.112 1.088 539 HG2 LYS 119 HG2 LYS 119 -10.478 11.002 1.531 540 HG3 LYS 119 HG3 LYS 119 -9.056 11.351 2.512 541 HD2 LYS 119 HD2 LYS 119 -9.065 10.935 -0.474 542 HD3 LYS 119 HD3 LYS 119 -9.001 12.498 0.337 543 HE2 LYS 119 HE2 LYS 119 -6.877 11.882 1.367 544 HE3 LYS 119 HE3 LYS 119 -6.950 10.305 0.583 545 HZ1 LYS 119 HZ1 LYS 119 -6.817 11.375 -1.567 546 HZ2 LYS 119 HZ2 LYS 119 -5.509 11.871 -0.602 547 HZ3 LYS 119 HZ3 LYS 119 -6.825 12.906 -0.840 548 H GLY 120 H GLY 120 -12.149 10.127 0.800 549 HA2 GLY 120 HA2 GLY 120 -12.932 9.356 -1.745 550 HA3 GLY 120 HA3 GLY 120 -12.997 11.011 -1.152 551 H GLN 121 H GLN 121 -11.850 9.153 -3.551 552 HA GLN 121 HA GLN 121 -9.157 9.643 -3.826 553 HB2 GLN 121 HB2 GLN 121 -11.284 9.272 -5.931 554 HB3 GLN 121 HB3 GLN 121 -9.569 9.345 -6.308 555 HG2 GLN 121 HG2 GLN 121 -10.192 7.059 -6.202 556 HG3 GLN 121 HG3 GLN 121 -9.213 7.414 -4.782 557 HE21 GLN 121 HE21 GLN 121 -10.008 5.737 -3.566 558 HE22 GLN 121 HE22 GLN 121 -11.623 5.694 -2.961 559 H MET 122 H MET 122 -7.893 11.182 -4.629 560 HA MET 122 HA MET 122 -7.151 13.173 -5.408 561 HB2 MET 122 HB2 MET 122 -8.605 13.081 -7.295 562 HB3 MET 122 HB3 MET 122 -10.004 13.497 -6.316 563 HG2 MET 122 HG2 MET 122 -8.968 15.717 -5.893 564 HG3 MET 122 HG3 MET 122 -7.691 15.283 -7.026 565 HE1 MET 122 HE1 MET 122 -9.932 17.964 -8.904 566 HE2 MET 122 HE2 MET 122 -8.333 17.626 -8.238 567 HE3 MET 122 HE3 MET 122 -9.701 17.884 -7.156 568 H LEU 123 H LEU 123 -10.414 13.906 -4.171 569 HA LEU 123 HA LEU 123 -9.237 16.121 -2.657 570 HB2 LEU 123 HB2 LEU 123 -11.165 16.570 -4.131 571 HB3 LEU 123 HB3 LEU 123 -12.129 15.442 -3.205 572 HG LEU 123 HG LEU 123 -11.829 16.904 -1.208 573 HD11 LEU 123 HD11 LEU 123 -10.668 18.837 -3.206 574 HD12 LEU 123 HD12 LEU 123 -9.768 18.011 -1.934 575 HD13 LEU 123 HD13 LEU 123 -11.029 19.169 -1.511 576 HD21 LEU 123 HD21 LEU 123 -13.852 17.010 -2.539 577 HD22 LEU 123 HD22 LEU 123 -13.091 18.158 -3.642 578 HD23 LEU 123 HD23 LEU 123 -13.411 18.620 -1.969 579 H GLY 124 H GLY 124 -12.082 14.188 -1.934 580 HA2 GLY 124 HA2 GLY 124 -11.328 12.528 0.043 581 HA3 GLY 124 HA3 GLY 124 -11.355 14.087 0.860 582 H LEU 125 H LEU 125 -13.029 12.308 1.867 583 HA LEU 125 HA LEU 125 -15.639 13.278 0.914 584 HB2 LEU 125 HB2 LEU 125 -14.985 10.567 2.068 585 HB3 LEU 125 HB3 LEU 125 -16.613 11.161 1.811 586 HG LEU 125 HG LEU 125 -14.562 10.618 -0.341 587 HD11 LEU 125 HD11 LEU 125 -17.185 9.231 0.129 588 HD12 LEU 125 HD12 LEU 125 -15.686 8.684 0.873 589 HD13 LEU 125 HD13 LEU 125 -15.834 8.720 -0.887 590 HD21 LEU 125 HD21 LEU 125 -16.399 11.077 -1.905 591 HD22 LEU 125 HD22 LEU 125 -15.990 12.500 -0.949 592 HD23 LEU 125 HD23 LEU 125 -17.425 11.556 -0.555 593 H GLY 126 H GLY 126 -17.209 12.400 2.929 594 HA2 GLY 126 HA2 GLY 126 -16.325 12.807 5.546 595 HA3 GLY 126 HA3 GLY 126 -16.798 14.376 4.900 596 H ASN 127 H ASN 127 -17.864 11.523 6.342 597 HA ASN 127 HA ASN 127 -20.663 12.152 5.645 598 HB2 ASN 127 HB2 ASN 127 -19.916 9.992 4.727 599 HB3 ASN 127 HB3 ASN 127 -19.460 9.461 6.342 600 HD21 ASN 127 HD21 ASN 127 -20.834 7.717 6.258 601 HD22 ASN 127 HD22 ASN 127 -22.552 7.873 6.376 602 HA PRO 128 HA PRO 128 -20.528 12.880 10.140 603 HB2 PRO 128 HB2 PRO 128 -22.699 14.740 9.689 604 HB3 PRO 128 HB3 PRO 128 -21.047 15.083 10.200 605 HG2 PRO 128 HG2 PRO 128 -22.060 15.811 7.774 606 HG3 PRO 128 HG3 PRO 128 -20.338 15.512 8.074 607 HD2 PRO 128 HD2 PRO 128 -22.386 13.718 6.823 608 HD3 PRO 128 HD3 PRO 128 -20.692 13.996 6.357 Start of MODEL 7 1 H1 ALA 49 H1 ALA 49 -14.856 -21.785 -5.809 2 H2 ALA 49 H2 ALA 49 -15.474 -22.647 -4.485 3 H3 ALA 49 H3 ALA 49 -14.747 -21.136 -4.245 4 HA ALA 49 HA ALA 49 -16.508 -20.134 -5.642 5 HB1 ALA 49 HB1 ALA 49 -17.131 -22.208 -6.802 6 HB2 ALA 49 HB2 ALA 49 -18.521 -21.435 -6.039 7 HB3 ALA 49 HB3 ALA 49 -17.776 -22.850 -5.291 8 H ASN 50 H ASN 50 -18.847 -19.899 -4.648 9 HA ASN 50 HA ASN 50 -20.174 -19.369 -2.894 10 HB2 ASN 50 HB2 ASN 50 -18.313 -21.152 -1.311 11 HB3 ASN 50 HB3 ASN 50 -19.718 -20.351 -0.616 12 HD21 ASN 50 HD21 ASN 50 -20.651 -22.318 -0.080 13 HD22 ASN 50 HD22 ASN 50 -21.357 -23.352 -1.277 14 H GLN 51 H GLN 51 -17.178 -19.547 -1.014 15 HA GLN 51 HA GLN 51 -17.128 -16.604 -0.989 16 HB2 GLN 51 HB2 GLN 51 -16.661 -18.468 1.346 17 HB3 GLN 51 HB3 GLN 51 -16.222 -16.768 1.359 18 HG2 GLN 51 HG2 GLN 51 -18.268 -16.838 2.453 19 HG3 GLN 51 HG3 GLN 51 -18.676 -16.315 0.821 20 HE21 GLN 51 HE21 GLN 51 -20.771 -17.023 0.913 21 HE22 GLN 51 HE22 GLN 51 -21.194 -18.709 0.911 22 H GLN 52 H GLN 52 -15.647 -17.024 -2.792 23 HA GLN 52 HA GLN 52 -13.053 -18.129 -2.106 24 HB2 GLN 52 HB2 GLN 52 -14.299 -18.338 -4.373 25 HB3 GLN 52 HB3 GLN 52 -13.744 -16.699 -4.666 26 HG2 GLN 52 HG2 GLN 52 -11.452 -17.384 -4.555 27 HG3 GLN 52 HG3 GLN 52 -11.919 -19.008 -4.048 28 HE21 GLN 52 HE21 GLN 52 -11.740 -16.766 -6.694 29 HE22 GLN 52 HE22 GLN 52 -12.043 -17.919 -7.958 30 H THR 53 H THR 53 -11.291 -16.453 -3.408 31 HA THR 53 HA THR 53 -10.783 -14.505 -1.466 32 HB THR 53 HB THR 53 -9.713 -14.642 -4.286 33 HG1 THR 53 HG1 THR 53 -9.345 -16.212 -2.080 34 HG21 THR 53 HG21 THR 53 -8.608 -13.329 -1.803 35 HG22 THR 53 HG22 THR 53 -9.241 -12.499 -3.224 36 HG23 THR 53 HG23 THR 53 -7.769 -13.464 -3.347 37 H SER 54 H SER 54 -11.492 -12.506 -1.183 38 HA SER 54 HA SER 54 -13.171 -11.330 -3.281 39 HB2 SER 54 HB2 SER 54 -13.960 -9.885 -1.289 40 HB3 SER 54 HB3 SER 54 -14.461 -11.573 -1.340 41 HG SER 54 HG SER 54 -13.577 -11.726 0.555 42 H GLY 55 H GLY 55 -11.299 -10.549 -4.442 43 HA2 GLY 55 HA2 GLY 55 -9.995 -8.803 -5.148 44 HA3 GLY 55 HA3 GLY 55 -10.972 -7.800 -4.089 45 H LYS 56 H LYS 56 -8.475 -10.307 -3.625 46 HA LYS 56 HA LYS 56 -7.113 -8.449 -1.804 47 HB2 LYS 56 HB2 LYS 56 -7.355 -11.449 -1.741 48 HB3 LYS 56 HB3 LYS 56 -6.195 -10.560 -0.772 49 HG2 LYS 56 HG2 LYS 56 -9.110 -9.941 -0.681 50 HG3 LYS 56 HG3 LYS 56 -8.407 -11.201 0.335 51 HD2 LYS 56 HD2 LYS 56 -8.040 -9.553 1.792 52 HD3 LYS 56 HD3 LYS 56 -6.792 -8.974 0.690 53 HE2 LYS 56 HE2 LYS 56 -8.374 -7.197 1.264 54 HE3 LYS 56 HE3 LYS 56 -8.416 -7.589 -0.453 55 HZ1 LYS 56 HZ1 LYS 56 -10.328 -8.858 1.393 56 HZ2 LYS 56 HZ2 LYS 56 -10.474 -8.570 -0.274 57 HZ3 LYS 56 HZ3 LYS 56 -10.605 -7.283 0.825 58 H VAL 57 H VAL 57 -4.863 -8.396 -1.859 59 HA VAL 57 HA VAL 57 -3.721 -9.112 -4.474 60 HB VAL 57 HB VAL 57 -2.472 -7.306 -2.417 61 HG11 VAL 57 HG11 VAL 57 -2.085 -7.759 -5.354 62 HG12 VAL 57 HG12 VAL 57 -0.894 -7.818 -4.048 63 HG13 VAL 57 HG13 VAL 57 -1.553 -6.271 -4.573 64 HG21 VAL 57 HG21 VAL 57 -3.580 -5.427 -3.196 65 HG22 VAL 57 HG22 VAL 57 -4.858 -6.639 -3.100 66 HG23 VAL 57 HG23 VAL 57 -4.140 -6.239 -4.660 67 H LEU 58 H LEU 58 -2.012 -10.483 -4.632 68 HA LEU 58 HA LEU 58 -0.984 -11.632 -2.129 69 HB2 LEU 58 HB2 LEU 58 -1.962 -13.194 -3.763 70 HB3 LEU 58 HB3 LEU 58 -0.789 -12.675 -4.960 71 HG LEU 58 HG LEU 58 0.975 -13.465 -3.237 72 HD11 LEU 58 HD11 LEU 58 -1.188 -15.301 -2.327 73 HD12 LEU 58 HD12 LEU 58 -0.985 -13.739 -1.537 74 HD13 LEU 58 HD13 LEU 58 0.349 -14.899 -1.553 75 HD21 LEU 58 HD21 LEU 58 0.880 -15.729 -4.123 76 HD22 LEU 58 HD22 LEU 58 0.546 -14.547 -5.390 77 HD23 LEU 58 HD23 LEU 58 -0.778 -15.460 -4.663 78 H TYR 59 H TYR 59 0.883 -10.830 -1.437 79 HA TYR 59 HA TYR 59 2.893 -10.081 -3.458 80 HB2 TYR 59 HB2 TYR 59 3.499 -8.169 -2.322 81 HB3 TYR 59 HB3 TYR 59 1.781 -8.216 -1.952 82 HD1 TYR 59 HD1 TYR 59 1.120 -9.343 0.296 83 HD2 TYR 59 HD2 TYR 59 5.047 -7.995 -0.618 84 HE1 TYR 59 HE1 TYR 59 1.667 -9.318 2.694 85 HE2 TYR 59 HE2 TYR 59 5.605 -7.962 1.778 86 HH TYR 59 HH TYR 59 4.354 -7.766 3.954 87 H GLU 60 H GLU 60 4.526 -11.396 -3.473 88 HA GLU 60 HA GLU 60 6.080 -12.941 -2.897 89 HB2 GLU 60 HB2 GLU 60 6.048 -11.471 -0.279 90 HB3 GLU 60 HB3 GLU 60 7.351 -12.487 -0.880 91 HG2 GLU 60 HG2 GLU 60 7.740 -10.969 -2.708 92 HG3 GLU 60 HG3 GLU 60 6.362 -9.988 -2.210 93 H GLY 61 H GLY 61 3.206 -13.462 -2.098 94 HA2 GLY 61 HA2 GLY 61 2.605 -15.776 -1.618 95 HA3 GLY 61 HA3 GLY 61 3.849 -15.774 -0.383 96 H LYS 62 H LYS 62 2.708 -12.905 0.276 97 HA LYS 62 HA LYS 62 0.620 -13.965 2.064 98 HB2 LYS 62 HB2 LYS 62 2.630 -12.681 2.992 99 HB3 LYS 62 HB3 LYS 62 1.912 -11.255 2.262 100 HG2 LYS 62 HG2 LYS 62 -0.136 -11.652 3.595 101 HG3 LYS 62 HG3 LYS 62 0.688 -12.991 4.392 102 HD2 LYS 62 HD2 LYS 62 1.569 -10.106 4.427 103 HD3 LYS 62 HD3 LYS 62 0.755 -10.949 5.743 104 HE2 LYS 62 HE2 LYS 62 3.467 -11.600 4.600 105 HE3 LYS 62 HE3 LYS 62 3.145 -10.829 6.153 106 HZ1 LYS 62 HZ1 LYS 62 3.601 -13.137 6.497 107 HZ2 LYS 62 HZ2 LYS 62 2.429 -13.602 5.366 108 HZ3 LYS 62 HZ3 LYS 62 1.958 -12.869 6.822 109 H GLU 63 H GLU 63 -1.336 -12.786 2.350 110 HA GLU 63 HA GLU 63 -2.097 -11.340 -0.096 111 HB2 GLU 63 HB2 GLU 63 -3.682 -13.154 1.702 112 HB3 GLU 63 HB3 GLU 63 -4.440 -12.111 0.504 113 HG2 GLU 63 HG2 GLU 63 -3.307 -13.234 -1.274 114 HG3 GLU 63 HG3 GLU 63 -2.340 -14.166 -0.131 115 H PHE 64 H PHE 64 -3.112 -9.448 -0.003 116 HA PHE 64 HA PHE 64 -3.897 -8.352 2.598 117 HB2 PHE 64 HB2 PHE 64 -1.739 -7.395 0.829 118 HB3 PHE 64 HB3 PHE 64 -2.777 -6.154 1.488 119 HD1 PHE 64 HD1 PHE 64 -2.946 -5.888 3.951 120 HD2 PHE 64 HD2 PHE 64 -0.148 -8.524 2.149 121 HE1 PHE 64 HE1 PHE 64 -1.673 -5.972 6.055 122 HE2 PHE 64 HE2 PHE 64 1.124 -8.625 4.250 123 HZ PHE 64 HZ PHE 64 0.361 -7.342 6.205 124 H ASP 65 H ASP 65 -5.106 -6.285 2.337 125 HA ASP 65 HA ASP 65 -7.266 -6.492 0.578 126 HB2 ASP 65 HB2 ASP 65 -6.148 -4.074 2.035 127 HB3 ASP 65 HB3 ASP 65 -7.638 -4.023 1.108 128 H TYR 66 H TYR 66 -4.916 -3.842 0.518 129 HA TYR 66 HA TYR 66 -4.801 -4.007 -2.415 130 HB2 TYR 66 HB2 TYR 66 -5.352 -1.559 -0.732 131 HB3 TYR 66 HB3 TYR 66 -4.815 -1.465 -2.400 132 HD1 TYR 66 HD1 TYR 66 -6.324 -2.162 -4.223 133 HD2 TYR 66 HD2 TYR 66 -7.602 -2.150 -0.164 134 HE1 TYR 66 HE1 TYR 66 -8.668 -2.258 -4.963 135 HE2 TYR 66 HE2 TYR 66 -9.947 -2.251 -0.895 136 HH TYR 66 HH TYR 66 -11.280 -1.683 -2.856 137 H VAL 67 H VAL 67 -2.624 -4.801 -2.321 138 HA VAL 67 HA VAL 67 -0.716 -3.060 -1.011 139 HB VAL 67 HB VAL 67 0.879 -4.615 -1.254 140 HG11 VAL 67 HG11 VAL 67 -1.138 -5.757 -0.338 141 HG12 VAL 67 HG12 VAL 67 0.088 -6.820 -1.015 142 HG13 VAL 67 HG13 VAL 67 -1.380 -6.472 -1.934 143 HG21 VAL 67 HG21 VAL 67 -0.069 -5.915 -3.750 144 HG22 VAL 67 HG22 VAL 67 1.578 -5.658 -3.158 145 HG23 VAL 67 HG23 VAL 67 0.666 -4.317 -3.856 146 H PHE 68 H PHE 68 0.421 -1.505 -1.949 147 HA PHE 68 HA PHE 68 -0.503 -0.655 -4.567 148 HB2 PHE 68 HB2 PHE 68 -0.475 0.952 -2.710 149 HB3 PHE 68 HB3 PHE 68 1.251 0.706 -2.509 150 HD1 PHE 68 HD1 PHE 68 -1.008 1.458 -5.395 151 HD2 PHE 68 HD2 PHE 68 2.497 2.446 -3.205 152 HE1 PHE 68 HE1 PHE 68 -0.537 3.277 -6.986 153 HE2 PHE 68 HE2 PHE 68 2.976 4.274 -4.787 154 HZ PHE 68 HZ PHE 68 1.459 4.690 -6.682 155 H SER 69 H SER 69 0.819 -0.331 -6.336 156 HA SER 69 HA SER 69 3.388 -1.724 -6.180 157 HB2 SER 69 HB2 SER 69 1.952 -2.649 -7.857 158 HB3 SER 69 HB3 SER 69 1.577 -1.060 -8.504 159 HG SER 69 HG SER 69 4.184 -2.194 -8.515 160 H ILE 70 H ILE 70 5.090 -0.540 -5.942 161 HA ILE 70 HA ILE 70 5.087 2.232 -6.931 162 HB ILE 70 HB ILE 70 6.915 1.065 -4.829 163 HG12 ILE 70 HG12 ILE 70 4.207 2.370 -4.508 164 HG13 ILE 70 HG13 ILE 70 4.729 0.792 -3.904 165 HG21 ILE 70 HG21 ILE 70 7.892 3.016 -5.551 166 HG22 ILE 70 HG22 ILE 70 6.910 3.593 -4.200 167 HG23 ILE 70 HG23 ILE 70 6.346 3.808 -5.857 168 HD11 ILE 70 HD11 ILE 70 6.030 1.775 -2.205 169 HD12 ILE 70 HD12 ILE 70 4.510 2.667 -2.215 170 HD13 ILE 70 HD13 ILE 70 5.948 3.369 -2.952 171 H ASP 71 H ASP 71 6.305 2.524 -8.702 172 HA ASP 71 HA ASP 71 8.359 0.504 -9.292 173 HB2 ASP 71 HB2 ASP 71 6.846 2.294 -11.208 174 HB3 ASP 71 HB3 ASP 71 8.049 1.095 -11.666 175 H VAL 72 H VAL 72 10.399 1.092 -9.801 176 HA VAL 72 HA VAL 72 11.049 3.914 -10.017 177 HB VAL 72 HB VAL 72 11.197 3.574 -7.643 178 HG11 VAL 72 HG11 VAL 72 12.817 1.936 -6.695 179 HG12 VAL 72 HG12 VAL 72 12.976 1.246 -8.310 180 HG13 VAL 72 HG13 VAL 72 11.419 1.204 -7.485 181 HG21 VAL 72 HG21 VAL 72 13.540 4.157 -7.246 182 HG22 VAL 72 HG22 VAL 72 12.883 5.020 -8.635 183 HG23 VAL 72 HG23 VAL 72 13.948 3.634 -8.879 184 H ASN 73 H ASN 73 12.339 0.586 -9.989 185 HA ASN 73 HA ASN 73 14.441 1.442 -11.836 186 HB2 ASN 73 HB2 ASN 73 14.045 -1.225 -10.453 187 HB3 ASN 73 HB3 ASN 73 15.403 -0.807 -11.491 188 HD21 ASN 73 HD21 ASN 73 16.926 0.724 -10.756 189 HD22 ASN 73 HD22 ASN 73 17.073 1.120 -9.074 190 H GLU 74 H GLU 74 14.251 1.161 -13.945 191 HA GLU 74 HA GLU 74 11.906 -0.055 -15.047 192 HB2 GLU 74 HB2 GLU 74 12.910 1.943 -16.047 193 HB3 GLU 74 HB3 GLU 74 14.380 1.048 -16.393 194 HG2 GLU 74 HG2 GLU 74 12.952 1.358 -18.365 195 HG3 GLU 74 HG3 GLU 74 13.232 -0.338 -17.977 196 H GLY 75 H GLY 75 11.663 -2.170 -15.313 197 HA2 GLY 75 HA2 GLY 75 12.154 -4.350 -15.912 198 HA3 GLY 75 HA3 GLY 75 13.738 -3.809 -16.453 199 H GLY 76 H GLY 76 12.916 -2.823 -13.325 200 HA2 GLY 76 HA2 GLY 76 14.596 -4.967 -12.185 201 HA3 GLY 76 HA3 GLY 76 14.695 -3.289 -11.669 202 HA PRO 77 HA PRO 77 11.931 -5.672 -8.752 203 HB2 PRO 77 HB2 PRO 77 12.868 -4.321 -6.545 204 HB3 PRO 77 HB3 PRO 77 13.524 -5.850 -7.133 205 HG2 PRO 77 HG2 PRO 77 14.534 -3.071 -7.547 206 HG3 PRO 77 HG3 PRO 77 15.442 -4.564 -7.240 207 HD2 PRO 77 HD2 PRO 77 15.248 -3.490 -9.701 208 HD3 PRO 77 HD3 PRO 77 15.307 -5.246 -9.445 209 H SER 78 H SER 78 10.131 -4.938 -7.609 210 HA SER 78 HA SER 78 9.524 -2.067 -7.877 211 HB2 SER 78 HB2 SER 78 8.272 -3.492 -9.522 212 HB3 SER 78 HB3 SER 78 7.546 -4.349 -8.164 213 HG SER 78 HG SER 78 6.941 -1.886 -9.228 214 H TYR 79 H TYR 79 8.228 -1.182 -6.217 215 HA TYR 79 HA TYR 79 8.505 -2.589 -3.668 216 HB2 TYR 79 HB2 TYR 79 7.785 0.274 -4.346 217 HB3 TYR 79 HB3 TYR 79 7.877 -0.351 -2.712 218 HD1 TYR 79 HD1 TYR 79 10.323 -1.798 -2.540 219 HD2 TYR 79 HD2 TYR 79 9.492 1.718 -4.783 220 HE1 TYR 79 HE1 TYR 79 12.704 -1.176 -2.444 221 HE2 TYR 79 HE2 TYR 79 11.861 2.349 -4.690 222 HH TYR 79 HH TYR 79 14.310 0.217 -3.618 223 H LYS 80 H LYS 80 6.731 -3.656 -2.870 224 HA LYS 80 HA LYS 80 4.128 -2.634 -3.775 225 HB2 LYS 80 HB2 LYS 80 4.661 -5.390 -2.621 226 HB3 LYS 80 HB3 LYS 80 3.153 -4.817 -3.314 227 HG2 LYS 80 HG2 LYS 80 5.728 -5.328 -4.763 228 HG3 LYS 80 HG3 LYS 80 4.242 -6.260 -4.878 229 HD2 LYS 80 HD2 LYS 80 4.115 -3.362 -5.499 230 HD3 LYS 80 HD3 LYS 80 4.892 -4.417 -6.680 231 HE2 LYS 80 HE2 LYS 80 2.079 -4.648 -5.609 232 HE3 LYS 80 HE3 LYS 80 2.555 -4.139 -7.225 233 HZ1 LYS 80 HZ1 LYS 80 2.825 -6.845 -6.039 234 HZ2 LYS 80 HZ2 LYS 80 3.608 -6.379 -7.466 235 HZ3 LYS 80 HZ3 LYS 80 1.915 -6.381 -7.396 236 H LEU 81 H LEU 81 2.688 -1.937 -2.335 237 HA LEU 81 HA LEU 81 3.580 -1.867 0.477 238 HB2 LEU 81 HB2 LEU 81 3.208 0.224 -1.140 239 HB3 LEU 81 HB3 LEU 81 1.570 0.052 -0.571 240 HG LEU 81 HG LEU 81 3.958 1.061 0.814 241 HD11 LEU 81 HD11 LEU 81 2.364 2.511 1.823 242 HD12 LEU 81 HD12 LEU 81 1.035 1.496 1.279 243 HD13 LEU 81 HD13 LEU 81 1.992 2.395 0.101 244 HD21 LEU 81 HD21 LEU 81 3.142 0.438 3.033 245 HD22 LEU 81 HD22 LEU 81 3.592 -0.986 2.096 246 HD23 LEU 81 HD23 LEU 81 1.891 -0.564 2.297 247 HA PRO 82 HA PRO 82 -0.261 -4.446 0.588 248 HB2 PRO 82 HB2 PRO 82 1.091 -5.172 3.125 249 HB3 PRO 82 HB3 PRO 82 0.334 -6.209 1.914 250 HG2 PRO 82 HG2 PRO 82 2.950 -6.103 2.074 251 HG3 PRO 82 HG3 PRO 82 2.166 -6.091 0.484 252 HD2 PRO 82 HD2 PRO 82 3.301 -3.779 2.023 253 HD3 PRO 82 HD3 PRO 82 3.468 -4.166 0.301 254 H TYR 83 H TYR 83 -1.895 -3.164 1.102 255 HA TYR 83 HA TYR 83 -1.877 -1.760 3.673 256 HB2 TYR 83 HB2 TYR 83 -1.691 0.042 2.305 257 HB3 TYR 83 HB3 TYR 83 -2.241 -0.850 0.894 258 HD1 TYR 83 HD1 TYR 83 -3.643 0.531 4.064 259 HD2 TYR 83 HD2 TYR 83 -4.183 -0.178 -0.084 260 HE1 TYR 83 HE1 TYR 83 -5.776 1.766 4.137 261 HE2 TYR 83 HE2 TYR 83 -6.313 1.041 -0.031 262 HH TYR 83 HH TYR 83 -7.247 2.997 2.557 263 H ASN 84 H ASN 84 -3.526 -2.300 4.974 264 HA ASN 84 HA ASN 84 -5.884 -3.611 3.821 265 HB2 ASN 84 HB2 ASN 84 -5.194 -3.194 6.744 266 HB3 ASN 84 HB3 ASN 84 -6.526 -4.155 6.119 267 HD21 ASN 84 HD21 ASN 84 -5.994 -6.071 4.880 268 HD22 ASN 84 HD22 ASN 84 -4.527 -6.924 5.259 269 H THR 85 H THR 85 -7.936 -2.797 4.066 270 HA THR 85 HA THR 85 -8.051 0.027 3.894 271 HB THR 85 HB THR 85 -10.522 -0.356 3.693 272 HG1 THR 85 HG1 THR 85 -9.882 -3.132 3.668 273 HG21 THR 85 HG21 THR 85 -8.624 -0.632 1.881 274 HG22 THR 85 HG22 THR 85 -10.302 -1.020 1.505 275 HG23 THR 85 HG23 THR 85 -9.163 -2.310 1.900 276 H SER 86 H SER 86 -8.171 -2.052 6.548 277 HA SER 86 HA SER 86 -9.548 -0.075 8.210 278 HB2 SER 86 HB2 SER 86 -9.469 -1.999 9.893 279 HB3 SER 86 HB3 SER 86 -10.507 -2.221 8.487 280 HG SER 86 HG SER 86 -9.336 -4.074 8.657 281 H ASP 87 H ASP 87 -6.585 -0.272 7.173 282 HA ASP 87 HA ASP 87 -5.278 -0.208 9.818 283 HB2 ASP 87 HB2 ASP 87 -4.592 -1.872 7.898 284 HB3 ASP 87 HB3 ASP 87 -3.719 -0.472 7.282 285 H ASP 88 H ASP 88 -3.534 1.346 10.115 286 HA ASP 88 HA ASP 88 -4.413 3.930 9.124 287 HB2 ASP 88 HB2 ASP 88 -2.372 3.226 11.244 288 HB3 ASP 88 HB3 ASP 88 -2.904 4.857 10.846 289 HA PRO 89 HA PRO 89 -1.610 4.446 5.888 290 HB2 PRO 89 HB2 PRO 89 -0.823 7.074 6.317 291 HB3 PRO 89 HB3 PRO 89 -2.273 6.574 5.449 292 HG2 PRO 89 HG2 PRO 89 -1.967 7.442 8.289 293 HG3 PRO 89 HG3 PRO 89 -3.271 7.796 7.139 294 HD2 PRO 89 HD2 PRO 89 -3.599 5.987 9.058 295 HD3 PRO 89 HD3 PRO 89 -4.255 5.701 7.438 296 H TRP 90 H TRP 90 -0.254 6.333 8.566 297 HA TRP 90 HA TRP 90 2.384 5.990 7.688 298 HB2 TRP 90 HB2 TRP 90 2.777 6.653 10.245 299 HB3 TRP 90 HB3 TRP 90 2.296 7.821 9.026 300 HD1 TRP 90 HD1 TRP 90 0.681 5.654 11.802 301 HE1 TRP 90 HE1 TRP 90 -1.449 6.862 12.616 302 HE3 TRP 90 HE3 TRP 90 0.680 9.555 8.508 303 HZ2 TRP 90 HZ2 TRP 90 -2.914 9.184 11.934 304 HZ3 TRP 90 HZ3 TRP 90 -1.116 11.228 8.653 305 HH2 TRP 90 HH2 TRP 90 -2.878 11.045 10.333 306 H LEU 91 H LEU 91 0.348 3.991 9.656 307 HA LEU 91 HA LEU 91 2.526 2.511 10.809 308 HB2 LEU 91 HB2 LEU 91 -0.363 1.689 10.580 309 HB3 LEU 91 HB3 LEU 91 0.832 1.031 11.676 310 HG LEU 91 HG LEU 91 -0.363 3.796 11.774 311 HD11 LEU 91 HD11 LEU 91 -1.819 2.029 12.612 312 HD12 LEU 91 HD12 LEU 91 -1.246 3.062 13.922 313 HD13 LEU 91 HD13 LEU 91 -0.532 1.467 13.679 314 HD21 LEU 91 HD21 LEU 91 1.008 4.201 13.702 315 HD22 LEU 91 HD22 LEU 91 2.040 3.762 12.339 316 HD23 LEU 91 HD23 LEU 91 1.699 2.582 13.601 317 H THR 92 H THR 92 0.069 1.837 8.328 318 HA THR 92 HA THR 92 1.024 -0.607 7.404 319 HB THR 92 HB THR 92 -0.307 1.631 5.871 320 HG1 THR 92 HG1 THR 92 -1.290 0.166 7.766 321 HG21 THR 92 HG21 THR 92 0.780 0.145 4.311 322 HG22 THR 92 HG22 THR 92 -0.963 -0.113 4.258 323 HG23 THR 92 HG23 THR 92 0.074 -1.262 5.105 324 H ALA 93 H ALA 93 1.876 2.682 6.424 325 HA ALA 93 HA ALA 93 3.596 1.913 4.303 326 HB1 ALA 93 HB1 ALA 93 2.508 4.051 4.271 327 HB2 ALA 93 HB2 ALA 93 4.248 4.313 4.364 328 HB3 ALA 93 HB3 ALA 93 3.254 4.502 5.805 329 H TYR 94 H TYR 94 4.081 2.822 7.684 330 HA TYR 94 HA TYR 94 6.900 2.973 7.641 331 HB2 TYR 94 HB2 TYR 94 5.161 3.699 9.455 332 HB3 TYR 94 HB3 TYR 94 5.335 2.046 10.038 333 HD1 TYR 94 HD1 TYR 94 7.664 1.246 10.636 334 HD2 TYR 94 HD2 TYR 94 6.708 5.339 10.084 335 HE1 TYR 94 HE1 TYR 94 9.674 1.876 11.916 336 HE2 TYR 94 HE2 TYR 94 8.709 5.992 11.351 337 HH TYR 94 HH TYR 94 11.223 3.923 12.018 338 H ASN 95 H ASN 95 4.601 0.362 8.210 339 HA ASN 95 HA ASN 95 6.351 -1.655 9.012 340 HB2 ASN 95 HB2 ASN 95 3.826 -1.737 9.015 341 HB3 ASN 95 HB3 ASN 95 3.901 -2.051 7.284 342 HD21 ASN 95 HD21 ASN 95 4.410 -3.316 10.448 343 HD22 ASN 95 HD22 ASN 95 4.661 -4.969 9.994 344 H PHE 96 H PHE 96 5.149 -0.922 5.727 345 HA PHE 96 HA PHE 96 6.805 -2.790 4.404 346 HB2 PHE 96 HB2 PHE 96 4.940 -1.991 3.198 347 HB3 PHE 96 HB3 PHE 96 5.383 -0.304 3.447 348 HD1 PHE 96 HD1 PHE 96 6.876 -3.410 1.991 349 HD2 PHE 96 HD2 PHE 96 6.289 0.796 1.636 350 HE1 PHE 96 HE1 PHE 96 8.072 -3.424 -0.156 351 HE2 PHE 96 HE2 PHE 96 7.486 0.780 -0.513 352 HZ PHE 96 HZ PHE 96 8.376 -1.333 -1.411 353 H LEU 97 H LEU 97 7.268 0.597 5.226 354 HA LEU 97 HA LEU 97 9.594 1.064 3.756 355 HB2 LEU 97 HB2 LEU 97 8.010 2.487 5.502 356 HB3 LEU 97 HB3 LEU 97 9.546 2.401 6.341 357 HG LEU 97 HG LEU 97 10.647 3.348 4.326 358 HD11 LEU 97 HD11 LEU 97 7.829 3.816 3.370 359 HD12 LEU 97 HD12 LEU 97 8.897 2.561 2.745 360 HD13 LEU 97 HD13 LEU 97 9.325 4.261 2.549 361 HD21 LEU 97 HD21 LEU 97 9.630 4.676 6.309 362 HD22 LEU 97 HD22 LEU 97 8.429 5.183 5.116 363 HD23 LEU 97 HD23 LEU 97 10.133 5.538 4.856 364 H GLN 98 H GLN 98 9.202 -0.080 7.097 365 HA GLN 98 HA GLN 98 11.976 -0.427 7.597 366 HB2 GLN 98 HB2 GLN 98 9.546 -1.692 8.863 367 HB3 GLN 98 HB3 GLN 98 11.186 -1.893 9.464 368 HG2 GLN 98 HG2 GLN 98 9.759 0.739 9.197 369 HG3 GLN 98 HG3 GLN 98 9.910 -0.196 10.681 370 HE21 GLN 98 HE21 GLN 98 11.874 -0.336 11.710 371 HE22 GLN 98 HE22 GLN 98 13.189 0.742 11.353 372 H LYS 99 H LYS 99 9.457 -2.464 6.290 373 HA LYS 99 HA LYS 99 10.764 -4.942 6.484 374 HB2 LYS 99 HB2 LYS 99 8.343 -4.653 6.206 375 HB3 LYS 99 HB3 LYS 99 8.595 -4.016 4.594 376 HG2 LYS 99 HG2 LYS 99 9.553 -6.759 5.272 377 HG3 LYS 99 HG3 LYS 99 7.849 -6.473 4.922 378 HD2 LYS 99 HD2 LYS 99 8.639 -5.329 2.790 379 HD3 LYS 99 HD3 LYS 99 10.223 -6.027 3.130 380 HE2 LYS 99 HE2 LYS 99 9.241 -8.270 3.131 381 HE3 LYS 99 HE3 LYS 99 7.656 -7.576 2.789 382 HZ1 LYS 99 HZ1 LYS 99 8.645 -8.395 0.774 383 HZ2 LYS 99 HZ2 LYS 99 10.046 -7.464 1.027 384 HZ3 LYS 99 HZ3 LYS 99 8.569 -6.705 0.705 385 H ASN 100 H ASN 100 10.622 -2.563 3.849 386 HA ASN 100 HA ASN 100 12.346 -4.288 2.231 387 HB2 ASN 100 HB2 ASN 100 10.258 -2.934 1.373 388 HB3 ASN 100 HB3 ASN 100 11.400 -1.598 1.316 389 HD21 ASN 100 HD21 ASN 100 10.557 -4.689 -0.022 390 HD22 ASN 100 HD22 ASN 100 11.577 -4.604 -1.415 391 H ASP 101 H ASP 101 12.706 -2.087 4.570 392 HA ASP 101 HA ASP 101 14.318 -0.709 5.334 393 HB2 ASP 101 HB2 ASP 101 15.804 -2.622 4.924 394 HB3 ASP 101 HB3 ASP 101 16.058 -2.068 3.276 395 H LEU 102 H LEU 102 12.692 0.698 4.007 396 HA LEU 102 HA LEU 102 14.119 2.219 1.947 397 HB2 LEU 102 HB2 LEU 102 11.258 2.373 2.893 398 HB3 LEU 102 HB3 LEU 102 11.947 3.409 1.673 399 HG LEU 102 HG LEU 102 11.191 1.975 0.172 400 HD11 LEU 102 HD11 LEU 102 12.401 -0.063 -0.272 401 HD12 LEU 102 HD12 LEU 102 13.105 -0.011 1.342 402 HD13 LEU 102 HD13 LEU 102 13.516 1.233 0.161 403 HD21 LEU 102 HD21 LEU 102 9.500 1.084 1.431 404 HD22 LEU 102 HD22 LEU 102 10.607 0.313 2.560 405 HD23 LEU 102 HD23 LEU 102 10.390 -0.359 0.943 406 H ASN 103 H ASN 103 13.780 4.603 2.068 407 HA ASN 103 HA ASN 103 14.697 5.591 4.607 408 HB2 ASN 103 HB2 ASN 103 15.334 6.385 2.209 409 HB3 ASN 103 HB3 ASN 103 13.836 7.296 2.294 410 HD21 ASN 103 HD21 ASN 103 17.069 7.016 3.458 411 HD22 ASN 103 HD22 ASN 103 17.108 8.523 4.315 412 HA PRO 104 HA PRO 104 10.773 6.603 6.414 413 HB2 PRO 104 HB2 PRO 104 12.260 8.928 7.517 414 HB3 PRO 104 HB3 PRO 104 11.319 7.693 8.360 415 HG2 PRO 104 HG2 PRO 104 13.974 7.643 8.445 416 HG3 PRO 104 HG3 PRO 104 13.047 6.138 8.280 417 HD2 PRO 104 HD2 PRO 104 14.533 7.687 6.195 418 HD3 PRO 104 HD3 PRO 104 14.431 5.931 6.427 419 H MET 105 H MET 105 12.581 8.715 4.398 420 HA MET 105 HA MET 105 10.868 10.926 4.187 421 HB2 MET 105 HB2 MET 105 13.150 10.837 3.268 422 HB3 MET 105 HB3 MET 105 12.621 9.659 2.081 423 HG2 MET 105 HG2 MET 105 11.064 11.351 1.167 424 HG3 MET 105 HG3 MET 105 11.757 12.529 2.281 425 HE1 MET 105 HE1 MET 105 14.840 11.575 2.258 426 HE2 MET 105 HE2 MET 105 14.344 13.267 2.213 427 HE3 MET 105 HE3 MET 105 15.496 12.654 1.024 428 H PHE 106 H PHE 106 10.580 7.688 3.020 429 HA PHE 106 HA PHE 106 8.774 8.363 0.860 430 HB2 PHE 106 HB2 PHE 106 9.809 5.752 1.943 431 HB3 PHE 106 HB3 PHE 106 8.641 5.841 0.634 432 HD1 PHE 106 HD1 PHE 106 9.378 7.519 -1.303 433 HD2 PHE 106 HD2 PHE 106 12.033 5.528 1.375 434 HE1 PHE 106 HE1 PHE 106 11.211 7.794 -2.919 435 HE2 PHE 106 HE2 PHE 106 13.867 5.808 -0.245 436 HZ PHE 106 HZ PHE 106 13.457 6.940 -2.393 437 H LEU 107 H LEU 107 8.563 7.677 4.163 438 HA LEU 107 HA LEU 107 6.320 6.074 4.414 439 HB2 LEU 107 HB2 LEU 107 7.733 6.497 6.275 440 HB3 LEU 107 HB3 LEU 107 7.470 8.226 6.182 441 HG LEU 107 HG LEU 107 5.184 7.940 6.990 442 HD11 LEU 107 HD11 LEU 107 5.823 5.019 7.295 443 HD12 LEU 107 HD12 LEU 107 4.902 5.672 5.946 444 HD13 LEU 107 HD13 LEU 107 4.284 5.829 7.589 445 HD21 LEU 107 HD21 LEU 107 7.089 8.143 8.575 446 HD22 LEU 107 HD22 LEU 107 7.125 6.376 8.680 447 HD23 LEU 107 HD23 LEU 107 5.705 7.270 9.236 448 H ASP 108 H ASP 108 6.424 9.651 4.314 449 HA ASP 108 HA ASP 108 3.668 10.014 4.694 450 HB2 ASP 108 HB2 ASP 108 5.288 11.850 4.911 451 HB3 ASP 108 HB3 ASP 108 5.606 11.788 3.178 452 H GLN 109 H GLN 109 5.546 9.550 1.734 453 HA GLN 109 HA GLN 109 3.525 10.153 -0.107 454 HB2 GLN 109 HB2 GLN 109 5.712 10.105 -0.951 455 HB3 GLN 109 HB3 GLN 109 6.058 8.544 -0.223 456 HG2 GLN 109 HG2 GLN 109 4.626 7.447 -1.812 457 HG3 GLN 109 HG3 GLN 109 4.172 8.995 -2.522 458 HE21 GLN 109 HE21 GLN 109 5.406 6.704 -3.802 459 HE22 GLN 109 HE22 GLN 109 6.916 7.253 -4.438 460 H VAL 110 H VAL 110 4.644 6.994 1.099 461 HA VAL 110 HA VAL 110 2.677 5.494 -0.267 462 HB VAL 110 HB VAL 110 3.278 3.769 1.647 463 HG11 VAL 110 HG11 VAL 110 4.939 2.926 0.265 464 HG12 VAL 110 HG12 VAL 110 5.521 4.532 -0.136 465 HG13 VAL 110 HG13 VAL 110 4.017 3.952 -0.836 466 HG21 VAL 110 HG21 VAL 110 5.264 4.115 2.794 467 HG22 VAL 110 HG22 VAL 110 4.421 5.656 2.941 468 HG23 VAL 110 HG23 VAL 110 5.723 5.473 1.771 469 H ALA 111 H ALA 111 2.810 6.830 2.999 470 HA ALA 111 HA ALA 111 0.437 5.635 3.962 471 HB1 ALA 111 HB1 ALA 111 1.697 8.226 4.844 472 HB2 ALA 111 HB2 ALA 111 2.153 6.618 5.416 473 HB3 ALA 111 HB3 ALA 111 0.541 7.256 5.755 474 H LYS 112 H LYS 112 1.010 8.726 2.317 475 HA LYS 112 HA LYS 112 -1.605 9.708 2.624 476 HB2 LYS 112 HB2 LYS 112 0.791 10.426 1.120 477 HB3 LYS 112 HB3 LYS 112 -0.705 10.835 0.282 478 HG2 LYS 112 HG2 LYS 112 0.112 12.669 1.692 479 HG3 LYS 112 HG3 LYS 112 -1.474 12.070 2.178 480 HD2 LYS 112 HD2 LYS 112 -0.399 10.714 3.934 481 HD3 LYS 112 HD3 LYS 112 1.156 11.422 3.491 482 HE2 LYS 112 HE2 LYS 112 -1.247 12.998 4.405 483 HE3 LYS 112 HE3 LYS 112 0.072 12.490 5.460 484 HZ1 LYS 112 HZ1 LYS 112 1.614 13.775 4.134 485 HZ2 LYS 112 HZ2 LYS 112 0.356 14.770 4.694 486 HZ3 LYS 112 HZ3 LYS 112 0.369 14.247 3.083 487 H PHE 113 H PHE 113 -0.117 7.766 0.068 488 HA PHE 113 HA PHE 113 -2.378 7.674 -1.614 489 HB2 PHE 113 HB2 PHE 113 0.019 6.842 -2.110 490 HB3 PHE 113 HB3 PHE 113 -0.480 5.354 -1.309 491 HD1 PHE 113 HD1 PHE 113 -2.489 4.122 -2.212 492 HD2 PHE 113 HD2 PHE 113 -0.564 7.257 -4.338 493 HE1 PHE 113 HE1 PHE 113 -3.553 3.352 -4.293 494 HE2 PHE 113 HE2 PHE 113 -1.625 6.501 -6.426 495 HZ PHE 113 HZ PHE 113 -3.128 4.546 -6.403 496 H ILE 114 H ILE 114 -1.328 5.579 1.041 497 HA ILE 114 HA ILE 114 -3.356 3.731 1.167 498 HB ILE 114 HB ILE 114 -1.842 5.146 3.329 499 HG12 ILE 114 HG12 ILE 114 -1.696 2.229 2.705 500 HG13 ILE 114 HG13 ILE 114 -0.901 3.374 1.626 501 HG21 ILE 114 HG21 ILE 114 -4.268 4.095 3.839 502 HG22 ILE 114 HG22 ILE 114 -2.946 4.129 4.992 503 HG23 ILE 114 HG23 ILE 114 -3.251 2.669 4.055 504 HD11 ILE 114 HD11 ILE 114 0.456 2.322 3.527 505 HD12 ILE 114 HD12 ILE 114 -0.423 3.451 4.566 506 HD13 ILE 114 HD13 ILE 114 0.579 4.060 3.255 507 H ILE 115 H ILE 115 -3.285 6.880 2.812 508 HA ILE 115 HA ILE 115 -5.876 6.888 3.804 509 HB ILE 115 HB ILE 115 -4.072 9.144 2.975 510 HG12 ILE 115 HG12 ILE 115 -5.013 8.337 5.715 511 HG13 ILE 115 HG13 ILE 115 -3.583 7.631 4.972 512 HG21 ILE 115 HG21 ILE 115 -6.218 10.089 2.723 513 HG22 ILE 115 HG22 ILE 115 -5.681 10.569 4.328 514 HG23 ILE 115 HG23 ILE 115 -6.839 9.259 4.147 515 HD11 ILE 115 HD11 ILE 115 -3.876 10.595 5.244 516 HD12 ILE 115 HD12 ILE 115 -2.416 9.618 5.065 517 HD13 ILE 115 HD13 ILE 115 -3.304 9.601 6.585 518 H ASP 116 H ASP 116 -4.651 8.111 0.715 519 HA ASP 116 HA ASP 116 -7.031 9.385 -0.067 520 HB2 ASP 116 HB2 ASP 116 -4.680 9.760 -0.960 521 HB3 ASP 116 HB3 ASP 116 -4.929 8.325 -1.949 522 H ASN 117 H ASN 117 -6.119 6.056 -0.168 523 HA ASN 117 HA ASN 117 -8.037 5.283 -2.146 524 HB2 ASN 117 HB2 ASN 117 -6.071 3.880 -1.546 525 HB3 ASN 117 HB3 ASN 117 -6.799 3.577 0.030 526 HD21 ASN 117 HD21 ASN 117 -8.474 2.124 0.202 527 HD22 ASN 117 HD22 ASN 117 -9.017 1.139 -1.117 528 H THR 118 H THR 118 -8.054 5.484 1.394 529 HA THR 118 HA THR 118 -10.934 4.896 1.377 530 HB THR 118 HB THR 118 -10.554 4.931 3.952 531 HG1 THR 118 HG1 THR 118 -8.507 5.522 4.283 532 HG21 THR 118 HG21 THR 118 -9.478 2.744 2.183 533 HG22 THR 118 HG22 THR 118 -11.147 2.935 2.723 534 HG23 THR 118 HG23 THR 118 -9.879 2.551 3.890 535 H LYS 119 H LYS 119 -9.591 7.388 0.556 536 HA LYS 119 HA LYS 119 -11.126 9.233 2.259 537 HB2 LYS 119 HB2 LYS 119 -8.679 9.579 2.556 538 HB3 LYS 119 HB3 LYS 119 -8.533 9.826 0.818 539 HG2 LYS 119 HG2 LYS 119 -9.936 11.798 0.953 540 HG3 LYS 119 HG3 LYS 119 -10.154 11.538 2.685 541 HD2 LYS 119 HD2 LYS 119 -8.447 13.216 2.295 542 HD3 LYS 119 HD3 LYS 119 -7.758 11.760 3.016 543 HE2 LYS 119 HE2 LYS 119 -6.323 12.594 1.239 544 HE3 LYS 119 HE3 LYS 119 -6.997 11.023 0.813 545 HZ1 LYS 119 HZ1 LYS 119 -7.221 12.295 -1.103 546 HZ2 LYS 119 HZ2 LYS 119 -7.701 13.686 -0.255 547 HZ3 LYS 119 HZ3 LYS 119 -8.767 12.377 -0.408 548 H GLY 120 H GLY 120 -11.968 11.111 1.010 549 HA2 GLY 120 HA2 GLY 120 -12.971 10.433 -1.550 550 HA3 GLY 120 HA3 GLY 120 -12.976 12.046 -0.839 551 H GLN 121 H GLN 121 -11.968 10.415 -3.441 552 HA GLN 121 HA GLN 121 -9.342 11.279 -3.862 553 HB2 GLN 121 HB2 GLN 121 -10.608 9.651 -5.291 554 HB3 GLN 121 HB3 GLN 121 -11.510 11.006 -5.957 555 HG2 GLN 121 HG2 GLN 121 -9.454 11.969 -6.817 556 HG3 GLN 121 HG3 GLN 121 -8.539 10.639 -6.111 557 HE21 GLN 121 HE21 GLN 121 -8.808 11.527 -8.893 558 HE22 GLN 121 HE22 GLN 121 -9.362 10.145 -9.776 559 H MET 122 H MET 122 -8.525 13.238 -4.109 560 HA MET 122 HA MET 122 -8.317 15.482 -4.283 561 HB2 MET 122 HB2 MET 122 -9.330 15.363 -6.473 562 HB3 MET 122 HB3 MET 122 -10.938 15.266 -5.770 563 HG2 MET 122 HG2 MET 122 -10.657 17.541 -4.873 564 HG3 MET 122 HG3 MET 122 -9.078 17.630 -5.651 565 HE1 MET 122 HE1 MET 122 -11.510 19.728 -6.037 566 HE2 MET 122 HE2 MET 122 -11.371 20.038 -7.768 567 HE3 MET 122 HE3 MET 122 -9.919 19.920 -6.774 568 H LEU 123 H LEU 123 -8.347 15.980 -2.197 569 HA LEU 123 HA LEU 123 -8.993 16.945 -0.264 570 HB2 LEU 123 HB2 LEU 123 -10.192 18.575 -1.606 571 HB3 LEU 123 HB3 LEU 123 -11.572 17.500 -1.720 572 HG LEU 123 HG LEU 123 -11.867 17.676 0.743 573 HD11 LEU 123 HD11 LEU 123 -9.723 19.781 0.513 574 HD12 LEU 123 HD12 LEU 123 -9.590 18.240 1.362 575 HD13 LEU 123 HD13 LEU 123 -10.713 19.470 1.939 576 HD21 LEU 123 HD21 LEU 123 -13.203 19.052 -0.717 577 HD22 LEU 123 HD22 LEU 123 -11.915 20.250 -0.824 578 HD23 LEU 123 HD23 LEU 123 -12.746 19.981 0.711 579 H GLY 124 H GLY 124 -12.007 15.383 -1.418 580 HA2 GLY 124 HA2 GLY 124 -12.166 13.186 0.114 581 HA3 GLY 124 HA3 GLY 124 -12.521 14.463 1.272 582 H LEU 125 H LEU 125 -14.492 12.767 1.022 583 HA LEU 125 HA LEU 125 -16.347 13.876 -0.962 584 HB2 LEU 125 HB2 LEU 125 -16.622 11.457 0.824 585 HB3 LEU 125 HB3 LEU 125 -17.827 12.002 -0.326 586 HG LEU 125 HG LEU 125 -15.088 10.905 -0.946 587 HD11 LEU 125 HD11 LEU 125 -16.406 9.193 -2.138 588 HD12 LEU 125 HD12 LEU 125 -17.880 9.940 -1.520 589 HD13 LEU 125 HD13 LEU 125 -16.723 9.217 -0.402 590 HD21 LEU 125 HD21 LEU 125 -15.630 11.222 -3.294 591 HD22 LEU 125 HD22 LEU 125 -15.620 12.773 -2.456 592 HD23 LEU 125 HD23 LEU 125 -17.152 11.998 -2.858 593 H GLY 126 H GLY 126 -18.641 14.140 -0.152 594 HA2 GLY 126 HA2 GLY 126 -19.933 14.536 1.961 595 HA3 GLY 126 HA3 GLY 126 -18.543 15.479 2.478 596 H ASN 127 H ASN 127 -19.279 17.494 2.590 597 HA ASN 127 HA ASN 127 -19.931 19.563 1.929 598 HB2 ASN 127 HB2 ASN 127 -18.619 19.299 -0.096 599 HB3 ASN 127 HB3 ASN 127 -19.908 18.372 -0.854 600 HD21 ASN 127 HD21 ASN 127 -18.916 21.531 0.252 601 HD22 ASN 127 HD22 ASN 127 -20.049 22.431 -0.704 602 HA PRO 128 HA PRO 128 -24.277 18.872 2.478 603 HB2 PRO 128 HB2 PRO 128 -24.388 21.830 2.371 604 HB3 PRO 128 HB3 PRO 128 -24.915 20.729 3.647 605 HG2 PRO 128 HG2 PRO 128 -22.714 22.211 3.939 606 HG3 PRO 128 HG3 PRO 128 -22.789 20.549 4.553 607 HD2 PRO 128 HD2 PRO 128 -21.484 21.595 2.069 608 HD3 PRO 128 HD3 PRO 128 -20.895 20.385 3.228 Start of MODEL 8 1 H1 ALA 49 H1 ALA 49 -24.695 -14.848 -9.019 2 H2 ALA 49 H2 ALA 49 -23.049 -15.244 -9.003 3 H3 ALA 49 H3 ALA 49 -23.637 -14.122 -10.129 4 HA ALA 49 HA ALA 49 -24.106 -12.542 -8.445 5 HB1 ALA 49 HB1 ALA 49 -23.648 -13.006 -6.089 6 HB2 ALA 49 HB2 ALA 49 -23.210 -14.663 -6.501 7 HB3 ALA 49 HB3 ALA 49 -24.866 -14.104 -6.739 8 H ASN 50 H ASN 50 -22.200 -12.591 -10.228 9 HA ASN 50 HA ASN 50 -19.580 -12.670 -8.971 10 HB2 ASN 50 HB2 ASN 50 -19.841 -13.516 -11.269 11 HB3 ASN 50 HB3 ASN 50 -20.380 -11.923 -11.795 12 HD21 ASN 50 HD21 ASN 50 -17.686 -13.841 -10.750 13 HD22 ASN 50 HD22 ASN 50 -16.441 -12.714 -11.199 14 H GLN 51 H GLN 51 -21.135 -10.220 -11.055 15 HA GLN 51 HA GLN 51 -21.164 -7.945 -10.974 16 HB2 GLN 51 HB2 GLN 51 -21.151 -8.444 -7.989 17 HB3 GLN 51 HB3 GLN 51 -21.597 -6.933 -8.767 18 HG2 GLN 51 HG2 GLN 51 -23.497 -7.984 -9.816 19 HG3 GLN 51 HG3 GLN 51 -23.021 -9.553 -9.171 20 HE21 GLN 51 HE21 GLN 51 -25.497 -8.034 -8.809 21 HE22 GLN 51 HE22 GLN 51 -25.676 -7.832 -7.098 22 H GLN 52 H GLN 52 -18.683 -8.971 -11.426 23 HA GLN 52 HA GLN 52 -16.463 -8.552 -11.415 24 HB2 GLN 52 HB2 GLN 52 -17.305 -6.244 -11.936 25 HB3 GLN 52 HB3 GLN 52 -17.169 -5.868 -10.222 26 HG2 GLN 52 HG2 GLN 52 -14.758 -6.410 -10.344 27 HG3 GLN 52 HG3 GLN 52 -14.935 -6.642 -12.082 28 HE21 GLN 52 HE21 GLN 52 -13.274 -4.765 -10.664 29 HE22 GLN 52 HE22 GLN 52 -13.744 -3.191 -11.202 30 H THR 53 H THR 53 -16.354 -10.215 -9.762 31 HA THR 53 HA THR 53 -16.170 -9.439 -7.003 32 HB THR 53 HB THR 53 -15.259 -12.067 -8.191 33 HG1 THR 53 HG1 THR 53 -17.810 -11.013 -7.923 34 HG21 THR 53 HG21 THR 53 -16.292 -11.307 -5.453 35 HG22 THR 53 HG22 THR 53 -14.620 -11.683 -5.865 36 HG23 THR 53 HG23 THR 53 -15.853 -12.940 -5.966 37 H SER 54 H SER 54 -14.519 -7.778 -7.402 38 HA SER 54 HA SER 54 -11.812 -8.722 -7.854 39 HB2 SER 54 HB2 SER 54 -12.644 -6.470 -8.664 40 HB3 SER 54 HB3 SER 54 -12.715 -5.963 -6.977 41 HG SER 54 HG SER 54 -10.576 -5.907 -6.867 42 H GLY 55 H GLY 55 -10.595 -9.519 -6.255 43 HA2 GLY 55 HA2 GLY 55 -11.577 -9.134 -3.511 44 HA3 GLY 55 HA3 GLY 55 -10.631 -10.503 -4.067 45 H LYS 56 H LYS 56 -8.889 -10.471 -2.850 46 HA LYS 56 HA LYS 56 -7.676 -7.956 -2.073 47 HB2 LYS 56 HB2 LYS 56 -7.484 -10.787 -1.146 48 HB3 LYS 56 HB3 LYS 56 -6.162 -9.688 -0.785 49 HG2 LYS 56 HG2 LYS 56 -7.693 -9.751 1.066 50 HG3 LYS 56 HG3 LYS 56 -7.743 -8.166 0.305 51 HD2 LYS 56 HD2 LYS 56 -9.767 -8.873 -0.931 52 HD3 LYS 56 HD3 LYS 56 -9.749 -10.383 -0.017 53 HE2 LYS 56 HE2 LYS 56 -9.942 -7.619 1.158 54 HE3 LYS 56 HE3 LYS 56 -11.290 -8.741 0.958 55 HZ1 LYS 56 HZ1 LYS 56 -10.123 -10.289 2.440 56 HZ2 LYS 56 HZ2 LYS 56 -10.469 -8.816 3.206 57 HZ3 LYS 56 HZ3 LYS 56 -8.893 -9.141 2.673 58 H VAL 57 H VAL 57 -5.287 -7.845 -2.014 59 HA VAL 57 HA VAL 57 -4.275 -8.442 -4.690 60 HB VAL 57 HB VAL 57 -2.880 -6.849 -2.549 61 HG11 VAL 57 HG11 VAL 57 -2.667 -7.015 -5.537 62 HG12 VAL 57 HG12 VAL 57 -1.414 -7.288 -4.318 63 HG13 VAL 57 HG13 VAL 57 -2.009 -5.657 -4.623 64 HG21 VAL 57 HG21 VAL 57 -3.985 -4.893 -3.099 65 HG22 VAL 57 HG22 VAL 57 -5.283 -6.088 -3.057 66 HG23 VAL 57 HG23 VAL 57 -4.627 -5.555 -4.606 67 H LEU 58 H LEU 58 -2.964 -10.113 -5.017 68 HA LEU 58 HA LEU 58 -1.775 -11.447 -2.708 69 HB2 LEU 58 HB2 LEU 58 -3.006 -12.774 -4.378 70 HB3 LEU 58 HB3 LEU 58 -1.869 -12.277 -5.618 71 HG LEU 58 HG LEU 58 -0.072 -13.396 -4.195 72 HD11 LEU 58 HD11 LEU 58 -2.262 -15.002 -2.991 73 HD12 LEU 58 HD12 LEU 58 -1.862 -13.451 -2.258 74 HD13 LEU 58 HD13 LEU 58 -0.623 -14.701 -2.403 75 HD21 LEU 58 HD21 LEU 58 -0.940 -14.375 -6.255 76 HD22 LEU 58 HD22 LEU 58 -2.277 -15.095 -5.357 77 HD23 LEU 58 HD23 LEU 58 -0.623 -15.619 -5.047 78 H TYR 59 H TYR 59 0.126 -10.701 -2.085 79 HA TYR 59 HA TYR 59 2.076 -9.949 -4.157 80 HB2 TYR 59 HB2 TYR 59 2.835 -8.155 -2.900 81 HB3 TYR 59 HB3 TYR 59 1.118 -8.130 -2.530 82 HD1 TYR 59 HD1 TYR 59 0.406 -9.412 -0.361 83 HD2 TYR 59 HD2 TYR 59 4.366 -8.123 -1.193 84 HE1 TYR 59 HE1 TYR 59 0.956 -9.571 2.034 85 HE2 TYR 59 HE2 TYR 59 4.931 -8.272 1.196 86 HH TYR 59 HH TYR 59 3.741 -8.209 3.376 87 H GLU 60 H GLU 60 3.606 -11.391 -4.334 88 HA GLU 60 HA GLU 60 5.170 -12.954 -3.895 89 HB2 GLU 60 HB2 GLU 60 5.284 -11.742 -1.155 90 HB3 GLU 60 HB3 GLU 60 6.562 -12.625 -1.982 91 HG2 GLU 60 HG2 GLU 60 5.398 -9.998 -2.816 92 HG3 GLU 60 HG3 GLU 60 6.963 -10.241 -2.047 93 H GLY 61 H GLY 61 2.327 -13.455 -3.098 94 HA2 GLY 61 HA2 GLY 61 1.545 -15.698 -2.750 95 HA3 GLY 61 HA3 GLY 61 2.901 -15.965 -1.672 96 H LYS 62 H LYS 62 1.706 -12.985 -0.905 97 HA LYS 62 HA LYS 62 -0.150 -14.114 1.104 98 HB2 LYS 62 HB2 LYS 62 2.054 -12.974 1.868 99 HB3 LYS 62 HB3 LYS 62 1.270 -11.483 1.374 100 HG2 LYS 62 HG2 LYS 62 -0.576 -11.962 2.936 101 HG3 LYS 62 HG3 LYS 62 0.309 -13.387 3.493 102 HD2 LYS 62 HD2 LYS 62 1.268 -10.529 3.640 103 HD3 LYS 62 HD3 LYS 62 0.665 -11.487 4.992 104 HE2 LYS 62 HE2 LYS 62 3.063 -12.238 3.330 105 HE3 LYS 62 HE3 LYS 62 3.161 -11.330 4.835 106 HZ1 LYS 62 HZ1 LYS 62 3.539 -13.734 5.112 107 HZ2 LYS 62 HZ2 LYS 62 1.957 -14.040 4.589 108 HZ3 LYS 62 HZ3 LYS 62 2.226 -13.168 6.018 109 H GLU 63 H GLU 63 -2.057 -12.908 1.541 110 HA GLU 63 HA GLU 63 -2.758 -11.046 -0.627 111 HB2 GLU 63 HB2 GLU 63 -4.459 -12.889 1.028 112 HB3 GLU 63 HB3 GLU 63 -5.158 -11.532 0.161 113 HG2 GLU 63 HG2 GLU 63 -4.062 -12.500 -1.918 114 HG3 GLU 63 HG3 GLU 63 -3.791 -13.954 -0.956 115 H PHE 64 H PHE 64 -3.311 -9.039 -0.222 116 HA PHE 64 HA PHE 64 -4.063 -8.271 2.508 117 HB2 PHE 64 HB2 PHE 64 -1.816 -7.292 0.926 118 HB3 PHE 64 HB3 PHE 64 -2.867 -6.001 1.473 119 HD1 PHE 64 HD1 PHE 64 -3.267 -5.695 3.904 120 HD2 PHE 64 HD2 PHE 64 -0.415 -8.473 2.416 121 HE1 PHE 64 HE1 PHE 64 -2.218 -5.804 6.127 122 HE2 PHE 64 HE2 PHE 64 0.637 -8.595 4.637 123 HZ PHE 64 HZ PHE 64 -0.264 -7.256 6.499 124 H ASP 65 H ASP 65 -5.121 -6.060 2.472 125 HA ASP 65 HA ASP 65 -7.415 -6.224 0.870 126 HB2 ASP 65 HB2 ASP 65 -6.273 -3.936 2.479 127 HB3 ASP 65 HB3 ASP 65 -7.780 -3.790 1.590 128 H TYR 66 H TYR 66 -4.973 -3.639 0.754 129 HA TYR 66 HA TYR 66 -4.952 -3.831 -2.153 130 HB2 TYR 66 HB2 TYR 66 -5.812 -1.407 -0.602 131 HB3 TYR 66 HB3 TYR 66 -5.079 -1.242 -2.194 132 HD1 TYR 66 HD1 TYR 66 -6.201 -2.239 -4.176 133 HD2 TYR 66 HD2 TYR 66 -8.065 -2.159 -0.351 134 HE1 TYR 66 HE1 TYR 66 -8.369 -2.721 -5.229 135 HE2 TYR 66 HE2 TYR 66 -10.239 -2.637 -1.398 136 HH TYR 66 HH TYR 66 -11.328 -2.442 -3.561 137 H VAL 67 H VAL 67 -2.851 -4.373 -2.349 138 HA VAL 67 HA VAL 67 -0.851 -2.813 -0.922 139 HB VAL 67 HB VAL 67 0.665 -4.429 -1.307 140 HG11 VAL 67 HG11 VAL 67 -1.340 -5.525 -0.372 141 HG12 VAL 67 HG12 VAL 67 -0.269 -6.621 -1.233 142 HG13 VAL 67 HG13 VAL 67 -1.760 -6.069 -1.998 143 HG21 VAL 67 HG21 VAL 67 -0.445 -5.488 -3.863 144 HG22 VAL 67 HG22 VAL 67 1.236 -5.431 -3.301 145 HG23 VAL 67 HG23 VAL 67 0.434 -3.963 -3.871 146 H PHE 68 H PHE 68 0.457 -1.344 -1.851 147 HA PHE 68 HA PHE 68 -0.379 -0.340 -4.446 148 HB2 PHE 68 HB2 PHE 68 -0.106 1.246 -2.595 149 HB3 PHE 68 HB3 PHE 68 1.570 0.754 -2.407 150 HD1 PHE 68 HD1 PHE 68 -0.453 1.658 -5.424 151 HD2 PHE 68 HD2 PHE 68 2.925 2.474 -2.980 152 HE1 PHE 68 HE1 PHE 68 0.266 3.397 -7.012 153 HE2 PHE 68 HE2 PHE 68 3.654 4.220 -4.558 154 HZ PHE 68 HZ PHE 68 2.325 4.679 -6.579 155 H SER 69 H SER 69 1.001 -0.099 -6.209 156 HA SER 69 HA SER 69 3.345 -1.869 -6.132 157 HB2 SER 69 HB2 SER 69 1.902 -0.851 -8.574 158 HB3 SER 69 HB3 SER 69 3.018 -2.208 -8.479 159 HG SER 69 HG SER 69 0.406 -2.008 -7.379 160 H ILE 70 H ILE 70 5.250 -0.881 -6.044 161 HA ILE 70 HA ILE 70 5.371 1.942 -6.869 162 HB ILE 70 HB ILE 70 7.137 0.509 -4.879 163 HG12 ILE 70 HG12 ILE 70 4.638 2.158 -4.515 164 HG13 ILE 70 HG13 ILE 70 4.977 0.538 -3.907 165 HG21 ILE 70 HG21 ILE 70 8.335 2.337 -5.709 166 HG22 ILE 70 HG22 ILE 70 7.635 2.914 -4.199 167 HG23 ILE 70 HG23 ILE 70 6.911 3.376 -5.739 168 HD11 ILE 70 HD11 ILE 70 6.452 1.390 -2.259 169 HD12 ILE 70 HD12 ILE 70 4.984 2.358 -2.200 170 HD13 ILE 70 HD13 ILE 70 6.436 2.996 -2.979 171 H ASP 71 H ASP 71 6.388 2.255 -8.691 172 HA ASP 71 HA ASP 71 8.718 0.594 -9.367 173 HB2 ASP 71 HB2 ASP 71 6.885 0.472 -11.019 174 HB3 ASP 71 HB3 ASP 71 6.936 2.221 -11.203 175 H VAL 72 H VAL 72 10.580 1.586 -8.961 176 HA VAL 72 HA VAL 72 10.790 4.459 -9.514 177 HB VAL 72 HB VAL 72 10.608 4.181 -7.082 178 HG11 VAL 72 HG11 VAL 72 12.475 3.085 -5.849 179 HG12 VAL 72 HG12 VAL 72 13.042 2.446 -7.393 180 HG13 VAL 72 HG13 VAL 72 11.463 1.971 -6.770 181 HG21 VAL 72 HG21 VAL 72 12.640 5.410 -6.452 182 HG22 VAL 72 HG22 VAL 72 11.930 6.023 -7.946 183 HG23 VAL 72 HG23 VAL 72 13.362 4.995 -8.008 184 H ASN 73 H ASN 73 12.433 1.372 -9.130 185 HA ASN 73 HA ASN 73 14.542 2.335 -10.937 186 HB2 ASN 73 HB2 ASN 73 15.409 1.497 -8.806 187 HB3 ASN 73 HB3 ASN 73 14.532 -0.014 -9.020 188 HD21 ASN 73 HD21 ASN 73 16.422 -1.211 -8.885 189 HD22 ASN 73 HD22 ASN 73 17.568 -1.275 -10.182 190 H GLU 74 H GLU 74 14.058 1.845 -12.959 191 HA GLU 74 HA GLU 74 12.046 -0.083 -13.583 192 HB2 GLU 74 HB2 GLU 74 12.384 2.083 -14.797 193 HB3 GLU 74 HB3 GLU 74 13.858 1.412 -15.483 194 HG2 GLU 74 HG2 GLU 74 12.544 -0.360 -16.547 195 HG3 GLU 74 HG3 GLU 74 11.072 0.349 -15.880 196 H GLY 75 H GLY 75 12.397 -2.180 -13.653 197 HA2 GLY 75 HA2 GLY 75 13.359 -4.103 -14.663 198 HA3 GLY 75 HA3 GLY 75 14.812 -3.174 -14.999 199 H GLY 76 H GLY 76 14.135 -2.289 -12.015 200 HA2 GLY 76 HA2 GLY 76 15.886 -4.331 -10.841 201 HA3 GLY 76 HA3 GLY 76 15.647 -2.703 -10.219 202 HA PRO 77 HA PRO 77 13.237 -5.713 -7.588 203 HB2 PRO 77 HB2 PRO 77 13.591 -4.119 -5.349 204 HB3 PRO 77 HB3 PRO 77 14.611 -5.494 -5.788 205 HG2 PRO 77 HG2 PRO 77 15.062 -2.576 -6.246 206 HG3 PRO 77 HG3 PRO 77 16.222 -3.834 -5.781 207 HD2 PRO 77 HD2 PRO 77 16.095 -2.906 -8.290 208 HD3 PRO 77 HD3 PRO 77 16.425 -4.619 -7.955 209 H SER 78 H SER 78 11.124 -5.539 -7.372 210 HA SER 78 HA SER 78 9.887 -2.917 -7.750 211 HB2 SER 78 HB2 SER 78 8.634 -5.673 -7.805 212 HB3 SER 78 HB3 SER 78 7.865 -4.162 -8.297 213 HG SER 78 HG SER 78 10.025 -4.205 -9.688 214 H TYR 79 H TYR 79 8.394 -2.069 -6.305 215 HA TYR 79 HA TYR 79 8.536 -3.257 -3.618 216 HB2 TYR 79 HB2 TYR 79 8.165 -0.371 -4.452 217 HB3 TYR 79 HB3 TYR 79 8.194 -0.945 -2.791 218 HD1 TYR 79 HD1 TYR 79 10.415 -2.702 -2.586 219 HD2 TYR 79 HD2 TYR 79 10.072 0.823 -4.940 220 HE1 TYR 79 HE1 TYR 79 12.860 -2.443 -2.544 221 HE2 TYR 79 HE2 TYR 79 12.515 1.086 -4.907 222 HH TYR 79 HH TYR 79 14.422 0.407 -3.525 223 H LYS 80 H LYS 80 6.652 -3.924 -2.721 224 HA LYS 80 HA LYS 80 4.178 -2.717 -3.776 225 HB2 LYS 80 HB2 LYS 80 4.395 -5.496 -2.589 226 HB3 LYS 80 HB3 LYS 80 2.974 -4.772 -3.325 227 HG2 LYS 80 HG2 LYS 80 5.511 -5.562 -4.714 228 HG3 LYS 80 HG3 LYS 80 3.957 -6.369 -4.827 229 HD2 LYS 80 HD2 LYS 80 4.092 -3.489 -5.537 230 HD3 LYS 80 HD3 LYS 80 4.789 -4.647 -6.669 231 HE2 LYS 80 HE2 LYS 80 1.951 -4.525 -5.667 232 HE3 LYS 80 HE3 LYS 80 2.527 -4.235 -7.302 233 HZ1 LYS 80 HZ1 LYS 80 2.919 -6.855 -5.985 234 HZ2 LYS 80 HZ2 LYS 80 2.991 -6.479 -7.634 235 HZ3 LYS 80 HZ3 LYS 80 1.499 -6.491 -6.835 236 H LEU 81 H LEU 81 2.756 -1.923 -2.305 237 HA LEU 81 HA LEU 81 3.636 -2.015 0.515 238 HB2 LEU 81 HB2 LEU 81 3.473 0.176 -0.964 239 HB3 LEU 81 HB3 LEU 81 1.787 0.078 -0.533 240 HG LEU 81 HG LEU 81 4.089 0.911 1.065 241 HD11 LEU 81 HD11 LEU 81 2.450 2.314 2.087 242 HD12 LEU 81 HD12 LEU 81 1.148 1.371 1.371 243 HD13 LEU 81 HD13 LEU 81 2.205 2.332 0.339 244 HD21 LEU 81 HD21 LEU 81 3.142 0.172 3.199 245 HD22 LEU 81 HD22 LEU 81 3.628 -1.201 2.202 246 HD23 LEU 81 HD23 LEU 81 1.923 -0.764 2.334 247 HA PRO 82 HA PRO 82 -0.387 -4.294 0.515 248 HB2 PRO 82 HB2 PRO 82 0.910 -5.319 2.967 249 HB3 PRO 82 HB3 PRO 82 0.092 -6.201 1.674 250 HG2 PRO 82 HG2 PRO 82 2.721 -6.277 1.865 251 HG3 PRO 82 HG3 PRO 82 1.945 -6.131 0.276 252 HD2 PRO 82 HD2 PRO 82 3.226 -3.997 1.944 253 HD3 PRO 82 HD3 PRO 82 3.364 -4.286 0.203 254 H TYR 83 H TYR 83 -1.860 -2.834 1.138 255 HA TYR 83 HA TYR 83 -1.760 -1.857 3.901 256 HB2 TYR 83 HB2 TYR 83 -1.743 0.011 2.431 257 HB3 TYR 83 HB3 TYR 83 -2.984 -0.695 1.397 258 HD1 TYR 83 HD1 TYR 83 -2.637 0.139 5.026 259 HD2 TYR 83 HD2 TYR 83 -5.021 0.359 1.515 260 HE1 TYR 83 HE1 TYR 83 -4.363 1.366 6.284 261 HE2 TYR 83 HE2 TYR 83 -6.755 1.585 2.755 262 HH TYR 83 HH TYR 83 -7.501 1.836 5.124 263 H ASN 84 H ASN 84 -3.109 -2.895 5.229 264 HA ASN 84 HA ASN 84 -5.644 -3.880 4.203 265 HB2 ASN 84 HB2 ASN 84 -5.884 -4.908 6.401 266 HB3 ASN 84 HB3 ASN 84 -4.347 -5.357 5.700 267 HD21 ASN 84 HD21 ASN 84 -5.944 -3.960 8.349 268 HD22 ASN 84 HD22 ASN 84 -4.541 -3.491 9.254 269 H THR 85 H THR 85 -7.555 -2.940 4.725 270 HA THR 85 HA THR 85 -7.386 -0.138 4.959 271 HB THR 85 HB THR 85 -9.893 -0.230 4.920 272 HG1 THR 85 HG1 THR 85 -9.497 -3.041 4.577 273 HG21 THR 85 HG21 THR 85 -8.189 -0.428 2.940 274 HG22 THR 85 HG22 THR 85 -9.914 -0.672 2.657 275 HG23 THR 85 HG23 THR 85 -8.838 -2.064 2.811 276 H SER 86 H SER 86 -7.282 -2.357 7.384 277 HA SER 86 HA SER 86 -8.789 -0.811 9.341 278 HB2 SER 86 HB2 SER 86 -7.208 -3.189 10.151 279 HB3 SER 86 HB3 SER 86 -8.864 -2.739 10.568 280 HG SER 86 HG SER 86 -9.519 -3.423 8.496 281 H ASP 87 H ASP 87 -5.753 -0.594 8.068 282 HA ASP 87 HA ASP 87 -4.446 -0.023 10.657 283 HB2 ASP 87 HB2 ASP 87 -3.554 -1.839 9.005 284 HB3 ASP 87 HB3 ASP 87 -2.936 -0.461 8.099 285 H ASP 88 H ASP 88 -2.941 1.803 10.713 286 HA ASP 88 HA ASP 88 -4.046 4.099 9.330 287 HB2 ASP 88 HB2 ASP 88 -1.771 3.921 11.316 288 HB3 ASP 88 HB3 ASP 88 -2.454 5.418 10.693 289 HA PRO 89 HA PRO 89 -1.367 4.293 5.884 290 HB2 PRO 89 HB2 PRO 89 -0.750 7.018 5.959 291 HB3 PRO 89 HB3 PRO 89 -2.119 6.295 5.123 292 HG2 PRO 89 HG2 PRO 89 -2.008 7.609 7.789 293 HG3 PRO 89 HG3 PRO 89 -3.310 7.614 6.584 294 HD2 PRO 89 HD2 PRO 89 -3.472 6.137 8.791 295 HD3 PRO 89 HD3 PRO 89 -4.090 5.531 7.250 296 H TRP 90 H TRP 90 -0.162 6.567 8.339 297 HA TRP 90 HA TRP 90 2.508 6.360 7.525 298 HB2 TRP 90 HB2 TRP 90 3.061 7.465 9.676 299 HB3 TRP 90 HB3 TRP 90 1.786 8.284 8.785 300 HD1 TRP 90 HD1 TRP 90 2.395 6.276 11.982 301 HE1 TRP 90 HE1 TRP 90 0.374 6.586 13.546 302 HE3 TRP 90 HE3 TRP 90 -0.718 8.783 8.796 303 HZ2 TRP 90 HZ2 TRP 90 -2.199 7.736 13.438 304 HZ3 TRP 90 HZ3 TRP 90 -2.943 9.449 9.603 305 HH2 TRP 90 HH2 TRP 90 -3.668 8.936 11.877 306 H LEU 91 H LEU 91 0.594 4.345 9.599 307 HA LEU 91 HA LEU 91 2.863 3.011 10.764 308 HB2 LEU 91 HB2 LEU 91 -0.049 2.240 10.653 309 HB3 LEU 91 HB3 LEU 91 1.175 1.368 11.552 310 HG LEU 91 HG LEU 91 0.249 4.190 12.076 311 HD11 LEU 91 HD11 LEU 91 -0.051 1.647 13.670 312 HD12 LEU 91 HD12 LEU 91 -1.335 2.484 12.797 313 HD13 LEU 91 HD13 LEU 91 -0.564 3.254 14.183 314 HD21 LEU 91 HD21 LEU 91 1.770 4.197 13.943 315 HD22 LEU 91 HD22 LEU 91 2.663 3.864 12.458 316 HD23 LEU 91 HD23 LEU 91 2.287 2.551 13.573 317 H THR 92 H THR 92 0.348 2.038 8.428 318 HA THR 92 HA THR 92 1.403 -0.409 7.649 319 HB THR 92 HB THR 92 -0.098 1.592 5.957 320 HG1 THR 92 HG1 THR 92 -0.914 0.359 8.086 321 HG21 THR 92 HG21 THR 92 0.912 -0.033 4.515 322 HG22 THR 92 HG22 THR 92 -0.804 -0.415 4.660 323 HG23 THR 92 HG23 THR 92 0.389 -1.357 5.558 324 H ALA 93 H ALA 93 2.044 2.807 6.320 325 HA ALA 93 HA ALA 93 3.715 1.924 4.217 326 HB1 ALA 93 HB1 ALA 93 2.637 4.036 4.053 327 HB2 ALA 93 HB2 ALA 93 4.373 4.341 4.158 328 HB3 ALA 93 HB3 ALA 93 3.348 4.586 5.569 329 H TYR 94 H TYR 94 4.270 3.018 7.516 330 HA TYR 94 HA TYR 94 7.090 3.139 7.424 331 HB2 TYR 94 HB2 TYR 94 5.410 4.015 9.203 332 HB3 TYR 94 HB3 TYR 94 5.504 2.388 9.868 333 HD1 TYR 94 HD1 TYR 94 7.781 1.498 10.516 334 HD2 TYR 94 HD2 TYR 94 7.050 5.609 9.749 335 HE1 TYR 94 HE1 TYR 94 9.804 2.080 11.790 336 HE2 TYR 94 HE2 TYR 94 9.074 6.213 11.014 337 HH TYR 94 HH TYR 94 11.424 3.953 11.918 338 H ASN 95 H ASN 95 4.762 0.615 8.260 339 HA ASN 95 HA ASN 95 6.450 -1.417 9.097 340 HB2 ASN 95 HB2 ASN 95 3.881 -1.592 7.512 341 HB3 ASN 95 HB3 ASN 95 4.681 -2.986 8.216 342 HD21 ASN 95 HD21 ASN 95 2.048 -1.950 8.727 343 HD22 ASN 95 HD22 ASN 95 1.967 -1.563 10.412 344 H PHE 96 H PHE 96 5.288 -0.781 5.786 345 HA PHE 96 HA PHE 96 6.921 -2.753 4.584 346 HB2 PHE 96 HB2 PHE 96 5.035 -2.018 3.354 347 HB3 PHE 96 HB3 PHE 96 5.512 -0.326 3.468 348 HD1 PHE 96 HD1 PHE 96 6.854 -3.574 2.203 349 HD2 PHE 96 HD2 PHE 96 6.479 0.623 1.599 350 HE1 PHE 96 HE1 PHE 96 8.022 -3.783 0.048 351 HE2 PHE 96 HE2 PHE 96 7.644 0.421 -0.556 352 HZ PHE 96 HZ PHE 96 8.419 -1.786 -1.335 353 H LEU 97 H LEU 97 7.391 0.666 5.245 354 HA LEU 97 HA LEU 97 9.678 1.046 3.684 355 HB2 LEU 97 HB2 LEU 97 8.127 2.611 5.311 356 HB3 LEU 97 HB3 LEU 97 9.650 2.561 6.179 357 HG LEU 97 HG LEU 97 10.805 3.330 4.122 358 HD11 LEU 97 HD11 LEU 97 8.013 3.762 3.071 359 HD12 LEU 97 HD12 LEU 97 9.069 2.438 2.582 360 HD13 LEU 97 HD13 LEU 97 9.532 4.106 2.248 361 HD21 LEU 97 HD21 LEU 97 9.824 4.842 5.955 362 HD22 LEU 97 HD22 LEU 97 8.585 5.238 4.758 363 HD23 LEU 97 HD23 LEU 97 10.282 5.576 4.420 364 H GLN 98 H GLN 98 9.434 0.237 7.164 365 HA GLN 98 HA GLN 98 12.260 -0.091 7.410 366 HB2 GLN 98 HB2 GLN 98 11.792 -1.024 9.614 367 HB3 GLN 98 HB3 GLN 98 10.873 0.453 9.356 368 HG2 GLN 98 HG2 GLN 98 8.885 -0.842 8.885 369 HG3 GLN 98 HG3 GLN 98 9.802 -2.335 9.056 370 HE21 GLN 98 HE21 GLN 98 8.515 -3.089 10.690 371 HE22 GLN 98 HE22 GLN 98 8.561 -2.438 12.293 372 H LYS 99 H LYS 99 9.602 -2.188 6.599 373 HA LYS 99 HA LYS 99 10.756 -4.697 6.987 374 HB2 LYS 99 HB2 LYS 99 8.398 -4.422 6.519 375 HB3 LYS 99 HB3 LYS 99 8.748 -3.757 4.935 376 HG2 LYS 99 HG2 LYS 99 9.978 -6.244 4.949 377 HG3 LYS 99 HG3 LYS 99 8.430 -6.498 5.755 378 HD2 LYS 99 HD2 LYS 99 7.300 -5.368 3.870 379 HD3 LYS 99 HD3 LYS 99 8.861 -5.221 3.058 380 HE2 LYS 99 HE2 LYS 99 7.674 -7.114 2.158 381 HE3 LYS 99 HE3 LYS 99 9.059 -7.685 3.082 382 HZ1 LYS 99 HZ1 LYS 99 6.269 -7.598 4.099 383 HZ2 LYS 99 HZ2 LYS 99 7.615 -8.240 4.908 384 HZ3 LYS 99 HZ3 LYS 99 7.038 -8.981 3.497 385 H ASN 100 H ASN 100 10.849 -2.553 4.165 386 HA ASN 100 HA ASN 100 12.649 -4.437 2.821 387 HB2 ASN 100 HB2 ASN 100 10.568 -3.175 1.749 388 HB3 ASN 100 HB3 ASN 100 11.758 -1.898 1.525 389 HD21 ASN 100 HD21 ASN 100 13.557 -2.280 0.188 390 HD22 ASN 100 HD22 ASN 100 13.547 -3.541 -0.994 391 H ASP 101 H ASP 101 12.890 -2.040 4.942 392 HA ASP 101 HA ASP 101 14.363 -0.462 5.581 393 HB2 ASP 101 HB2 ASP 101 15.916 -2.400 5.490 394 HB3 ASP 101 HB3 ASP 101 16.342 -1.932 3.847 395 H LEU 102 H LEU 102 12.850 0.757 4.063 396 HA LEU 102 HA LEU 102 14.314 1.993 1.852 397 HB2 LEU 102 HB2 LEU 102 11.445 2.254 2.760 398 HB3 LEU 102 HB3 LEU 102 12.132 3.168 1.447 399 HG LEU 102 HG LEU 102 11.400 1.582 0.088 400 HD11 LEU 102 HD11 LEU 102 12.625 -0.481 -0.136 401 HD12 LEU 102 HD12 LEU 102 13.305 -0.265 1.477 402 HD13 LEU 102 HD13 LEU 102 13.728 0.860 0.183 403 HD21 LEU 102 HD21 LEU 102 9.696 0.807 1.407 404 HD22 LEU 102 HD22 LEU 102 10.789 0.174 2.628 405 HD23 LEU 102 HD23 LEU 102 10.605 -0.670 1.091 406 H ASN 103 H ASN 103 13.777 4.439 1.715 407 HA ASN 103 HA ASN 103 14.845 5.655 4.116 408 HB2 ASN 103 HB2 ASN 103 15.442 6.132 1.595 409 HB3 ASN 103 HB3 ASN 103 14.025 7.165 1.661 410 HD21 ASN 103 HD21 ASN 103 15.226 9.019 1.322 411 HD22 ASN 103 HD22 ASN 103 16.215 9.711 2.572 412 HA PRO 104 HA PRO 104 10.946 6.809 5.870 413 HB2 PRO 104 HB2 PRO 104 12.421 9.231 6.774 414 HB3 PRO 104 HB3 PRO 104 11.493 8.058 7.715 415 HG2 PRO 104 HG2 PRO 104 14.145 8.024 7.786 416 HG3 PRO 104 HG3 PRO 104 13.228 6.507 7.735 417 HD2 PRO 104 HD2 PRO 104 14.691 7.911 5.532 418 HD3 PRO 104 HD3 PRO 104 14.604 6.177 5.892 419 H MET 105 H MET 105 12.679 8.805 3.695 420 HA MET 105 HA MET 105 10.915 10.944 3.307 421 HB2 MET 105 HB2 MET 105 13.181 10.868 2.402 422 HB3 MET 105 HB3 MET 105 12.736 9.533 1.358 423 HG2 MET 105 HG2 MET 105 11.119 11.021 0.223 424 HG3 MET 105 HG3 MET 105 11.726 12.357 1.201 425 HE1 MET 105 HE1 MET 105 12.128 13.637 -1.142 426 HE2 MET 105 HE2 MET 105 11.617 12.215 -2.047 427 HE3 MET 105 HE3 MET 105 13.149 12.999 -2.431 428 H PHE 106 H PHE 106 10.681 7.613 2.438 429 HA PHE 106 HA PHE 106 8.858 8.053 0.224 430 HB2 PHE 106 HB2 PHE 106 9.887 5.564 1.567 431 HB3 PHE 106 HB3 PHE 106 8.733 5.529 0.245 432 HD1 PHE 106 HD1 PHE 106 9.523 6.948 -1.872 433 HD2 PHE 106 HD2 PHE 106 12.107 5.271 1.074 434 HE1 PHE 106 HE1 PHE 106 11.383 6.992 -3.482 435 HE2 PHE 106 HE2 PHE 106 13.968 5.311 -0.536 436 HZ PHE 106 HZ PHE 106 13.608 6.171 -2.815 437 H LEU 107 H LEU 107 8.709 7.681 3.581 438 HA LEU 107 HA LEU 107 6.495 6.072 4.012 439 HB2 LEU 107 HB2 LEU 107 7.962 6.638 5.793 440 HB3 LEU 107 HB3 LEU 107 7.654 8.350 5.605 441 HG LEU 107 HG LEU 107 5.410 8.072 6.511 442 HD11 LEU 107 HD11 LEU 107 6.087 5.175 6.956 443 HD12 LEU 107 HD12 LEU 107 5.141 5.742 5.586 444 HD13 LEU 107 HD13 LEU 107 4.544 5.986 7.225 445 HD21 LEU 107 HD21 LEU 107 7.400 8.353 8.005 446 HD22 LEU 107 HD22 LEU 107 7.387 6.598 8.234 447 HD23 LEU 107 HD23 LEU 107 6.013 7.572 8.764 448 H ASP 108 H ASP 108 6.559 9.565 3.355 449 HA ASP 108 HA ASP 108 3.797 9.915 3.941 450 HB2 ASP 108 HB2 ASP 108 5.294 11.835 3.958 451 HB3 ASP 108 HB3 ASP 108 5.637 11.615 2.242 452 H GLN 109 H GLN 109 5.581 9.438 0.925 453 HA GLN 109 HA GLN 109 3.498 9.749 -0.878 454 HB2 GLN 109 HB2 GLN 109 5.627 9.668 -1.820 455 HB3 GLN 109 HB3 GLN 109 6.091 8.241 -0.903 456 HG2 GLN 109 HG2 GLN 109 4.603 6.885 -2.263 457 HG3 GLN 109 HG3 GLN 109 4.151 8.307 -3.202 458 HE21 GLN 109 HE21 GLN 109 6.623 5.973 -2.535 459 HE22 GLN 109 HE22 GLN 109 7.633 6.354 -3.882 460 H VAL 110 H VAL 110 4.706 6.771 0.636 461 HA VAL 110 HA VAL 110 2.786 5.078 -0.567 462 HB VAL 110 HB VAL 110 3.457 3.551 1.460 463 HG11 VAL 110 HG11 VAL 110 5.220 2.708 0.215 464 HG12 VAL 110 HG12 VAL 110 5.744 4.313 -0.268 465 HG13 VAL 110 HG13 VAL 110 4.312 3.604 -1.002 466 HG21 VAL 110 HG21 VAL 110 5.410 4.094 2.625 467 HG22 VAL 110 HG22 VAL 110 4.421 5.552 2.685 468 HG23 VAL 110 HG23 VAL 110 5.766 5.450 1.556 469 H ALA 111 H ALA 111 2.896 6.711 2.574 470 HA ALA 111 HA ALA 111 0.559 5.520 3.633 471 HB1 ALA 111 HB1 ALA 111 1.734 8.190 4.365 472 HB2 ALA 111 HB2 ALA 111 2.265 6.632 5.004 473 HB3 ALA 111 HB3 ALA 111 0.635 7.214 5.333 474 H LYS 112 H LYS 112 1.062 8.479 1.760 475 HA LYS 112 HA LYS 112 -1.586 9.423 2.058 476 HB2 LYS 112 HB2 LYS 112 0.596 10.028 0.083 477 HB3 LYS 112 HB3 LYS 112 -1.004 10.749 -0.065 478 HG2 LYS 112 HG2 LYS 112 0.778 10.973 2.354 479 HG3 LYS 112 HG3 LYS 112 0.578 12.214 1.109 480 HD2 LYS 112 HD2 LYS 112 -1.864 12.225 1.639 481 HD3 LYS 112 HD3 LYS 112 -1.523 11.140 2.988 482 HE2 LYS 112 HE2 LYS 112 -0.455 13.934 2.605 483 HE3 LYS 112 HE3 LYS 112 -1.680 13.430 3.768 484 HZ1 LYS 112 HZ1 LYS 112 1.210 12.780 3.750 485 HZ2 LYS 112 HZ2 LYS 112 0.100 11.908 4.683 486 HZ3 LYS 112 HZ3 LYS 112 0.314 13.562 4.961 487 H PHE 113 H PHE 113 -0.056 7.333 -0.367 488 HA PHE 113 HA PHE 113 -2.333 7.103 -2.027 489 HB2 PHE 113 HB2 PHE 113 0.068 6.277 -2.503 490 HB3 PHE 113 HB3 PHE 113 -0.393 4.845 -1.586 491 HD1 PHE 113 HD1 PHE 113 -2.281 3.451 -2.357 492 HD2 PHE 113 HD2 PHE 113 -0.696 6.594 -4.728 493 HE1 PHE 113 HE1 PHE 113 -3.374 2.486 -4.342 494 HE2 PHE 113 HE2 PHE 113 -1.787 5.648 -6.723 495 HZ PHE 113 HZ PHE 113 -3.131 3.592 -6.533 496 H ILE 114 H ILE 114 -1.211 5.204 0.747 497 HA ILE 114 HA ILE 114 -3.207 3.361 1.063 498 HB ILE 114 HB ILE 114 -1.680 5.011 3.035 499 HG12 ILE 114 HG12 ILE 114 -1.632 2.031 2.765 500 HG13 ILE 114 HG13 ILE 114 -0.788 3.025 1.582 501 HG21 ILE 114 HG21 ILE 114 -4.069 4.292 3.784 502 HG22 ILE 114 HG22 ILE 114 -2.700 4.077 4.858 503 HG23 ILE 114 HG23 ILE 114 -3.323 2.704 3.952 504 HD11 ILE 114 HD11 ILE 114 0.533 2.143 3.575 505 HD12 ILE 114 HD12 ILE 114 -0.326 3.368 4.507 506 HD13 ILE 114 HD13 ILE 114 0.695 3.848 3.161 507 H ILE 115 H ILE 115 -3.189 6.674 2.318 508 HA ILE 115 HA ILE 115 -5.728 6.682 3.436 509 HB ILE 115 HB ILE 115 -4.023 8.912 2.367 510 HG12 ILE 115 HG12 ILE 115 -4.788 8.301 5.214 511 HG13 ILE 115 HG13 ILE 115 -3.434 7.496 4.434 512 HG21 ILE 115 HG21 ILE 115 -6.152 9.846 2.167 513 HG22 ILE 115 HG22 ILE 115 -5.620 10.368 3.762 514 HG23 ILE 115 HG23 ILE 115 -6.750 9.028 3.604 515 HD11 ILE 115 HD11 ILE 115 -3.507 10.455 4.331 516 HD12 ILE 115 HD12 ILE 115 -2.140 9.340 4.462 517 HD13 ILE 115 HD13 ILE 115 -3.137 9.685 5.873 518 H ASP 116 H ASP 116 -4.696 7.806 0.216 519 HA ASP 116 HA ASP 116 -7.144 8.822 -0.621 520 HB2 ASP 116 HB2 ASP 116 -4.640 8.028 -1.912 521 HB3 ASP 116 HB3 ASP 116 -6.042 7.876 -2.965 522 H ASN 117 H ASN 117 -6.034 5.516 -0.539 523 HA ASN 117 HA ASN 117 -7.998 4.384 -2.228 524 HB2 ASN 117 HB2 ASN 117 -5.936 3.209 -1.494 525 HB3 ASN 117 HB3 ASN 117 -6.599 3.099 0.132 526 HD21 ASN 117 HD21 ASN 117 -8.202 1.598 0.566 527 HD22 ASN 117 HD22 ASN 117 -8.657 0.368 -0.555 528 H THR 118 H THR 118 -8.110 5.513 1.043 529 HA THR 118 HA THR 118 -10.871 4.502 1.300 530 HB THR 118 HB THR 118 -10.392 4.884 3.825 531 HG1 THR 118 HG1 THR 118 -7.726 4.343 3.047 532 HG21 THR 118 HG21 THR 118 -9.087 2.599 2.342 533 HG22 THR 118 HG22 THR 118 -10.776 2.677 2.841 534 HG23 THR 118 HG23 THR 118 -9.499 2.606 4.057 535 H LYS 119 H LYS 119 -9.566 7.050 0.235 536 HA LYS 119 HA LYS 119 -10.932 9.006 1.961 537 HB2 LYS 119 HB2 LYS 119 -8.414 9.126 1.964 538 HB3 LYS 119 HB3 LYS 119 -8.480 9.455 0.239 539 HG2 LYS 119 HG2 LYS 119 -10.177 11.303 1.538 540 HG3 LYS 119 HG3 LYS 119 -8.639 11.272 2.401 541 HD2 LYS 119 HD2 LYS 119 -8.946 11.612 -0.578 542 HD3 LYS 119 HD3 LYS 119 -8.704 12.936 0.564 543 HE2 LYS 119 HE2 LYS 119 -6.549 12.065 1.190 544 HE3 LYS 119 HE3 LYS 119 -6.799 10.628 0.199 545 HZ1 LYS 119 HZ1 LYS 119 -6.621 13.408 -0.840 546 HZ2 LYS 119 HZ2 LYS 119 -6.779 11.995 -1.770 547 HZ3 LYS 119 HZ3 LYS 119 -5.368 12.266 -0.880 548 H GLY 120 H GLY 120 -11.448 11.093 0.625 549 HA2 GLY 120 HA2 GLY 120 -12.862 10.442 -1.768 550 HA3 GLY 120 HA3 GLY 120 -12.525 12.062 -1.171 551 H GLN 121 H GLN 121 -12.193 12.542 -3.463 552 HA GLN 121 HA GLN 121 -10.845 13.142 -5.164 553 HB2 GLN 121 HB2 GLN 121 -9.316 13.687 -3.208 554 HB3 GLN 121 HB3 GLN 121 -8.505 12.162 -3.538 555 HG2 GLN 121 HG2 GLN 121 -7.952 12.926 -5.774 556 HG3 GLN 121 HG3 GLN 121 -8.806 14.438 -5.470 557 HE21 GLN 121 HE21 GLN 121 -6.952 15.666 -5.824 558 HE22 GLN 121 HE22 GLN 121 -5.648 15.719 -4.692 559 H MET 122 H MET 122 -8.990 10.329 -3.957 560 HA MET 122 HA MET 122 -8.694 9.313 -6.624 561 HB2 MET 122 HB2 MET 122 -6.946 9.031 -4.901 562 HB3 MET 122 HB3 MET 122 -8.033 8.005 -3.980 563 HG2 MET 122 HG2 MET 122 -6.662 6.493 -5.058 564 HG3 MET 122 HG3 MET 122 -8.098 6.530 -6.078 565 HE1 MET 122 HE1 MET 122 -6.920 8.472 -9.229 566 HE2 MET 122 HE2 MET 122 -7.861 9.087 -7.874 567 HE3 MET 122 HE3 MET 122 -8.184 7.475 -8.511 568 H LEU 123 H LEU 123 -10.180 7.914 -3.694 569 HA LEU 123 HA LEU 123 -11.551 5.916 -5.249 570 HB2 LEU 123 HB2 LEU 123 -10.669 5.763 -2.811 571 HB3 LEU 123 HB3 LEU 123 -12.148 6.586 -2.380 572 HG LEU 123 HG LEU 123 -12.206 4.099 -2.096 573 HD11 LEU 123 HD11 LEU 123 -14.420 3.795 -3.094 574 HD12 LEU 123 HD12 LEU 123 -14.190 5.264 -4.044 575 HD13 LEU 123 HD13 LEU 123 -14.274 5.354 -2.285 576 HD21 LEU 123 HD21 LEU 123 -12.460 2.703 -4.082 577 HD22 LEU 123 HD22 LEU 123 -10.882 3.492 -4.048 578 HD23 LEU 123 HD23 LEU 123 -12.150 4.102 -5.111 579 H GLY 124 H GLY 124 -12.642 8.502 -3.090 580 HA2 GLY 124 HA2 GLY 124 -14.179 10.167 -4.133 581 HA3 GLY 124 HA3 GLY 124 -15.031 8.787 -4.808 582 H LEU 125 H LEU 125 -13.737 8.943 -1.544 583 HA LEU 125 HA LEU 125 -14.683 9.020 0.508 584 HB2 LEU 125 HB2 LEU 125 -16.944 10.313 -1.010 585 HB3 LEU 125 HB3 LEU 125 -16.951 10.109 0.731 586 HG LEU 125 HG LEU 125 -14.877 11.687 -0.792 587 HD11 LEU 125 HD11 LEU 125 -15.999 13.657 0.117 588 HD12 LEU 125 HD12 LEU 125 -17.248 12.628 0.814 589 HD13 LEU 125 HD13 LEU 125 -17.072 12.740 -0.937 590 HD21 LEU 125 HD21 LEU 125 -14.261 12.516 1.428 591 HD22 LEU 125 HD22 LEU 125 -14.053 10.768 1.309 592 HD23 LEU 125 HD23 LEU 125 -15.447 11.435 2.159 593 H GLY 126 H GLY 126 -17.152 8.529 1.497 594 HA2 GLY 126 HA2 GLY 126 -18.919 6.751 0.749 595 HA3 GLY 126 HA3 GLY 126 -17.498 5.712 0.792 596 H ASN 127 H ASN 127 -19.515 5.006 2.413 597 HA ASN 127 HA ASN 127 -18.449 5.764 5.054 598 HB2 ASN 127 HB2 ASN 127 -20.789 6.665 4.499 599 HB3 ASN 127 HB3 ASN 127 -21.327 4.991 4.584 600 HD21 ASN 127 HD21 ASN 127 -22.114 7.230 6.220 601 HD22 ASN 127 HD22 ASN 127 -21.720 6.811 7.858 602 HA PRO 128 HA PRO 128 -17.460 1.357 4.863 603 HB2 PRO 128 HB2 PRO 128 -16.650 2.015 7.645 604 HB3 PRO 128 HB3 PRO 128 -15.747 1.178 6.378 605 HG2 PRO 128 HG2 PRO 128 -15.158 3.693 7.031 606 HG3 PRO 128 HG3 PRO 128 -15.116 3.152 5.341 607 HD2 PRO 128 HD2 PRO 128 -17.176 4.788 6.760 608 HD3 PRO 128 HD3 PRO 128 -16.574 4.930 5.097 Start of MODEL 9 1 H1 ALA 49 H1 ALA 49 -9.250 -23.403 2.810 2 H2 ALA 49 H2 ALA 49 -7.963 -22.304 2.822 3 H3 ALA 49 H3 ALA 49 -7.981 -23.599 3.909 4 HA ALA 49 HA ALA 49 -6.434 -23.997 2.103 5 HB1 ALA 49 HB1 ALA 49 -8.863 -25.784 2.028 6 HB2 ALA 49 HB2 ALA 49 -7.530 -25.899 3.176 7 HB3 ALA 49 HB3 ALA 49 -7.249 -26.211 1.463 8 H ASN 50 H ASN 50 -9.802 -23.996 0.913 9 HA ASN 50 HA ASN 50 -8.772 -23.496 -1.786 10 HB2 ASN 50 HB2 ASN 50 -11.484 -24.383 -0.799 11 HB3 ASN 50 HB3 ASN 50 -11.151 -23.972 -2.480 12 HD21 ASN 50 HD21 ASN 50 -9.785 -25.286 -3.692 13 HD22 ASN 50 HD22 ASN 50 -9.435 -26.917 -3.215 14 H GLN 51 H GLN 51 -8.951 -21.582 -2.729 15 HA GLN 51 HA GLN 51 -10.912 -19.675 -1.701 16 HB2 GLN 51 HB2 GLN 51 -7.975 -19.067 -2.062 17 HB3 GLN 51 HB3 GLN 51 -9.216 -17.855 -1.783 18 HG2 GLN 51 HG2 GLN 51 -9.739 -19.046 0.366 19 HG3 GLN 51 HG3 GLN 51 -8.288 -20.007 0.091 20 HE21 GLN 51 HE21 GLN 51 -6.920 -17.714 -1.171 21 HE22 GLN 51 HE22 GLN 51 -6.445 -16.681 0.140 22 H GLN 52 H GLN 52 -11.976 -18.718 -3.243 23 HA GLN 52 HA GLN 52 -10.680 -18.325 -5.854 24 HB2 GLN 52 HB2 GLN 52 -13.050 -18.333 -6.778 25 HB3 GLN 52 HB3 GLN 52 -12.430 -19.888 -6.242 26 HG2 GLN 52 HG2 GLN 52 -13.650 -19.610 -4.118 27 HG3 GLN 52 HG3 GLN 52 -14.323 -18.098 -4.730 28 HE21 GLN 52 HE21 GLN 52 -14.286 -21.565 -5.057 29 HE22 GLN 52 HE22 GLN 52 -15.752 -21.697 -5.971 30 H THR 53 H THR 53 -10.300 -16.635 -3.784 31 HA THR 53 HA THR 53 -12.279 -14.515 -3.820 32 HB THR 53 HB THR 53 -9.673 -14.679 -2.290 33 HG1 THR 53 HG1 THR 53 -12.326 -15.476 -1.598 34 HG21 THR 53 HG21 THR 53 -10.614 -12.409 -2.451 35 HG22 THR 53 HG22 THR 53 -10.717 -13.035 -0.804 36 HG23 THR 53 HG23 THR 53 -12.153 -13.011 -1.827 37 H SER 54 H SER 54 -12.040 -12.573 -4.757 38 HA SER 54 HA SER 54 -9.437 -11.884 -5.922 39 HB2 SER 54 HB2 SER 54 -11.010 -12.752 -7.678 40 HB3 SER 54 HB3 SER 54 -12.101 -11.424 -7.287 41 HG SER 54 HG SER 54 -10.501 -11.179 -9.098 42 H GLY 55 H GLY 55 -9.355 -9.481 -6.440 43 HA2 GLY 55 HA2 GLY 55 -10.053 -7.262 -5.895 44 HA3 GLY 55 HA3 GLY 55 -11.016 -7.922 -4.579 45 H LYS 56 H LYS 56 -9.065 -9.600 -3.458 46 HA LYS 56 HA LYS 56 -7.376 -7.671 -2.140 47 HB2 LYS 56 HB2 LYS 56 -8.351 -10.406 -1.588 48 HB3 LYS 56 HB3 LYS 56 -6.742 -10.028 -0.980 49 HG2 LYS 56 HG2 LYS 56 -8.427 -9.584 0.702 50 HG3 LYS 56 HG3 LYS 56 -7.626 -8.108 0.185 51 HD2 LYS 56 HD2 LYS 56 -9.594 -7.811 -1.421 52 HD3 LYS 56 HD3 LYS 56 -10.402 -9.034 -0.437 53 HE2 LYS 56 HE2 LYS 56 -10.126 -7.668 1.544 54 HE3 LYS 56 HE3 LYS 56 -9.220 -6.469 0.620 55 HZ1 LYS 56 HZ1 LYS 56 -11.347 -5.597 0.734 56 HZ2 LYS 56 HZ2 LYS 56 -12.102 -7.094 0.518 57 HZ3 LYS 56 HZ3 LYS 56 -11.341 -6.336 -0.793 58 H VAL 57 H VAL 57 -5.080 -8.364 -1.661 59 HA VAL 57 HA VAL 57 -3.907 -9.106 -4.267 60 HB VAL 57 HB VAL 57 -2.573 -7.374 -2.207 61 HG11 VAL 57 HG11 VAL 57 -2.130 -7.951 -5.115 62 HG12 VAL 57 HG12 VAL 57 -0.997 -8.078 -3.763 63 HG13 VAL 57 HG13 VAL 57 -1.489 -6.494 -4.358 64 HG21 VAL 57 HG21 VAL 57 -3.543 -5.449 -2.947 65 HG22 VAL 57 HG22 VAL 57 -4.905 -6.562 -3.117 66 HG23 VAL 57 HG23 VAL 57 -3.943 -6.121 -4.529 67 H LEU 58 H LEU 58 -2.294 -10.568 -4.344 68 HA LEU 58 HA LEU 58 -1.391 -11.757 -1.816 69 HB2 LEU 58 HB2 LEU 58 -2.454 -13.304 -3.388 70 HB3 LEU 58 HB3 LEU 58 -1.309 -12.846 -4.637 71 HG LEU 58 HG LEU 58 0.486 -13.704 -2.970 72 HD11 LEU 58 HD11 LEU 58 -1.743 -15.425 -1.990 73 HD12 LEU 58 HD12 LEU 58 -1.412 -13.884 -1.201 74 HD13 LEU 58 HD13 LEU 58 -0.154 -15.126 -1.274 75 HD21 LEU 58 HD21 LEU 58 -0.065 -14.777 -5.101 76 HD22 LEU 58 HD22 LEU 58 -1.405 -15.623 -4.323 77 HD23 LEU 58 HD23 LEU 58 0.256 -15.969 -3.840 78 H TYR 59 H TYR 59 0.508 -10.952 -1.151 79 HA TYR 59 HA TYR 59 2.531 -10.337 -3.203 80 HB2 TYR 59 HB2 TYR 59 3.169 -8.392 -2.140 81 HB3 TYR 59 HB3 TYR 59 1.442 -8.392 -1.803 82 HD1 TYR 59 HD1 TYR 59 0.737 -9.464 0.478 83 HD2 TYR 59 HD2 TYR 59 4.667 -8.126 -0.424 84 HE1 TYR 59 HE1 TYR 59 1.244 -9.360 2.884 85 HE2 TYR 59 HE2 TYR 59 5.187 -7.999 1.977 86 HH TYR 59 HH TYR 59 3.294 -9.439 4.335 87 H GLU 60 H GLU 60 4.142 -11.682 -3.165 88 HA GLU 60 HA GLU 60 5.811 -13.039 -2.500 89 HB2 GLU 60 HB2 GLU 60 5.478 -11.718 0.179 90 HB3 GLU 60 HB3 GLU 60 6.870 -12.663 -0.332 91 HG2 GLU 60 HG2 GLU 60 7.362 -11.043 -2.062 92 HG3 GLU 60 HG3 GLU 60 5.930 -10.119 -1.616 93 H GLY 61 H GLY 61 2.839 -13.569 -1.755 94 HA2 GLY 61 HA2 GLY 61 2.175 -15.906 -1.409 95 HA3 GLY 61 HA3 GLY 61 3.405 -15.986 -0.159 96 H LYS 62 H LYS 62 2.510 -13.178 0.685 97 HA LYS 62 HA LYS 62 0.375 -14.088 2.458 98 HB2 LYS 62 HB2 LYS 62 2.358 -12.759 3.310 99 HB3 LYS 62 HB3 LYS 62 1.740 -11.400 2.399 100 HG2 LYS 62 HG2 LYS 62 -0.300 -11.412 3.724 101 HG3 LYS 62 HG3 LYS 62 0.311 -12.785 4.648 102 HD2 LYS 62 HD2 LYS 62 1.863 -10.232 4.449 103 HD3 LYS 62 HD3 LYS 62 0.579 -10.423 5.641 104 HE2 LYS 62 HE2 LYS 62 2.840 -12.378 5.371 105 HE3 LYS 62 HE3 LYS 62 2.963 -10.937 6.377 106 HZ1 LYS 62 HZ1 LYS 62 2.272 -12.926 7.625 107 HZ2 LYS 62 HZ2 LYS 62 0.868 -13.027 6.676 108 HZ3 LYS 62 HZ3 LYS 62 1.112 -11.686 7.685 109 H GLU 63 H GLU 63 -1.578 -12.915 2.692 110 HA GLU 63 HA GLU 63 -2.381 -11.514 0.234 111 HB2 GLU 63 HB2 GLU 63 -3.970 -13.208 2.151 112 HB3 GLU 63 HB3 GLU 63 -4.736 -12.138 0.989 113 HG2 GLU 63 HG2 GLU 63 -3.637 -13.351 -0.827 114 HG3 GLU 63 HG3 GLU 63 -2.905 -14.437 0.354 115 H PHE 64 H PHE 64 -3.292 -9.536 0.361 116 HA PHE 64 HA PHE 64 -4.010 -8.484 2.995 117 HB2 PHE 64 HB2 PHE 64 -1.758 -7.581 1.387 118 HB3 PHE 64 HB3 PHE 64 -2.880 -6.280 1.742 119 HD1 PHE 64 HD1 PHE 64 -3.512 -5.878 4.163 120 HD2 PHE 64 HD2 PHE 64 -0.250 -8.350 3.004 121 HE1 PHE 64 HE1 PHE 64 -2.562 -5.677 6.425 122 HE2 PHE 64 HE2 PHE 64 0.703 -8.160 5.262 123 HZ PHE 64 HZ PHE 64 -0.451 -6.823 6.977 124 H ASP 65 H ASP 65 -5.124 -6.359 2.778 125 HA ASP 65 HA ASP 65 -7.409 -6.610 1.193 126 HB2 ASP 65 HB2 ASP 65 -6.224 -4.195 2.572 127 HB3 ASP 65 HB3 ASP 65 -7.779 -4.161 1.760 128 H TYR 66 H TYR 66 -5.047 -3.992 0.931 129 HA TYR 66 HA TYR 66 -5.021 -4.281 -1.978 130 HB2 TYR 66 HB2 TYR 66 -5.775 -1.761 -0.488 131 HB3 TYR 66 HB3 TYR 66 -5.250 -1.759 -2.166 132 HD1 TYR 66 HD1 TYR 66 -6.633 -3.039 -3.861 133 HD2 TYR 66 HD2 TYR 66 -8.010 -2.240 0.086 134 HE1 TYR 66 HE1 TYR 66 -8.942 -3.469 -4.586 135 HE2 TYR 66 HE2 TYR 66 -10.322 -2.672 -0.633 136 HH TYR 66 HH TYR 66 -11.632 -2.616 -2.726 137 H VAL 67 H VAL 67 -2.850 -4.825 -2.042 138 HA VAL 67 HA VAL 67 -0.967 -3.087 -0.680 139 HB VAL 67 HB VAL 67 0.660 -4.613 -0.999 140 HG11 VAL 67 HG11 VAL 67 -1.246 -5.760 0.058 141 HG12 VAL 67 HG12 VAL 67 -0.149 -6.857 -0.771 142 HG13 VAL 67 HG13 VAL 67 -1.686 -6.421 -1.517 143 HG21 VAL 67 HG21 VAL 67 -0.416 -5.930 -3.439 144 HG22 VAL 67 HG22 VAL 67 1.258 -5.714 -2.913 145 HG23 VAL 67 HG23 VAL 67 0.359 -4.354 -3.584 146 H PHE 68 H PHE 68 0.239 -1.545 -1.629 147 HA PHE 68 HA PHE 68 -0.694 -0.651 -4.235 148 HB2 PHE 68 HB2 PHE 68 -0.589 0.951 -2.364 149 HB3 PHE 68 HB3 PHE 68 1.138 0.678 -2.228 150 HD1 PHE 68 HD1 PHE 68 -1.137 1.360 -5.120 151 HD2 PHE 68 HD2 PHE 68 2.319 2.468 -2.912 152 HE1 PHE 68 HE1 PHE 68 -0.680 3.149 -6.747 153 HE2 PHE 68 HE2 PHE 68 2.785 4.265 -4.528 154 HZ PHE 68 HZ PHE 68 1.284 4.607 -6.452 155 H SER 69 H SER 69 0.628 -0.346 -6.015 156 HA SER 69 HA SER 69 3.126 -1.844 -5.926 157 HB2 SER 69 HB2 SER 69 1.759 -0.670 -8.350 158 HB3 SER 69 HB3 SER 69 2.988 -1.931 -8.317 159 HG SER 69 HG SER 69 0.544 -2.419 -8.494 160 H ILE 70 H ILE 70 4.967 -0.847 -5.693 161 HA ILE 70 HA ILE 70 5.072 2.056 -5.865 162 HB ILE 70 HB ILE 70 7.028 0.070 -4.745 163 HG12 ILE 70 HG12 ILE 70 4.962 0.265 -3.457 164 HG13 ILE 70 HG13 ILE 70 6.315 0.979 -2.600 165 HG21 ILE 70 HG21 ILE 70 8.265 1.950 -3.874 166 HG22 ILE 70 HG22 ILE 70 7.101 3.074 -4.571 167 HG23 ILE 70 HG23 ILE 70 8.127 2.104 -5.627 168 HD11 ILE 70 HD11 ILE 70 5.579 3.214 -3.444 169 HD12 ILE 70 HD12 ILE 70 4.485 2.444 -2.293 170 HD13 ILE 70 HD13 ILE 70 4.114 2.421 -4.021 171 H ASP 71 H ASP 71 5.786 2.953 -7.681 172 HA ASP 71 HA ASP 71 7.581 1.458 -9.439 173 HB2 ASP 71 HB2 ASP 71 5.675 2.331 -10.601 174 HB3 ASP 71 HB3 ASP 71 5.895 3.926 -9.887 175 H VAL 72 H VAL 72 9.596 2.099 -9.868 176 HA VAL 72 HA VAL 72 10.754 4.583 -9.355 177 HB VAL 72 HB VAL 72 10.321 4.098 -6.984 178 HG11 VAL 72 HG11 VAL 72 11.609 2.214 -5.909 179 HG12 VAL 72 HG12 VAL 72 11.880 1.592 -7.539 180 HG13 VAL 72 HG13 VAL 72 10.237 1.739 -6.913 181 HG21 VAL 72 HG21 VAL 72 12.614 4.345 -6.123 182 HG22 VAL 72 HG22 VAL 72 12.302 5.391 -7.509 183 HG23 VAL 72 HG23 VAL 72 13.242 3.913 -7.714 184 H ASN 73 H ASN 73 11.082 1.108 -9.452 185 HA ASN 73 HA ASN 73 13.649 1.387 -10.846 186 HB2 ASN 73 HB2 ASN 73 12.346 -1.070 -9.653 187 HB3 ASN 73 HB3 ASN 73 13.911 -1.034 -10.454 188 HD21 ASN 73 HD21 ASN 73 13.128 -1.790 -7.716 189 HD22 ASN 73 HD22 ASN 73 14.098 -0.807 -6.666 190 H GLU 74 H GLU 74 13.319 1.614 -12.981 191 HA GLU 74 HA GLU 74 11.168 0.111 -14.262 192 HB2 GLU 74 HB2 GLU 74 11.465 2.500 -14.844 193 HB3 GLU 74 HB3 GLU 74 13.080 2.143 -15.439 194 HG2 GLU 74 HG2 GLU 74 11.507 2.340 -17.271 195 HG3 GLU 74 HG3 GLU 74 12.134 0.697 -17.160 196 H GLY 75 H GLY 75 11.673 -1.922 -14.695 197 HA2 GLY 75 HA2 GLY 75 12.845 -3.521 -16.035 198 HA3 GLY 75 HA3 GLY 75 14.273 -2.497 -15.945 199 H GLY 76 H GLY 76 13.611 -2.113 -13.005 200 HA2 GLY 76 HA2 GLY 76 14.915 -4.582 -12.093 201 HA3 GLY 76 HA3 GLY 76 14.917 -3.045 -11.237 202 HA PRO 77 HA PRO 77 11.749 -5.918 -9.345 203 HB2 PRO 77 HB2 PRO 77 12.458 -5.441 -6.765 204 HB3 PRO 77 HB3 PRO 77 13.219 -6.688 -7.762 205 HG2 PRO 77 HG2 PRO 77 14.185 -3.923 -7.120 206 HG3 PRO 77 HG3 PRO 77 15.093 -5.448 -7.161 207 HD2 PRO 77 HD2 PRO 77 15.172 -3.670 -9.195 208 HD3 PRO 77 HD3 PRO 77 15.282 -5.421 -9.462 209 H SER 78 H SER 78 9.768 -5.244 -8.825 210 HA SER 78 HA SER 78 9.372 -2.412 -8.222 211 HB2 SER 78 HB2 SER 78 7.317 -4.529 -8.904 212 HB3 SER 78 HB3 SER 78 7.051 -2.786 -8.843 213 HG SER 78 HG SER 78 8.518 -4.308 -10.718 214 H TYR 79 H TYR 79 7.906 -1.787 -6.477 215 HA TYR 79 HA TYR 79 8.226 -3.657 -4.215 216 HB2 TYR 79 HB2 TYR 79 7.921 -0.637 -4.204 217 HB3 TYR 79 HB3 TYR 79 8.139 -1.643 -2.779 218 HD1 TYR 79 HD1 TYR 79 10.227 -3.496 -4.270 219 HD2 TYR 79 HD2 TYR 79 9.880 0.710 -3.712 220 HE1 TYR 79 HE1 TYR 79 12.663 -3.266 -4.523 221 HE2 TYR 79 HE2 TYR 79 12.314 0.949 -3.969 222 HH TYR 79 HH TYR 79 14.368 -0.560 -3.631 223 H LYS 80 H LYS 80 6.442 -3.997 -2.781 224 HA LYS 80 HA LYS 80 3.900 -2.863 -3.732 225 HB2 LYS 80 HB2 LYS 80 4.196 -5.659 -2.608 226 HB3 LYS 80 HB3 LYS 80 2.733 -4.933 -3.256 227 HG2 LYS 80 HG2 LYS 80 5.201 -5.728 -4.777 228 HG3 LYS 80 HG3 LYS 80 3.609 -6.475 -4.859 229 HD2 LYS 80 HD2 LYS 80 3.743 -3.590 -5.465 230 HD3 LYS 80 HD3 LYS 80 4.503 -4.658 -6.639 231 HE2 LYS 80 HE2 LYS 80 1.631 -4.564 -5.765 232 HE3 LYS 80 HE3 LYS 80 2.293 -4.333 -7.371 233 HZ1 LYS 80 HZ1 LYS 80 2.897 -6.655 -7.471 234 HZ2 LYS 80 HZ2 LYS 80 1.243 -6.505 -7.140 235 HZ3 LYS 80 HZ3 LYS 80 2.319 -6.918 -5.899 236 H LEU 81 H LEU 81 2.570 -2.054 -2.231 237 HA LEU 81 HA LEU 81 3.532 -2.013 0.561 238 HB2 LEU 81 HB2 LEU 81 3.202 0.084 -1.033 239 HB3 LEU 81 HB3 LEU 81 1.546 -0.068 -0.520 240 HG LEU 81 HG LEU 81 3.899 0.896 0.961 241 HD11 LEU 81 HD11 LEU 81 2.320 2.425 1.852 242 HD12 LEU 81 HD12 LEU 81 0.978 1.445 1.276 243 HD13 LEU 81 HD13 LEU 81 2.015 2.279 0.120 244 HD21 LEU 81 HD21 LEU 81 2.966 0.333 3.139 245 HD22 LEU 81 HD22 LEU 81 3.378 -1.125 2.239 246 HD23 LEU 81 HD23 LEU 81 1.696 -0.615 2.364 247 HA PRO 82 HA PRO 82 -0.366 -4.487 0.790 248 HB2 PRO 82 HB2 PRO 82 0.962 -5.252 3.316 249 HB3 PRO 82 HB3 PRO 82 0.224 -6.271 2.075 250 HG2 PRO 82 HG2 PRO 82 2.850 -6.151 2.298 251 HG3 PRO 82 HG3 PRO 82 2.092 -6.161 0.694 252 HD2 PRO 82 HD2 PRO 82 3.186 -3.835 2.236 253 HD3 PRO 82 HD3 PRO 82 3.391 -4.237 0.524 254 H TYR 83 H TYR 83 -1.968 -3.120 1.313 255 HA TYR 83 HA TYR 83 -1.921 -1.926 4.000 256 HB2 TYR 83 HB2 TYR 83 -1.942 -0.205 2.294 257 HB3 TYR 83 HB3 TYR 83 -3.305 -0.971 1.480 258 HD1 TYR 83 HD1 TYR 83 -2.671 -0.072 5.053 259 HD2 TYR 83 HD2 TYR 83 -5.169 0.396 1.648 260 HE1 TYR 83 HE1 TYR 83 -4.207 1.297 6.386 261 HE2 TYR 83 HE2 TYR 83 -6.724 1.767 2.975 262 HH TYR 83 HH TYR 83 -5.907 2.860 6.185 263 H ASN 84 H ASN 84 -3.281 -2.797 5.407 264 HA ASN 84 HA ASN 84 -5.784 -3.999 4.462 265 HB2 ASN 84 HB2 ASN 84 -4.717 -5.320 6.174 266 HB3 ASN 84 HB3 ASN 84 -4.472 -3.902 7.183 267 HD21 ASN 84 HD21 ASN 84 -6.891 -6.107 5.914 268 HD22 ASN 84 HD22 ASN 84 -8.078 -5.784 7.134 269 H THR 85 H THR 85 -7.742 -3.044 4.867 270 HA THR 85 HA THR 85 -7.512 -0.231 4.658 271 HB THR 85 HB THR 85 -10.056 -0.328 4.525 272 HG1 THR 85 HG1 THR 85 -9.549 -3.149 4.430 273 HG21 THR 85 HG21 THR 85 -8.177 -0.655 2.686 274 HG22 THR 85 HG22 THR 85 -9.889 -0.820 2.298 275 HG23 THR 85 HG23 THR 85 -8.905 -2.257 2.578 276 H SER 86 H SER 86 -7.697 -2.086 7.410 277 HA SER 86 HA SER 86 -9.061 0.017 8.940 278 HB2 SER 86 HB2 SER 86 -8.314 -2.782 9.793 279 HB3 SER 86 HB3 SER 86 -9.282 -1.636 10.720 280 HG SER 86 HG SER 86 -10.545 -1.706 8.512 281 H ASP 87 H ASP 87 -6.109 -0.253 7.912 282 HA ASP 87 HA ASP 87 -4.789 0.151 10.520 283 HB2 ASP 87 HB2 ASP 87 -4.026 -1.663 8.773 284 HB3 ASP 87 HB3 ASP 87 -3.261 -0.290 7.980 285 H ASP 88 H ASP 88 -3.185 1.849 10.668 286 HA ASP 88 HA ASP 88 -4.129 4.277 9.430 287 HB2 ASP 88 HB2 ASP 88 -1.835 3.814 11.344 288 HB3 ASP 88 HB3 ASP 88 -2.381 5.391 10.800 289 HA PRO 89 HA PRO 89 -1.457 4.573 5.956 290 HB2 PRO 89 HB2 PRO 89 -0.756 7.260 6.194 291 HB3 PRO 89 HB3 PRO 89 -2.177 6.646 5.348 292 HG2 PRO 89 HG2 PRO 89 -1.945 7.762 8.103 293 HG3 PRO 89 HG3 PRO 89 -3.261 7.933 6.927 294 HD2 PRO 89 HD2 PRO 89 -3.480 6.294 9.012 295 HD3 PRO 89 HD3 PRO 89 -4.144 5.842 7.438 296 H TRP 90 H TRP 90 -0.233 6.623 8.578 297 HA TRP 90 HA TRP 90 2.444 6.454 7.790 298 HB2 TRP 90 HB2 TRP 90 2.977 7.437 9.966 299 HB3 TRP 90 HB3 TRP 90 1.610 8.253 9.219 300 HD1 TRP 90 HD1 TRP 90 -0.906 7.165 10.184 301 HE1 TRP 90 HE1 TRP 90 -1.523 6.774 12.652 302 HE3 TRP 90 HE3 TRP 90 3.801 7.005 12.194 303 HZ2 TRP 90 HZ2 TRP 90 -0.197 6.442 15.115 304 HZ3 TRP 90 HZ3 TRP 90 4.031 6.647 14.618 305 HH2 TRP 90 HH2 TRP 90 2.073 6.373 16.044 306 H LEU 91 H LEU 91 0.503 4.308 9.723 307 HA LEU 91 HA LEU 91 2.761 2.896 10.806 308 HB2 LEU 91 HB2 LEU 91 -0.162 2.169 10.676 309 HB3 LEU 91 HB3 LEU 91 1.055 1.233 11.520 310 HG LEU 91 HG LEU 91 0.192 4.040 12.194 311 HD11 LEU 91 HD11 LEU 91 -0.156 1.442 13.683 312 HD12 LEU 91 HD12 LEU 91 -1.425 2.310 12.821 313 HD13 LEU 91 HD13 LEU 91 -0.666 3.035 14.238 314 HD21 LEU 91 HD21 LEU 91 1.704 3.882 14.069 315 HD22 LEU 91 HD22 LEU 91 2.588 3.651 12.556 316 HD23 LEU 91 HD23 LEU 91 2.193 2.262 13.570 317 H THR 92 H THR 92 0.226 2.066 8.433 318 HA THR 92 HA THR 92 1.242 -0.367 7.567 319 HB THR 92 HB THR 92 -0.206 1.722 5.926 320 HG1 THR 92 HG1 THR 92 -1.033 0.345 8.035 321 HG21 THR 92 HG21 THR 92 0.717 0.094 4.454 322 HG22 THR 92 HG22 THR 92 -1.002 -0.260 4.629 323 HG23 THR 92 HG23 THR 92 0.192 -1.230 5.492 324 H ALA 93 H ALA 93 1.997 2.900 6.447 325 HA ALA 93 HA ALA 93 3.661 2.084 4.300 326 HB1 ALA 93 HB1 ALA 93 2.580 4.238 4.299 327 HB2 ALA 93 HB2 ALA 93 4.332 4.457 4.281 328 HB3 ALA 93 HB3 ALA 93 3.429 4.694 5.776 329 H TYR 94 H TYR 94 4.209 3.047 7.638 330 HA TYR 94 HA TYR 94 7.027 3.134 7.569 331 HB2 TYR 94 HB2 TYR 94 5.374 3.986 9.361 332 HB3 TYR 94 HB3 TYR 94 5.402 2.337 9.976 333 HD1 TYR 94 HD1 TYR 94 7.644 1.356 10.635 334 HD2 TYR 94 HD2 TYR 94 7.054 5.504 9.962 335 HE1 TYR 94 HE1 TYR 94 9.683 1.842 11.934 336 HE2 TYR 94 HE2 TYR 94 9.089 6.014 11.248 337 HH TYR 94 HH TYR 94 10.448 4.879 13.079 338 H ASN 95 H ASN 95 4.698 0.583 8.359 339 HA ASN 95 HA ASN 95 6.432 -1.469 9.065 340 HB2 ASN 95 HB2 ASN 95 3.719 -1.432 7.792 341 HB3 ASN 95 HB3 ASN 95 4.576 -2.953 7.936 342 HD21 ASN 95 HD21 ASN 95 4.815 -3.915 9.909 343 HD22 ASN 95 HD22 ASN 95 4.040 -3.327 11.346 344 H PHE 96 H PHE 96 5.149 -0.736 5.813 345 HA PHE 96 HA PHE 96 6.717 -2.687 4.506 346 HB2 PHE 96 HB2 PHE 96 4.823 -1.894 3.339 347 HB3 PHE 96 HB3 PHE 96 5.308 -0.212 3.509 348 HD1 PHE 96 HD1 PHE 96 6.653 -3.398 2.081 349 HD2 PHE 96 HD2 PHE 96 6.169 0.810 1.642 350 HE1 PHE 96 HE1 PHE 96 7.752 -3.502 -0.117 351 HE2 PHE 96 HE2 PHE 96 7.261 0.710 -0.558 352 HZ PHE 96 HZ PHE 96 8.055 -1.446 -1.439 353 H LEU 97 H LEU 97 7.301 0.693 5.286 354 HA LEU 97 HA LEU 97 9.627 1.025 3.748 355 HB2 LEU 97 HB2 LEU 97 8.124 2.566 5.513 356 HB3 LEU 97 HB3 LEU 97 9.721 2.500 6.231 357 HG LEU 97 HG LEU 97 10.668 3.304 4.077 358 HD11 LEU 97 HD11 LEU 97 7.781 3.758 3.346 359 HD12 LEU 97 HD12 LEU 97 8.802 2.481 2.686 360 HD13 LEU 97 HD13 LEU 97 9.200 4.170 2.380 361 HD21 LEU 97 HD21 LEU 97 9.842 4.757 6.069 362 HD22 LEU 97 HD22 LEU 97 8.572 5.246 4.938 363 HD23 LEU 97 HD23 LEU 97 10.265 5.523 4.540 364 H GLN 98 H GLN 98 9.148 -0.235 7.011 365 HA GLN 98 HA GLN 98 11.968 -0.659 7.440 366 HB2 GLN 98 HB2 GLN 98 9.550 -1.694 8.920 367 HB3 GLN 98 HB3 GLN 98 11.215 -1.921 9.441 368 HG2 GLN 98 HG2 GLN 98 9.941 0.770 9.025 369 HG3 GLN 98 HG3 GLN 98 10.005 -0.070 10.571 370 HE21 GLN 98 HE21 GLN 98 11.876 1.532 8.109 371 HE22 GLN 98 HE22 GLN 98 13.300 1.756 9.059 372 H LYS 99 H LYS 99 9.213 -2.516 6.380 373 HA LYS 99 HA LYS 99 10.269 -5.096 6.406 374 HB2 LYS 99 HB2 LYS 99 7.890 -4.578 6.123 375 HB3 LYS 99 HB3 LYS 99 8.220 -3.830 4.576 376 HG2 LYS 99 HG2 LYS 99 8.909 -6.706 4.973 377 HG3 LYS 99 HG3 LYS 99 7.233 -6.238 4.693 378 HD2 LYS 99 HD2 LYS 99 8.154 -4.937 2.669 379 HD3 LYS 99 HD3 LYS 99 9.612 -5.898 2.892 380 HE2 LYS 99 HE2 LYS 99 6.864 -7.079 2.545 381 HE3 LYS 99 HE3 LYS 99 7.988 -6.806 1.217 382 HZ1 LYS 99 HZ1 LYS 99 8.108 -9.072 1.965 383 HZ2 LYS 99 HZ2 LYS 99 8.435 -8.585 3.557 384 HZ3 LYS 99 HZ3 LYS 99 9.566 -8.286 2.333 385 H ASN 100 H ASN 100 10.372 -2.598 3.896 386 HA ASN 100 HA ASN 100 11.971 -4.384 2.216 387 HB2 ASN 100 HB2 ASN 100 9.902 -3.047 1.385 388 HB3 ASN 100 HB3 ASN 100 10.993 -1.673 1.386 389 HD21 ASN 100 HD21 ASN 100 10.897 -1.432 -0.836 390 HD22 ASN 100 HD22 ASN 100 11.671 -2.536 -1.914 391 H ASP 101 H ASP 101 12.393 -2.095 4.511 392 HA ASP 101 HA ASP 101 14.038 -0.692 5.185 393 HB2 ASP 101 HB2 ASP 101 15.621 -2.431 3.310 394 HB3 ASP 101 HB3 ASP 101 16.369 -1.116 4.206 395 H LEU 102 H LEU 102 12.504 0.745 3.842 396 HA LEU 102 HA LEU 102 13.915 2.007 1.604 397 HB2 LEU 102 HB2 LEU 102 11.118 2.369 2.664 398 HB3 LEU 102 HB3 LEU 102 11.785 3.311 1.360 399 HG LEU 102 HG LEU 102 10.861 1.833 0.002 400 HD11 LEU 102 HD11 LEU 102 12.047 -0.195 -0.481 401 HD12 LEU 102 HD12 LEU 102 12.854 -0.125 1.083 402 HD13 LEU 102 HD13 LEU 102 13.194 1.103 -0.139 403 HD21 LEU 102 HD21 LEU 102 9.291 1.006 1.458 404 HD22 LEU 102 HD22 LEU 102 10.495 0.235 2.479 405 HD23 LEU 102 HD23 LEU 102 10.109 -0.455 0.901 406 H ASN 103 H ASN 103 13.634 4.428 1.535 407 HA ASN 103 HA ASN 103 14.747 5.609 3.906 408 HB2 ASN 103 HB2 ASN 103 15.336 6.184 1.487 409 HB3 ASN 103 HB3 ASN 103 13.788 7.000 1.408 410 HD21 ASN 103 HD21 ASN 103 17.006 7.114 2.674 411 HD22 ASN 103 HD22 ASN 103 16.929 8.743 3.248 412 HA PRO 104 HA PRO 104 10.973 6.815 5.879 413 HB2 PRO 104 HB2 PRO 104 12.478 9.238 6.698 414 HB3 PRO 104 HB3 PRO 104 11.647 8.035 7.692 415 HG2 PRO 104 HG2 PRO 104 14.302 8.066 7.561 416 HG3 PRO 104 HG3 PRO 104 13.413 6.532 7.584 417 HD2 PRO 104 HD2 PRO 104 14.666 7.961 5.269 418 HD3 PRO 104 HD3 PRO 104 14.664 6.226 5.644 419 H MET 105 H MET 105 12.583 8.823 3.576 420 HA MET 105 HA MET 105 10.741 10.944 3.362 421 HB2 MET 105 HB2 MET 105 12.975 10.930 2.306 422 HB3 MET 105 HB3 MET 105 12.431 9.682 1.202 423 HG2 MET 105 HG2 MET 105 10.723 11.248 0.344 424 HG3 MET 105 HG3 MET 105 11.414 12.505 1.367 425 HE1 MET 105 HE1 MET 105 13.307 9.656 -0.619 426 HE2 MET 105 HE2 MET 105 13.647 10.488 -2.138 427 HE3 MET 105 HE3 MET 105 11.982 10.119 -1.688 428 H PHE 106 H PHE 106 10.537 7.632 2.487 429 HA PHE 106 HA PHE 106 8.637 8.048 0.341 430 HB2 PHE 106 HB2 PHE 106 9.752 5.584 1.661 431 HB3 PHE 106 HB3 PHE 106 8.501 5.509 0.431 432 HD1 PHE 106 HD1 PHE 106 9.092 6.884 -1.761 433 HD2 PHE 106 HD2 PHE 106 11.947 5.316 0.994 434 HE1 PHE 106 HE1 PHE 106 10.805 6.916 -3.523 435 HE2 PHE 106 HE2 PHE 106 13.660 5.355 -0.768 436 HZ PHE 106 HZ PHE 106 13.092 6.152 -3.027 437 H LEU 107 H LEU 107 8.629 7.649 3.710 438 HA LEU 107 HA LEU 107 6.372 6.119 4.209 439 HB2 LEU 107 HB2 LEU 107 7.940 6.617 5.935 440 HB3 LEU 107 HB3 LEU 107 7.676 8.340 5.778 441 HG LEU 107 HG LEU 107 5.469 8.124 6.782 442 HD11 LEU 107 HD11 LEU 107 6.062 5.197 7.131 443 HD12 LEU 107 HD12 LEU 107 5.076 5.832 5.820 444 HD13 LEU 107 HD13 LEU 107 4.560 6.054 7.491 445 HD21 LEU 107 HD21 LEU 107 7.529 8.299 8.202 446 HD22 LEU 107 HD22 LEU 107 7.462 6.541 8.391 447 HD23 LEU 107 HD23 LEU 107 6.144 7.548 8.998 448 H ASP 108 H ASP 108 6.578 9.653 3.793 449 HA ASP 108 HA ASP 108 3.851 10.123 4.354 450 HB2 ASP 108 HB2 ASP 108 5.820 11.740 2.719 451 HB3 ASP 108 HB3 ASP 108 4.211 12.301 3.160 452 H GLN 109 H GLN 109 5.582 9.526 1.339 453 HA GLN 109 HA GLN 109 3.487 10.051 -0.442 454 HB2 GLN 109 HB2 GLN 109 5.618 9.949 -1.397 455 HB3 GLN 109 HB3 GLN 109 6.021 8.452 -0.570 456 HG2 GLN 109 HG2 GLN 109 4.411 7.270 -2.003 457 HG3 GLN 109 HG3 GLN 109 4.124 8.771 -2.883 458 HE21 GLN 109 HE21 GLN 109 5.187 6.205 -3.803 459 HE22 GLN 109 HE22 GLN 109 6.740 6.541 -4.482 460 H VAL 110 H VAL 110 4.652 6.926 0.838 461 HA VAL 110 HA VAL 110 2.647 5.381 -0.394 462 HB VAL 110 HB VAL 110 3.240 3.755 1.599 463 HG11 VAL 110 HG11 VAL 110 4.940 2.850 0.277 464 HG12 VAL 110 HG12 VAL 110 5.419 4.438 -0.299 465 HG13 VAL 110 HG13 VAL 110 3.913 3.726 -0.861 466 HG21 VAL 110 HG21 VAL 110 5.280 4.118 2.671 467 HG22 VAL 110 HG22 VAL 110 4.417 5.646 2.808 468 HG23 VAL 110 HG23 VAL 110 5.689 5.463 1.610 469 H ALA 111 H ALA 111 2.843 6.888 2.795 470 HA ALA 111 HA ALA 111 0.504 5.741 3.869 471 HB1 ALA 111 HB1 ALA 111 1.746 8.384 4.597 472 HB2 ALA 111 HB2 ALA 111 2.258 6.813 5.218 473 HB3 ALA 111 HB3 ALA 111 0.643 7.428 5.584 474 H LYS 112 H LYS 112 1.017 8.805 2.126 475 HA LYS 112 HA LYS 112 -1.647 9.712 2.432 476 HB2 LYS 112 HB2 LYS 112 0.583 10.446 0.556 477 HB3 LYS 112 HB3 LYS 112 -1.028 11.129 0.349 478 HG2 LYS 112 HG2 LYS 112 0.666 11.332 2.833 479 HG3 LYS 112 HG3 LYS 112 0.409 12.614 1.642 480 HD2 LYS 112 HD2 LYS 112 -1.950 12.674 2.160 481 HD3 LYS 112 HD3 LYS 112 -1.784 11.290 3.241 482 HE2 LYS 112 HE2 LYS 112 -1.906 13.290 4.559 483 HE3 LYS 112 HE3 LYS 112 -0.272 12.641 4.665 484 HZ1 LYS 112 HZ1 LYS 112 -1.131 14.901 2.932 485 HZ2 LYS 112 HZ2 LYS 112 0.444 14.280 3.029 486 HZ3 LYS 112 HZ3 LYS 112 -0.253 15.034 4.377 487 H PHE 113 H PHE 113 -0.116 7.622 0.029 488 HA PHE 113 HA PHE 113 -2.421 7.550 -1.659 489 HB2 PHE 113 HB2 PHE 113 0.016 6.817 -2.230 490 HB3 PHE 113 HB3 PHE 113 -0.458 5.280 -1.503 491 HD1 PHE 113 HD1 PHE 113 -2.468 4.073 -2.431 492 HD2 PHE 113 HD2 PHE 113 -0.634 7.354 -4.422 493 HE1 PHE 113 HE1 PHE 113 -3.581 3.416 -4.526 494 HE2 PHE 113 HE2 PHE 113 -1.740 6.702 -6.522 495 HZ PHE 113 HZ PHE 113 -3.220 4.733 -6.576 496 H ILE 114 H ILE 114 -1.198 5.545 0.988 497 HA ILE 114 HA ILE 114 -3.152 3.613 1.187 498 HB ILE 114 HB ILE 114 -1.630 5.136 3.271 499 HG12 ILE 114 HG12 ILE 114 -1.458 2.199 2.744 500 HG13 ILE 114 HG13 ILE 114 -0.669 3.327 1.643 501 HG21 ILE 114 HG21 ILE 114 -4.043 3.895 3.787 502 HG22 ILE 114 HG22 ILE 114 -2.804 4.310 4.962 503 HG23 ILE 114 HG23 ILE 114 -2.836 2.697 4.254 504 HD11 ILE 114 HD11 ILE 114 0.671 2.338 3.601 505 HD12 ILE 114 HD12 ILE 114 -0.214 3.515 4.574 506 HD13 ILE 114 HD13 ILE 114 0.800 4.059 3.247 507 H ILE 115 H ILE 115 -3.152 6.895 2.480 508 HA ILE 115 HA ILE 115 -5.635 6.870 3.717 509 HB ILE 115 HB ILE 115 -3.932 9.056 2.590 510 HG12 ILE 115 HG12 ILE 115 -4.819 8.417 5.402 511 HG13 ILE 115 HG13 ILE 115 -3.355 7.781 4.669 512 HG21 ILE 115 HG21 ILE 115 -5.664 10.447 2.473 513 HG22 ILE 115 HG22 ILE 115 -5.854 10.263 4.212 514 HG23 ILE 115 HG23 ILE 115 -6.758 9.226 3.118 515 HD11 ILE 115 HD11 ILE 115 -3.687 10.711 4.615 516 HD12 ILE 115 HD12 ILE 115 -2.248 9.716 4.868 517 HD13 ILE 115 HD13 ILE 115 -3.393 9.961 6.182 518 H ASP 116 H ASP 116 -4.793 7.824 0.374 519 HA ASP 116 HA ASP 116 -7.479 8.528 -0.227 520 HB2 ASP 116 HB2 ASP 116 -5.491 9.344 -1.543 521 HB3 ASP 116 HB3 ASP 116 -5.418 7.747 -2.277 522 H ASN 117 H ASN 117 -5.757 5.547 -0.181 523 HA ASN 117 HA ASN 117 -7.445 4.007 -1.819 524 HB2 ASN 117 HB2 ASN 117 -5.219 3.293 -0.873 525 HB3 ASN 117 HB3 ASN 117 -6.025 3.037 0.670 526 HD21 ASN 117 HD21 ASN 117 -7.404 1.283 0.913 527 HD22 ASN 117 HD22 ASN 117 -7.473 -0.007 -0.232 528 H THR 118 H THR 118 -7.982 5.439 1.252 529 HA THR 118 HA THR 118 -10.514 3.963 1.480 530 HB THR 118 HB THR 118 -10.444 4.872 3.894 531 HG1 THR 118 HG1 THR 118 -7.736 4.760 3.968 532 HG21 THR 118 HG21 THR 118 -8.452 2.767 3.042 533 HG22 THR 118 HG22 THR 118 -10.178 2.506 3.298 534 HG23 THR 118 HG23 THR 118 -9.144 2.956 4.655 535 H LYS 119 H LYS 119 -8.998 7.135 1.389 536 HA LYS 119 HA LYS 119 -11.480 8.480 2.037 537 HB2 LYS 119 HB2 LYS 119 -10.238 10.326 2.504 538 HB3 LYS 119 HB3 LYS 119 -8.940 9.144 2.631 539 HG2 LYS 119 HG2 LYS 119 -7.876 10.554 1.258 540 HG3 LYS 119 HG3 LYS 119 -8.820 9.742 0.003 541 HD2 LYS 119 HD2 LYS 119 -10.537 11.478 0.174 542 HD3 LYS 119 HD3 LYS 119 -9.589 12.291 1.420 543 HE2 LYS 119 HE2 LYS 119 -8.647 11.770 -1.396 544 HE3 LYS 119 HE3 LYS 119 -9.333 13.297 -0.834 545 HZ1 LYS 119 HZ1 LYS 119 -7.072 13.639 -0.652 546 HZ2 LYS 119 HZ2 LYS 119 -6.755 12.056 -0.139 547 HZ3 LYS 119 HZ3 LYS 119 -7.471 13.160 0.925 548 H GLY 120 H GLY 120 -9.538 7.882 -0.841 549 HA2 GLY 120 HA2 GLY 120 -11.434 9.530 -2.402 550 HA3 GLY 120 HA3 GLY 120 -9.755 9.253 -2.873 551 H GLN 121 H GLN 121 -9.181 6.919 -3.220 552 HA GLN 121 HA GLN 121 -9.405 4.989 -4.402 553 HB2 GLN 121 HB2 GLN 121 -12.358 5.199 -3.792 554 HB3 GLN 121 HB3 GLN 121 -11.518 3.774 -4.378 555 HG2 GLN 121 HG2 GLN 121 -10.222 3.706 -2.289 556 HG3 GLN 121 HG3 GLN 121 -11.137 5.096 -1.702 557 HE21 GLN 121 HE21 GLN 121 -10.946 2.396 -0.623 558 HE22 GLN 121 HE22 GLN 121 -12.564 1.771 -0.576 559 H MET 122 H MET 122 -9.783 7.691 -5.630 560 HA MET 122 HA MET 122 -11.081 6.784 -8.093 561 HB2 MET 122 HB2 MET 122 -12.836 7.915 -6.839 562 HB3 MET 122 HB3 MET 122 -11.816 9.336 -6.652 563 HG2 MET 122 HG2 MET 122 -13.462 9.701 -8.380 564 HG3 MET 122 HG3 MET 122 -11.847 9.666 -9.079 565 HE1 MET 122 HE1 MET 122 -15.233 7.713 -8.623 566 HE2 MET 122 HE2 MET 122 -14.047 6.642 -7.875 567 HE3 MET 122 HE3 MET 122 -14.845 6.167 -9.376 568 H LEU 123 H LEU 123 -9.678 9.779 -6.730 569 HA LEU 123 HA LEU 123 -8.275 10.082 -9.303 570 HB2 LEU 123 HB2 LEU 123 -9.389 12.183 -7.455 571 HB3 LEU 123 HB3 LEU 123 -8.342 12.544 -8.814 572 HG LEU 123 HG LEU 123 -11.089 11.308 -8.950 573 HD11 LEU 123 HD11 LEU 123 -10.048 13.988 -9.843 574 HD12 LEU 123 HD12 LEU 123 -11.106 13.690 -8.465 575 HD13 LEU 123 HD13 LEU 123 -11.683 13.375 -10.103 576 HD21 LEU 123 HD21 LEU 123 -9.853 10.315 -10.688 577 HD22 LEU 123 HD22 LEU 123 -9.009 11.817 -11.052 578 HD23 LEU 123 HD23 LEU 123 -10.724 11.653 -11.440 579 H GLY 124 H GLY 124 -7.934 9.955 -5.876 580 HA2 GLY 124 HA2 GLY 124 -5.915 9.707 -4.714 581 HA3 GLY 124 HA3 GLY 124 -5.039 10.193 -6.164 582 H LEU 125 H LEU 125 -6.893 11.303 -3.419 583 HA LEU 125 HA LEU 125 -6.882 13.224 -2.232 584 HB2 LEU 125 HB2 LEU 125 -4.474 13.833 -3.933 585 HB3 LEU 125 HB3 LEU 125 -5.099 14.969 -2.754 586 HG LEU 125 HG LEU 125 -4.802 13.072 -1.045 587 HD11 LEU 125 HD11 LEU 125 -3.001 12.042 -3.230 588 HD12 LEU 125 HD12 LEU 125 -4.455 11.249 -2.624 589 HD13 LEU 125 HD13 LEU 125 -3.056 11.451 -1.570 590 HD21 LEU 125 HD21 LEU 125 -3.440 15.032 -0.995 591 HD22 LEU 125 HD22 LEU 125 -2.485 14.464 -2.363 592 HD23 LEU 125 HD23 LEU 125 -2.381 13.633 -0.808 593 H GLY 126 H GLY 126 -5.831 14.556 -5.354 594 HA2 GLY 126 HA2 GLY 126 -7.358 15.570 -6.917 595 HA3 GLY 126 HA3 GLY 126 -8.476 15.836 -5.584 596 H ASN 127 H ASN 127 -6.001 17.118 -7.468 597 HA ASN 127 HA ASN 127 -4.840 19.058 -7.523 598 HB2 ASN 127 HB2 ASN 127 -7.171 19.999 -7.234 599 HB3 ASN 127 HB3 ASN 127 -6.836 20.129 -5.511 600 HD21 ASN 127 HD21 ASN 127 -5.408 21.696 -4.779 601 HD22 ASN 127 HD22 ASN 127 -4.870 22.996 -5.789 602 HA PRO 128 HA PRO 128 -2.727 17.874 -3.540 603 HB2 PRO 128 HB2 PRO 128 -0.442 17.325 -5.287 604 HB3 PRO 128 HB3 PRO 128 -1.245 16.259 -4.132 605 HG2 PRO 128 HG2 PRO 128 -1.430 15.893 -6.800 606 HG3 PRO 128 HG3 PRO 128 -2.752 15.484 -5.690 607 HD2 PRO 128 HD2 PRO 128 -2.420 17.902 -7.435 608 HD3 PRO 128 HD3 PRO 128 -3.872 16.921 -7.134 Start of MODEL 10 1 H1 ALA 49 H1 ALA 49 -9.834 -22.003 -2.080 2 H2 ALA 49 H2 ALA 49 -9.427 -23.596 -2.491 3 H3 ALA 49 H3 ALA 49 -10.275 -23.276 -1.057 4 HA ALA 49 HA ALA 49 -11.306 -22.728 -3.776 5 HB1 ALA 49 HB1 ALA 49 -11.939 -25.021 -1.922 6 HB2 ALA 49 HB2 ALA 49 -11.041 -25.129 -3.437 7 HB3 ALA 49 HB3 ALA 49 -12.746 -24.681 -3.451 8 H ASN 50 H ASN 50 -11.254 -20.880 -1.629 9 HA ASN 50 HA ASN 50 -13.696 -21.017 -0.141 10 HB2 ASN 50 HB2 ASN 50 -11.593 -19.802 0.599 11 HB3 ASN 50 HB3 ASN 50 -11.977 -18.570 -0.601 12 HD21 ASN 50 HD21 ASN 50 -12.201 -16.992 0.993 13 HD22 ASN 50 HD22 ASN 50 -13.581 -16.940 2.040 14 H GLN 51 H GLN 51 -15.506 -19.650 -0.367 15 HA GLN 51 HA GLN 51 -16.313 -19.436 -3.104 16 HB2 GLN 51 HB2 GLN 51 -17.727 -18.764 -0.522 17 HB3 GLN 51 HB3 GLN 51 -18.466 -18.565 -2.104 18 HG2 GLN 51 HG2 GLN 51 -19.242 -20.621 -1.300 19 HG3 GLN 51 HG3 GLN 51 -18.002 -21.019 -2.488 20 HE21 GLN 51 HE21 GLN 51 -17.357 -19.862 0.765 21 HE22 GLN 51 HE22 GLN 51 -16.662 -21.343 1.352 22 H GLN 52 H GLN 52 -14.751 -17.309 -1.007 23 HA GLN 52 HA GLN 52 -15.291 -15.123 -2.862 24 HB2 GLN 52 HB2 GLN 52 -15.434 -13.517 -0.949 25 HB3 GLN 52 HB3 GLN 52 -16.797 -14.615 -1.089 26 HG2 GLN 52 HG2 GLN 52 -15.719 -16.031 0.671 27 HG3 GLN 52 HG3 GLN 52 -14.537 -14.740 0.889 28 HE21 GLN 52 HE21 GLN 52 -17.895 -14.194 0.107 29 HE22 GLN 52 HE22 GLN 52 -18.333 -13.477 1.620 30 H THR 53 H THR 53 -13.555 -14.104 -3.493 31 HA THR 53 HA THR 53 -11.206 -13.872 -1.806 32 HB THR 53 HB THR 53 -10.945 -15.218 -4.512 33 HG1 THR 53 HG1 THR 53 -11.542 -16.251 -2.029 34 HG21 THR 53 HG21 THR 53 -8.974 -14.854 -2.247 35 HG22 THR 53 HG22 THR 53 -8.960 -13.980 -3.778 36 HG23 THR 53 HG23 THR 53 -8.665 -15.719 -3.754 37 H SER 54 H SER 54 -12.680 -11.811 -2.402 38 HA SER 54 HA SER 54 -11.502 -10.548 -4.794 39 HB2 SER 54 HB2 SER 54 -14.146 -9.880 -3.477 40 HB3 SER 54 HB3 SER 54 -13.517 -9.211 -4.983 41 HG SER 54 HG SER 54 -15.047 -10.923 -5.294 42 H GLY 55 H GLY 55 -10.736 -8.447 -4.636 43 HA2 GLY 55 HA2 GLY 55 -9.994 -6.515 -3.625 44 HA3 GLY 55 HA3 GLY 55 -11.052 -6.874 -2.268 45 H LYS 56 H LYS 56 -8.710 -9.237 -3.295 46 HA LYS 56 HA LYS 56 -6.937 -8.416 -1.111 47 HB2 LYS 56 HB2 LYS 56 -7.841 -11.210 -1.801 48 HB3 LYS 56 HB3 LYS 56 -6.527 -10.827 -0.709 49 HG2 LYS 56 HG2 LYS 56 -9.307 -9.803 -0.271 50 HG3 LYS 56 HG3 LYS 56 -8.755 -11.360 0.351 51 HD2 LYS 56 HD2 LYS 56 -7.014 -10.255 1.624 52 HD3 LYS 56 HD3 LYS 56 -7.476 -8.691 0.944 53 HE2 LYS 56 HE2 LYS 56 -9.659 -8.874 1.973 54 HE3 LYS 56 HE3 LYS 56 -9.243 -10.458 2.623 55 HZ1 LYS 56 HZ1 LYS 56 -7.390 -9.324 3.833 56 HZ2 LYS 56 HZ2 LYS 56 -8.945 -8.910 4.361 57 HZ3 LYS 56 HZ3 LYS 56 -8.070 -7.837 3.380 58 H VAL 57 H VAL 57 -4.776 -8.740 -1.422 59 HA VAL 57 HA VAL 57 -3.883 -9.463 -4.143 60 HB VAL 57 HB VAL 57 -2.457 -7.620 -2.226 61 HG11 VAL 57 HG11 VAL 57 -2.095 -8.303 -5.121 62 HG12 VAL 57 HG12 VAL 57 -0.925 -8.390 -3.794 63 HG13 VAL 57 HG13 VAL 57 -1.437 -6.826 -4.417 64 HG21 VAL 57 HG21 VAL 57 -3.493 -5.768 -3.003 65 HG22 VAL 57 HG22 VAL 57 -4.829 -6.912 -3.125 66 HG23 VAL 57 HG23 VAL 57 -3.892 -6.494 -4.562 67 H LEU 58 H LEU 58 -2.099 -10.838 -4.295 68 HA LEU 58 HA LEU 58 -1.141 -11.984 -1.770 69 HB2 LEU 58 HB2 LEU 58 -2.052 -13.516 -3.500 70 HB3 LEU 58 HB3 LEU 58 -0.774 -13.009 -4.589 71 HG LEU 58 HG LEU 58 0.820 -13.829 -2.706 72 HD11 LEU 58 HD11 LEU 58 -1.478 -15.624 -2.051 73 HD12 LEU 58 HD12 LEU 58 -1.281 -14.092 -1.200 74 HD13 LEU 58 HD13 LEU 58 -0.000 -15.311 -1.134 75 HD21 LEU 58 HD21 LEU 58 0.581 -14.878 -4.917 76 HD22 LEU 58 HD22 LEU 58 -0.804 -15.797 -4.322 77 HD23 LEU 58 HD23 LEU 58 0.798 -16.078 -3.640 78 H TYR 59 H TYR 59 0.837 -11.525 -1.058 79 HA TYR 59 HA TYR 59 2.909 -10.763 -2.986 80 HB2 TYR 59 HB2 TYR 59 3.480 -8.774 -1.978 81 HB3 TYR 59 HB3 TYR 59 1.745 -8.763 -1.687 82 HD1 TYR 59 HD1 TYR 59 0.980 -9.780 0.594 83 HD2 TYR 59 HD2 TYR 59 4.927 -8.446 -0.222 84 HE1 TYR 59 HE1 TYR 59 1.435 -9.648 3.012 85 HE2 TYR 59 HE2 TYR 59 5.385 -8.285 2.185 86 HH TYR 59 HH TYR 59 3.348 -9.648 4.539 87 H GLU 60 H GLU 60 4.552 -12.095 -2.762 88 HA GLU 60 HA GLU 60 6.006 -13.628 -1.927 89 HB2 GLU 60 HB2 GLU 60 5.667 -12.100 0.641 90 HB3 GLU 60 HB3 GLU 60 7.007 -13.165 0.234 91 HG2 GLU 60 HG2 GLU 60 7.719 -11.690 -1.509 92 HG3 GLU 60 HG3 GLU 60 6.291 -10.676 -1.274 93 H GLY 61 H GLY 61 3.074 -14.107 -1.583 94 HA2 GLY 61 HA2 GLY 61 2.210 -16.277 -1.057 95 HA3 GLY 61 HA3 GLY 61 3.394 -16.395 0.230 96 H LYS 62 H LYS 62 2.561 -13.490 0.945 97 HA LYS 62 HA LYS 62 0.363 -14.339 2.673 98 HB2 LYS 62 HB2 LYS 62 2.363 -13.062 3.596 99 HB3 LYS 62 HB3 LYS 62 1.756 -11.665 2.722 100 HG2 LYS 62 HG2 LYS 62 -0.270 -11.666 3.994 101 HG3 LYS 62 HG3 LYS 62 0.177 -13.185 4.772 102 HD2 LYS 62 HD2 LYS 62 1.757 -10.633 5.031 103 HD3 LYS 62 HD3 LYS 62 0.517 -11.143 6.179 104 HE2 LYS 62 HE2 LYS 62 1.858 -13.317 6.371 105 HE3 LYS 62 HE3 LYS 62 3.160 -12.439 5.567 106 HZ1 LYS 62 HZ1 LYS 62 1.857 -11.696 8.134 107 HZ2 LYS 62 HZ2 LYS 62 3.042 -10.772 7.351 108 HZ3 LYS 62 HZ3 LYS 62 3.427 -12.314 7.946 109 H GLU 63 H GLU 63 -1.541 -13.098 2.878 110 HA GLU 63 HA GLU 63 -2.259 -11.744 0.372 111 HB2 GLU 63 HB2 GLU 63 -3.815 -13.521 2.208 112 HB3 GLU 63 HB3 GLU 63 -4.634 -12.430 1.101 113 HG2 GLU 63 HG2 GLU 63 -3.712 -13.524 -0.786 114 HG3 GLU 63 HG3 GLU 63 -2.593 -14.446 0.217 115 H PHE 64 H PHE 64 -2.985 -9.767 0.417 116 HA PHE 64 HA PHE 64 -3.882 -8.583 2.956 117 HB2 PHE 64 HB2 PHE 64 -1.702 -7.719 1.162 118 HB3 PHE 64 HB3 PHE 64 -2.750 -6.442 1.735 119 HD1 PHE 64 HD1 PHE 64 -2.901 -5.979 4.157 120 HD2 PHE 64 HD2 PHE 64 -0.162 -8.817 2.589 121 HE1 PHE 64 HE1 PHE 64 -1.642 -5.928 6.270 122 HE2 PHE 64 HE2 PHE 64 1.094 -8.785 4.702 123 HZ PHE 64 HZ PHE 64 0.357 -7.331 6.544 124 H ASP 65 H ASP 65 -5.031 -6.411 2.435 125 HA ASP 65 HA ASP 65 -7.118 -6.945 0.596 126 HB2 ASP 65 HB2 ASP 65 -6.393 -4.476 2.169 127 HB3 ASP 65 HB3 ASP 65 -7.730 -4.489 1.023 128 H TYR 66 H TYR 66 -4.976 -4.106 0.577 129 HA TYR 66 HA TYR 66 -4.768 -4.394 -2.342 130 HB2 TYR 66 HB2 TYR 66 -5.467 -1.891 -0.795 131 HB3 TYR 66 HB3 TYR 66 -4.934 -1.868 -2.472 132 HD1 TYR 66 HD1 TYR 66 -7.670 -2.706 -0.194 133 HD2 TYR 66 HD2 TYR 66 -6.387 -2.660 -4.248 134 HE1 TYR 66 HE1 TYR 66 -9.993 -3.040 -0.926 135 HE2 TYR 66 HE2 TYR 66 -8.706 -2.990 -4.992 136 HH TYR 66 HH TYR 66 -10.809 -3.823 -4.171 137 H VAL 67 H VAL 67 -2.611 -5.128 -2.179 138 HA VAL 67 HA VAL 67 -0.712 -3.396 -0.858 139 HB VAL 67 HB VAL 67 0.901 -4.964 -1.136 140 HG11 VAL 67 HG11 VAL 67 -1.002 -5.999 0.010 141 HG12 VAL 67 HG12 VAL 67 0.015 -7.180 -0.810 142 HG13 VAL 67 HG13 VAL 67 -1.529 -6.700 -1.522 143 HG21 VAL 67 HG21 VAL 67 -0.196 -6.446 -3.447 144 HG22 VAL 67 HG22 VAL 67 1.480 -6.103 -3.004 145 HG23 VAL 67 HG23 VAL 67 0.488 -4.853 -3.756 146 H PHE 68 H PHE 68 0.429 -1.819 -1.781 147 HA PHE 68 HA PHE 68 -0.401 -1.018 -4.453 148 HB2 PHE 68 HB2 PHE 68 -0.417 0.596 -2.558 149 HB3 PHE 68 HB3 PHE 68 1.320 0.405 -2.404 150 HD1 PHE 68 HD1 PHE 68 -0.876 0.899 -5.385 151 HD2 PHE 68 HD2 PHE 68 2.336 2.349 -2.997 152 HE1 PHE 68 HE1 PHE 68 -0.500 2.719 -7.001 153 HE2 PHE 68 HE2 PHE 68 2.713 4.172 -4.609 154 HZ PHE 68 HZ PHE 68 1.297 4.359 -6.612 155 H SER 69 H SER 69 1.108 -0.539 -6.142 156 HA SER 69 HA SER 69 3.601 -2.037 -5.830 157 HB2 SER 69 HB2 SER 69 2.193 -2.814 -7.648 158 HB3 SER 69 HB3 SER 69 2.128 -1.199 -8.329 159 HG SER 69 HG SER 69 3.752 -2.016 -9.458 160 H ILE 70 H ILE 70 5.339 -1.000 -5.485 161 HA ILE 70 HA ILE 70 5.541 1.875 -5.946 162 HB ILE 70 HB ILE 70 7.380 -0.013 -4.495 163 HG12 ILE 70 HG12 ILE 70 5.239 0.144 -3.372 164 HG13 ILE 70 HG13 ILE 70 6.466 1.019 -2.478 165 HG21 ILE 70 HG21 ILE 70 8.489 1.934 -3.632 166 HG22 ILE 70 HG22 ILE 70 7.346 2.992 -4.449 167 HG23 ILE 70 HG23 ILE 70 8.474 2.027 -5.394 168 HD11 ILE 70 HD11 ILE 70 5.627 3.119 -3.601 169 HD12 ILE 70 HD12 ILE 70 4.576 2.394 -2.379 170 HD13 ILE 70 HD13 ILE 70 4.235 2.158 -4.103 171 H ASP 71 H ASP 71 6.495 2.518 -7.832 172 HA ASP 71 HA ASP 71 8.505 0.723 -9.015 173 HB2 ASP 71 HB2 ASP 71 6.704 2.751 -10.339 174 HB3 ASP 71 HB3 ASP 71 8.072 2.004 -11.155 175 H VAL 72 H VAL 72 10.506 1.428 -9.378 176 HA VAL 72 HA VAL 72 11.103 4.267 -9.152 177 HB VAL 72 HB VAL 72 11.318 3.488 -6.860 178 HG11 VAL 72 HG11 VAL 72 13.118 1.821 -6.303 179 HG12 VAL 72 HG12 VAL 72 13.169 1.429 -8.023 180 HG13 VAL 72 HG13 VAL 72 11.690 1.163 -7.103 181 HG21 VAL 72 HG21 VAL 72 13.653 4.141 -6.435 182 HG22 VAL 72 HG22 VAL 72 12.862 5.208 -7.596 183 HG23 VAL 72 HG23 VAL 72 13.997 3.981 -8.158 184 H ASN 73 H ASN 73 12.232 1.001 -9.875 185 HA ASN 73 HA ASN 73 14.261 2.179 -11.647 186 HB2 ASN 73 HB2 ASN 73 15.170 0.787 -9.812 187 HB3 ASN 73 HB3 ASN 73 14.241 -0.581 -10.412 188 HD21 ASN 73 HD21 ASN 73 15.860 1.778 -12.461 189 HD22 ASN 73 HD22 ASN 73 17.049 0.681 -13.084 190 H GLU 74 H GLU 74 13.873 2.020 -13.730 191 HA GLU 74 HA GLU 74 11.679 0.565 -14.775 192 HB2 GLU 74 HB2 GLU 74 12.535 1.295 -16.986 193 HB3 GLU 74 HB3 GLU 74 12.334 2.618 -15.844 194 HG2 GLU 74 HG2 GLU 74 14.954 1.278 -16.051 195 HG3 GLU 74 HG3 GLU 74 14.483 2.409 -17.321 196 H GLY 75 H GLY 75 11.551 -1.474 -15.406 197 HA2 GLY 75 HA2 GLY 75 12.196 -3.597 -16.046 198 HA3 GLY 75 HA3 GLY 75 13.752 -2.928 -16.517 199 H GLY 76 H GLY 76 13.055 -2.030 -13.407 200 HA2 GLY 76 HA2 GLY 76 14.812 -4.138 -12.347 201 HA3 GLY 76 HA3 GLY 76 14.704 -2.501 -11.713 202 HA PRO 77 HA PRO 77 12.152 -5.385 -9.107 203 HB2 PRO 77 HB2 PRO 77 12.877 -4.218 -6.738 204 HB3 PRO 77 HB3 PRO 77 13.753 -5.558 -7.486 205 HG2 PRO 77 HG2 PRO 77 14.357 -2.630 -7.536 206 HG3 PRO 77 HG3 PRO 77 15.466 -4.002 -7.352 207 HD2 PRO 77 HD2 PRO 77 15.173 -2.700 -9.698 208 HD3 PRO 77 HD3 PRO 77 15.496 -4.443 -9.620 209 H SER 78 H SER 78 10.089 -4.945 -8.776 210 HA SER 78 HA SER 78 9.281 -2.195 -8.150 211 HB2 SER 78 HB2 SER 78 7.661 -4.532 -9.206 212 HB3 SER 78 HB3 SER 78 6.990 -2.954 -8.797 213 HG SER 78 HG SER 78 7.847 -2.101 -10.548 214 H TYR 79 H TYR 79 8.258 -1.744 -6.279 215 HA TYR 79 HA TYR 79 8.508 -3.797 -4.213 216 HB2 TYR 79 HB2 TYR 79 8.110 -0.794 -4.035 217 HB3 TYR 79 HB3 TYR 79 8.336 -1.873 -2.658 218 HD1 TYR 79 HD1 TYR 79 10.516 -3.625 -3.804 219 HD2 TYR 79 HD2 TYR 79 9.982 0.595 -3.861 220 HE1 TYR 79 HE1 TYR 79 12.950 -3.326 -4.006 221 HE2 TYR 79 HE2 TYR 79 12.410 0.905 -4.066 222 HH TYR 79 HH TYR 79 14.479 -0.377 -3.487 223 H LYS 80 H LYS 80 6.734 -4.113 -2.668 224 HA LYS 80 HA LYS 80 4.183 -3.075 -3.681 225 HB2 LYS 80 HB2 LYS 80 4.577 -5.848 -2.518 226 HB3 LYS 80 HB3 LYS 80 3.048 -5.165 -3.053 227 HG2 LYS 80 HG2 LYS 80 5.424 -5.873 -4.763 228 HG3 LYS 80 HG3 LYS 80 3.855 -6.677 -4.721 229 HD2 LYS 80 HD2 LYS 80 4.033 -3.776 -5.396 230 HD3 LYS 80 HD3 LYS 80 4.402 -4.979 -6.630 231 HE2 LYS 80 HE2 LYS 80 1.813 -4.631 -5.121 232 HE3 LYS 80 HE3 LYS 80 2.104 -4.276 -6.812 233 HZ1 LYS 80 HZ1 LYS 80 2.235 -6.992 -5.605 234 HZ2 LYS 80 HZ2 LYS 80 2.468 -6.608 -7.241 235 HZ3 LYS 80 HZ3 LYS 80 0.948 -6.377 -6.529 236 H LEU 81 H LEU 81 2.718 -2.392 -2.220 237 HA LEU 81 HA LEU 81 3.652 -2.166 0.580 238 HB2 LEU 81 HB2 LEU 81 3.356 -0.150 -1.129 239 HB3 LEU 81 HB3 LEU 81 1.692 -0.269 -0.635 240 HG LEU 81 HG LEU 81 4.040 0.751 0.828 241 HD11 LEU 81 HD11 LEU 81 2.439 2.339 1.638 242 HD12 LEU 81 HD12 LEU 81 1.115 1.379 0.992 243 HD13 LEU 81 HD13 LEU 81 2.249 2.157 -0.105 244 HD21 LEU 81 HD21 LEU 81 3.002 0.334 3.021 245 HD22 LEU 81 HD22 LEU 81 3.510 -1.155 2.224 246 HD23 LEU 81 HD23 LEU 81 1.805 -0.703 2.242 247 HA PRO 82 HA PRO 82 -0.248 -4.688 0.695 248 HB2 PRO 82 HB2 PRO 82 1.041 -5.402 3.269 249 HB3 PRO 82 HB3 PRO 82 0.293 -6.442 2.055 250 HG2 PRO 82 HG2 PRO 82 2.907 -6.370 2.268 251 HG3 PRO 82 HG3 PRO 82 2.152 -6.370 0.661 252 HD2 PRO 82 HD2 PRO 82 3.298 -4.052 2.189 253 HD3 PRO 82 HD3 PRO 82 3.487 -4.466 0.478 254 H TYR 83 H TYR 83 -1.897 -3.397 1.148 255 HA TYR 83 HA TYR 83 -1.989 -2.022 3.741 256 HB2 TYR 83 HB2 TYR 83 -1.742 -0.300 2.194 257 HB3 TYR 83 HB3 TYR 83 -2.668 -1.138 0.956 258 HD1 TYR 83 HD1 TYR 83 -3.241 0.195 4.394 259 HD2 TYR 83 HD2 TYR 83 -4.677 -0.183 0.417 260 HE1 TYR 83 HE1 TYR 83 -5.207 1.562 4.979 261 HE2 TYR 83 HE2 TYR 83 -6.648 1.175 0.983 262 HH TYR 83 HH TYR 83 -6.880 2.884 3.997 263 H ASN 84 H ASN 84 -3.659 -2.581 5.016 264 HA ASN 84 HA ASN 84 -6.060 -3.787 3.808 265 HB2 ASN 84 HB2 ASN 84 -5.435 -3.489 6.758 266 HB3 ASN 84 HB3 ASN 84 -6.734 -4.432 6.042 267 HD21 ASN 84 HD21 ASN 84 -6.197 -6.346 4.894 268 HD22 ASN 84 HD22 ASN 84 -4.732 -7.193 5.276 269 H THR 85 H THR 85 -8.039 -2.776 4.000 270 HA THR 85 HA THR 85 -7.905 0.042 3.976 271 HB THR 85 HB THR 85 -10.394 -0.101 3.711 272 HG1 THR 85 HG1 THR 85 -11.186 -1.890 4.570 273 HG21 THR 85 HG21 THR 85 -8.471 -0.555 1.924 274 HG22 THR 85 HG22 THR 85 -10.182 -0.683 1.512 275 HG23 THR 85 HG23 THR 85 -9.249 -2.137 1.874 276 H SER 86 H SER 86 -8.121 -2.059 6.566 277 HA SER 86 HA SER 86 -9.524 -0.146 8.276 278 HB2 SER 86 HB2 SER 86 -9.392 -2.088 9.921 279 HB3 SER 86 HB3 SER 86 -10.399 -2.346 8.499 280 HG SER 86 HG SER 86 -8.022 -3.554 9.252 281 H ASP 87 H ASP 87 -6.531 -0.358 7.220 282 HA ASP 87 HA ASP 87 -5.243 -0.168 9.861 283 HB2 ASP 87 HB2 ASP 87 -4.237 -1.133 7.201 284 HB3 ASP 87 HB3 ASP 87 -3.109 -0.570 8.434 285 H ASP 88 H ASP 88 -3.546 1.352 10.150 286 HA ASP 88 HA ASP 88 -4.306 3.924 9.099 287 HB2 ASP 88 HB2 ASP 88 -2.151 3.164 11.078 288 HB3 ASP 88 HB3 ASP 88 -2.600 4.809 10.664 289 HA PRO 89 HA PRO 89 -1.543 4.275 5.744 290 HB2 PRO 89 HB2 PRO 89 -0.786 6.926 6.078 291 HB3 PRO 89 HB3 PRO 89 -2.233 6.382 5.230 292 HG2 PRO 89 HG2 PRO 89 -1.938 7.370 8.031 293 HG3 PRO 89 HG3 PRO 89 -3.246 7.656 6.871 294 HD2 PRO 89 HD2 PRO 89 -3.535 5.926 8.868 295 HD3 PRO 89 HD3 PRO 89 -4.219 5.582 7.271 296 H TRP 90 H TRP 90 -0.291 6.180 8.463 297 HA TRP 90 HA TRP 90 2.382 5.948 7.650 298 HB2 TRP 90 HB2 TRP 90 2.960 6.958 9.775 299 HB3 TRP 90 HB3 TRP 90 1.550 7.761 9.100 300 HD1 TRP 90 HD1 TRP 90 -0.904 6.826 10.228 301 HE1 TRP 90 HE1 TRP 90 -1.377 6.348 12.716 302 HE3 TRP 90 HE3 TRP 90 3.914 6.298 11.874 303 HZ2 TRP 90 HZ2 TRP 90 0.105 5.826 15.060 304 HZ3 TRP 90 HZ3 TRP 90 4.297 5.817 14.256 305 HH2 TRP 90 HH2 TRP 90 2.431 5.587 15.815 306 H LEU 91 H LEU 91 0.371 3.824 9.517 307 HA LEU 91 HA LEU 91 2.565 2.345 10.641 308 HB2 LEU 91 HB2 LEU 91 -0.349 1.616 10.333 309 HB3 LEU 91 HB3 LEU 91 0.828 0.674 11.225 310 HG LEU 91 HG LEU 91 -0.125 3.451 11.910 311 HD11 LEU 91 HD11 LEU 91 -0.481 0.798 13.301 312 HD12 LEU 91 HD12 LEU 91 -1.730 1.696 12.438 313 HD13 LEU 91 HD13 LEU 91 -1.022 2.363 13.910 314 HD21 LEU 91 HD21 LEU 91 1.324 3.311 13.837 315 HD22 LEU 91 HD22 LEU 91 2.271 3.110 12.360 316 HD23 LEU 91 HD23 LEU 91 1.868 1.705 13.347 317 H THR 92 H THR 92 0.141 1.672 8.146 318 HA THR 92 HA THR 92 1.142 -0.726 7.188 319 HB THR 92 HB THR 92 -0.283 1.476 5.691 320 HG1 THR 92 HG1 THR 92 -1.136 -0.727 7.239 321 HG21 THR 92 HG21 THR 92 0.772 -0.034 4.116 322 HG22 THR 92 HG22 THR 92 -0.975 -0.292 4.123 323 HG23 THR 92 HG23 THR 92 0.090 -1.426 4.958 324 H ALA 93 H ALA 93 1.924 2.580 6.234 325 HA ALA 93 HA ALA 93 3.611 1.855 4.067 326 HB1 ALA 93 HB1 ALA 93 2.499 3.995 4.126 327 HB2 ALA 93 HB2 ALA 93 4.246 4.240 4.126 328 HB3 ALA 93 HB3 ALA 93 3.332 4.423 5.619 329 H TYR 94 H TYR 94 4.094 2.693 7.443 330 HA TYR 94 HA TYR 94 6.904 2.813 7.466 331 HB2 TYR 94 HB2 TYR 94 5.222 3.486 9.301 332 HB3 TYR 94 HB3 TYR 94 5.223 1.785 9.746 333 HD1 TYR 94 HD1 TYR 94 7.379 0.705 10.386 334 HD2 TYR 94 HD2 TYR 94 6.968 4.911 10.028 335 HE1 TYR 94 HE1 TYR 94 9.396 0.996 11.765 336 HE2 TYR 94 HE2 TYR 94 8.992 5.227 11.405 337 HH TYR 94 HH TYR 94 10.242 3.875 13.179 338 H ASN 95 H ASN 95 4.609 0.179 8.007 339 HA ASN 95 HA ASN 95 6.314 -1.889 8.699 340 HB2 ASN 95 HB2 ASN 95 3.811 -1.997 8.640 341 HB3 ASN 95 HB3 ASN 95 3.900 -2.122 6.887 342 HD21 ASN 95 HD21 ASN 95 2.958 -4.122 6.803 343 HD22 ASN 95 HD22 ASN 95 3.742 -5.556 7.364 344 H PHE 96 H PHE 96 5.220 -0.985 5.431 345 HA PHE 96 HA PHE 96 6.935 -2.803 4.099 346 HB2 PHE 96 HB2 PHE 96 5.083 -2.068 2.867 347 HB3 PHE 96 HB3 PHE 96 5.398 -0.371 3.224 348 HD1 PHE 96 HD1 PHE 96 7.122 -3.261 1.577 349 HD2 PHE 96 HD2 PHE 96 6.228 0.894 1.537 350 HE1 PHE 96 HE1 PHE 96 8.344 -3.020 -0.542 351 HE2 PHE 96 HE2 PHE 96 7.441 1.143 -0.582 352 HZ PHE 96 HZ PHE 96 8.504 -0.815 -1.623 353 H LEU 97 H LEU 97 7.302 0.559 5.056 354 HA LEU 97 HA LEU 97 9.611 1.124 3.578 355 HB2 LEU 97 HB2 LEU 97 7.976 2.505 5.305 356 HB3 LEU 97 HB3 LEU 97 9.498 2.439 6.177 357 HG LEU 97 HG LEU 97 10.624 3.386 4.162 358 HD11 LEU 97 HD11 LEU 97 7.809 3.865 3.203 359 HD12 LEU 97 HD12 LEU 97 8.879 2.611 2.578 360 HD13 LEU 97 HD13 LEU 97 9.310 4.313 2.388 361 HD21 LEU 97 HD21 LEU 97 9.655 4.708 6.144 362 HD22 LEU 97 HD22 LEU 97 8.400 5.204 5.000 363 HD23 LEU 97 HD23 LEU 97 10.092 5.584 4.677 364 H GLN 98 H GLN 98 9.246 -0.113 6.894 365 HA GLN 98 HA GLN 98 12.085 -0.305 7.265 366 HB2 GLN 98 HB2 GLN 98 11.592 -1.388 9.361 367 HB3 GLN 98 HB3 GLN 98 10.518 -0.012 9.156 368 HG2 GLN 98 HG2 GLN 98 8.715 -1.482 8.499 369 HG3 GLN 98 HG3 GLN 98 9.788 -2.874 8.611 370 HE21 GLN 98 HE21 GLN 98 7.304 -2.347 10.031 371 HE22 GLN 98 HE22 GLN 98 7.693 -2.396 11.713 372 H LYS 99 H LYS 99 9.614 -2.329 5.967 373 HA LYS 99 HA LYS 99 10.903 -4.843 6.187 374 HB2 LYS 99 HB2 LYS 99 8.533 -4.698 5.754 375 HB3 LYS 99 HB3 LYS 99 8.824 -3.827 4.253 376 HG2 LYS 99 HG2 LYS 99 10.297 -6.122 3.934 377 HG3 LYS 99 HG3 LYS 99 8.852 -6.674 4.783 378 HD2 LYS 99 HD2 LYS 99 7.449 -5.583 3.100 379 HD3 LYS 99 HD3 LYS 99 8.901 -5.013 2.271 380 HE2 LYS 99 HE2 LYS 99 7.929 -7.001 1.198 381 HE3 LYS 99 HE3 LYS 99 9.563 -7.285 1.796 382 HZ1 LYS 99 HZ1 LYS 99 7.182 -7.995 3.394 383 HZ2 LYS 99 HZ2 LYS 99 8.771 -8.564 3.563 384 HZ3 LYS 99 HZ3 LYS 99 7.825 -9.057 2.239 385 H ASN 100 H ASN 100 10.817 -2.400 3.613 386 HA ASN 100 HA ASN 100 12.657 -4.028 2.022 387 HB2 ASN 100 HB2 ASN 100 10.514 -2.749 1.149 388 HB3 ASN 100 HB3 ASN 100 11.626 -1.387 1.084 389 HD21 ASN 100 HD21 ASN 100 13.393 -1.461 -0.331 390 HD22 ASN 100 HD22 ASN 100 13.446 -2.568 -1.659 391 H ASP 101 H ASP 101 12.893 -1.942 4.422 392 HA ASP 101 HA ASP 101 14.401 -0.486 5.270 393 HB2 ASP 101 HB2 ASP 101 15.903 -2.482 4.547 394 HB3 ASP 101 HB3 ASP 101 16.428 -1.407 3.256 395 H LEU 102 H LEU 102 12.790 0.908 3.913 396 HA LEU 102 HA LEU 102 14.189 2.422 1.836 397 HB2 LEU 102 HB2 LEU 102 11.343 2.491 2.830 398 HB3 LEU 102 HB3 LEU 102 11.970 3.606 1.650 399 HG LEU 102 HG LEU 102 11.336 2.219 0.058 400 HD11 LEU 102 HD11 LEU 102 12.522 0.153 -0.368 401 HD12 LEU 102 HD12 LEU 102 13.179 0.196 1.268 402 HD13 LEU 102 HD13 LEU 102 13.634 1.441 0.102 403 HD21 LEU 102 HD21 LEU 102 9.576 1.316 1.227 404 HD22 LEU 102 HD22 LEU 102 10.626 0.480 2.363 405 HD23 LEU 102 HD23 LEU 102 10.462 -0.120 0.713 406 H ASN 103 H ASN 103 13.914 4.780 1.903 407 HA ASN 103 HA ASN 103 14.786 5.876 4.390 408 HB2 ASN 103 HB2 ASN 103 15.325 6.624 1.952 409 HB3 ASN 103 HB3 ASN 103 13.790 7.466 2.048 410 HD21 ASN 103 HD21 ASN 103 14.757 9.470 1.824 411 HD22 ASN 103 HD22 ASN 103 15.666 10.205 3.106 412 HA PRO 104 HA PRO 104 10.835 6.529 6.295 413 HB2 PRO 104 HB2 PRO 104 12.212 8.861 7.525 414 HB3 PRO 104 HB3 PRO 104 11.346 7.526 8.296 415 HG2 PRO 104 HG2 PRO 104 13.998 7.586 8.357 416 HG3 PRO 104 HG3 PRO 104 13.143 6.058 8.067 417 HD2 PRO 104 HD2 PRO 104 14.507 7.864 6.102 418 HD3 PRO 104 HD3 PRO 104 14.538 6.094 6.197 419 H MET 105 H MET 105 12.442 8.853 4.361 420 HA MET 105 HA MET 105 10.542 10.941 4.363 421 HB2 MET 105 HB2 MET 105 12.843 11.144 3.489 422 HB3 MET 105 HB3 MET 105 12.424 10.068 2.169 423 HG2 MET 105 HG2 MET 105 10.770 11.693 1.381 424 HG3 MET 105 HG3 MET 105 11.239 12.782 2.685 425 HE1 MET 105 HE1 MET 105 14.939 13.644 1.742 426 HE2 MET 105 HE2 MET 105 14.314 12.455 2.885 427 HE3 MET 105 HE3 MET 105 13.588 14.059 2.796 428 H PHE 106 H PHE 106 10.527 7.791 2.982 429 HA PHE 106 HA PHE 106 8.687 8.431 0.836 430 HB2 PHE 106 HB2 PHE 106 9.850 5.845 1.847 431 HB3 PHE 106 HB3 PHE 106 8.688 5.917 0.532 432 HD1 PHE 106 HD1 PHE 106 9.389 7.737 -1.336 433 HD2 PHE 106 HD2 PHE 106 12.060 5.686 1.278 434 HE1 PHE 106 HE1 PHE 106 11.228 8.123 -2.919 435 HE2 PHE 106 HE2 PHE 106 13.901 6.081 -0.307 436 HZ PHE 106 HZ PHE 106 13.491 7.297 -2.406 437 H LEU 107 H LEU 107 8.572 7.512 4.102 438 HA LEU 107 HA LEU 107 6.319 5.937 4.339 439 HB2 LEU 107 HB2 LEU 107 7.751 6.313 6.197 440 HB3 LEU 107 HB3 LEU 107 7.506 8.044 6.139 441 HG LEU 107 HG LEU 107 5.236 7.770 6.993 442 HD11 LEU 107 HD11 LEU 107 5.834 4.834 7.203 443 HD12 LEU 107 HD12 LEU 107 4.891 5.549 5.904 444 HD13 LEU 107 HD13 LEU 107 4.319 5.661 7.565 445 HD21 LEU 107 HD21 LEU 107 7.143 7.924 8.561 446 HD22 LEU 107 HD22 LEU 107 7.202 6.157 8.607 447 HD23 LEU 107 HD23 LEU 107 5.780 7.013 9.216 448 H ASP 108 H ASP 108 6.506 9.462 4.109 449 HA ASP 108 HA ASP 108 3.750 9.910 4.575 450 HB2 ASP 108 HB2 ASP 108 5.309 11.721 4.855 451 HB3 ASP 108 HB3 ASP 108 5.852 11.582 3.187 452 H GLN 109 H GLN 109 5.652 9.436 1.651 453 HA GLN 109 HA GLN 109 3.687 10.091 -0.237 454 HB2 GLN 109 HB2 GLN 109 5.900 9.978 -1.027 455 HB3 GLN 109 HB3 GLN 109 6.189 8.417 -0.270 456 HG2 GLN 109 HG2 GLN 109 4.517 7.471 -1.883 457 HG3 GLN 109 HG3 GLN 109 4.597 9.010 -2.741 458 HE21 GLN 109 HE21 GLN 109 5.312 6.369 -3.668 459 HE22 GLN 109 HE22 GLN 109 6.987 6.423 -4.111 460 H VAL 110 H VAL 110 4.733 6.887 0.927 461 HA VAL 110 HA VAL 110 2.790 5.414 -0.486 462 HB VAL 110 HB VAL 110 3.297 3.716 1.492 463 HG11 VAL 110 HG11 VAL 110 5.082 2.876 0.195 464 HG12 VAL 110 HG12 VAL 110 5.460 4.483 -0.405 465 HG13 VAL 110 HG13 VAL 110 3.987 3.683 -0.933 466 HG21 VAL 110 HG21 VAL 110 5.295 4.051 2.635 467 HG22 VAL 110 HG22 VAL 110 4.482 5.610 2.738 468 HG23 VAL 110 HG23 VAL 110 5.778 5.374 1.575 469 H ALA 111 H ALA 111 2.812 6.799 2.752 470 HA ALA 111 HA ALA 111 0.431 5.580 3.662 471 HB1 ALA 111 HB1 ALA 111 1.665 8.148 4.625 472 HB2 ALA 111 HB2 ALA 111 2.152 6.530 5.135 473 HB3 ALA 111 HB3 ALA 111 0.529 7.120 5.502 474 H LYS 112 H LYS 112 1.052 8.753 2.178 475 HA LYS 112 HA LYS 112 -1.596 9.697 2.450 476 HB2 LYS 112 HB2 LYS 112 0.687 10.485 0.648 477 HB3 LYS 112 HB3 LYS 112 -0.893 11.263 0.540 478 HG2 LYS 112 HG2 LYS 112 0.796 11.132 3.031 479 HG3 LYS 112 HG3 LYS 112 0.702 12.515 1.939 480 HD2 LYS 112 HD2 LYS 112 -1.604 11.318 3.474 481 HD3 LYS 112 HD3 LYS 112 -0.742 12.795 3.909 482 HE2 LYS 112 HE2 LYS 112 -2.267 12.354 1.342 483 HE3 LYS 112 HE3 LYS 112 -2.871 13.240 2.740 484 HZ1 LYS 112 HZ1 LYS 112 -0.444 13.981 1.195 485 HZ2 LYS 112 HZ2 LYS 112 -1.148 14.870 2.461 486 HZ3 LYS 112 HZ3 LYS 112 -1.972 14.683 0.989 487 H PHE 113 H PHE 113 -0.025 7.752 -0.035 488 HA PHE 113 HA PHE 113 -2.227 7.773 -1.831 489 HB2 PHE 113 HB2 PHE 113 0.185 6.929 -2.254 490 HB3 PHE 113 HB3 PHE 113 -0.362 5.427 -1.513 491 HD1 PHE 113 HD1 PHE 113 -2.371 4.259 -2.537 492 HD2 PHE 113 HD2 PHE 113 -0.253 7.385 -4.491 493 HE1 PHE 113 HE1 PHE 113 -3.323 3.547 -4.695 494 HE2 PHE 113 HE2 PHE 113 -1.199 6.686 -6.651 495 HZ PHE 113 HZ PHE 113 -2.739 4.766 -6.756 496 H ILE 114 H ILE 114 -1.230 5.562 0.757 497 HA ILE 114 HA ILE 114 -3.230 3.709 0.811 498 HB ILE 114 HB ILE 114 -1.756 5.105 3.006 499 HG12 ILE 114 HG12 ILE 114 -1.655 2.184 2.367 500 HG13 ILE 114 HG13 ILE 114 -0.806 3.329 1.332 501 HG21 ILE 114 HG21 ILE 114 -4.177 4.184 3.557 502 HG22 ILE 114 HG22 ILE 114 -2.836 4.026 4.675 503 HG23 ILE 114 HG23 ILE 114 -3.293 2.661 3.661 504 HD11 ILE 114 HD11 ILE 114 0.487 2.229 3.243 505 HD12 ILE 114 HD12 ILE 114 -0.410 3.337 4.285 506 HD13 ILE 114 HD13 ILE 114 0.633 3.972 3.022 507 H ILE 115 H ILE 115 -3.276 6.842 2.469 508 HA ILE 115 HA ILE 115 -5.818 6.716 3.551 509 HB ILE 115 HB ILE 115 -4.167 9.071 2.682 510 HG12 ILE 115 HG12 ILE 115 -4.923 8.196 5.453 511 HG13 ILE 115 HG13 ILE 115 -3.540 7.497 4.623 512 HG21 ILE 115 HG21 ILE 115 -6.400 9.873 2.573 513 HG22 ILE 115 HG22 ILE 115 -5.757 10.396 4.127 514 HG23 ILE 115 HG23 ILE 115 -6.849 9.018 4.046 515 HD11 ILE 115 HD11 ILE 115 -3.762 10.457 4.851 516 HD12 ILE 115 HD12 ILE 115 -2.327 9.428 4.750 517 HD13 ILE 115 HD13 ILE 115 -3.250 9.510 6.246 518 H ASP 116 H ASP 116 -4.834 8.108 0.412 519 HA ASP 116 HA ASP 116 -7.413 9.138 -0.123 520 HB2 ASP 116 HB2 ASP 116 -5.278 9.951 -1.180 521 HB3 ASP 116 HB3 ASP 116 -5.328 8.521 -2.211 522 H ASN 117 H ASN 117 -6.058 5.995 -0.557 523 HA ASN 117 HA ASN 117 -7.749 4.981 -2.548 524 HB2 ASN 117 HB2 ASN 117 -5.811 3.745 -1.648 525 HB3 ASN 117 HB3 ASN 117 -6.662 3.521 -0.124 526 HD21 ASN 117 HD21 ASN 117 -8.291 2.001 0.010 527 HD22 ASN 117 HD22 ASN 117 -8.614 0.853 -1.240 528 H THR 118 H THR 118 -8.331 5.565 0.873 529 HA THR 118 HA THR 118 -11.098 4.635 0.502 530 HB THR 118 HB THR 118 -11.130 4.778 3.078 531 HG1 THR 118 HG1 THR 118 -8.420 4.219 3.078 532 HG21 THR 118 HG21 THR 118 -9.444 2.697 1.683 533 HG22 THR 118 HG22 THR 118 -11.199 2.667 1.864 534 HG23 THR 118 HG23 THR 118 -10.163 2.524 3.285 535 H LYS 119 H LYS 119 -9.147 7.399 0.954 536 HA LYS 119 HA LYS 119 -11.108 9.110 2.131 537 HB2 LYS 119 HB2 LYS 119 -8.785 9.680 2.380 538 HB3 LYS 119 HB3 LYS 119 -8.557 9.692 0.635 539 HG2 LYS 119 HG2 LYS 119 -9.850 11.656 0.383 540 HG3 LYS 119 HG3 LYS 119 -10.401 11.588 2.062 541 HD2 LYS 119 HD2 LYS 119 -8.659 13.258 1.823 542 HD3 LYS 119 HD3 LYS 119 -8.090 11.912 2.812 543 HE2 LYS 119 HE2 LYS 119 -6.910 10.984 0.897 544 HE3 LYS 119 HE3 LYS 119 -7.504 12.293 -0.121 545 HZ1 LYS 119 HZ1 LYS 119 -6.286 13.868 1.237 546 HZ2 LYS 119 HZ2 LYS 119 -5.237 12.679 0.623 547 HZ3 LYS 119 HZ3 LYS 119 -5.735 12.616 2.243 548 H GLY 120 H GLY 120 -9.632 9.920 -0.981 549 HA2 GLY 120 HA2 GLY 120 -10.958 9.497 -3.043 550 HA3 GLY 120 HA3 GLY 120 -12.356 10.021 -2.119 551 H GLN 121 H GLN 121 -9.105 11.477 -2.289 552 HA GLN 121 HA GLN 121 -10.342 14.021 -2.976 553 HB2 GLN 121 HB2 GLN 121 -8.613 13.953 -1.221 554 HB3 GLN 121 HB3 GLN 121 -7.456 13.324 -2.389 555 HG2 GLN 121 HG2 GLN 121 -7.827 15.390 -3.725 556 HG3 GLN 121 HG3 GLN 121 -8.759 16.030 -2.378 557 HE21 GLN 121 HE21 GLN 121 -5.616 15.200 -3.549 558 HE22 GLN 121 HE22 GLN 121 -4.716 15.961 -2.287 559 H MET 122 H MET 122 -8.367 11.492 -4.352 560 HA MET 122 HA MET 122 -7.538 12.785 -6.704 561 HB2 MET 122 HB2 MET 122 -6.631 10.620 -6.053 562 HB3 MET 122 HB3 MET 122 -8.210 9.873 -6.229 563 HG2 MET 122 HG2 MET 122 -6.820 9.327 -8.116 564 HG3 MET 122 HG3 MET 122 -8.164 10.346 -8.632 565 HE1 MET 122 HE1 MET 122 -5.586 9.818 -10.433 566 HE2 MET 122 HE2 MET 122 -5.298 11.442 -11.052 567 HE3 MET 122 HE3 MET 122 -6.948 10.830 -10.922 568 H LEU 123 H LEU 123 -10.354 10.694 -6.147 569 HA LEU 123 HA LEU 123 -11.934 12.286 -7.973 570 HB2 LEU 123 HB2 LEU 123 -10.767 10.575 -9.387 571 HB3 LEU 123 HB3 LEU 123 -11.574 9.327 -8.460 572 HG LEU 123 HG LEU 123 -13.760 10.228 -9.219 573 HD11 LEU 123 HD11 LEU 123 -13.772 11.790 -11.123 574 HD12 LEU 123 HD12 LEU 123 -12.029 12.003 -10.934 575 HD13 LEU 123 HD13 LEU 123 -13.125 12.519 -9.653 576 HD21 LEU 123 HD21 LEU 123 -12.781 8.353 -10.369 577 HD22 LEU 123 HD22 LEU 123 -11.801 9.434 -11.362 578 HD23 LEU 123 HD23 LEU 123 -13.556 9.420 -11.541 579 H GLY 124 H GLY 124 -11.887 9.160 -6.274 580 HA2 GLY 124 HA2 GLY 124 -13.612 9.719 -4.235 581 HA3 GLY 124 HA3 GLY 124 -14.666 9.320 -5.588 582 H LEU 125 H LEU 125 -11.734 8.099 -3.988 583 HA LEU 125 HA LEU 125 -11.037 6.035 -3.400 584 HB2 LEU 125 HB2 LEU 125 -13.951 5.357 -3.728 585 HB3 LEU 125 HB3 LEU 125 -12.753 4.179 -3.237 586 HG LEU 125 HG LEU 125 -12.231 5.756 -1.292 587 HD11 LEU 125 HD11 LEU 125 -14.884 6.909 -2.134 588 HD12 LEU 125 HD12 LEU 125 -13.331 7.749 -2.120 589 HD13 LEU 125 HD13 LEU 125 -14.066 7.226 -0.605 590 HD21 LEU 125 HD21 LEU 125 -13.344 3.683 -0.918 591 HD22 LEU 125 HD22 LEU 125 -14.860 4.322 -1.555 592 HD23 LEU 125 HD23 LEU 125 -14.223 4.925 -0.021 593 H GLY 126 H GLY 126 -13.546 5.179 -5.777 594 HA2 GLY 126 HA2 GLY 126 -11.715 4.793 -7.910 595 HA3 GLY 126 HA3 GLY 126 -12.063 3.257 -7.132 596 H ASN 127 H ASN 127 -12.947 5.255 -9.587 597 HA ASN 127 HA ASN 127 -15.794 4.746 -9.584 598 HB2 ASN 127 HB2 ASN 127 -14.693 6.749 -10.665 599 HB3 ASN 127 HB3 ASN 127 -14.042 5.662 -11.880 600 HD21 ASN 127 HD21 ASN 127 -16.475 4.036 -12.080 601 HD22 ASN 127 HD22 ASN 127 -17.632 5.019 -12.905 602 HA PRO 128 HA PRO 128 -15.172 0.660 -11.359 603 HB2 PRO 128 HB2 PRO 128 -18.076 0.443 -11.263 604 HB3 PRO 128 HB3 PRO 128 -16.868 -0.470 -10.356 605 HG2 PRO 128 HG2 PRO 128 -18.522 1.335 -9.189 606 HG3 PRO 128 HG3 PRO 128 -16.885 1.005 -8.596 607 HD2 PRO 128 HD2 PRO 128 -17.867 3.273 -10.294 608 HD3 PRO 128 HD3 PRO 128 -16.733 3.300 -8.925 Start of MODEL 11 1 H1 ALA 49 H1 ALA 49 -17.578 -13.556 -9.865 2 H2 ALA 49 H2 ALA 49 -16.053 -14.162 -10.292 3 H3 ALA 49 H3 ALA 49 -16.821 -13.019 -11.283 4 HA ALA 49 HA ALA 49 -15.020 -12.075 -9.924 5 HB1 ALA 49 HB1 ALA 49 -17.792 -11.059 -9.299 6 HB2 ALA 49 HB2 ALA 49 -16.840 -10.656 -10.728 7 HB3 ALA 49 HB3 ALA 49 -16.295 -10.145 -9.132 8 H ASN 50 H ASN 50 -13.934 -12.859 -8.274 9 HA ASN 50 HA ASN 50 -13.341 -13.480 -6.185 10 HB2 ASN 50 HB2 ASN 50 -14.629 -11.612 -5.275 11 HB3 ASN 50 HB3 ASN 50 -16.104 -12.570 -5.346 12 HD21 ASN 50 HD21 ASN 50 -16.428 -12.310 -3.133 13 HD22 ASN 50 HD22 ASN 50 -15.486 -13.182 -1.969 14 H GLN 51 H GLN 51 -13.016 -15.557 -6.417 15 HA GLN 51 HA GLN 51 -15.101 -17.472 -6.829 16 HB2 GLN 51 HB2 GLN 51 -12.222 -17.921 -6.009 17 HB3 GLN 51 HB3 GLN 51 -13.311 -19.128 -6.685 18 HG2 GLN 51 HG2 GLN 51 -13.373 -17.953 -8.789 19 HG3 GLN 51 HG3 GLN 51 -12.400 -16.643 -8.124 20 HE21 GLN 51 HE21 GLN 51 -12.420 -19.915 -9.257 21 HE22 GLN 51 HE22 GLN 51 -10.703 -20.092 -9.405 22 H GLN 52 H GLN 52 -13.253 -16.302 -4.123 23 HA GLN 52 HA GLN 52 -15.035 -16.955 -2.122 24 HB2 GLN 52 HB2 GLN 52 -13.980 -18.878 -1.018 25 HB3 GLN 52 HB3 GLN 52 -14.565 -19.313 -2.616 26 HG2 GLN 52 HG2 GLN 52 -12.283 -19.113 -3.493 27 HG3 GLN 52 HG3 GLN 52 -11.706 -18.718 -1.875 28 HE21 GLN 52 HE21 GLN 52 -14.219 -21.049 -2.508 29 HE22 GLN 52 HE22 GLN 52 -13.300 -22.453 -2.066 30 H THR 53 H THR 53 -11.702 -16.637 -3.098 31 HA THR 53 HA THR 53 -11.290 -14.707 -0.947 32 HB THR 53 HB THR 53 -9.133 -16.717 -1.610 33 HG1 THR 53 HG1 THR 53 -11.327 -16.923 0.151 34 HG21 THR 53 HG21 THR 53 -8.434 -14.628 -0.512 35 HG22 THR 53 HG22 THR 53 -8.235 -16.011 0.565 36 HG23 THR 53 HG23 THR 53 -9.602 -14.919 0.780 37 H SER 54 H SER 54 -11.928 -14.020 -3.446 38 HA SER 54 HA SER 54 -9.396 -13.347 -4.787 39 HB2 SER 54 HB2 SER 54 -12.191 -13.231 -5.945 40 HB3 SER 54 HB3 SER 54 -10.664 -13.097 -6.819 41 HG SER 54 HG SER 54 -10.342 -15.212 -6.658 42 H GLY 55 H GLY 55 -9.232 -11.178 -5.707 43 HA2 GLY 55 HA2 GLY 55 -9.864 -8.879 -5.743 44 HA3 GLY 55 HA3 GLY 55 -10.947 -9.181 -4.390 45 H LYS 56 H LYS 56 -8.432 -10.837 -3.437 46 HA LYS 56 HA LYS 56 -7.336 -8.638 -1.887 47 HB2 LYS 56 HB2 LYS 56 -7.227 -11.631 -1.627 48 HB3 LYS 56 HB3 LYS 56 -6.110 -10.609 -0.739 49 HG2 LYS 56 HG2 LYS 56 -8.024 -11.223 0.631 50 HG3 LYS 56 HG3 LYS 56 -7.974 -9.484 0.346 51 HD2 LYS 56 HD2 LYS 56 -9.639 -9.777 -1.459 52 HD3 LYS 56 HD3 LYS 56 -9.738 -11.488 -1.048 53 HE2 LYS 56 HE2 LYS 56 -10.301 -9.245 0.875 54 HE3 LYS 56 HE3 LYS 56 -11.546 -10.066 -0.066 55 HZ1 LYS 56 HZ1 LYS 56 -9.730 -11.385 1.887 56 HZ2 LYS 56 HZ2 LYS 56 -10.992 -12.128 1.028 57 HZ3 LYS 56 HZ3 LYS 56 -11.338 -10.943 2.191 58 H VAL 57 H VAL 57 -4.898 -8.684 -1.552 59 HA VAL 57 HA VAL 57 -3.670 -9.089 -4.208 60 HB VAL 57 HB VAL 57 -2.579 -7.199 -2.154 61 HG11 VAL 57 HG11 VAL 57 -2.379 -7.468 -5.135 62 HG12 VAL 57 HG12 VAL 57 -1.094 -7.590 -3.926 63 HG13 VAL 57 HG13 VAL 57 -1.841 -6.029 -4.271 64 HG21 VAL 57 HG21 VAL 57 -3.961 -5.467 -2.687 65 HG22 VAL 57 HG22 VAL 57 -5.092 -6.818 -2.777 66 HG23 VAL 57 HG23 VAL 57 -4.402 -6.147 -4.258 67 H LEU 58 H LEU 58 -2.144 -10.553 -4.330 68 HA LEU 58 HA LEU 58 -0.693 -11.342 -1.916 69 HB2 LEU 58 HB2 LEU 58 -1.562 -13.100 -3.385 70 HB3 LEU 58 HB3 LEU 58 -0.632 -12.459 -4.726 71 HG LEU 58 HG LEU 58 1.429 -12.909 -3.239 72 HD11 LEU 58 HD11 LEU 58 -0.291 -14.987 -1.972 73 HD12 LEU 58 HD12 LEU 58 -0.228 -13.370 -1.277 74 HD13 LEU 58 HD13 LEU 58 1.257 -14.319 -1.434 75 HD21 LEU 58 HD21 LEU 58 0.913 -14.165 -5.258 76 HD22 LEU 58 HD22 LEU 58 -0.185 -15.202 -4.346 77 HD23 LEU 58 HD23 LEU 58 1.544 -15.224 -4.000 78 H TYR 59 H TYR 59 1.099 -10.253 -1.450 79 HA TYR 59 HA TYR 59 2.606 -9.091 -3.695 80 HB2 TYR 59 HB2 TYR 59 2.984 -7.140 -2.534 81 HB3 TYR 59 HB3 TYR 59 1.431 -7.573 -1.837 82 HD1 TYR 59 HD1 TYR 59 1.468 -8.842 0.405 83 HD2 TYR 59 HD2 TYR 59 4.836 -6.784 -1.182 84 HE1 TYR 59 HE1 TYR 59 2.501 -8.816 2.638 85 HE2 TYR 59 HE2 TYR 59 5.879 -6.753 1.041 86 HH TYR 59 HH TYR 59 4.994 -8.685 3.512 87 H GLU 60 H GLU 60 4.354 -10.179 -4.071 88 HA GLU 60 HA GLU 60 6.273 -11.348 -3.836 89 HB2 GLU 60 HB2 GLU 60 6.490 -9.978 -1.174 90 HB3 GLU 60 HB3 GLU 60 7.809 -10.563 -2.182 91 HG2 GLU 60 HG2 GLU 60 5.899 -8.379 -2.942 92 HG3 GLU 60 HG3 GLU 60 7.507 -8.120 -2.280 93 H GLY 61 H GLY 61 3.745 -12.412 -2.555 94 HA2 GLY 61 HA2 GLY 61 3.600 -14.766 -2.051 95 HA3 GLY 61 HA3 GLY 61 5.086 -14.618 -1.140 96 H LYS 62 H LYS 62 3.085 -12.004 -0.407 97 HA LYS 62 HA LYS 62 1.724 -13.531 1.724 98 HB2 LYS 62 HB2 LYS 62 3.597 -12.123 2.601 99 HB3 LYS 62 HB3 LYS 62 2.748 -10.713 1.986 100 HG2 LYS 62 HG2 LYS 62 0.893 -11.127 3.463 101 HG3 LYS 62 HG3 LYS 62 1.648 -12.615 4.030 102 HD2 LYS 62 HD2 LYS 62 3.004 -9.947 4.290 103 HD3 LYS 62 HD3 LYS 62 1.875 -10.543 5.509 104 HE2 LYS 62 HE2 LYS 62 4.345 -12.005 4.581 105 HE3 LYS 62 HE3 LYS 62 4.249 -11.023 6.041 106 HZ1 LYS 62 HZ1 LYS 62 3.944 -13.366 6.538 107 HZ2 LYS 62 HZ2 LYS 62 2.627 -13.451 5.476 108 HZ3 LYS 62 HZ3 LYS 62 2.525 -12.502 6.877 109 H GLU 63 H GLU 63 -0.310 -12.702 2.388 110 HA GLU 63 HA GLU 63 -1.710 -11.463 0.121 111 HB2 GLU 63 HB2 GLU 63 -2.597 -13.375 2.260 112 HB3 GLU 63 HB3 GLU 63 -3.749 -12.524 1.239 113 HG2 GLU 63 HG2 GLU 63 -2.881 -13.555 -0.715 114 HG3 GLU 63 HG3 GLU 63 -1.535 -14.258 0.183 115 H PHE 64 H PHE 64 -2.760 -9.608 0.306 116 HA PHE 64 HA PHE 64 -3.498 -8.599 2.950 117 HB2 PHE 64 HB2 PHE 64 -1.511 -7.366 1.133 118 HB3 PHE 64 HB3 PHE 64 -2.646 -6.275 1.902 119 HD1 PHE 64 HD1 PHE 64 -2.696 -6.081 4.361 120 HD2 PHE 64 HD2 PHE 64 0.194 -8.467 2.362 121 HE1 PHE 64 HE1 PHE 64 -1.337 -6.141 6.412 122 HE2 PHE 64 HE2 PHE 64 1.558 -8.541 4.408 123 HZ PHE 64 HZ PHE 64 0.795 -7.375 6.438 124 H ASP 65 H ASP 65 -4.786 -6.479 2.689 125 HA ASP 65 HA ASP 65 -7.027 -7.035 1.072 126 HB2 ASP 65 HB2 ASP 65 -6.258 -4.602 2.668 127 HB3 ASP 65 HB3 ASP 65 -7.754 -4.689 1.747 128 H TYR 66 H TYR 66 -5.053 -4.076 0.948 129 HA TYR 66 HA TYR 66 -5.050 -4.252 -1.990 130 HB2 TYR 66 HB2 TYR 66 -5.741 -1.795 -0.360 131 HB3 TYR 66 HB3 TYR 66 -5.413 -1.780 -2.087 132 HD1 TYR 66 HD1 TYR 66 -6.985 -2.973 -3.638 133 HD2 TYR 66 HD2 TYR 66 -7.872 -2.373 0.483 134 HE1 TYR 66 HE1 TYR 66 -9.364 -3.394 -4.094 135 HE2 TYR 66 HE2 TYR 66 -10.253 -2.793 0.035 136 HH TYR 66 HH TYR 66 -11.820 -2.719 -1.826 137 H VAL 67 H VAL 67 -2.865 -4.619 -2.267 138 HA VAL 67 HA VAL 67 -1.033 -2.830 -0.854 139 HB VAL 67 HB VAL 67 0.635 -4.314 -1.083 140 HG11 VAL 67 HG11 VAL 67 -1.226 -5.523 -0.050 141 HG12 VAL 67 HG12 VAL 67 -0.091 -6.591 -0.867 142 HG13 VAL 67 HG13 VAL 67 -1.638 -6.207 -1.626 143 HG21 VAL 67 HG21 VAL 67 -0.356 -5.650 -3.563 144 HG22 VAL 67 HG22 VAL 67 1.298 -5.486 -2.955 145 HG23 VAL 67 HG23 VAL 67 0.468 -4.093 -3.652 146 H PHE 68 H PHE 68 0.140 -1.310 -1.866 147 HA PHE 68 HA PHE 68 -0.728 -0.558 -4.541 148 HB2 PHE 68 HB2 PHE 68 -0.651 1.176 -2.807 149 HB3 PHE 68 HB3 PHE 68 1.046 0.836 -2.520 150 HD1 PHE 68 HD1 PHE 68 -1.031 1.525 -5.552 151 HD2 PHE 68 HD2 PHE 68 2.426 2.474 -3.269 152 HE1 PHE 68 HE1 PHE 68 -0.384 3.200 -7.239 153 HE2 PHE 68 HE2 PHE 68 3.084 4.152 -4.945 154 HZ PHE 68 HZ PHE 68 1.675 4.515 -6.934 155 H SER 69 H SER 69 0.705 -0.307 -6.312 156 HA SER 69 HA SER 69 3.271 -1.691 -5.943 157 HB2 SER 69 HB2 SER 69 1.860 -1.055 -8.538 158 HB3 SER 69 HB3 SER 69 3.223 -2.147 -8.312 159 HG SER 69 HG SER 69 0.895 -2.613 -6.841 160 H ILE 70 H ILE 70 4.935 -0.454 -5.700 161 HA ILE 70 HA ILE 70 4.822 2.347 -6.501 162 HB ILE 70 HB ILE 70 6.839 0.939 -4.742 163 HG12 ILE 70 HG12 ILE 70 4.235 2.309 -4.108 164 HG13 ILE 70 HG13 ILE 70 4.813 0.727 -3.573 165 HG21 ILE 70 HG21 ILE 70 7.883 2.875 -5.444 166 HG22 ILE 70 HG22 ILE 70 7.127 3.384 -3.931 167 HG23 ILE 70 HG23 ILE 70 6.382 3.800 -5.474 168 HD11 ILE 70 HD11 ILE 70 6.222 1.675 -1.965 169 HD12 ILE 70 HD12 ILE 70 4.743 2.633 -1.864 170 HD13 ILE 70 HD13 ILE 70 6.155 3.267 -2.710 171 H ASP 71 H ASP 71 5.831 3.001 -8.262 172 HA ASP 71 HA ASP 71 7.788 1.203 -9.508 173 HB2 ASP 71 HB2 ASP 71 5.752 1.853 -10.808 174 HB3 ASP 71 HB3 ASP 71 6.309 3.523 -10.761 175 H VAL 72 H VAL 72 9.794 1.871 -10.039 176 HA VAL 72 HA VAL 72 10.634 4.581 -10.056 177 HB VAL 72 HB VAL 72 10.511 4.254 -7.601 178 HG11 VAL 72 HG11 VAL 72 12.750 2.270 -7.854 179 HG12 VAL 72 HG12 VAL 72 11.061 1.776 -7.765 180 HG13 VAL 72 HG13 VAL 72 11.790 2.674 -6.427 181 HG21 VAL 72 HG21 VAL 72 12.780 5.029 -7.080 182 HG22 VAL 72 HG22 VAL 72 12.129 5.816 -8.519 183 HG23 VAL 72 HG23 VAL 72 13.313 4.520 -8.681 184 H ASN 73 H ASN 73 11.393 1.187 -9.848 185 HA ASN 73 HA ASN 73 13.746 1.597 -11.559 186 HB2 ASN 73 HB2 ASN 73 14.456 -0.658 -10.778 187 HB3 ASN 73 HB3 ASN 73 14.318 0.513 -9.473 188 HD21 ASN 73 HD21 ASN 73 14.225 -2.418 -9.449 189 HD22 ASN 73 HD22 ASN 73 12.719 -2.833 -8.694 190 H GLU 74 H GLU 74 13.648 0.929 -13.600 191 HA GLU 74 HA GLU 74 11.458 -0.849 -14.410 192 HB2 GLU 74 HB2 GLU 74 12.498 1.457 -15.577 193 HB3 GLU 74 HB3 GLU 74 13.145 0.150 -16.561 194 HG2 GLU 74 HG2 GLU 74 10.224 0.506 -15.916 195 HG3 GLU 74 HG3 GLU 74 11.000 1.080 -17.388 196 H GLY 75 H GLY 75 11.852 -2.812 -15.383 197 HA2 GLY 75 HA2 GLY 75 13.097 -4.669 -16.033 198 HA3 GLY 75 HA3 GLY 75 14.564 -3.713 -15.850 199 H GLY 76 H GLY 76 12.499 -3.546 -13.173 200 HA2 GLY 76 HA2 GLY 76 13.837 -5.776 -11.811 201 HA3 GLY 76 HA3 GLY 76 13.933 -4.164 -11.113 202 HA PRO 77 HA PRO 77 10.085 -6.453 -9.680 203 HB2 PRO 77 HB2 PRO 77 10.682 -6.624 -7.052 204 HB3 PRO 77 HB3 PRO 77 11.218 -7.830 -8.227 205 HG2 PRO 77 HG2 PRO 77 12.739 -5.550 -7.027 206 HG3 PRO 77 HG3 PRO 77 13.269 -7.216 -7.327 207 HD2 PRO 77 HD2 PRO 77 13.890 -5.125 -8.962 208 HD3 PRO 77 HD3 PRO 77 13.737 -6.796 -9.537 209 H SER 78 H SER 78 8.319 -5.395 -8.972 210 HA SER 78 HA SER 78 8.490 -2.598 -8.393 211 HB2 SER 78 HB2 SER 78 6.059 -4.381 -8.145 212 HB3 SER 78 HB3 SER 78 6.091 -2.639 -8.404 213 HG SER 78 HG SER 78 7.427 -3.458 -10.397 214 H TYR 79 H TYR 79 7.856 -1.553 -6.481 215 HA TYR 79 HA TYR 79 8.230 -3.114 -4.039 216 HB2 TYR 79 HB2 TYR 79 8.115 -0.153 -4.629 217 HB3 TYR 79 HB3 TYR 79 8.200 -0.783 -2.991 218 HD1 TYR 79 HD1 TYR 79 10.077 -3.098 -3.550 219 HD2 TYR 79 HD2 TYR 79 10.188 0.980 -4.755 220 HE1 TYR 79 HE1 TYR 79 12.522 -3.236 -3.757 221 HE2 TYR 79 HE2 TYR 79 12.637 0.853 -4.971 222 HH TYR 79 HH TYR 79 14.330 -2.045 -5.037 223 H LYS 80 H LYS 80 6.476 -3.754 -2.824 224 HA LYS 80 HA LYS 80 3.919 -2.582 -3.689 225 HB2 LYS 80 HB2 LYS 80 4.216 -5.283 -2.375 226 HB3 LYS 80 HB3 LYS 80 2.820 -4.647 -3.228 227 HG2 LYS 80 HG2 LYS 80 5.443 -5.502 -4.408 228 HG3 LYS 80 HG3 LYS 80 3.878 -6.278 -4.603 229 HD2 LYS 80 HD2 LYS 80 3.731 -3.519 -5.396 230 HD3 LYS 80 HD3 LYS 80 5.042 -4.326 -6.251 231 HE2 LYS 80 HE2 LYS 80 2.133 -5.080 -6.188 232 HE3 LYS 80 HE3 LYS 80 3.080 -4.550 -7.570 233 HZ1 LYS 80 HZ1 LYS 80 4.372 -6.585 -7.449 234 HZ2 LYS 80 HZ2 LYS 80 2.722 -6.941 -7.604 235 HZ3 LYS 80 HZ3 LYS 80 3.486 -7.104 -6.102 236 H LEU 81 H LEU 81 2.515 -1.776 -2.274 237 HA LEU 81 HA LEU 81 3.398 -1.603 0.538 238 HB2 LEU 81 HB2 LEU 81 3.026 0.408 -1.213 239 HB3 LEU 81 HB3 LEU 81 1.419 0.310 -0.544 240 HG LEU 81 HG LEU 81 3.945 1.226 0.701 241 HD11 LEU 81 HD11 LEU 81 2.539 2.939 1.541 242 HD12 LEU 81 HD12 LEU 81 1.093 2.025 1.135 243 HD13 LEU 81 HD13 LEU 81 2.103 2.685 -0.149 244 HD21 LEU 81 HD21 LEU 81 3.082 0.863 2.954 245 HD22 LEU 81 HD22 LEU 81 3.345 -0.668 2.118 246 HD23 LEU 81 HD23 LEU 81 1.709 -0.030 2.293 247 HA PRO 82 HA PRO 82 -0.443 -4.137 0.709 248 HB2 PRO 82 HB2 PRO 82 0.822 -4.912 3.250 249 HB3 PRO 82 HB3 PRO 82 0.213 -5.925 1.938 250 HG2 PRO 82 HG2 PRO 82 2.812 -5.660 2.329 251 HG3 PRO 82 HG3 PRO 82 2.147 -5.693 0.685 252 HD2 PRO 82 HD2 PRO 82 2.999 -3.321 2.309 253 HD3 PRO 82 HD3 PRO 82 3.353 -3.703 0.616 254 H TYR 83 H TYR 83 -2.126 -2.901 1.249 255 HA TYR 83 HA TYR 83 -2.130 -1.589 3.881 256 HB2 TYR 83 HB2 TYR 83 -2.180 0.070 2.161 257 HB3 TYR 83 HB3 TYR 83 -3.400 -0.812 1.254 258 HD1 TYR 83 HD1 TYR 83 -3.067 0.520 4.730 259 HD2 TYR 83 HD2 TYR 83 -5.466 0.207 1.237 260 HE1 TYR 83 HE1 TYR 83 -4.799 1.888 5.808 261 HE2 TYR 83 HE2 TYR 83 -7.212 1.568 2.309 262 HH TYR 83 HH TYR 83 -7.909 2.082 4.750 263 H ASN 84 H ASN 84 -3.520 -2.370 5.310 264 HA ASN 84 HA ASN 84 -5.902 -3.861 4.427 265 HB2 ASN 84 HB2 ASN 84 -5.137 -3.215 7.292 266 HB3 ASN 84 HB3 ASN 84 -6.189 -4.501 6.716 267 HD21 ASN 84 HD21 ASN 84 -2.964 -3.519 7.375 268 HD22 ASN 84 HD22 ASN 84 -2.207 -5.040 7.063 269 H THR 85 H THR 85 -8.002 -2.957 4.835 270 HA THR 85 HA THR 85 -7.889 -0.117 4.533 271 HB THR 85 HB THR 85 -10.370 -0.265 4.309 272 HG1 THR 85 HG1 THR 85 -10.462 -2.972 4.064 273 HG21 THR 85 HG21 THR 85 -8.526 -0.794 2.515 274 HG22 THR 85 HG22 THR 85 -10.229 -1.068 2.158 275 HG23 THR 85 HG23 THR 85 -9.195 -2.420 2.616 276 H SER 86 H SER 86 -8.102 -2.099 7.239 277 HA SER 86 HA SER 86 -9.236 0.057 8.866 278 HB2 SER 86 HB2 SER 86 -9.123 -1.819 10.653 279 HB3 SER 86 HB3 SER 86 -10.353 -1.921 9.398 280 HG SER 86 HG SER 86 -9.521 -3.831 9.088 281 H ASP 87 H ASP 87 -6.384 -0.457 7.679 282 HA ASP 87 HA ASP 87 -4.831 -0.226 10.170 283 HB2 ASP 87 HB2 ASP 87 -4.278 -1.902 8.245 284 HB3 ASP 87 HB3 ASP 87 -3.673 -0.487 7.397 285 H ASP 88 H ASP 88 -3.209 1.498 10.291 286 HA ASP 88 HA ASP 88 -4.290 3.968 9.177 287 HB2 ASP 88 HB2 ASP 88 -2.156 3.475 11.256 288 HB3 ASP 88 HB3 ASP 88 -2.606 5.072 10.681 289 HA PRO 89 HA PRO 89 -1.483 4.508 5.876 290 HB2 PRO 89 HB2 PRO 89 -0.745 7.161 6.320 291 HB3 PRO 89 HB3 PRO 89 -2.131 6.626 5.375 292 HG2 PRO 89 HG2 PRO 89 -2.018 7.567 8.198 293 HG3 PRO 89 HG3 PRO 89 -3.280 7.817 6.979 294 HD2 PRO 89 HD2 PRO 89 -3.595 6.065 8.951 295 HD3 PRO 89 HD3 PRO 89 -4.197 5.712 7.328 296 H TRP 90 H TRP 90 -0.268 6.417 8.629 297 HA TRP 90 HA TRP 90 2.417 6.141 7.906 298 HB2 TRP 90 HB2 TRP 90 2.965 7.108 10.036 299 HB3 TRP 90 HB3 TRP 90 1.534 7.910 9.410 300 HD1 TRP 90 HD1 TRP 90 -0.884 6.744 10.515 301 HE1 TRP 90 HE1 TRP 90 -1.310 6.235 13.008 302 HE3 TRP 90 HE3 TRP 90 3.958 6.599 12.149 303 HZ2 TRP 90 HZ2 TRP 90 0.212 5.848 15.351 304 HZ3 TRP 90 HZ3 TRP 90 4.385 6.160 14.531 305 HH2 TRP 90 HH2 TRP 90 2.550 5.792 16.098 306 H LEU 91 H LEU 91 0.330 4.008 9.681 307 HA LEU 91 HA LEU 91 2.475 2.443 10.793 308 HB2 LEU 91 HB2 LEU 91 -0.458 1.830 10.477 309 HB3 LEU 91 HB3 LEU 91 0.684 0.835 11.361 310 HG LEU 91 HG LEU 91 -0.110 3.657 12.072 311 HD11 LEU 91 HD11 LEU 91 -0.722 1.011 13.379 312 HD12 LEU 91 HD12 LEU 91 -1.869 2.054 12.538 313 HD13 LEU 91 HD13 LEU 91 -1.123 2.596 14.040 314 HD21 LEU 91 HD21 LEU 91 1.256 3.356 14.042 315 HD22 LEU 91 HD22 LEU 91 2.230 3.132 12.588 316 HD23 LEU 91 HD23 LEU 91 1.698 1.730 13.517 317 H THR 92 H THR 92 0.060 1.933 8.242 318 HA THR 92 HA THR 92 0.984 -0.488 7.228 319 HB THR 92 HB THR 92 -0.377 1.809 5.816 320 HG1 THR 92 HG1 THR 92 -1.405 0.506 7.626 321 HG21 THR 92 HG21 THR 92 0.740 0.410 4.172 322 HG22 THR 92 HG22 THR 92 -1.008 0.180 4.096 323 HG23 THR 92 HG23 THR 92 0.008 -1.030 4.881 324 H ALA 93 H ALA 93 1.886 2.816 6.381 325 HA ALA 93 HA ALA 93 3.610 2.100 4.243 326 HB1 ALA 93 HB1 ALA 93 2.589 4.277 4.333 327 HB2 ALA 93 HB2 ALA 93 4.342 4.459 4.419 328 HB3 ALA 93 HB3 ALA 93 3.365 4.618 5.878 329 H TYR 94 H TYR 94 4.058 2.840 7.658 330 HA TYR 94 HA TYR 94 6.872 2.827 7.711 331 HB2 TYR 94 HB2 TYR 94 5.138 3.541 9.508 332 HB3 TYR 94 HB3 TYR 94 5.153 1.843 9.976 333 HD1 TYR 94 HD1 TYR 94 7.349 0.805 10.622 334 HD2 TYR 94 HD2 TYR 94 6.827 4.999 10.276 335 HE1 TYR 94 HE1 TYR 94 9.353 1.156 12.011 336 HE2 TYR 94 HE2 TYR 94 8.830 5.372 11.653 337 HH TYR 94 HH TYR 94 10.174 4.242 13.294 338 H ASN 95 H ASN 95 4.426 0.323 8.046 339 HA ASN 95 HA ASN 95 5.998 -1.876 8.708 340 HB2 ASN 95 HB2 ASN 95 3.538 -1.909 8.723 341 HB3 ASN 95 HB3 ASN 95 3.524 -1.787 6.968 342 HD21 ASN 95 HD21 ASN 95 2.350 -3.677 6.799 343 HD22 ASN 95 HD22 ASN 95 3.070 -5.233 7.047 344 H PHE 96 H PHE 96 4.994 -0.795 5.450 345 HA PHE 96 HA PHE 96 6.620 -2.677 4.094 346 HB2 PHE 96 HB2 PHE 96 4.828 -1.768 2.855 347 HB3 PHE 96 HB3 PHE 96 5.307 -0.111 3.206 348 HD1 PHE 96 HD1 PHE 96 6.786 -3.174 1.655 349 HD2 PHE 96 HD2 PHE 96 6.281 1.046 1.490 350 HE1 PHE 96 HE1 PHE 96 8.075 -3.104 -0.440 351 HE2 PHE 96 HE2 PHE 96 7.564 1.125 -0.604 352 HZ PHE 96 HZ PHE 96 8.466 -0.955 -1.571 353 H LEU 97 H LEU 97 7.166 0.598 5.211 354 HA LEU 97 HA LEU 97 9.552 1.080 3.830 355 HB2 LEU 97 HB2 LEU 97 7.962 2.471 5.596 356 HB3 LEU 97 HB3 LEU 97 9.455 2.262 6.492 357 HG LEU 97 HG LEU 97 10.691 3.276 4.590 358 HD11 LEU 97 HD11 LEU 97 7.953 3.936 3.531 359 HD12 LEU 97 HD12 LEU 97 8.973 2.648 2.896 360 HD13 LEU 97 HD13 LEU 97 9.510 4.327 2.801 361 HD21 LEU 97 HD21 LEU 97 9.646 4.547 6.587 362 HD22 LEU 97 HD22 LEU 97 8.507 5.157 5.383 363 HD23 LEU 97 HD23 LEU 97 10.232 5.460 5.198 364 H GLN 98 H GLN 98 8.989 -0.346 7.050 365 HA GLN 98 HA GLN 98 11.794 -0.832 7.438 366 HB2 GLN 98 HB2 GLN 98 11.144 -2.053 9.446 367 HB3 GLN 98 HB3 GLN 98 10.328 -0.497 9.368 368 HG2 GLN 98 HG2 GLN 98 8.294 -1.543 8.662 369 HG3 GLN 98 HG3 GLN 98 9.097 -3.108 8.545 370 HE21 GLN 98 HE21 GLN 98 9.626 -4.221 10.408 371 HE22 GLN 98 HE22 GLN 98 8.922 -3.831 11.943 372 H LYS 99 H LYS 99 9.157 -2.530 5.986 373 HA LYS 99 HA LYS 99 10.244 -5.148 6.085 374 HB2 LYS 99 HB2 LYS 99 7.873 -4.750 5.674 375 HB3 LYS 99 HB3 LYS 99 8.245 -3.902 4.186 376 HG2 LYS 99 HG2 LYS 99 9.065 -6.757 4.522 377 HG3 LYS 99 HG3 LYS 99 7.401 -6.355 4.106 378 HD2 LYS 99 HD2 LYS 99 8.277 -5.042 2.166 379 HD3 LYS 99 HD3 LYS 99 9.888 -5.637 2.554 380 HE2 LYS 99 HE2 LYS 99 7.550 -7.445 1.985 381 HE3 LYS 99 HE3 LYS 99 8.674 -6.894 0.745 382 HZ1 LYS 99 HZ1 LYS 99 9.424 -8.444 3.167 383 HZ2 LYS 99 HZ2 LYS 99 10.476 -7.946 1.936 384 HZ3 LYS 99 HZ3 LYS 99 9.262 -9.084 1.603 385 H ASN 100 H ASN 100 10.385 -2.556 3.673 386 HA ASN 100 HA ASN 100 12.098 -4.236 2.001 387 HB2 ASN 100 HB2 ASN 100 10.090 -2.707 1.206 388 HB3 ASN 100 HB3 ASN 100 11.324 -1.457 1.229 389 HD21 ASN 100 HD21 ASN 100 13.115 -1.643 -0.177 390 HD22 ASN 100 HD22 ASN 100 13.035 -2.632 -1.593 391 H ASP 101 H ASP 101 12.436 -2.209 4.504 392 HA ASP 101 HA ASP 101 14.120 -1.044 5.460 393 HB2 ASP 101 HB2 ASP 101 15.802 -2.374 3.338 394 HB3 ASP 101 HB3 ASP 101 16.448 -1.454 4.689 395 H LEU 102 H LEU 102 12.633 0.591 4.171 396 HA LEU 102 HA LEU 102 14.216 2.121 2.241 397 HB2 LEU 102 HB2 LEU 102 11.339 2.367 3.112 398 HB3 LEU 102 HB3 LEU 102 12.108 3.462 1.999 399 HG LEU 102 HG LEU 102 11.369 2.187 0.360 400 HD11 LEU 102 HD11 LEU 102 12.466 0.111 -0.174 401 HD12 LEU 102 HD12 LEU 102 13.090 0.007 1.472 402 HD13 LEU 102 HD13 LEU 102 13.636 1.299 0.403 403 HD21 LEU 102 HD21 LEU 102 9.562 1.328 1.469 404 HD22 LEU 102 HD22 LEU 102 10.558 0.416 2.598 405 HD23 LEU 102 HD23 LEU 102 10.386 -0.138 0.932 406 H ASN 103 H ASN 103 13.961 4.517 2.440 407 HA ASN 103 HA ASN 103 14.831 5.427 5.018 408 HB2 ASN 103 HB2 ASN 103 15.582 6.249 2.697 409 HB3 ASN 103 HB3 ASN 103 14.046 7.083 2.644 410 HD21 ASN 103 HD21 ASN 103 16.858 8.018 2.670 411 HD22 ASN 103 HD22 ASN 103 16.926 9.186 3.954 412 HA PRO 104 HA PRO 104 10.821 6.371 6.726 413 HB2 PRO 104 HB2 PRO 104 12.392 8.491 8.107 414 HB3 PRO 104 HB3 PRO 104 11.331 7.255 8.789 415 HG2 PRO 104 HG2 PRO 104 13.967 7.004 8.992 416 HG3 PRO 104 HG3 PRO 104 12.955 5.590 8.637 417 HD2 PRO 104 HD2 PRO 104 14.640 7.228 6.779 418 HD3 PRO 104 HD3 PRO 104 14.425 5.470 6.828 419 H MET 105 H MET 105 12.863 8.522 5.020 420 HA MET 105 HA MET 105 11.293 10.837 4.826 421 HB2 MET 105 HB2 MET 105 13.653 10.588 4.086 422 HB3 MET 105 HB3 MET 105 13.098 9.596 2.750 423 HG2 MET 105 HG2 MET 105 11.823 11.510 1.887 424 HG3 MET 105 HG3 MET 105 12.466 12.501 3.197 425 HE1 MET 105 HE1 MET 105 15.141 12.873 3.537 426 HE2 MET 105 HE2 MET 105 16.346 12.302 2.380 427 HE3 MET 105 HE3 MET 105 15.434 11.144 3.351 428 H PHE 106 H PHE 106 10.830 7.682 3.552 429 HA PHE 106 HA PHE 106 9.188 8.565 1.318 430 HB2 PHE 106 HB2 PHE 106 10.057 5.856 2.299 431 HB3 PHE 106 HB3 PHE 106 8.930 6.061 0.967 432 HD1 PHE 106 HD1 PHE 106 9.809 7.736 -0.910 433 HD2 PHE 106 HD2 PHE 106 12.279 5.562 1.806 434 HE1 PHE 106 HE1 PHE 106 11.699 7.943 -2.469 435 HE2 PHE 106 HE2 PHE 106 14.169 5.772 0.247 436 HZ PHE 106 HZ PHE 106 13.882 6.960 -1.892 437 H LEU 107 H LEU 107 8.757 7.928 4.575 438 HA LEU 107 HA LEU 107 6.556 6.208 4.658 439 HB2 LEU 107 HB2 LEU 107 7.909 6.583 6.581 440 HB3 LEU 107 HB3 LEU 107 7.547 8.295 6.598 441 HG LEU 107 HG LEU 107 5.261 7.830 7.305 442 HD11 LEU 107 HD11 LEU 107 6.037 4.930 7.403 443 HD12 LEU 107 HD12 LEU 107 5.141 5.643 6.068 444 HD13 LEU 107 HD13 LEU 107 4.448 5.638 7.689 445 HD21 LEU 107 HD21 LEU 107 7.148 7.951 8.961 446 HD22 LEU 107 HD22 LEU 107 7.153 6.179 8.959 447 HD23 LEU 107 HD23 LEU 107 5.724 7.066 9.508 448 H ASP 108 H ASP 108 6.549 9.804 4.701 449 HA ASP 108 HA ASP 108 3.738 9.989 4.961 450 HB2 ASP 108 HB2 ASP 108 5.213 11.901 5.421 451 HB3 ASP 108 HB3 ASP 108 5.639 11.990 3.715 452 H GLN 109 H GLN 109 5.828 9.688 2.161 453 HA GLN 109 HA GLN 109 3.973 10.359 0.160 454 HB2 GLN 109 HB2 GLN 109 6.210 10.317 -0.517 455 HB3 GLN 109 HB3 GLN 109 6.522 8.782 0.275 456 HG2 GLN 109 HG2 GLN 109 5.189 7.652 -1.448 457 HG3 GLN 109 HG3 GLN 109 4.966 9.196 -2.271 458 HE21 GLN 109 HE21 GLN 109 6.285 6.734 -3.205 459 HE22 GLN 109 HE22 GLN 109 7.901 7.198 -3.618 460 H VAL 110 H VAL 110 4.987 7.160 1.362 461 HA VAL 110 HA VAL 110 3.092 5.721 -0.171 462 HB VAL 110 HB VAL 110 3.567 3.958 1.767 463 HG11 VAL 110 HG11 VAL 110 5.272 3.078 0.449 464 HG12 VAL 110 HG12 VAL 110 5.848 4.678 0.006 465 HG13 VAL 110 HG13 VAL 110 4.349 4.068 -0.683 466 HG21 VAL 110 HG21 VAL 110 5.510 4.257 2.986 467 HG22 VAL 110 HG22 VAL 110 4.744 5.845 3.063 468 HG23 VAL 110 HG23 VAL 110 6.072 5.562 1.945 469 H ALA 111 H ALA 111 3.056 6.978 3.127 470 HA ALA 111 HA ALA 111 0.649 5.767 3.964 471 HB1 ALA 111 HB1 ALA 111 1.843 8.348 4.945 472 HB2 ALA 111 HB2 ALA 111 2.303 6.734 5.496 473 HB3 ALA 111 HB3 ALA 111 0.671 7.338 5.791 474 H LYS 112 H LYS 112 1.279 8.898 2.424 475 HA LYS 112 HA LYS 112 -1.379 9.821 2.636 476 HB2 LYS 112 HB2 LYS 112 0.938 10.606 0.888 477 HB3 LYS 112 HB3 LYS 112 -0.647 11.362 0.713 478 HG2 LYS 112 HG2 LYS 112 0.953 11.273 3.260 479 HG3 LYS 112 HG3 LYS 112 0.867 12.650 2.155 480 HD2 LYS 112 HD2 LYS 112 -1.455 12.941 2.582 481 HD3 LYS 112 HD3 LYS 112 -1.549 11.405 3.444 482 HE2 LYS 112 HE2 LYS 112 -1.537 13.402 4.923 483 HE3 LYS 112 HE3 LYS 112 -0.237 12.257 5.247 484 HZ1 LYS 112 HZ1 LYS 112 1.340 13.662 4.293 485 HZ2 LYS 112 HZ2 LYS 112 0.346 14.720 5.176 486 HZ3 LYS 112 HZ3 LYS 112 0.175 14.600 3.496 487 H PHE 113 H PHE 113 0.286 7.931 0.137 488 HA PHE 113 HA PHE 113 -1.931 7.909 -1.637 489 HB2 PHE 113 HB2 PHE 113 0.522 7.147 -2.085 490 HB3 PHE 113 HB3 PHE 113 -0.011 5.600 -1.429 491 HD1 PHE 113 HD1 PHE 113 -1.986 4.453 -2.511 492 HD2 PHE 113 HD2 PHE 113 0.033 7.744 -4.293 493 HE1 PHE 113 HE1 PHE 113 -2.961 3.860 -4.694 494 HE2 PHE 113 HE2 PHE 113 -0.937 7.164 -6.482 495 HZ PHE 113 HZ PHE 113 -2.439 5.221 -6.680 496 H ILE 114 H ILE 114 -0.905 5.804 1.008 497 HA ILE 114 HA ILE 114 -2.861 3.867 0.990 498 HB ILE 114 HB ILE 114 -1.427 5.265 3.212 499 HG12 ILE 114 HG12 ILE 114 -1.270 2.360 2.506 500 HG13 ILE 114 HG13 ILE 114 -0.385 3.558 1.564 501 HG21 ILE 114 HG21 ILE 114 -3.849 3.801 3.495 502 HG22 ILE 114 HG22 ILE 114 -2.830 4.520 4.742 503 HG23 ILE 114 HG23 ILE 114 -2.530 2.871 4.203 504 HD11 ILE 114 HD11 ILE 114 0.758 2.380 3.558 505 HD12 ILE 114 HD12 ILE 114 -0.161 3.544 4.520 506 HD13 ILE 114 HD13 ILE 114 0.981 4.109 3.307 507 H ILE 115 H ILE 115 -2.962 7.030 2.603 508 HA ILE 115 HA ILE 115 -5.567 6.922 3.551 509 HB ILE 115 HB ILE 115 -3.848 9.238 2.727 510 HG12 ILE 115 HG12 ILE 115 -4.830 8.432 5.459 511 HG13 ILE 115 HG13 ILE 115 -3.363 7.766 4.755 512 HG21 ILE 115 HG21 ILE 115 -5.982 10.130 2.389 513 HG22 ILE 115 HG22 ILE 115 -5.586 10.595 4.042 514 HG23 ILE 115 HG23 ILE 115 -6.667 9.240 3.745 515 HD11 ILE 115 HD11 ILE 115 -3.648 10.714 4.862 516 HD12 ILE 115 HD12 ILE 115 -2.210 9.693 4.989 517 HD13 ILE 115 HD13 ILE 115 -3.313 9.840 6.356 518 H ASP 116 H ASP 116 -4.368 8.273 0.482 519 HA ASP 116 HA ASP 116 -6.840 9.164 -0.481 520 HB2 ASP 116 HB2 ASP 116 -4.196 8.531 -1.717 521 HB3 ASP 116 HB3 ASP 116 -5.574 8.719 -2.793 522 H ASN 117 H ASN 117 -5.593 5.944 -0.288 523 HA ASN 117 HA ASN 117 -7.154 4.795 -2.364 524 HB2 ASN 117 HB2 ASN 117 -5.213 3.647 -1.355 525 HB3 ASN 117 HB3 ASN 117 -6.103 3.483 0.156 526 HD21 ASN 117 HD21 ASN 117 -7.830 2.015 0.263 527 HD22 ASN 117 HD22 ASN 117 -8.053 0.780 -0.919 528 H THR 118 H THR 118 -7.763 5.402 1.067 529 HA THR 118 HA THR 118 -10.487 4.366 0.771 530 HB THR 118 HB THR 118 -10.552 5.017 3.301 531 HG1 THR 118 HG1 THR 118 -7.840 4.474 3.387 532 HG21 THR 118 HG21 THR 118 -8.859 2.716 2.320 533 HG22 THR 118 HG22 THR 118 -10.617 2.721 2.459 534 HG23 THR 118 HG23 THR 118 -9.618 2.838 3.907 535 H LYS 119 H LYS 119 -8.681 7.299 1.235 536 HA LYS 119 HA LYS 119 -10.896 9.056 1.597 537 HB2 LYS 119 HB2 LYS 119 -8.414 9.508 2.124 538 HB3 LYS 119 HB3 LYS 119 -8.194 9.723 0.393 539 HG2 LYS 119 HG2 LYS 119 -10.335 11.313 1.607 540 HG3 LYS 119 HG3 LYS 119 -8.699 11.724 2.113 541 HD2 LYS 119 HD2 LYS 119 -9.816 11.689 -0.689 542 HD3 LYS 119 HD3 LYS 119 -9.307 13.099 0.239 543 HE2 LYS 119 HE2 LYS 119 -7.547 10.876 -0.775 544 HE3 LYS 119 HE3 LYS 119 -7.629 12.518 -1.407 545 HZ1 LYS 119 HZ1 LYS 119 -6.814 11.877 1.370 546 HZ2 LYS 119 HZ2 LYS 119 -6.678 13.369 0.580 547 HZ3 LYS 119 HZ3 LYS 119 -5.716 12.054 0.094 548 H GLY 120 H GLY 120 -11.499 10.690 -0.134 549 HA2 GLY 120 HA2 GLY 120 -12.249 9.323 -2.516 550 HA3 GLY 120 HA3 GLY 120 -12.429 11.039 -2.223 551 H GLN 121 H GLN 121 -10.500 8.584 -3.593 552 HA GLN 121 HA GLN 121 -8.271 10.155 -4.334 553 HB2 GLN 121 HB2 GLN 121 -8.347 7.640 -4.265 554 HB3 GLN 121 HB3 GLN 121 -9.328 7.689 -5.725 555 HG2 GLN 121 HG2 GLN 121 -7.529 8.759 -6.932 556 HG3 GLN 121 HG3 GLN 121 -6.559 8.806 -5.463 557 HE21 GLN 121 HE21 GLN 121 -4.908 7.616 -6.413 558 HE22 GLN 121 HE22 GLN 121 -5.056 5.916 -6.703 559 H MET 122 H MET 122 -8.395 11.860 -5.595 560 HA MET 122 HA MET 122 -8.787 13.199 -7.382 561 HB2 MET 122 HB2 MET 122 -8.436 11.186 -8.772 562 HB3 MET 122 HB3 MET 122 -10.142 10.799 -8.630 563 HG2 MET 122 HG2 MET 122 -10.715 12.858 -9.802 564 HG3 MET 122 HG3 MET 122 -9.003 13.260 -9.936 565 HE1 MET 122 HE1 MET 122 -10.044 12.329 -13.610 566 HE2 MET 122 HE2 MET 122 -9.332 13.566 -12.574 567 HE3 MET 122 HE3 MET 122 -11.036 13.144 -12.400 568 H LEU 123 H LEU 123 -10.066 14.720 -6.637 569 HA LEU 123 HA LEU 123 -11.898 16.038 -6.464 570 HB2 LEU 123 HB2 LEU 123 -13.134 13.791 -7.994 571 HB3 LEU 123 HB3 LEU 123 -14.155 15.036 -7.305 572 HG LEU 123 HG LEU 123 -13.785 15.665 -9.550 573 HD11 LEU 123 HD11 LEU 123 -11.778 17.246 -7.966 574 HD12 LEU 123 HD12 LEU 123 -13.522 17.452 -7.838 575 HD13 LEU 123 HD13 LEU 123 -12.704 17.785 -9.367 576 HD21 LEU 123 HD21 LEU 123 -11.911 14.206 -10.057 577 HD22 LEU 123 HD22 LEU 123 -10.845 15.209 -9.075 578 HD23 LEU 123 HD23 LEU 123 -11.552 15.863 -10.552 579 H GLY 124 H GLY 124 -11.801 12.928 -5.073 580 HA2 GLY 124 HA2 GLY 124 -14.162 13.224 -3.460 581 HA3 GLY 124 HA3 GLY 124 -12.941 11.971 -3.305 582 H LEU 125 H LEU 125 -14.243 13.455 -1.208 583 HA LEU 125 HA LEU 125 -12.041 15.070 -0.131 584 HB2 LEU 125 HB2 LEU 125 -14.905 14.775 0.780 585 HB3 LEU 125 HB3 LEU 125 -13.703 15.785 1.563 586 HG LEU 125 HG LEU 125 -14.775 16.157 -1.236 587 HD11 LEU 125 HD11 LEU 125 -15.740 18.215 -0.299 588 HD12 LEU 125 HD12 LEU 125 -15.184 17.731 1.303 589 HD13 LEU 125 HD13 LEU 125 -16.396 16.764 0.461 590 HD21 LEU 125 HD21 LEU 125 -13.469 18.201 -1.269 591 HD22 LEU 125 HD22 LEU 125 -12.414 16.809 -1.021 592 HD23 LEU 125 HD23 LEU 125 -12.837 17.847 0.341 593 H GLY 126 H GLY 126 -12.231 14.860 2.486 594 HA2 GLY 126 HA2 GLY 126 -12.613 12.171 3.428 595 HA3 GLY 126 HA3 GLY 126 -10.913 12.594 3.258 596 H ASN 127 H ASN 127 -13.897 13.302 4.922 597 HA ASN 127 HA ASN 127 -14.406 14.342 6.871 598 HB2 ASN 127 HB2 ASN 127 -11.508 13.712 7.465 599 HB3 ASN 127 HB3 ASN 127 -12.628 14.365 8.656 600 HD21 ASN 127 HD21 ASN 127 -14.289 13.065 9.437 601 HD22 ASN 127 HD22 ASN 127 -14.274 11.346 9.244 602 HA PRO 128 HA PRO 128 -12.704 18.327 5.300 603 HB2 PRO 128 HB2 PRO 128 -15.465 19.230 5.294 604 HB3 PRO 128 HB3 PRO 128 -14.344 19.087 3.940 605 HG2 PRO 128 HG2 PRO 128 -16.524 17.486 4.243 606 HG3 PRO 128 HG3 PRO 128 -15.045 16.970 3.415 607 HD2 PRO 128 HD2 PRO 128 -15.965 16.370 6.200 608 HD3 PRO 128 HD3 PRO 128 -15.171 15.304 5.022 Start of MODEL 12 1 H1 ALA 49 H1 ALA 49 -13.565 -15.170 5.511 2 H2 ALA 49 H2 ALA 49 -14.023 -14.651 7.062 3 H3 ALA 49 H3 ALA 49 -12.676 -15.662 6.867 4 HA ALA 49 HA ALA 49 -12.909 -12.896 5.837 5 HB1 ALA 49 HB1 ALA 49 -11.305 -13.937 8.168 6 HB2 ALA 49 HB2 ALA 49 -12.783 -12.981 8.281 7 HB3 ALA 49 HB3 ALA 49 -11.330 -12.278 7.573 8 H ASN 50 H ASN 50 -11.797 -15.802 4.994 9 HA ASN 50 HA ASN 50 -9.059 -14.933 4.370 10 HB2 ASN 50 HB2 ASN 50 -10.337 -17.672 4.375 11 HB3 ASN 50 HB3 ASN 50 -8.719 -17.363 3.758 12 HD21 ASN 50 HD21 ASN 50 -7.731 -18.663 5.248 13 HD22 ASN 50 HD22 ASN 50 -7.613 -18.250 6.928 14 H GLN 51 H GLN 51 -11.299 -13.879 2.957 15 HA GLN 51 HA GLN 51 -10.472 -14.462 0.263 16 HB2 GLN 51 HB2 GLN 51 -12.147 -16.226 0.640 17 HB3 GLN 51 HB3 GLN 51 -13.323 -15.011 1.119 18 HG2 GLN 51 HG2 GLN 51 -13.086 -14.017 -1.170 19 HG3 GLN 51 HG3 GLN 51 -12.128 -15.433 -1.604 20 HE21 GLN 51 HE21 GLN 51 -14.695 -14.489 -2.633 21 HE22 GLN 51 HE22 GLN 51 -15.808 -15.793 -2.401 22 H GLN 52 H GLN 52 -13.503 -13.201 1.599 23 HA GLN 52 HA GLN 52 -14.468 -11.157 1.628 24 HB2 GLN 52 HB2 GLN 52 -11.690 -10.080 1.120 25 HB3 GLN 52 HB3 GLN 52 -13.080 -9.145 1.656 26 HG2 GLN 52 HG2 GLN 52 -11.757 -11.376 3.184 27 HG3 GLN 52 HG3 GLN 52 -11.575 -9.650 3.497 28 HE21 GLN 52 HE21 GLN 52 -14.353 -9.031 2.985 29 HE22 GLN 52 HE22 GLN 52 -15.245 -9.629 4.347 30 H THR 53 H THR 53 -14.640 -9.035 0.184 31 HA THR 53 HA THR 53 -14.673 -10.037 -2.590 32 HB THR 53 HB THR 53 -16.768 -8.652 -2.862 33 HG1 THR 53 HG1 THR 53 -17.166 -8.805 -0.089 34 HG21 THR 53 HG21 THR 53 -16.854 -11.084 -2.648 35 HG22 THR 53 HG22 THR 53 -18.226 -10.338 -1.830 36 HG23 THR 53 HG23 THR 53 -16.860 -10.939 -0.890 37 H SER 54 H SER 54 -12.966 -8.054 -0.869 38 HA SER 54 HA SER 54 -13.300 -5.586 -2.320 39 HB2 SER 54 HB2 SER 54 -11.185 -4.972 -0.985 40 HB3 SER 54 HB3 SER 54 -12.663 -5.281 -0.072 41 HG SER 54 HG SER 54 -10.640 -6.335 0.675 42 H GLY 55 H GLY 55 -11.711 -8.495 -2.874 43 HA2 GLY 55 HA2 GLY 55 -10.361 -9.113 -4.664 44 HA3 GLY 55 HA3 GLY 55 -10.213 -7.413 -5.106 45 H LYS 56 H LYS 56 -8.745 -10.060 -3.531 46 HA LYS 56 HA LYS 56 -7.030 -8.385 -1.892 47 HB2 LYS 56 HB2 LYS 56 -7.291 -11.380 -2.115 48 HB3 LYS 56 HB3 LYS 56 -6.223 -10.547 -1.000 49 HG2 LYS 56 HG2 LYS 56 -9.139 -9.953 -1.024 50 HG3 LYS 56 HG3 LYS 56 -8.521 -11.366 -0.163 51 HD2 LYS 56 HD2 LYS 56 -7.119 -9.912 1.197 52 HD3 LYS 56 HD3 LYS 56 -7.666 -8.502 0.278 53 HE2 LYS 56 HE2 LYS 56 -9.977 -9.000 0.972 54 HE3 LYS 56 HE3 LYS 56 -9.376 -10.323 1.968 55 HZ1 LYS 56 HZ1 LYS 56 -7.967 -8.533 3.088 56 HZ2 LYS 56 HZ2 LYS 56 -9.624 -8.550 3.430 57 HZ3 LYS 56 HZ3 LYS 56 -9.001 -7.414 2.338 58 H VAL 57 H VAL 57 -4.859 -8.281 -2.059 59 HA VAL 57 HA VAL 57 -3.707 -8.986 -4.664 60 HB VAL 57 HB VAL 57 -2.463 -7.233 -2.556 61 HG11 VAL 57 HG11 VAL 57 -2.024 -7.635 -5.495 62 HG12 VAL 57 HG12 VAL 57 -0.871 -7.792 -4.162 63 HG13 VAL 57 HG13 VAL 57 -1.446 -6.198 -4.649 64 HG21 VAL 57 HG21 VAL 57 -3.608 -5.378 -3.180 65 HG22 VAL 57 HG22 VAL 57 -4.864 -6.589 -3.449 66 HG23 VAL 57 HG23 VAL 57 -3.923 -5.981 -4.811 67 H LEU 58 H LEU 58 -1.960 -10.362 -4.814 68 HA LEU 58 HA LEU 58 -1.079 -11.608 -2.300 69 HB2 LEU 58 HB2 LEU 58 -2.089 -13.077 -4.037 70 HB3 LEU 58 HB3 LEU 58 -0.779 -12.647 -5.122 71 HG LEU 58 HG LEU 58 0.764 -13.583 -3.267 72 HD11 LEU 58 HD11 LEU 58 -1.610 -15.235 -2.544 73 HD12 LEU 58 HD12 LEU 58 -1.359 -13.687 -1.740 74 HD13 LEU 58 HD13 LEU 58 -0.118 -14.944 -1.641 75 HD21 LEU 58 HD21 LEU 58 0.532 -15.850 -4.161 76 HD22 LEU 58 HD22 LEU 58 0.435 -14.642 -5.443 77 HD23 LEU 58 HD23 LEU 58 -1.035 -15.418 -4.853 78 H TYR 59 H TYR 59 0.698 -10.707 -1.551 79 HA TYR 59 HA TYR 59 2.922 -10.159 -3.420 80 HB2 TYR 59 HB2 TYR 59 3.483 -8.218 -2.305 81 HB3 TYR 59 HB3 TYR 59 1.745 -8.202 -2.018 82 HD1 TYR 59 HD1 TYR 59 0.963 -9.379 0.177 83 HD2 TYR 59 HD2 TYR 59 4.926 -8.012 -0.507 84 HE1 TYR 59 HE1 TYR 59 1.392 -9.430 2.594 85 HE2 TYR 59 HE2 TYR 59 5.369 -8.044 1.914 86 HH TYR 59 HH TYR 59 4.022 -7.940 4.052 87 H GLU 60 H GLU 60 4.686 -11.405 -3.091 88 HA GLU 60 HA GLU 60 6.172 -12.850 -2.126 89 HB2 GLU 60 HB2 GLU 60 5.285 -11.511 0.425 90 HB3 GLU 60 HB3 GLU 60 6.754 -12.454 0.214 91 HG2 GLU 60 HG2 GLU 60 6.168 -10.017 -1.420 92 HG3 GLU 60 HG3 GLU 60 6.965 -9.935 0.153 93 H GLY 61 H GLY 61 3.295 -13.563 -2.322 94 HA2 GLY 61 HA2 GLY 61 2.206 -15.594 -1.999 95 HA3 GLY 61 HA3 GLY 61 3.455 -16.058 -0.859 96 H LYS 62 H LYS 62 2.074 -12.992 -0.254 97 HA LYS 62 HA LYS 62 0.229 -14.171 1.731 98 HB2 LYS 62 HB2 LYS 62 2.292 -12.875 2.596 99 HB3 LYS 62 HB3 LYS 62 1.478 -11.446 1.980 100 HG2 LYS 62 HG2 LYS 62 -0.464 -11.977 3.418 101 HG3 LYS 62 HG3 LYS 62 0.463 -13.315 4.107 102 HD2 LYS 62 HD2 LYS 62 1.207 -10.394 4.193 103 HD3 LYS 62 HD3 LYS 62 0.595 -11.351 5.541 104 HE2 LYS 62 HE2 LYS 62 2.563 -12.710 5.548 105 HE3 LYS 62 HE3 LYS 62 3.140 -11.968 4.057 106 HZ1 LYS 62 HZ1 LYS 62 3.424 -9.889 5.194 107 HZ2 LYS 62 HZ2 LYS 62 4.249 -11.098 6.052 108 HZ3 LYS 62 HZ3 LYS 62 2.758 -10.518 6.621 109 H GLU 63 H GLU 63 -1.739 -13.037 2.072 110 HA GLU 63 HA GLU 63 -2.566 -11.524 -0.304 111 HB2 GLU 63 HB2 GLU 63 -4.077 -13.327 1.556 112 HB3 GLU 63 HB3 GLU 63 -4.904 -12.226 0.463 113 HG2 GLU 63 HG2 GLU 63 -3.899 -13.317 -1.438 114 HG3 GLU 63 HG3 GLU 63 -2.971 -14.374 -0.370 115 H PHE 64 H PHE 64 -3.313 -9.546 -0.152 116 HA PHE 64 HA PHE 64 -4.188 -8.508 2.451 117 HB2 PHE 64 HB2 PHE 64 -1.943 -7.532 0.787 118 HB3 PHE 64 HB3 PHE 64 -2.964 -6.308 1.506 119 HD1 PHE 64 HD1 PHE 64 -3.329 -6.427 4.037 120 HD2 PHE 64 HD2 PHE 64 -0.255 -8.560 2.020 121 HE1 PHE 64 HE1 PHE 64 -2.118 -6.691 6.161 122 HE2 PHE 64 HE2 PHE 64 0.950 -8.832 4.141 123 HZ PHE 64 HZ PHE 64 0.024 -7.898 6.216 124 H ASP 65 H ASP 65 -5.325 -6.399 2.211 125 HA ASP 65 HA ASP 65 -7.420 -6.591 0.347 126 HB2 ASP 65 HB2 ASP 65 -6.490 -4.461 2.238 127 HB3 ASP 65 HB3 ASP 65 -7.681 -4.032 1.022 128 H TYR 66 H TYR 66 -5.187 -3.852 0.569 129 HA TYR 66 HA TYR 66 -4.956 -3.847 -2.364 130 HB2 TYR 66 HB2 TYR 66 -5.464 -1.456 -0.572 131 HB3 TYR 66 HB3 TYR 66 -5.014 -1.347 -2.266 132 HD1 TYR 66 HD1 TYR 66 -7.691 -2.338 0.069 133 HD2 TYR 66 HD2 TYR 66 -6.624 -1.670 -3.993 134 HE1 TYR 66 HE1 TYR 66 -10.069 -2.385 -0.555 135 HE2 TYR 66 HE2 TYR 66 -8.998 -1.710 -4.630 136 HH TYR 66 HH TYR 66 -11.516 -1.583 -2.320 137 H VAL 67 H VAL 67 -2.795 -4.705 -2.217 138 HA VAL 67 HA VAL 67 -0.888 -3.020 -0.839 139 HB VAL 67 HB VAL 67 0.712 -4.571 -1.136 140 HG11 VAL 67 HG11 VAL 67 -1.241 -5.729 -0.191 141 HG12 VAL 67 HG12 VAL 67 -0.108 -6.803 -1.003 142 HG13 VAL 67 HG13 VAL 67 -1.614 -6.347 -1.802 143 HG21 VAL 67 HG21 VAL 67 -0.255 -5.829 -3.641 144 HG22 VAL 67 HG22 VAL 67 1.396 -5.572 -3.062 145 HG23 VAL 67 HG23 VAL 67 0.471 -4.226 -3.735 146 H PHE 68 H PHE 68 0.247 -1.422 -1.737 147 HA PHE 68 HA PHE 68 -0.757 -0.486 -4.292 148 HB2 PHE 68 HB2 PHE 68 -0.675 1.096 -2.439 149 HB3 PHE 68 HB3 PHE 68 1.042 0.800 -2.234 150 HD1 PHE 68 HD1 PHE 68 -1.206 1.700 -5.082 151 HD2 PHE 68 HD2 PHE 68 2.373 2.477 -2.931 152 HE1 PHE 68 HE1 PHE 68 -0.671 3.526 -6.645 153 HE2 PHE 68 HE2 PHE 68 2.919 4.309 -4.485 154 HZ PHE 68 HZ PHE 68 1.395 4.834 -6.348 155 H SER 69 H SER 69 0.449 -0.141 -6.093 156 HA SER 69 HA SER 69 3.023 -1.520 -6.160 157 HB2 SER 69 HB2 SER 69 1.421 -0.441 -8.488 158 HB3 SER 69 HB3 SER 69 2.710 -1.644 -8.534 159 HG SER 69 HG SER 69 0.054 -1.888 -7.665 160 H ILE 70 H ILE 70 4.747 -0.326 -5.899 161 HA ILE 70 HA ILE 70 4.614 2.527 -6.562 162 HB ILE 70 HB ILE 70 6.647 1.103 -4.841 163 HG12 ILE 70 HG12 ILE 70 4.054 2.470 -4.120 164 HG13 ILE 70 HG13 ILE 70 4.546 0.816 -3.741 165 HG21 ILE 70 HG21 ILE 70 7.605 3.111 -5.527 166 HG22 ILE 70 HG22 ILE 70 6.902 3.506 -3.957 167 HG23 ILE 70 HG23 ILE 70 6.076 3.982 -5.441 168 HD11 ILE 70 HD11 ILE 70 6.025 1.548 -2.077 169 HD12 ILE 70 HD12 ILE 70 4.572 2.517 -1.858 170 HD13 ILE 70 HD13 ILE 70 5.989 3.209 -2.648 171 H ASP 71 H ASP 71 5.577 3.151 -8.332 172 HA ASP 71 HA ASP 71 7.543 1.357 -9.588 173 HB2 ASP 71 HB2 ASP 71 5.285 1.804 -10.718 174 HB3 ASP 71 HB3 ASP 71 5.884 3.433 -11.010 175 H VAL 72 H VAL 72 9.527 2.118 -9.991 176 HA VAL 72 HA VAL 72 10.114 4.842 -10.492 177 HB VAL 72 HB VAL 72 9.799 5.103 -8.086 178 HG11 VAL 72 HG11 VAL 72 11.366 3.966 -6.512 179 HG12 VAL 72 HG12 VAL 72 11.868 2.934 -7.853 180 HG13 VAL 72 HG13 VAL 72 10.200 2.889 -7.282 181 HG21 VAL 72 HG21 VAL 72 12.004 6.038 -7.505 182 HG22 VAL 72 HG22 VAL 72 11.488 6.487 -9.131 183 HG23 VAL 72 HG23 VAL 72 12.699 5.223 -8.907 184 H ASN 73 H ASN 73 11.284 1.693 -9.458 185 HA ASN 73 HA ASN 73 13.744 2.113 -10.985 186 HB2 ASN 73 HB2 ASN 73 14.571 0.074 -9.853 187 HB3 ASN 73 HB3 ASN 73 14.103 1.328 -8.712 188 HD21 ASN 73 HD21 ASN 73 14.373 -1.544 -8.353 189 HD22 ASN 73 HD22 ASN 73 12.834 -2.111 -7.784 190 H GLU 74 H GLU 74 14.294 0.854 -12.690 191 HA GLU 74 HA GLU 74 12.009 -0.475 -13.953 192 HB2 GLU 74 HB2 GLU 74 13.025 1.386 -15.163 193 HB3 GLU 74 HB3 GLU 74 14.594 0.599 -15.094 194 HG2 GLU 74 HG2 GLU 74 13.741 -1.216 -16.491 195 HG3 GLU 74 HG3 GLU 74 12.173 -0.411 -16.568 196 H GLY 75 H GLY 75 11.988 -2.607 -14.341 197 HA2 GLY 75 HA2 GLY 75 12.820 -4.684 -14.967 198 HA3 GLY 75 HA3 GLY 75 14.452 -4.055 -14.804 199 H GLY 76 H GLY 76 14.357 -3.165 -12.165 200 HA2 GLY 76 HA2 GLY 76 14.802 -5.626 -10.793 201 HA3 GLY 76 HA3 GLY 76 14.907 -4.017 -10.098 202 HA PRO 77 HA PRO 77 11.179 -6.309 -8.431 203 HB2 PRO 77 HB2 PRO 77 11.737 -5.837 -5.797 204 HB3 PRO 77 HB3 PRO 77 12.283 -7.272 -6.673 205 HG2 PRO 77 HG2 PRO 77 13.781 -4.779 -5.994 206 HG3 PRO 77 HG3 PRO 77 14.338 -6.462 -5.985 207 HD2 PRO 77 HD2 PRO 77 14.922 -4.723 -7.989 208 HD3 PRO 77 HD3 PRO 77 14.747 -6.467 -8.254 209 H SER 78 H SER 78 9.342 -5.234 -8.200 210 HA SER 78 HA SER 78 9.411 -2.348 -7.888 211 HB2 SER 78 HB2 SER 78 7.117 -4.245 -8.456 212 HB3 SER 78 HB3 SER 78 7.006 -2.484 -8.473 213 HG SER 78 HG SER 78 9.044 -3.105 -10.008 214 H TYR 79 H TYR 79 7.916 -1.262 -6.358 215 HA TYR 79 HA TYR 79 8.169 -2.611 -3.776 216 HB2 TYR 79 HB2 TYR 79 7.513 0.255 -4.488 217 HB3 TYR 79 HB3 TYR 79 7.662 -0.350 -2.847 218 HD1 TYR 79 HD1 TYR 79 10.087 -1.983 -2.972 219 HD2 TYR 79 HD2 TYR 79 9.222 1.756 -4.806 220 HE1 TYR 79 HE1 TYR 79 12.485 -1.438 -2.985 221 HE2 TYR 79 HE2 TYR 79 11.617 2.310 -4.824 222 HH TYR 79 HH TYR 79 13.656 1.673 -3.535 223 H LYS 80 H LYS 80 6.418 -3.563 -2.890 224 HA LYS 80 HA LYS 80 3.803 -2.545 -3.764 225 HB2 LYS 80 HB2 LYS 80 4.370 -5.331 -2.715 226 HB3 LYS 80 HB3 LYS 80 2.854 -4.745 -3.382 227 HG2 LYS 80 HG2 LYS 80 5.425 -5.058 -4.892 228 HG3 LYS 80 HG3 LYS 80 4.063 -6.166 -4.953 229 HD2 LYS 80 HD2 LYS 80 3.648 -3.282 -5.593 230 HD3 LYS 80 HD3 LYS 80 4.378 -4.333 -6.801 231 HE2 LYS 80 HE2 LYS 80 2.248 -5.824 -5.965 232 HE3 LYS 80 HE3 LYS 80 1.616 -4.181 -5.843 233 HZ1 LYS 80 HZ1 LYS 80 2.060 -3.798 -8.123 234 HZ2 LYS 80 HZ2 LYS 80 1.266 -5.292 -8.034 235 HZ3 LYS 80 HZ3 LYS 80 2.938 -5.239 -8.278 236 H LEU 81 H LEU 81 2.436 -1.834 -2.237 237 HA LEU 81 HA LEU 81 3.411 -1.902 0.550 238 HB2 LEU 81 HB2 LEU 81 3.021 0.239 -1.001 239 HB3 LEU 81 HB3 LEU 81 1.410 0.097 -0.353 240 HG LEU 81 HG LEU 81 3.928 0.906 0.970 241 HD11 LEU 81 HD11 LEU 81 2.518 2.545 1.959 242 HD12 LEU 81 HD12 LEU 81 1.075 1.689 1.424 243 HD13 LEU 81 HD13 LEU 81 2.134 2.456 0.239 244 HD21 LEU 81 HD21 LEU 81 2.996 0.403 3.192 245 HD22 LEU 81 HD22 LEU 81 3.366 -1.052 2.268 246 HD23 LEU 81 HD23 LEU 81 1.696 -0.508 2.424 247 HA PRO 82 HA PRO 82 -0.454 -4.435 0.708 248 HB2 PRO 82 HB2 PRO 82 0.902 -5.255 3.205 249 HB3 PRO 82 HB3 PRO 82 0.155 -6.244 1.953 250 HG2 PRO 82 HG2 PRO 82 2.781 -6.118 2.141 251 HG3 PRO 82 HG3 PRO 82 1.998 -6.098 0.550 252 HD2 PRO 82 HD2 PRO 82 3.130 -3.806 2.118 253 HD3 PRO 82 HD3 PRO 82 3.278 -4.159 0.387 254 H TYR 83 H TYR 83 -2.151 -3.312 1.342 255 HA TYR 83 HA TYR 83 -2.158 -2.106 4.022 256 HB2 TYR 83 HB2 TYR 83 -1.954 -0.309 2.465 257 HB3 TYR 83 HB3 TYR 83 -3.152 -1.009 1.389 258 HD1 TYR 83 HD1 TYR 83 -3.137 -0.124 5.018 259 HD2 TYR 83 HD2 TYR 83 -5.015 0.337 1.242 260 HE1 TYR 83 HE1 TYR 83 -4.827 1.323 6.052 261 HE2 TYR 83 HE2 TYR 83 -6.731 1.774 2.264 262 HH TYR 83 HH TYR 83 -6.429 2.938 5.527 263 H ASN 84 H ASN 84 -3.722 -2.916 5.294 264 HA ASN 84 HA ASN 84 -6.129 -4.101 4.076 265 HB2 ASN 84 HB2 ASN 84 -5.529 -3.823 7.044 266 HB3 ASN 84 HB3 ASN 84 -6.728 -4.862 6.288 267 HD21 ASN 84 HD21 ASN 84 -3.457 -4.467 7.212 268 HD22 ASN 84 HD22 ASN 84 -2.925 -6.069 6.807 269 H THR 85 H THR 85 -8.185 -3.166 4.491 270 HA THR 85 HA THR 85 -7.980 -0.380 4.156 271 HB THR 85 HB THR 85 -10.528 -0.482 4.158 272 HG1 THR 85 HG1 THR 85 -10.273 -3.268 3.918 273 HG21 THR 85 HG21 THR 85 -8.725 -0.932 2.250 274 HG22 THR 85 HG22 THR 85 -10.460 -1.058 1.957 275 HG23 THR 85 HG23 THR 85 -9.507 -2.512 2.254 276 H SER 86 H SER 86 -8.083 -2.088 7.027 277 HA SER 86 HA SER 86 -9.244 0.186 8.473 278 HB2 SER 86 HB2 SER 86 -8.688 -2.621 9.439 279 HB3 SER 86 HB3 SER 86 -9.447 -1.339 10.385 280 HG SER 86 HG SER 86 -11.070 -1.274 8.669 281 H ASP 87 H ASP 87 -6.363 -0.529 7.356 282 HA ASP 87 HA ASP 87 -4.783 -0.225 9.776 283 HB2 ASP 87 HB2 ASP 87 -4.155 -0.719 6.904 284 HB3 ASP 87 HB3 ASP 87 -2.912 0.005 7.916 285 H ASP 88 H ASP 88 -3.236 1.469 10.082 286 HA ASP 88 HA ASP 88 -4.234 4.047 9.121 287 HB2 ASP 88 HB2 ASP 88 -2.219 3.391 11.289 288 HB3 ASP 88 HB3 ASP 88 -2.722 5.020 10.837 289 HA PRO 89 HA PRO 89 -1.437 4.609 5.915 290 HB2 PRO 89 HB2 PRO 89 -0.652 7.234 6.348 291 HB3 PRO 89 HB3 PRO 89 -2.091 6.724 5.469 292 HG2 PRO 89 HG2 PRO 89 -1.816 7.625 8.300 293 HG3 PRO 89 HG3 PRO 89 -3.124 7.935 7.144 294 HD2 PRO 89 HD2 PRO 89 -3.405 6.153 9.094 295 HD3 PRO 89 HD3 PRO 89 -4.083 5.849 7.487 296 H TRP 90 H TRP 90 -0.054 6.487 8.609 297 HA TRP 90 HA TRP 90 2.557 6.160 7.574 298 HB2 TRP 90 HB2 TRP 90 1.602 7.152 10.254 299 HB3 TRP 90 HB3 TRP 90 3.289 7.164 9.753 300 HD1 TRP 90 HD1 TRP 90 3.938 8.836 7.703 301 HE1 TRP 90 HE1 TRP 90 2.845 11.040 6.934 302 HE3 TRP 90 HE3 TRP 90 -0.576 8.374 10.058 303 HZ2 TRP 90 HZ2 TRP 90 0.395 12.395 7.279 304 HZ3 TRP 90 HZ3 TRP 90 -2.239 10.166 9.784 305 HH2 TRP 90 HH2 TRP 90 -1.762 12.135 8.425 306 H LEU 91 H LEU 91 0.632 4.304 9.763 307 HA LEU 91 HA LEU 91 2.806 2.822 10.897 308 HB2 LEU 91 HB2 LEU 91 -0.077 1.965 10.632 309 HB3 LEU 91 HB3 LEU 91 1.105 1.340 11.763 310 HG LEU 91 HG LEU 91 -0.169 4.058 11.798 311 HD11 LEU 91 HD11 LEU 91 -0.991 3.368 13.965 312 HD12 LEU 91 HD12 LEU 91 -0.215 1.807 13.752 313 HD13 LEU 91 HD13 LEU 91 -1.538 2.275 12.694 314 HD21 LEU 91 HD21 LEU 91 1.211 4.624 13.653 315 HD22 LEU 91 HD22 LEU 91 2.256 4.113 12.324 316 HD23 LEU 91 HD23 LEU 91 1.936 3.015 13.666 317 H THR 92 H THR 92 0.367 2.109 8.426 318 HA THR 92 HA THR 92 1.314 -0.371 7.577 319 HB THR 92 HB THR 92 -0.041 1.767 5.926 320 HG1 THR 92 HG1 THR 92 -1.336 1.326 7.669 321 HG21 THR 92 HG21 THR 92 0.789 0.080 4.473 322 HG22 THR 92 HG22 THR 92 -0.940 -0.216 4.675 323 HG23 THR 92 HG23 THR 92 0.232 -1.209 5.544 324 H ALA 93 H ALA 93 2.092 2.888 6.496 325 HA ALA 93 HA ALA 93 3.741 2.118 4.328 326 HB1 ALA 93 HB1 ALA 93 2.667 4.266 4.368 327 HB2 ALA 93 HB2 ALA 93 4.413 4.504 4.376 328 HB3 ALA 93 HB3 ALA 93 3.490 4.697 5.865 329 H TYR 94 H TYR 94 4.326 3.016 7.686 330 HA TYR 94 HA TYR 94 7.134 3.139 7.597 331 HB2 TYR 94 HB2 TYR 94 5.469 3.878 9.451 332 HB3 TYR 94 HB3 TYR 94 5.576 2.206 9.997 333 HD1 TYR 94 HD1 TYR 94 7.839 1.274 10.580 334 HD2 TYR 94 HD2 TYR 94 7.147 5.424 10.043 335 HE1 TYR 94 HE1 TYR 94 9.896 1.767 11.840 336 HE2 TYR 94 HE2 TYR 94 9.202 5.939 11.293 337 HH TYR 94 HH TYR 94 10.673 4.934 12.917 338 H ASN 95 H ASN 95 4.868 0.517 8.286 339 HA ASN 95 HA ASN 95 6.703 -1.472 8.967 340 HB2 ASN 95 HB2 ASN 95 4.261 -1.703 9.264 341 HB3 ASN 95 HB3 ASN 95 4.069 -1.825 7.516 342 HD21 ASN 95 HD21 ASN 95 4.643 -3.721 6.478 343 HD22 ASN 95 HD22 ASN 95 5.023 -5.178 7.329 344 H PHE 96 H PHE 96 5.282 -0.747 5.772 345 HA PHE 96 HA PHE 96 6.818 -2.662 4.371 346 HB2 PHE 96 HB2 PHE 96 4.872 -1.853 3.293 347 HB3 PHE 96 HB3 PHE 96 5.383 -0.176 3.456 348 HD1 PHE 96 HD1 PHE 96 6.687 -3.362 2.010 349 HD2 PHE 96 HD2 PHE 96 6.170 0.841 1.546 350 HE1 PHE 96 HE1 PHE 96 7.735 -3.482 -0.212 351 HE2 PHE 96 HE2 PHE 96 7.214 0.724 -0.676 352 HZ PHE 96 HZ PHE 96 7.998 -1.438 -1.558 353 H LEU 97 H LEU 97 7.366 0.712 5.160 354 HA LEU 97 HA LEU 97 9.586 1.149 3.526 355 HB2 LEU 97 HB2 LEU 97 8.157 2.619 5.362 356 HB3 LEU 97 HB3 LEU 97 9.735 2.484 6.117 357 HG LEU 97 HG LEU 97 10.758 3.393 4.045 358 HD11 LEU 97 HD11 LEU 97 7.913 3.948 3.227 359 HD12 LEU 97 HD12 LEU 97 8.900 2.641 2.573 360 HD13 LEU 97 HD13 LEU 97 9.384 4.320 2.323 361 HD21 LEU 97 HD21 LEU 97 9.918 4.775 6.058 362 HD22 LEU 97 HD22 LEU 97 8.635 5.292 4.962 363 HD23 LEU 97 HD23 LEU 97 10.320 5.612 4.560 364 H GLN 98 H GLN 98 9.384 -0.161 6.819 365 HA GLN 98 HA GLN 98 12.242 -0.482 6.971 366 HB2 GLN 98 HB2 GLN 98 10.039 -1.543 8.734 367 HB3 GLN 98 HB3 GLN 98 11.757 -1.710 9.074 368 HG2 GLN 98 HG2 GLN 98 10.262 0.888 8.805 369 HG3 GLN 98 HG3 GLN 98 10.740 0.127 10.315 370 HE21 GLN 98 HE21 GLN 98 11.968 1.886 10.940 371 HE22 GLN 98 HE22 GLN 98 13.483 2.277 10.210 372 H LYS 99 H LYS 99 9.526 -2.419 6.006 373 HA LYS 99 HA LYS 99 10.741 -4.960 6.095 374 HB2 LYS 99 HB2 LYS 99 8.336 -4.683 5.920 375 HB3 LYS 99 HB3 LYS 99 8.502 -3.887 4.367 376 HG2 LYS 99 HG2 LYS 99 9.469 -6.693 4.725 377 HG3 LYS 99 HG3 LYS 99 7.755 -6.363 4.476 378 HD2 LYS 99 HD2 LYS 99 8.394 -5.096 2.403 379 HD3 LYS 99 HD3 LYS 99 10.043 -5.671 2.633 380 HE2 LYS 99 HE2 LYS 99 7.626 -7.445 2.309 381 HE3 LYS 99 HE3 LYS 99 8.761 -7.036 1.022 382 HZ1 LYS 99 HZ1 LYS 99 9.258 -9.191 2.018 383 HZ2 LYS 99 HZ2 LYS 99 9.457 -8.464 3.533 384 HZ3 LYS 99 HZ3 LYS 99 10.526 -8.093 2.268 385 H ASN 100 H ASN 100 10.538 -2.520 3.520 386 HA ASN 100 HA ASN 100 12.171 -4.244 1.812 387 HB2 ASN 100 HB2 ASN 100 10.041 -2.797 1.121 388 HB3 ASN 100 HB3 ASN 100 11.271 -1.561 0.886 389 HD21 ASN 100 HD21 ASN 100 13.012 -2.024 -0.584 390 HD22 ASN 100 HD22 ASN 100 12.753 -3.111 -1.902 391 H ASP 101 H ASP 101 12.699 -2.149 4.175 392 HA ASP 101 HA ASP 101 14.341 -0.761 4.876 393 HB2 ASP 101 HB2 ASP 101 15.713 -2.781 4.303 394 HB3 ASP 101 HB3 ASP 101 16.042 -2.046 2.740 395 H LEU 102 H LEU 102 12.737 0.722 3.639 396 HA LEU 102 HA LEU 102 14.086 2.148 1.465 397 HB2 LEU 102 HB2 LEU 102 11.303 2.397 2.604 398 HB3 LEU 102 HB3 LEU 102 11.934 3.435 1.353 399 HG LEU 102 HG LEU 102 11.069 2.043 -0.123 400 HD11 LEU 102 HD11 LEU 102 12.157 -0.047 -0.634 401 HD12 LEU 102 HD12 LEU 102 12.949 -0.030 0.942 402 HD13 LEU 102 HD13 LEU 102 13.350 1.199 -0.259 403 HD21 LEU 102 HD21 LEU 102 9.404 1.215 1.218 404 HD22 LEU 102 HD22 LEU 102 10.532 0.392 2.286 405 HD23 LEU 102 HD23 LEU 102 10.208 -0.262 0.680 406 H ASN 103 H ASN 103 13.643 4.580 1.581 407 HA ASN 103 HA ASN 103 14.862 5.614 3.988 408 HB2 ASN 103 HB2 ASN 103 15.410 6.289 1.578 409 HB3 ASN 103 HB3 ASN 103 13.870 7.118 1.581 410 HD21 ASN 103 HD21 ASN 103 16.794 7.930 1.441 411 HD22 ASN 103 HD22 ASN 103 16.897 9.235 2.578 412 HA PRO 104 HA PRO 104 11.071 6.687 6.063 413 HB2 PRO 104 HB2 PRO 104 12.726 8.953 7.057 414 HB3 PRO 104 HB3 PRO 104 11.779 7.769 7.966 415 HG2 PRO 104 HG2 PRO 104 14.421 7.575 7.885 416 HG3 PRO 104 HG3 PRO 104 13.414 6.120 7.767 417 HD2 PRO 104 HD2 PRO 104 14.842 7.622 5.604 418 HD3 PRO 104 HD3 PRO 104 14.680 5.871 5.824 419 H MET 105 H MET 105 12.816 8.760 3.949 420 HA MET 105 HA MET 105 11.112 10.992 3.840 421 HB2 MET 105 HB2 MET 105 13.396 10.836 2.846 422 HB3 MET 105 HB3 MET 105 12.741 9.789 1.601 423 HG2 MET 105 HG2 MET 105 12.968 12.009 0.735 424 HG3 MET 105 HG3 MET 105 11.257 11.606 0.878 425 HE1 MET 105 HE1 MET 105 13.752 12.635 3.754 426 HE2 MET 105 HE2 MET 105 13.508 14.380 3.806 427 HE3 MET 105 HE3 MET 105 14.256 13.633 2.393 428 H PHE 106 H PHE 106 10.715 7.757 2.735 429 HA PHE 106 HA PHE 106 8.848 8.435 0.619 430 HB2 PHE 106 HB2 PHE 106 9.847 5.819 1.719 431 HB3 PHE 106 HB3 PHE 106 8.606 5.908 0.482 432 HD1 PHE 106 HD1 PHE 106 9.283 7.429 -1.592 433 HD2 PHE 106 HD2 PHE 106 12.030 5.522 1.055 434 HE1 PHE 106 HE1 PHE 106 11.024 7.526 -3.329 435 HE2 PHE 106 HE2 PHE 106 13.766 5.621 -0.681 436 HZ PHE 106 HZ PHE 106 13.267 6.621 -2.874 437 H LEU 107 H LEU 107 8.773 7.788 3.948 438 HA LEU 107 HA LEU 107 6.553 6.198 4.337 439 HB2 LEU 107 HB2 LEU 107 8.076 6.694 6.106 440 HB3 LEU 107 HB3 LEU 107 7.732 8.408 6.022 441 HG LEU 107 HG LEU 107 5.517 8.035 6.962 442 HD11 LEU 107 HD11 LEU 107 6.264 5.131 7.170 443 HD12 LEU 107 HD12 LEU 107 5.231 5.787 5.909 444 HD13 LEU 107 HD13 LEU 107 4.725 5.884 7.596 445 HD21 LEU 107 HD21 LEU 107 7.528 8.251 8.441 446 HD22 LEU 107 HD22 LEU 107 7.541 6.486 8.561 447 HD23 LEU 107 HD23 LEU 107 6.160 7.407 9.166 448 H ASP 108 H ASP 108 6.606 9.762 4.107 449 HA ASP 108 HA ASP 108 3.865 10.093 4.657 450 HB2 ASP 108 HB2 ASP 108 5.769 11.860 3.107 451 HB3 ASP 108 HB3 ASP 108 4.140 12.335 3.573 452 H GLN 109 H GLN 109 5.615 9.683 1.617 453 HA GLN 109 HA GLN 109 3.507 10.236 -0.144 454 HB2 GLN 109 HB2 GLN 109 5.637 10.230 -1.100 455 HB3 GLN 109 HB3 GLN 109 6.092 8.718 -0.329 456 HG2 GLN 109 HG2 GLN 109 4.586 7.514 -1.819 457 HG3 GLN 109 HG3 GLN 109 4.161 9.032 -2.614 458 HE21 GLN 109 HE21 GLN 109 5.411 6.629 -3.711 459 HE22 GLN 109 HE22 GLN 109 6.913 7.144 -4.394 460 H VAL 110 H VAL 110 4.735 7.104 1.028 461 HA VAL 110 HA VAL 110 2.767 5.544 -0.247 462 HB VAL 110 HB VAL 110 3.422 3.879 1.698 463 HG11 VAL 110 HG11 VAL 110 5.127 3.049 0.349 464 HG12 VAL 110 HG12 VAL 110 5.621 4.665 -0.132 465 HG13 VAL 110 HG13 VAL 110 4.140 3.975 -0.781 466 HG21 VAL 110 HG21 VAL 110 5.424 4.293 2.810 467 HG22 VAL 110 HG22 VAL 110 4.531 5.804 2.948 468 HG23 VAL 110 HG23 VAL 110 5.822 5.656 1.764 469 H ALA 111 H ALA 111 2.941 6.908 3.012 470 HA ALA 111 HA ALA 111 0.605 5.723 4.046 471 HB1 ALA 111 HB1 ALA 111 1.902 8.333 4.804 472 HB2 ALA 111 HB2 ALA 111 2.287 6.744 5.472 473 HB3 ALA 111 HB3 ALA 111 0.701 7.467 5.758 474 H LYS 112 H LYS 112 1.082 8.863 2.424 475 HA LYS 112 HA LYS 112 -1.606 9.702 2.770 476 HB2 LYS 112 HB2 LYS 112 0.545 10.573 0.834 477 HB3 LYS 112 HB3 LYS 112 -1.045 11.330 0.908 478 HG2 LYS 112 HG2 LYS 112 0.941 11.170 3.167 479 HG3 LYS 112 HG3 LYS 112 0.602 12.594 2.183 480 HD2 LYS 112 HD2 LYS 112 -1.470 11.176 3.854 481 HD3 LYS 112 HD3 LYS 112 -0.525 12.550 4.427 482 HE2 LYS 112 HE2 LYS 112 -2.344 12.561 2.022 483 HE3 LYS 112 HE3 LYS 112 -2.746 13.214 3.610 484 HZ1 LYS 112 HZ1 LYS 112 -2.034 14.996 2.221 485 HZ2 LYS 112 HZ2 LYS 112 -0.627 14.176 1.761 486 HZ3 LYS 112 HZ3 LYS 112 -0.808 14.720 3.361 487 H PHE 113 H PHE 113 -0.036 7.726 0.300 488 HA PHE 113 HA PHE 113 -2.306 7.763 -1.440 489 HB2 PHE 113 HB2 PHE 113 0.128 7.024 -2.003 490 HB3 PHE 113 HB3 PHE 113 -0.369 5.462 -1.352 491 HD1 PHE 113 HD1 PHE 113 -2.389 4.329 -2.364 492 HD2 PHE 113 HD2 PHE 113 -0.460 7.659 -4.176 493 HE1 PHE 113 HE1 PHE 113 -3.471 3.782 -4.507 494 HE2 PHE 113 HE2 PHE 113 -1.535 7.120 -6.323 495 HZ PHE 113 HZ PHE 113 -3.044 5.181 -6.489 496 H ILE 114 H ILE 114 -1.132 5.578 1.086 497 HA ILE 114 HA ILE 114 -3.125 3.693 1.215 498 HB ILE 114 HB ILE 114 -1.620 5.131 3.370 499 HG12 ILE 114 HG12 ILE 114 -1.423 2.223 2.725 500 HG13 ILE 114 HG13 ILE 114 -0.631 3.400 1.681 501 HG21 ILE 114 HG21 ILE 114 -4.028 3.842 3.808 502 HG22 ILE 114 HG22 ILE 114 -2.803 4.239 5.007 503 HG23 ILE 114 HG23 ILE 114 -2.803 2.649 4.246 504 HD11 ILE 114 HD11 ILE 114 0.682 2.338 3.626 505 HD12 ILE 114 HD12 ILE 114 -0.209 3.493 4.623 506 HD13 ILE 114 HD13 ILE 114 0.822 4.066 3.319 507 H ILE 115 H ILE 115 -3.049 6.841 2.799 508 HA ILE 115 HA ILE 115 -5.554 6.928 3.935 509 HB ILE 115 HB ILE 115 -3.695 9.023 2.897 510 HG12 ILE 115 HG12 ILE 115 -4.761 8.423 5.651 511 HG13 ILE 115 HG13 ILE 115 -3.268 7.759 4.997 512 HG21 ILE 115 HG21 ILE 115 -5.102 10.738 3.075 513 HG22 ILE 115 HG22 ILE 115 -5.891 10.047 4.477 514 HG23 ILE 115 HG23 ILE 115 -6.369 9.523 2.870 515 HD11 ILE 115 HD11 ILE 115 -3.687 10.714 5.117 516 HD12 ILE 115 HD12 ILE 115 -2.187 9.783 5.084 517 HD13 ILE 115 HD13 ILE 115 -3.173 9.810 6.541 518 H ASP 116 H ASP 116 -4.614 7.999 0.667 519 HA ASP 116 HA ASP 116 -7.166 9.053 0.072 520 HB2 ASP 116 HB2 ASP 116 -5.125 9.767 -1.098 521 HB3 ASP 116 HB3 ASP 116 -5.011 8.179 -1.854 522 H ASN 117 H ASN 117 -5.777 5.875 -0.278 523 HA ASN 117 HA ASN 117 -7.633 4.778 -2.081 524 HB2 ASN 117 HB2 ASN 117 -5.507 3.678 -1.440 525 HB3 ASN 117 HB3 ASN 117 -6.165 3.367 0.163 526 HD21 ASN 117 HD21 ASN 117 -7.677 1.755 0.434 527 HD22 ASN 117 HD22 ASN 117 -8.056 0.608 -0.799 528 H THR 118 H THR 118 -7.818 5.416 1.355 529 HA THR 118 HA THR 118 -10.554 4.341 1.340 530 HB THR 118 HB THR 118 -10.273 4.577 3.913 531 HG1 THR 118 HG1 THR 118 -7.651 3.951 3.780 532 HG21 THR 118 HG21 THR 118 -8.799 2.467 2.343 533 HG22 THR 118 HG22 THR 118 -10.511 2.451 2.764 534 HG23 THR 118 HG23 THR 118 -9.289 2.324 4.030 535 H LYS 119 H LYS 119 -9.137 7.082 0.699 536 HA LYS 119 HA LYS 119 -10.860 8.813 2.303 537 HB2 LYS 119 HB2 LYS 119 -8.654 9.677 2.249 538 HB3 LYS 119 HB3 LYS 119 -8.481 9.337 0.531 539 HG2 LYS 119 HG2 LYS 119 -9.778 11.164 -0.095 540 HG3 LYS 119 HG3 LYS 119 -10.481 11.339 1.516 541 HD2 LYS 119 HD2 LYS 119 -8.874 13.106 1.147 542 HD3 LYS 119 HD3 LYS 119 -8.270 12.005 2.383 543 HE2 LYS 119 HE2 LYS 119 -6.458 12.589 0.921 544 HE3 LYS 119 HE3 LYS 119 -6.881 10.902 0.649 545 HZ1 LYS 119 HZ1 LYS 119 -6.468 12.378 -1.374 546 HZ2 LYS 119 HZ2 LYS 119 -7.995 13.043 -1.059 547 HZ3 LYS 119 HZ3 LYS 119 -7.841 11.386 -1.395 548 H GLY 120 H GLY 120 -9.853 9.160 -1.088 549 HA2 GLY 120 HA2 GLY 120 -12.680 8.932 -1.878 550 HA3 GLY 120 HA3 GLY 120 -11.771 10.365 -2.333 551 H GLN 121 H GLN 121 -9.477 8.146 -2.459 552 HA GLN 121 HA GLN 121 -8.341 7.147 -4.126 553 HB2 GLN 121 HB2 GLN 121 -11.139 6.406 -4.995 554 HB3 GLN 121 HB3 GLN 121 -9.680 5.750 -5.732 555 HG2 GLN 121 HG2 GLN 121 -9.032 4.707 -3.682 556 HG3 GLN 121 HG3 GLN 121 -10.323 5.520 -2.802 557 HE21 GLN 121 HE21 GLN 121 -12.413 4.774 -2.970 558 HE22 GLN 121 HE22 GLN 121 -12.796 3.225 -3.651 559 H MET 122 H MET 122 -7.468 9.006 -4.858 560 HA MET 122 HA MET 122 -6.832 10.524 -6.400 561 HB2 MET 122 HB2 MET 122 -7.510 9.039 -8.226 562 HB3 MET 122 HB3 MET 122 -9.172 9.591 -8.075 563 HG2 MET 122 HG2 MET 122 -7.958 10.626 -9.955 564 HG3 MET 122 HG3 MET 122 -8.576 11.793 -8.789 565 HE1 MET 122 HE1 MET 122 -4.139 10.536 -9.042 566 HE2 MET 122 HE2 MET 122 -5.402 9.884 -10.087 567 HE3 MET 122 HE3 MET 122 -5.392 9.494 -8.367 568 H LEU 123 H LEU 123 -7.013 12.413 -5.598 569 HA LEU 123 HA LEU 123 -7.767 14.463 -5.010 570 HB2 LEU 123 HB2 LEU 123 -9.125 14.301 -7.143 571 HB3 LEU 123 HB3 LEU 123 -10.454 13.731 -6.162 572 HG LEU 123 HG LEU 123 -10.474 15.853 -4.933 573 HD11 LEU 123 HD11 LEU 123 -8.280 16.647 -6.844 574 HD12 LEU 123 HD12 LEU 123 -8.119 16.418 -5.101 575 HD13 LEU 123 HD13 LEU 123 -9.116 17.731 -5.731 576 HD21 LEU 123 HD21 LEU 123 -11.395 17.210 -6.679 577 HD22 LEU 123 HD22 LEU 123 -11.803 15.524 -7.007 578 HD23 LEU 123 HD23 LEU 123 -10.507 16.310 -7.908 579 H GLY 124 H GLY 124 -10.772 12.609 -4.704 580 HA2 GLY 124 HA2 GLY 124 -10.898 11.644 -2.277 581 HA3 GLY 124 HA3 GLY 124 -10.841 13.352 -1.868 582 H LEU 125 H LEU 125 -12.913 12.947 -0.855 583 HA LEU 125 HA LEU 125 -15.140 12.720 -2.752 584 HB2 LEU 125 HB2 LEU 125 -14.989 12.357 0.235 585 HB3 LEU 125 HB3 LEU 125 -16.504 12.413 -0.639 586 HG LEU 125 HG LEU 125 -14.323 10.358 -1.014 587 HD11 LEU 125 HD11 LEU 125 -15.948 8.810 -0.025 588 HD12 LEU 125 HD12 LEU 125 -17.036 10.163 0.280 589 HD13 LEU 125 HD13 LEU 125 -15.477 10.086 1.098 590 HD21 LEU 125 HD21 LEU 125 -15.550 10.823 -3.089 591 HD22 LEU 125 HD22 LEU 125 -17.071 10.510 -2.249 592 HD23 LEU 125 HD23 LEU 125 -15.896 9.211 -2.464 593 H GLY 126 H GLY 126 -15.188 14.189 0.419 594 HA2 GLY 126 HA2 GLY 126 -14.783 16.848 -0.131 595 HA3 GLY 126 HA3 GLY 126 -16.471 16.554 -0.538 596 H ASN 127 H ASN 127 -17.780 17.127 1.036 597 HA ASN 127 HA ASN 127 -16.885 16.727 3.817 598 HB2 ASN 127 HB2 ASN 127 -18.749 18.751 2.590 599 HB3 ASN 127 HB3 ASN 127 -18.798 18.392 4.311 600 HD21 ASN 127 HD21 ASN 127 -18.106 20.862 2.927 601 HD22 ASN 127 HD22 ASN 127 -16.518 21.279 3.480 602 HA PRO 128 HA PRO 128 -19.961 13.412 3.326 603 HB2 PRO 128 HB2 PRO 128 -18.799 12.623 5.927 604 HB3 PRO 128 HB3 PRO 128 -18.989 11.677 4.446 605 HG2 PRO 128 HG2 PRO 128 -16.584 12.539 5.229 606 HG3 PRO 128 HG3 PRO 128 -17.032 12.499 3.513 607 HD2 PRO 128 HD2 PRO 128 -16.957 14.829 5.398 608 HD3 PRO 128 HD3 PRO 128 -16.418 14.732 3.707 Start of MODEL 13 1 H1 ALA 49 H1 ALA 49 -2.017 -25.362 0.714 2 H2 ALA 49 H2 ALA 49 -2.768 -24.294 -0.362 3 H3 ALA 49 H3 ALA 49 -2.100 -23.708 1.082 4 HA ALA 49 HA ALA 49 0.101 -24.243 0.353 5 HB1 ALA 49 HB1 ALA 49 0.512 -25.110 -1.882 6 HB2 ALA 49 HB2 ALA 49 -1.224 -25.188 -2.186 7 HB3 ALA 49 HB3 ALA 49 -0.497 -26.224 -0.958 8 H ASN 50 H ASN 50 -2.135 -23.297 -2.269 9 HA ASN 50 HA ASN 50 -1.584 -20.514 -1.930 10 HB2 ASN 50 HB2 ASN 50 0.499 -21.244 -3.097 11 HB3 ASN 50 HB3 ASN 50 -0.489 -21.807 -4.441 12 HD21 ASN 50 HD21 ASN 50 0.483 -20.389 -5.879 13 HD22 ASN 50 HD22 ASN 50 0.176 -18.681 -5.844 14 H GLN 51 H GLN 51 -3.129 -19.281 -2.898 15 HA GLN 51 HA GLN 51 -5.080 -20.699 -4.596 16 HB2 GLN 51 HB2 GLN 51 -5.612 -18.673 -2.418 17 HB3 GLN 51 HB3 GLN 51 -6.828 -19.265 -3.537 18 HG2 GLN 51 HG2 GLN 51 -5.287 -21.094 -1.727 19 HG3 GLN 51 HG3 GLN 51 -6.771 -20.292 -1.221 20 HE21 GLN 51 HE21 GLN 51 -6.103 -21.551 -4.445 21 HE22 GLN 51 HE22 GLN 51 -7.324 -22.778 -4.409 22 H GLN 52 H GLN 52 -6.723 -18.534 -5.127 23 HA GLN 52 HA GLN 52 -4.927 -16.601 -6.432 24 HB2 GLN 52 HB2 GLN 52 -7.651 -17.489 -7.412 25 HB3 GLN 52 HB3 GLN 52 -6.578 -16.348 -8.212 26 HG2 GLN 52 HG2 GLN 52 -4.909 -18.200 -8.424 27 HG3 GLN 52 HG3 GLN 52 -6.151 -19.299 -7.828 28 HE21 GLN 52 HE21 GLN 52 -7.974 -19.699 -9.110 29 HE22 GLN 52 HE22 GLN 52 -7.968 -19.387 -10.809 30 H THR 53 H THR 53 -8.315 -17.000 -5.526 31 HA THR 53 HA THR 53 -9.844 -15.703 -4.537 32 HB THR 53 HB THR 53 -8.922 -14.537 -2.390 33 HG1 THR 53 HG1 THR 53 -6.867 -14.823 -2.028 34 HG21 THR 53 HG21 THR 53 -8.900 -17.532 -2.754 35 HG22 THR 53 HG22 THR 53 -10.330 -16.539 -2.472 36 HG23 THR 53 HG23 THR 53 -9.090 -16.671 -1.228 37 H SER 54 H SER 54 -10.659 -14.140 -5.663 38 HA SER 54 HA SER 54 -9.250 -11.731 -6.301 39 HB2 SER 54 HB2 SER 54 -11.087 -12.829 -7.694 40 HB3 SER 54 HB3 SER 54 -12.232 -12.201 -6.513 41 HG SER 54 HG SER 54 -11.023 -10.935 -8.568 42 H GLY 55 H GLY 55 -10.602 -9.590 -5.810 43 HA2 GLY 55 HA2 GLY 55 -11.503 -8.169 -4.196 44 HA3 GLY 55 HA3 GLY 55 -11.661 -9.545 -3.110 45 H LYS 56 H LYS 56 -9.336 -10.493 -2.579 46 HA LYS 56 HA LYS 56 -7.828 -8.286 -1.449 47 HB2 LYS 56 HB2 LYS 56 -7.983 -11.220 -0.955 48 HB3 LYS 56 HB3 LYS 56 -6.501 -10.380 -0.516 49 HG2 LYS 56 HG2 LYS 56 -7.932 -10.499 1.398 50 HG3 LYS 56 HG3 LYS 56 -7.826 -8.827 0.855 51 HD2 LYS 56 HD2 LYS 56 -9.992 -9.113 -0.309 52 HD3 LYS 56 HD3 LYS 56 -10.104 -10.736 0.377 53 HE2 LYS 56 HE2 LYS 56 -9.875 -8.184 1.961 54 HE3 LYS 56 HE3 LYS 56 -11.377 -9.064 1.677 55 HZ1 LYS 56 HZ1 LYS 56 -9.000 -10.154 3.091 56 HZ2 LYS 56 HZ2 LYS 56 -10.487 -10.939 2.875 57 HZ3 LYS 56 HZ3 LYS 56 -10.392 -9.556 3.848 58 H VAL 57 H VAL 57 -5.437 -8.402 -1.514 59 HA VAL 57 HA VAL 57 -4.580 -8.997 -4.269 60 HB VAL 57 HB VAL 57 -3.127 -7.207 -2.333 61 HG11 VAL 57 HG11 VAL 57 -3.082 -7.589 -5.303 62 HG12 VAL 57 HG12 VAL 57 -1.752 -7.709 -4.145 63 HG13 VAL 57 HG13 VAL 57 -2.440 -6.136 -4.539 64 HG21 VAL 57 HG21 VAL 57 -4.303 -5.315 -3.013 65 HG22 VAL 57 HG22 VAL 57 -5.547 -6.520 -2.677 66 HG23 VAL 57 HG23 VAL 57 -5.089 -6.166 -4.346 67 H LEU 58 H LEU 58 -3.402 -10.772 -4.460 68 HA LEU 58 HA LEU 58 -1.861 -11.795 -2.231 69 HB2 LEU 58 HB2 LEU 58 -3.138 -13.299 -3.707 70 HB3 LEU 58 HB3 LEU 58 -2.140 -12.816 -5.065 71 HG LEU 58 HG LEU 58 -0.159 -13.733 -3.758 72 HD11 LEU 58 HD11 LEU 58 -2.070 -15.413 -2.246 73 HD12 LEU 58 HD12 LEU 58 -1.781 -13.776 -1.658 74 HD13 LEU 58 HD13 LEU 58 -0.426 -14.903 -1.832 75 HD21 LEU 58 HD21 LEU 58 -0.614 -16.024 -4.429 76 HD22 LEU 58 HD22 LEU 58 -1.186 -14.898 -5.663 77 HD23 LEU 58 HD23 LEU 58 -2.335 -15.662 -4.561 78 H TYR 59 H TYR 59 0.032 -10.861 -1.829 79 HA TYR 59 HA TYR 59 1.758 -10.168 -4.115 80 HB2 TYR 59 HB2 TYR 59 2.467 -8.230 -3.075 81 HB3 TYR 59 HB3 TYR 59 0.820 -8.310 -2.462 82 HD1 TYR 59 HD1 TYR 59 0.523 -9.514 -0.166 83 HD2 TYR 59 HD2 TYR 59 4.224 -7.997 -1.596 84 HE1 TYR 59 HE1 TYR 59 1.416 -9.554 2.131 85 HE2 TYR 59 HE2 TYR 59 5.128 -8.003 0.692 86 HH TYR 59 HH TYR 59 4.276 -7.943 3.017 87 H GLU 60 H GLU 60 3.485 -11.400 -4.291 88 HA GLU 60 HA GLU 60 5.197 -12.804 -3.841 89 HB2 GLU 60 HB2 GLU 60 5.239 -11.443 -1.162 90 HB3 GLU 60 HB3 GLU 60 6.576 -12.291 -1.926 91 HG2 GLU 60 HG2 GLU 60 5.247 -9.852 -3.063 92 HG3 GLU 60 HG3 GLU 60 6.699 -9.818 -2.070 93 H GLY 61 H GLY 61 2.402 -13.487 -2.837 94 HA2 GLY 61 HA2 GLY 61 1.784 -15.748 -2.345 95 HA3 GLY 61 HA3 GLY 61 3.249 -15.905 -1.397 96 H LYS 62 H LYS 62 1.815 -12.969 -0.632 97 HA LYS 62 HA LYS 62 0.117 -14.222 1.433 98 HB2 LYS 62 HB2 LYS 62 2.277 -13.080 2.270 99 HB3 LYS 62 HB3 LYS 62 1.471 -11.580 1.853 100 HG2 LYS 62 HG2 LYS 62 -0.292 -12.002 3.388 101 HG3 LYS 62 HG3 LYS 62 0.295 -13.639 3.683 102 HD2 LYS 62 HD2 LYS 62 0.912 -12.173 5.520 103 HD3 LYS 62 HD3 LYS 62 2.342 -12.734 4.656 104 HE2 LYS 62 HE2 LYS 62 2.151 -10.593 3.315 105 HE3 LYS 62 HE3 LYS 62 1.046 -10.040 4.570 106 HZ1 LYS 62 HZ1 LYS 62 3.225 -9.279 5.102 107 HZ2 LYS 62 HZ2 LYS 62 3.887 -10.827 4.899 108 HZ3 LYS 62 HZ3 LYS 62 2.845 -10.521 6.197 109 H GLU 63 H GLU 63 -1.772 -13.076 2.008 110 HA GLU 63 HA GLU 63 -2.711 -11.369 -0.176 111 HB2 GLU 63 HB2 GLU 63 -4.149 -13.094 1.816 112 HB3 GLU 63 HB3 GLU 63 -4.994 -11.923 0.814 113 HG2 GLU 63 HG2 GLU 63 -4.315 -13.065 -1.177 114 HG3 GLU 63 HG3 GLU 63 -3.293 -14.161 -0.249 115 H PHE 64 H PHE 64 -3.417 -9.373 0.107 116 HA PHE 64 HA PHE 64 -3.921 -8.389 2.823 117 HB2 PHE 64 HB2 PHE 64 -1.841 -7.467 0.997 118 HB3 PHE 64 HB3 PHE 64 -2.908 -6.170 1.502 119 HD1 PHE 64 HD1 PHE 64 -3.189 -5.695 3.936 120 HD2 PHE 64 HD2 PHE 64 -0.263 -8.411 2.477 121 HE1 PHE 64 HE1 PHE 64 -1.994 -5.554 6.082 122 HE2 PHE 64 HE2 PHE 64 0.936 -8.280 4.624 123 HZ PHE 64 HZ PHE 64 0.069 -6.847 6.427 124 H ASP 65 H ASP 65 -5.003 -6.144 2.653 125 HA ASP 65 HA ASP 65 -7.431 -6.458 1.255 126 HB2 ASP 65 HB2 ASP 65 -6.291 -4.510 3.055 127 HB3 ASP 65 HB3 ASP 65 -7.102 -3.698 1.727 128 H TYR 66 H TYR 66 -5.052 -3.885 0.830 129 HA TYR 66 HA TYR 66 -5.253 -4.130 -2.076 130 HB2 TYR 66 HB2 TYR 66 -5.810 -1.609 -0.498 131 HB3 TYR 66 HB3 TYR 66 -5.481 -1.618 -2.226 132 HD1 TYR 66 HD1 TYR 66 -7.094 -2.624 -3.786 133 HD2 TYR 66 HD2 TYR 66 -7.930 -2.298 0.375 134 HE1 TYR 66 HE1 TYR 66 -9.473 -3.039 -4.238 135 HE2 TYR 66 HE2 TYR 66 -10.315 -2.708 -0.067 136 HH TYR 66 HH TYR 66 -11.456 -3.989 -2.896 137 H VAL 67 H VAL 67 -3.119 -4.661 -2.399 138 HA VAL 67 HA VAL 67 -1.095 -3.019 -1.110 139 HB VAL 67 HB VAL 67 0.458 -4.584 -1.559 140 HG11 VAL 67 HG11 VAL 67 -1.445 -5.684 -0.412 141 HG12 VAL 67 HG12 VAL 67 -0.378 -6.795 -1.264 142 HG13 VAL 67 HG13 VAL 67 -1.939 -6.354 -1.967 143 HG21 VAL 67 HG21 VAL 67 -0.795 -5.836 -3.948 144 HG22 VAL 67 HG22 VAL 67 0.915 -5.645 -3.533 145 HG23 VAL 67 HG23 VAL 67 -0.015 -4.266 -4.119 146 H PHE 68 H PHE 68 0.086 -1.500 -2.117 147 HA PHE 68 HA PHE 68 -0.927 -0.560 -4.674 148 HB2 PHE 68 HB2 PHE 68 -0.646 1.062 -2.849 149 HB3 PHE 68 HB3 PHE 68 1.051 0.641 -2.717 150 HD1 PHE 68 HD1 PHE 68 -1.201 1.563 -5.559 151 HD2 PHE 68 HD2 PHE 68 2.406 2.288 -3.436 152 HE1 PHE 68 HE1 PHE 68 -0.606 3.320 -7.177 153 HE2 PHE 68 HE2 PHE 68 3.011 4.051 -5.043 154 HZ PHE 68 HZ PHE 68 1.505 4.565 -6.920 155 H SER 69 H SER 69 0.348 -0.290 -6.511 156 HA SER 69 HA SER 69 2.787 -1.915 -6.508 157 HB2 SER 69 HB2 SER 69 1.309 -0.810 -8.897 158 HB3 SER 69 HB3 SER 69 2.495 -2.111 -8.885 159 HG SER 69 HG SER 69 -0.153 -2.111 -7.886 160 H ILE 70 H ILE 70 4.657 -0.918 -6.380 161 HA ILE 70 HA ILE 70 4.725 1.973 -6.888 162 HB ILE 70 HB ILE 70 6.476 0.289 -5.096 163 HG12 ILE 70 HG12 ILE 70 4.151 2.133 -4.592 164 HG13 ILE 70 HG13 ILE 70 4.357 0.464 -4.077 165 HG21 ILE 70 HG21 ILE 70 7.543 2.290 -4.383 166 HG22 ILE 70 HG22 ILE 70 6.430 3.284 -5.311 167 HG23 ILE 70 HG23 ILE 70 7.604 2.270 -6.145 168 HD11 ILE 70 HD11 ILE 70 5.663 1.044 -2.290 169 HD12 ILE 70 HD12 ILE 70 4.605 2.447 -2.396 170 HD13 ILE 70 HD13 ILE 70 6.240 2.520 -3.053 171 H ASP 71 H ASP 71 5.752 2.611 -8.621 172 HA ASP 71 HA ASP 71 7.931 0.958 -9.707 173 HB2 ASP 71 HB2 ASP 71 6.200 1.318 -11.346 174 HB3 ASP 71 HB3 ASP 71 6.181 3.050 -11.017 175 H VAL 72 H VAL 72 9.949 1.784 -9.890 176 HA VAL 72 HA VAL 72 10.581 4.523 -9.825 177 HB VAL 72 HB VAL 72 9.897 4.378 -7.475 178 HG11 VAL 72 HG11 VAL 72 12.179 2.491 -6.978 179 HG12 VAL 72 HG12 VAL 72 10.538 1.926 -7.276 180 HG13 VAL 72 HG13 VAL 72 10.875 2.958 -5.884 181 HG21 VAL 72 HG21 VAL 72 11.951 5.276 -6.458 182 HG22 VAL 72 HG22 VAL 72 11.639 5.950 -8.058 183 HG23 VAL 72 HG23 VAL 72 12.868 4.703 -7.850 184 H ASN 73 H ASN 73 11.686 1.270 -9.001 185 HA ASN 73 HA ASN 73 14.348 1.909 -10.035 186 HB2 ASN 73 HB2 ASN 73 13.348 -0.605 -8.678 187 HB3 ASN 73 HB3 ASN 73 15.015 -0.274 -9.127 188 HD21 ASN 73 HD21 ASN 73 13.817 -0.863 -6.536 189 HD22 ASN 73 HD22 ASN 73 14.229 0.461 -5.502 190 H GLU 74 H GLU 74 14.456 1.745 -12.202 191 HA GLU 74 HA GLU 74 13.156 -0.542 -13.488 192 HB2 GLU 74 HB2 GLU 74 12.869 1.678 -14.546 193 HB3 GLU 74 HB3 GLU 74 14.614 1.786 -14.760 194 HG2 GLU 74 HG2 GLU 74 14.583 -0.138 -16.221 195 HG3 GLU 74 HG3 GLU 74 12.854 -0.338 -15.959 196 H GLY 75 H GLY 75 14.256 -2.282 -14.116 197 HA2 GLY 75 HA2 GLY 75 16.129 -3.597 -14.610 198 HA3 GLY 75 HA3 GLY 75 17.166 -2.210 -14.281 199 H GLY 76 H GLY 76 14.724 -2.842 -11.998 200 HA2 GLY 76 HA2 GLY 76 16.436 -4.439 -10.267 201 HA3 GLY 76 HA3 GLY 76 16.069 -2.808 -9.720 202 HA PRO 77 HA PRO 77 12.747 -5.722 -8.270 203 HB2 PRO 77 HB2 PRO 77 12.796 -5.033 -5.658 204 HB3 PRO 77 HB3 PRO 77 13.899 -6.227 -6.350 205 HG2 PRO 77 HG2 PRO 77 14.395 -3.351 -5.689 206 HG3 PRO 77 HG3 PRO 77 15.448 -4.758 -5.450 207 HD2 PRO 77 HD2 PRO 77 15.715 -3.004 -7.533 208 HD3 PRO 77 HD3 PRO 77 16.217 -4.703 -7.606 209 H SER 78 H SER 78 10.681 -5.175 -8.378 210 HA SER 78 HA SER 78 9.863 -2.401 -8.121 211 HB2 SER 78 HB2 SER 78 7.613 -3.360 -8.804 212 HB3 SER 78 HB3 SER 78 8.910 -3.576 -9.977 213 HG SER 78 HG SER 78 8.475 -5.583 -8.067 214 H TYR 79 H TYR 79 8.030 -1.784 -6.741 215 HA TYR 79 HA TYR 79 8.158 -3.279 -4.210 216 HB2 TYR 79 HB2 TYR 79 7.655 -0.328 -4.705 217 HB3 TYR 79 HB3 TYR 79 7.595 -1.108 -3.125 218 HD1 TYR 79 HD1 TYR 79 10.020 -2.934 -3.522 219 HD2 TYR 79 HD2 TYR 79 9.400 1.201 -4.301 220 HE1 TYR 79 HE1 TYR 79 12.430 -2.526 -3.243 221 HE2 TYR 79 HE2 TYR 79 11.806 1.621 -4.025 222 HH TYR 79 HH TYR 79 13.742 0.546 -2.856 223 H LYS 80 H LYS 80 6.296 -3.924 -3.238 224 HA LYS 80 HA LYS 80 3.791 -2.763 -4.253 225 HB2 LYS 80 HB2 LYS 80 4.090 -5.528 -3.040 226 HB3 LYS 80 HB3 LYS 80 2.608 -4.820 -3.660 227 HG2 LYS 80 HG2 LYS 80 5.023 -5.650 -5.236 228 HG3 LYS 80 HG3 LYS 80 3.432 -6.399 -5.247 229 HD2 LYS 80 HD2 LYS 80 3.580 -3.527 -5.933 230 HD3 LYS 80 HD3 LYS 80 4.237 -4.659 -7.114 231 HE2 LYS 80 HE2 LYS 80 1.428 -4.512 -6.037 232 HE3 LYS 80 HE3 LYS 80 1.970 -4.244 -7.684 233 HZ1 LYS 80 HZ1 LYS 80 0.957 -6.415 -7.466 234 HZ2 LYS 80 HZ2 LYS 80 2.060 -6.848 -6.258 235 HZ3 LYS 80 HZ3 LYS 80 2.603 -6.569 -7.836 236 H LEU 81 H LEU 81 2.371 -2.008 -2.704 237 HA LEU 81 HA LEU 81 3.436 -1.988 0.055 238 HB2 LEU 81 HB2 LEU 81 3.089 0.176 -1.454 239 HB3 LEU 81 HB3 LEU 81 1.453 0.027 -0.870 240 HG LEU 81 HG LEU 81 3.876 0.923 0.522 241 HD11 LEU 81 HD11 LEU 81 2.332 2.353 1.613 242 HD12 LEU 81 HD12 LEU 81 0.973 1.367 1.087 243 HD13 LEU 81 HD13 LEU 81 1.893 2.295 -0.095 244 HD21 LEU 81 HD21 LEU 81 3.052 0.221 2.731 245 HD22 LEU 81 HD22 LEU 81 3.544 -1.150 1.735 246 HD23 LEU 81 HD23 LEU 81 1.830 -0.780 1.944 247 HA PRO 82 HA PRO 82 -0.480 -4.397 0.362 248 HB2 PRO 82 HB2 PRO 82 1.006 -5.248 2.774 249 HB3 PRO 82 HB3 PRO 82 0.142 -6.226 1.582 250 HG2 PRO 82 HG2 PRO 82 2.773 -6.198 1.589 251 HG3 PRO 82 HG3 PRO 82 1.889 -6.130 0.049 252 HD2 PRO 82 HD2 PRO 82 3.185 -3.894 1.568 253 HD3 PRO 82 HD3 PRO 82 3.241 -4.246 -0.165 254 H TYR 83 H TYR 83 -1.989 -2.993 1.010 255 HA TYR 83 HA TYR 83 -1.739 -1.851 3.706 256 HB2 TYR 83 HB2 TYR 83 -1.946 -0.093 2.085 257 HB3 TYR 83 HB3 TYR 83 -3.297 -0.903 1.293 258 HD1 TYR 83 HD1 TYR 83 -2.546 0.028 4.844 259 HD2 TYR 83 HD2 TYR 83 -5.261 0.275 1.578 260 HE1 TYR 83 HE1 TYR 83 -4.121 1.274 6.257 261 HE2 TYR 83 HE2 TYR 83 -6.847 1.523 2.985 262 HH TYR 83 HH TYR 83 -5.965 2.714 6.128 263 H ASN 84 H ASN 84 -2.995 -2.669 5.220 264 HA ASN 84 HA ASN 84 -5.492 -4.000 4.438 265 HB2 ASN 84 HB2 ASN 84 -4.032 -5.292 5.931 266 HB3 ASN 84 HB3 ASN 84 -4.026 -3.962 7.079 267 HD21 ASN 84 HD21 ASN 84 -5.628 -3.762 8.519 268 HD22 ASN 84 HD22 ASN 84 -6.985 -4.852 8.626 269 H THR 85 H THR 85 -7.432 -3.127 4.991 270 HA THR 85 HA THR 85 -7.328 -0.290 5.039 271 HB THR 85 HB THR 85 -9.832 -0.451 4.919 272 HG1 THR 85 HG1 THR 85 -9.408 -3.252 4.598 273 HG21 THR 85 HG21 THR 85 -8.060 -0.622 3.017 274 HG22 THR 85 HG22 THR 85 -9.755 -0.973 2.669 275 HG23 THR 85 HG23 THR 85 -8.607 -2.296 2.908 276 H SER 86 H SER 86 -7.350 -2.418 7.597 277 HA SER 86 HA SER 86 -8.880 -0.692 9.379 278 HB2 SER 86 HB2 SER 86 -7.347 -3.181 10.122 279 HB3 SER 86 HB3 SER 86 -8.675 -2.425 10.999 280 HG SER 86 HG SER 86 -9.891 -2.866 8.926 281 H ASP 87 H ASP 87 -5.885 -0.550 8.130 282 HA ASP 87 HA ASP 87 -4.565 0.156 10.665 283 HB2 ASP 87 HB2 ASP 87 -3.392 -0.770 8.041 284 HB3 ASP 87 HB3 ASP 87 -2.436 -0.239 9.421 285 H ASP 88 H ASP 88 -3.106 1.933 10.678 286 HA ASP 88 HA ASP 88 -4.150 4.214 9.267 287 HB2 ASP 88 HB2 ASP 88 -1.853 3.981 11.220 288 HB3 ASP 88 HB3 ASP 88 -2.496 5.494 10.598 289 HA PRO 89 HA PRO 89 -1.540 4.405 5.775 290 HB2 PRO 89 HB2 PRO 89 -0.780 7.088 5.911 291 HB3 PRO 89 HB3 PRO 89 -2.216 6.463 5.100 292 HG2 PRO 89 HG2 PRO 89 -1.934 7.676 7.807 293 HG3 PRO 89 HG3 PRO 89 -3.267 7.811 6.645 294 HD2 PRO 89 HD2 PRO 89 -3.465 6.267 8.797 295 HD3 PRO 89 HD3 PRO 89 -4.158 5.752 7.251 296 H TRP 90 H TRP 90 -0.172 6.581 8.210 297 HA TRP 90 HA TRP 90 2.466 6.253 7.362 298 HB2 TRP 90 HB2 TRP 90 2.962 7.164 9.747 299 HB3 TRP 90 HB3 TRP 90 2.143 8.186 8.579 300 HD1 TRP 90 HD1 TRP 90 1.365 6.062 11.715 301 HE1 TRP 90 HE1 TRP 90 -0.791 6.989 12.789 302 HE3 TRP 90 HE3 TRP 90 0.112 9.528 8.165 303 HZ2 TRP 90 HZ2 TRP 90 -2.748 8.933 12.205 304 HZ3 TRP 90 HZ3 TRP 90 -1.917 10.881 8.499 305 HH2 TRP 90 HH2 TRP 90 -3.317 10.586 10.480 306 H LEU 91 H LEU 91 0.516 4.288 9.450 307 HA LEU 91 HA LEU 91 2.751 2.901 10.617 308 HB2 LEU 91 HB2 LEU 91 -0.171 2.191 10.508 309 HB3 LEU 91 HB3 LEU 91 1.030 1.332 11.447 310 HG LEU 91 HG LEU 91 0.158 4.186 11.868 311 HD11 LEU 91 HD11 LEU 91 -1.485 2.579 12.635 312 HD12 LEU 91 HD12 LEU 91 -0.671 3.314 14.014 313 HD13 LEU 91 HD13 LEU 91 -0.238 1.685 13.502 314 HD21 LEU 91 HD21 LEU 91 1.649 4.203 13.764 315 HD22 LEU 91 HD22 LEU 91 2.560 3.818 12.303 316 HD23 LEU 91 HD23 LEU 91 2.133 2.540 13.438 317 H THR 92 H THR 92 0.261 2.085 8.203 318 HA THR 92 HA THR 92 1.264 -0.408 7.436 319 HB THR 92 HB THR 92 -0.248 1.631 5.797 320 HG1 THR 92 HG1 THR 92 -1.404 -0.698 6.859 321 HG21 THR 92 HG21 THR 92 0.799 0.041 4.305 322 HG22 THR 92 HG22 THR 92 -0.930 -0.309 4.413 323 HG23 THR 92 HG23 THR 92 0.226 -1.308 5.291 324 H ALA 93 H ALA 93 1.927 2.814 6.138 325 HA ALA 93 HA ALA 93 3.608 1.964 4.032 326 HB1 ALA 93 HB1 ALA 93 2.529 4.095 3.944 327 HB2 ALA 93 HB2 ALA 93 4.271 4.369 4.006 328 HB3 ALA 93 HB3 ALA 93 3.291 4.595 5.452 329 H TYR 94 H TYR 94 4.157 2.984 7.351 330 HA TYR 94 HA TYR 94 6.973 3.110 7.285 331 HB2 TYR 94 HB2 TYR 94 5.265 3.920 9.056 332 HB3 TYR 94 HB3 TYR 94 5.362 2.281 9.687 333 HD1 TYR 94 HD1 TYR 94 7.674 1.417 10.337 334 HD2 TYR 94 HD2 TYR 94 6.818 5.522 9.693 335 HE1 TYR 94 HE1 TYR 94 9.645 2.029 11.685 336 HE2 TYR 94 HE2 TYR 94 8.785 6.156 11.027 337 HH TYR 94 HH TYR 94 11.204 3.983 11.897 338 H ASN 95 H ASN 95 4.645 0.555 7.950 339 HA ASN 95 HA ASN 95 6.384 -1.472 8.777 340 HB2 ASN 95 HB2 ASN 95 3.944 -1.640 8.988 341 HB3 ASN 95 HB3 ASN 95 3.792 -1.723 7.235 342 HD21 ASN 95 HD21 ASN 95 4.114 -3.637 6.205 343 HD22 ASN 95 HD22 ASN 95 4.449 -5.122 7.030 344 H PHE 96 H PHE 96 5.199 -0.703 5.504 345 HA PHE 96 HA PHE 96 6.793 -2.687 4.241 346 HB2 PHE 96 HB2 PHE 96 4.864 -1.915 3.077 347 HB3 PHE 96 HB3 PHE 96 5.393 -0.238 3.159 348 HD1 PHE 96 HD1 PHE 96 6.632 -3.536 1.922 349 HD2 PHE 96 HD2 PHE 96 6.311 0.654 1.246 350 HE1 PHE 96 HE1 PHE 96 7.757 -3.801 -0.248 351 HE2 PHE 96 HE2 PHE 96 7.434 0.394 -0.926 352 HZ PHE 96 HZ PHE 96 8.162 -1.836 -1.676 353 H LEU 97 H LEU 97 7.283 0.695 5.021 354 HA LEU 97 HA LEU 97 9.603 1.113 3.497 355 HB2 LEU 97 HB2 LEU 97 8.018 2.617 5.185 356 HB3 LEU 97 HB3 LEU 97 9.558 2.563 6.022 357 HG LEU 97 HG LEU 97 10.652 3.401 3.942 358 HD11 LEU 97 HD11 LEU 97 7.818 3.850 3.024 359 HD12 LEU 97 HD12 LEU 97 8.878 2.575 2.428 360 HD13 LEU 97 HD13 LEU 97 9.299 4.266 2.159 361 HD21 LEU 97 HD21 LEU 97 9.698 4.831 5.888 362 HD22 LEU 97 HD22 LEU 97 8.475 5.302 4.701 363 HD23 LEU 97 HD23 LEU 97 10.178 5.622 4.386 364 H GLN 98 H GLN 98 9.190 0.036 6.859 365 HA GLN 98 HA GLN 98 12.009 -0.272 7.267 366 HB2 GLN 98 HB2 GLN 98 11.438 -1.298 9.382 367 HB3 GLN 98 HB3 GLN 98 10.453 0.140 9.143 368 HG2 GLN 98 HG2 GLN 98 8.570 -1.217 8.493 369 HG3 GLN 98 HG3 GLN 98 9.549 -2.675 8.615 370 HE21 GLN 98 HE21 GLN 98 9.773 -0.048 10.902 371 HE22 GLN 98 HE22 GLN 98 9.072 -0.897 12.232 372 H LYS 99 H LYS 99 9.478 -2.226 5.973 373 HA LYS 99 HA LYS 99 10.676 -4.767 6.353 374 HB2 LYS 99 HB2 LYS 99 8.284 -4.482 5.918 375 HB3 LYS 99 HB3 LYS 99 8.634 -3.827 4.331 376 HG2 LYS 99 HG2 LYS 99 9.760 -6.488 4.789 377 HG3 LYS 99 HG3 LYS 99 8.000 -6.418 4.858 378 HD2 LYS 99 HD2 LYS 99 8.037 -6.553 2.627 379 HD3 LYS 99 HD3 LYS 99 8.626 -4.891 2.639 380 HE2 LYS 99 HE2 LYS 99 10.044 -6.267 1.242 381 HE3 LYS 99 HE3 LYS 99 10.927 -5.710 2.660 382 HZ1 LYS 99 HZ1 LYS 99 10.491 -7.900 3.682 383 HZ2 LYS 99 HZ2 LYS 99 11.428 -7.990 2.273 384 HZ3 LYS 99 HZ3 LYS 99 9.787 -8.416 2.222 385 H ASN 100 H ASN 100 10.681 -2.453 3.668 386 HA ASN 100 HA ASN 100 12.465 -4.247 2.198 387 HB2 ASN 100 HB2 ASN 100 10.335 -2.927 1.274 388 HB3 ASN 100 HB3 ASN 100 11.547 -1.679 1.009 389 HD21 ASN 100 HD21 ASN 100 13.322 -2.144 -0.373 390 HD22 ASN 100 HD22 ASN 100 13.191 -3.371 -1.584 391 H ASP 101 H ASP 101 12.749 -1.934 4.416 392 HA ASP 101 HA ASP 101 14.315 -0.458 5.109 393 HB2 ASP 101 HB2 ASP 101 15.945 -2.187 3.281 394 HB3 ASP 101 HB3 ASP 101 16.667 -0.767 4.029 395 H LEU 102 H LEU 102 12.669 0.848 3.682 396 HA LEU 102 HA LEU 102 14.070 2.238 1.512 397 HB2 LEU 102 HB2 LEU 102 11.218 2.438 2.483 398 HB3 LEU 102 HB3 LEU 102 11.875 3.385 1.179 399 HG LEU 102 HG LEU 102 11.089 1.839 -0.191 400 HD11 LEU 102 HD11 LEU 102 12.323 -0.205 -0.529 401 HD12 LEU 102 HD12 LEU 102 13.077 -0.029 1.053 402 HD13 LEU 102 HD13 LEU 102 13.429 1.136 -0.227 403 HD21 LEU 102 HD21 LEU 102 9.456 1.005 1.167 404 HD22 LEU 102 HD22 LEU 102 10.606 0.345 2.326 405 HD23 LEU 102 HD23 LEU 102 10.367 -0.454 0.772 406 H ASN 103 H ASN 103 13.703 4.650 1.475 407 HA ASN 103 HA ASN 103 14.688 5.786 3.920 408 HB2 ASN 103 HB2 ASN 103 15.346 6.490 1.554 409 HB3 ASN 103 HB3 ASN 103 13.777 7.274 1.463 410 HD21 ASN 103 HD21 ASN 103 16.968 7.431 2.756 411 HD22 ASN 103 HD22 ASN 103 16.816 8.997 3.486 412 HA PRO 104 HA PRO 104 10.844 6.829 5.846 413 HB2 PRO 104 HB2 PRO 104 12.319 9.244 6.760 414 HB3 PRO 104 HB3 PRO 104 11.454 8.029 7.705 415 HG2 PRO 104 HG2 PRO 104 14.104 8.036 7.667 416 HG3 PRO 104 HG3 PRO 104 13.212 6.502 7.594 417 HD2 PRO 104 HD2 PRO 104 14.539 8.029 5.382 418 HD3 PRO 104 HD3 PRO 104 14.532 6.282 5.684 419 H MET 105 H MET 105 12.445 8.910 3.612 420 HA MET 105 HA MET 105 10.512 10.992 3.495 421 HB2 MET 105 HB2 MET 105 12.812 11.175 2.594 422 HB3 MET 105 HB3 MET 105 12.396 10.018 1.344 423 HG2 MET 105 HG2 MET 105 10.701 11.568 0.485 424 HG3 MET 105 HG3 MET 105 11.163 12.741 1.715 425 HE1 MET 105 HE1 MET 105 14.297 12.383 1.831 426 HE2 MET 105 HE2 MET 105 13.544 13.977 1.763 427 HE3 MET 105 HE3 MET 105 14.854 13.574 0.655 428 H PHE 106 H PHE 106 10.538 7.748 2.410 429 HA PHE 106 HA PHE 106 8.704 8.152 0.205 430 HB2 PHE 106 HB2 PHE 106 9.870 5.691 1.488 431 HB3 PHE 106 HB3 PHE 106 8.695 5.613 0.186 432 HD1 PHE 106 HD1 PHE 106 9.377 7.219 -1.880 433 HD2 PHE 106 HD2 PHE 106 12.068 5.443 0.907 434 HE1 PHE 106 HE1 PHE 106 11.197 7.397 -3.525 435 HE2 PHE 106 HE2 PHE 106 13.887 5.625 -0.736 436 HZ PHE 106 HZ PHE 106 13.455 6.598 -2.954 437 H LEU 107 H LEU 107 8.558 7.620 3.544 438 HA LEU 107 HA LEU 107 6.308 6.052 3.918 439 HB2 LEU 107 HB2 LEU 107 7.778 6.571 5.711 440 HB3 LEU 107 HB3 LEU 107 7.511 8.291 5.534 441 HG LEU 107 HG LEU 107 5.258 8.059 6.437 442 HD11 LEU 107 HD11 LEU 107 5.886 5.151 6.851 443 HD12 LEU 107 HD12 LEU 107 4.931 5.753 5.503 444 HD13 LEU 107 HD13 LEU 107 4.361 5.987 7.153 445 HD21 LEU 107 HD21 LEU 107 7.231 8.297 7.950 446 HD22 LEU 107 HD22 LEU 107 7.216 6.539 8.147 447 HD23 LEU 107 HD23 LEU 107 5.839 7.502 8.691 448 H ASP 108 H ASP 108 6.473 9.603 3.615 449 HA ASP 108 HA ASP 108 3.734 10.050 4.002 450 HB2 ASP 108 HB2 ASP 108 5.425 11.843 4.095 451 HB3 ASP 108 HB3 ASP 108 5.685 11.683 2.360 452 H GLN 109 H GLN 109 5.571 9.415 1.039 453 HA GLN 109 HA GLN 109 3.537 9.926 -0.812 454 HB2 GLN 109 HB2 GLN 109 5.698 9.749 -1.698 455 HB3 GLN 109 HB3 GLN 109 6.029 8.246 -0.846 456 HG2 GLN 109 HG2 GLN 109 4.416 7.107 -2.290 457 HG3 GLN 109 HG3 GLN 109 4.172 8.603 -3.189 458 HE21 GLN 109 HE21 GLN 109 6.319 5.965 -2.522 459 HE22 GLN 109 HE22 GLN 109 7.420 6.262 -3.817 460 H VAL 110 H VAL 110 4.604 6.837 0.598 461 HA VAL 110 HA VAL 110 2.604 5.288 -0.674 462 HB VAL 110 HB VAL 110 3.233 3.636 1.281 463 HG11 VAL 110 HG11 VAL 110 4.936 2.763 -0.042 464 HG12 VAL 110 HG12 VAL 110 5.491 4.365 -0.504 465 HG13 VAL 110 HG13 VAL 110 4.008 3.721 -1.194 466 HG21 VAL 110 HG21 VAL 110 5.256 4.028 2.391 467 HG22 VAL 110 HG22 VAL 110 4.330 5.517 2.557 468 HG23 VAL 110 HG23 VAL 110 5.630 5.420 1.376 469 H ALA 111 H ALA 111 2.822 6.747 2.544 470 HA ALA 111 HA ALA 111 0.456 5.624 3.581 471 HB1 ALA 111 HB1 ALA 111 1.688 8.262 4.345 472 HB2 ALA 111 HB2 ALA 111 2.213 6.692 4.956 473 HB3 ALA 111 HB3 ALA 111 0.591 7.282 5.317 474 H LYS 112 H LYS 112 1.027 8.632 1.787 475 HA LYS 112 HA LYS 112 -1.560 9.667 2.086 476 HB2 LYS 112 HB2 LYS 112 0.794 10.255 0.482 477 HB3 LYS 112 HB3 LYS 112 -0.712 10.596 -0.369 478 HG2 LYS 112 HG2 LYS 112 0.078 12.549 0.849 479 HG3 LYS 112 HG3 LYS 112 -1.463 11.959 1.472 480 HD2 LYS 112 HD2 LYS 112 -0.322 10.853 3.314 481 HD3 LYS 112 HD3 LYS 112 1.233 11.417 2.695 482 HE2 LYS 112 HE2 LYS 112 -1.020 13.254 3.469 483 HE3 LYS 112 HE3 LYS 112 0.265 12.768 4.578 484 HZ1 LYS 112 HZ1 LYS 112 0.716 14.910 3.505 485 HZ2 LYS 112 HZ2 LYS 112 0.707 14.158 1.986 486 HZ3 LYS 112 HZ3 LYS 112 1.893 13.746 3.129 487 H PHE 113 H PHE 113 -0.173 7.588 -0.420 488 HA PHE 113 HA PHE 113 -2.494 7.441 -2.004 489 HB2 PHE 113 HB2 PHE 113 -0.099 6.598 -2.538 490 HB3 PHE 113 HB3 PHE 113 -0.599 5.120 -1.716 491 HD1 PHE 113 HD1 PHE 113 -2.616 3.896 -2.562 492 HD2 PHE 113 HD2 PHE 113 -0.771 7.040 -4.746 493 HE1 PHE 113 HE1 PHE 113 -3.759 3.137 -4.607 494 HE2 PHE 113 HE2 PHE 113 -1.908 6.293 -6.798 495 HZ PHE 113 HZ PHE 113 -3.408 4.340 -6.729 496 H ILE 114 H ILE 114 -1.325 5.412 0.656 497 HA ILE 114 HA ILE 114 -3.375 3.607 0.955 498 HB ILE 114 HB ILE 114 -1.748 5.091 2.989 499 HG12 ILE 114 HG12 ILE 114 -1.669 2.149 2.473 500 HG13 ILE 114 HG13 ILE 114 -0.879 3.245 1.339 501 HG21 ILE 114 HG21 ILE 114 -4.170 4.062 3.613 502 HG22 ILE 114 HG22 ILE 114 -2.821 4.183 4.731 503 HG23 ILE 114 HG23 ILE 114 -3.129 2.667 3.891 504 HD11 ILE 114 HD11 ILE 114 0.489 2.232 3.257 505 HD12 ILE 114 HD12 ILE 114 -0.334 3.431 4.260 506 HD13 ILE 114 HD13 ILE 114 0.650 3.948 2.900 507 H ILE 115 H ILE 115 -3.152 6.846 2.369 508 HA ILE 115 HA ILE 115 -5.598 6.953 3.639 509 HB ILE 115 HB ILE 115 -3.901 9.124 2.442 510 HG12 ILE 115 HG12 ILE 115 -4.546 8.580 5.322 511 HG13 ILE 115 HG13 ILE 115 -3.257 7.709 4.498 512 HG21 ILE 115 HG21 ILE 115 -6.090 10.041 2.372 513 HG22 ILE 115 HG22 ILE 115 -5.326 10.679 3.827 514 HG23 ILE 115 HG23 ILE 115 -6.495 9.368 3.948 515 HD11 ILE 115 HD11 ILE 115 -3.193 10.646 4.267 516 HD12 ILE 115 HD12 ILE 115 -1.887 9.481 4.511 517 HD13 ILE 115 HD13 ILE 115 -2.890 9.975 5.869 518 H ASP 116 H ASP 116 -4.822 8.111 0.342 519 HA ASP 116 HA ASP 116 -7.339 9.198 -0.167 520 HB2 ASP 116 HB2 ASP 116 -5.300 9.606 -1.533 521 HB3 ASP 116 HB3 ASP 116 -5.480 7.999 -2.227 522 H ASN 117 H ASN 117 -6.224 5.892 -0.449 523 HA ASN 117 HA ASN 117 -8.333 4.832 -1.963 524 HB2 ASN 117 HB2 ASN 117 -6.273 3.589 -1.483 525 HB3 ASN 117 HB3 ASN 117 -6.728 3.476 0.216 526 HD21 ASN 117 HD21 ASN 117 -8.213 1.954 0.851 527 HD22 ASN 117 HD22 ASN 117 -8.888 0.779 -0.222 528 H THR 118 H THR 118 -8.072 5.302 1.562 529 HA THR 118 HA THR 118 -10.804 4.307 1.893 530 HB THR 118 HB THR 118 -10.285 4.805 4.369 531 HG1 THR 118 HG1 THR 118 -7.670 4.460 4.201 532 HG21 THR 118 HG21 THR 118 -8.657 2.703 2.934 533 HG22 THR 118 HG22 THR 118 -10.351 2.543 3.395 534 HG23 THR 118 HG23 THR 118 -9.108 2.692 4.636 535 H LYS 119 H LYS 119 -8.961 7.221 1.924 536 HA LYS 119 HA LYS 119 -10.576 9.082 3.143 537 HB2 LYS 119 HB2 LYS 119 -8.458 9.762 2.473 538 HB3 LYS 119 HB3 LYS 119 -8.718 9.203 0.822 539 HG2 LYS 119 HG2 LYS 119 -10.560 10.979 0.758 540 HG3 LYS 119 HG3 LYS 119 -9.713 11.679 2.152 541 HD2 LYS 119 HD2 LYS 119 -8.465 10.949 -0.451 542 HD3 LYS 119 HD3 LYS 119 -8.988 12.586 -0.056 543 HE2 LYS 119 HE2 LYS 119 -6.870 10.966 1.364 544 HE3 LYS 119 HE3 LYS 119 -6.576 12.310 0.265 545 HZ1 LYS 119 HZ1 LYS 119 -7.705 13.782 1.818 546 HZ2 LYS 119 HZ2 LYS 119 -6.401 12.999 2.566 547 HZ3 LYS 119 HZ3 LYS 119 -7.988 12.485 2.877 548 H GLY 120 H GLY 120 -10.408 8.912 -0.352 549 HA2 GLY 120 HA2 GLY 120 -13.022 8.260 -0.988 550 HA3 GLY 120 HA3 GLY 120 -12.986 10.015 -0.756 551 H GLN 121 H GLN 121 -11.330 11.166 -1.873 552 HA GLN 121 HA GLN 121 -9.750 10.300 -3.941 553 HB2 GLN 121 HB2 GLN 121 -11.859 9.719 -5.099 554 HB3 GLN 121 HB3 GLN 121 -12.435 11.367 -4.866 555 HG2 GLN 121 HG2 GLN 121 -11.643 11.253 -7.077 556 HG3 GLN 121 HG3 GLN 121 -10.429 12.126 -6.136 557 HE21 GLN 121 HE21 GLN 121 -8.464 11.146 -5.690 558 HE22 GLN 121 HE22 GLN 121 -7.909 9.743 -6.533 559 H MET 122 H MET 122 -8.356 11.807 -3.222 560 HA MET 122 HA MET 122 -7.336 13.848 -3.111 561 HB2 MET 122 HB2 MET 122 -8.429 14.474 -5.204 562 HB3 MET 122 HB3 MET 122 -9.889 14.917 -4.334 563 HG2 MET 122 HG2 MET 122 -8.581 16.672 -3.159 564 HG3 MET 122 HG3 MET 122 -7.214 16.277 -4.194 565 HE1 MET 122 HE1 MET 122 -8.720 17.114 -7.754 566 HE2 MET 122 HE2 MET 122 -8.813 15.569 -6.910 567 HE3 MET 122 HE3 MET 122 -7.313 16.496 -6.892 568 H LEU 123 H LEU 123 -10.759 14.059 -2.235 569 HA LEU 123 HA LEU 123 -9.965 15.207 0.368 570 HB2 LEU 123 HB2 LEU 123 -11.091 16.782 -1.299 571 HB3 LEU 123 HB3 LEU 123 -12.529 15.820 -1.077 572 HG LEU 123 HG LEU 123 -12.531 16.357 1.326 573 HD11 LEU 123 HD11 LEU 123 -11.079 18.155 2.151 574 HD12 LEU 123 HD12 LEU 123 -10.216 18.152 0.615 575 HD13 LEU 123 HD13 LEU 123 -10.162 16.733 1.658 576 HD21 LEU 123 HD21 LEU 123 -13.842 17.704 -0.234 577 HD22 LEU 123 HD22 LEU 123 -12.459 18.769 -0.482 578 HD23 LEU 123 HD23 LEU 123 -13.230 18.683 1.102 579 H GLY 124 H GLY 124 -12.430 13.519 -1.462 580 HA2 GLY 124 HA2 GLY 124 -12.912 11.308 -0.021 581 HA3 GLY 124 HA3 GLY 124 -13.781 12.538 0.895 582 H LEU 125 H LEU 125 -13.309 12.347 -2.585 583 HA LEU 125 HA LEU 125 -16.233 12.357 -2.894 584 HB2 LEU 125 HB2 LEU 125 -14.136 13.634 -4.654 585 HB3 LEU 125 HB3 LEU 125 -15.866 13.673 -4.936 586 HG LEU 125 HG LEU 125 -14.478 14.932 -2.564 587 HD11 LEU 125 HD11 LEU 125 -14.940 17.053 -3.656 588 HD12 LEU 125 HD12 LEU 125 -15.624 16.206 -5.044 589 HD13 LEU 125 HD13 LEU 125 -13.908 16.043 -4.669 590 HD21 LEU 125 HD21 LEU 125 -16.650 16.010 -2.189 591 HD22 LEU 125 HD22 LEU 125 -16.762 14.254 -2.075 592 HD23 LEU 125 HD23 LEU 125 -17.334 15.081 -3.525 593 H GLY 126 H GLY 126 -16.285 12.061 -5.648 594 HA2 GLY 126 HA2 GLY 126 -14.675 10.167 -6.841 595 HA3 GLY 126 HA3 GLY 126 -15.909 9.262 -5.969 596 H ASN 127 H ASN 127 -15.538 9.385 -8.836 597 HA ASN 127 HA ASN 127 -17.824 10.976 -9.722 598 HB2 ASN 127 HB2 ASN 127 -15.757 9.381 -11.251 599 HB3 ASN 127 HB3 ASN 127 -17.156 10.123 -12.020 600 HD21 ASN 127 HD21 ASN 127 -16.024 11.546 -13.267 601 HD22 ASN 127 HD22 ASN 127 -15.130 12.880 -12.609 602 HA PRO 128 HA PRO 128 -20.435 7.451 -9.021 603 HB2 PRO 128 HB2 PRO 128 -22.412 9.043 -10.517 604 HB3 PRO 128 HB3 PRO 128 -22.484 8.428 -8.863 605 HG2 PRO 128 HG2 PRO 128 -22.136 11.035 -9.368 606 HG3 PRO 128 HG3 PRO 128 -21.332 10.239 -8.001 607 HD2 PRO 128 HD2 PRO 128 -20.221 10.992 -10.680 608 HD3 PRO 128 HD3 PRO 128 -19.483 11.145 -9.071 Start of MODEL 14 1 H1 ALA 49 H1 ALA 49 -15.247 -7.908 -16.931 2 H2 ALA 49 H2 ALA 49 -15.328 -6.381 -16.202 3 H3 ALA 49 H3 ALA 49 -16.751 -7.216 -16.585 4 HA ALA 49 HA ALA 49 -16.318 -7.342 -14.232 5 HB1 ALA 49 HB1 ALA 49 -16.414 -9.773 -13.996 6 HB2 ALA 49 HB2 ALA 49 -15.875 -9.960 -15.665 7 HB3 ALA 49 HB3 ALA 49 -17.437 -9.216 -15.320 8 H ASN 50 H ASN 50 -14.880 -7.397 -12.613 9 HA ASN 50 HA ASN 50 -12.179 -8.439 -13.135 10 HB2 ASN 50 HB2 ASN 50 -12.056 -6.010 -13.467 11 HB3 ASN 50 HB3 ASN 50 -12.804 -5.743 -11.897 12 HD21 ASN 50 HD21 ASN 50 -11.123 -4.609 -11.028 13 HD22 ASN 50 HD22 ASN 50 -9.585 -5.320 -10.652 14 H GLN 51 H GLN 51 -14.536 -7.272 -10.783 15 HA GLN 51 HA GLN 51 -13.529 -9.226 -8.840 16 HB2 GLN 51 HB2 GLN 51 -14.032 -6.291 -8.320 17 HB3 GLN 51 HB3 GLN 51 -13.853 -7.487 -7.046 18 HG2 GLN 51 HG2 GLN 51 -11.593 -7.950 -7.718 19 HG3 GLN 51 HG3 GLN 51 -11.760 -6.903 -9.127 20 HE21 GLN 51 HE21 GLN 51 -11.489 -7.015 -5.654 21 HE22 GLN 51 HE22 GLN 51 -11.025 -5.360 -5.448 22 H GLN 52 H GLN 52 -15.079 -10.289 -7.781 23 HA GLN 52 HA GLN 52 -17.857 -9.704 -8.412 24 HB2 GLN 52 HB2 GLN 52 -16.586 -11.937 -6.811 25 HB3 GLN 52 HB3 GLN 52 -18.300 -11.824 -7.187 26 HG2 GLN 52 HG2 GLN 52 -17.866 -12.069 -9.526 27 HG3 GLN 52 HG3 GLN 52 -16.126 -11.977 -9.259 28 HE21 GLN 52 HE21 GLN 52 -18.989 -13.936 -8.891 29 HE22 GLN 52 HE22 GLN 52 -18.158 -15.436 -8.647 30 H THR 53 H THR 53 -15.634 -9.533 -5.775 31 HA THR 53 HA THR 53 -16.893 -7.585 -4.316 32 HB THR 53 HB THR 53 -18.687 -9.291 -3.913 33 HG1 THR 53 HG1 THR 53 -17.891 -7.546 -2.339 34 HG21 THR 53 HG21 THR 53 -16.434 -10.693 -2.510 35 HG22 THR 53 HG22 THR 53 -17.449 -11.320 -3.807 36 HG23 THR 53 HG23 THR 53 -18.130 -11.055 -2.202 37 H SER 54 H SER 54 -14.887 -10.376 -4.486 38 HA SER 54 HA SER 54 -13.182 -9.548 -2.293 39 HB2 SER 54 HB2 SER 54 -11.846 -11.578 -3.053 40 HB3 SER 54 HB3 SER 54 -13.490 -11.919 -2.511 41 HG SER 54 HG SER 54 -13.609 -12.898 -4.384 42 H GLY 55 H GLY 55 -10.690 -9.884 -3.063 43 HA2 GLY 55 HA2 GLY 55 -9.603 -9.350 -5.419 44 HA3 GLY 55 HA3 GLY 55 -10.285 -7.776 -5.026 45 H LYS 56 H LYS 56 -8.464 -10.318 -3.336 46 HA LYS 56 HA LYS 56 -7.017 -8.265 -1.882 47 HB2 LYS 56 HB2 LYS 56 -7.118 -11.273 -1.659 48 HB3 LYS 56 HB3 LYS 56 -6.037 -10.277 -0.697 49 HG2 LYS 56 HG2 LYS 56 -8.999 -9.846 -0.727 50 HG3 LYS 56 HG3 LYS 56 -8.220 -10.971 0.388 51 HD2 LYS 56 HD2 LYS 56 -6.921 -9.151 1.315 52 HD3 LYS 56 HD3 LYS 56 -7.598 -8.032 0.129 53 HE2 LYS 56 HE2 LYS 56 -8.741 -7.752 2.234 54 HE3 LYS 56 HE3 LYS 56 -9.843 -8.457 1.050 55 HZ1 LYS 56 HZ1 LYS 56 -9.602 -10.588 2.048 56 HZ2 LYS 56 HZ2 LYS 56 -9.930 -9.486 3.296 57 HZ3 LYS 56 HZ3 LYS 56 -8.347 -10.056 3.056 58 H VAL 57 H VAL 57 -4.827 -7.997 -1.977 59 HA VAL 57 HA VAL 57 -3.762 -8.575 -4.632 60 HB VAL 57 HB VAL 57 -2.550 -6.776 -2.557 61 HG11 VAL 57 HG11 VAL 57 -2.359 -6.956 -5.550 62 HG12 VAL 57 HG12 VAL 57 -1.082 -7.174 -4.344 63 HG13 VAL 57 HG13 VAL 57 -1.772 -5.574 -4.619 64 HG21 VAL 57 HG21 VAL 57 -3.947 -5.053 -2.983 65 HG22 VAL 57 HG22 VAL 57 -5.081 -6.384 -3.243 66 HG23 VAL 57 HG23 VAL 57 -4.313 -5.600 -4.624 67 H LEU 58 H LEU 58 -2.190 -10.005 -4.948 68 HA LEU 58 HA LEU 58 -0.889 -11.258 -2.692 69 HB2 LEU 58 HB2 LEU 58 -1.676 -12.553 -4.657 70 HB3 LEU 58 HB3 LEU 58 -0.485 -11.730 -5.651 71 HG LEU 58 HG LEU 58 1.245 -12.703 -3.993 72 HD11 LEU 58 HD11 LEU 58 -0.840 -14.789 -3.540 73 HD12 LEU 58 HD12 LEU 58 -0.743 -13.390 -2.476 74 HD13 LEU 58 HD13 LEU 58 0.647 -14.472 -2.635 75 HD21 LEU 58 HD21 LEU 58 -0.285 -14.530 -5.845 76 HD22 LEU 58 HD22 LEU 58 1.357 -14.788 -5.255 77 HD23 LEU 58 HD23 LEU 58 1.006 -13.426 -6.322 78 H TYR 59 H TYR 59 0.843 -10.410 -1.801 79 HA TYR 59 HA TYR 59 2.830 -9.112 -3.542 80 HB2 TYR 59 HB2 TYR 59 3.280 -7.476 -1.959 81 HB3 TYR 59 HB3 TYR 59 1.552 -7.695 -1.715 82 HD1 TYR 59 HD1 TYR 59 0.798 -9.185 0.219 83 HD2 TYR 59 HD2 TYR 59 4.799 -7.807 -0.210 84 HE1 TYR 59 HE1 TYR 59 1.231 -9.721 2.581 85 HE2 TYR 59 HE2 TYR 59 5.237 -8.319 2.157 86 HH TYR 59 HH TYR 59 3.982 -8.627 4.253 87 H GLU 60 H GLU 60 4.539 -10.358 -3.774 88 HA GLU 60 HA GLU 60 6.264 -11.766 -3.359 89 HB2 GLU 60 HB2 GLU 60 5.934 -10.853 -0.515 90 HB3 GLU 60 HB3 GLU 60 7.388 -11.538 -1.230 91 HG2 GLU 60 HG2 GLU 60 6.094 -8.978 -2.112 92 HG3 GLU 60 HG3 GLU 60 7.450 -9.082 -0.992 93 H GLY 61 H GLY 61 3.401 -12.682 -2.769 94 HA2 GLY 61 HA2 GLY 61 3.032 -15.103 -2.771 95 HA3 GLY 61 HA3 GLY 61 4.213 -15.211 -1.480 96 H LYS 62 H LYS 62 2.722 -12.622 -0.431 97 HA LYS 62 HA LYS 62 0.590 -14.143 0.943 98 HB2 LYS 62 HB2 LYS 62 2.409 -13.088 2.350 99 HB3 LYS 62 HB3 LYS 62 1.795 -11.528 1.827 100 HG2 LYS 62 HG2 LYS 62 -0.338 -11.973 2.838 101 HG3 LYS 62 HG3 LYS 62 0.173 -13.605 3.265 102 HD2 LYS 62 HD2 LYS 62 1.389 -11.051 4.312 103 HD3 LYS 62 HD3 LYS 62 0.257 -12.095 5.174 104 HE2 LYS 62 HE2 LYS 62 1.914 -13.955 4.876 105 HE3 LYS 62 HE3 LYS 62 3.056 -12.742 4.300 106 HZ1 LYS 62 HZ1 LYS 62 1.752 -12.764 6.970 107 HZ2 LYS 62 HZ2 LYS 62 2.870 -11.605 6.426 108 HZ3 LYS 62 HZ3 LYS 62 3.354 -13.213 6.648 109 H GLU 63 H GLU 63 -1.421 -13.048 1.342 110 HA GLU 63 HA GLU 63 -2.054 -11.104 -0.776 111 HB2 GLU 63 HB2 GLU 63 -3.711 -13.216 0.576 112 HB3 GLU 63 HB3 GLU 63 -4.450 -11.906 -0.335 113 HG2 GLU 63 HG2 GLU 63 -3.400 -12.621 -2.345 114 HG3 GLU 63 HG3 GLU 63 -2.403 -13.787 -1.475 115 H PHE 64 H PHE 64 -2.933 -9.185 -0.301 116 HA PHE 64 HA PHE 64 -3.858 -8.678 2.448 117 HB2 PHE 64 HB2 PHE 64 -1.603 -7.441 1.107 118 HB3 PHE 64 HB3 PHE 64 -2.805 -6.247 1.556 119 HD1 PHE 64 HD1 PHE 64 -3.537 -6.114 3.962 120 HD2 PHE 64 HD2 PHE 64 -0.180 -8.400 2.701 121 HE1 PHE 64 HE1 PHE 64 -2.698 -6.150 6.275 122 HE2 PHE 64 HE2 PHE 64 0.664 -8.446 5.011 123 HZ PHE 64 HZ PHE 64 -0.594 -7.320 6.803 124 H ASP 65 H ASP 65 -5.030 -6.500 2.519 125 HA ASP 65 HA ASP 65 -7.298 -6.598 0.894 126 HB2 ASP 65 HB2 ASP 65 -6.153 -4.279 2.484 127 HB3 ASP 65 HB3 ASP 65 -7.735 -4.245 1.725 128 H TYR 66 H TYR 66 -4.987 -3.905 0.927 129 HA TYR 66 HA TYR 66 -5.018 -3.856 -2.007 130 HB2 TYR 66 HB2 TYR 66 -5.838 -1.656 -0.147 131 HB3 TYR 66 HB3 TYR 66 -5.020 -1.242 -1.648 132 HD1 TYR 66 HD1 TYR 66 -6.085 -1.609 -3.790 133 HD2 TYR 66 HD2 TYR 66 -8.104 -2.558 -0.165 134 HE1 TYR 66 HE1 TYR 66 -8.209 -1.729 -5.012 135 HE2 TYR 66 HE2 TYR 66 -10.238 -2.683 -1.384 136 HH TYR 66 HH TYR 66 -10.400 -2.754 -4.791 137 H VAL 67 H VAL 67 -2.862 -4.490 -2.201 138 HA VAL 67 HA VAL 67 -0.904 -2.836 -0.815 139 HB VAL 67 HB VAL 67 0.651 -4.408 -1.100 140 HG11 VAL 67 HG11 VAL 67 -1.285 -5.614 -0.213 141 HG12 VAL 67 HG12 VAL 67 -0.170 -6.656 -1.089 142 HG13 VAL 67 HG13 VAL 67 -1.682 -6.150 -1.847 143 HG21 VAL 67 HG21 VAL 67 -0.296 -5.542 -3.683 144 HG22 VAL 67 HG22 VAL 67 1.347 -5.368 -3.052 145 HG23 VAL 67 HG23 VAL 67 0.484 -3.962 -3.671 146 H PHE 68 H PHE 68 0.345 -1.347 -1.792 147 HA PHE 68 HA PHE 68 -0.578 -0.405 -4.385 148 HB2 PHE 68 HB2 PHE 68 -0.374 1.214 -2.567 149 HB3 PHE 68 HB3 PHE 68 1.308 0.774 -2.334 150 HD1 PHE 68 HD1 PHE 68 -0.724 1.695 -5.333 151 HD2 PHE 68 HD2 PHE 68 2.696 2.443 -2.930 152 HE1 PHE 68 HE1 PHE 68 -0.014 3.450 -6.904 153 HE2 PHE 68 HE2 PHE 68 3.419 4.207 -4.491 154 HZ PHE 68 HZ PHE 68 2.061 4.709 -6.486 155 H SER 69 H SER 69 0.787 -0.078 -6.169 156 HA SER 69 HA SER 69 3.251 -1.673 -6.093 157 HB2 SER 69 HB2 SER 69 1.592 -2.342 -7.780 158 HB3 SER 69 HB3 SER 69 1.625 -0.723 -8.461 159 HG SER 69 HG SER 69 3.777 -1.062 -9.064 160 H ILE 70 H ILE 70 5.059 -0.634 -5.917 161 HA ILE 70 HA ILE 70 5.138 2.224 -6.586 162 HB ILE 70 HB ILE 70 6.979 0.703 -4.736 163 HG12 ILE 70 HG12 ILE 70 4.408 2.187 -4.228 164 HG13 ILE 70 HG13 ILE 70 4.872 0.570 -3.692 165 HG21 ILE 70 HG21 ILE 70 7.990 2.703 -5.605 166 HG22 ILE 70 HG22 ILE 70 7.549 2.976 -3.918 167 HG23 ILE 70 HG23 ILE 70 6.556 3.650 -5.213 168 HD11 ILE 70 HD11 ILE 70 6.242 1.421 -1.999 169 HD12 ILE 70 HD12 ILE 70 4.792 2.418 -1.957 170 HD13 ILE 70 HD13 ILE 70 6.267 3.033 -2.706 171 H ASP 71 H ASP 71 6.200 2.763 -8.322 172 HA ASP 71 HA ASP 71 8.282 1.003 -9.399 173 HB2 ASP 71 HB2 ASP 71 6.958 3.439 -10.628 174 HB3 ASP 71 HB3 ASP 71 8.121 2.393 -11.432 175 H VAL 72 H VAL 72 10.278 1.425 -8.760 176 HA VAL 72 HA VAL 72 11.105 4.226 -8.511 177 HB VAL 72 HB VAL 72 11.800 1.936 -6.726 178 HG11 VAL 72 HG11 VAL 72 13.210 4.584 -6.917 179 HG12 VAL 72 HG12 VAL 72 13.879 2.995 -7.301 180 HG13 VAL 72 HG13 VAL 72 13.451 3.395 -5.634 181 HG21 VAL 72 HG21 VAL 72 11.108 3.493 -4.952 182 HG22 VAL 72 HG22 VAL 72 9.815 3.182 -6.112 183 HG23 VAL 72 HG23 VAL 72 10.724 4.694 -6.187 184 H ASN 73 H ASN 73 12.939 1.215 -8.271 185 HA ASN 73 HA ASN 73 14.624 2.055 -10.481 186 HB2 ASN 73 HB2 ASN 73 15.668 1.111 -8.465 187 HB3 ASN 73 HB3 ASN 73 14.787 -0.392 -8.708 188 HD21 ASN 73 HD21 ASN 73 15.424 -1.791 -10.345 189 HD22 ASN 73 HD22 ASN 73 16.957 -1.641 -11.140 190 H GLU 74 H GLU 74 13.880 1.666 -12.465 191 HA GLU 74 HA GLU 74 11.975 -0.369 -13.039 192 HB2 GLU 74 HB2 GLU 74 12.079 1.725 -14.325 193 HB3 GLU 74 HB3 GLU 74 13.669 1.279 -14.927 194 HG2 GLU 74 HG2 GLU 74 11.983 0.864 -16.606 195 HG3 GLU 74 HG3 GLU 74 12.690 -0.657 -16.065 196 H GLY 75 H GLY 75 12.230 -2.365 -13.909 197 HA2 GLY 75 HA2 GLY 75 13.343 -4.237 -14.728 198 HA3 GLY 75 HA3 GLY 75 14.823 -3.289 -14.815 199 H GLY 76 H GLY 76 12.750 -3.669 -12.009 200 HA2 GLY 76 HA2 GLY 76 14.722 -5.402 -10.722 201 HA3 GLY 76 HA3 GLY 76 14.469 -3.813 -10.019 202 HA PRO 77 HA PRO 77 11.479 -6.843 -7.999 203 HB2 PRO 77 HB2 PRO 77 12.424 -5.203 -5.714 204 HB3 PRO 77 HB3 PRO 77 12.164 -6.947 -5.814 205 HG2 PRO 77 HG2 PRO 77 14.629 -5.874 -5.804 206 HG3 PRO 77 HG3 PRO 77 14.242 -7.340 -6.721 207 HD2 PRO 77 HD2 PRO 77 14.698 -4.567 -7.695 208 HD3 PRO 77 HD3 PRO 77 15.026 -6.117 -8.488 209 H SER 78 H SER 78 9.417 -6.204 -7.919 210 HA SER 78 HA SER 78 8.743 -3.414 -8.140 211 HB2 SER 78 HB2 SER 78 6.899 -5.793 -7.773 212 HB3 SER 78 HB3 SER 78 6.461 -4.198 -8.389 213 HG SER 78 HG SER 78 8.469 -5.104 -9.861 214 H TYR 79 H TYR 79 7.991 -2.082 -6.506 215 HA TYR 79 HA TYR 79 8.236 -3.208 -3.819 216 HB2 TYR 79 HB2 TYR 79 7.879 -0.340 -4.729 217 HB3 TYR 79 HB3 TYR 79 8.259 -0.860 -3.091 218 HD1 TYR 79 HD1 TYR 79 10.416 -2.440 -2.970 219 HD2 TYR 79 HD2 TYR 79 9.628 0.384 -6.048 220 HE1 TYR 79 HE1 TYR 79 12.812 -2.379 -3.518 221 HE2 TYR 79 HE2 TYR 79 12.022 0.446 -6.612 222 HH TYR 79 HH TYR 79 14.258 -1.825 -5.388 223 H LYS 80 H LYS 80 6.450 -3.803 -2.725 224 HA LYS 80 HA LYS 80 3.913 -2.672 -3.683 225 HB2 LYS 80 HB2 LYS 80 4.306 -5.463 -2.575 226 HB3 LYS 80 HB3 LYS 80 2.811 -4.793 -3.215 227 HG2 LYS 80 HG2 LYS 80 5.327 -5.412 -4.743 228 HG3 LYS 80 HG3 LYS 80 3.783 -6.254 -4.843 229 HD2 LYS 80 HD2 LYS 80 4.014 -3.335 -5.472 230 HD3 LYS 80 HD3 LYS 80 4.379 -4.556 -6.683 231 HE2 LYS 80 HE2 LYS 80 1.762 -4.071 -5.277 232 HE3 LYS 80 HE3 LYS 80 2.119 -3.860 -6.985 233 HZ1 LYS 80 HZ1 LYS 80 0.926 -5.886 -6.728 234 HZ2 LYS 80 HZ2 LYS 80 1.966 -6.424 -5.505 235 HZ3 LYS 80 HZ3 LYS 80 2.532 -6.298 -7.090 236 H LEU 81 H LEU 81 2.650 -1.748 -2.211 237 HA LEU 81 HA LEU 81 3.501 -1.855 0.611 238 HB2 LEU 81 HB2 LEU 81 3.230 0.299 -0.900 239 HB3 LEU 81 HB3 LEU 81 1.556 0.147 -0.434 240 HG LEU 81 HG LEU 81 3.892 1.015 1.139 241 HD11 LEU 81 HD11 LEU 81 2.298 2.518 2.073 242 HD12 LEU 81 HD12 LEU 81 0.964 1.599 1.383 243 HD13 LEU 81 HD13 LEU 81 2.067 2.476 0.324 244 HD21 LEU 81 HD21 LEU 81 2.908 0.375 3.269 245 HD22 LEU 81 HD22 LEU 81 3.301 -1.053 2.314 246 HD23 LEU 81 HD23 LEU 81 1.628 -0.505 2.431 247 HA PRO 82 HA PRO 82 -0.398 -4.297 0.668 248 HB2 PRO 82 HB2 PRO 82 0.846 -5.311 3.132 249 HB3 PRO 82 HB3 PRO 82 0.210 -6.200 1.745 250 HG2 PRO 82 HG2 PRO 82 2.816 -6.048 2.168 251 HG3 PRO 82 HG3 PRO 82 2.161 -5.952 0.525 252 HD2 PRO 82 HD2 PRO 82 3.066 -3.709 2.311 253 HD3 PRO 82 HD3 PRO 82 3.427 -3.988 0.598 254 H TYR 83 H TYR 83 -1.981 -2.984 1.301 255 HA TYR 83 HA TYR 83 -1.877 -1.932 4.042 256 HB2 TYR 83 HB2 TYR 83 -1.890 -0.102 2.489 257 HB3 TYR 83 HB3 TYR 83 -3.197 -0.826 1.559 258 HD1 TYR 83 HD1 TYR 83 -2.701 -0.062 5.180 259 HD2 TYR 83 HD2 TYR 83 -5.140 0.411 1.735 260 HE1 TYR 83 HE1 TYR 83 -4.317 1.204 6.514 261 HE2 TYR 83 HE2 TYR 83 -6.776 1.678 3.067 262 HH TYR 83 HH TYR 83 -6.067 2.641 6.368 263 H ASN 84 H ASN 84 -3.246 -2.869 5.408 264 HA ASN 84 HA ASN 84 -5.685 -4.073 4.391 265 HB2 ASN 84 HB2 ASN 84 -5.919 -5.049 6.563 266 HB3 ASN 84 HB3 ASN 84 -4.252 -5.275 6.095 267 HD21 ASN 84 HD21 ASN 84 -2.642 -4.149 7.196 268 HD22 ASN 84 HD22 ASN 84 -2.939 -3.361 8.706 269 H THR 85 H THR 85 -7.683 -3.192 4.849 270 HA THR 85 HA THR 85 -7.548 -0.383 4.713 271 HB THR 85 HB THR 85 -10.081 -0.553 4.626 272 HG1 THR 85 HG1 THR 85 -9.591 -3.355 4.427 273 HG21 THR 85 HG21 THR 85 -8.270 -0.807 2.744 274 HG22 THR 85 HG22 THR 85 -9.972 -1.126 2.403 275 HG23 THR 85 HG23 THR 85 -8.864 -2.466 2.691 276 H SER 86 H SER 86 -7.586 -2.264 7.449 277 HA SER 86 HA SER 86 -8.994 -0.236 9.038 278 HB2 SER 86 HB2 SER 86 -9.686 -2.595 9.321 279 HB3 SER 86 HB3 SER 86 -8.056 -2.988 9.864 280 HG SER 86 HG SER 86 -8.465 -1.266 11.501 281 H ASP 87 H ASP 87 -6.052 -0.354 7.921 282 HA ASP 87 HA ASP 87 -4.673 0.064 10.494 283 HB2 ASP 87 HB2 ASP 87 -3.908 -1.663 8.649 284 HB3 ASP 87 HB3 ASP 87 -3.199 -0.231 7.913 285 H ASP 88 H ASP 88 -3.114 1.813 10.621 286 HA ASP 88 HA ASP 88 -4.150 4.218 9.377 287 HB2 ASP 88 HB2 ASP 88 -1.886 3.871 11.353 288 HB3 ASP 88 HB3 ASP 88 -2.560 5.411 10.832 289 HA PRO 89 HA PRO 89 -1.471 4.499 5.946 290 HB2 PRO 89 HB2 PRO 89 -0.772 7.193 6.125 291 HB3 PRO 89 HB3 PRO 89 -2.183 6.553 5.288 292 HG2 PRO 89 HG2 PRO 89 -1.968 7.732 8.016 293 HG3 PRO 89 HG3 PRO 89 -3.282 7.862 6.832 294 HD2 PRO 89 HD2 PRO 89 -3.497 6.283 8.954 295 HD3 PRO 89 HD3 PRO 89 -4.148 5.777 7.389 296 H TRP 90 H TRP 90 -0.180 6.659 8.433 297 HA TRP 90 HA TRP 90 2.478 6.421 7.652 298 HB2 TRP 90 HB2 TRP 90 2.906 7.266 10.045 299 HB3 TRP 90 HB3 TRP 90 1.962 8.279 8.963 300 HD1 TRP 90 HD1 TRP 90 1.445 5.851 11.925 301 HE1 TRP 90 HE1 TRP 90 -0.764 6.473 13.098 302 HE3 TRP 90 HE3 TRP 90 -0.165 9.506 8.730 303 HZ2 TRP 90 HZ2 TRP 90 -2.890 8.286 12.725 304 HZ3 TRP 90 HZ3 TRP 90 -2.294 10.639 9.213 305 HH2 TRP 90 HH2 TRP 90 -3.628 10.041 11.169 306 H LEU 91 H LEU 91 0.546 4.325 9.640 307 HA LEU 91 HA LEU 91 2.800 2.927 10.756 308 HB2 LEU 91 HB2 LEU 91 -0.117 2.168 10.642 309 HB3 LEU 91 HB3 LEU 91 1.108 1.314 11.549 310 HG LEU 91 HG LEU 91 0.104 4.105 12.064 311 HD11 LEU 91 HD11 LEU 91 -0.035 1.553 13.665 312 HD12 LEU 91 HD12 LEU 91 -1.377 2.338 12.831 313 HD13 LEU 91 HD13 LEU 91 -0.602 3.135 14.201 314 HD21 LEU 91 HD21 LEU 91 1.662 4.232 13.877 315 HD22 LEU 91 HD22 LEU 91 2.556 3.864 12.401 316 HD23 LEU 91 HD23 LEU 91 2.225 2.591 13.572 317 H THR 92 H THR 92 0.252 2.083 8.414 318 HA THR 92 HA THR 92 1.216 -0.371 7.562 319 HB THR 92 HB THR 92 -0.169 1.727 5.882 320 HG1 THR 92 HG1 THR 92 -1.057 0.453 8.023 321 HG21 THR 92 HG21 THR 92 0.701 0.032 4.453 322 HG22 THR 92 HG22 THR 92 -1.027 -0.274 4.638 323 HG23 THR 92 HG23 THR 92 0.143 -1.248 5.530 324 H ALA 93 H ALA 93 1.997 2.864 6.413 325 HA ALA 93 HA ALA 93 3.613 2.043 4.234 326 HB1 ALA 93 HB1 ALA 93 2.564 4.184 4.200 327 HB2 ALA 93 HB2 ALA 93 4.307 4.449 4.277 328 HB3 ALA 93 HB3 ALA 93 3.321 4.640 5.724 329 H TYR 94 H TYR 94 4.228 2.996 7.559 330 HA TYR 94 HA TYR 94 7.047 3.091 7.453 331 HB2 TYR 94 HB2 TYR 94 5.429 3.938 9.267 332 HB3 TYR 94 HB3 TYR 94 5.420 2.283 9.857 333 HD1 TYR 94 HD1 TYR 94 7.577 1.253 10.578 334 HD2 TYR 94 HD2 TYR 94 7.200 5.408 9.823 335 HE1 TYR 94 HE1 TYR 94 9.597 1.667 11.929 336 HE2 TYR 94 HE2 TYR 94 9.223 5.846 11.153 337 HH TYR 94 HH TYR 94 11.247 3.240 12.348 338 H ASN 95 H ASN 95 4.717 0.549 8.157 339 HA ASN 95 HA ASN 95 6.480 -1.474 8.944 340 HB2 ASN 95 HB2 ASN 95 3.954 -1.520 9.078 341 HB3 ASN 95 HB3 ASN 95 3.938 -1.905 7.359 342 HD21 ASN 95 HD21 ASN 95 6.274 -3.050 9.728 343 HD22 ASN 95 HD22 ASN 95 5.837 -4.722 9.617 344 H PHE 96 H PHE 96 5.138 -0.841 5.692 345 HA PHE 96 HA PHE 96 6.719 -2.769 4.365 346 HB2 PHE 96 HB2 PHE 96 4.809 -1.984 3.214 347 HB3 PHE 96 HB3 PHE 96 5.281 -0.296 3.389 348 HD1 PHE 96 HD1 PHE 96 6.693 -3.458 1.969 349 HD2 PHE 96 HD2 PHE 96 6.069 0.725 1.492 350 HE1 PHE 96 HE1 PHE 96 7.778 -3.551 -0.238 351 HE2 PHE 96 HE2 PHE 96 7.146 0.637 -0.713 352 HZ PHE 96 HZ PHE 96 8.003 -1.500 -1.580 353 H LEU 97 H LEU 97 7.256 0.646 5.085 354 HA LEU 97 HA LEU 97 9.576 1.002 3.554 355 HB2 LEU 97 HB2 LEU 97 8.064 2.534 5.316 356 HB3 LEU 97 HB3 LEU 97 9.650 2.461 6.059 357 HG LEU 97 HG LEU 97 10.633 3.277 3.917 358 HD11 LEU 97 HD11 LEU 97 7.763 3.802 3.160 359 HD12 LEU 97 HD12 LEU 97 8.745 2.490 2.509 360 HD13 LEU 97 HD13 LEU 97 9.206 4.166 2.210 361 HD21 LEU 97 HD21 LEU 97 9.813 4.717 5.918 362 HD22 LEU 97 HD22 LEU 97 8.556 5.234 4.787 363 HD23 LEU 97 HD23 LEU 97 10.254 5.496 4.400 364 H GLN 98 H GLN 98 9.125 -0.213 6.835 365 HA GLN 98 HA GLN 98 11.906 -0.619 7.343 366 HB2 GLN 98 HB2 GLN 98 9.414 -1.765 8.598 367 HB3 GLN 98 HB3 GLN 98 11.033 -2.173 9.149 368 HG2 GLN 98 HG2 GLN 98 9.812 0.573 9.108 369 HG3 GLN 98 HG3 GLN 98 10.049 -0.449 10.524 370 HE21 GLN 98 HE21 GLN 98 12.133 -0.807 11.290 371 HE22 GLN 98 HE22 GLN 98 13.435 0.261 10.899 372 H LYS 99 H LYS 99 9.258 -2.684 6.275 373 HA LYS 99 HA LYS 99 10.576 -5.133 6.271 374 HB2 LYS 99 HB2 LYS 99 8.158 -4.884 6.095 375 HB3 LYS 99 HB3 LYS 99 8.322 -4.133 4.522 376 HG2 LYS 99 HG2 LYS 99 9.291 -6.928 5.000 377 HG3 LYS 99 HG3 LYS 99 7.595 -6.591 4.651 378 HD2 LYS 99 HD2 LYS 99 8.268 -5.465 2.571 379 HD3 LYS 99 HD3 LYS 99 9.952 -5.853 2.917 380 HE2 LYS 99 HE2 LYS 99 9.236 -8.285 2.983 381 HE3 LYS 99 HE3 LYS 99 7.706 -7.751 2.288 382 HZ1 LYS 99 HZ1 LYS 99 10.354 -7.214 1.059 383 HZ2 LYS 99 HZ2 LYS 99 8.829 -6.954 0.357 384 HZ3 LYS 99 HZ3 LYS 99 9.375 -8.535 0.643 385 H ASN 100 H ASN 100 10.319 -2.712 3.675 386 HA ASN 100 HA ASN 100 11.979 -4.438 1.993 387 HB2 ASN 100 HB2 ASN 100 9.827 -3.040 1.282 388 HB3 ASN 100 HB3 ASN 100 11.038 -1.788 1.029 389 HD21 ASN 100 HD21 ASN 100 12.764 -2.214 -0.464 390 HD22 ASN 100 HD22 ASN 100 12.526 -3.337 -1.757 391 H ASP 101 H ASP 101 12.442 -2.183 4.277 392 HA ASP 101 HA ASP 101 14.091 -0.759 4.895 393 HB2 ASP 101 HB2 ASP 101 15.555 -2.549 2.994 394 HB3 ASP 101 HB3 ASP 101 16.368 -1.141 3.664 395 H LEU 102 H LEU 102 12.447 0.646 3.579 396 HA LEU 102 HA LEU 102 13.818 1.965 1.350 397 HB2 LEU 102 HB2 LEU 102 11.018 2.315 2.412 398 HB3 LEU 102 HB3 LEU 102 11.685 3.222 1.084 399 HG LEU 102 HG LEU 102 10.730 1.717 -0.228 400 HD11 LEU 102 HD11 LEU 102 11.913 -0.334 -0.676 401 HD12 LEU 102 HD12 LEU 102 12.758 -0.198 0.868 402 HD13 LEU 102 HD13 LEU 102 13.054 0.987 -0.408 403 HD21 LEU 102 HD21 LEU 102 9.181 0.907 1.253 404 HD22 LEU 102 HD22 LEU 102 10.404 0.207 2.304 405 HD23 LEU 102 HD23 LEU 102 10.022 -0.567 0.765 406 H ASN 103 H ASN 103 13.562 4.354 1.305 407 HA ASN 103 HA ASN 103 14.704 5.489 3.675 408 HB2 ASN 103 HB2 ASN 103 15.244 6.060 1.231 409 HB3 ASN 103 HB3 ASN 103 13.743 6.968 1.239 410 HD21 ASN 103 HD21 ASN 103 16.998 6.833 2.389 411 HD22 ASN 103 HD22 ASN 103 17.046 8.437 3.043 412 HA PRO 104 HA PRO 104 10.996 6.815 5.703 413 HB2 PRO 104 HB2 PRO 104 12.606 9.184 6.492 414 HB3 PRO 104 HB3 PRO 104 11.737 8.023 7.501 415 HG2 PRO 104 HG2 PRO 104 14.386 7.949 7.350 416 HG3 PRO 104 HG3 PRO 104 13.440 6.448 7.386 417 HD2 PRO 104 HD2 PRO 104 14.730 7.818 5.053 418 HD3 PRO 104 HD3 PRO 104 14.660 6.086 5.437 419 H MET 105 H MET 105 12.676 8.753 3.397 420 HA MET 105 HA MET 105 10.946 10.955 3.163 421 HB2 MET 105 HB2 MET 105 13.165 10.811 2.101 422 HB3 MET 105 HB3 MET 105 12.562 9.567 1.024 423 HG2 MET 105 HG2 MET 105 10.931 11.207 0.135 424 HG3 MET 105 HG3 MET 105 11.715 12.446 1.115 425 HE1 MET 105 HE1 MET 105 12.171 9.860 -1.810 426 HE2 MET 105 HE2 MET 105 13.471 9.425 -0.701 427 HE3 MET 105 HE3 MET 105 13.851 10.138 -2.268 428 H PHE 106 H PHE 106 10.525 7.657 2.375 429 HA PHE 106 HA PHE 106 8.583 8.161 0.267 430 HB2 PHE 106 HB2 PHE 106 9.654 5.628 1.501 431 HB3 PHE 106 HB3 PHE 106 8.401 5.637 0.273 432 HD1 PHE 106 HD1 PHE 106 9.049 7.080 -1.876 433 HD2 PHE 106 HD2 PHE 106 11.830 5.289 0.820 434 HE1 PHE 106 HE1 PHE 106 10.775 7.117 -3.628 435 HE2 PHE 106 HE2 PHE 106 13.550 5.325 -0.935 436 HZ PHE 106 HZ PHE 106 13.024 6.239 -3.157 437 H LEU 107 H LEU 107 8.645 7.776 3.640 438 HA LEU 107 HA LEU 107 6.453 6.143 4.139 439 HB2 LEU 107 HB2 LEU 107 8.020 6.637 5.855 440 HB3 LEU 107 HB3 LEU 107 7.699 8.356 5.767 441 HG LEU 107 HG LEU 107 5.504 8.019 6.770 442 HD11 LEU 107 HD11 LEU 107 6.219 5.102 6.948 443 HD12 LEU 107 HD12 LEU 107 5.133 5.783 5.740 444 HD13 LEU 107 HD13 LEU 107 4.712 5.875 7.450 445 HD21 LEU 107 HD21 LEU 107 7.549 8.226 8.197 446 HD22 LEU 107 HD22 LEU 107 7.565 6.462 8.318 447 HD23 LEU 107 HD23 LEU 107 6.202 7.382 8.965 448 H ASP 108 H ASP 108 6.510 9.667 3.618 449 HA ASP 108 HA ASP 108 3.760 9.971 4.281 450 HB2 ASP 108 HB2 ASP 108 5.410 11.863 4.232 451 HB3 ASP 108 HB3 ASP 108 5.363 11.785 2.472 452 H GLN 109 H GLN 109 5.472 9.545 1.196 453 HA GLN 109 HA GLN 109 3.240 10.003 -0.449 454 HB2 GLN 109 HB2 GLN 109 4.575 9.438 -2.242 455 HB3 GLN 109 HB3 GLN 109 5.780 9.884 -1.045 456 HG2 GLN 109 HG2 GLN 109 6.187 7.553 -0.547 457 HG3 GLN 109 HG3 GLN 109 4.925 7.077 -1.680 458 HE21 GLN 109 HE21 GLN 109 6.296 5.890 -2.958 459 HE22 GLN 109 HE22 GLN 109 7.490 6.614 -3.973 460 H VAL 110 H VAL 110 4.561 6.995 0.881 461 HA VAL 110 HA VAL 110 2.684 5.297 -0.411 462 HB VAL 110 HB VAL 110 3.368 3.714 1.572 463 HG11 VAL 110 HG11 VAL 110 5.163 2.926 0.321 464 HG12 VAL 110 HG12 VAL 110 5.622 4.549 -0.172 465 HG13 VAL 110 HG13 VAL 110 4.199 3.791 -0.877 466 HG21 VAL 110 HG21 VAL 110 5.333 4.224 2.726 467 HG22 VAL 110 HG22 VAL 110 4.331 5.670 2.849 468 HG23 VAL 110 HG23 VAL 110 5.663 5.621 1.702 469 H ALA 111 H ALA 111 2.815 6.804 2.788 470 HA ALA 111 HA ALA 111 0.474 5.628 3.831 471 HB1 ALA 111 HB1 ALA 111 1.735 8.275 4.530 472 HB2 ALA 111 HB2 ALA 111 2.133 6.711 5.249 473 HB3 ALA 111 HB3 ALA 111 0.532 7.418 5.491 474 H LYS 112 H LYS 112 1.009 8.532 1.901 475 HA LYS 112 HA LYS 112 -1.624 9.541 2.138 476 HB2 LYS 112 HB2 LYS 112 0.578 10.044 0.148 477 HB3 LYS 112 HB3 LYS 112 -0.979 10.861 0.062 478 HG2 LYS 112 HG2 LYS 112 0.821 10.913 2.469 479 HG3 LYS 112 HG3 LYS 112 0.787 12.165 1.221 480 HD2 LYS 112 HD2 LYS 112 -1.475 12.710 1.731 481 HD3 LYS 112 HD3 LYS 112 -1.631 11.298 2.782 482 HE2 LYS 112 HE2 LYS 112 -1.360 13.406 4.031 483 HE3 LYS 112 HE3 LYS 112 -0.085 12.235 4.361 484 HZ1 LYS 112 HZ1 LYS 112 0.701 14.555 4.030 485 HZ2 LYS 112 HZ2 LYS 112 0.205 14.459 2.414 486 HZ3 LYS 112 HZ3 LYS 112 1.424 13.431 2.991 487 H PHE 113 H PHE 113 -0.123 7.287 -0.142 488 HA PHE 113 HA PHE 113 -2.419 7.104 -1.813 489 HB2 PHE 113 HB2 PHE 113 -0.085 6.236 -2.371 490 HB3 PHE 113 HB3 PHE 113 -0.473 4.852 -1.349 491 HD1 PHE 113 HD1 PHE 113 -2.406 3.419 -1.924 492 HD2 PHE 113 HD2 PHE 113 -0.958 6.410 -4.568 493 HE1 PHE 113 HE1 PHE 113 -3.615 2.344 -3.780 494 HE2 PHE 113 HE2 PHE 113 -2.162 5.351 -6.433 495 HZ PHE 113 HZ PHE 113 -3.495 3.316 -6.040 496 H ILE 114 H ILE 114 -1.310 5.284 1.007 497 HA ILE 114 HA ILE 114 -3.352 3.473 1.343 498 HB ILE 114 HB ILE 114 -1.778 5.075 3.323 499 HG12 ILE 114 HG12 ILE 114 -1.666 2.110 2.940 500 HG13 ILE 114 HG13 ILE 114 -0.863 3.169 1.780 501 HG21 ILE 114 HG21 ILE 114 -4.192 4.088 3.974 502 HG22 ILE 114 HG22 ILE 114 -2.848 4.224 5.094 503 HG23 ILE 114 HG23 ILE 114 -3.177 2.684 4.305 504 HD11 ILE 114 HD11 ILE 114 0.499 2.260 3.734 505 HD12 ILE 114 HD12 ILE 114 -0.381 3.436 4.710 506 HD13 ILE 114 HD13 ILE 114 0.611 3.977 3.365 507 H ILE 115 H ILE 115 -3.198 6.776 2.635 508 HA ILE 115 HA ILE 115 -5.755 6.914 3.707 509 HB ILE 115 HB ILE 115 -3.941 9.040 2.607 510 HG12 ILE 115 HG12 ILE 115 -4.839 8.545 5.445 511 HG13 ILE 115 HG13 ILE 115 -3.458 7.714 4.739 512 HG21 ILE 115 HG21 ILE 115 -5.995 10.071 2.280 513 HG22 ILE 115 HG22 ILE 115 -5.558 10.598 3.902 514 HG23 ILE 115 HG23 ILE 115 -6.722 9.297 3.683 515 HD11 ILE 115 HD11 ILE 115 -3.563 10.686 4.623 516 HD12 ILE 115 HD12 ILE 115 -2.175 9.591 4.701 517 HD13 ILE 115 HD13 ILE 115 -3.149 9.887 6.139 518 H ASP 116 H ASP 116 -4.627 7.926 0.493 519 HA ASP 116 HA ASP 116 -6.983 8.930 -0.534 520 HB2 ASP 116 HB2 ASP 116 -4.990 9.189 -1.795 521 HB3 ASP 116 HB3 ASP 116 -4.695 7.458 -1.837 522 H ASN 117 H ASN 117 -5.862 5.587 -0.475 523 HA ASN 117 HA ASN 117 -7.879 4.388 -1.975 524 HB2 ASN 117 HB2 ASN 117 -5.811 3.244 -1.331 525 HB3 ASN 117 HB3 ASN 117 -6.308 3.258 0.356 526 HD21 ASN 117 HD21 ASN 117 -7.827 1.784 1.065 527 HD22 ASN 117 HD22 ASN 117 -8.371 0.463 0.097 528 H THR 118 H THR 118 -7.881 5.410 1.384 529 HA THR 118 HA THR 118 -10.595 4.309 1.684 530 HB THR 118 HB THR 118 -10.083 4.639 4.199 531 HG1 THR 118 HG1 THR 118 -7.408 4.393 3.234 532 HG21 THR 118 HG21 THR 118 -8.755 2.480 2.563 533 HG22 THR 118 HG22 THR 118 -10.387 2.453 3.229 534 HG23 THR 118 HG23 THR 118 -8.994 2.408 4.307 535 H LYS 119 H LYS 119 -9.389 7.023 0.737 536 HA LYS 119 HA LYS 119 -11.119 8.708 2.432 537 HB2 LYS 119 HB2 LYS 119 -8.793 9.436 2.633 538 HB3 LYS 119 HB3 LYS 119 -8.639 9.481 0.878 539 HG2 LYS 119 HG2 LYS 119 -10.083 11.330 0.694 540 HG3 LYS 119 HG3 LYS 119 -10.596 11.190 2.379 541 HD2 LYS 119 HD2 LYS 119 -9.043 13.006 2.229 542 HD3 LYS 119 HD3 LYS 119 -8.252 11.663 3.054 543 HE2 LYS 119 HE2 LYS 119 -7.063 11.067 1.046 544 HE3 LYS 119 HE3 LYS 119 -7.934 12.301 0.130 545 HZ1 LYS 119 HZ1 LYS 119 -5.694 13.021 0.782 546 HZ2 LYS 119 HZ2 LYS 119 -6.114 12.856 2.415 547 HZ3 LYS 119 HZ3 LYS 119 -6.900 14.010 1.456 548 H GLY 120 H GLY 120 -9.684 9.574 -0.634 549 HA2 GLY 120 HA2 GLY 120 -11.633 8.789 -2.416 550 HA3 GLY 120 HA3 GLY 120 -12.171 10.340 -1.780 551 H GLN 121 H GLN 121 -10.481 12.089 -1.799 552 HA GLN 121 HA GLN 121 -9.231 13.537 -3.006 553 HB2 GLN 121 HB2 GLN 121 -8.011 10.997 -4.085 554 HB3 GLN 121 HB3 GLN 121 -7.434 12.602 -4.512 555 HG2 GLN 121 HG2 GLN 121 -7.566 11.552 -1.696 556 HG3 GLN 121 HG3 GLN 121 -6.135 11.472 -2.722 557 HE21 GLN 121 HE21 GLN 121 -5.015 13.347 -3.201 558 HE22 GLN 121 HE22 GLN 121 -5.255 14.816 -2.318 559 H MET 122 H MET 122 -9.571 10.962 -5.426 560 HA MET 122 HA MET 122 -10.647 12.762 -7.378 561 HB2 MET 122 HB2 MET 122 -9.367 10.863 -8.135 562 HB3 MET 122 HB3 MET 122 -10.430 9.750 -7.286 563 HG2 MET 122 HG2 MET 122 -10.866 9.730 -9.669 564 HG3 MET 122 HG3 MET 122 -12.257 10.331 -8.775 565 HE1 MET 122 HE1 MET 122 -13.266 11.211 -11.044 566 HE2 MET 122 HE2 MET 122 -11.846 10.669 -11.941 567 HE3 MET 122 HE3 MET 122 -12.436 12.321 -12.131 568 H LEU 123 H LEU 123 -12.468 13.674 -6.509 569 HA LEU 123 HA LEU 123 -14.706 13.946 -6.334 570 HB2 LEU 123 HB2 LEU 123 -14.998 12.433 -8.193 571 HB3 LEU 123 HB3 LEU 123 -14.843 11.042 -7.138 572 HG LEU 123 HG LEU 123 -16.943 11.745 -5.990 573 HD11 LEU 123 HD11 LEU 123 -17.087 13.758 -8.229 574 HD12 LEU 123 HD12 LEU 123 -16.881 14.117 -6.515 575 HD13 LEU 123 HD13 LEU 123 -18.385 13.391 -7.090 576 HD21 LEU 123 HD21 LEU 123 -18.439 11.016 -7.775 577 HD22 LEU 123 HD22 LEU 123 -16.967 10.047 -7.749 578 HD23 LEU 123 HD23 LEU 123 -17.174 11.306 -8.965 579 H GLY 124 H GLY 124 -13.640 10.872 -4.879 580 HA2 GLY 124 HA2 GLY 124 -13.560 11.025 -2.374 581 HA3 GLY 124 HA3 GLY 124 -15.213 11.610 -2.491 582 H LEU 125 H LEU 125 -14.159 9.301 -1.080 583 HA LEU 125 HA LEU 125 -14.804 7.204 -0.547 584 HB2 LEU 125 HB2 LEU 125 -17.043 7.797 -2.476 585 HB3 LEU 125 HB3 LEU 125 -16.984 6.390 -1.431 586 HG LEU 125 HG LEU 125 -17.105 9.262 -0.501 587 HD11 LEU 125 HD11 LEU 125 -19.359 8.718 0.215 588 HD12 LEU 125 HD12 LEU 125 -19.187 7.084 -0.422 589 HD13 LEU 125 HD13 LEU 125 -19.192 8.462 -1.522 590 HD21 LEU 125 HD21 LEU 125 -17.407 8.302 1.724 591 HD22 LEU 125 HD22 LEU 125 -15.853 7.825 1.037 592 HD23 LEU 125 HD23 LEU 125 -17.195 6.682 1.058 593 H GLY 126 H GLY 126 -15.603 5.027 -1.651 594 HA2 GLY 126 HA2 GLY 126 -14.512 4.619 -4.309 595 HA3 GLY 126 HA3 GLY 126 -13.668 3.794 -3.003 596 H ASN 127 H ASN 127 -16.965 4.348 -4.172 597 HA ASN 127 HA ASN 127 -18.803 3.045 -4.339 598 HB2 ASN 127 HB2 ASN 127 -17.411 1.471 -5.599 599 HB3 ASN 127 HB3 ASN 127 -16.872 0.723 -4.099 600 HD21 ASN 127 HD21 ASN 127 -19.576 1.205 -6.259 601 HD22 ASN 127 HD22 ASN 127 -20.540 -0.109 -5.657 602 HA PRO 128 HA PRO 128 -19.239 2.913 0.174 603 HB2 PRO 128 HB2 PRO 128 -22.040 3.521 -0.460 604 HB3 PRO 128 HB3 PRO 128 -20.887 4.443 0.509 605 HG2 PRO 128 HG2 PRO 128 -21.722 5.283 -1.915 606 HG3 PRO 128 HG3 PRO 128 -20.086 5.605 -1.312 607 HD2 PRO 128 HD2 PRO 128 -21.016 3.534 -3.266 608 HD3 PRO 128 HD3 PRO 128 -19.555 4.546 -3.306 Start of MODEL 15 1 H1 ALA 49 H1 ALA 49 -17.784 -14.263 -4.715 2 H2 ALA 49 H2 ALA 49 -16.114 -14.532 -4.578 3 H3 ALA 49 H3 ALA 49 -16.911 -13.564 -3.442 4 HA ALA 49 HA ALA 49 -18.177 -15.438 -2.657 5 HB1 ALA 49 HB1 ALA 49 -17.683 -17.684 -3.463 6 HB2 ALA 49 HB2 ALA 49 -16.543 -17.023 -4.636 7 HB3 ALA 49 HB3 ALA 49 -18.263 -16.657 -4.777 8 H ASN 50 H ASN 50 -17.366 -16.788 -0.972 9 HA ASN 50 HA ASN 50 -14.676 -15.980 -0.137 10 HB2 ASN 50 HB2 ASN 50 -16.924 -17.297 1.409 11 HB3 ASN 50 HB3 ASN 50 -15.373 -16.829 2.094 12 HD21 ASN 50 HD21 ASN 50 -18.441 -15.726 0.915 13 HD22 ASN 50 HD22 ASN 50 -18.300 -14.095 1.478 14 H GLN 51 H GLN 51 -14.966 -17.941 -2.194 15 HA GLN 51 HA GLN 51 -14.141 -20.419 -0.841 16 HB2 GLN 51 HB2 GLN 51 -15.143 -19.959 -3.656 17 HB3 GLN 51 HB3 GLN 51 -14.616 -21.510 -3.022 18 HG2 GLN 51 HG2 GLN 51 -16.427 -21.563 -1.462 19 HG3 GLN 51 HG3 GLN 51 -16.888 -19.912 -1.869 20 HE21 GLN 51 HE21 GLN 51 -15.867 -22.182 -4.295 21 HE22 GLN 51 HE22 GLN 51 -17.420 -22.392 -5.038 22 H GLN 52 H GLN 52 -13.425 -18.582 -3.810 23 HA GLN 52 HA GLN 52 -10.806 -19.788 -4.008 24 HB2 GLN 52 HB2 GLN 52 -11.738 -17.469 -5.679 25 HB3 GLN 52 HB3 GLN 52 -10.637 -18.768 -6.113 26 HG2 GLN 52 HG2 GLN 52 -12.443 -19.472 -7.266 27 HG3 GLN 52 HG3 GLN 52 -12.834 -20.220 -5.717 28 HE21 GLN 52 HE21 GLN 52 -13.642 -17.747 -7.990 29 HE22 GLN 52 HE22 GLN 52 -15.123 -17.243 -7.240 30 H THR 53 H THR 53 -8.941 -18.221 -4.544 31 HA THR 53 HA THR 53 -8.896 -16.102 -2.509 32 HB THR 53 HB THR 53 -6.359 -16.325 -2.801 33 HG1 THR 53 HG1 THR 53 -6.003 -17.571 -4.526 34 HG21 THR 53 HG21 THR 53 -7.892 -18.673 -1.675 35 HG22 THR 53 HG22 THR 53 -7.563 -17.159 -0.832 36 HG23 THR 53 HG23 THR 53 -6.233 -18.232 -1.270 37 H SER 54 H SER 54 -10.090 -14.867 -4.255 38 HA SER 54 HA SER 54 -8.132 -13.553 -6.008 39 HB2 SER 54 HB2 SER 54 -9.499 -15.274 -7.260 40 HB3 SER 54 HB3 SER 54 -10.925 -14.300 -6.905 41 HG SER 54 HG SER 54 -10.349 -12.905 -8.377 42 H GLY 55 H GLY 55 -9.565 -12.943 -3.419 43 HA2 GLY 55 HA2 GLY 55 -11.004 -10.509 -4.265 44 HA3 GLY 55 HA3 GLY 55 -11.140 -11.267 -2.684 45 H LYS 56 H LYS 56 -8.449 -11.672 -2.150 46 HA LYS 56 HA LYS 56 -7.542 -8.979 -1.614 47 HB2 LYS 56 HB2 LYS 56 -7.188 -11.646 -0.446 48 HB3 LYS 56 HB3 LYS 56 -5.718 -10.679 -0.475 49 HG2 LYS 56 HG2 LYS 56 -6.886 -10.363 1.613 50 HG3 LYS 56 HG3 LYS 56 -6.881 -8.885 0.661 51 HD2 LYS 56 HD2 LYS 56 -9.182 -9.528 -0.144 52 HD3 LYS 56 HD3 LYS 56 -9.167 -10.775 1.106 53 HE2 LYS 56 HE2 LYS 56 -8.923 -9.122 2.834 54 HE3 LYS 56 HE3 LYS 56 -8.711 -7.843 1.641 55 HZ1 LYS 56 HZ1 LYS 56 -10.917 -7.688 2.392 56 HZ2 LYS 56 HZ2 LYS 56 -11.178 -9.356 2.272 57 HZ3 LYS 56 HZ3 LYS 56 -11.020 -8.420 0.864 58 H VAL 57 H VAL 57 -5.223 -8.513 -1.827 59 HA VAL 57 HA VAL 57 -4.274 -9.285 -4.479 60 HB VAL 57 HB VAL 57 -2.991 -7.311 -2.591 61 HG11 VAL 57 HG11 VAL 57 -2.869 -7.730 -5.562 62 HG12 VAL 57 HG12 VAL 57 -1.551 -7.801 -4.386 63 HG13 VAL 57 HG13 VAL 57 -2.304 -6.255 -4.777 64 HG21 VAL 57 HG21 VAL 57 -4.331 -5.567 -3.305 65 HG22 VAL 57 HG22 VAL 57 -5.477 -6.885 -3.056 66 HG23 VAL 57 HG23 VAL 57 -4.951 -6.474 -4.689 67 H LEU 58 H LEU 58 -2.718 -10.765 -4.735 68 HA LEU 58 HA LEU 58 -1.346 -11.748 -2.356 69 HB2 LEU 58 HB2 LEU 58 -2.472 -13.326 -3.913 70 HB3 LEU 58 HB3 LEU 58 -1.330 -12.863 -5.164 71 HG LEU 58 HG LEU 58 0.484 -13.640 -3.496 72 HD11 LEU 58 HD11 LEU 58 -1.684 -15.367 -2.399 73 HD12 LEU 58 HD12 LEU 58 -1.411 -13.772 -1.704 74 HD13 LEU 58 HD13 LEU 58 -0.105 -14.965 -1.711 75 HD21 LEU 58 HD21 LEU 58 -0.080 -14.818 -5.568 76 HD22 LEU 58 HD22 LEU 58 -1.389 -15.657 -4.733 77 HD23 LEU 58 HD23 LEU 58 0.284 -15.942 -4.258 78 H TYR 59 H TYR 59 0.464 -10.738 -1.853 79 HA TYR 59 HA TYR 59 2.355 -10.118 -4.025 80 HB2 TYR 59 HB2 TYR 59 2.988 -8.136 -3.017 81 HB3 TYR 59 HB3 TYR 59 1.301 -8.193 -2.523 82 HD1 TYR 59 HD1 TYR 59 0.807 -9.209 -0.191 83 HD2 TYR 59 HD2 TYR 59 4.660 -7.907 -1.434 84 HE1 TYR 59 HE1 TYR 59 1.538 -9.124 2.160 85 HE2 TYR 59 HE2 TYR 59 5.399 -7.812 0.906 86 HH TYR 59 HH TYR 59 3.854 -9.299 3.379 87 H GLU 60 H GLU 60 3.988 -11.487 -4.047 88 HA GLU 60 HA GLU 60 5.630 -12.924 -3.413 89 HB2 GLU 60 HB2 GLU 60 5.632 -11.258 -0.909 90 HB3 GLU 60 HB3 GLU 60 6.939 -12.302 -1.453 91 HG2 GLU 60 HG2 GLU 60 5.882 -9.959 -2.999 92 HG3 GLU 60 HG3 GLU 60 7.284 -9.899 -1.934 93 H GLY 61 H GLY 61 2.812 -13.439 -2.526 94 HA2 GLY 61 HA2 GLY 61 2.211 -15.708 -1.931 95 HA3 GLY 61 HA3 GLY 61 3.508 -15.690 -0.755 96 H LYS 62 H LYS 62 2.264 -12.757 -0.261 97 HA LYS 62 HA LYS 62 0.324 -13.786 1.712 98 HB2 LYS 62 HB2 LYS 62 2.317 -12.531 2.589 99 HB3 LYS 62 HB3 LYS 62 1.717 -11.115 1.743 100 HG2 LYS 62 HG2 LYS 62 -0.298 -11.124 3.084 101 HG3 LYS 62 HG3 LYS 62 0.246 -12.585 3.910 102 HD2 LYS 62 HD2 LYS 62 1.835 -10.029 3.912 103 HD3 LYS 62 HD3 LYS 62 0.617 -10.395 5.135 104 HE2 LYS 62 HE2 LYS 62 3.013 -12.119 4.505 105 HE3 LYS 62 HE3 LYS 62 2.914 -10.976 5.845 106 HZ1 LYS 62 HZ1 LYS 62 2.423 -13.215 6.584 107 HZ2 LYS 62 HZ2 LYS 62 1.173 -13.351 5.450 108 HZ3 LYS 62 HZ3 LYS 62 1.039 -12.242 6.723 109 H GLU 63 H GLU 63 -1.592 -12.595 2.089 110 HA GLU 63 HA GLU 63 -2.550 -11.203 -0.319 111 HB2 GLU 63 HB2 GLU 63 -3.924 -13.018 1.633 112 HB3 GLU 63 HB3 GLU 63 -4.847 -11.907 0.633 113 HG2 GLU 63 HG2 GLU 63 -3.984 -12.960 -1.369 114 HG3 GLU 63 HG3 GLU 63 -2.982 -14.035 -0.392 115 H PHE 64 H PHE 64 -3.346 -9.214 -0.160 116 HA PHE 64 HA PHE 64 -4.124 -8.174 2.471 117 HB2 PHE 64 HB2 PHE 64 -1.896 -7.264 0.813 118 HB3 PHE 64 HB3 PHE 64 -2.978 -5.973 1.294 119 HD1 PHE 64 HD1 PHE 64 -3.355 -5.523 3.703 120 HD2 PHE 64 HD2 PHE 64 -0.454 -8.326 2.353 121 HE1 PHE 64 HE1 PHE 64 -2.278 -5.464 5.914 122 HE2 PHE 64 HE2 PHE 64 0.631 -8.277 4.563 123 HZ PHE 64 HZ PHE 64 -0.280 -6.843 6.347 124 H ASP 65 H ASP 65 -5.203 -5.955 2.193 125 HA ASP 65 HA ASP 65 -7.482 -6.314 0.570 126 HB2 ASP 65 HB2 ASP 65 -6.462 -4.157 2.319 127 HB3 ASP 65 HB3 ASP 65 -7.565 -3.641 1.053 128 H TYR 66 H TYR 66 -5.126 -3.677 0.358 129 HA TYR 66 HA TYR 66 -5.206 -3.867 -2.572 130 HB2 TYR 66 HB2 TYR 66 -5.498 -1.302 -0.987 131 HB3 TYR 66 HB3 TYR 66 -5.370 -1.412 -2.735 132 HD1 TYR 66 HD1 TYR 66 -7.247 -2.505 -4.024 133 HD2 TYR 66 HD2 TYR 66 -7.554 -1.572 0.117 134 HE1 TYR 66 HE1 TYR 66 -9.698 -2.679 -4.168 135 HE2 TYR 66 HE2 TYR 66 -10.000 -1.748 -0.017 136 HH TYR 66 HH TYR 66 -11.614 -3.176 -2.527 137 H VAL 67 H VAL 67 -3.072 -4.485 -2.883 138 HA VAL 67 HA VAL 67 -1.049 -2.923 -1.473 139 HB VAL 67 HB VAL 67 0.471 -4.551 -1.776 140 HG11 VAL 67 HG11 VAL 67 -1.521 -5.536 -0.694 141 HG12 VAL 67 HG12 VAL 67 -0.450 -6.716 -1.446 142 HG13 VAL 67 HG13 VAL 67 -1.956 -6.253 -2.248 143 HG21 VAL 67 HG21 VAL 67 -0.677 -5.892 -4.155 144 HG22 VAL 67 HG22 VAL 67 1.013 -5.676 -3.668 145 HG23 VAL 67 HG23 VAL 67 0.116 -4.331 -4.374 146 H PHE 68 H PHE 68 0.119 -1.406 -2.402 147 HA PHE 68 HA PHE 68 -0.624 -0.565 -5.091 148 HB2 PHE 68 HB2 PHE 68 -0.606 1.041 -3.188 149 HB3 PHE 68 HB3 PHE 68 1.116 0.768 -3.000 150 HD1 PHE 68 HD1 PHE 68 -0.959 1.348 -6.042 151 HD2 PHE 68 HD2 PHE 68 2.195 2.706 -3.530 152 HE1 PHE 68 HE1 PHE 68 -0.482 3.162 -7.636 153 HE2 PHE 68 HE2 PHE 68 2.678 4.528 -5.119 154 HZ PHE 68 HZ PHE 68 1.339 4.757 -7.175 155 H SER 69 H SER 69 0.973 -0.118 -6.727 156 HA SER 69 HA SER 69 3.360 -1.781 -6.399 157 HB2 SER 69 HB2 SER 69 2.019 -2.360 -8.318 158 HB3 SER 69 HB3 SER 69 2.009 -0.696 -8.870 159 HG SER 69 HG SER 69 4.153 -0.852 -9.413 160 H ILE 70 H ILE 70 5.209 -0.867 -5.976 161 HA ILE 70 HA ILE 70 5.491 2.033 -6.281 162 HB ILE 70 HB ILE 70 7.127 0.089 -4.680 163 HG12 ILE 70 HG12 ILE 70 4.864 0.368 -3.812 164 HG13 ILE 70 HG13 ILE 70 6.048 1.118 -2.765 165 HG21 ILE 70 HG21 ILE 70 8.187 2.033 -3.698 166 HG22 ILE 70 HG22 ILE 70 7.203 3.101 -4.694 167 HG23 ILE 70 HG23 ILE 70 8.407 2.055 -5.449 168 HD11 ILE 70 HD11 ILE 70 5.498 3.293 -3.943 169 HD12 ILE 70 HD12 ILE 70 4.303 2.642 -2.824 170 HD13 ILE 70 HD13 ILE 70 4.082 2.444 -4.564 171 H ASP 71 H ASP 71 6.554 2.671 -8.066 172 HA ASP 71 HA ASP 71 8.856 1.057 -8.928 173 HB2 ASP 71 HB2 ASP 71 8.649 2.164 -11.133 174 HB3 ASP 71 HB3 ASP 71 7.230 1.219 -10.706 175 H VAL 72 H VAL 72 10.719 1.828 -8.289 176 HA VAL 72 HA VAL 72 11.144 4.719 -8.364 177 HB VAL 72 HB VAL 72 10.742 4.276 -6.037 178 HG11 VAL 72 HG11 VAL 72 12.181 2.699 -4.767 179 HG12 VAL 72 HG12 VAL 72 12.819 2.123 -6.309 180 HG13 VAL 72 HG13 VAL 72 11.110 1.916 -5.930 181 HG21 VAL 72 HG21 VAL 72 12.876 4.992 -5.051 182 HG22 VAL 72 HG22 VAL 72 12.496 5.884 -6.524 183 HG23 VAL 72 HG23 VAL 72 13.698 4.593 -6.560 184 H ASN 73 H ASN 73 12.712 1.535 -8.061 185 HA ASN 73 HA ASN 73 14.776 2.571 -9.875 186 HB2 ASN 73 HB2 ASN 73 16.306 0.870 -9.062 187 HB3 ASN 73 HB3 ASN 73 15.693 1.788 -7.697 188 HD21 ASN 73 HD21 ASN 73 14.386 0.768 -6.179 189 HD22 ASN 73 HD22 ASN 73 14.183 -0.952 -6.143 190 H GLU 74 H GLU 74 14.552 1.930 -11.890 191 HA GLU 74 HA GLU 74 12.906 -0.418 -12.449 192 HB2 GLU 74 HB2 GLU 74 12.415 1.673 -13.651 193 HB3 GLU 74 HB3 GLU 74 14.036 1.660 -14.331 194 HG2 GLU 74 HG2 GLU 74 13.581 -0.256 -15.631 195 HG3 GLU 74 HG3 GLU 74 12.081 -0.573 -14.762 196 H GLY 75 H GLY 75 13.702 -2.293 -13.130 197 HA2 GLY 75 HA2 GLY 75 15.412 -3.503 -14.426 198 HA3 GLY 75 HA3 GLY 75 16.597 -2.402 -13.730 199 H GLY 76 H GLY 76 15.288 -2.433 -11.127 200 HA2 GLY 76 HA2 GLY 76 16.231 -5.054 -10.205 201 HA3 GLY 76 HA3 GLY 76 16.030 -3.620 -9.204 202 HA PRO 77 HA PRO 77 12.359 -6.449 -8.605 203 HB2 PRO 77 HB2 PRO 77 12.348 -6.232 -5.877 204 HB3 PRO 77 HB3 PRO 77 13.238 -7.475 -6.760 205 HG2 PRO 77 HG2 PRO 77 14.227 -4.915 -5.583 206 HG3 PRO 77 HG3 PRO 77 14.992 -6.514 -5.590 207 HD2 PRO 77 HD2 PRO 77 15.731 -4.542 -7.290 208 HD3 PRO 77 HD3 PRO 77 15.798 -6.260 -7.731 209 H SER 78 H SER 78 10.367 -5.640 -8.650 210 HA SER 78 HA SER 78 9.934 -2.838 -8.111 211 HB2 SER 78 HB2 SER 78 7.949 -4.981 -8.920 212 HB3 SER 78 HB3 SER 78 7.697 -3.237 -8.995 213 HG SER 78 HG SER 78 9.959 -4.090 -10.291 214 H TYR 79 H TYR 79 8.388 -2.019 -6.590 215 HA TYR 79 HA TYR 79 8.317 -3.694 -4.188 216 HB2 TYR 79 HB2 TYR 79 8.060 -0.688 -4.523 217 HB3 TYR 79 HB3 TYR 79 7.955 -1.541 -2.986 218 HD1 TYR 79 HD1 TYR 79 10.263 -3.548 -3.857 219 HD2 TYR 79 HD2 TYR 79 9.887 0.688 -3.724 220 HE1 TYR 79 HE1 TYR 79 12.694 -3.343 -3.581 221 HE2 TYR 79 HE2 TYR 79 12.320 0.901 -3.447 222 HH TYR 79 HH TYR 79 14.464 -1.679 -3.964 223 H LYS 80 H LYS 80 6.382 -4.053 -3.082 224 HA LYS 80 HA LYS 80 4.002 -2.795 -4.259 225 HB2 LYS 80 HB2 LYS 80 4.085 -5.578 -3.057 226 HB3 LYS 80 HB3 LYS 80 2.674 -4.786 -3.742 227 HG2 LYS 80 HG2 LYS 80 5.129 -5.696 -5.218 228 HG3 LYS 80 HG3 LYS 80 3.522 -6.407 -5.293 229 HD2 LYS 80 HD2 LYS 80 3.749 -3.538 -5.961 230 HD3 LYS 80 HD3 LYS 80 4.440 -4.672 -7.117 231 HE2 LYS 80 HE2 LYS 80 1.592 -4.502 -6.157 232 HE3 LYS 80 HE3 LYS 80 2.202 -4.214 -7.779 233 HZ1 LYS 80 HZ1 LYS 80 1.149 -6.382 -7.609 234 HZ2 LYS 80 HZ2 LYS 80 2.226 -6.846 -6.389 235 HZ3 LYS 80 HZ3 LYS 80 2.803 -6.548 -7.952 236 H LEU 81 H LEU 81 2.473 -2.049 -2.821 237 HA LEU 81 HA LEU 81 3.376 -1.924 -0.005 238 HB2 LEU 81 HB2 LEU 81 3.084 0.153 -1.680 239 HB3 LEU 81 HB3 LEU 81 1.445 0.054 -1.085 240 HG LEU 81 HG LEU 81 3.889 0.986 0.255 241 HD11 LEU 81 HD11 LEU 81 2.376 2.523 1.244 242 HD12 LEU 81 HD12 LEU 81 0.997 1.543 0.765 243 HD13 LEU 81 HD13 LEU 81 1.955 2.372 -0.465 244 HD21 LEU 81 HD21 LEU 81 3.056 0.440 2.497 245 HD22 LEU 81 HD22 LEU 81 3.473 -1.013 1.582 246 HD23 LEU 81 HD23 LEU 81 1.783 -0.547 1.776 247 HA PRO 82 HA PRO 82 -0.595 -4.288 0.137 248 HB2 PRO 82 HB2 PRO 82 0.752 -5.138 2.632 249 HB3 PRO 82 HB3 PRO 82 -0.060 -6.113 1.402 250 HG2 PRO 82 HG2 PRO 82 2.571 -6.116 1.552 251 HG3 PRO 82 HG3 PRO 82 1.773 -6.060 -0.032 252 HD2 PRO 82 HD2 PRO 82 3.013 -3.823 1.522 253 HD3 PRO 82 HD3 PRO 82 3.152 -4.198 -0.201 254 H TYR 83 H TYR 83 -2.115 -2.828 0.696 255 HA TYR 83 HA TYR 83 -2.018 -1.715 3.415 256 HB2 TYR 83 HB2 TYR 83 -2.060 0.050 1.792 257 HB3 TYR 83 HB3 TYR 83 -3.370 -0.718 0.898 258 HD1 TYR 83 HD1 TYR 83 -2.919 0.139 4.522 259 HD2 TYR 83 HD2 TYR 83 -5.260 0.596 0.999 260 HE1 TYR 83 HE1 TYR 83 -4.551 1.469 5.785 261 HE2 TYR 83 HE2 TYR 83 -6.902 1.929 2.259 262 HH TYR 83 HH TYR 83 -6.264 3.105 5.422 263 H ASN 84 H ASN 84 -3.319 -2.715 4.821 264 HA ASN 84 HA ASN 84 -5.815 -3.870 3.883 265 HB2 ASN 84 HB2 ASN 84 -5.980 -4.890 6.031 266 HB3 ASN 84 HB3 ASN 84 -4.334 -5.126 5.495 267 HD21 ASN 84 HD21 ASN 84 -2.679 -4.057 6.556 268 HD22 ASN 84 HD22 ASN 84 -2.899 -3.312 8.098 269 H THR 85 H THR 85 -7.803 -3.046 4.512 270 HA THR 85 HA THR 85 -7.733 -0.226 4.467 271 HB THR 85 HB THR 85 -10.254 -0.448 4.584 272 HG1 THR 85 HG1 THR 85 -9.732 -3.232 4.227 273 HG21 THR 85 HG21 THR 85 -8.581 -0.593 2.562 274 HG22 THR 85 HG22 THR 85 -10.305 -0.891 2.334 275 HG23 THR 85 HG23 THR 85 -9.181 -2.248 2.466 276 H SER 86 H SER 86 -7.530 -2.195 7.142 277 HA SER 86 HA SER 86 -8.886 -0.238 8.862 278 HB2 SER 86 HB2 SER 86 -7.966 -3.048 9.470 279 HB3 SER 86 HB3 SER 86 -8.756 -1.979 10.623 280 HG SER 86 HG SER 86 -10.400 -1.884 8.723 281 H ASP 87 H ASP 87 -5.993 -0.345 7.603 282 HA ASP 87 HA ASP 87 -4.561 0.159 10.135 283 HB2 ASP 87 HB2 ASP 87 -3.762 -1.672 8.473 284 HB3 ASP 87 HB3 ASP 87 -3.172 -0.318 7.513 285 H ASP 88 H ASP 88 -2.986 1.922 10.124 286 HA ASP 88 HA ASP 88 -4.150 4.241 8.802 287 HB2 ASP 88 HB2 ASP 88 -2.050 3.989 10.961 288 HB3 ASP 88 HB3 ASP 88 -2.557 5.526 10.264 289 HA PRO 89 HA PRO 89 -1.420 4.690 5.472 290 HB2 PRO 89 HB2 PRO 89 -0.703 7.370 5.751 291 HB3 PRO 89 HB3 PRO 89 -2.115 6.763 4.885 292 HG2 PRO 89 HG2 PRO 89 -1.910 7.855 7.652 293 HG3 PRO 89 HG3 PRO 89 -3.219 8.026 6.470 294 HD2 PRO 89 HD2 PRO 89 -3.436 6.376 8.542 295 HD3 PRO 89 HD3 PRO 89 -4.098 5.936 6.957 296 H TRP 90 H TRP 90 -0.122 6.775 8.043 297 HA TRP 90 HA TRP 90 2.539 6.460 7.254 298 HB2 TRP 90 HB2 TRP 90 3.100 7.381 9.512 299 HB3 TRP 90 HB3 TRP 90 1.954 8.349 8.597 300 HD1 TRP 90 HD1 TRP 90 2.152 6.074 11.681 301 HE1 TRP 90 HE1 TRP 90 0.093 6.522 13.162 302 HE3 TRP 90 HE3 TRP 90 -0.433 9.190 8.555 303 HZ2 TRP 90 HZ2 TRP 90 -2.300 8.008 13.025 304 HZ3 TRP 90 HZ3 TRP 90 -2.598 10.087 9.312 305 HH2 TRP 90 HH2 TRP 90 -3.509 9.505 11.499 306 H LEU 91 H LEU 91 0.495 4.438 9.183 307 HA LEU 91 HA LEU 91 2.660 2.935 10.337 308 HB2 LEU 91 HB2 LEU 91 -0.286 2.306 10.124 309 HB3 LEU 91 HB3 LEU 91 0.871 1.373 11.045 310 HG LEU 91 HG LEU 91 0.035 4.212 11.595 311 HD11 LEU 91 HD11 LEU 91 -0.412 1.641 13.106 312 HD12 LEU 91 HD12 LEU 91 -1.632 2.574 12.239 313 HD13 LEU 91 HD13 LEU 91 -0.856 3.252 13.670 314 HD21 LEU 91 HD21 LEU 91 1.503 4.128 13.508 315 HD22 LEU 91 HD22 LEU 91 2.424 3.801 12.039 316 HD23 LEU 91 HD23 LEU 91 1.978 2.475 13.112 317 H THR 92 H THR 92 0.152 2.211 7.899 318 HA THR 92 HA THR 92 1.077 -0.247 7.028 319 HB THR 92 HB THR 92 -0.219 1.908 5.350 320 HG1 THR 92 HG1 THR 92 -1.176 0.590 7.443 321 HG21 THR 92 HG21 THR 92 0.679 0.199 3.931 322 HG22 THR 92 HG22 THR 92 -1.067 -0.023 4.024 323 HG23 THR 92 HG23 THR 92 0.007 -1.071 4.954 324 H ALA 93 H ALA 93 1.967 2.989 5.938 325 HA ALA 93 HA ALA 93 3.637 2.118 3.812 326 HB1 ALA 93 HB1 ALA 93 2.610 4.290 3.750 327 HB2 ALA 93 HB2 ALA 93 4.360 4.488 3.795 328 HB3 ALA 93 HB3 ALA 93 3.405 4.752 5.251 329 H TYR 94 H TYR 94 4.157 3.102 7.157 330 HA TYR 94 HA TYR 94 6.979 3.107 7.113 331 HB2 TYR 94 HB2 TYR 94 5.301 3.997 8.904 332 HB3 TYR 94 HB3 TYR 94 5.368 2.354 9.534 333 HD1 TYR 94 HD1 TYR 94 7.607 1.406 10.177 334 HD2 TYR 94 HD2 TYR 94 7.010 5.541 9.433 335 HE1 TYR 94 HE1 TYR 94 9.676 1.916 11.414 336 HE2 TYR 94 HE2 TYR 94 9.075 6.073 10.663 337 HH TYR 94 HH TYR 94 10.552 5.155 12.263 338 H ASN 95 H ASN 95 4.533 0.667 7.803 339 HA ASN 95 HA ASN 95 6.172 -1.429 8.648 340 HB2 ASN 95 HB2 ASN 95 3.701 -1.422 8.829 341 HB3 ASN 95 HB3 ASN 95 3.588 -1.605 7.083 342 HD21 ASN 95 HD21 ASN 95 2.471 -3.524 7.255 343 HD22 ASN 95 HD22 ASN 95 3.230 -4.998 7.738 344 H PHE 96 H PHE 96 5.084 -0.583 5.360 345 HA PHE 96 HA PHE 96 6.600 -2.670 4.142 346 HB2 PHE 96 HB2 PHE 96 4.759 -1.842 2.904 347 HB3 PHE 96 HB3 PHE 96 5.315 -0.175 3.022 348 HD1 PHE 96 HD1 PHE 96 6.566 -3.480 1.809 349 HD2 PHE 96 HD2 PHE 96 6.298 0.716 1.148 350 HE1 PHE 96 HE1 PHE 96 7.774 -3.742 -0.317 351 HE2 PHE 96 HE2 PHE 96 7.506 0.460 -0.978 352 HZ PHE 96 HZ PHE 96 8.245 -1.770 -1.711 353 H LEU 97 H LEU 97 7.223 0.701 4.905 354 HA LEU 97 HA LEU 97 9.627 0.984 3.484 355 HB2 LEU 97 HB2 LEU 97 8.053 2.567 5.126 356 HB3 LEU 97 HB3 LEU 97 9.577 2.463 5.982 357 HG LEU 97 HG LEU 97 10.738 3.257 3.939 358 HD11 LEU 97 HD11 LEU 97 7.951 3.748 2.901 359 HD12 LEU 97 HD12 LEU 97 8.988 2.424 2.382 360 HD13 LEU 97 HD13 LEU 97 9.473 4.093 2.079 361 HD21 LEU 97 HD21 LEU 97 9.708 4.731 5.818 362 HD22 LEU 97 HD22 LEU 97 8.578 5.218 4.552 363 HD23 LEU 97 HD23 LEU 97 10.306 5.481 4.338 364 H GLN 98 H GLN 98 8.992 -0.211 6.777 365 HA GLN 98 HA GLN 98 11.789 -0.654 7.292 366 HB2 GLN 98 HB2 GLN 98 11.025 -1.861 9.312 367 HB3 GLN 98 HB3 GLN 98 10.332 -0.250 9.181 368 HG2 GLN 98 HG2 GLN 98 8.241 -1.109 8.505 369 HG3 GLN 98 HG3 GLN 98 8.906 -2.724 8.279 370 HE21 GLN 98 HE21 GLN 98 7.374 -3.613 9.646 371 HE22 GLN 98 HE22 GLN 98 7.455 -3.432 11.366 372 H LYS 99 H LYS 99 9.160 -2.471 5.961 373 HA LYS 99 HA LYS 99 10.198 -5.077 6.249 374 HB2 LYS 99 HB2 LYS 99 7.842 -4.619 5.780 375 HB3 LYS 99 HB3 LYS 99 8.262 -3.934 4.224 376 HG2 LYS 99 HG2 LYS 99 8.960 -6.775 4.823 377 HG3 LYS 99 HG3 LYS 99 7.309 -6.344 4.384 378 HD2 LYS 99 HD2 LYS 99 8.435 -5.109 2.394 379 HD3 LYS 99 HD3 LYS 99 9.812 -6.143 2.762 380 HE2 LYS 99 HE2 LYS 99 7.019 -7.113 2.170 381 HE3 LYS 99 HE3 LYS 99 8.355 -7.103 1.022 382 HZ1 LYS 99 HZ1 LYS 99 8.147 -8.695 3.523 383 HZ2 LYS 99 HZ2 LYS 99 9.563 -8.581 2.597 384 HZ3 LYS 99 HZ3 LYS 99 8.172 -9.278 1.928 385 H ASN 100 H ASN 100 10.454 -2.697 3.619 386 HA ASN 100 HA ASN 100 12.282 -4.525 2.231 387 HB2 ASN 100 HB2 ASN 100 10.279 -3.099 1.159 388 HB3 ASN 100 HB3 ASN 100 11.561 -1.901 1.029 389 HD21 ASN 100 HD21 ASN 100 13.425 -2.407 -0.208 390 HD22 ASN 100 HD22 ASN 100 13.364 -3.601 -1.458 391 H ASP 101 H ASP 101 12.391 -2.201 4.471 392 HA ASP 101 HA ASP 101 13.877 -0.729 5.309 393 HB2 ASP 101 HB2 ASP 101 15.365 -2.746 5.175 394 HB3 ASP 101 HB3 ASP 101 15.955 -2.132 3.634 395 H LEU 102 H LEU 102 12.543 0.657 3.804 396 HA LEU 102 HA LEU 102 14.148 1.868 1.676 397 HB2 LEU 102 HB2 LEU 102 11.266 2.257 2.484 398 HB3 LEU 102 HB3 LEU 102 12.047 3.155 1.214 399 HG LEU 102 HG LEU 102 11.263 1.638 -0.184 400 HD11 LEU 102 HD11 LEU 102 12.432 -0.454 -0.448 401 HD12 LEU 102 HD12 LEU 102 13.109 -0.292 1.173 402 HD13 LEU 102 HD13 LEU 102 13.564 0.854 -0.090 403 HD21 LEU 102 HD21 LEU 102 9.523 0.879 1.093 404 HD22 LEU 102 HD22 LEU 102 10.580 0.164 2.299 405 HD23 LEU 102 HD23 LEU 102 10.387 -0.615 0.730 406 H ASN 103 H ASN 103 13.754 4.340 1.573 407 HA ASN 103 HA ASN 103 14.760 5.472 4.038 408 HB2 ASN 103 HB2 ASN 103 15.517 6.014 1.613 409 HB3 ASN 103 HB3 ASN 103 14.062 6.993 1.540 410 HD21 ASN 103 HD21 ASN 103 17.207 6.653 2.950 411 HD22 ASN 103 HD22 ASN 103 17.300 8.251 3.622 412 HA PRO 104 HA PRO 104 10.857 6.866 5.632 413 HB2 PRO 104 HB2 PRO 104 12.393 9.234 6.559 414 HB3 PRO 104 HB3 PRO 104 11.404 8.100 7.484 415 HG2 PRO 104 HG2 PRO 104 14.058 8.001 7.633 416 HG3 PRO 104 HG3 PRO 104 13.097 6.510 7.596 417 HD2 PRO 104 HD2 PRO 104 14.653 7.813 5.394 418 HD3 PRO 104 HD3 PRO 104 14.516 6.092 5.803 419 H MET 105 H MET 105 12.820 8.702 3.495 420 HA MET 105 HA MET 105 11.158 10.913 2.977 421 HB2 MET 105 HB2 MET 105 13.508 10.710 2.259 422 HB3 MET 105 HB3 MET 105 13.043 9.464 1.119 423 HG2 MET 105 HG2 MET 105 11.634 11.091 -0.060 424 HG3 MET 105 HG3 MET 105 12.176 12.343 1.057 425 HE1 MET 105 HE1 MET 105 12.892 13.815 -1.059 426 HE2 MET 105 HE2 MET 105 12.364 12.519 -2.133 427 HE3 MET 105 HE3 MET 105 13.967 13.230 -2.331 428 H PHE 106 H PHE 106 10.723 7.615 2.323 429 HA PHE 106 HA PHE 106 9.020 8.062 -0.008 430 HB2 PHE 106 HB2 PHE 106 9.974 5.562 1.381 431 HB3 PHE 106 HB3 PHE 106 8.830 5.537 0.048 432 HD1 PHE 106 HD1 PHE 106 9.670 6.959 -2.064 433 HD2 PHE 106 HD2 PHE 106 12.192 5.200 0.892 434 HE1 PHE 106 HE1 PHE 106 11.544 6.965 -3.658 435 HE2 PHE 106 HE2 PHE 106 14.063 5.209 -0.704 436 HZ PHE 106 HZ PHE 106 13.743 6.090 -2.981 437 H LEU 107 H LEU 107 8.764 7.780 3.359 438 HA LEU 107 HA LEU 107 6.511 6.175 3.706 439 HB2 LEU 107 HB2 LEU 107 7.966 6.638 5.519 440 HB3 LEU 107 HB3 LEU 107 7.723 8.364 5.383 441 HG LEU 107 HG LEU 107 5.446 8.125 6.247 442 HD11 LEU 107 HD11 LEU 107 6.074 5.207 6.608 443 HD12 LEU 107 HD12 LEU 107 5.108 5.840 5.284 444 HD13 LEU 107 HD13 LEU 107 4.553 6.035 6.944 445 HD21 LEU 107 HD21 LEU 107 7.452 8.308 7.762 446 HD22 LEU 107 HD22 LEU 107 7.334 6.554 7.977 447 HD23 LEU 107 HD23 LEU 107 6.009 7.601 8.491 448 H ASP 108 H ASP 108 6.668 9.699 3.200 449 HA ASP 108 HA ASP 108 3.934 10.137 3.787 450 HB2 ASP 108 HB2 ASP 108 5.538 11.985 3.796 451 HB3 ASP 108 HB3 ASP 108 5.795 11.791 2.064 452 H GLN 109 H GLN 109 5.629 9.823 0.677 453 HA GLN 109 HA GLN 109 3.514 10.142 -1.050 454 HB2 GLN 109 HB2 GLN 109 5.585 10.053 -2.068 455 HB3 GLN 109 HB3 GLN 109 6.099 8.645 -1.153 456 HG2 GLN 109 HG2 GLN 109 4.718 7.217 -2.499 457 HG3 GLN 109 HG3 GLN 109 4.065 8.604 -3.369 458 HE21 GLN 109 HE21 GLN 109 5.575 6.231 -4.325 459 HE22 GLN 109 HE22 GLN 109 6.914 6.888 -5.201 460 H VAL 110 H VAL 110 4.665 7.053 0.320 461 HA VAL 110 HA VAL 110 2.630 5.504 -0.873 462 HB VAL 110 HB VAL 110 3.242 3.909 1.142 463 HG11 VAL 110 HG11 VAL 110 4.742 2.874 -0.246 464 HG12 VAL 110 HG12 VAL 110 5.477 4.390 -0.730 465 HG13 VAL 110 HG13 VAL 110 3.910 3.931 -1.389 466 HG21 VAL 110 HG21 VAL 110 5.282 4.265 2.187 467 HG22 VAL 110 HG22 VAL 110 4.487 5.837 2.248 468 HG23 VAL 110 HG23 VAL 110 5.740 5.536 1.052 469 H ALA 111 H ALA 111 2.897 6.969 2.351 470 HA ALA 111 HA ALA 111 0.545 5.840 3.422 471 HB1 ALA 111 HB1 ALA 111 1.828 8.455 4.178 472 HB2 ALA 111 HB2 ALA 111 2.335 6.868 4.763 473 HB3 ALA 111 HB3 ALA 111 0.733 7.490 5.165 474 H LYS 112 H LYS 112 1.091 8.888 1.696 475 HA LYS 112 HA LYS 112 -1.497 9.927 2.054 476 HB2 LYS 112 HB2 LYS 112 0.583 10.408 -0.076 477 HB3 LYS 112 HB3 LYS 112 -0.923 11.315 0.025 478 HG2 LYS 112 HG2 LYS 112 1.049 11.140 2.283 479 HG3 LYS 112 HG3 LYS 112 1.082 12.414 1.061 480 HD2 LYS 112 HD2 LYS 112 -1.227 11.790 2.901 481 HD3 LYS 112 HD3 LYS 112 -0.079 13.112 3.115 482 HE2 LYS 112 HE2 LYS 112 -0.779 13.971 0.878 483 HE3 LYS 112 HE3 LYS 112 -2.040 12.739 0.860 484 HZ1 LYS 112 HZ1 LYS 112 -2.923 13.722 2.922 485 HZ2 LYS 112 HZ2 LYS 112 -2.936 14.814 1.629 486 HZ3 LYS 112 HZ3 LYS 112 -1.750 14.946 2.834 487 H PHE 113 H PHE 113 -0.136 7.820 -0.447 488 HA PHE 113 HA PHE 113 -2.478 7.718 -2.052 489 HB2 PHE 113 HB2 PHE 113 -0.065 6.932 -2.613 490 HB3 PHE 113 HB3 PHE 113 -0.532 5.436 -1.811 491 HD1 PHE 113 HD1 PHE 113 -2.519 4.167 -2.682 492 HD2 PHE 113 HD2 PHE 113 -0.721 7.368 -4.828 493 HE1 PHE 113 HE1 PHE 113 -3.592 3.376 -4.751 494 HE2 PHE 113 HE2 PHE 113 -1.794 6.586 -6.900 495 HZ PHE 113 HZ PHE 113 -3.234 4.589 -6.863 496 H ILE 114 H ILE 114 -1.224 5.682 0.555 497 HA ILE 114 HA ILE 114 -3.173 3.768 0.798 498 HB ILE 114 HB ILE 114 -1.594 5.247 2.866 499 HG12 ILE 114 HG12 ILE 114 -1.371 2.345 2.176 500 HG13 ILE 114 HG13 ILE 114 -0.615 3.562 1.148 501 HG21 ILE 114 HG21 ILE 114 -3.928 3.718 3.342 502 HG22 ILE 114 HG22 ILE 114 -2.822 4.448 4.506 503 HG23 ILE 114 HG23 ILE 114 -2.537 2.809 3.933 504 HD11 ILE 114 HD11 ILE 114 0.733 2.456 3.056 505 HD12 ILE 114 HD12 ILE 114 -0.143 3.603 4.078 506 HD13 ILE 114 HD13 ILE 114 0.869 4.187 2.764 507 H ILE 115 H ILE 115 -3.144 7.011 2.224 508 HA ILE 115 HA ILE 115 -5.554 6.952 3.563 509 HB ILE 115 HB ILE 115 -4.085 9.225 2.265 510 HG12 ILE 115 HG12 ILE 115 -4.620 8.702 5.170 511 HG13 ILE 115 HG13 ILE 115 -3.276 7.930 4.340 512 HG21 ILE 115 HG21 ILE 115 -6.359 9.932 2.228 513 HG22 ILE 115 HG22 ILE 115 -5.616 10.686 3.632 514 HG23 ILE 115 HG23 ILE 115 -6.655 9.286 3.837 515 HD11 ILE 115 HD11 ILE 115 -3.435 10.836 4.001 516 HD12 ILE 115 HD12 ILE 115 -2.053 9.789 4.345 517 HD13 ILE 115 HD13 ILE 115 -3.132 10.281 5.648 518 H ASP 116 H ASP 116 -4.988 8.063 0.196 519 HA ASP 116 HA ASP 116 -7.704 8.836 -0.081 520 HB2 ASP 116 HB2 ASP 116 -5.751 9.735 -1.437 521 HB3 ASP 116 HB3 ASP 116 -5.900 8.274 -2.416 522 H ASN 117 H ASN 117 -6.114 5.813 -0.476 523 HA ASN 117 HA ASN 117 -7.967 4.473 -2.082 524 HB2 ASN 117 HB2 ASN 117 -5.864 3.439 -1.336 525 HB3 ASN 117 HB3 ASN 117 -6.447 3.425 0.323 526 HD21 ASN 117 HD21 ASN 117 -8.026 1.935 0.926 527 HD22 ASN 117 HD22 ASN 117 -8.415 0.567 -0.052 528 H THR 118 H THR 118 -8.066 5.443 1.286 529 HA THR 118 HA THR 118 -10.849 4.497 1.462 530 HB THR 118 HB THR 118 -10.373 4.734 4.008 531 HG1 THR 118 HG1 THR 118 -7.852 3.963 3.878 532 HG21 THR 118 HG21 THR 118 -9.110 2.529 2.376 533 HG22 THR 118 HG22 THR 118 -10.796 2.605 2.886 534 HG23 THR 118 HG23 THR 118 -9.517 2.431 4.090 535 H LYS 119 H LYS 119 -9.427 7.092 0.570 536 HA LYS 119 HA LYS 119 -11.148 8.940 2.081 537 HB2 LYS 119 HB2 LYS 119 -8.593 9.272 2.253 538 HB3 LYS 119 HB3 LYS 119 -8.647 9.709 0.551 539 HG2 LYS 119 HG2 LYS 119 -10.599 11.197 2.040 540 HG3 LYS 119 HG3 LYS 119 -8.993 11.383 2.746 541 HD2 LYS 119 HD2 LYS 119 -9.645 11.799 -0.172 542 HD3 LYS 119 HD3 LYS 119 -9.524 13.092 1.019 543 HE2 LYS 119 HE2 LYS 119 -7.287 11.168 0.410 544 HE3 LYS 119 HE3 LYS 119 -7.475 12.728 -0.389 545 HZ1 LYS 119 HZ1 LYS 119 -7.326 13.803 1.784 546 HZ2 LYS 119 HZ2 LYS 119 -5.935 12.898 1.444 547 HZ3 LYS 119 HZ3 LYS 119 -7.094 12.297 2.529 548 H GLY 120 H GLY 120 -11.241 11.056 0.309 549 HA2 GLY 120 HA2 GLY 120 -12.146 9.826 -2.203 550 HA3 GLY 120 HA3 GLY 120 -13.229 10.862 -1.290 551 H GLN 121 H GLN 121 -9.843 11.028 -2.479 552 HA GLN 121 HA GLN 121 -10.487 13.689 -3.523 553 HB2 GLN 121 HB2 GLN 121 -8.437 13.112 -1.964 554 HB3 GLN 121 HB3 GLN 121 -7.712 12.577 -3.472 555 HG2 GLN 121 HG2 GLN 121 -8.898 15.295 -3.113 556 HG3 GLN 121 HG3 GLN 121 -7.214 14.938 -2.748 557 HE21 GLN 121 HE21 GLN 121 -9.556 15.459 -5.236 558 HE22 GLN 121 HE22 GLN 121 -8.452 15.445 -6.567 559 H MET 122 H MET 122 -8.514 10.837 -4.496 560 HA MET 122 HA MET 122 -9.243 11.506 -7.279 561 HB2 MET 122 HB2 MET 122 -7.104 10.744 -8.026 562 HB3 MET 122 HB3 MET 122 -6.833 11.847 -6.689 563 HG2 MET 122 HG2 MET 122 -6.521 9.917 -5.194 564 HG3 MET 122 HG3 MET 122 -6.715 8.843 -6.577 565 HE1 MET 122 HE1 MET 122 -4.870 12.297 -6.224 566 HE2 MET 122 HE2 MET 122 -3.204 11.772 -5.982 567 HE3 MET 122 HE3 MET 122 -4.422 11.433 -4.752 568 H LEU 123 H LEU 123 -8.860 8.918 -4.935 569 HA LEU 123 HA LEU 123 -9.608 6.931 -6.945 570 HB2 LEU 123 HB2 LEU 123 -8.813 6.602 -4.054 571 HB3 LEU 123 HB3 LEU 123 -9.174 5.286 -5.153 572 HG LEU 123 HG LEU 123 -6.903 7.246 -5.493 573 HD11 LEU 123 HD11 LEU 123 -5.489 5.309 -4.916 574 HD12 LEU 123 HD12 LEU 123 -6.946 4.404 -4.506 575 HD13 LEU 123 HD13 LEU 123 -6.511 5.841 -3.584 576 HD21 LEU 123 HD21 LEU 123 -6.147 5.731 -7.238 577 HD22 LEU 123 HD22 LEU 123 -7.758 6.349 -7.609 578 HD23 LEU 123 HD23 LEU 123 -7.563 4.711 -6.985 579 H GLY 124 H GLY 124 -10.606 7.352 -3.543 580 HA2 GLY 124 HA2 GLY 124 -13.200 6.219 -4.270 581 HA3 GLY 124 HA3 GLY 124 -12.567 6.410 -2.644 582 H LEU 125 H LEU 125 -12.857 8.852 -5.203 583 HA LEU 125 HA LEU 125 -14.264 10.549 -3.337 584 HB2 LEU 125 HB2 LEU 125 -13.938 12.334 -4.846 585 HB3 LEU 125 HB3 LEU 125 -12.437 11.446 -4.746 586 HG LEU 125 HG LEU 125 -12.573 11.999 -6.979 587 HD11 LEU 125 HD11 LEU 125 -13.015 10.014 -8.284 588 HD12 LEU 125 HD12 LEU 125 -13.872 9.294 -6.923 589 HD13 LEU 125 HD13 LEU 125 -12.144 9.622 -6.804 590 HD21 LEU 125 HD21 LEU 125 -14.722 12.978 -7.068 591 HD22 LEU 125 HD22 LEU 125 -15.506 11.417 -6.829 592 HD23 LEU 125 HD23 LEU 125 -14.652 11.754 -8.339 593 H GLY 126 H GLY 126 -16.167 11.798 -4.092 594 HA2 GLY 126 HA2 GLY 126 -17.920 11.118 -6.070 595 HA3 GLY 126 HA3 GLY 126 -18.194 9.903 -4.827 596 H ASN 127 H ASN 127 -19.298 10.429 -3.002 597 HA ASN 127 HA ASN 127 -20.715 12.945 -3.035 598 HB2 ASN 127 HB2 ASN 127 -21.951 12.088 -1.114 599 HB3 ASN 127 HB3 ASN 127 -21.893 10.875 -2.385 600 HD21 ASN 127 HD21 ASN 127 -20.992 11.688 0.844 601 HD22 ASN 127 HD22 ASN 127 -20.325 10.147 1.267 602 HA PRO 128 HA PRO 128 -17.715 14.872 -0.392 603 HB2 PRO 128 HB2 PRO 128 -18.846 17.322 -0.346 604 HB3 PRO 128 HB3 PRO 128 -17.986 16.703 -1.759 605 HG2 PRO 128 HG2 PRO 128 -20.915 16.919 -1.265 606 HG3 PRO 128 HG3 PRO 128 -20.008 17.149 -2.769 607 HD2 PRO 128 HD2 PRO 128 -21.414 14.856 -2.084 608 HD3 PRO 128 HD3 PRO 128 -20.124 14.942 -3.297
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