NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24586 | 2k3j | 15763 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 45 H GLY 45 0.497 15.827 -6.273 2 HA2 GLY 45 HA2 GLY 45 -2.240 14.881 -6.847 3 HA3 GLY 45 HA3 GLY 45 -0.740 14.098 -7.378 4 H LEU 46 H LEU 46 -0.857 12.137 -6.266 5 HA LEU 46 HA LEU 46 -1.875 11.984 -3.565 6 HB2 LEU 46 HB2 LEU 46 -1.718 9.657 -3.847 7 HB3 LEU 46 HB3 LEU 46 -2.389 10.319 -5.318 8 HG LEU 46 HG LEU 46 0.564 9.590 -5.083 9 HD11 LEU 46 HD11 LEU 46 0.013 7.388 -6.054 10 HD12 LEU 46 HD12 LEU 46 -1.718 7.752 -5.887 11 HD13 LEU 46 HD13 LEU 46 -0.689 7.599 -4.446 12 HD21 LEU 46 HD21 LEU 46 0.351 9.221 -7.548 13 HD22 LEU 46 HD22 LEU 46 0.074 10.893 -7.087 14 HD23 LEU 46 HD23 LEU 46 -1.308 9.840 -7.475 15 H ILE 47 H ILE 47 1.074 13.018 -4.285 16 HA ILE 47 HA ILE 47 2.546 11.569 -2.123 17 HB ILE 47 HB ILE 47 3.620 13.176 -4.477 18 HG12 ILE 47 HG12 ILE 47 2.773 11.194 -5.469 19 HG13 ILE 47 HG13 ILE 47 4.496 10.942 -5.286 20 HG21 ILE 47 HG21 ILE 47 5.103 11.502 -2.404 21 HG22 ILE 47 HG22 ILE 47 5.820 12.247 -3.839 22 HG23 ILE 47 HG23 ILE 47 5.145 13.267 -2.574 23 HD11 ILE 47 HD11 ILE 47 2.254 9.687 -3.644 24 HD12 ILE 47 HD12 ILE 47 3.456 8.888 -4.665 25 HD13 ILE 47 HD13 ILE 47 3.929 9.640 -3.126 26 H LEU 48 H LEU 48 3.334 12.728 -0.487 27 HA LEU 48 HA LEU 48 2.138 15.279 0.158 28 HB2 LEU 48 HB2 LEU 48 4.159 13.402 1.465 29 HB3 LEU 48 HB3 LEU 48 3.760 14.927 2.213 30 HG LEU 48 HG LEU 48 1.590 12.934 1.484 31 HD11 LEU 48 HD11 LEU 48 3.173 13.112 4.088 32 HD12 LEU 48 HD12 LEU 48 3.134 11.750 2.944 33 HD13 LEU 48 HD13 LEU 48 1.683 12.172 3.854 34 HD21 LEU 48 HD21 LEU 48 1.714 15.169 3.575 35 HD22 LEU 48 HD22 LEU 48 0.317 14.128 3.229 36 HD23 LEU 48 HD23 LEU 48 0.879 15.277 2.012 37 HA PRO 49 HA PRO 49 5.468 18.034 -1.046 38 HB2 PRO 49 HB2 PRO 49 5.534 19.855 1.018 39 HB3 PRO 49 HB3 PRO 49 4.226 19.782 -0.209 40 HG2 PRO 49 HG2 PRO 49 4.240 18.532 2.560 41 HG3 PRO 49 HG3 PRO 49 2.955 19.547 1.818 42 HD2 PRO 49 HD2 PRO 49 2.765 16.883 1.796 43 HD3 PRO 49 HD3 PRO 49 2.292 17.827 0.363 44 H ASN 50 H ASN 50 5.683 16.052 1.798 45 HA ASN 50 HA ASN 50 8.607 16.520 2.013 46 HB2 ASN 50 HB2 ASN 50 8.548 15.497 4.120 47 HB3 ASN 50 HB3 ASN 50 7.197 16.600 4.075 48 HD21 ASN 50 HD21 ASN 50 8.118 13.156 3.946 49 HD22 ASN 50 HD22 ASN 50 6.559 12.587 4.546 50 H GLY 51 H GLY 51 6.907 14.779 -0.089 51 HA2 GLY 51 HA2 GLY 51 7.678 13.177 -1.557 52 HA3 GLY 51 HA3 GLY 51 9.080 12.878 -0.486 53 H ASN 52 H ASN 52 6.509 12.388 1.516 54 HA ASN 52 HA ASN 52 6.448 9.492 1.054 55 HB2 ASN 52 HB2 ASN 52 6.921 10.380 3.322 56 HB3 ASN 52 HB3 ASN 52 5.296 11.144 3.306 57 HD21 ASN 52 HD21 ASN 52 4.639 9.897 5.194 58 HD22 ASN 52 HD22 ASN 52 4.326 8.176 5.049 59 H ILE 53 H ILE 53 3.986 8.585 1.713 60 HA ILE 53 HA ILE 53 2.328 9.681 -0.501 61 HB ILE 53 HB ILE 53 2.181 7.051 0.965 62 HG12 ILE 53 HG12 ILE 53 3.176 7.777 -1.826 63 HG13 ILE 53 HG13 ILE 53 4.207 7.354 -0.464 64 HG21 ILE 53 HG21 ILE 53 0.638 8.105 -1.461 65 HG22 ILE 53 HG22 ILE 53 0.565 6.432 -0.872 66 HG23 ILE 53 HG23 ILE 53 -0.055 7.720 0.138 67 HD11 ILE 53 HD11 ILE 53 4.053 5.470 -1.905 68 HD12 ILE 53 HD12 ILE 53 3.183 5.098 -0.409 69 HD13 ILE 53 HD13 ILE 53 2.282 5.503 -1.902 70 H ASN 54 H ASN 54 0.282 10.371 -0.346 71 HA ASN 54 HA ASN 54 -0.264 11.816 2.068 72 HB2 ASN 54 HB2 ASN 54 -0.355 12.578 -0.380 73 HB3 ASN 54 HB3 ASN 54 -1.918 11.772 -0.483 74 HD21 ASN 54 HD21 ASN 54 -3.447 12.537 1.569 75 HD22 ASN 54 HD22 ASN 54 -3.361 14.281 1.826 76 H TRP 55 H TRP 55 -0.624 9.698 3.281 77 HA TRP 55 HA TRP 55 -3.002 8.216 3.134 78 HB2 TRP 55 HB2 TRP 55 -1.258 8.705 5.563 79 HB3 TRP 55 HB3 TRP 55 -2.323 7.336 5.299 80 HD1 TRP 55 HD1 TRP 55 1.058 7.791 5.597 81 HE1 TRP 55 HE1 TRP 55 2.503 6.214 4.199 82 HE3 TRP 55 HE3 TRP 55 -2.466 6.261 2.192 83 HZ2 TRP 55 HZ2 TRP 55 2.167 4.449 1.926 84 HZ3 TRP 55 HZ3 TRP 55 -1.879 4.622 0.448 85 HH2 TRP 55 HH2 TRP 55 0.417 3.703 0.302 86 H ASN 56 H ASN 56 -4.310 10.450 2.853 87 HA ASN 56 HA ASN 56 -6.159 10.257 5.069 88 HB2 ASN 56 HB2 ASN 56 -4.364 12.148 5.634 89 HB3 ASN 56 HB3 ASN 56 -5.367 13.128 4.569 90 HD21 ASN 56 HD21 ASN 56 -5.727 10.773 7.326 91 HD22 ASN 56 HD22 ASN 56 -6.976 11.739 8.123 92 H CYS 57 H CYS 57 -5.486 11.309 1.792 93 HA CYS 57 HA CYS 57 -8.075 12.282 1.085 94 HB2 CYS 57 HB2 CYS 57 -6.107 10.618 -0.568 95 HB3 CYS 57 HB3 CYS 57 -7.420 11.604 -1.223 96 HG CYS 57 HG CYS 57 -6.496 13.945 -0.345 97 HA PRO 58 HA PRO 58 -10.720 9.047 2.021 98 HB2 PRO 58 HB2 PRO 58 -12.447 8.782 -0.196 99 HB3 PRO 58 HB3 PRO 58 -12.575 9.939 1.157 100 HG2 PRO 58 HG2 PRO 58 -11.322 10.364 -1.557 101 HG3 PRO 58 HG3 PRO 58 -12.381 11.475 -0.632 102 HD2 PRO 58 HD2 PRO 58 -9.717 11.840 -0.657 103 HD3 PRO 58 HD3 PRO 58 -10.616 12.024 0.879 104 H CYS 59 H CYS 59 -10.261 8.211 -1.513 105 HA CYS 59 HA CYS 59 -10.448 5.467 -0.956 106 HB2 CYS 59 HB2 CYS 59 -9.075 6.791 -3.354 107 HB3 CYS 59 HB3 CYS 59 -9.815 5.180 -3.298 108 HG CYS 59 HG CYS 59 -12.253 6.063 -2.682 109 H LEU 60 H LEU 60 -7.470 7.369 -1.412 110 HA LEU 60 HA LEU 60 -5.726 5.058 -1.312 111 HB2 LEU 60 HB2 LEU 60 -5.227 7.123 -2.604 112 HB3 LEU 60 HB3 LEU 60 -5.125 8.043 -1.096 113 HG LEU 60 HG LEU 60 -3.151 6.695 -0.402 114 HD11 LEU 60 HD11 LEU 60 -3.408 5.398 -3.160 115 HD12 LEU 60 HD12 LEU 60 -3.582 4.568 -1.600 116 HD13 LEU 60 HD13 LEU 60 -2.015 5.232 -2.072 117 HD21 LEU 60 HD21 LEU 60 -1.602 7.635 -2.102 118 HD22 LEU 60 HD22 LEU 60 -2.850 8.801 -1.624 119 HD23 LEU 60 HD23 LEU 60 -2.986 7.929 -3.173 120 H GLY 61 H GLY 61 -6.660 7.536 1.087 121 HA2 GLY 61 HA2 GLY 61 -5.012 6.456 3.244 122 HA3 GLY 61 HA3 GLY 61 -6.361 7.613 3.380 123 H GLY 62 H GLY 62 -8.368 5.953 2.065 124 HA2 GLY 62 HA2 GLY 62 -9.327 4.413 4.238 125 HA3 GLY 62 HA3 GLY 62 -9.937 4.370 2.568 126 H MET 63 H MET 63 -7.801 3.286 1.163 127 HA MET 63 HA MET 63 -7.718 0.509 2.034 128 HB2 MET 63 HB2 MET 63 -6.260 2.022 -0.164 129 HB3 MET 63 HB3 MET 63 -6.087 0.277 0.117 130 HG2 MET 63 HG2 MET 63 -8.527 -0.019 -0.105 131 HG3 MET 63 HG3 MET 63 -8.725 1.694 -0.451 132 HE1 MET 63 HE1 MET 63 -7.329 2.137 -4.002 133 HE2 MET 63 HE2 MET 63 -8.236 2.843 -2.646 134 HE3 MET 63 HE3 MET 63 -6.502 2.501 -2.473 135 H ALA 64 H ALA 64 -5.570 3.202 2.693 136 HA ALA 64 HA ALA 64 -3.511 1.507 3.924 137 HB1 ALA 64 HB1 ALA 64 -2.897 3.611 2.864 138 HB2 ALA 64 HB2 ALA 64 -4.045 4.503 3.882 139 HB3 ALA 64 HB3 ALA 64 -2.639 3.757 4.620 140 H SER 65 H SER 65 -6.629 2.349 4.888 141 HA SER 65 HA SER 65 -5.994 2.565 7.785 142 HB2 SER 65 HB2 SER 65 -7.419 4.266 6.646 143 HB3 SER 65 HB3 SER 65 -8.624 3.007 6.336 144 HG SER 65 HG SER 65 -8.839 4.368 8.287 145 H GLY 66 H GLY 66 -5.799 0.655 8.726 146 HA2 GLY 66 HA2 GLY 66 -7.425 -1.205 9.592 147 HA3 GLY 66 HA3 GLY 66 -7.403 -1.722 7.903 148 HA PRO 67 HA PRO 67 -3.778 -3.485 10.469 149 HB2 PRO 67 HB2 PRO 67 -4.372 -6.177 10.339 150 HB3 PRO 67 HB3 PRO 67 -4.966 -5.070 11.620 151 HG2 PRO 67 HG2 PRO 67 -6.398 -5.964 9.116 152 HG3 PRO 67 HG3 PRO 67 -7.037 -5.906 10.789 153 HD2 PRO 67 HD2 PRO 67 -7.555 -3.906 9.004 154 HD3 PRO 67 HD3 PRO 67 -7.242 -3.546 10.723 155 H CYS 68 H CYS 68 -5.193 -5.328 7.622 156 HA CYS 68 HA CYS 68 -2.680 -5.762 6.356 157 HB2 CYS 68 HB2 CYS 68 -5.392 -5.349 5.033 158 HB3 CYS 68 HB3 CYS 68 -3.983 -6.128 4.327 159 H GLY 69 H GLY 69 -4.324 -2.777 6.791 160 HA2 GLY 69 HA2 GLY 69 -3.547 -1.229 4.545 161 HA3 GLY 69 HA3 GLY 69 -3.883 -0.623 6.170 162 H GLU 70 H GLU 70 -1.628 -2.235 7.419 163 HA GLU 70 HA GLU 70 0.546 -0.396 6.863 164 HB2 GLU 70 HB2 GLU 70 1.773 -1.469 8.474 165 HB3 GLU 70 HB3 GLU 70 0.115 -1.677 9.030 166 HG2 GLU 70 HG2 GLU 70 0.167 -4.037 8.161 167 HG3 GLU 70 HG3 GLU 70 1.832 -3.769 7.614 168 H GLN 71 H GLN 71 -0.326 -3.504 5.466 169 HA GLN 71 HA GLN 71 2.284 -3.955 4.179 170 HB2 GLN 71 HB2 GLN 71 -0.374 -5.355 3.659 171 HB3 GLN 71 HB3 GLN 71 1.230 -5.910 3.232 172 HG2 GLN 71 HG2 GLN 71 0.059 -5.675 6.046 173 HG3 GLN 71 HG3 GLN 71 0.368 -7.161 5.155 174 HE21 GLN 71 HE21 GLN 71 1.475 -6.421 7.862 175 HE22 GLN 71 HE22 GLN 71 3.198 -6.436 7.596 176 H PHE 72 H PHE 72 -1.046 -2.907 3.296 177 HA PHE 72 HA PHE 72 -0.582 -2.233 0.591 178 HB2 PHE 72 HB2 PHE 72 -2.791 -2.268 1.728 179 HB3 PHE 72 HB3 PHE 72 -2.331 -0.850 2.660 180 HD1 PHE 72 HD1 PHE 72 -3.189 -2.092 -0.729 181 HD2 PHE 72 HD2 PHE 72 -2.395 1.377 1.706 182 HE1 PHE 72 HE1 PHE 72 -4.037 -0.626 -2.539 183 HE2 PHE 72 HE2 PHE 72 -3.276 2.835 -0.090 184 HZ PHE 72 HZ PHE 72 -4.073 1.843 -2.231 185 H LYS 73 H LYS 73 -0.088 -0.179 3.514 186 HA LYS 73 HA LYS 73 1.028 2.054 2.112 187 HB2 LYS 73 HB2 LYS 73 1.322 1.095 5.000 188 HB3 LYS 73 HB3 LYS 73 2.101 2.551 4.380 189 HG2 LYS 73 HG2 LYS 73 -0.207 3.321 3.591 190 HG3 LYS 73 HG3 LYS 73 -0.893 2.050 4.547 191 HD2 LYS 73 HD2 LYS 73 0.967 4.188 5.685 192 HD3 LYS 73 HD3 LYS 73 -0.776 4.368 5.595 193 HE2 LYS 73 HE2 LYS 73 -0.921 3.465 7.599 194 HE3 LYS 73 HE3 LYS 73 -0.595 1.908 6.832 195 HZ1 LYS 73 HZ1 LYS 73 1.764 2.174 7.354 196 HZ2 LYS 73 HZ2 LYS 73 0.907 2.546 8.756 197 HZ3 LYS 73 HZ3 LYS 73 1.522 3.708 7.820 198 H SER 74 H SER 74 2.702 -0.760 3.573 199 HA SER 74 HA SER 74 5.393 0.010 2.896 200 HB2 SER 74 HB2 SER 74 4.616 -1.687 4.581 201 HB3 SER 74 HB3 SER 74 4.157 -2.754 3.248 202 HG SER 74 HG SER 74 6.249 -3.161 4.190 203 H ALA 75 H ALA 75 2.968 -1.899 1.048 204 HA ALA 75 HA ALA 75 4.665 -2.609 -1.143 205 HB1 ALA 75 HB1 ALA 75 2.480 -3.113 -2.221 206 HB2 ALA 75 HB2 ALA 75 2.476 -3.676 -0.555 207 HB3 ALA 75 HB3 ALA 75 1.633 -2.180 -0.981 208 H PHE 76 H PHE 76 2.454 0.160 -0.668 209 HA PHE 76 HA PHE 76 2.988 1.341 -3.232 210 HB2 PHE 76 HB2 PHE 76 1.196 1.759 -1.013 211 HB3 PHE 76 HB3 PHE 76 2.007 3.258 -1.321 212 HD1 PHE 76 HD2 PHE 76 2.087 4.074 -3.839 213 HD2 PHE 76 HD1 PHE 76 -0.688 1.157 -2.287 214 HE1 PHE 76 HE2 PHE 76 0.516 4.575 -5.703 215 HE2 PHE 76 HE1 PHE 76 -2.237 1.635 -4.168 216 HZ PHE 76 HZ PHE 76 -1.641 3.355 -5.867 217 H SER 77 H SER 77 4.371 2.007 0.084 218 HA SER 77 HA SER 77 5.934 4.262 -0.886 219 HB2 SER 77 HB2 SER 77 7.116 4.144 1.212 220 HB3 SER 77 HB3 SER 77 5.383 4.046 1.469 221 HG SER 77 HG SER 77 6.554 2.574 2.755 222 H CYS 78 H CYS 78 6.745 0.777 -0.453 223 HA CYS 78 HA CYS 78 9.434 0.914 -1.393 224 HB2 CYS 78 HB2 CYS 78 8.363 -1.032 -0.321 225 HB3 CYS 78 HB3 CYS 78 7.328 -1.261 -1.729 226 H PHE 79 H PHE 79 6.406 0.409 -3.296 227 HA PHE 79 HA PHE 79 7.738 0.372 -5.815 228 HB2 PHE 79 HB2 PHE 79 5.524 -0.549 -5.604 229 HB3 PHE 79 HB3 PHE 79 4.876 0.976 -5.011 230 HD1 PHE 79 HD1 PHE 79 6.874 -0.190 -8.013 231 HD2 PHE 79 HD2 PHE 79 3.649 2.268 -6.532 232 HE1 PHE 79 HE1 PHE 79 6.428 0.625 -10.312 233 HE2 PHE 79 HE2 PHE 79 3.229 3.093 -8.829 234 HZ PHE 79 HZ PHE 79 4.615 2.254 -10.733 235 H HIS 80 H HIS 80 6.060 3.128 -4.184 236 HA HIS 80 HA HIS 80 6.507 5.059 -6.209 237 HB2 HIS 80 HB2 HIS 80 4.999 5.465 -4.332 238 HB3 HIS 80 HB3 HIS 80 6.317 5.323 -3.176 239 HD1 HIS 80 HD1 HIS 80 7.240 7.465 -6.148 240 HD2 HIS 80 HD2 HIS 80 5.731 7.820 -2.250 241 HE1 HIS 80 HE1 HIS 80 7.378 9.936 -5.537 242 H TYR 81 H TYR 81 8.665 4.299 -3.378 243 HA TYR 81 HA TYR 81 10.579 6.333 -4.155 244 HB2 TYR 81 HB2 TYR 81 10.592 4.069 -2.126 245 HB3 TYR 81 HB3 TYR 81 11.971 5.112 -2.392 246 HD1 TYR 81 HD2 TYR 81 8.320 6.183 -2.158 247 HD2 TYR 81 HD1 TYR 81 12.254 6.238 -0.396 248 HE1 TYR 81 HE2 TYR 81 7.531 7.786 -0.448 249 HE2 TYR 81 HE1 TYR 81 11.447 7.811 1.341 250 HH TYR 81 HH TYR 81 9.658 8.927 2.191 251 H SER 82 H SER 82 10.076 3.073 -5.132 252 HA SER 82 HA SER 82 12.789 2.594 -6.176 253 HB2 SER 82 HB2 SER 82 11.330 0.792 -5.325 254 HB3 SER 82 HB3 SER 82 10.162 1.107 -6.622 255 HG SER 82 HG SER 82 11.610 -0.651 -7.105 256 H THR 83 H THR 83 9.871 4.050 -7.402 257 HA THR 83 HA THR 83 9.176 4.963 -9.335 258 HB THR 83 HB THR 83 10.753 6.505 -10.425 259 HG1 THR 83 HG1 THR 83 12.835 6.501 -9.901 260 HG21 THR 83 HG21 THR 83 9.623 7.154 -8.318 261 HG22 THR 83 HG22 THR 83 11.218 7.899 -8.497 262 HG23 THR 83 HG23 THR 83 11.010 6.526 -7.395 263 H GLU 84 H GLU 84 10.824 2.262 -9.813 264 HA GLU 84 HA GLU 84 11.886 2.111 -12.235 265 HB2 GLU 84 HB2 GLU 84 10.516 0.152 -10.443 266 HB3 GLU 84 HB3 GLU 84 10.780 -0.415 -12.078 267 HG2 GLU 84 HG2 GLU 84 13.003 0.793 -10.381 268 HG3 GLU 84 HG3 GLU 84 12.627 -0.930 -10.439 269 H GLU 85 H GLU 85 8.348 1.637 -11.994 270 HA GLU 85 HA GLU 85 7.184 2.475 -14.157 271 HB2 GLU 85 HB2 GLU 85 8.828 0.172 -15.231 272 HB3 GLU 85 HB3 GLU 85 7.193 0.357 -15.785 273 HG2 GLU 85 HG2 GLU 85 7.538 2.622 -16.553 274 HG3 GLU 85 HG3 GLU 85 9.251 2.537 -16.116 275 H ILE 86 H ILE 86 7.493 -1.095 -13.719 276 HA ILE 86 HA ILE 86 4.610 -1.333 -13.723 277 HB ILE 86 HB ILE 86 6.749 -3.431 -13.227 278 HG12 ILE 86 HG12 ILE 86 5.167 -2.788 -15.756 279 HG13 ILE 86 HG13 ILE 86 6.856 -2.320 -15.474 280 HG21 ILE 86 HG21 ILE 86 4.575 -4.155 -12.281 281 HG22 ILE 86 HG22 ILE 86 3.787 -3.795 -13.830 282 HG23 ILE 86 HG23 ILE 86 4.981 -5.098 -13.700 283 HD11 ILE 86 HD11 ILE 86 5.821 -5.156 -15.785 284 HD12 ILE 86 HD12 ILE 86 6.880 -4.248 -16.859 285 HD13 ILE 86 HD13 ILE 86 7.473 -4.742 -15.264 286 H LYS 87 H LYS 87 3.245 -1.256 -12.158 287 HA LYS 87 HA LYS 87 3.531 -0.631 -9.512 288 HB2 LYS 87 HB2 LYS 87 1.495 -2.530 -10.732 289 HB3 LYS 87 HB3 LYS 87 1.315 -1.764 -9.171 290 HG2 LYS 87 HG2 LYS 87 1.618 -0.093 -11.697 291 HG3 LYS 87 HG3 LYS 87 0.081 -0.806 -11.241 292 HD2 LYS 87 HD2 LYS 87 0.082 0.427 -9.098 293 HD3 LYS 87 HD3 LYS 87 1.667 1.102 -9.493 294 HE2 LYS 87 HE2 LYS 87 0.134 2.831 -10.062 295 HE3 LYS 87 HE3 LYS 87 0.646 2.110 -11.581 296 HZ1 LYS 87 HZ1 LYS 87 -1.661 2.310 -11.779 297 HZ2 LYS 87 HZ2 LYS 87 -1.983 1.825 -10.253 298 HZ3 LYS 87 HZ3 LYS 87 -1.514 0.749 -11.380 299 H GLY 88 H GLY 88 5.085 -1.448 -8.271 300 HA2 GLY 88 HA2 GLY 88 5.798 -2.816 -6.521 301 HA3 GLY 88 HA3 GLY 88 4.652 -4.095 -7.073 302 H SER 89 H SER 89 6.794 -3.064 -9.605 303 HA SER 89 HA SER 89 7.606 -5.486 -10.330 304 HB2 SER 89 HB2 SER 89 8.128 -3.313 -11.483 305 HB3 SER 89 HB3 SER 89 9.534 -3.147 -10.431 306 HG SER 89 HG SER 89 10.226 -5.256 -11.290 307 H ASP 90 H ASP 90 9.751 -3.710 -7.970 308 HA ASP 90 HA ASP 90 11.143 -6.296 -7.476 309 HB2 ASP 90 HB2 ASP 90 13.072 -5.085 -6.922 310 HB3 ASP 90 HB3 ASP 90 12.494 -4.465 -8.455 311 H CYS 91 H CYS 91 8.670 -4.781 -6.276 312 HA CYS 91 HA CYS 91 9.319 -5.010 -3.358 313 HB2 CYS 91 HB2 CYS 91 7.176 -3.511 -4.892 314 HB3 CYS 91 HB3 CYS 91 7.270 -3.548 -3.137 315 H VAL 92 H VAL 92 8.114 -6.926 -5.615 316 HA VAL 92 HA VAL 92 5.613 -7.700 -5.399 317 HB VAL 92 HB VAL 92 7.944 -9.668 -5.499 318 HG11 VAL 92 HG11 VAL 92 6.409 -11.080 -6.893 319 HG12 VAL 92 HG12 VAL 92 5.854 -10.932 -5.234 320 HG13 VAL 92 HG13 VAL 92 5.066 -9.979 -6.511 321 HG21 VAL 92 HG21 VAL 92 8.196 -7.906 -7.186 322 HG22 VAL 92 HG22 VAL 92 7.729 -9.405 -7.976 323 HG23 VAL 92 HG23 VAL 92 6.518 -8.127 -7.729 324 H ASP 93 H ASP 93 7.977 -8.853 -2.944 325 HA ASP 93 HA ASP 93 6.383 -10.704 -1.579 326 HB2 ASP 93 HB2 ASP 93 8.802 -10.285 -1.243 327 HB3 ASP 93 HB3 ASP 93 8.446 -8.766 -0.439 328 H GLN 94 H GLN 94 6.284 -7.153 -1.293 329 HA GLN 94 HA GLN 94 4.488 -7.190 1.039 330 HB2 GLN 94 HB2 GLN 94 5.444 -4.970 -0.828 331 HB3 GLN 94 HB3 GLN 94 4.290 -4.731 0.479 332 HG2 GLN 94 HG2 GLN 94 6.324 -4.022 1.346 333 HG3 GLN 94 HG3 GLN 94 5.971 -5.551 2.132 334 HE21 GLN 94 HE21 GLN 94 8.003 -4.061 -0.498 335 HE22 GLN 94 HE22 GLN 94 9.264 -5.284 -0.312 336 H PHE 95 H PHE 95 4.069 -7.180 -2.460 337 HA PHE 95 HA PHE 95 1.203 -6.565 -2.340 338 HB2 PHE 95 HB2 PHE 95 3.049 -7.519 -4.562 339 HB3 PHE 95 HB3 PHE 95 1.325 -7.254 -4.771 340 HD1 PHE 95 HD1 PHE 95 4.550 -5.536 -3.982 341 HD2 PHE 95 HD2 PHE 95 0.389 -5.045 -4.994 342 HE1 PHE 95 HE1 PHE 95 4.904 -3.092 -4.277 343 HE2 PHE 95 HE2 PHE 95 0.763 -2.622 -5.340 344 HZ PHE 95 HZ PHE 95 3.023 -1.639 -4.981 345 H ARG 96 H ARG 96 3.235 -9.485 -2.636 346 HA ARG 96 HA ARG 96 1.099 -11.390 -2.674 347 HB2 ARG 96 HB2 ARG 96 3.685 -11.634 -3.098 348 HB3 ARG 96 HB3 ARG 96 3.789 -11.919 -1.358 349 HG2 ARG 96 HG2 ARG 96 2.105 -13.791 -1.640 350 HG3 ARG 96 HG3 ARG 96 2.090 -13.452 -3.383 351 HD2 ARG 96 HD2 ARG 96 4.664 -13.823 -3.286 352 HD3 ARG 96 HD3 ARG 96 4.378 -14.525 -1.697 353 HE ARG 96 HE ARG 96 3.077 -16.291 -2.697 354 HH11 ARG 96 HH11 ARG 96 4.732 -14.367 -5.204 355 HH12 ARG 96 HH12 ARG 96 4.589 -15.665 -6.365 356 HH21 ARG 96 HH21 ARG 96 2.941 -17.804 -4.181 357 HH22 ARG 96 HH22 ARG 96 3.565 -17.573 -5.814 358 H ALA 97 H ALA 97 2.955 -9.941 0.062 359 HA ALA 97 HA ALA 97 1.572 -11.133 2.202 360 HB1 ALA 97 HB1 ALA 97 2.408 -9.245 3.519 361 HB2 ALA 97 HB2 ALA 97 3.659 -9.840 2.416 362 HB3 ALA 97 HB3 ALA 97 2.773 -8.344 2.039 363 H MET 98 H MET 98 0.814 -7.985 0.597 364 HA MET 98 HA MET 98 -1.581 -7.327 1.900 365 HB2 MET 98 HB2 MET 98 -0.357 -5.927 0.233 366 HB3 MET 98 HB3 MET 98 -0.874 -7.017 -1.046 367 HG2 MET 98 HG2 MET 98 -3.317 -6.370 -0.163 368 HG3 MET 98 HG3 MET 98 -2.462 -4.969 0.454 369 HE1 MET 98 HE1 MET 98 -0.875 -3.468 -1.151 370 HE2 MET 98 HE2 MET 98 -0.145 -4.789 -2.087 371 HE3 MET 98 HE3 MET 98 -0.988 -3.462 -2.922 372 H GLN 99 H GLN 99 -1.204 -9.509 -0.933 373 HA GLN 99 HA GLN 99 -3.979 -10.181 -1.152 374 HB2 GLN 99 HB2 GLN 99 -2.357 -10.563 -2.978 375 HB3 GLN 99 HB3 GLN 99 -1.536 -11.794 -2.028 376 HG2 GLN 99 HG2 GLN 99 -3.570 -13.199 -2.020 377 HG3 GLN 99 HG3 GLN 99 -4.455 -11.942 -2.903 378 HE21 GLN 99 HE21 GLN 99 -4.304 -11.974 -5.217 379 HE22 GLN 99 HE22 GLN 99 -3.157 -13.015 -6.057 380 H GLU 100 H GLU 100 -1.347 -12.132 0.523 381 HA GLU 100 HA GLU 100 -3.254 -14.059 1.326 382 HB2 GLU 100 HB2 GLU 100 -1.694 -15.029 2.781 383 HB3 GLU 100 HB3 GLU 100 -0.856 -14.540 1.319 384 HG2 GLU 100 HG2 GLU 100 0.212 -12.707 2.450 385 HG3 GLU 100 HG3 GLU 100 -0.782 -12.914 3.899 386 H CYS 101 H CYS 101 -2.282 -11.063 2.929 387 HA CYS 101 HA CYS 101 -3.725 -11.474 5.376 388 HB2 CYS 101 HB2 CYS 101 -1.924 -9.796 4.870 389 HB3 CYS 101 HB3 CYS 101 -3.075 -8.860 3.929 390 H MET 102 H MET 102 -4.697 -9.725 2.376 391 HA MET 102 HA MET 102 -7.325 -9.175 3.556 392 HB2 MET 102 HB2 MET 102 -6.163 -8.455 0.838 393 HB3 MET 102 HB3 MET 102 -7.727 -7.898 1.473 394 HG2 MET 102 HG2 MET 102 -6.599 -6.871 3.417 395 HG3 MET 102 HG3 MET 102 -5.045 -7.458 2.832 396 HE1 MET 102 HE1 MET 102 -7.596 -4.659 2.871 397 HE2 MET 102 HE2 MET 102 -7.315 -3.777 1.355 398 HE3 MET 102 HE3 MET 102 -8.105 -5.365 1.311 399 H GLN 103 H GLN 103 -6.141 -11.703 1.415 400 HA GLN 103 HA GLN 103 -8.858 -12.487 0.666 401 HB2 GLN 103 HB2 GLN 103 -7.942 -14.350 -0.391 402 HB3 GLN 103 HB3 GLN 103 -6.749 -13.056 -0.636 403 HG2 GLN 103 HG2 GLN 103 -5.479 -14.054 1.354 404 HG3 GLN 103 HG3 GLN 103 -6.579 -15.402 1.319 405 HE21 GLN 103 HE21 GLN 103 -4.164 -16.334 1.015 406 HE22 GLN 103 HE22 GLN 103 -3.658 -16.488 -0.651 407 H LYS 104 H LYS 104 -6.884 -12.921 3.545 408 HA LYS 104 HA LYS 104 -8.850 -14.855 4.664 409 HB2 LYS 104 HB2 LYS 104 -6.332 -13.557 5.787 410 HB3 LYS 104 HB3 LYS 104 -7.456 -14.526 6.745 411 HG2 LYS 104 HG2 LYS 104 -6.902 -16.109 4.445 412 HG3 LYS 104 HG3 LYS 104 -5.354 -15.415 4.907 413 HD2 LYS 104 HD2 LYS 104 -7.233 -16.946 6.756 414 HD3 LYS 104 HD3 LYS 104 -5.809 -17.621 5.950 415 HE2 LYS 104 HE2 LYS 104 -4.329 -16.091 7.161 416 HE3 LYS 104 HE3 LYS 104 -5.712 -15.296 7.933 417 HZ1 LYS 104 HZ1 LYS 104 -4.646 -17.028 9.359 418 HZ2 LYS 104 HZ2 LYS 104 -5.018 -18.158 8.262 419 HZ3 LYS 104 HZ3 LYS 104 -6.224 -17.354 9.073 420 H TYR 105 H TYR 105 -8.024 -11.409 4.916 421 HA TYR 105 HA TYR 105 -10.311 -10.967 6.791 422 HB2 TYR 105 HB2 TYR 105 -7.826 -9.379 6.114 423 HB3 TYR 105 HB3 TYR 105 -9.157 -8.718 7.025 424 HD1 TYR 105 HD1 TYR 105 -9.189 -11.911 8.398 425 HD2 TYR 105 HD2 TYR 105 -6.726 -8.381 8.184 426 HE1 TYR 105 HE1 TYR 105 -8.259 -12.419 10.642 427 HE2 TYR 105 HE2 TYR 105 -5.789 -8.891 10.436 428 HH TYR 105 HH TYR 105 -5.927 -10.223 12.301 429 HA PRO 106 HA PRO 106 -12.121 -9.149 2.964 430 HB2 PRO 106 HB2 PRO 106 -14.689 -10.034 3.208 431 HB3 PRO 106 HB3 PRO 106 -13.355 -11.044 2.595 432 HG2 PRO 106 HG2 PRO 106 -14.459 -10.980 5.422 433 HG3 PRO 106 HG3 PRO 106 -14.134 -12.403 4.386 434 HD2 PRO 106 HD2 PRO 106 -12.349 -11.543 6.258 435 HD3 PRO 106 HD3 PRO 106 -11.816 -12.226 4.693 436 H ASP 107 H ASP 107 -14.875 -9.100 5.214 437 HA ASP 107 HA ASP 107 -14.682 -6.116 5.278 438 HB2 ASP 107 HB2 ASP 107 -16.998 -8.078 5.146 439 HB3 ASP 107 HB3 ASP 107 -17.247 -6.408 5.619 440 H LEU 108 H LEU 108 -13.859 -8.376 7.416 441 HA LEU 108 HA LEU 108 -15.538 -7.752 9.677 442 HB2 LEU 108 HB2 LEU 108 -14.248 -9.201 10.955 443 HB3 LEU 108 HB3 LEU 108 -14.370 -9.905 9.363 444 HG LEU 108 HG LEU 108 -12.236 -10.385 10.165 445 HD11 LEU 108 HD11 LEU 108 -12.268 -9.665 7.792 446 HD12 LEU 108 HD12 LEU 108 -10.706 -9.426 8.597 447 HD13 LEU 108 HD13 LEU 108 -11.754 -8.034 8.297 448 HD21 LEU 108 HD21 LEU 108 -10.591 -8.933 11.077 449 HD22 LEU 108 HD22 LEU 108 -12.099 -8.640 11.960 450 HD23 LEU 108 HD23 LEU 108 -11.541 -7.485 10.728 451 H TYR 109 H TYR 109 -13.217 -5.807 8.288 452 HA TYR 109 HA TYR 109 -12.081 -4.384 10.481 453 HB2 TYR 109 HB2 TYR 109 -13.019 -3.182 7.857 454 HB3 TYR 109 HB3 TYR 109 -11.703 -2.630 8.890 455 HD1 TYR 109 HD2 TYR 109 -9.896 -4.708 9.343 456 HD2 TYR 109 HD1 TYR 109 -12.361 -4.165 5.859 457 HE1 TYR 109 HE2 TYR 109 -8.298 -6.068 7.967 458 HE2 TYR 109 HE1 TYR 109 -10.768 -5.496 4.512 459 HH TYR 109 HH TYR 109 -9.046 -7.047 4.706 Start of MODEL 2 1 H GLY 45 H GLY 45 0.822 15.297 -7.897 2 HA2 GLY 45 HA2 GLY 45 -1.654 15.975 -6.442 3 HA3 GLY 45 HA3 GLY 45 -1.600 14.878 -7.839 4 H LEU 46 H LEU 46 -2.326 14.295 -5.036 5 HA LEU 46 HA LEU 46 -2.256 12.676 -3.530 6 HB2 LEU 46 HB2 LEU 46 -2.382 10.598 -4.406 7 HB3 LEU 46 HB3 LEU 46 -2.630 11.601 -5.807 8 HG LEU 46 HG LEU 46 0.160 11.119 -5.835 9 HD11 LEU 46 HD11 LEU 46 -1.277 8.529 -5.127 10 HD12 LEU 46 HD12 LEU 46 -0.175 9.398 -4.043 11 HD13 LEU 46 HD13 LEU 46 0.436 8.720 -5.563 12 HD21 LEU 46 HD21 LEU 46 -0.354 9.633 -7.744 13 HD22 LEU 46 HD22 LEU 46 -1.270 11.149 -7.806 14 HD23 LEU 46 HD23 LEU 46 -2.071 9.649 -7.279 15 H ILE 47 H ILE 47 0.975 13.352 -4.529 16 HA ILE 47 HA ILE 47 2.155 11.912 -2.186 17 HB ILE 47 HB ILE 47 3.422 13.463 -4.477 18 HG12 ILE 47 HG12 ILE 47 2.489 11.478 -5.427 19 HG13 ILE 47 HG13 ILE 47 4.212 11.222 -5.272 20 HG21 ILE 47 HG21 ILE 47 5.565 12.471 -3.814 21 HG22 ILE 47 HG22 ILE 47 4.920 13.496 -2.543 22 HG23 ILE 47 HG23 ILE 47 4.819 11.732 -2.400 23 HD11 ILE 47 HD11 ILE 47 2.033 10.039 -3.495 24 HD12 ILE 47 HD12 ILE 47 3.068 9.189 -4.647 25 HD13 ILE 47 HD13 ILE 47 3.766 9.867 -3.168 26 H LEU 48 H LEU 48 3.153 12.966 -0.503 27 HA LEU 48 HA LEU 48 2.122 15.562 0.290 28 HB2 LEU 48 HB2 LEU 48 4.085 13.517 1.415 29 HB3 LEU 48 HB3 LEU 48 3.862 15.044 2.216 30 HG LEU 48 HG LEU 48 1.463 13.282 1.649 31 HD11 LEU 48 HD11 LEU 48 3.067 11.871 2.848 32 HD12 LEU 48 HD12 LEU 48 1.735 12.327 3.916 33 HD13 LEU 48 HD13 LEU 48 3.308 13.137 4.075 34 HD21 LEU 48 HD21 LEU 48 2.102 15.437 3.732 35 HD22 LEU 48 HD22 LEU 48 0.611 14.488 3.690 36 HD23 LEU 48 HD23 LEU 48 0.988 15.592 2.354 37 HA PRO 49 HA PRO 49 5.522 18.160 -1.024 38 HB2 PRO 49 HB2 PRO 49 5.838 19.927 1.057 39 HB3 PRO 49 HB3 PRO 49 4.444 19.963 -0.069 40 HG2 PRO 49 HG2 PRO 49 4.587 18.649 2.667 41 HG3 PRO 49 HG3 PRO 49 3.335 19.769 2.047 42 HD2 PRO 49 HD2 PRO 49 2.966 17.103 1.979 43 HD3 PRO 49 HD3 PRO 49 2.438 18.109 0.607 44 H ASN 50 H ASN 50 5.800 16.242 1.923 45 HA ASN 50 HA ASN 50 8.733 16.560 1.998 46 HB2 ASN 50 HB2 ASN 50 8.636 15.352 4.048 47 HB3 ASN 50 HB3 ASN 50 7.375 16.572 4.072 48 HD21 ASN 50 HD21 ASN 50 7.980 13.091 3.522 49 HD22 ASN 50 HD22 ASN 50 6.389 12.583 4.099 50 H GLY 51 H GLY 51 6.952 14.886 -0.125 51 HA2 GLY 51 HA2 GLY 51 7.675 13.331 -1.666 52 HA3 GLY 51 HA3 GLY 51 9.164 13.103 -0.716 53 H ASN 52 H ASN 52 6.080 12.504 0.831 54 HA ASN 52 HA ASN 52 6.365 9.558 0.424 55 HB2 ASN 52 HB2 ASN 52 6.936 10.306 2.760 56 HB3 ASN 52 HB3 ASN 52 5.290 10.956 2.900 57 HD21 ASN 52 HD21 ASN 52 4.739 9.517 4.643 58 HD22 ASN 52 HD22 ASN 52 4.590 7.790 4.390 59 H ILE 53 H ILE 53 4.112 8.430 0.849 60 HA ILE 53 HA ILE 53 2.186 9.721 -0.982 61 HB ILE 53 HB ILE 53 2.015 7.088 0.503 62 HG12 ILE 53 HG12 ILE 53 2.697 7.468 -2.444 63 HG13 ILE 53 HG13 ILE 53 3.953 7.384 -1.219 64 HG21 ILE 53 HG21 ILE 53 -0.216 7.823 -0.180 65 HG22 ILE 53 HG22 ILE 53 0.371 8.250 -1.805 66 HG23 ILE 53 HG23 ILE 53 0.284 6.559 -1.292 67 HD11 ILE 53 HD11 ILE 53 1.953 5.169 -1.758 68 HD12 ILE 53 HD12 ILE 53 3.660 5.216 -2.236 69 HD13 ILE 53 HD13 ILE 53 3.223 5.156 -0.518 70 H ASN 54 H ASN 54 0.162 10.603 -0.524 71 HA ASN 54 HA ASN 54 -0.171 11.562 2.203 72 HB2 ASN 54 HB2 ASN 54 -0.409 12.991 0.159 73 HB3 ASN 54 HB3 ASN 54 -1.870 12.093 -0.264 74 HD21 ASN 54 HD21 ASN 54 -3.834 12.582 0.915 75 HD22 ASN 54 HD22 ASN 54 -3.844 13.885 2.102 76 H TRP 55 H TRP 55 -0.864 9.923 3.535 77 HA TRP 55 HA TRP 55 -3.092 8.212 2.872 78 HB2 TRP 55 HB2 TRP 55 -1.614 8.569 5.487 79 HB3 TRP 55 HB3 TRP 55 -2.644 7.218 5.048 80 HD1 TRP 55 HD1 TRP 55 0.760 7.766 5.515 81 HE1 TRP 55 HE1 TRP 55 2.311 6.334 4.049 82 HE3 TRP 55 HE3 TRP 55 -2.587 6.322 1.889 83 HZ2 TRP 55 HZ2 TRP 55 2.086 4.607 1.758 84 HZ3 TRP 55 HZ3 TRP 55 -1.875 4.809 0.079 85 HH2 TRP 55 HH2 TRP 55 0.434 3.915 0.010 86 H ASN 56 H ASN 56 -3.422 11.382 3.705 87 HA ASN 56 HA ASN 56 -5.859 10.973 5.347 88 HB2 ASN 56 HB2 ASN 56 -4.053 12.922 5.474 89 HB3 ASN 56 HB3 ASN 56 -5.071 13.657 4.238 90 HD21 ASN 56 HD21 ASN 56 -7.721 12.983 5.165 91 HD22 ASN 56 HD22 ASN 56 -7.903 13.638 6.780 92 H CYS 57 H CYS 57 -5.153 11.071 1.958 93 HA CYS 57 HA CYS 57 -7.555 12.365 0.962 94 HB2 CYS 57 HB2 CYS 57 -5.598 10.314 -0.176 95 HB3 CYS 57 HB3 CYS 57 -7.006 10.877 -1.096 96 HG CYS 57 HG CYS 57 -4.782 12.104 -1.871 97 HA PRO 58 HA PRO 58 -10.414 9.547 2.697 98 HB2 PRO 58 HB2 PRO 58 -12.514 9.483 0.815 99 HB3 PRO 58 HB3 PRO 58 -12.260 10.670 2.113 100 HG2 PRO 58 HG2 PRO 58 -11.431 10.868 -0.780 101 HG3 PRO 58 HG3 PRO 58 -12.179 12.129 0.248 102 HD2 PRO 58 HD2 PRO 58 -9.529 12.151 -0.217 103 HD3 PRO 58 HD3 PRO 58 -10.137 12.479 1.441 104 H CYS 59 H CYS 59 -10.719 8.626 -0.826 105 HA CYS 59 HA CYS 59 -11.044 5.920 -0.124 106 HB2 CYS 59 HB2 CYS 59 -10.147 6.961 -2.852 107 HB3 CYS 59 HB3 CYS 59 -11.100 5.510 -2.493 108 HG CYS 59 HG CYS 59 -13.128 6.962 -1.304 109 H LEU 60 H LEU 60 -8.083 7.514 -1.323 110 HA LEU 60 HA LEU 60 -6.405 5.181 -1.403 111 HB2 LEU 60 HB2 LEU 60 -5.946 7.317 -2.604 112 HB3 LEU 60 HB3 LEU 60 -5.757 8.149 -1.061 113 HG LEU 60 HG LEU 60 -3.737 6.765 -0.561 114 HD11 LEU 60 HD11 LEU 60 -4.117 5.726 -3.414 115 HD12 LEU 60 HD12 LEU 60 -4.256 4.761 -1.929 116 HD13 LEU 60 HD13 LEU 60 -2.694 5.449 -2.385 117 HD21 LEU 60 HD21 LEU 60 -3.510 8.979 -1.608 118 HD22 LEU 60 HD22 LEU 60 -3.662 8.252 -3.225 119 HD23 LEU 60 HD23 LEU 60 -2.261 7.873 -2.198 120 H GLY 61 H GLY 61 -7.250 7.405 1.208 121 HA2 GLY 61 HA2 GLY 61 -5.249 6.399 3.095 122 HA3 GLY 61 HA3 GLY 61 -6.527 7.616 3.379 123 H GLY 62 H GLY 62 -8.634 5.678 2.350 124 HA2 GLY 62 HA2 GLY 62 -9.137 4.126 4.761 125 HA3 GLY 62 HA3 GLY 62 -10.034 4.031 3.220 126 H MET 63 H MET 63 -7.886 3.354 1.481 127 HA MET 63 HA MET 63 -7.437 0.542 1.917 128 HB2 MET 63 HB2 MET 63 -6.023 2.589 0.153 129 HB3 MET 63 HB3 MET 63 -5.754 0.851 0.050 130 HG2 MET 63 HG2 MET 63 -8.618 1.645 -0.133 131 HG3 MET 63 HG3 MET 63 -7.600 2.296 -1.395 132 HE1 MET 63 HE1 MET 63 -8.059 -2.259 -0.663 133 HE2 MET 63 HE2 MET 63 -7.033 -1.251 0.379 134 HE3 MET 63 HE3 MET 63 -8.802 -1.025 0.377 135 H ALA 64 H ALA 64 -5.666 3.362 3.024 136 HA ALA 64 HA ALA 64 -3.333 1.835 3.906 137 HB1 ALA 64 HB1 ALA 64 -2.604 4.066 4.679 138 HB2 ALA 64 HB2 ALA 64 -3.213 4.148 3.013 139 HB3 ALA 64 HB3 ALA 64 -4.204 4.720 4.374 140 H SER 65 H SER 65 -6.389 1.793 5.207 141 HA SER 65 HA SER 65 -5.470 2.000 8.057 142 HB2 SER 65 HB2 SER 65 -7.229 3.625 7.186 143 HB3 SER 65 HB3 SER 65 -8.303 2.248 7.004 144 HG SER 65 HG SER 65 -7.246 3.411 9.349 145 H GLY 66 H GLY 66 -7.014 0.692 9.548 146 HA2 GLY 66 HA2 GLY 66 -7.623 -1.406 10.350 147 HA3 GLY 66 HA3 GLY 66 -7.708 -1.980 8.661 148 HA PRO 67 HA PRO 67 -3.898 -3.874 10.606 149 HB2 PRO 67 HB2 PRO 67 -4.448 -6.502 9.955 150 HB3 PRO 67 HB3 PRO 67 -4.968 -5.708 11.465 151 HG2 PRO 67 HG2 PRO 67 -6.581 -6.148 8.943 152 HG3 PRO 67 HG3 PRO 67 -7.081 -6.398 10.644 153 HD2 PRO 67 HD2 PRO 67 -7.723 -4.135 9.250 154 HD3 PRO 67 HD3 PRO 67 -7.373 -4.089 11.003 155 H CYS 68 H CYS 68 -5.290 -5.496 7.657 156 HA CYS 68 HA CYS 68 -2.806 -5.641 6.370 157 HB2 CYS 68 HB2 CYS 68 -5.537 -5.621 5.057 158 HB3 CYS 68 HB3 CYS 68 -4.051 -6.255 4.372 159 H GLY 69 H GLY 69 -4.794 -2.762 6.514 160 HA2 GLY 69 HA2 GLY 69 -3.908 -1.476 4.123 161 HA3 GLY 69 HA3 GLY 69 -4.409 -0.657 5.614 162 H GLU 70 H GLU 70 -2.189 -2.124 7.141 163 HA GLU 70 HA GLU 70 -0.015 -0.344 6.761 164 HB2 GLU 70 HB2 GLU 70 1.146 -1.551 8.328 165 HB3 GLU 70 HB3 GLU 70 -0.531 -1.804 8.798 166 HG2 GLU 70 HG2 GLU 70 -0.426 -4.084 7.691 167 HG3 GLU 70 HG3 GLU 70 1.272 -3.787 7.344 168 H GLN 71 H GLN 71 -0.808 -3.355 5.118 169 HA GLN 71 HA GLN 71 1.910 -3.722 4.024 170 HB2 GLN 71 HB2 GLN 71 -0.624 -5.247 3.315 171 HB3 GLN 71 HB3 GLN 71 1.029 -5.726 3.022 172 HG2 GLN 71 HG2 GLN 71 -0.359 -5.560 5.735 173 HG3 GLN 71 HG3 GLN 71 0.046 -7.026 4.845 174 HE21 GLN 71 HE21 GLN 71 0.941 -6.942 7.460 175 HE22 GLN 71 HE22 GLN 71 2.674 -6.675 7.421 176 H PHE 72 H PHE 72 -1.332 -2.662 2.899 177 HA PHE 72 HA PHE 72 -0.578 -2.059 0.195 178 HB2 PHE 72 HB2 PHE 72 -2.908 -2.114 0.918 179 HB3 PHE 72 HB3 PHE 72 -2.641 -0.810 2.070 180 HD1 PHE 72 HD2 PHE 72 -2.624 -1.627 -1.590 181 HD2 PHE 72 HD1 PHE 72 -2.819 1.476 1.396 182 HE1 PHE 72 HE2 PHE 72 -3.146 0.043 -3.352 183 HE2 PHE 72 HE1 PHE 72 -3.347 3.136 -0.364 184 HZ PHE 72 HZ PHE 72 -3.485 2.431 -2.747 185 H LYS 73 H LYS 73 -0.380 -0.045 3.211 186 HA LYS 73 HA LYS 73 0.885 2.203 2.009 187 HB2 LYS 73 HB2 LYS 73 1.174 1.041 4.813 188 HB3 LYS 73 HB3 LYS 73 2.008 2.505 4.270 189 HG2 LYS 73 HG2 LYS 73 -0.318 3.406 3.642 190 HG3 LYS 73 HG3 LYS 73 -0.982 2.113 4.616 191 HD2 LYS 73 HD2 LYS 73 1.047 4.149 5.669 192 HD3 LYS 73 HD3 LYS 73 -0.681 4.389 5.733 193 HE2 LYS 73 HE2 LYS 73 -0.194 3.634 7.848 194 HE3 LYS 73 HE3 LYS 73 -0.886 2.216 7.051 195 HZ1 LYS 73 HZ1 LYS 73 2.041 2.745 7.353 196 HZ2 LYS 73 HZ2 LYS 73 1.385 1.369 6.789 197 HZ3 LYS 73 HZ3 LYS 73 1.195 1.788 8.370 198 H SER 74 H SER 74 2.468 -0.752 3.370 199 HA SER 74 HA SER 74 5.138 0.048 2.704 200 HB2 SER 74 HB2 SER 74 4.477 -1.833 4.246 201 HB3 SER 74 HB3 SER 74 4.127 -2.816 2.811 202 HG SER 74 HG SER 74 6.356 -2.602 2.201 203 H ALA 75 H ALA 75 2.935 -2.105 0.827 204 HA ALA 75 HA ALA 75 4.743 -2.724 -1.236 205 HB1 ALA 75 HB1 ALA 75 2.642 -3.933 -0.752 206 HB2 ALA 75 HB2 ALA 75 1.667 -2.511 -1.171 207 HB3 ALA 75 HB3 ALA 75 2.583 -3.362 -2.419 208 H PHE 76 H PHE 76 2.223 -0.146 -1.212 209 HA PHE 76 HA PHE 76 2.929 0.873 -3.780 210 HB2 PHE 76 HB2 PHE 76 0.763 1.080 -2.175 211 HB3 PHE 76 HB3 PHE 76 1.532 2.605 -1.780 212 HD1 PHE 76 HD1 PHE 76 2.137 4.158 -3.860 213 HD2 PHE 76 HD2 PHE 76 -0.591 0.821 -4.044 214 HE1 PHE 76 HE1 PHE 76 1.032 5.183 -5.827 215 HE2 PHE 76 HE2 PHE 76 -1.684 1.818 -6.043 216 HZ PHE 76 HZ PHE 76 -0.877 4.008 -6.924 217 H SER 77 H SER 77 4.015 1.671 -0.481 218 HA SER 77 HA SER 77 5.572 4.009 -1.144 219 HB2 SER 77 HB2 SER 77 5.035 3.488 1.169 220 HB3 SER 77 HB3 SER 77 5.893 1.908 1.053 221 HG SER 77 HG SER 77 7.213 3.536 2.004 222 H CYS 78 H CYS 78 6.598 0.548 -0.822 223 HA CYS 78 HA CYS 78 9.260 0.861 -1.659 224 HB2 CYS 78 HB2 CYS 78 8.386 -1.126 -0.602 225 HB3 CYS 78 HB3 CYS 78 7.282 -1.428 -1.928 226 H PHE 79 H PHE 79 6.399 0.168 -3.729 227 HA PHE 79 HA PHE 79 7.769 0.230 -6.218 228 HB2 PHE 79 HB2 PHE 79 5.550 -0.650 -6.143 229 HB3 PHE 79 HB3 PHE 79 4.914 0.788 -5.347 230 HD1 PHE 79 HD2 PHE 79 6.890 0.112 -8.508 231 HD2 PHE 79 HD1 PHE 79 3.568 2.161 -6.664 232 HE1 PHE 79 HE2 PHE 79 6.385 1.230 -10.648 233 HE2 PHE 79 HE1 PHE 79 3.070 3.279 -8.821 234 HZ PHE 79 HZ PHE 79 4.472 2.797 -10.830 235 H HIS 80 H HIS 80 6.263 2.949 -4.418 236 HA HIS 80 HA HIS 80 6.767 4.941 -6.415 237 HB2 HIS 80 HB2 HIS 80 5.059 5.163 -4.657 238 HB3 HIS 80 HB3 HIS 80 6.315 5.114 -3.416 239 HD1 HIS 80 HD1 HIS 80 6.472 7.404 -6.549 240 HD2 HIS 80 HD2 HIS 80 6.120 7.481 -2.369 241 HE1 HIS 80 HE1 HIS 80 6.524 9.860 -5.863 242 H TYR 81 H TYR 81 8.624 4.190 -3.377 243 HA TYR 81 HA TYR 81 10.693 6.084 -4.021 244 HB2 TYR 81 HB2 TYR 81 10.465 3.757 -2.087 245 HB3 TYR 81 HB3 TYR 81 11.971 4.630 -2.290 246 HD1 TYR 81 HD2 TYR 81 12.262 6.947 -1.572 247 HD2 TYR 81 HD1 TYR 81 8.549 4.864 -0.951 248 HE1 TYR 81 HE2 TYR 81 11.564 8.667 0.080 249 HE2 TYR 81 HE1 TYR 81 7.844 6.571 0.688 250 HH TYR 81 HH TYR 81 8.402 8.460 1.758 251 H SER 82 H SER 82 10.315 2.655 -4.941 252 HA SER 82 HA SER 82 12.951 2.307 -6.072 253 HB2 SER 82 HB2 SER 82 11.614 0.373 -5.672 254 HB3 SER 82 HB3 SER 82 10.240 1.052 -6.541 255 HG SER 82 HG SER 82 12.237 -0.467 -7.556 256 H THR 83 H THR 83 10.116 4.007 -7.300 257 HA THR 83 HA THR 83 9.482 4.890 -9.253 258 HB THR 83 HB THR 83 10.994 6.413 -10.366 259 HG1 THR 83 HG1 THR 83 13.069 6.039 -8.628 260 HG21 THR 83 HG21 THR 83 9.908 7.116 -8.274 261 HG22 THR 83 HG22 THR 83 11.495 7.883 -8.508 262 HG23 THR 83 HG23 THR 83 11.320 6.532 -7.356 263 H GLU 84 H GLU 84 10.722 2.084 -9.486 264 HA GLU 84 HA GLU 84 11.995 1.524 -11.733 265 HB2 GLU 84 HB2 GLU 84 10.321 0.085 -9.869 266 HB3 GLU 84 HB3 GLU 84 10.011 -0.580 -11.430 267 HG2 GLU 84 HG2 GLU 84 12.866 -0.193 -10.454 268 HG3 GLU 84 HG3 GLU 84 11.884 -1.550 -9.928 269 H GLU 85 H GLU 85 8.558 2.204 -11.901 270 HA GLU 85 HA GLU 85 7.401 2.710 -13.962 271 HB2 GLU 85 HB2 GLU 85 8.768 0.238 -15.074 272 HB3 GLU 85 HB3 GLU 85 7.372 0.982 -15.802 273 HG2 GLU 85 HG2 GLU 85 8.490 2.917 -16.470 274 HG3 GLU 85 HG3 GLU 85 9.866 2.652 -15.415 275 H ILE 86 H ILE 86 7.888 -0.761 -13.075 276 HA ILE 86 HA ILE 86 5.004 -1.196 -13.384 277 HB ILE 86 HB ILE 86 7.055 -3.323 -12.673 278 HG12 ILE 86 HG12 ILE 86 6.675 -3.748 -15.326 279 HG13 ILE 86 HG13 ILE 86 6.548 -1.995 -15.331 280 HG21 ILE 86 HG21 ILE 86 5.395 -4.813 -13.728 281 HG22 ILE 86 HG22 ILE 86 4.694 -3.942 -12.365 282 HG23 ILE 86 HG23 ILE 86 4.327 -3.427 -14.025 283 HD11 ILE 86 HD11 ILE 86 8.852 -2.688 -15.773 284 HD12 ILE 86 HD12 ILE 86 8.832 -1.930 -14.169 285 HD13 ILE 86 HD13 ILE 86 8.878 -3.697 -14.313 286 H LYS 87 H LYS 87 3.567 -1.194 -11.823 287 HA LYS 87 HA LYS 87 3.998 -0.810 -9.073 288 HB2 LYS 87 HB2 LYS 87 1.665 -1.848 -10.705 289 HB3 LYS 87 HB3 LYS 87 1.580 -1.793 -8.942 290 HG2 LYS 87 HG2 LYS 87 1.996 0.573 -8.881 291 HG3 LYS 87 HG3 LYS 87 2.287 0.640 -10.629 292 HD2 LYS 87 HD2 LYS 87 -0.039 0.142 -11.103 293 HD3 LYS 87 HD3 LYS 87 -0.380 -0.167 -9.386 294 HE2 LYS 87 HE2 LYS 87 0.060 2.146 -8.795 295 HE3 LYS 87 HE3 LYS 87 0.660 2.510 -10.422 296 HZ1 LYS 87 HZ1 LYS 87 -1.664 3.263 -10.048 297 HZ2 LYS 87 HZ2 LYS 87 -2.148 1.699 -9.889 298 HZ3 LYS 87 HZ3 LYS 87 -1.529 2.205 -11.299 299 H GLY 88 H GLY 88 5.493 -2.035 -8.158 300 HA2 GLY 88 HA2 GLY 88 5.680 -3.756 -6.476 301 HA3 GLY 88 HA3 GLY 88 4.826 -4.892 -7.541 302 H SER 89 H SER 89 7.103 -3.197 -9.388 303 HA SER 89 HA SER 89 8.508 -5.298 -10.227 304 HB2 SER 89 HB2 SER 89 8.550 -2.893 -11.029 305 HB3 SER 89 HB3 SER 89 9.868 -2.623 -9.886 306 HG SER 89 HG SER 89 10.572 -3.212 -12.070 307 H ASP 90 H ASP 90 10.140 -3.321 -7.609 308 HA ASP 90 HA ASP 90 11.989 -5.588 -7.094 309 HB2 ASP 90 HB2 ASP 90 11.692 -2.797 -5.889 310 HB3 ASP 90 HB3 ASP 90 12.926 -3.950 -5.410 311 H CYS 91 H CYS 91 8.892 -4.909 -6.156 312 HA CYS 91 HA CYS 91 9.227 -5.420 -3.232 313 HB2 CYS 91 HB2 CYS 91 6.932 -4.093 -4.691 314 HB3 CYS 91 HB3 CYS 91 7.296 -3.994 -2.975 315 H VAL 92 H VAL 92 8.457 -7.458 -5.564 316 HA VAL 92 HA VAL 92 5.856 -8.188 -5.483 317 HB VAL 92 HB VAL 92 7.514 -9.157 -6.971 318 HG11 VAL 92 HG11 VAL 92 8.859 -11.088 -6.422 319 HG12 VAL 92 HG12 VAL 92 9.264 -9.779 -5.307 320 HG13 VAL 92 HG13 VAL 92 8.238 -11.130 -4.768 321 HG21 VAL 92 HG21 VAL 92 5.240 -10.136 -6.805 322 HG22 VAL 92 HG22 VAL 92 6.461 -11.325 -7.285 323 HG23 VAL 92 HG23 VAL 92 5.840 -11.321 -5.623 324 H ASP 93 H ASP 93 8.168 -9.445 -2.989 325 HA ASP 93 HA ASP 93 6.505 -11.115 -1.580 326 HB2 ASP 93 HB2 ASP 93 8.594 -9.171 -0.531 327 HB3 ASP 93 HB3 ASP 93 7.914 -10.499 0.402 328 H GLN 94 H GLN 94 6.342 -7.566 -1.549 329 HA GLN 94 HA GLN 94 4.597 -7.496 0.846 330 HB2 GLN 94 HB2 GLN 94 5.601 -5.346 -1.050 331 HB3 GLN 94 HB3 GLN 94 4.643 -5.033 0.391 332 HG2 GLN 94 HG2 GLN 94 6.376 -5.667 1.871 333 HG3 GLN 94 HG3 GLN 94 7.258 -6.578 0.634 334 HE21 GLN 94 HE21 GLN 94 9.089 -5.538 -0.142 335 HE22 GLN 94 HE22 GLN 94 9.210 -3.786 -0.282 336 H PHE 95 H PHE 95 4.280 -7.211 -2.686 337 HA PHE 95 HA PHE 95 1.434 -6.577 -2.653 338 HB2 PHE 95 HB2 PHE 95 3.355 -7.634 -4.771 339 HB3 PHE 95 HB3 PHE 95 1.636 -7.447 -5.062 340 HD1 PHE 95 HD1 PHE 95 4.569 -5.404 -3.799 341 HD2 PHE 95 HD2 PHE 95 0.847 -5.434 -5.971 342 HE1 PHE 95 HE1 PHE 95 4.817 -2.990 -4.250 343 HE2 PHE 95 HE2 PHE 95 1.133 -3.028 -6.478 344 HZ PHE 95 HZ PHE 95 3.097 -1.783 -5.577 345 H ARG 96 H ARG 96 3.370 -9.554 -2.726 346 HA ARG 96 HA ARG 96 1.239 -11.459 -2.693 347 HB2 ARG 96 HB2 ARG 96 3.596 -11.988 -3.217 348 HB3 ARG 96 HB3 ARG 96 4.061 -11.616 -1.555 349 HG2 ARG 96 HG2 ARG 96 2.563 -13.467 -0.753 350 HG3 ARG 96 HG3 ARG 96 2.190 -13.843 -2.446 351 HD2 ARG 96 HD2 ARG 96 4.637 -14.238 -2.836 352 HD3 ARG 96 HD3 ARG 96 4.938 -13.945 -1.109 353 HE ARG 96 HE ARG 96 2.932 -15.899 -1.211 354 HH11 ARG 96 HH11 ARG 96 6.377 -15.800 -2.234 355 HH12 ARG 96 HH12 ARG 96 6.455 -17.523 -2.219 356 HH21 ARG 96 HH21 ARG 96 3.188 -18.025 -1.146 357 HH22 ARG 96 HH22 ARG 96 4.663 -18.781 -1.740 358 H ALA 97 H ALA 97 3.065 -9.938 0.075 359 HA ALA 97 HA ALA 97 1.541 -11.174 2.123 360 HB1 ALA 97 HB1 ALA 97 3.710 -10.008 2.450 361 HB2 ALA 97 HB2 ALA 97 2.921 -8.445 2.144 362 HB3 ALA 97 HB3 ALA 97 2.473 -9.411 3.560 363 H MET 98 H MET 98 0.928 -7.995 0.503 364 HA MET 98 HA MET 98 -1.433 -7.271 1.857 365 HB2 MET 98 HB2 MET 98 -0.142 -5.913 0.172 366 HB3 MET 98 HB3 MET 98 -0.792 -6.937 -1.102 367 HG2 MET 98 HG2 MET 98 -3.141 -6.229 -0.160 368 HG3 MET 98 HG3 MET 98 -2.243 -4.976 0.691 369 HE1 MET 98 HE1 MET 98 -3.043 -5.347 -3.837 370 HE2 MET 98 HE2 MET 98 -2.128 -6.614 -2.991 371 HE3 MET 98 HE3 MET 98 -3.815 -6.262 -2.531 372 H GLN 99 H GLN 99 -1.235 -9.312 -1.155 373 HA GLN 99 HA GLN 99 -4.032 -9.958 -1.109 374 HB2 GLN 99 HB2 GLN 99 -1.648 -11.298 -2.437 375 HB3 GLN 99 HB3 GLN 99 -3.289 -11.926 -2.549 376 HG2 GLN 99 HG2 GLN 99 -4.019 -9.647 -3.421 377 HG3 GLN 99 HG3 GLN 99 -2.301 -9.239 -3.573 378 HE21 GLN 99 HE21 GLN 99 -1.176 -10.098 -5.460 379 HE22 GLN 99 HE22 GLN 99 -2.016 -11.141 -6.597 380 H GLU 100 H GLU 100 -1.259 -11.789 0.385 381 HA GLU 100 HA GLU 100 -2.986 -13.921 1.150 382 HB2 GLU 100 HB2 GLU 100 -1.202 -14.961 1.883 383 HB3 GLU 100 HB3 GLU 100 -0.342 -13.705 1.041 384 HG2 GLU 100 HG2 GLU 100 0.865 -13.522 2.901 385 HG3 GLU 100 HG3 GLU 100 -0.443 -12.570 3.561 386 H CYS 101 H CYS 101 -2.117 -10.956 2.853 387 HA CYS 101 HA CYS 101 -3.513 -11.496 5.322 388 HB2 CYS 101 HB2 CYS 101 -1.674 -9.836 4.919 389 HB3 CYS 101 HB3 CYS 101 -2.781 -8.851 3.971 390 H MET 102 H MET 102 -4.460 -9.614 2.381 391 HA MET 102 HA MET 102 -7.015 -8.920 3.567 392 HB2 MET 102 HB2 MET 102 -5.970 -8.599 0.733 393 HB3 MET 102 HB3 MET 102 -7.539 -7.995 1.306 394 HG2 MET 102 HG2 MET 102 -6.407 -6.674 3.071 395 HG3 MET 102 HG3 MET 102 -4.838 -7.264 2.492 396 HE1 MET 102 HE1 MET 102 -7.720 -4.687 2.033 397 HE2 MET 102 HE2 MET 102 -7.513 -4.177 0.351 398 HE3 MET 102 HE3 MET 102 -8.094 -5.810 0.703 399 H GLN 103 H GLN 103 -6.060 -11.643 1.469 400 HA GLN 103 HA GLN 103 -8.859 -12.378 1.088 401 HB2 GLN 103 HB2 GLN 103 -8.117 -14.297 -0.043 402 HB3 GLN 103 HB3 GLN 103 -7.108 -12.967 -0.527 403 HG2 GLN 103 HG2 GLN 103 -5.482 -14.551 -0.264 404 HG3 GLN 103 HG3 GLN 103 -5.479 -13.863 1.364 405 HE21 GLN 103 HE21 GLN 103 -4.986 -15.551 2.678 406 HE22 GLN 103 HE22 GLN 103 -5.766 -17.137 2.614 407 H LYS 104 H LYS 104 -6.735 -12.668 3.809 408 HA LYS 104 HA LYS 104 -8.359 -14.792 5.067 409 HB2 LYS 104 HB2 LYS 104 -6.240 -12.883 6.143 410 HB3 LYS 104 HB3 LYS 104 -7.089 -14.033 7.149 411 HG2 LYS 104 HG2 LYS 104 -5.599 -15.009 4.704 412 HG3 LYS 104 HG3 LYS 104 -4.699 -14.576 6.148 413 HD2 LYS 104 HD2 LYS 104 -6.999 -16.569 6.189 414 HD3 LYS 104 HD3 LYS 104 -5.317 -17.010 5.869 415 HE2 LYS 104 HE2 LYS 104 -4.692 -15.881 8.070 416 HE3 LYS 104 HE3 LYS 104 -6.422 -15.765 8.432 417 HZ1 LYS 104 HZ1 LYS 104 -4.889 -18.249 7.929 418 HZ2 LYS 104 HZ2 LYS 104 -6.492 -18.232 8.234 419 HZ3 LYS 104 HZ3 LYS 104 -5.400 -17.783 9.399 420 H TYR 105 H TYR 105 -8.483 -11.359 4.622 421 HA TYR 105 HA TYR 105 -10.614 -10.981 6.705 422 HB2 TYR 105 HB2 TYR 105 -8.164 -9.347 6.004 423 HB3 TYR 105 HB3 TYR 105 -9.499 -8.674 6.879 424 HD1 TYR 105 HD2 TYR 105 -9.708 -11.639 8.513 425 HD2 TYR 105 HD1 TYR 105 -6.878 -8.435 7.897 426 HE1 TYR 105 HE2 TYR 105 -8.674 -12.133 10.706 427 HE2 TYR 105 HE1 TYR 105 -5.839 -8.931 10.116 428 HH TYR 105 HH TYR 105 -7.016 -11.567 12.235 429 HA PRO 106 HA PRO 106 -12.336 -9.386 2.719 430 HB2 PRO 106 HB2 PRO 106 -14.919 -10.251 3.011 431 HB3 PRO 106 HB3 PRO 106 -13.589 -11.274 2.403 432 HG2 PRO 106 HG2 PRO 106 -14.708 -11.153 5.219 433 HG3 PRO 106 HG3 PRO 106 -14.323 -12.593 4.232 434 HD2 PRO 106 HD2 PRO 106 -12.603 -11.632 6.109 435 HD3 PRO 106 HD3 PRO 106 -12.007 -12.355 4.587 436 H ASP 107 H ASP 107 -14.437 -9.226 5.699 437 HA ASP 107 HA ASP 107 -14.518 -6.261 5.455 438 HB2 ASP 107 HB2 ASP 107 -16.764 -8.149 4.830 439 HB3 ASP 107 HB3 ASP 107 -17.189 -6.696 5.707 440 H LEU 108 H LEU 108 -13.537 -8.257 7.540 441 HA LEU 108 HA LEU 108 -15.384 -8.126 9.745 442 HB2 LEU 108 HB2 LEU 108 -13.851 -9.218 11.050 443 HB3 LEU 108 HB3 LEU 108 -13.620 -9.853 9.457 444 HG LEU 108 HG LEU 108 -11.525 -9.773 10.416 445 HD11 LEU 108 HD11 LEU 108 -10.181 -8.248 9.098 446 HD12 LEU 108 HD12 LEU 108 -11.580 -7.260 8.696 447 HD13 LEU 108 HD13 LEU 108 -11.496 -8.937 8.117 448 HD21 LEU 108 HD21 LEU 108 -10.453 -7.988 11.579 449 HD22 LEU 108 HD22 LEU 108 -12.029 -8.276 12.327 450 HD23 LEU 108 HD23 LEU 108 -11.782 -6.867 11.272 451 H TYR 109 H TYR 109 -12.966 -5.918 8.658 452 HA TYR 109 HA TYR 109 -12.117 -4.301 10.563 453 HB2 TYR 109 HB2 TYR 109 -13.419 -3.170 8.079 454 HB3 TYR 109 HB3 TYR 109 -12.038 -2.560 8.917 455 HD1 TYR 109 HD2 TYR 109 -9.912 -4.064 9.007 456 HD2 TYR 109 HD1 TYR 109 -13.171 -4.634 6.213 457 HE1 TYR 109 HE2 TYR 109 -8.378 -5.373 7.472 458 HE2 TYR 109 HE1 TYR 109 -11.679 -6.013 4.736 459 HH TYR 109 HH TYR 109 -9.629 -7.028 4.582 Start of MODEL 3 1 H GLY 45 H GLY 45 0.235 16.433 -5.569 2 HA2 GLY 45 HA2 GLY 45 -2.401 15.471 -6.459 3 HA3 GLY 45 HA3 GLY 45 -0.845 14.787 -6.981 4 H LEU 46 H LEU 46 -1.031 12.762 -6.065 5 HA LEU 46 HA LEU 46 -2.004 12.417 -3.342 6 HB2 LEU 46 HB2 LEU 46 -1.966 10.085 -3.854 7 HB3 LEU 46 HB3 LEU 46 -2.622 10.961 -5.214 8 HG LEU 46 HG LEU 46 0.075 10.777 -5.914 9 HD11 LEU 46 HD11 LEU 46 0.492 9.236 -3.971 10 HD12 LEU 46 HD12 LEU 46 0.787 8.472 -5.544 11 HD13 LEU 46 HD13 LEU 46 -0.700 8.113 -4.646 12 HD21 LEU 46 HD21 LEU 46 -0.651 9.046 -7.508 13 HD22 LEU 46 HD22 LEU 46 -1.832 10.362 -7.405 14 HD23 LEU 46 HD23 LEU 46 -2.153 8.816 -6.586 15 H ILE 47 H ILE 47 1.063 13.307 -4.305 16 HA ILE 47 HA ILE 47 2.422 11.817 -2.078 17 HB ILE 47 HB ILE 47 3.596 13.165 -4.541 18 HG12 ILE 47 HG12 ILE 47 2.477 11.081 -5.184 19 HG13 ILE 47 HG13 ILE 47 4.213 10.951 -5.334 20 HG21 ILE 47 HG21 ILE 47 4.941 11.670 -2.266 21 HG22 ILE 47 HG22 ILE 47 5.722 12.015 -3.822 22 HG23 ILE 47 HG23 ILE 47 5.206 13.344 -2.796 23 HD11 ILE 47 HD11 ILE 47 2.595 9.800 -3.022 24 HD12 ILE 47 HD12 ILE 47 3.191 8.896 -4.417 25 HD13 ILE 47 HD13 ILE 47 4.345 9.602 -3.276 26 H LEU 48 H LEU 48 3.085 12.856 -0.382 27 HA LEU 48 HA LEU 48 2.452 15.622 0.210 28 HB2 LEU 48 HB2 LEU 48 4.090 13.398 1.507 29 HB3 LEU 48 HB3 LEU 48 3.996 14.968 2.246 30 HG LEU 48 HG LEU 48 1.477 13.374 1.618 31 HD11 LEU 48 HD11 LEU 48 2.911 11.994 3.053 32 HD12 LEU 48 HD12 LEU 48 1.532 12.611 3.966 33 HD13 LEU 48 HD13 LEU 48 3.132 13.352 4.184 34 HD21 LEU 48 HD21 LEU 48 2.114 15.681 3.534 35 HD22 LEU 48 HD22 LEU 48 0.574 14.816 3.475 36 HD23 LEU 48 HD23 LEU 48 1.102 15.760 2.073 37 HA PRO 49 HA PRO 49 6.143 17.622 -1.279 38 HB2 PRO 49 HB2 PRO 49 6.835 19.413 0.677 39 HB3 PRO 49 HB3 PRO 49 5.362 19.583 -0.324 40 HG2 PRO 49 HG2 PRO 49 5.569 18.282 2.422 41 HG3 PRO 49 HG3 PRO 49 4.482 19.614 1.928 42 HD2 PRO 49 HD2 PRO 49 3.579 17.099 1.870 43 HD3 PRO 49 HD3 PRO 49 3.233 18.163 0.471 44 H ASN 50 H ASN 50 6.281 15.733 1.601 45 HA ASN 50 HA ASN 50 9.220 15.738 1.830 46 HB2 ASN 50 HB2 ASN 50 7.685 15.883 3.815 47 HB3 ASN 50 HB3 ASN 50 7.035 14.292 3.386 48 HD21 ASN 50 HD21 ASN 50 7.774 13.050 5.141 49 HD22 ASN 50 HD22 ASN 50 9.481 12.881 5.494 50 H GLY 51 H GLY 51 7.093 14.183 -0.188 51 HA2 GLY 51 HA2 GLY 51 7.653 12.593 -1.777 52 HA3 GLY 51 HA3 GLY 51 8.987 12.007 -0.759 53 H ASN 52 H ASN 52 6.590 11.858 1.390 54 HA ASN 52 HA ASN 52 5.960 9.063 0.810 55 HB2 ASN 52 HB2 ASN 52 6.604 10.070 3.102 56 HB3 ASN 52 HB3 ASN 52 4.921 10.610 3.189 57 HD21 ASN 52 HD21 ASN 52 5.986 8.845 5.114 58 HD22 ASN 52 HD22 ASN 52 5.359 7.225 4.857 59 H ILE 53 H ILE 53 3.598 8.351 1.194 60 HA ILE 53 HA ILE 53 1.917 9.775 -0.807 61 HB ILE 53 HB ILE 53 1.677 7.135 0.639 62 HG12 ILE 53 HG12 ILE 53 1.959 7.469 -2.366 63 HG13 ILE 53 HG13 ILE 53 3.391 7.628 -1.377 64 HG21 ILE 53 HG21 ILE 53 -0.209 6.650 -0.968 65 HG22 ILE 53 HG22 ILE 53 -0.596 7.896 0.206 66 HG23 ILE 53 HG23 ILE 53 -0.173 8.359 -1.459 67 HD11 ILE 53 HD11 ILE 53 3.137 5.348 -2.208 68 HD12 ILE 53 HD12 ILE 53 3.110 5.413 -0.431 69 HD13 ILE 53 HD13 ILE 53 1.591 5.195 -1.338 70 H ASN 54 H ASN 54 -0.026 10.725 -0.422 71 HA ASN 54 HA ASN 54 -0.448 11.730 2.288 72 HB2 ASN 54 HB2 ASN 54 -0.548 13.120 0.184 73 HB3 ASN 54 HB3 ASN 54 -2.062 12.321 -0.224 74 HD21 ASN 54 HD21 ASN 54 -3.935 12.770 1.152 75 HD22 ASN 54 HD22 ASN 54 -3.930 14.162 2.219 76 H TRP 55 H TRP 55 -0.881 9.602 3.200 77 HA TRP 55 HA TRP 55 -3.132 8.005 2.714 78 HB2 TRP 55 HB2 TRP 55 -1.962 8.509 5.458 79 HB3 TRP 55 HB3 TRP 55 -2.649 7.024 4.833 80 HD1 TRP 55 HD1 TRP 55 0.519 8.529 5.646 81 HE1 TRP 55 HE1 TRP 55 2.509 7.372 4.549 82 HE3 TRP 55 HE3 TRP 55 -1.970 5.738 2.128 83 HZ2 TRP 55 HZ2 TRP 55 2.973 5.282 2.616 84 HZ3 TRP 55 HZ3 TRP 55 -0.722 4.138 0.709 85 HH2 TRP 55 HH2 TRP 55 1.743 3.897 0.939 86 H ASN 56 H ASN 56 -3.456 11.201 3.622 87 HA ASN 56 HA ASN 56 -5.793 10.878 5.395 88 HB2 ASN 56 HB2 ASN 56 -3.992 12.639 5.661 89 HB3 ASN 56 HB3 ASN 56 -4.572 13.394 4.186 90 HD21 ASN 56 HD21 ASN 56 -5.713 12.302 7.436 91 HD22 ASN 56 HD22 ASN 56 -6.808 13.654 7.639 92 H CYS 57 H CYS 57 -5.331 10.784 2.011 93 HA CYS 57 HA CYS 57 -7.849 12.036 1.189 94 HB2 CYS 57 HB2 CYS 57 -6.013 10.037 -0.220 95 HB3 CYS 57 HB3 CYS 57 -7.347 10.907 -0.996 96 HG CYS 57 HG CYS 57 -6.371 13.372 -0.476 97 HA PRO 58 HA PRO 58 -10.658 9.045 2.479 98 HB2 PRO 58 HB2 PRO 58 -12.555 8.774 0.438 99 HB3 PRO 58 HB3 PRO 58 -12.439 10.120 1.595 100 HG2 PRO 58 HG2 PRO 58 -11.321 9.978 -1.204 101 HG3 PRO 58 HG3 PRO 58 -12.222 11.324 -0.435 102 HD2 PRO 58 HD2 PRO 58 -9.529 11.392 -0.603 103 HD3 PRO 58 HD3 PRO 58 -10.344 11.920 0.903 104 H CYS 59 H CYS 59 -10.218 8.013 -1.007 105 HA CYS 59 HA CYS 59 -10.616 5.246 -0.343 106 HB2 CYS 59 HB2 CYS 59 -9.406 6.536 -2.856 107 HB3 CYS 59 HB3 CYS 59 -10.071 4.895 -2.719 108 HG CYS 59 HG CYS 59 -12.444 5.434 -2.301 109 H LEU 60 H LEU 60 -7.698 6.951 -1.409 110 HA LEU 60 HA LEU 60 -5.805 4.866 -1.082 111 HB2 LEU 60 HB2 LEU 60 -5.694 6.989 -2.475 112 HB3 LEU 60 HB3 LEU 60 -5.473 7.902 -0.978 113 HG LEU 60 HG LEU 60 -3.297 6.761 -0.617 114 HD11 LEU 60 HD11 LEU 60 -3.830 5.481 -3.336 115 HD12 LEU 60 HD12 LEU 60 -3.696 4.625 -1.788 116 HD13 LEU 60 HD13 LEU 60 -2.283 5.443 -2.463 117 HD21 LEU 60 HD21 LEU 60 -3.383 8.902 -1.801 118 HD22 LEU 60 HD22 LEU 60 -3.699 8.068 -3.342 119 HD23 LEU 60 HD23 LEU 60 -2.137 7.872 -2.534 120 H GLY 61 H GLY 61 -7.226 6.990 1.326 121 HA2 GLY 61 HA2 GLY 61 -5.267 6.324 3.417 122 HA3 GLY 61 HA3 GLY 61 -6.751 7.304 3.568 123 H GLY 62 H GLY 62 -8.656 5.415 2.562 124 HA2 GLY 62 HA2 GLY 62 -9.159 3.832 4.904 125 HA3 GLY 62 HA3 GLY 62 -9.979 3.660 3.332 126 H MET 63 H MET 63 -8.039 2.896 1.649 127 HA MET 63 HA MET 63 -7.469 0.141 2.157 128 HB2 MET 63 HB2 MET 63 -6.200 2.137 0.223 129 HB3 MET 63 HB3 MET 63 -5.979 0.382 0.157 130 HG2 MET 63 HG2 MET 63 -8.356 0.041 -0.270 131 HG3 MET 63 HG3 MET 63 -8.682 1.759 -0.094 132 HE1 MET 63 HE1 MET 63 -9.323 1.217 -3.887 133 HE2 MET 63 HE2 MET 63 -9.669 0.074 -2.576 134 HE3 MET 63 HE3 MET 63 -9.973 1.799 -2.345 135 H ALA 64 H ALA 64 -5.737 2.958 3.207 136 HA ALA 64 HA ALA 64 -3.270 1.438 3.845 137 HB1 ALA 64 HB1 ALA 64 -3.963 4.410 3.950 138 HB2 ALA 64 HB2 ALA 64 -2.362 3.724 4.227 139 HB3 ALA 64 HB3 ALA 64 -3.103 3.600 2.619 140 H SER 65 H SER 65 -6.158 1.815 5.373 141 HA SER 65 HA SER 65 -5.047 2.343 8.107 142 HB2 SER 65 HB2 SER 65 -7.868 2.605 7.000 143 HB3 SER 65 HB3 SER 65 -7.395 2.865 8.685 144 HG SER 65 HG SER 65 -6.550 4.350 6.403 145 H GLY 66 H GLY 66 -6.184 1.139 9.900 146 HA2 GLY 66 HA2 GLY 66 -7.165 -0.723 10.881 147 HA3 GLY 66 HA3 GLY 66 -7.716 -1.209 9.270 148 HA PRO 67 HA PRO 67 -4.721 -4.373 10.649 149 HB2 PRO 67 HB2 PRO 67 -5.740 -6.550 9.326 150 HB3 PRO 67 HB3 PRO 67 -6.444 -5.875 10.830 151 HG2 PRO 67 HG2 PRO 67 -7.358 -5.413 7.977 152 HG3 PRO 67 HG3 PRO 67 -8.346 -5.758 9.424 153 HD2 PRO 67 HD2 PRO 67 -7.940 -3.223 8.438 154 HD3 PRO 67 HD3 PRO 67 -8.184 -3.546 10.179 155 H CYS 68 H CYS 68 -5.693 -5.044 7.209 156 HA CYS 68 HA CYS 68 -2.946 -5.467 6.476 157 HB2 CYS 68 HB2 CYS 68 -5.380 -5.084 4.702 158 HB3 CYS 68 HB3 CYS 68 -3.832 -5.765 4.215 159 H GLY 69 H GLY 69 -4.435 -2.536 7.013 160 HA2 GLY 69 HA2 GLY 69 -3.801 -0.885 4.878 161 HA3 GLY 69 HA3 GLY 69 -3.848 -0.367 6.570 162 H GLU 70 H GLU 70 -1.564 -1.860 7.527 163 HA GLU 70 HA GLU 70 0.635 -0.191 6.646 164 HB2 GLU 70 HB2 GLU 70 2.040 -1.578 8.027 165 HB3 GLU 70 HB3 GLU 70 0.581 -1.090 8.901 166 HG2 GLU 70 HG2 GLU 70 -0.391 -3.287 8.716 167 HG3 GLU 70 HG3 GLU 70 0.806 -3.805 7.531 168 H GLN 71 H GLN 71 -0.544 -3.277 5.449 169 HA GLN 71 HA GLN 71 1.966 -4.004 4.095 170 HB2 GLN 71 HB2 GLN 71 -0.826 -5.185 3.736 171 HB3 GLN 71 HB3 GLN 71 0.703 -5.865 3.184 172 HG2 GLN 71 HG2 GLN 71 -0.168 -5.557 6.088 173 HG3 GLN 71 HG3 GLN 71 -0.128 -7.048 5.164 174 HE21 GLN 71 HE21 GLN 71 1.450 -6.090 7.730 175 HE22 GLN 71 HE22 GLN 71 3.085 -6.386 7.232 176 H PHE 72 H PHE 72 -1.253 -2.657 3.252 177 HA PHE 72 HA PHE 72 -0.682 -2.108 0.491 178 HB2 PHE 72 HB2 PHE 72 -2.932 -2.056 1.496 179 HB3 PHE 72 HB3 PHE 72 -2.466 -0.729 2.540 180 HD1 PHE 72 HD1 PHE 72 -3.388 -1.696 -0.891 181 HD2 PHE 72 HD2 PHE 72 -2.236 1.561 1.675 182 HE1 PHE 72 HE1 PHE 72 -4.203 -0.075 -2.585 183 HE2 PHE 72 HE2 PHE 72 -3.059 3.182 -0.007 184 HZ PHE 72 HZ PHE 72 -4.051 2.365 -2.147 185 H LYS 73 H LYS 73 -0.157 -0.112 3.500 186 HA LYS 73 HA LYS 73 1.079 2.068 2.170 187 HB2 LYS 73 HB2 LYS 73 1.859 0.996 4.912 188 HB3 LYS 73 HB3 LYS 73 2.218 2.578 4.259 189 HG2 LYS 73 HG2 LYS 73 -0.648 2.250 4.179 190 HG3 LYS 73 HG3 LYS 73 -0.072 1.671 5.735 191 HD2 LYS 73 HD2 LYS 73 1.300 4.019 5.646 192 HD3 LYS 73 HD3 LYS 73 -0.048 4.399 4.591 193 HE2 LYS 73 HE2 LYS 73 -0.491 5.139 6.866 194 HE3 LYS 73 HE3 LYS 73 -1.658 3.914 6.369 195 HZ1 LYS 73 HZ1 LYS 73 -0.574 2.306 7.646 196 HZ2 LYS 73 HZ2 LYS 73 -0.607 3.613 8.641 197 HZ3 LYS 73 HZ3 LYS 73 0.791 3.191 7.836 198 H SER 74 H SER 74 2.601 -0.918 3.476 199 HA SER 74 HA SER 74 5.249 -0.200 2.711 200 HB2 SER 74 HB2 SER 74 4.609 -1.889 4.417 201 HB3 SER 74 HB3 SER 74 4.052 -2.965 3.131 202 HG SER 74 HG SER 74 6.732 -1.978 3.317 203 H ALA 75 H ALA 75 2.775 -2.108 0.886 204 HA ALA 75 HA ALA 75 4.487 -2.627 -1.362 205 HB1 ALA 75 HB1 ALA 75 2.342 -3.249 -2.438 206 HB2 ALA 75 HB2 ALA 75 2.464 -3.935 -0.803 207 HB3 ALA 75 HB3 ALA 75 1.458 -2.508 -1.094 208 H PHE 76 H PHE 76 1.992 -0.062 -0.869 209 HA PHE 76 HA PHE 76 2.445 1.075 -3.476 210 HB2 PHE 76 HB2 PHE 76 0.435 1.205 -1.620 211 HB3 PHE 76 HB3 PHE 76 1.174 2.757 -1.350 212 HD1 PHE 76 HD1 PHE 76 1.438 4.296 -3.483 213 HD2 PHE 76 HD2 PHE 76 -1.072 0.801 -3.331 214 HE1 PHE 76 HE1 PHE 76 0.124 5.163 -5.390 215 HE2 PHE 76 HE2 PHE 76 -2.384 1.666 -5.247 216 HZ PHE 76 HZ PHE 76 -1.790 3.856 -6.283 217 H SER 77 H SER 77 3.698 1.910 -0.216 218 HA SER 77 HA SER 77 5.218 4.245 -1.032 219 HB2 SER 77 HB2 SER 77 4.723 3.726 1.337 220 HB3 SER 77 HB3 SER 77 5.771 2.293 1.230 221 HG SER 77 HG SER 77 6.821 4.247 2.040 222 H CYS 78 H CYS 78 6.062 0.692 -0.906 223 HA CYS 78 HA CYS 78 8.768 1.188 -1.725 224 HB2 CYS 78 HB2 CYS 78 7.955 -0.819 -0.563 225 HB3 CYS 78 HB3 CYS 78 7.107 -1.340 -2.022 226 H PHE 79 H PHE 79 5.793 0.651 -3.741 227 HA PHE 79 HA PHE 79 7.294 0.734 -6.212 228 HB2 PHE 79 HB2 PHE 79 5.033 -0.073 -6.258 229 HB3 PHE 79 HB3 PHE 79 4.417 1.419 -5.543 230 HD1 PHE 79 HD2 PHE 79 6.338 0.225 -8.579 231 HD2 PHE 79 HD1 PHE 79 3.629 3.155 -6.938 232 HE1 PHE 79 HE2 PHE 79 6.073 1.238 -10.822 233 HE2 PHE 79 HE1 PHE 79 3.428 4.218 -9.163 234 HZ PHE 79 HZ PHE 79 4.635 3.249 -11.118 235 H HIS 80 H HIS 80 5.832 3.365 -4.207 236 HA HIS 80 HA HIS 80 6.631 5.365 -6.177 237 HB2 HIS 80 HB2 HIS 80 5.297 5.415 -3.478 238 HB3 HIS 80 HB3 HIS 80 6.005 6.896 -4.099 239 HD1 HIS 80 HD1 HIS 80 5.003 7.866 -6.433 240 HD2 HIS 80 HD2 HIS 80 3.158 4.434 -4.874 241 HE1 HIS 80 HE1 HIS 80 2.884 7.466 -7.832 242 H TYR 81 H TYR 81 8.395 4.043 -3.414 243 HA TYR 81 HA TYR 81 10.513 6.071 -3.834 244 HB2 TYR 81 HB2 TYR 81 10.066 3.811 -1.883 245 HB3 TYR 81 HB3 TYR 81 11.640 4.550 -2.102 246 HD1 TYR 81 HD1 TYR 81 8.092 5.764 -1.500 247 HD2 TYR 81 HD2 TYR 81 12.294 6.182 -0.629 248 HE1 TYR 81 HE1 TYR 81 7.574 7.550 0.148 249 HE2 TYR 81 HE2 TYR 81 11.777 7.933 1.049 250 HH TYR 81 HH TYR 81 10.119 9.216 2.047 251 H SER 82 H SER 82 9.773 2.768 -4.892 252 HA SER 82 HA SER 82 12.406 2.086 -5.863 253 HB2 SER 82 HB2 SER 82 10.802 0.350 -5.599 254 HB3 SER 82 HB3 SER 82 9.620 1.172 -6.647 255 HG SER 82 HG SER 82 11.111 -0.651 -7.460 256 H THR 83 H THR 83 9.605 3.427 -7.651 257 HA THR 83 HA THR 83 9.348 4.724 -9.469 258 HB THR 83 HB THR 83 10.876 6.503 -9.970 259 HG1 THR 83 HG1 THR 83 12.613 4.876 -8.594 260 HG21 THR 83 HG21 THR 83 10.719 6.094 -6.971 261 HG22 THR 83 HG22 THR 83 9.392 6.708 -7.990 262 HG23 THR 83 HG23 THR 83 10.902 7.634 -7.840 263 H GLU 84 H GLU 84 9.652 2.303 -10.239 264 HA GLU 84 HA GLU 84 11.498 2.250 -12.623 265 HB2 GLU 84 HB2 GLU 84 9.901 0.018 -11.228 266 HB3 GLU 84 HB3 GLU 84 10.958 -0.203 -12.629 267 HG2 GLU 84 HG2 GLU 84 12.009 0.861 -10.016 268 HG3 GLU 84 HG3 GLU 84 11.901 -0.812 -10.351 269 H GLU 85 H GLU 85 9.213 0.090 -13.534 270 HA GLU 85 HA GLU 85 7.291 2.081 -14.701 271 HB2 GLU 85 HB2 GLU 85 8.967 1.467 -16.382 272 HB3 GLU 85 HB3 GLU 85 8.615 -0.248 -16.179 273 HG2 GLU 85 HG2 GLU 85 6.372 0.060 -17.108 274 HG3 GLU 85 HG3 GLU 85 6.565 1.803 -17.105 275 H ILE 86 H ILE 86 7.605 -0.941 -12.959 276 HA ILE 86 HA ILE 86 4.717 -1.571 -13.431 277 HB ILE 86 HB ILE 86 7.043 -3.476 -13.083 278 HG12 ILE 86 HG12 ILE 86 5.662 -4.346 -15.296 279 HG13 ILE 86 HG13 ILE 86 5.403 -2.614 -15.429 280 HG21 ILE 86 HG21 ILE 86 4.073 -4.115 -13.118 281 HG22 ILE 86 HG22 ILE 86 5.376 -5.312 -13.259 282 HG23 ILE 86 HG23 ILE 86 5.212 -4.384 -11.776 283 HD11 ILE 86 HD11 ILE 86 8.084 -4.058 -15.242 284 HD12 ILE 86 HD12 ILE 86 7.382 -3.291 -16.681 285 HD13 ILE 86 HD13 ILE 86 7.905 -2.294 -15.312 286 H LYS 87 H LYS 87 3.431 -1.921 -11.734 287 HA LYS 87 HA LYS 87 4.039 -1.003 -9.139 288 HB2 LYS 87 HB2 LYS 87 1.839 -2.842 -10.149 289 HB3 LYS 87 HB3 LYS 87 1.912 -2.233 -8.505 290 HG2 LYS 87 HG2 LYS 87 1.586 -0.536 -11.013 291 HG3 LYS 87 HG3 LYS 87 0.351 -0.932 -9.815 292 HD2 LYS 87 HD2 LYS 87 1.885 0.243 -8.076 293 HD3 LYS 87 HD3 LYS 87 2.800 0.817 -9.473 294 HE2 LYS 87 HE2 LYS 87 1.344 2.587 -8.922 295 HE3 LYS 87 HE3 LYS 87 0.678 1.848 -10.380 296 HZ1 LYS 87 HZ1 LYS 87 -1.093 2.219 -8.796 297 HZ2 LYS 87 HZ2 LYS 87 -0.292 1.436 -7.599 298 HZ3 LYS 87 HZ3 LYS 87 -0.865 0.618 -8.910 299 H GLY 88 H GLY 88 5.910 -1.810 -8.382 300 HA2 GLY 88 HA2 GLY 88 6.877 -2.993 -6.643 301 HA3 GLY 88 HA3 GLY 88 5.585 -4.231 -6.744 302 H SER 89 H SER 89 7.474 -3.316 -9.645 303 HA SER 89 HA SER 89 8.134 -5.909 -10.411 304 HB2 SER 89 HB2 SER 89 10.204 -4.802 -11.494 305 HB3 SER 89 HB3 SER 89 8.619 -4.192 -11.942 306 HG SER 89 HG SER 89 10.344 -3.002 -9.995 307 H ASP 90 H ASP 90 10.038 -3.939 -8.152 308 HA ASP 90 HA ASP 90 11.847 -6.187 -7.550 309 HB2 ASP 90 HB2 ASP 90 13.160 -4.399 -6.413 310 HB3 ASP 90 HB3 ASP 90 12.930 -4.107 -8.127 311 H CYS 91 H CYS 91 9.381 -4.116 -6.146 312 HA CYS 91 HA CYS 91 9.765 -4.951 -3.400 313 HB2 CYS 91 HB2 CYS 91 7.401 -3.573 -4.734 314 HB3 CYS 91 HB3 CYS 91 7.726 -3.607 -3.011 315 H VAL 92 H VAL 92 8.696 -6.907 -5.665 316 HA VAL 92 HA VAL 92 6.192 -7.705 -5.541 317 HB VAL 92 HB VAL 92 8.428 -9.759 -5.489 318 HG11 VAL 92 HG11 VAL 92 6.257 -10.886 -5.318 319 HG12 VAL 92 HG12 VAL 92 5.613 -9.906 -6.656 320 HG13 VAL 92 HG13 VAL 92 6.896 -11.100 -6.947 321 HG21 VAL 92 HG21 VAL 92 7.221 -8.234 -7.839 322 HG22 VAL 92 HG22 VAL 92 8.875 -8.044 -7.203 323 HG23 VAL 92 HG23 VAL 92 8.387 -9.559 -7.965 324 H ASP 93 H ASP 93 8.389 -8.933 -2.878 325 HA ASP 93 HA ASP 93 6.364 -10.631 -1.874 326 HB2 ASP 93 HB2 ASP 93 7.866 -11.388 -0.495 327 HB3 ASP 93 HB3 ASP 93 9.007 -10.448 -1.430 328 H GLN 94 H GLN 94 6.689 -7.229 -1.404 329 HA GLN 94 HA GLN 94 4.870 -7.021 0.921 330 HB2 GLN 94 HB2 GLN 94 6.036 -5.010 -1.055 331 HB3 GLN 94 HB3 GLN 94 4.755 -4.585 0.056 332 HG2 GLN 94 HG2 GLN 94 6.956 -3.939 0.921 333 HG3 GLN 94 HG3 GLN 94 6.058 -5.031 1.989 334 HE21 GLN 94 HE21 GLN 94 8.358 -5.583 -0.825 335 HE22 GLN 94 HE22 GLN 94 9.193 -6.844 0.088 336 H PHE 95 H PHE 95 4.586 -6.719 -2.660 337 HA PHE 95 HA PHE 95 1.755 -6.157 -2.657 338 HB2 PHE 95 HB2 PHE 95 3.732 -7.104 -4.753 339 HB3 PHE 95 HB3 PHE 95 2.008 -7.035 -5.079 340 HD1 PHE 95 HD2 PHE 95 4.935 -4.919 -4.077 341 HD2 PHE 95 HD1 PHE 95 0.876 -4.988 -5.528 342 HE1 PHE 95 HE2 PHE 95 5.050 -2.478 -4.535 343 HE2 PHE 95 HE1 PHE 95 0.994 -2.556 -5.976 344 HZ PHE 95 HZ PHE 95 3.075 -1.293 -5.467 345 H ARG 96 H ARG 96 3.666 -9.141 -2.611 346 HA ARG 96 HA ARG 96 1.465 -10.997 -2.767 347 HB2 ARG 96 HB2 ARG 96 3.958 -11.436 -3.130 348 HB3 ARG 96 HB3 ARG 96 4.141 -11.434 -1.375 349 HG2 ARG 96 HG2 ARG 96 2.562 -13.367 -1.232 350 HG3 ARG 96 HG3 ARG 96 2.383 -13.329 -2.997 351 HD2 ARG 96 HD2 ARG 96 4.897 -13.630 -3.163 352 HD3 ARG 96 HD3 ARG 96 4.938 -13.886 -1.412 353 HE ARG 96 HE ARG 96 3.306 -15.823 -1.899 354 HH11 ARG 96 HH11 ARG 96 5.897 -14.967 -4.216 355 HH12 ARG 96 HH12 ARG 96 5.906 -16.600 -4.851 356 HH21 ARG 96 HH21 ARG 96 3.557 -17.961 -2.817 357 HH22 ARG 96 HH22 ARG 96 4.671 -18.131 -4.139 358 H ALA 97 H ALA 97 3.223 -9.570 0.062 359 HA ALA 97 HA ALA 97 1.734 -10.809 2.107 360 HB1 ALA 97 HB1 ALA 97 2.701 -9.043 3.534 361 HB2 ALA 97 HB2 ALA 97 3.916 -9.674 2.413 362 HB3 ALA 97 HB3 ALA 97 3.148 -8.101 2.104 363 H MET 98 H MET 98 1.090 -7.533 0.637 364 HA MET 98 HA MET 98 -1.286 -7.130 2.204 365 HB2 MET 98 HB2 MET 98 -1.905 -5.395 0.682 366 HB3 MET 98 HB3 MET 98 -0.167 -5.308 0.957 367 HG2 MET 98 HG2 MET 98 0.298 -6.336 -1.161 368 HG3 MET 98 HG3 MET 98 -1.403 -6.619 -1.509 369 HE1 MET 98 HE1 MET 98 -2.797 -3.223 -2.558 370 HE2 MET 98 HE2 MET 98 -2.989 -4.987 -2.579 371 HE3 MET 98 HE3 MET 98 -3.029 -4.105 -1.028 372 H GLN 99 H GLN 99 -0.810 -9.098 -0.663 373 HA GLN 99 HA GLN 99 -3.662 -9.348 -1.248 374 HB2 GLN 99 HB2 GLN 99 -1.680 -9.427 -2.850 375 HB3 GLN 99 HB3 GLN 99 -1.362 -11.071 -2.291 376 HG2 GLN 99 HG2 GLN 99 -3.514 -11.819 -3.184 377 HG3 GLN 99 HG3 GLN 99 -3.994 -10.155 -3.538 378 HE21 GLN 99 HE21 GLN 99 -1.682 -9.104 -4.808 379 HE22 GLN 99 HE22 GLN 99 -1.316 -10.076 -6.233 380 H GLU 100 H GLU 100 -1.149 -11.486 0.218 381 HA GLU 100 HA GLU 100 -2.964 -13.549 0.961 382 HB2 GLU 100 HB2 GLU 100 -1.071 -14.570 1.450 383 HB3 GLU 100 HB3 GLU 100 -0.228 -13.139 0.983 384 HG2 GLU 100 HG2 GLU 100 0.755 -13.562 2.979 385 HG3 GLU 100 HG3 GLU 100 -0.427 -12.362 3.465 386 H CYS 101 H CYS 101 -2.030 -10.574 2.709 387 HA CYS 101 HA CYS 101 -3.455 -11.153 5.107 388 HB2 CYS 101 HB2 CYS 101 -1.748 -9.406 4.806 389 HB3 CYS 101 HB3 CYS 101 -2.834 -8.472 3.789 390 H MET 102 H MET 102 -4.617 -9.280 2.227 391 HA MET 102 HA MET 102 -7.147 -8.753 3.564 392 HB2 MET 102 HB2 MET 102 -6.176 -8.241 0.724 393 HB3 MET 102 HB3 MET 102 -7.808 -7.834 1.284 394 HG2 MET 102 HG2 MET 102 -6.830 -6.567 3.195 395 HG3 MET 102 HG3 MET 102 -5.220 -6.824 2.501 396 HE1 MET 102 HE1 MET 102 -5.240 -4.607 -0.655 397 HE2 MET 102 HE2 MET 102 -4.331 -5.718 0.397 398 HE3 MET 102 HE3 MET 102 -5.654 -6.333 -0.622 399 H GLN 103 H GLN 103 -6.156 -11.419 1.430 400 HA GLN 103 HA GLN 103 -8.885 -12.227 0.983 401 HB2 GLN 103 HB2 GLN 103 -8.030 -14.241 0.066 402 HB3 GLN 103 HB3 GLN 103 -7.103 -12.879 -0.526 403 HG2 GLN 103 HG2 GLN 103 -5.316 -13.418 1.162 404 HG3 GLN 103 HG3 GLN 103 -6.247 -14.856 1.635 405 HE21 GLN 103 HE21 GLN 103 -4.089 -15.879 0.971 406 HE22 GLN 103 HE22 GLN 103 -3.940 -16.311 -0.736 407 H LYS 104 H LYS 104 -6.821 -12.584 3.787 408 HA LYS 104 HA LYS 104 -8.783 -14.483 4.967 409 HB2 LYS 104 HB2 LYS 104 -6.190 -13.282 6.033 410 HB3 LYS 104 HB3 LYS 104 -7.326 -14.241 7.015 411 HG2 LYS 104 HG2 LYS 104 -7.142 -16.100 5.290 412 HG3 LYS 104 HG3 LYS 104 -5.866 -15.177 4.515 413 HD2 LYS 104 HD2 LYS 104 -4.930 -16.925 5.874 414 HD3 LYS 104 HD3 LYS 104 -4.472 -15.356 6.557 415 HE2 LYS 104 HE2 LYS 104 -6.032 -15.606 8.387 416 HE3 LYS 104 HE3 LYS 104 -6.888 -16.917 7.569 417 HZ1 LYS 104 HZ1 LYS 104 -5.401 -17.723 9.354 418 HZ2 LYS 104 HZ2 LYS 104 -4.082 -17.217 8.511 419 HZ3 LYS 104 HZ3 LYS 104 -5.083 -18.365 7.896 420 H TYR 105 H TYR 105 -8.115 -11.059 4.907 421 HA TYR 105 HA TYR 105 -10.349 -10.583 6.851 422 HB2 TYR 105 HB2 TYR 105 -7.937 -8.872 6.219 423 HB3 TYR 105 HB3 TYR 105 -9.198 -8.461 7.364 424 HD1 TYR 105 HD1 TYR 105 -9.453 -11.287 8.719 425 HD2 TYR 105 HD2 TYR 105 -6.086 -8.803 7.676 426 HE1 TYR 105 HE1 TYR 105 -8.148 -12.285 10.558 427 HE2 TYR 105 HE2 TYR 105 -4.772 -9.805 9.523 428 HH TYR 105 HH TYR 105 -6.171 -12.259 11.724 429 HA PRO 106 HA PRO 106 -11.686 -8.938 2.738 430 HB2 PRO 106 HB2 PRO 106 -14.129 -10.131 2.467 431 HB3 PRO 106 HB3 PRO 106 -12.580 -10.950 2.109 432 HG2 PRO 106 HG2 PRO 106 -14.206 -11.098 4.674 433 HG3 PRO 106 HG3 PRO 106 -13.527 -12.451 3.713 434 HD2 PRO 106 HD2 PRO 106 -12.223 -11.470 5.884 435 HD3 PRO 106 HD3 PRO 106 -11.333 -11.987 4.417 436 H ASP 107 H ASP 107 -14.154 -9.131 5.455 437 HA ASP 107 HA ASP 107 -14.476 -6.253 5.378 438 HB2 ASP 107 HB2 ASP 107 -15.826 -7.258 3.358 439 HB3 ASP 107 HB3 ASP 107 -16.995 -7.703 4.592 440 H LEU 108 H LEU 108 -13.804 -8.071 7.453 441 HA LEU 108 HA LEU 108 -16.139 -8.381 9.207 442 HB2 LEU 108 HB2 LEU 108 -14.710 -9.503 10.729 443 HB3 LEU 108 HB3 LEU 108 -14.465 -10.132 9.127 444 HG LEU 108 HG LEU 108 -12.427 -10.126 10.356 445 HD11 LEU 108 HD11 LEU 108 -10.918 -9.087 8.834 446 HD12 LEU 108 HD12 LEU 108 -12.133 -7.934 8.263 447 HD13 LEU 108 HD13 LEU 108 -12.305 -9.671 7.903 448 HD21 LEU 108 HD21 LEU 108 -12.879 -8.224 11.906 449 HD22 LEU 108 HD22 LEU 108 -12.461 -7.091 10.597 450 HD23 LEU 108 HD23 LEU 108 -11.256 -8.228 11.210 451 H TYR 109 H TYR 109 -14.454 -5.754 8.466 452 HA TYR 109 HA TYR 109 -14.891 -4.326 11.044 453 HB2 TYR 109 HB2 TYR 109 -13.685 -2.492 9.507 454 HB3 TYR 109 HB3 TYR 109 -12.793 -3.707 10.388 455 HD1 TYR 109 HD1 TYR 109 -14.281 -3.084 6.994 456 HD2 TYR 109 HD2 TYR 109 -11.300 -5.184 9.289 457 HE1 TYR 109 HE1 TYR 109 -13.333 -4.062 4.896 458 HE2 TYR 109 HE2 TYR 109 -10.333 -6.117 7.181 459 HH TYR 109 HH TYR 109 -10.625 -6.353 4.866 Start of MODEL 4 1 H GLY 45 H GLY 45 -1.602 12.274 -8.465 2 HA2 GLY 45 HA2 GLY 45 -1.711 13.672 -6.530 3 HA3 GLY 45 HA3 GLY 45 -3.464 13.400 -6.475 4 H LEU 46 H LEU 46 -0.889 12.634 -4.841 5 HA LEU 46 HA LEU 46 -1.735 10.461 -3.402 6 HB2 LEU 46 HB2 LEU 46 -0.504 8.543 -4.076 7 HB3 LEU 46 HB3 LEU 46 -1.630 8.966 -5.315 8 HG LEU 46 HG LEU 46 1.387 9.329 -5.358 9 HD11 LEU 46 HD11 LEU 46 -0.452 7.466 -6.908 10 HD12 LEU 46 HD12 LEU 46 0.618 7.019 -5.559 11 HD13 LEU 46 HD13 LEU 46 1.315 7.579 -7.083 12 HD21 LEU 46 HD21 LEU 46 -0.588 10.008 -7.580 13 HD22 LEU 46 HD22 LEU 46 1.170 9.878 -7.779 14 HD23 LEU 46 HD23 LEU 46 0.517 11.137 -6.745 15 H ILE 47 H ILE 47 1.041 12.347 -4.517 16 HA ILE 47 HA ILE 47 2.632 11.510 -2.132 17 HB ILE 47 HB ILE 47 3.495 13.020 -4.628 18 HG12 ILE 47 HG12 ILE 47 2.989 10.871 -5.447 19 HG13 ILE 47 HG13 ILE 47 4.717 10.889 -5.209 20 HG21 ILE 47 HG21 ILE 47 5.806 12.359 -3.854 21 HG22 ILE 47 HG22 ILE 47 4.994 13.545 -2.851 22 HG23 ILE 47 HG23 ILE 47 5.089 11.853 -2.311 23 HD11 ILE 47 HD11 ILE 47 3.963 8.766 -4.418 24 HD12 ILE 47 HD12 ILE 47 4.315 9.714 -2.958 25 HD13 ILE 47 HD13 ILE 47 2.648 9.473 -3.471 26 H LEU 48 H LEU 48 3.411 12.915 -0.663 27 HA LEU 48 HA LEU 48 2.169 15.586 -0.383 28 HB2 LEU 48 HB2 LEU 48 3.843 13.807 1.459 29 HB3 LEU 48 HB3 LEU 48 3.244 15.384 1.911 30 HG LEU 48 HG LEU 48 1.327 13.181 1.106 31 HD11 LEU 48 HD11 LEU 48 2.600 12.307 2.966 32 HD12 LEU 48 HD12 LEU 48 1.017 12.808 3.563 33 HD13 LEU 48 HD13 LEU 48 2.440 13.833 3.871 34 HD21 LEU 48 HD21 LEU 48 -0.242 14.549 2.451 35 HD22 LEU 48 HD22 LEU 48 0.440 15.497 1.115 36 HD23 LEU 48 HD23 LEU 48 1.036 15.733 2.770 37 HA PRO 49 HA PRO 49 5.766 17.635 -1.811 38 HB2 PRO 49 HB2 PRO 49 5.860 19.989 -0.405 39 HB3 PRO 49 HB3 PRO 49 4.574 19.593 -1.582 40 HG2 PRO 49 HG2 PRO 49 4.502 19.227 1.437 41 HG3 PRO 49 HG3 PRO 49 3.288 20.044 0.393 42 HD2 PRO 49 HD2 PRO 49 2.967 17.473 1.156 43 HD3 PRO 49 HD3 PRO 49 2.541 17.983 -0.504 44 H ASN 50 H ASN 50 5.892 16.403 1.337 45 HA ASN 50 HA ASN 50 8.760 16.993 1.781 46 HB2 ASN 50 HB2 ASN 50 8.211 15.730 3.952 47 HB3 ASN 50 HB3 ASN 50 7.465 17.306 3.712 48 HD21 ASN 50 HD21 ASN 50 6.754 14.000 4.463 49 HD22 ASN 50 HD22 ASN 50 5.040 14.125 4.197 50 H GLY 51 H GLY 51 6.884 14.557 0.251 51 HA2 GLY 51 HA2 GLY 51 7.878 12.811 -0.982 52 HA3 GLY 51 HA3 GLY 51 9.211 12.687 0.186 53 H ASN 52 H ASN 52 6.320 12.796 1.965 54 HA ASN 52 HA ASN 52 6.148 9.829 2.071 55 HB2 ASN 52 HB2 ASN 52 6.212 11.306 4.128 56 HB3 ASN 52 HB3 ASN 52 4.573 11.800 3.763 57 HD21 ASN 52 HD21 ASN 52 2.811 10.002 3.915 58 HD22 ASN 52 HD22 ASN 52 3.254 8.579 4.842 59 H ILE 53 H ILE 53 3.762 8.976 2.175 60 HA ILE 53 HA ILE 53 2.380 9.889 -0.325 61 HB ILE 53 HB ILE 53 2.156 7.292 1.214 62 HG12 ILE 53 HG12 ILE 53 3.591 8.025 -1.373 63 HG13 ILE 53 HG13 ILE 53 4.344 7.510 0.135 64 HG21 ILE 53 HG21 ILE 53 0.836 6.469 -0.708 65 HG22 ILE 53 HG22 ILE 53 0.040 7.856 0.009 66 HG23 ILE 53 HG23 ILE 53 0.974 8.038 -1.500 67 HD11 ILE 53 HD11 ILE 53 2.732 5.786 -1.756 68 HD12 ILE 53 HD12 ILE 53 4.451 5.700 -1.383 69 HD13 ILE 53 HD13 ILE 53 3.266 5.262 -0.133 70 H ASN 54 H ASN 54 0.168 10.329 -0.338 71 HA ASN 54 HA ASN 54 -0.608 11.873 1.976 72 HB2 ASN 54 HB2 ASN 54 -0.657 12.533 -0.487 73 HB3 ASN 54 HB3 ASN 54 -2.120 11.567 -0.643 74 HD21 ASN 54 HD21 ASN 54 -3.836 12.196 1.240 75 HD22 ASN 54 HD22 ASN 54 -3.977 13.936 1.528 76 H TRP 55 H TRP 55 -0.874 9.861 3.363 77 HA TRP 55 HA TRP 55 -2.983 8.057 2.950 78 HB2 TRP 55 HB2 TRP 55 -1.592 8.822 5.533 79 HB3 TRP 55 HB3 TRP 55 -2.529 7.359 5.269 80 HD1 TRP 55 HD1 TRP 55 0.760 7.951 5.848 81 HE1 TRP 55 HE1 TRP 55 2.410 6.411 4.611 82 HE3 TRP 55 HE3 TRP 55 -2.323 6.281 2.065 83 HZ2 TRP 55 HZ2 TRP 55 2.373 4.653 2.346 84 HZ3 TRP 55 HZ3 TRP 55 -1.478 4.682 0.410 85 HH2 TRP 55 HH2 TRP 55 0.851 3.839 0.539 86 H ASN 56 H ASN 56 -3.660 11.256 3.693 87 HA ASN 56 HA ASN 56 -6.196 10.552 5.082 88 HB2 ASN 56 HB2 ASN 56 -4.920 13.245 4.527 89 HB3 ASN 56 HB3 ASN 56 -6.429 12.985 5.419 90 HD21 ASN 56 HD21 ASN 56 -6.325 12.149 7.613 91 HD22 ASN 56 HD22 ASN 56 -4.766 12.093 8.432 92 H CYS 57 H CYS 57 -5.453 10.306 1.982 93 HA CYS 57 HA CYS 57 -7.583 11.771 0.676 94 HB2 CYS 57 HB2 CYS 57 -5.800 9.414 0.012 95 HB3 CYS 57 HB3 CYS 57 -7.097 9.898 -1.105 96 HG CYS 57 HG CYS 57 -4.939 10.946 -2.030 97 HA PRO 58 HA PRO 58 -11.172 9.339 1.544 98 HB2 PRO 58 HB2 PRO 58 -12.496 9.178 -0.881 99 HB3 PRO 58 HB3 PRO 58 -12.442 10.633 0.170 100 HG2 PRO 58 HG2 PRO 58 -10.715 10.013 -2.246 101 HG3 PRO 58 HG3 PRO 58 -11.545 11.541 -1.829 102 HD2 PRO 58 HD2 PRO 58 -8.919 11.184 -1.298 103 HD3 PRO 58 HD3 PRO 58 -9.967 12.057 -0.149 104 H CYS 59 H CYS 59 -9.951 8.183 -1.706 105 HA CYS 59 HA CYS 59 -10.505 5.407 -0.940 106 HB2 CYS 59 HB2 CYS 59 -10.888 6.286 -3.251 107 HB3 CYS 59 HB3 CYS 59 -9.148 6.575 -3.426 108 HG CYS 59 HG CYS 59 -10.763 3.705 -2.844 109 H LEU 60 H LEU 60 -7.499 7.075 -1.969 110 HA LEU 60 HA LEU 60 -5.748 4.998 -1.272 111 HB2 LEU 60 HB2 LEU 60 -5.289 6.892 -2.820 112 HB3 LEU 60 HB3 LEU 60 -5.236 7.990 -1.450 113 HG LEU 60 HG LEU 60 -3.227 6.680 -0.574 114 HD11 LEU 60 HD11 LEU 60 -2.009 5.259 -2.161 115 HD12 LEU 60 HD12 LEU 60 -3.281 5.477 -3.381 116 HD13 LEU 60 HD13 LEU 60 -3.622 4.580 -1.893 117 HD21 LEU 60 HD21 LEU 60 -1.668 7.733 -2.132 118 HD22 LEU 60 HD22 LEU 60 -2.998 8.826 -1.716 119 HD23 LEU 60 HD23 LEU 60 -2.991 8.001 -3.294 120 H GLY 61 H GLY 61 -7.203 7.283 0.970 121 HA2 GLY 61 HA2 GLY 61 -5.327 6.573 3.152 122 HA3 GLY 61 HA3 GLY 61 -6.760 7.622 3.261 123 H GLY 62 H GLY 62 -8.610 5.690 2.045 124 HA2 GLY 62 HA2 GLY 62 -9.357 4.127 4.366 125 HA3 GLY 62 HA3 GLY 62 -10.057 4.022 2.736 126 H MET 63 H MET 63 -8.038 3.235 1.166 127 HA MET 63 HA MET 63 -7.644 0.431 1.671 128 HB2 MET 63 HB2 MET 63 -6.100 2.289 -0.185 129 HB3 MET 63 HB3 MET 63 -6.129 0.525 -0.273 130 HG2 MET 63 HG2 MET 63 -8.542 2.352 -0.687 131 HG3 MET 63 HG3 MET 63 -7.578 1.613 -1.954 132 HE1 MET 63 HE1 MET 63 -10.735 1.458 -1.863 133 HE2 MET 63 HE2 MET 63 -9.663 0.818 -3.121 134 HE3 MET 63 HE3 MET 63 -10.922 -0.214 -2.415 135 H ALA 64 H ALA 64 -5.733 3.154 2.717 136 HA ALA 64 HA ALA 64 -3.374 1.549 3.460 137 HB1 ALA 64 HB1 ALA 64 -4.160 4.475 3.867 138 HB2 ALA 64 HB2 ALA 64 -2.579 3.788 4.245 139 HB3 ALA 64 HB3 ALA 64 -3.137 3.835 2.557 140 H SER 65 H SER 65 -6.372 1.653 4.811 141 HA SER 65 HA SER 65 -5.387 1.722 7.632 142 HB2 SER 65 HB2 SER 65 -8.122 2.418 6.513 143 HB3 SER 65 HB3 SER 65 -7.668 2.410 8.223 144 HG SER 65 HG SER 65 -6.665 4.112 6.165 145 H GLY 66 H GLY 66 -6.905 0.452 9.135 146 HA2 GLY 66 HA2 GLY 66 -7.916 -1.589 9.724 147 HA3 GLY 66 HA3 GLY 66 -7.808 -2.141 8.034 148 HA PRO 67 HA PRO 67 -4.531 -4.129 10.779 149 HB2 PRO 67 HB2 PRO 67 -5.070 -6.772 10.231 150 HB3 PRO 67 HB3 PRO 67 -5.913 -5.824 11.495 151 HG2 PRO 67 HG2 PRO 67 -6.840 -6.391 8.663 152 HG3 PRO 67 HG3 PRO 67 -7.773 -6.541 10.185 153 HD2 PRO 67 HD2 PRO 67 -7.954 -4.338 8.583 154 HD3 PRO 67 HD3 PRO 67 -8.019 -4.192 10.368 155 H CYS 68 H CYS 68 -5.487 -5.181 7.425 156 HA CYS 68 HA CYS 68 -2.771 -5.824 6.695 157 HB2 CYS 68 HB2 CYS 68 -5.104 -5.116 4.885 158 HB3 CYS 68 HB3 CYS 68 -3.623 -5.932 4.414 159 H GLY 69 H GLY 69 -3.900 -2.795 7.498 160 HA2 GLY 69 HA2 GLY 69 -3.253 -1.142 5.286 161 HA3 GLY 69 HA3 GLY 69 -3.414 -0.623 6.974 162 H GLU 70 H GLU 70 -1.040 -2.602 7.625 163 HA GLU 70 HA GLU 70 1.138 -0.757 6.938 164 HB2 GLU 70 HB2 GLU 70 2.633 -2.356 7.973 165 HB3 GLU 70 HB3 GLU 70 1.317 -1.859 9.031 166 HG2 GLU 70 HG2 GLU 70 0.184 -3.983 8.768 167 HG3 GLU 70 HG3 GLU 70 1.286 -4.469 7.469 168 H GLN 71 H GLN 71 -0.162 -3.749 5.475 169 HA GLN 71 HA GLN 71 2.173 -4.167 3.781 170 HB2 GLN 71 HB2 GLN 71 -0.619 -5.205 3.226 171 HB3 GLN 71 HB3 GLN 71 0.940 -5.882 2.743 172 HG2 GLN 71 HG2 GLN 71 -0.292 -5.894 5.523 173 HG3 GLN 71 HG3 GLN 71 -0.103 -7.263 4.447 174 HE21 GLN 71 HE21 GLN 71 0.867 -7.187 7.158 175 HE22 GLN 71 HE22 GLN 71 2.597 -7.202 7.061 176 H PHE 72 H PHE 72 -1.133 -2.762 3.253 177 HA PHE 72 HA PHE 72 -0.628 -1.997 0.550 178 HB2 PHE 72 HB2 PHE 72 -2.881 -2.071 1.625 179 HB3 PHE 72 HB3 PHE 72 -2.470 -0.651 2.575 180 HD1 PHE 72 HD1 PHE 72 -3.234 -1.933 -0.811 181 HD2 PHE 72 HD2 PHE 72 -2.280 1.578 1.489 182 HE1 PHE 72 HE1 PHE 72 -3.846 -0.502 -2.737 183 HE2 PHE 72 HE2 PHE 72 -2.927 3.007 -0.417 184 HZ PHE 72 HZ PHE 72 -3.690 1.977 -2.556 185 H LYS 73 H LYS 73 -0.092 -0.120 3.611 186 HA LYS 73 HA LYS 73 0.974 2.184 2.295 187 HB2 LYS 73 HB2 LYS 73 1.368 1.101 5.105 188 HB3 LYS 73 HB3 LYS 73 2.135 2.584 4.528 189 HG2 LYS 73 HG2 LYS 73 -0.132 3.449 3.865 190 HG3 LYS 73 HG3 LYS 73 -0.884 2.100 4.669 191 HD2 LYS 73 HD2 LYS 73 1.037 3.952 6.152 192 HD3 LYS 73 HD3 LYS 73 -0.623 4.416 5.843 193 HE2 LYS 73 HE2 LYS 73 -0.616 3.563 8.026 194 HE3 LYS 73 HE3 LYS 73 -1.439 2.372 7.016 195 HZ1 LYS 73 HZ1 LYS 73 0.510 1.032 7.060 196 HZ2 LYS 73 HZ2 LYS 73 0.171 1.432 8.626 197 HZ3 LYS 73 HZ3 LYS 73 1.419 2.164 7.817 198 H SER 74 H SER 74 2.688 -0.731 3.513 199 HA SER 74 HA SER 74 5.315 0.163 2.794 200 HB2 SER 74 HB2 SER 74 4.737 -1.633 4.433 201 HB3 SER 74 HB3 SER 74 4.270 -2.676 3.080 202 HG SER 74 HG SER 74 6.841 -1.632 3.708 203 H ALA 75 H ALA 75 2.989 -1.908 0.945 204 HA ALA 75 HA ALA 75 4.598 -2.426 -1.306 205 HB1 ALA 75 HB1 ALA 75 1.578 -2.045 -1.011 206 HB2 ALA 75 HB2 ALA 75 2.362 -2.825 -2.388 207 HB3 ALA 75 HB3 ALA 75 2.478 -3.556 -0.778 208 H PHE 76 H PHE 76 2.312 0.308 -0.828 209 HA PHE 76 HA PHE 76 3.042 1.641 -3.284 210 HB2 PHE 76 HB2 PHE 76 1.221 2.098 -1.010 211 HB3 PHE 76 HB3 PHE 76 1.994 3.569 -1.539 212 HD1 PHE 76 HD2 PHE 76 0.257 0.570 -3.007 213 HD2 PHE 76 HD1 PHE 76 0.981 4.814 -3.246 214 HE1 PHE 76 HE2 PHE 76 -1.349 0.744 -4.889 215 HE2 PHE 76 HE1 PHE 76 -0.631 4.977 -5.128 216 HZ PHE 76 HZ PHE 76 -1.788 2.948 -5.962 217 H SER 77 H SER 77 4.273 1.928 0.062 218 HA SER 77 HA SER 77 5.968 4.213 -0.342 219 HB2 SER 77 HB2 SER 77 5.405 3.488 1.878 220 HB3 SER 77 HB3 SER 77 6.019 1.863 1.568 221 HG SER 77 HG SER 77 7.720 4.141 1.592 222 H CYS 78 H CYS 78 6.706 0.705 -0.546 223 HA CYS 78 HA CYS 78 9.392 1.008 -1.486 224 HB2 CYS 78 HB2 CYS 78 8.531 -1.028 -0.442 225 HB3 CYS 78 HB3 CYS 78 7.385 -1.268 -1.754 226 H PHE 79 H PHE 79 6.278 0.643 -3.311 227 HA PHE 79 HA PHE 79 7.635 0.544 -5.844 228 HB2 PHE 79 HB2 PHE 79 5.397 -0.328 -5.641 229 HB3 PHE 79 HB3 PHE 79 4.780 1.230 -5.096 230 HD1 PHE 79 HD1 PHE 79 6.986 0.168 -7.999 231 HD2 PHE 79 HD2 PHE 79 3.407 2.224 -6.722 232 HE1 PHE 79 HE1 PHE 79 6.566 0.893 -10.327 233 HE2 PHE 79 HE2 PHE 79 3.011 2.962 -9.057 234 HZ PHE 79 HZ PHE 79 4.589 2.288 -10.867 235 H HIS 80 H HIS 80 6.124 3.312 -4.080 236 HA HIS 80 HA HIS 80 6.711 5.326 -6.001 237 HB2 HIS 80 HB2 HIS 80 5.238 5.727 -4.095 238 HB3 HIS 80 HB3 HIS 80 6.549 5.406 -2.961 239 HD1 HIS 80 HD1 HIS 80 7.530 7.731 -5.802 240 HD2 HIS 80 HD2 HIS 80 6.160 7.852 -1.840 241 HE1 HIS 80 HE1 HIS 80 7.767 10.148 -5.028 242 H TYR 81 H TYR 81 8.809 4.033 -3.348 243 HA TYR 81 HA TYR 81 10.961 5.858 -4.104 244 HB2 TYR 81 HB2 TYR 81 10.600 3.681 -2.032 245 HB3 TYR 81 HB3 TYR 81 12.171 4.381 -2.353 246 HD1 TYR 81 HD1 TYR 81 8.733 5.998 -2.043 247 HD2 TYR 81 HD2 TYR 81 12.791 5.765 -0.596 248 HE1 TYR 81 HE1 TYR 81 8.325 7.964 -0.613 249 HE2 TYR 81 HE2 TYR 81 12.348 7.702 0.904 250 HH TYR 81 HH TYR 81 9.220 9.463 0.819 251 H SER 82 H SER 82 10.049 2.651 -5.152 252 HA SER 82 HA SER 82 12.653 2.046 -6.368 253 HB2 SER 82 HB2 SER 82 11.170 0.230 -5.675 254 HB3 SER 82 HB3 SER 82 9.870 0.866 -6.700 255 HG SER 82 HG SER 82 12.240 -0.480 -7.515 256 H THR 83 H THR 83 9.663 3.582 -7.498 257 HA THR 83 HA THR 83 9.013 4.727 -9.304 258 HB THR 83 HB THR 83 10.517 6.221 -10.449 259 HG1 THR 83 HG1 THR 83 12.722 6.211 -9.851 260 HG21 THR 83 HG21 THR 83 9.711 6.834 -8.201 261 HG22 THR 83 HG22 THR 83 11.310 7.505 -8.538 262 HG23 THR 83 HG23 THR 83 11.150 6.098 -7.468 263 H GLU 84 H GLU 84 11.184 2.291 -10.040 264 HA GLU 84 HA GLU 84 11.895 1.838 -12.395 265 HB2 GLU 84 HB2 GLU 84 10.291 0.059 -10.580 266 HB3 GLU 84 HB3 GLU 84 10.439 -0.518 -12.216 267 HG2 GLU 84 HG2 GLU 84 12.879 0.435 -10.705 268 HG3 GLU 84 HG3 GLU 84 12.233 -1.195 -10.523 269 H GLU 85 H GLU 85 8.341 1.275 -12.101 270 HA GLU 85 HA GLU 85 7.262 2.304 -14.368 271 HB2 GLU 85 HB2 GLU 85 8.967 -0.051 -15.137 272 HB3 GLU 85 HB3 GLU 85 7.343 -0.049 -15.797 273 HG2 GLU 85 HG2 GLU 85 7.594 1.839 -17.074 274 HG3 GLU 85 HG3 GLU 85 8.951 2.460 -16.166 275 H ILE 86 H ILE 86 7.353 -1.218 -13.696 276 HA ILE 86 HA ILE 86 4.443 -1.268 -13.570 277 HB ILE 86 HB ILE 86 6.421 -3.534 -13.055 278 HG12 ILE 86 HG12 ILE 86 5.062 -2.683 -15.658 279 HG13 ILE 86 HG13 ILE 86 6.780 -2.519 -15.289 280 HG21 ILE 86 HG21 ILE 86 3.457 -3.601 -13.786 281 HG22 ILE 86 HG22 ILE 86 4.509 -5.017 -13.596 282 HG23 ILE 86 HG23 ILE 86 4.150 -4.020 -12.204 283 HD11 ILE 86 HD11 ILE 86 6.950 -5.014 -15.069 284 HD12 ILE 86 HD12 ILE 86 5.290 -5.114 -15.711 285 HD13 ILE 86 HD13 ILE 86 6.577 -4.401 -16.692 286 H LYS 87 H LYS 87 3.121 -1.393 -11.880 287 HA LYS 87 HA LYS 87 3.728 -0.543 -9.291 288 HB2 LYS 87 HB2 LYS 87 1.439 -2.154 -10.453 289 HB3 LYS 87 HB3 LYS 87 1.580 -1.966 -8.712 290 HG2 LYS 87 HG2 LYS 87 0.134 -0.309 -9.310 291 HG3 LYS 87 HG3 LYS 87 1.641 0.526 -8.990 292 HD2 LYS 87 HD2 LYS 87 2.058 0.755 -11.412 293 HD3 LYS 87 HD3 LYS 87 0.594 -0.179 -11.779 294 HE2 LYS 87 HE2 LYS 87 0.623 2.429 -10.195 295 HE3 LYS 87 HE3 LYS 87 0.338 2.345 -11.936 296 HZ1 LYS 87 HZ1 LYS 87 -1.660 1.094 -11.550 297 HZ2 LYS 87 HZ2 LYS 87 -1.696 2.423 -10.567 298 HZ3 LYS 87 HZ3 LYS 87 -1.375 0.942 -9.948 299 H GLY 88 H GLY 88 5.387 -1.384 -8.211 300 HA2 GLY 88 HA2 GLY 88 6.275 -2.732 -6.571 301 HA3 GLY 88 HA3 GLY 88 4.990 -3.940 -6.845 302 H SER 89 H SER 89 7.018 -2.950 -9.589 303 HA SER 89 HA SER 89 7.735 -5.501 -10.337 304 HB2 SER 89 HB2 SER 89 9.401 -4.573 -11.750 305 HB3 SER 89 HB3 SER 89 8.158 -3.325 -11.600 306 HG SER 89 HG SER 89 10.733 -3.419 -10.357 307 H ASP 90 H ASP 90 9.808 -3.484 -8.234 308 HA ASP 90 HA ASP 90 11.646 -5.713 -7.687 309 HB2 ASP 90 HB2 ASP 90 11.426 -2.895 -6.542 310 HB3 ASP 90 HB3 ASP 90 12.748 -4.015 -6.234 311 H CYS 91 H CYS 91 8.816 -4.377 -6.334 312 HA CYS 91 HA CYS 91 9.356 -5.042 -3.516 313 HB2 CYS 91 HB2 CYS 91 7.035 -3.605 -4.849 314 HB3 CYS 91 HB3 CYS 91 7.365 -3.622 -3.121 315 H VAL 92 H VAL 92 8.242 -6.980 -5.784 316 HA VAL 92 HA VAL 92 5.754 -7.833 -5.490 317 HB VAL 92 HB VAL 92 8.055 -9.822 -5.613 318 HG11 VAL 92 HG11 VAL 92 5.914 -11.005 -5.354 319 HG12 VAL 92 HG12 VAL 92 5.184 -10.020 -6.645 320 HG13 VAL 92 HG13 VAL 92 6.482 -11.176 -7.016 321 HG21 VAL 92 HG21 VAL 92 8.401 -8.080 -7.298 322 HG22 VAL 92 HG22 VAL 92 7.872 -9.565 -8.086 323 HG23 VAL 92 HG23 VAL 92 6.717 -8.238 -7.847 324 H ASP 93 H ASP 93 8.220 -8.767 -3.078 325 HA ASP 93 HA ASP 93 6.949 -10.580 -1.412 326 HB2 ASP 93 HB2 ASP 93 9.164 -10.008 -0.946 327 HB3 ASP 93 HB3 ASP 93 8.853 -8.269 -1.043 328 H GLN 94 H GLN 94 6.816 -7.082 -0.743 329 HA GLN 94 HA GLN 94 4.798 -7.232 1.224 330 HB2 GLN 94 HB2 GLN 94 5.480 -4.792 -0.496 331 HB3 GLN 94 HB3 GLN 94 4.625 -4.808 1.030 332 HG2 GLN 94 HG2 GLN 94 6.573 -4.394 1.995 333 HG3 GLN 94 HG3 GLN 94 6.894 -6.094 1.828 334 HE21 GLN 94 HE21 GLN 94 7.260 -5.207 -1.389 335 HE22 GLN 94 HE22 GLN 94 8.926 -4.638 -1.232 336 H PHE 95 H PHE 95 4.432 -6.745 -2.287 337 HA PHE 95 HA PHE 95 1.591 -6.165 -2.239 338 HB2 PHE 95 HB2 PHE 95 3.542 -7.182 -4.347 339 HB3 PHE 95 HB3 PHE 95 1.825 -7.069 -4.659 340 HD1 PHE 95 HD2 PHE 95 4.756 -4.966 -3.585 341 HD2 PHE 95 HD1 PHE 95 0.840 -5.046 -5.377 342 HE1 PHE 95 HE2 PHE 95 4.981 -2.568 -4.184 343 HE2 PHE 95 HE1 PHE 95 1.071 -2.657 -5.982 344 HZ PHE 95 HZ PHE 95 3.135 -1.407 -5.380 345 H ARG 96 H ARG 96 3.490 -9.213 -2.573 346 HA ARG 96 HA ARG 96 1.165 -10.899 -2.741 347 HB2 ARG 96 HB2 ARG 96 3.508 -11.337 -3.581 348 HB3 ARG 96 HB3 ARG 96 3.986 -11.719 -1.928 349 HG2 ARG 96 HG2 ARG 96 2.603 -13.677 -1.897 350 HG3 ARG 96 HG3 ARG 96 1.619 -13.091 -3.243 351 HD2 ARG 96 HD2 ARG 96 2.939 -14.852 -4.112 352 HD3 ARG 96 HD3 ARG 96 3.571 -13.343 -4.784 353 HE ARG 96 HE ARG 96 4.974 -14.201 -2.375 354 HH11 ARG 96 HH11 ARG 96 5.054 -14.689 -5.941 355 HH12 ARG 96 HH12 ARG 96 6.634 -15.418 -5.788 356 HH21 ARG 96 HH21 ARG 96 6.889 -15.144 -2.394 357 HH22 ARG 96 HH22 ARG 96 7.664 -15.606 -3.918 358 H ALA 97 H ALA 97 3.088 -9.725 0.027 359 HA ALA 97 HA ALA 97 1.714 -11.247 2.058 360 HB1 ALA 97 HB1 ALA 97 3.107 -8.538 2.254 361 HB2 ALA 97 HB2 ALA 97 2.705 -9.618 3.598 362 HB3 ALA 97 HB3 ALA 97 3.905 -10.120 2.391 363 H MET 98 H MET 98 1.115 -7.905 0.795 364 HA MET 98 HA MET 98 -1.260 -7.333 2.227 365 HB2 MET 98 HB2 MET 98 -0.004 -5.780 0.626 366 HB3 MET 98 HB3 MET 98 -0.727 -6.664 -0.699 367 HG2 MET 98 HG2 MET 98 -2.949 -6.037 0.890 368 HG3 MET 98 HG3 MET 98 -1.899 -4.648 1.095 369 HE1 MET 98 HE1 MET 98 -4.145 -6.759 -1.146 370 HE2 MET 98 HE2 MET 98 -3.961 -6.073 -2.776 371 HE3 MET 98 HE3 MET 98 -2.645 -7.035 -2.080 372 H GLN 99 H GLN 99 -0.937 -9.163 -0.873 373 HA GLN 99 HA GLN 99 -3.792 -9.602 -0.943 374 HB2 GLN 99 HB2 GLN 99 -1.666 -9.774 -2.777 375 HB3 GLN 99 HB3 GLN 99 -2.285 -11.408 -2.678 376 HG2 GLN 99 HG2 GLN 99 -4.449 -10.757 -3.430 377 HG3 GLN 99 HG3 GLN 99 -4.206 -9.061 -2.957 378 HE21 GLN 99 HE21 GLN 99 -3.350 -11.459 -5.491 379 HE22 GLN 99 HE22 GLN 99 -2.802 -10.202 -6.607 380 H GLU 100 H GLU 100 -1.176 -11.720 0.388 381 HA GLU 100 HA GLU 100 -3.077 -13.820 0.906 382 HB2 GLU 100 HB2 GLU 100 -1.447 -14.985 1.954 383 HB3 GLU 100 HB3 GLU 100 -0.556 -14.046 0.789 384 HG2 GLU 100 HG2 GLU 100 0.808 -13.357 2.417 385 HG3 GLU 100 HG3 GLU 100 -0.497 -12.489 3.188 386 H CYS 101 H CYS 101 -2.243 -10.889 2.665 387 HA CYS 101 HA CYS 101 -3.786 -11.454 5.038 388 HB2 CYS 101 HB2 CYS 101 -1.973 -9.762 4.799 389 HB3 CYS 101 HB3 CYS 101 -3.022 -8.784 3.802 390 H MET 102 H MET 102 -4.542 -9.434 2.183 391 HA MET 102 HA MET 102 -7.288 -9.039 3.023 392 HB2 MET 102 HB2 MET 102 -5.872 -8.309 0.420 393 HB3 MET 102 HB3 MET 102 -7.491 -7.777 0.895 394 HG2 MET 102 HG2 MET 102 -6.513 -6.793 2.989 395 HG3 MET 102 HG3 MET 102 -4.914 -7.201 2.382 396 HE1 MET 102 HE1 MET 102 -8.236 -5.366 1.150 397 HE2 MET 102 HE2 MET 102 -7.622 -4.614 2.650 398 HE3 MET 102 HE3 MET 102 -7.583 -3.708 1.124 399 H GLN 103 H GLN 103 -6.060 -11.832 1.539 400 HA GLN 103 HA GLN 103 -8.704 -12.415 0.266 401 HB2 GLN 103 HB2 GLN 103 -7.775 -14.484 -0.434 402 HB3 GLN 103 HB3 GLN 103 -6.602 -13.222 -0.797 403 HG2 GLN 103 HG2 GLN 103 -5.339 -13.846 1.265 404 HG3 GLN 103 HG3 GLN 103 -6.513 -15.119 1.596 405 HE21 GLN 103 HE21 GLN 103 -4.546 -16.512 1.611 406 HE22 GLN 103 HE22 GLN 103 -3.981 -17.106 0.059 407 H LYS 104 H LYS 104 -7.326 -12.538 3.424 408 HA LYS 104 HA LYS 104 -9.112 -14.762 4.314 409 HB2 LYS 104 HB2 LYS 104 -6.871 -13.251 5.724 410 HB3 LYS 104 HB3 LYS 104 -7.757 -14.631 6.391 411 HG2 LYS 104 HG2 LYS 104 -6.936 -16.090 4.569 412 HG3 LYS 104 HG3 LYS 104 -6.045 -14.741 3.880 413 HD2 LYS 104 HD2 LYS 104 -5.513 -16.122 6.530 414 HD3 LYS 104 HD3 LYS 104 -4.504 -16.084 5.070 415 HE2 LYS 104 HE2 LYS 104 -4.521 -13.480 5.431 416 HE3 LYS 104 HE3 LYS 104 -5.007 -13.885 7.085 417 HZ1 LYS 104 HZ1 LYS 104 -2.640 -13.829 7.086 418 HZ2 LYS 104 HZ2 LYS 104 -2.514 -14.640 5.674 419 HZ3 LYS 104 HZ3 LYS 104 -2.991 -15.444 7.007 420 H TYR 105 H TYR 105 -9.108 -11.342 4.277 421 HA TYR 105 HA TYR 105 -11.125 -11.240 6.485 422 HB2 TYR 105 HB2 TYR 105 -9.094 -9.176 5.613 423 HB3 TYR 105 HB3 TYR 105 -10.360 -8.912 6.798 424 HD1 TYR 105 HD1 TYR 105 -9.965 -11.754 8.226 425 HD2 TYR 105 HD2 TYR 105 -7.324 -8.542 7.069 426 HE1 TYR 105 HE1 TYR 105 -8.450 -12.334 10.081 427 HE2 TYR 105 HE2 TYR 105 -5.818 -9.105 8.966 428 HH TYR 105 HH TYR 105 -6.487 -11.878 11.136 429 HA PRO 106 HA PRO 106 -13.516 -9.657 2.968 430 HB2 PRO 106 HB2 PRO 106 -16.038 -9.889 4.001 431 HB3 PRO 106 HB3 PRO 106 -15.081 -11.280 3.403 432 HG2 PRO 106 HG2 PRO 106 -15.448 -10.367 6.269 433 HG3 PRO 106 HG3 PRO 106 -15.530 -12.025 5.607 434 HD2 PRO 106 HD2 PRO 106 -13.282 -11.013 6.811 435 HD3 PRO 106 HD3 PRO 106 -13.200 -12.202 5.487 436 H ASP 107 H ASP 107 -14.628 -8.603 6.230 437 HA ASP 107 HA ASP 107 -14.249 -5.755 5.679 438 HB2 ASP 107 HB2 ASP 107 -16.699 -7.103 4.865 439 HB3 ASP 107 HB3 ASP 107 -17.076 -5.977 6.139 440 H LEU 108 H LEU 108 -14.066 -8.047 7.923 441 HA LEU 108 HA LEU 108 -15.740 -7.181 10.054 442 HB2 LEU 108 HB2 LEU 108 -14.715 -8.835 11.356 443 HB3 LEU 108 HB3 LEU 108 -14.843 -9.458 9.736 444 HG LEU 108 HG LEU 108 -12.840 -10.253 10.601 445 HD11 LEU 108 HD11 LEU 108 -12.605 -9.436 8.274 446 HD12 LEU 108 HD12 LEU 108 -11.080 -9.427 9.175 447 HD13 LEU 108 HD13 LEU 108 -11.935 -7.909 8.892 448 HD21 LEU 108 HD21 LEU 108 -11.800 -7.504 11.358 449 HD22 LEU 108 HD22 LEU 108 -11.075 -9.082 11.676 450 HD23 LEU 108 HD23 LEU 108 -12.578 -8.630 12.496 451 H TYR 109 H TYR 109 -13.123 -5.551 8.917 452 HA TYR 109 HA TYR 109 -11.486 -4.715 10.941 453 HB2 TYR 109 HB2 TYR 109 -12.581 -2.844 8.817 454 HB3 TYR 109 HB3 TYR 109 -10.946 -2.912 9.467 455 HD1 TYR 109 HD2 TYR 109 -9.963 -5.518 9.159 456 HD2 TYR 109 HD1 TYR 109 -12.770 -3.525 6.577 457 HE1 TYR 109 HE2 TYR 109 -9.163 -6.875 7.221 458 HE2 TYR 109 HE1 TYR 109 -12.029 -4.929 4.670 459 HH TYR 109 HH TYR 109 -10.618 -6.613 3.989 Start of MODEL 5 1 H GLY 45 H GLY 45 -1.475 16.566 -4.887 2 HA2 GLY 45 HA2 GLY 45 -3.492 14.980 -3.435 3 HA3 GLY 45 HA3 GLY 45 -3.370 15.084 -5.205 4 H LEU 46 H LEU 46 -3.067 12.752 -3.382 5 HA LEU 46 HA LEU 46 -2.047 10.768 -3.424 6 HB2 LEU 46 HB2 LEU 46 -2.098 11.127 -5.848 7 HB3 LEU 46 HB3 LEU 46 -0.525 11.918 -5.795 8 HG LEU 46 HG LEU 46 0.541 9.814 -5.064 9 HD11 LEU 46 HD11 LEU 46 -1.222 8.652 -3.902 10 HD12 LEU 46 HD12 LEU 46 -0.714 7.666 -5.270 11 HD13 LEU 46 HD13 LEU 46 -2.228 8.594 -5.373 12 HD21 LEU 46 HD21 LEU 46 0.389 8.672 -7.208 13 HD22 LEU 46 HD22 LEU 46 0.369 10.423 -7.463 14 HD23 LEU 46 HD23 LEU 46 -1.141 9.487 -7.575 15 H ILE 47 H ILE 47 0.591 13.158 -3.866 16 HA ILE 47 HA ILE 47 2.318 11.594 -1.949 17 HB ILE 47 HB ILE 47 3.060 13.339 -4.332 18 HG12 ILE 47 HG12 ILE 47 2.286 11.267 -5.203 19 HG13 ILE 47 HG13 ILE 47 4.031 11.230 -5.279 20 HG21 ILE 47 HG21 ILE 47 4.809 13.635 -2.751 21 HG22 ILE 47 HG22 ILE 47 4.892 11.896 -2.379 22 HG23 ILE 47 HG23 ILE 47 5.402 12.510 -3.959 23 HD11 ILE 47 HD11 ILE 47 3.301 9.065 -4.548 24 HD12 ILE 47 HD12 ILE 47 4.022 9.846 -3.127 25 HD13 ILE 47 HD13 ILE 47 2.257 9.743 -3.295 26 H LEU 48 H LEU 48 3.431 12.635 -0.379 27 HA LEU 48 HA LEU 48 2.535 15.343 0.438 28 HB2 LEU 48 HB2 LEU 48 4.108 13.073 1.713 29 HB3 LEU 48 HB3 LEU 48 4.109 14.651 2.434 30 HG LEU 48 HG LEU 48 1.509 13.158 1.860 31 HD11 LEU 48 HD11 LEU 48 2.930 11.785 3.350 32 HD12 LEU 48 HD12 LEU 48 1.553 12.451 4.220 33 HD13 LEU 48 HD13 LEU 48 3.165 13.167 4.442 34 HD21 LEU 48 HD21 LEU 48 2.282 15.508 3.704 35 HD22 LEU 48 HD22 LEU 48 0.703 14.708 3.702 36 HD23 LEU 48 HD23 LEU 48 1.238 15.573 2.265 37 HA PRO 49 HA PRO 49 6.214 17.232 -1.172 38 HB2 PRO 49 HB2 PRO 49 6.630 19.382 0.486 39 HB3 PRO 49 HB3 PRO 49 5.239 19.253 -0.640 40 HG2 PRO 49 HG2 PRO 49 5.310 18.534 2.313 41 HG3 PRO 49 HG3 PRO 49 4.128 19.583 1.462 42 HD2 PRO 49 HD2 PRO 49 3.597 16.972 1.949 43 HD3 PRO 49 HD3 PRO 49 3.112 17.720 0.404 44 H ASN 50 H ASN 50 6.400 15.406 1.574 45 HA ASN 50 HA ASN 50 9.314 15.801 2.007 46 HB2 ASN 50 HB2 ASN 50 8.950 14.163 3.874 47 HB3 ASN 50 HB3 ASN 50 8.126 15.697 4.053 48 HD21 ASN 50 HD21 ASN 50 6.189 15.333 5.069 49 HD22 ASN 50 HD22 ASN 50 5.089 14.030 4.633 50 H GLY 51 H GLY 51 7.132 13.870 0.146 51 HA2 GLY 51 HA2 GLY 51 7.951 12.500 -1.611 52 HA3 GLY 51 HA3 GLY 51 9.305 11.949 -0.596 53 H ASN 52 H ASN 52 6.809 11.688 1.507 54 HA ASN 52 HA ASN 52 6.312 8.859 0.928 55 HB2 ASN 52 HB2 ASN 52 6.709 9.841 3.228 56 HB3 ASN 52 HB3 ASN 52 5.122 10.614 3.105 57 HD21 ASN 52 HD21 ASN 52 5.323 9.171 5.258 58 HD22 ASN 52 HD22 ASN 52 4.610 7.574 5.112 59 H ILE 53 H ILE 53 3.960 8.116 1.098 60 HA ILE 53 HA ILE 53 2.233 9.570 -0.836 61 HB ILE 53 HB ILE 53 2.087 6.872 0.495 62 HG12 ILE 53 HG12 ILE 53 2.234 7.464 -2.481 63 HG13 ILE 53 HG13 ILE 53 3.697 7.416 -1.509 64 HG21 ILE 53 HG21 ILE 53 -0.245 7.616 0.233 65 HG22 ILE 53 HG22 ILE 53 0.064 8.068 -1.460 66 HG23 ILE 53 HG23 ILE 53 0.101 6.372 -0.951 67 HD11 ILE 53 HD11 ILE 53 3.317 5.280 -2.575 68 HD12 ILE 53 HD12 ILE 53 3.221 5.120 -0.805 69 HD13 ILE 53 HD13 ILE 53 1.737 5.125 -1.780 70 H ASN 54 H ASN 54 0.153 10.252 -0.404 71 HA ASN 54 HA ASN 54 -0.176 11.343 2.312 72 HB2 ASN 54 HB2 ASN 54 -0.242 12.826 0.303 73 HB3 ASN 54 HB3 ASN 54 -1.717 12.000 -0.228 74 HD21 ASN 54 HD21 ASN 54 -3.709 12.464 0.929 75 HD22 ASN 54 HD22 ASN 54 -3.746 13.711 2.188 76 H TRP 55 H TRP 55 -0.705 9.404 3.309 77 HA TRP 55 HA TRP 55 -2.873 7.720 2.622 78 HB2 TRP 55 HB2 TRP 55 -1.458 8.052 5.282 79 HB3 TRP 55 HB3 TRP 55 -2.358 6.640 4.747 80 HD1 TRP 55 HD1 TRP 55 1.062 7.885 4.950 81 HE1 TRP 55 HE1 TRP 55 2.688 6.575 3.465 82 HE3 TRP 55 HE3 TRP 55 -2.318 5.447 1.959 83 HZ2 TRP 55 HZ2 TRP 55 2.539 4.379 1.592 84 HZ3 TRP 55 HZ3 TRP 55 -1.536 3.733 0.353 85 HH2 TRP 55 HH2 TRP 55 0.869 3.151 0.194 86 H ASN 56 H ASN 56 -3.673 10.610 3.066 87 HA ASN 56 HA ASN 56 -6.044 10.077 4.814 88 HB2 ASN 56 HB2 ASN 56 -4.035 11.660 5.678 89 HB3 ASN 56 HB3 ASN 56 -4.919 12.863 4.804 90 HD21 ASN 56 HD21 ASN 56 -7.472 12.778 5.340 91 HD22 ASN 56 HD22 ASN 56 -7.830 12.423 7.034 92 H CYS 57 H CYS 57 -5.578 10.064 1.844 93 HA CYS 57 HA CYS 57 -7.460 12.103 0.795 94 HB2 CYS 57 HB2 CYS 57 -5.719 9.892 -0.369 95 HB3 CYS 57 HB3 CYS 57 -6.976 10.639 -1.370 96 HG CYS 57 HG CYS 57 -6.150 13.154 -0.926 97 HA PRO 58 HA PRO 58 -11.167 10.068 1.346 98 HB2 PRO 58 HB2 PRO 58 -12.449 9.886 -1.159 99 HB3 PRO 58 HB3 PRO 58 -12.389 11.306 -0.065 100 HG2 PRO 58 HG2 PRO 58 -10.591 10.690 -2.408 101 HG3 PRO 58 HG3 PRO 58 -11.355 12.250 -1.974 102 HD2 PRO 58 HD2 PRO 58 -8.781 11.799 -1.370 103 HD3 PRO 58 HD3 PRO 58 -9.849 12.550 -0.148 104 H CYS 59 H CYS 59 -10.427 8.504 -1.852 105 HA CYS 59 HA CYS 59 -11.126 5.879 -0.825 106 HB2 CYS 59 HB2 CYS 59 -9.797 6.740 -3.443 107 HB3 CYS 59 HB3 CYS 59 -10.515 5.159 -3.117 108 HG CYS 59 HG CYS 59 -12.959 5.888 -2.893 109 H LEU 60 H LEU 60 -8.058 7.263 -2.037 110 HA LEU 60 HA LEU 60 -6.333 5.126 -1.587 111 HB2 LEU 60 HB2 LEU 60 -5.764 7.051 -2.933 112 HB3 LEU 60 HB3 LEU 60 -5.965 8.133 -1.587 113 HG LEU 60 HG LEU 60 -3.948 7.103 -0.458 114 HD11 LEU 60 HD11 LEU 60 -2.410 5.772 -1.859 115 HD12 LEU 60 HD12 LEU 60 -3.585 5.752 -3.196 116 HD13 LEU 60 HD13 LEU 60 -3.940 4.924 -1.664 117 HD21 LEU 60 HD21 LEU 60 -3.822 9.215 -1.694 118 HD22 LEU 60 HD22 LEU 60 -3.540 8.346 -3.215 119 HD23 LEU 60 HD23 LEU 60 -2.349 8.279 -1.889 120 H GLY 61 H GLY 61 -7.398 7.494 0.914 121 HA2 GLY 61 HA2 GLY 61 -5.225 6.764 2.728 122 HA3 GLY 61 HA3 GLY 61 -6.598 7.858 3.064 123 H GLY 62 H GLY 62 -8.732 6.064 2.505 124 HA2 GLY 62 HA2 GLY 62 -8.857 4.561 4.975 125 HA3 GLY 62 HA3 GLY 62 -10.028 4.477 3.633 126 H MET 63 H MET 63 -8.086 3.671 1.617 127 HA MET 63 HA MET 63 -7.997 0.842 1.991 128 HB2 MET 63 HB2 MET 63 -8.014 2.092 -0.183 129 HB3 MET 63 HB3 MET 63 -6.333 2.551 0.087 130 HG2 MET 63 HG2 MET 63 -5.676 0.175 0.070 131 HG3 MET 63 HG3 MET 63 -7.367 -0.316 -0.070 132 HE1 MET 63 HE1 MET 63 -4.939 -1.285 -1.902 133 HE2 MET 63 HE2 MET 63 -6.625 -1.877 -1.999 134 HE3 MET 63 HE3 MET 63 -5.776 -1.342 -3.473 135 H ALA 64 H ALA 64 -5.768 3.235 3.202 136 HA ALA 64 HA ALA 64 -3.764 1.135 3.861 137 HB1 ALA 64 HB1 ALA 64 -2.293 3.007 4.344 138 HB2 ALA 64 HB2 ALA 64 -2.992 3.213 2.734 139 HB3 ALA 64 HB3 ALA 64 -3.620 4.169 4.101 140 H SER 65 H SER 65 -6.556 1.960 5.245 141 HA SER 65 HA SER 65 -5.543 2.149 8.032 142 HB2 SER 65 HB2 SER 65 -8.347 2.321 6.859 143 HB3 SER 65 HB3 SER 65 -7.992 2.297 8.597 144 HG SER 65 HG SER 65 -8.243 4.421 7.634 145 H GLY 66 H GLY 66 -6.549 0.649 9.641 146 HA2 GLY 66 HA2 GLY 66 -7.441 -1.367 10.382 147 HA3 GLY 66 HA3 GLY 66 -7.745 -1.838 8.696 148 HA PRO 67 HA PRO 67 -4.399 -4.312 10.812 149 HB2 PRO 67 HB2 PRO 67 -5.343 -6.853 10.345 150 HB3 PRO 67 HB3 PRO 67 -5.963 -5.792 11.653 151 HG2 PRO 67 HG2 PRO 67 -7.140 -6.200 8.890 152 HG3 PRO 67 HG3 PRO 67 -7.984 -6.290 10.474 153 HD2 PRO 67 HD2 PRO 67 -8.039 -4.032 8.971 154 HD3 PRO 67 HD3 PRO 67 -7.884 -3.939 10.744 155 H CYS 68 H CYS 68 -5.632 -4.584 7.487 156 HA CYS 68 HA CYS 68 -3.053 -5.777 6.602 157 HB2 CYS 68 HB2 CYS 68 -5.563 -5.091 5.034 158 HB3 CYS 68 HB3 CYS 68 -4.135 -5.904 4.398 159 H GLY 69 H GLY 69 -4.046 -2.718 7.389 160 HA2 GLY 69 HA2 GLY 69 -3.670 -1.121 5.106 161 HA3 GLY 69 HA3 GLY 69 -3.516 -0.583 6.782 162 H GLU 70 H GLU 70 -1.300 -1.597 7.780 163 HA GLU 70 HA GLU 70 0.963 -0.530 6.723 164 HB2 GLU 70 HB2 GLU 70 0.380 -2.757 8.626 165 HB3 GLU 70 HB3 GLU 70 2.005 -2.724 7.969 166 HG2 GLU 70 HG2 GLU 70 1.988 -1.512 10.033 167 HG3 GLU 70 HG3 GLU 70 2.359 -0.426 8.692 168 H GLN 71 H GLN 71 -0.501 -3.433 5.325 169 HA GLN 71 HA GLN 71 2.005 -4.273 4.003 170 HB2 GLN 71 HB2 GLN 71 -0.826 -5.003 3.182 171 HB3 GLN 71 HB3 GLN 71 0.655 -5.827 2.803 172 HG2 GLN 71 HG2 GLN 71 -0.636 -5.669 5.565 173 HG3 GLN 71 HG3 GLN 71 -0.720 -7.041 4.448 174 HE21 GLN 71 HE21 GLN 71 0.108 -7.985 6.637 175 HE22 GLN 71 HE22 GLN 71 1.870 -8.147 6.726 176 H PHE 72 H PHE 72 -1.034 -2.592 3.004 177 HA PHE 72 HA PHE 72 -0.116 -1.871 0.394 178 HB2 PHE 72 HB2 PHE 72 -2.485 -1.923 1.086 179 HB3 PHE 72 HB3 PHE 72 -2.206 -0.600 2.203 180 HD1 PHE 72 HD2 PHE 72 -1.237 -1.125 -1.435 181 HD2 PHE 72 HD1 PHE 72 -3.365 1.264 1.443 182 HE1 PHE 72 HE2 PHE 72 -1.826 0.508 -3.207 183 HE2 PHE 72 HE1 PHE 72 -3.976 2.866 -0.337 184 HZ PHE 72 HZ PHE 72 -3.183 2.511 -2.667 185 H LYS 73 H LYS 73 0.161 -0.165 3.569 186 HA LYS 73 HA LYS 73 1.318 2.249 2.764 187 HB2 LYS 73 HB2 LYS 73 2.050 0.458 5.099 188 HB3 LYS 73 HB3 LYS 73 2.663 2.096 4.922 189 HG2 LYS 73 HG2 LYS 73 -0.307 1.465 5.214 190 HG3 LYS 73 HG3 LYS 73 0.791 1.772 6.549 191 HD2 LYS 73 HD2 LYS 73 1.340 4.014 5.411 192 HD3 LYS 73 HD3 LYS 73 -0.012 3.660 4.328 193 HE2 LYS 73 HE2 LYS 73 -0.848 5.071 6.066 194 HE3 LYS 73 HE3 LYS 73 -1.519 3.458 6.366 195 HZ1 LYS 73 HZ1 LYS 73 0.931 4.469 7.690 196 HZ2 LYS 73 HZ2 LYS 73 0.033 3.171 8.148 197 HZ3 LYS 73 HZ3 LYS 73 -0.553 4.713 8.329 198 H SER 74 H SER 74 3.075 -0.743 3.505 199 HA SER 74 HA SER 74 5.698 0.252 2.755 200 HB2 SER 74 HB2 SER 74 4.968 -1.630 4.400 201 HB3 SER 74 HB3 SER 74 4.823 -2.662 2.987 202 HG SER 74 HG SER 74 7.121 -1.268 3.914 203 H ALA 75 H ALA 75 3.327 -1.899 1.065 204 HA ALA 75 HA ALA 75 4.797 -2.550 -1.209 205 HB1 ALA 75 HB1 ALA 75 2.536 -2.931 -2.193 206 HB2 ALA 75 HB2 ALA 75 2.608 -3.538 -0.533 207 HB3 ALA 75 HB3 ALA 75 1.824 -1.999 -0.884 208 H PHE 76 H PHE 76 2.472 0.187 -0.999 209 HA PHE 76 HA PHE 76 3.197 1.026 -3.680 210 HB2 PHE 76 HB2 PHE 76 0.949 1.271 -2.105 211 HB3 PHE 76 HB3 PHE 76 1.605 2.880 -1.992 212 HD1 PHE 76 HD1 PHE 76 0.512 0.211 -4.341 213 HD2 PHE 76 HD2 PHE 76 1.420 4.398 -3.915 214 HE1 PHE 76 HE1 PHE 76 -0.511 0.666 -6.544 215 HE2 PHE 76 HE2 PHE 76 0.393 4.845 -6.114 216 HZ PHE 76 HZ PHE 76 -0.603 3.001 -7.430 217 H SER 77 H SER 77 4.163 2.117 -0.424 218 HA SER 77 HA SER 77 5.642 4.460 -1.285 219 HB2 SER 77 HB2 SER 77 4.980 3.919 1.069 220 HB3 SER 77 HB3 SER 77 6.212 2.658 1.090 221 HG SER 77 HG SER 77 6.956 4.700 1.898 222 H CYS 78 H CYS 78 6.691 1.001 -0.819 223 HA CYS 78 HA CYS 78 9.392 1.408 -1.667 224 HB2 CYS 78 HB2 CYS 78 8.543 -0.550 -0.469 225 HB3 CYS 78 HB3 CYS 78 7.558 -1.018 -1.828 226 H PHE 79 H PHE 79 6.522 0.443 -3.563 227 HA PHE 79 HA PHE 79 7.736 0.436 -6.142 228 HB2 PHE 79 HB2 PHE 79 5.545 -0.494 -5.824 229 HB3 PHE 79 HB3 PHE 79 4.923 1.013 -5.169 230 HD1 PHE 79 HD2 PHE 79 6.800 0.088 -8.342 231 HD2 PHE 79 HD1 PHE 79 3.401 2.075 -6.561 232 HE1 PHE 79 HE2 PHE 79 6.042 0.830 -10.582 233 HE2 PHE 79 HE1 PHE 79 2.682 2.843 -8.805 234 HZ PHE 79 HZ PHE 79 3.999 2.212 -10.823 235 H HIS 80 H HIS 80 6.239 3.235 -4.343 236 HA HIS 80 HA HIS 80 6.715 5.094 -6.493 237 HB2 HIS 80 HB2 HIS 80 5.046 5.462 -4.689 238 HB3 HIS 80 HB3 HIS 80 6.355 5.579 -3.512 239 HD1 HIS 80 HD1 HIS 80 6.193 7.408 -6.951 240 HD2 HIS 80 HD2 HIS 80 6.383 8.107 -2.818 241 HE1 HIS 80 HE1 HIS 80 6.400 9.920 -6.655 242 H TYR 81 H TYR 81 8.714 4.211 -3.660 243 HA TYR 81 HA TYR 81 10.761 6.180 -4.227 244 HB2 TYR 81 HB2 TYR 81 10.581 3.739 -2.432 245 HB3 TYR 81 HB3 TYR 81 12.064 4.638 -2.624 246 HD1 TYR 81 HD2 TYR 81 8.588 6.151 -2.328 247 HD2 TYR 81 HD1 TYR 81 12.437 5.477 -0.480 248 HE1 TYR 81 HE2 TYR 81 7.940 7.615 -0.460 249 HE2 TYR 81 HE1 TYR 81 11.776 6.966 1.396 250 HH TYR 81 HH TYR 81 10.066 8.182 2.363 251 H SER 82 H SER 82 10.362 2.740 -5.245 252 HA SER 82 HA SER 82 12.981 2.701 -6.562 253 HB2 SER 82 HB2 SER 82 11.722 0.607 -5.981 254 HB3 SER 82 HB3 SER 82 10.580 0.993 -7.292 255 HG SER 82 HG SER 82 12.343 -0.359 -8.098 256 H THR 83 H THR 83 9.708 3.615 -7.604 257 HA THR 83 HA THR 83 8.847 4.210 -9.623 258 HB THR 83 HB THR 83 9.292 6.246 -8.561 259 HG1 THR 83 HG1 THR 83 8.912 7.361 -10.358 260 HG21 THR 83 HG21 THR 83 11.124 7.731 -9.080 261 HG22 THR 83 HG22 THR 83 11.901 6.514 -10.104 262 HG23 THR 83 HG23 THR 83 11.765 6.258 -8.344 263 H GLU 84 H GLU 84 9.421 2.228 -10.538 264 HA GLU 84 HA GLU 84 11.238 2.454 -12.904 265 HB2 GLU 84 HB2 GLU 84 9.912 0.014 -11.690 266 HB3 GLU 84 HB3 GLU 84 10.821 0.013 -13.201 267 HG2 GLU 84 HG2 GLU 84 11.999 0.745 -10.489 268 HG3 GLU 84 HG3 GLU 84 12.030 -0.875 -11.184 269 H GLU 85 H GLU 85 8.293 0.473 -12.761 270 HA GLU 85 HA GLU 85 6.752 2.235 -14.534 271 HB2 GLU 85 HB2 GLU 85 8.597 1.296 -15.938 272 HB3 GLU 85 HB3 GLU 85 8.029 -0.325 -15.575 273 HG2 GLU 85 HG2 GLU 85 5.915 0.149 -16.777 274 HG3 GLU 85 HG3 GLU 85 6.449 1.826 -17.040 275 H ILE 86 H ILE 86 7.016 -1.291 -13.610 276 HA ILE 86 HA ILE 86 4.067 -1.385 -13.417 277 HB ILE 86 HB ILE 86 6.022 -3.704 -13.178 278 HG12 ILE 86 HG12 ILE 86 4.811 -4.081 -15.600 279 HG13 ILE 86 HG13 ILE 86 4.848 -2.324 -15.591 280 HG21 ILE 86 HG21 ILE 86 3.011 -3.581 -13.653 281 HG22 ILE 86 HG22 ILE 86 4.002 -5.055 -13.704 282 HG23 ILE 86 HG23 ILE 86 3.828 -4.183 -12.191 283 HD11 ILE 86 HD11 ILE 86 7.365 -2.477 -15.198 284 HD12 ILE 86 HD12 ILE 86 7.214 -4.241 -15.315 285 HD13 ILE 86 HD13 ILE 86 6.823 -3.221 -16.713 286 H LYS 87 H LYS 87 2.902 -1.564 -11.619 287 HA LYS 87 HA LYS 87 3.667 -0.861 -9.063 288 HB2 LYS 87 HB2 LYS 87 1.411 -2.666 -10.005 289 HB3 LYS 87 HB3 LYS 87 1.595 -2.128 -8.342 290 HG2 LYS 87 HG2 LYS 87 1.466 0.242 -9.063 291 HG3 LYS 87 HG3 LYS 87 1.187 -0.290 -10.742 292 HD2 LYS 87 HD2 LYS 87 -0.893 -1.407 -10.097 293 HD3 LYS 87 HD3 LYS 87 -0.535 -1.149 -8.389 294 HE2 LYS 87 HE2 LYS 87 -0.621 1.352 -8.825 295 HE3 LYS 87 HE3 LYS 87 -1.228 0.992 -10.444 296 HZ1 LYS 87 HZ1 LYS 87 -3.125 -0.105 -9.446 297 HZ2 LYS 87 HZ2 LYS 87 -2.998 1.405 -8.782 298 HZ3 LYS 87 HZ3 LYS 87 -2.526 0.077 -7.933 299 H GLY 88 H GLY 88 5.367 -1.683 -8.042 300 HA2 GLY 88 HA2 GLY 88 6.030 -3.030 -6.230 301 HA3 GLY 88 HA3 GLY 88 5.113 -4.410 -6.887 302 H SER 89 H SER 89 7.118 -2.906 -9.247 303 HA SER 89 HA SER 89 8.470 -4.955 -10.182 304 HB2 SER 89 HB2 SER 89 10.307 -3.412 -10.862 305 HB3 SER 89 HB3 SER 89 8.687 -2.759 -11.116 306 HG SER 89 HG SER 89 10.694 -1.918 -9.346 307 H ASP 90 H ASP 90 10.369 -3.069 -7.814 308 HA ASP 90 HA ASP 90 12.123 -5.371 -7.280 309 HB2 ASP 90 HB2 ASP 90 12.240 -2.567 -6.096 310 HB3 ASP 90 HB3 ASP 90 13.554 -3.744 -6.227 311 H CYS 91 H CYS 91 9.234 -4.703 -6.141 312 HA CYS 91 HA CYS 91 9.731 -4.943 -3.180 313 HB2 CYS 91 HB2 CYS 91 7.565 -3.450 -4.712 314 HB3 CYS 91 HB3 CYS 91 7.785 -3.420 -2.968 315 H VAL 92 H VAL 92 8.486 -6.810 -5.548 316 HA VAL 92 HA VAL 92 5.937 -7.421 -5.343 317 HB VAL 92 HB VAL 92 8.067 -9.588 -5.462 318 HG11 VAL 92 HG11 VAL 92 5.208 -9.559 -6.541 319 HG12 VAL 92 HG12 VAL 92 6.424 -10.793 -6.929 320 HG13 VAL 92 HG13 VAL 92 5.844 -10.632 -5.273 321 HG21 VAL 92 HG21 VAL 92 7.926 -9.267 -7.934 322 HG22 VAL 92 HG22 VAL 92 6.857 -7.872 -7.675 323 HG23 VAL 92 HG23 VAL 92 8.546 -7.836 -7.113 324 H ASP 93 H ASP 93 8.163 -8.638 -2.869 325 HA ASP 93 HA ASP 93 6.685 -10.474 -1.390 326 HB2 ASP 93 HB2 ASP 93 9.065 -9.746 -1.123 327 HB3 ASP 93 HB3 ASP 93 8.535 -8.251 -0.399 328 H GLN 94 H GLN 94 6.552 -6.911 -1.095 329 HA GLN 94 HA GLN 94 4.765 -6.835 1.158 330 HB2 GLN 94 HB2 GLN 94 5.622 -4.778 -0.938 331 HB3 GLN 94 HB3 GLN 94 4.438 -4.429 0.344 332 HG2 GLN 94 HG2 GLN 94 6.503 -3.522 1.001 333 HG3 GLN 94 HG3 GLN 94 6.068 -4.810 2.081 334 HE21 GLN 94 HE21 GLN 94 7.799 -5.181 -1.146 335 HE22 GLN 94 HE22 GLN 94 9.232 -5.811 -0.316 336 H PHE 95 H PHE 95 4.200 -6.772 -2.371 337 HA PHE 95 HA PHE 95 1.355 -6.186 -2.141 338 HB2 PHE 95 HB2 PHE 95 3.111 -7.230 -4.409 339 HB3 PHE 95 HB3 PHE 95 1.382 -6.961 -4.563 340 HD1 PHE 95 HD1 PHE 95 4.624 -5.220 -3.870 341 HD2 PHE 95 HD2 PHE 95 0.468 -4.773 -4.921 342 HE1 PHE 95 HE1 PHE 95 4.978 -2.800 -4.275 343 HE2 PHE 95 HE2 PHE 95 0.849 -2.371 -5.385 344 HZ PHE 95 HZ PHE 95 3.102 -1.368 -5.059 345 H ARG 96 H ARG 96 3.352 -9.143 -2.369 346 HA ARG 96 HA ARG 96 1.179 -11.020 -2.386 347 HB2 ARG 96 HB2 ARG 96 3.662 -11.415 -2.884 348 HB3 ARG 96 HB3 ARG 96 3.916 -11.501 -1.143 349 HG2 ARG 96 HG2 ARG 96 2.330 -13.407 -1.005 350 HG3 ARG 96 HG3 ARG 96 1.991 -13.254 -2.743 351 HD2 ARG 96 HD2 ARG 96 4.423 -13.690 -3.210 352 HD3 ARG 96 HD3 ARG 96 4.677 -13.957 -1.485 353 HE ARG 96 HE ARG 96 2.897 -15.603 -3.257 354 HH11 ARG 96 HH11 ARG 96 5.246 -15.552 -0.636 355 HH12 ARG 96 HH12 ARG 96 5.128 -17.269 -0.357 356 HH21 ARG 96 HH21 ARG 96 2.801 -17.804 -2.892 357 HH22 ARG 96 HH22 ARG 96 3.701 -18.518 -1.591 358 H ALA 97 H ALA 97 3.039 -9.561 0.350 359 HA ALA 97 HA ALA 97 1.621 -10.698 2.507 360 HB1 ALA 97 HB1 ALA 97 3.760 -9.465 2.646 361 HB2 ALA 97 HB2 ALA 97 2.892 -7.942 2.340 362 HB3 ALA 97 HB3 ALA 97 2.549 -8.879 3.802 363 H MET 98 H MET 98 0.824 -7.720 0.642 364 HA MET 98 HA MET 98 -1.575 -7.091 2.088 365 HB2 MET 98 HB2 MET 98 -0.304 -5.626 0.440 366 HB3 MET 98 HB3 MET 98 -0.999 -6.581 -0.866 367 HG2 MET 98 HG2 MET 98 -3.305 -5.962 0.079 368 HG3 MET 98 HG3 MET 98 -2.463 -4.878 1.183 369 HE1 MET 98 HE1 MET 98 -2.937 -4.392 -3.382 370 HE2 MET 98 HE2 MET 98 -2.002 -5.746 -2.715 371 HE3 MET 98 HE3 MET 98 -3.744 -5.599 -2.360 372 H GLN 99 H GLN 99 -1.112 -9.183 -0.808 373 HA GLN 99 HA GLN 99 -3.901 -9.733 -1.137 374 HB2 GLN 99 HB2 GLN 99 -2.065 -9.981 -2.876 375 HB3 GLN 99 HB3 GLN 99 -1.541 -11.438 -2.010 376 HG2 GLN 99 HG2 GLN 99 -3.934 -12.338 -2.339 377 HG3 GLN 99 HG3 GLN 99 -4.217 -10.952 -3.391 378 HE21 GLN 99 HE21 GLN 99 -3.662 -11.294 -5.609 379 HE22 GLN 99 HE22 GLN 99 -2.673 -12.669 -6.094 380 H GLU 100 H GLU 100 -1.330 -11.719 0.496 381 HA GLU 100 HA GLU 100 -3.114 -13.783 1.243 382 HB2 GLU 100 HB2 GLU 100 -1.458 -14.613 2.701 383 HB3 GLU 100 HB3 GLU 100 -0.667 -13.975 1.242 384 HG2 GLU 100 HG2 GLU 100 -0.125 -11.894 2.518 385 HG3 GLU 100 HG3 GLU 100 -0.808 -12.618 3.979 386 H CYS 101 H CYS 101 -2.461 -10.678 2.842 387 HA CYS 101 HA CYS 101 -3.999 -11.248 5.224 388 HB2 CYS 101 HB2 CYS 101 -2.186 -9.549 4.972 389 HB3 CYS 101 HB3 CYS 101 -3.253 -8.572 3.975 390 H MET 102 H MET 102 -4.817 -9.549 2.124 391 HA MET 102 HA MET 102 -7.515 -8.975 2.958 392 HB2 MET 102 HB2 MET 102 -6.173 -8.993 0.239 393 HB3 MET 102 HB3 MET 102 -7.881 -8.584 0.468 394 HG2 MET 102 HG2 MET 102 -7.293 -6.811 2.067 395 HG3 MET 102 HG3 MET 102 -5.571 -7.201 1.887 396 HE1 MET 102 HE1 MET 102 -5.163 -4.742 1.655 397 HE2 MET 102 HE2 MET 102 -5.688 -3.723 0.295 398 HE3 MET 102 HE3 MET 102 -6.861 -4.211 1.547 399 H GLN 103 H GLN 103 -6.223 -11.825 1.185 400 HA GLN 103 HA GLN 103 -8.885 -12.993 1.007 401 HB2 GLN 103 HB2 GLN 103 -7.878 -15.026 0.215 402 HB3 GLN 103 HB3 GLN 103 -7.147 -13.595 -0.590 403 HG2 GLN 103 HG2 GLN 103 -5.299 -14.890 -0.213 404 HG3 GLN 103 HG3 GLN 103 -5.251 -13.859 1.171 405 HE21 GLN 103 HE21 GLN 103 -5.049 -14.823 3.192 406 HE22 GLN 103 HE22 GLN 103 -5.231 -16.574 3.404 407 H LYS 104 H LYS 104 -6.805 -12.613 3.687 408 HA LYS 104 HA LYS 104 -8.182 -14.731 5.240 409 HB2 LYS 104 HB2 LYS 104 -5.801 -12.947 5.623 410 HB3 LYS 104 HB3 LYS 104 -6.742 -13.271 7.070 411 HG2 LYS 104 HG2 LYS 104 -6.006 -15.652 5.401 412 HG3 LYS 104 HG3 LYS 104 -4.691 -14.822 6.205 413 HD2 LYS 104 HD2 LYS 104 -7.154 -15.902 7.623 414 HD3 LYS 104 HD3 LYS 104 -5.614 -16.752 7.468 415 HE2 LYS 104 HE2 LYS 104 -4.456 -14.887 8.645 416 HE3 LYS 104 HE3 LYS 104 -6.009 -14.085 8.912 417 HZ1 LYS 104 HZ1 LYS 104 -6.666 -15.772 10.381 418 HZ2 LYS 104 HZ2 LYS 104 -5.082 -15.572 10.766 419 HZ3 LYS 104 HZ3 LYS 104 -5.546 -16.848 9.848 420 H TYR 105 H TYR 105 -8.380 -11.244 4.678 421 HA TYR 105 HA TYR 105 -10.679 -11.084 6.584 422 HB2 TYR 105 HB2 TYR 105 -8.356 -9.136 6.475 423 HB3 TYR 105 HB3 TYR 105 -9.785 -9.008 7.490 424 HD1 TYR 105 HD2 TYR 105 -10.261 -11.155 9.051 425 HD2 TYR 105 HD1 TYR 105 -6.417 -10.015 7.453 426 HE1 TYR 105 HE2 TYR 105 -9.141 -12.444 10.848 427 HE2 TYR 105 HE1 TYR 105 -5.290 -11.285 9.278 428 HH TYR 105 HH TYR 105 -7.142 -13.141 11.731 429 HA PRO 106 HA PRO 106 -11.739 -9.044 2.575 430 HB2 PRO 106 HB2 PRO 106 -14.172 -10.211 2.125 431 HB3 PRO 106 HB3 PRO 106 -12.620 -10.991 1.733 432 HG2 PRO 106 HG2 PRO 106 -14.336 -11.401 4.201 433 HG3 PRO 106 HG3 PRO 106 -13.587 -12.645 3.152 434 HD2 PRO 106 HD2 PRO 106 -12.439 -11.824 5.484 435 HD3 PRO 106 HD3 PRO 106 -11.448 -12.257 4.053 436 H ASP 107 H ASP 107 -14.202 -9.586 5.193 437 HA ASP 107 HA ASP 107 -14.783 -6.741 5.385 438 HB2 ASP 107 HB2 ASP 107 -17.035 -6.813 4.604 439 HB3 ASP 107 HB3 ASP 107 -15.960 -7.289 3.315 440 H LEU 108 H LEU 108 -14.415 -6.824 7.524 441 HA LEU 108 HA LEU 108 -16.601 -7.650 9.249 442 HB2 LEU 108 HB2 LEU 108 -15.413 -9.234 10.647 443 HB3 LEU 108 HB3 LEU 108 -15.617 -9.821 9.029 444 HG LEU 108 HG LEU 108 -13.545 -10.530 9.982 445 HD11 LEU 108 HD11 LEU 108 -12.822 -8.595 7.755 446 HD12 LEU 108 HD12 LEU 108 -13.654 -10.153 7.513 447 HD13 LEU 108 HD13 LEU 108 -12.028 -10.106 8.201 448 HD21 LEU 108 HD21 LEU 108 -13.083 -8.589 11.476 449 HD22 LEU 108 HD22 LEU 108 -12.532 -7.669 10.056 450 HD23 LEU 108 HD23 LEU 108 -11.678 -9.139 10.544 451 H TYR 109 H TYR 109 -14.180 -5.499 8.682 452 HA TYR 109 HA TYR 109 -13.686 -4.762 11.509 453 HB2 TYR 109 HB2 TYR 109 -11.781 -3.411 10.274 454 HB3 TYR 109 HB3 TYR 109 -11.631 -5.105 10.675 455 HD1 TYR 109 HD1 TYR 109 -13.177 -3.227 7.768 456 HD2 TYR 109 HD2 TYR 109 -10.459 -6.296 9.104 457 HE1 TYR 109 HE1 TYR 109 -12.672 -3.841 5.384 458 HE2 TYR 109 HE2 TYR 109 -9.941 -6.863 6.736 459 HH TYR 109 HH TYR 109 -10.597 -6.630 4.581 Start of MODEL 6 1 H GLY 45 H GLY 45 -2.447 13.182 -9.254 2 HA2 GLY 45 HA2 GLY 45 0.255 13.441 -8.116 3 HA3 GLY 45 HA3 GLY 45 -1.081 14.605 -7.912 4 H LEU 46 H LEU 46 0.374 12.970 -5.933 5 HA LEU 46 HA LEU 46 -1.580 12.169 -4.135 6 HB2 LEU 46 HB2 LEU 46 -1.476 9.693 -4.159 7 HB3 LEU 46 HB3 LEU 46 -2.307 10.390 -5.510 8 HG LEU 46 HG LEU 46 0.016 10.058 -6.783 9 HD11 LEU 46 HD11 LEU 46 1.303 9.313 -4.798 10 HD12 LEU 46 HD12 LEU 46 1.211 8.038 -6.015 11 HD13 LEU 46 HD13 LEU 46 0.182 7.957 -4.570 12 HD21 LEU 46 HD21 LEU 46 -1.863 7.758 -6.105 13 HD22 LEU 46 HD22 LEU 46 -0.745 7.820 -7.487 14 HD23 LEU 46 HD23 LEU 46 -2.094 8.963 -7.393 15 H ILE 47 H ILE 47 1.702 12.346 -5.062 16 HA ILE 47 HA ILE 47 2.791 11.421 -2.503 17 HB ILE 47 HB ILE 47 3.974 12.903 -4.877 18 HG12 ILE 47 HG12 ILE 47 3.351 10.685 -5.551 19 HG13 ILE 47 HG13 ILE 47 5.094 10.761 -5.391 20 HG21 ILE 47 HG21 ILE 47 5.374 13.479 -3.051 21 HG22 ILE 47 HG22 ILE 47 5.422 11.807 -2.447 22 HG23 ILE 47 HG23 ILE 47 6.209 12.239 -3.975 23 HD11 ILE 47 HD11 ILE 47 4.296 8.654 -4.509 24 HD12 ILE 47 HD12 ILE 47 4.902 9.624 -3.152 25 HD13 ILE 47 HD13 ILE 47 3.158 9.461 -3.426 26 H LEU 48 H LEU 48 3.380 12.587 -0.780 27 HA LEU 48 HA LEU 48 2.264 15.267 -0.333 28 HB2 LEU 48 HB2 LEU 48 3.859 13.228 1.267 29 HB3 LEU 48 HB3 LEU 48 3.725 14.860 1.856 30 HG LEU 48 HG LEU 48 1.231 13.258 1.181 31 HD11 LEU 48 HD11 LEU 48 1.104 12.670 3.582 32 HD12 LEU 48 HD12 LEU 48 2.711 13.384 3.855 33 HD13 LEU 48 HD13 LEU 48 2.524 11.951 2.819 34 HD21 LEU 48 HD21 LEU 48 1.820 15.684 2.969 35 HD22 LEU 48 HD22 LEU 48 0.268 14.844 2.900 36 HD23 LEU 48 HD23 LEU 48 0.877 15.673 1.460 37 HA PRO 49 HA PRO 49 5.869 17.397 -1.725 38 HB2 PRO 49 HB2 PRO 49 5.691 19.833 -0.500 39 HB3 PRO 49 HB3 PRO 49 4.467 19.235 -1.646 40 HG2 PRO 49 HG2 PRO 49 4.388 19.039 1.384 41 HG3 PRO 49 HG3 PRO 49 3.132 19.719 0.292 42 HD2 PRO 49 HD2 PRO 49 3.011 17.151 1.178 43 HD3 PRO 49 HD3 PRO 49 2.528 17.576 -0.490 44 H ASN 50 H ASN 50 6.555 15.490 0.224 45 HA ASN 50 HA ASN 50 9.176 16.474 0.984 46 HB2 ASN 50 HB2 ASN 50 9.063 15.767 3.329 47 HB3 ASN 50 HB3 ASN 50 7.889 17.034 3.010 48 HD21 ASN 50 HD21 ASN 50 5.809 16.645 3.710 49 HD22 ASN 50 HD22 ASN 50 5.225 15.056 4.173 50 H GLY 51 H GLY 51 7.255 14.080 -0.328 51 HA2 GLY 51 HA2 GLY 51 8.367 12.328 -1.505 52 HA3 GLY 51 HA3 GLY 51 9.414 12.021 -0.112 53 H ASN 52 H ASN 52 6.916 12.127 1.729 54 HA ASN 52 HA ASN 52 6.217 9.332 1.436 55 HB2 ASN 52 HB2 ASN 52 6.480 10.822 3.587 56 HB3 ASN 52 HB3 ASN 52 4.772 11.164 3.337 57 HD21 ASN 52 HD21 ASN 52 7.032 8.971 4.725 58 HD22 ASN 52 HD22 ASN 52 5.956 7.612 4.923 59 H ILE 53 H ILE 53 3.444 9.095 1.970 60 HA ILE 53 HA ILE 53 2.341 10.032 -0.670 61 HB ILE 53 HB ILE 53 1.886 7.318 0.585 62 HG12 ILE 53 HG12 ILE 53 3.936 8.197 -1.494 63 HG13 ILE 53 HG13 ILE 53 4.248 7.427 0.053 64 HG21 ILE 53 HG21 ILE 53 1.348 8.381 -2.229 65 HG22 ILE 53 HG22 ILE 53 0.964 6.749 -1.628 66 HG23 ILE 53 HG23 ILE 53 0.125 8.133 -0.967 67 HD11 ILE 53 HD11 ILE 53 3.009 6.084 -2.359 68 HD12 ILE 53 HD12 ILE 53 4.625 5.854 -1.683 69 HD13 ILE 53 HD13 ILE 53 3.207 5.346 -0.742 70 H ASN 54 H ASN 54 0.116 10.560 -0.784 71 HA ASN 54 HA ASN 54 -0.752 11.631 1.747 72 HB2 ASN 54 HB2 ASN 54 -0.824 12.754 -0.544 73 HB3 ASN 54 HB3 ASN 54 -2.302 11.844 -0.852 74 HD21 ASN 54 HD21 ASN 54 -4.272 12.763 0.135 75 HD22 ASN 54 HD22 ASN 54 -4.146 14.144 1.232 76 H TRP 55 H TRP 55 -0.983 9.450 2.733 77 HA TRP 55 HA TRP 55 -3.163 7.720 2.343 78 HB2 TRP 55 HB2 TRP 55 -2.015 8.453 5.044 79 HB3 TRP 55 HB3 TRP 55 -2.676 6.910 4.535 80 HD1 TRP 55 HD1 TRP 55 0.458 8.448 5.305 81 HE1 TRP 55 HE1 TRP 55 2.487 7.356 4.195 82 HE3 TRP 55 HE3 TRP 55 -1.934 5.609 1.778 83 HZ2 TRP 55 HZ2 TRP 55 2.989 5.177 2.369 84 HZ3 TRP 55 HZ3 TRP 55 -0.643 4.022 0.363 85 HH2 TRP 55 HH2 TRP 55 1.815 3.770 0.696 86 H ASN 56 H ASN 56 -3.400 10.981 3.338 87 HA ASN 56 HA ASN 56 -5.953 10.690 4.743 88 HB2 ASN 56 HB2 ASN 56 -3.874 12.619 4.652 89 HB3 ASN 56 HB3 ASN 56 -5.248 13.398 3.888 90 HD21 ASN 56 HD21 ASN 56 -4.575 11.283 6.783 91 HD22 ASN 56 HD22 ASN 56 -5.637 12.208 7.832 92 H CYS 57 H CYS 57 -5.094 10.739 1.417 93 HA CYS 57 HA CYS 57 -7.473 11.870 0.258 94 HB2 CYS 57 HB2 CYS 57 -5.491 9.718 -0.586 95 HB3 CYS 57 HB3 CYS 57 -6.900 10.084 -1.584 96 HG CYS 57 HG CYS 57 -6.355 12.416 -2.319 97 HA PRO 58 HA PRO 58 -10.364 9.179 2.107 98 HB2 PRO 58 HB2 PRO 58 -12.486 9.155 0.290 99 HB3 PRO 58 HB3 PRO 58 -12.114 10.458 1.452 100 HG2 PRO 58 HG2 PRO 58 -11.356 10.287 -1.473 101 HG3 PRO 58 HG3 PRO 58 -11.993 11.699 -0.565 102 HD2 PRO 58 HD2 PRO 58 -9.352 11.450 -1.085 103 HD3 PRO 58 HD3 PRO 58 -9.917 12.080 0.497 104 H CYS 59 H CYS 59 -10.149 8.320 -1.443 105 HA CYS 59 HA CYS 59 -10.716 5.584 -1.058 106 HB2 CYS 59 HB2 CYS 59 -8.961 6.868 -3.218 107 HB3 CYS 59 HB3 CYS 59 -9.830 5.332 -3.341 108 HG CYS 59 HG CYS 59 -12.229 6.253 -3.264 109 H LEU 60 H LEU 60 -7.522 7.204 -1.043 110 HA LEU 60 HA LEU 60 -6.070 4.710 -0.939 111 HB2 LEU 60 HB2 LEU 60 -5.312 7.010 -1.879 112 HB3 LEU 60 HB3 LEU 60 -5.020 7.473 -0.205 113 HG LEU 60 HG LEU 60 -3.416 5.515 -0.018 114 HD11 LEU 60 HD11 LEU 60 -2.554 4.540 -2.153 115 HD12 LEU 60 HD12 LEU 60 -3.857 5.351 -3.043 116 HD13 LEU 60 HD13 LEU 60 -4.228 4.081 -1.858 117 HD21 LEU 60 HD21 LEU 60 -2.605 7.800 -0.453 118 HD22 LEU 60 HD22 LEU 60 -2.826 7.570 -2.203 119 HD23 LEU 60 HD23 LEU 60 -1.623 6.611 -1.316 120 H GLY 61 H GLY 61 -7.120 7.007 1.568 121 HA2 GLY 61 HA2 GLY 61 -5.654 5.878 3.753 122 HA3 GLY 61 HA3 GLY 61 -7.091 6.928 3.846 123 H GLY 62 H GLY 62 -8.692 4.859 2.272 124 HA2 GLY 62 HA2 GLY 62 -9.512 3.095 4.448 125 HA3 GLY 62 HA3 GLY 62 -10.020 2.985 2.738 126 H MET 63 H MET 63 -7.702 2.586 1.393 127 HA MET 63 HA MET 63 -7.122 -0.197 1.892 128 HB2 MET 63 HB2 MET 63 -5.765 1.813 0.051 129 HB3 MET 63 HB3 MET 63 -5.610 0.054 -0.033 130 HG2 MET 63 HG2 MET 63 -8.245 1.545 -0.446 131 HG3 MET 63 HG3 MET 63 -7.136 1.078 -1.714 132 HE1 MET 63 HE1 MET 63 -10.299 0.076 0.077 133 HE2 MET 63 HE2 MET 63 -10.145 -1.666 0.374 134 HE3 MET 63 HE3 MET 63 -9.189 -0.522 1.330 135 H ALA 64 H ALA 64 -5.242 2.747 2.561 136 HA ALA 64 HA ALA 64 -2.951 1.249 3.551 137 HB1 ALA 64 HB1 ALA 64 -2.007 3.448 3.850 138 HB2 ALA 64 HB2 ALA 64 -2.921 3.475 2.345 139 HB3 ALA 64 HB3 ALA 64 -3.618 4.218 3.807 140 H SER 65 H SER 65 -5.859 1.361 4.981 141 HA SER 65 HA SER 65 -4.800 1.564 7.780 142 HB2 SER 65 HB2 SER 65 -7.591 2.179 6.732 143 HB3 SER 65 HB3 SER 65 -7.149 2.089 8.441 144 HG SER 65 HG SER 65 -6.580 4.007 6.555 145 H GLY 66 H GLY 66 -6.748 0.350 9.207 146 HA2 GLY 66 HA2 GLY 66 -7.849 -1.650 9.707 147 HA3 GLY 66 HA3 GLY 66 -7.534 -2.216 8.051 148 HA PRO 67 HA PRO 67 -4.742 -4.538 11.022 149 HB2 PRO 67 HB2 PRO 67 -5.277 -7.070 10.042 150 HB3 PRO 67 HB3 PRO 67 -6.193 -6.284 11.364 151 HG2 PRO 67 HG2 PRO 67 -6.922 -6.448 8.427 152 HG3 PRO 67 HG3 PRO 67 -7.969 -6.721 9.852 153 HD2 PRO 67 HD2 PRO 67 -7.958 -4.354 8.510 154 HD3 PRO 67 HD3 PRO 67 -8.146 -4.405 10.285 155 H CYS 68 H CYS 68 -5.390 -5.439 7.582 156 HA CYS 68 HA CYS 68 -2.698 -5.929 6.867 157 HB2 CYS 68 HB2 CYS 68 -5.004 -5.033 5.090 158 HB3 CYS 68 HB3 CYS 68 -3.552 -5.883 4.573 159 H GLY 69 H GLY 69 -4.040 -2.816 7.485 160 HA2 GLY 69 HA2 GLY 69 -3.306 -1.249 5.373 161 HA3 GLY 69 HA3 GLY 69 -3.287 -0.676 7.046 162 H GLU 70 H GLU 70 -1.023 -2.273 7.937 163 HA GLU 70 HA GLU 70 1.121 -0.594 7.073 164 HB2 GLU 70 HB2 GLU 70 2.510 -1.840 8.540 165 HB3 GLU 70 HB3 GLU 70 0.956 -1.542 9.317 166 HG2 GLU 70 HG2 GLU 70 0.284 -3.885 8.917 167 HG3 GLU 70 HG3 GLU 70 1.799 -4.194 8.072 168 H GLN 71 H GLN 71 -0.070 -3.582 5.700 169 HA GLN 71 HA GLN 71 2.408 -4.266 4.267 170 HB2 GLN 71 HB2 GLN 71 -0.419 -5.238 3.722 171 HB3 GLN 71 HB3 GLN 71 1.095 -6.019 3.286 172 HG2 GLN 71 HG2 GLN 71 -0.068 -5.746 6.100 173 HG3 GLN 71 HG3 GLN 71 -0.066 -7.189 5.099 174 HE21 GLN 71 HE21 GLN 71 0.981 -7.586 7.554 175 HE22 GLN 71 HE22 GLN 71 2.720 -7.717 7.406 176 H PHE 72 H PHE 72 -0.765 -2.737 3.552 177 HA PHE 72 HA PHE 72 -0.195 -2.160 0.794 178 HB2 PHE 72 HB2 PHE 72 -2.469 -2.315 1.842 179 HB3 PHE 72 HB3 PHE 72 -2.144 -0.815 2.701 180 HD1 PHE 72 HD2 PHE 72 -1.911 1.339 1.422 181 HD2 PHE 72 HD1 PHE 72 -3.016 -2.343 -0.527 182 HE1 PHE 72 HE2 PHE 72 -2.730 2.623 -0.528 183 HE2 PHE 72 HE1 PHE 72 -3.839 -1.056 -2.486 184 HZ PHE 72 HZ PHE 72 -3.701 1.431 -2.490 185 H LYS 73 H LYS 73 0.270 -0.291 3.812 186 HA LYS 73 HA LYS 73 1.388 2.113 2.695 187 HB2 LYS 73 HB2 LYS 73 2.057 0.563 5.244 188 HB3 LYS 73 HB3 LYS 73 2.704 2.146 4.886 189 HG2 LYS 73 HG2 LYS 73 -0.299 1.822 4.936 190 HG3 LYS 73 HG3 LYS 73 0.590 1.788 6.463 191 HD2 LYS 73 HD2 LYS 73 1.568 4.026 5.932 192 HD3 LYS 73 HD3 LYS 73 0.666 4.008 4.409 193 HE2 LYS 73 HE2 LYS 73 -0.611 5.360 5.911 194 HE3 LYS 73 HE3 LYS 73 -1.475 3.828 5.714 195 HZ1 LYS 73 HZ1 LYS 73 0.104 4.694 8.054 196 HZ2 LYS 73 HZ2 LYS 73 -0.384 3.135 7.840 197 HZ3 LYS 73 HZ3 LYS 73 -1.497 4.338 7.990 198 H SER 74 H SER 74 2.970 -0.988 3.621 199 HA SER 74 HA SER 74 5.600 -0.236 2.837 200 HB2 SER 74 HB2 SER 74 4.543 -2.309 4.192 201 HB3 SER 74 HB3 SER 74 4.710 -3.111 2.635 202 HG SER 74 HG SER 74 6.570 -3.413 3.828 203 H ALA 75 H ALA 75 3.122 -2.032 0.918 204 HA ALA 75 HA ALA 75 4.637 -2.369 -1.430 205 HB1 ALA 75 HB1 ALA 75 1.631 -1.997 -0.990 206 HB2 ALA 75 HB2 ALA 75 2.362 -2.680 -2.445 207 HB3 ALA 75 HB3 ALA 75 2.521 -3.528 -0.904 208 H PHE 76 H PHE 76 2.435 0.401 -0.691 209 HA PHE 76 HA PHE 76 3.083 1.660 -3.226 210 HB2 PHE 76 HB2 PHE 76 1.261 2.202 -0.954 211 HB3 PHE 76 HB3 PHE 76 1.917 3.639 -1.719 212 HD1 PHE 76 HD1 PHE 76 1.499 4.183 -4.062 213 HD2 PHE 76 HD2 PHE 76 -0.260 0.701 -2.231 214 HE1 PHE 76 HE1 PHE 76 -0.088 3.988 -5.962 215 HE2 PHE 76 HE2 PHE 76 -1.836 0.499 -4.143 216 HZ PHE 76 HZ PHE 76 -1.767 2.154 -5.999 217 H SER 77 H SER 77 4.381 2.052 0.094 218 HA SER 77 HA SER 77 5.894 4.391 -0.439 219 HB2 SER 77 HB2 SER 77 6.406 2.088 1.484 220 HB3 SER 77 HB3 SER 77 7.287 3.750 1.503 221 HG SER 77 HG SER 77 5.141 3.120 2.845 222 H CYS 78 H CYS 78 6.903 0.921 -0.566 223 HA CYS 78 HA CYS 78 9.530 1.389 -1.617 224 HB2 CYS 78 HB2 CYS 78 8.796 -0.712 -0.601 225 HB3 CYS 78 HB3 CYS 78 7.644 -1.008 -1.897 226 H PHE 79 H PHE 79 6.458 0.775 -3.393 227 HA PHE 79 HA PHE 79 7.630 0.720 -5.990 228 HB2 PHE 79 HB2 PHE 79 5.414 -0.168 -5.569 229 HB3 PHE 79 HB3 PHE 79 4.827 1.403 -5.036 230 HD1 PHE 79 HD1 PHE 79 6.549 -0.086 -8.065 231 HD2 PHE 79 HD2 PHE 79 3.574 2.659 -6.572 232 HE1 PHE 79 HE1 PHE 79 5.955 0.549 -10.387 233 HE2 PHE 79 HE2 PHE 79 2.998 3.294 -8.903 234 HZ PHE 79 HZ PHE 79 4.188 2.239 -10.814 235 H HIS 80 H HIS 80 6.379 3.513 -4.083 236 HA HIS 80 HA HIS 80 7.045 5.435 -6.186 237 HB2 HIS 80 HB2 HIS 80 5.451 6.068 -4.465 238 HB3 HIS 80 HB3 HIS 80 6.612 5.714 -3.186 239 HD1 HIS 80 HD1 HIS 80 7.322 8.067 -2.193 240 HD2 HIS 80 HD2 HIS 80 7.060 7.956 -6.388 241 HE1 HIS 80 HE1 HIS 80 8.070 10.332 -3.018 242 H TYR 81 H TYR 81 8.764 4.542 -3.115 243 HA TYR 81 HA TYR 81 10.853 6.399 -3.560 244 HB2 TYR 81 HB2 TYR 81 10.573 3.959 -1.780 245 HB3 TYR 81 HB3 TYR 81 12.067 4.867 -1.852 246 HD1 TYR 81 HD2 TYR 81 8.481 6.111 -1.731 247 HD2 TYR 81 HD1 TYR 81 12.332 5.934 0.183 248 HE1 TYR 81 HE2 TYR 81 7.661 7.620 0.052 249 HE2 TYR 81 HE1 TYR 81 11.500 7.422 1.985 250 HH TYR 81 HH TYR 81 9.639 8.503 2.877 251 H SER 82 H SER 82 10.593 3.101 -4.832 252 HA SER 82 HA SER 82 13.439 3.168 -5.663 253 HB2 SER 82 HB2 SER 82 12.231 1.113 -4.795 254 HB3 SER 82 HB3 SER 82 11.410 1.035 -6.376 255 HG SER 82 HG SER 82 13.525 -0.184 -6.088 256 H THR 83 H THR 83 10.682 4.505 -7.032 257 HA THR 83 HA THR 83 10.028 5.185 -9.079 258 HB THR 83 HB THR 83 11.572 6.676 -10.170 259 HG1 THR 83 HG1 THR 83 13.629 6.855 -9.633 260 HG21 THR 83 HG21 THR 83 12.030 8.148 -8.279 261 HG22 THR 83 HG22 THR 83 11.849 6.804 -7.136 262 HG23 THR 83 HG23 THR 83 10.453 7.375 -8.070 263 H GLU 84 H GLU 84 9.643 2.852 -9.727 264 HA GLU 84 HA GLU 84 10.979 2.403 -12.366 265 HB2 GLU 84 HB2 GLU 84 10.260 0.448 -10.258 266 HB3 GLU 84 HB3 GLU 84 9.754 -0.009 -11.872 267 HG2 GLU 84 HG2 GLU 84 11.786 -0.963 -11.839 268 HG3 GLU 84 HG3 GLU 84 12.152 0.541 -12.657 269 H GLU 85 H GLU 85 8.016 0.642 -12.035 270 HA GLU 85 HA GLU 85 6.333 2.508 -13.470 271 HB2 GLU 85 HB2 GLU 85 8.081 2.152 -15.183 272 HB3 GLU 85 HB3 GLU 85 7.848 0.403 -15.083 273 HG2 GLU 85 HG2 GLU 85 5.543 0.650 -15.947 274 HG3 GLU 85 HG3 GLU 85 5.734 2.397 -15.970 275 H ILE 86 H ILE 86 7.021 -1.083 -13.514 276 HA ILE 86 HA ILE 86 4.151 -1.625 -13.508 277 HB ILE 86 HB ILE 86 6.473 -3.542 -13.101 278 HG12 ILE 86 HG12 ILE 86 6.703 -2.536 -15.282 279 HG13 ILE 86 HG13 ILE 86 6.173 -4.198 -15.439 280 HG21 ILE 86 HG21 ILE 86 4.821 -5.294 -13.768 281 HG22 ILE 86 HG22 ILE 86 4.449 -4.534 -12.223 282 HG23 ILE 86 HG23 ILE 86 3.529 -4.080 -13.670 283 HD11 ILE 86 HD11 ILE 86 3.843 -3.410 -15.900 284 HD12 ILE 86 HD12 ILE 86 4.413 -1.725 -15.779 285 HD13 ILE 86 HD13 ILE 86 5.028 -2.782 -17.056 286 H LYS 87 H LYS 87 2.816 -1.938 -11.839 287 HA LYS 87 HA LYS 87 3.412 -0.964 -9.276 288 HB2 LYS 87 HB2 LYS 87 1.243 -2.965 -10.052 289 HB3 LYS 87 HB3 LYS 87 1.245 -1.974 -8.600 290 HG2 LYS 87 HG2 LYS 87 1.060 -0.890 -11.444 291 HG3 LYS 87 HG3 LYS 87 -0.311 -1.229 -10.411 292 HD2 LYS 87 HD2 LYS 87 0.391 0.491 -8.795 293 HD3 LYS 87 HD3 LYS 87 1.865 0.774 -9.735 294 HE2 LYS 87 HE2 LYS 87 0.373 2.552 -10.292 295 HE3 LYS 87 HE3 LYS 87 0.496 1.485 -11.687 296 HZ1 LYS 87 HZ1 LYS 87 -1.770 1.997 -11.444 297 HZ2 LYS 87 HZ2 LYS 87 -1.797 1.790 -9.826 298 HZ3 LYS 87 HZ3 LYS 87 -1.659 0.483 -10.831 299 H GLY 88 H GLY 88 5.002 -1.756 -8.040 300 HA2 GLY 88 HA2 GLY 88 5.860 -3.123 -6.384 301 HA3 GLY 88 HA3 GLY 88 4.803 -4.457 -6.903 302 H SER 89 H SER 89 6.783 -3.092 -9.426 303 HA SER 89 HA SER 89 7.718 -5.420 -10.363 304 HB2 SER 89 HB2 SER 89 9.498 -4.130 -11.523 305 HB3 SER 89 HB3 SER 89 7.926 -3.327 -11.548 306 HG SER 89 HG SER 89 10.202 -2.654 -10.004 307 H ASP 90 H ASP 90 9.681 -3.634 -7.954 308 HA ASP 90 HA ASP 90 11.304 -6.133 -7.569 309 HB2 ASP 90 HB2 ASP 90 12.543 -4.258 -8.708 310 HB3 ASP 90 HB3 ASP 90 12.304 -3.278 -7.266 311 H CYS 91 H CYS 91 8.840 -4.790 -6.344 312 HA CYS 91 HA CYS 91 9.530 -4.803 -3.412 313 HB2 CYS 91 HB2 CYS 91 7.296 -3.371 -4.888 314 HB3 CYS 91 HB3 CYS 91 7.598 -3.283 -3.168 315 H VAL 92 H VAL 92 8.613 -6.840 -5.517 316 HA VAL 92 HA VAL 92 6.050 -7.580 -5.595 317 HB VAL 92 HB VAL 92 8.328 -9.592 -5.401 318 HG11 VAL 92 HG11 VAL 92 6.169 -10.766 -5.409 319 HG12 VAL 92 HG12 VAL 92 5.613 -9.793 -6.790 320 HG13 VAL 92 HG13 VAL 92 6.943 -10.954 -6.979 321 HG21 VAL 92 HG21 VAL 92 8.876 -7.856 -7.058 322 HG22 VAL 92 HG22 VAL 92 8.477 -9.371 -7.868 323 HG23 VAL 92 HG23 VAL 92 7.280 -8.060 -7.821 324 H ASP 93 H ASP 93 8.110 -8.388 -2.847 325 HA ASP 93 HA ASP 93 6.585 -10.268 -1.410 326 HB2 ASP 93 HB2 ASP 93 8.723 -9.922 -0.594 327 HB3 ASP 93 HB3 ASP 93 8.641 -8.180 -0.782 328 H GLN 94 H GLN 94 6.456 -6.683 -1.200 329 HA GLN 94 HA GLN 94 4.484 -6.708 0.898 330 HB2 GLN 94 HB2 GLN 94 5.235 -4.476 -1.037 331 HB3 GLN 94 HB3 GLN 94 4.319 -4.316 0.453 332 HG2 GLN 94 HG2 GLN 94 6.322 -3.659 1.241 333 HG3 GLN 94 HG3 GLN 94 6.495 -5.384 1.568 334 HE21 GLN 94 HE21 GLN 94 8.365 -6.355 0.618 335 HE22 GLN 94 HE22 GLN 94 9.401 -5.490 -0.520 336 H PHE 95 H PHE 95 4.170 -6.484 -2.649 337 HA PHE 95 HA PHE 95 1.351 -5.814 -2.610 338 HB2 PHE 95 HB2 PHE 95 3.245 -6.844 -4.750 339 HB3 PHE 95 HB3 PHE 95 1.521 -6.635 -5.040 340 HD1 PHE 95 HD1 PHE 95 4.573 -4.733 -3.929 341 HD2 PHE 95 HD2 PHE 95 0.613 -4.532 -5.630 342 HE1 PHE 95 HE1 PHE 95 4.864 -2.312 -4.328 343 HE2 PHE 95 HE2 PHE 95 0.914 -2.099 -6.036 344 HZ PHE 95 HZ PHE 95 3.031 -0.979 -5.356 345 H ARG 96 H ARG 96 3.175 -8.907 -2.935 346 HA ARG 96 HA ARG 96 0.794 -10.511 -3.064 347 HB2 ARG 96 HB2 ARG 96 3.256 -11.081 -3.690 348 HB3 ARG 96 HB3 ARG 96 3.429 -11.533 -1.981 349 HG2 ARG 96 HG2 ARG 96 1.508 -13.127 -2.261 350 HG3 ARG 96 HG3 ARG 96 1.347 -12.619 -3.950 351 HD2 ARG 96 HD2 ARG 96 3.708 -13.389 -4.360 352 HD3 ARG 96 HD3 ARG 96 3.744 -13.966 -2.689 353 HE ARG 96 HE ARG 96 2.006 -15.030 -4.910 354 HH11 ARG 96 HH11 ARG 96 3.793 -15.756 -1.961 355 HH12 ARG 96 HH12 ARG 96 3.049 -17.323 -1.792 356 HH21 ARG 96 HH21 ARG 96 1.174 -17.020 -4.714 357 HH22 ARG 96 HH22 ARG 96 1.455 -18.010 -3.291 358 H ALA 97 H ALA 97 2.834 -9.468 -0.311 359 HA ALA 97 HA ALA 97 1.550 -10.839 1.780 360 HB1 ALA 97 HB1 ALA 97 3.739 -9.729 1.971 361 HB2 ALA 97 HB2 ALA 97 2.954 -8.137 1.842 362 HB3 ALA 97 HB3 ALA 97 2.628 -9.186 3.236 363 H MET 98 H MET 98 0.785 -7.501 0.530 364 HA MET 98 HA MET 98 -1.492 -7.276 2.324 365 HB2 MET 98 HB2 MET 98 -2.029 -5.243 1.260 366 HB3 MET 98 HB3 MET 98 -0.277 -5.338 1.377 367 HG2 MET 98 HG2 MET 98 -0.576 -4.429 -0.690 368 HG3 MET 98 HG3 MET 98 -0.287 -6.131 -1.057 369 HE1 MET 98 HE1 MET 98 -2.676 -4.909 -3.902 370 HE2 MET 98 HE2 MET 98 -1.358 -4.025 -3.101 371 HE3 MET 98 HE3 MET 98 -1.162 -5.751 -3.514 372 H GLN 99 H GLN 99 -1.189 -8.689 -0.928 373 HA GLN 99 HA GLN 99 -4.027 -9.006 -1.304 374 HB2 GLN 99 HB2 GLN 99 -1.579 -10.336 -2.524 375 HB3 GLN 99 HB3 GLN 99 -3.234 -10.868 -2.902 376 HG2 GLN 99 HG2 GLN 99 -3.820 -8.682 -3.764 377 HG3 GLN 99 HG3 GLN 99 -2.286 -8.001 -3.272 378 HE21 GLN 99 HE21 GLN 99 -2.726 -11.229 -4.875 379 HE22 GLN 99 HE22 GLN 99 -1.888 -10.713 -6.345 380 H GLU 100 H GLU 100 -1.569 -11.349 0.052 381 HA GLU 100 HA GLU 100 -3.603 -13.330 0.525 382 HB2 GLU 100 HB2 GLU 100 -2.069 -14.481 1.957 383 HB3 GLU 100 HB3 GLU 100 -1.276 -13.996 0.472 384 HG2 GLU 100 HG2 GLU 100 -0.075 -12.232 1.619 385 HG3 GLU 100 HG3 GLU 100 -0.961 -12.519 3.119 386 H CYS 101 H CYS 101 -2.424 -10.638 2.519 387 HA CYS 101 HA CYS 101 -3.959 -11.223 4.851 388 HB2 CYS 101 HB2 CYS 101 -2.010 -9.692 4.688 389 HB3 CYS 101 HB3 CYS 101 -2.993 -8.524 3.806 390 H MET 102 H MET 102 -4.854 -9.010 2.069 391 HA MET 102 HA MET 102 -7.354 -8.364 3.371 392 HB2 MET 102 HB2 MET 102 -6.369 -7.863 0.547 393 HB3 MET 102 HB3 MET 102 -7.960 -7.350 1.133 394 HG2 MET 102 HG2 MET 102 -6.795 -6.162 3.053 395 HG3 MET 102 HG3 MET 102 -5.264 -6.510 2.242 396 HE1 MET 102 HE1 MET 102 -8.895 -5.153 0.999 397 HE2 MET 102 HE2 MET 102 -8.417 -4.316 2.488 398 HE3 MET 102 HE3 MET 102 -8.453 -3.428 0.957 399 H GLN 103 H GLN 103 -6.609 -11.272 1.733 400 HA GLN 103 HA GLN 103 -9.548 -11.738 1.435 401 HB2 GLN 103 HB2 GLN 103 -9.128 -13.645 0.129 402 HB3 GLN 103 HB3 GLN 103 -8.260 -12.271 -0.522 403 HG2 GLN 103 HG2 GLN 103 -6.795 -14.073 -0.781 404 HG3 GLN 103 HG3 GLN 103 -6.155 -13.172 0.586 405 HE21 GLN 103 HE21 GLN 103 -5.507 -14.503 2.253 406 HE22 GLN 103 HE22 GLN 103 -6.189 -16.110 2.540 407 H LYS 104 H LYS 104 -6.936 -12.528 3.702 408 HA LYS 104 HA LYS 104 -8.623 -14.586 4.985 409 HB2 LYS 104 HB2 LYS 104 -6.121 -13.127 5.938 410 HB3 LYS 104 HB3 LYS 104 -7.027 -14.282 6.913 411 HG2 LYS 104 HG2 LYS 104 -6.720 -15.929 4.894 412 HG3 LYS 104 HG3 LYS 104 -5.460 -14.783 4.398 413 HD2 LYS 104 HD2 LYS 104 -4.392 -16.536 5.561 414 HD3 LYS 104 HD3 LYS 104 -4.339 -15.096 6.586 415 HE2 LYS 104 HE2 LYS 104 -6.144 -15.967 7.989 416 HE3 LYS 104 HE3 LYS 104 -6.404 -17.339 6.902 417 HZ1 LYS 104 HZ1 LYS 104 -4.388 -18.311 7.562 418 HZ2 LYS 104 HZ2 LYS 104 -4.963 -17.728 8.959 419 HZ3 LYS 104 HZ3 LYS 104 -3.772 -16.910 8.155 420 H TYR 105 H TYR 105 -8.543 -11.142 4.972 421 HA TYR 105 HA TYR 105 -10.612 -11.086 7.142 422 HB2 TYR 105 HB2 TYR 105 -8.712 -8.882 6.315 423 HB3 TYR 105 HB3 TYR 105 -9.947 -8.793 7.568 424 HD1 TYR 105 HD2 TYR 105 -9.702 -10.723 9.487 425 HD2 TYR 105 HD1 TYR 105 -6.542 -9.194 6.998 426 HE1 TYR 105 HE2 TYR 105 -8.044 -11.295 11.231 427 HE2 TYR 105 HE1 TYR 105 -4.882 -9.704 8.772 428 HH TYR 105 HH TYR 105 -4.570 -10.541 10.896 429 HA PRO 106 HA PRO 106 -12.657 -9.980 3.187 430 HB2 PRO 106 HB2 PRO 106 -15.187 -10.958 3.712 431 HB3 PRO 106 HB3 PRO 106 -13.801 -11.940 3.158 432 HG2 PRO 106 HG2 PRO 106 -14.780 -11.550 6.000 433 HG3 PRO 106 HG3 PRO 106 -14.353 -13.085 5.172 434 HD2 PRO 106 HD2 PRO 106 -12.590 -11.846 6.799 435 HD3 PRO 106 HD3 PRO 106 -12.040 -12.604 5.283 436 H ASP 107 H ASP 107 -14.826 -9.498 6.068 437 HA ASP 107 HA ASP 107 -15.073 -6.617 5.485 438 HB2 ASP 107 HB2 ASP 107 -16.573 -8.131 3.928 439 HB3 ASP 107 HB3 ASP 107 -17.582 -8.312 5.355 440 H LEU 108 H LEU 108 -14.462 -8.588 7.797 441 HA LEU 108 HA LEU 108 -16.550 -8.079 9.782 442 HB2 LEU 108 HB2 LEU 108 -15.213 -9.381 11.279 443 HB3 LEU 108 HB3 LEU 108 -15.350 -10.196 9.742 444 HG LEU 108 HG LEU 108 -13.217 -10.600 10.648 445 HD11 LEU 108 HD11 LEU 108 -12.652 -8.597 8.437 446 HD12 LEU 108 HD12 LEU 108 -13.334 -10.223 8.172 447 HD13 LEU 108 HD13 LEU 108 -11.732 -10.036 8.891 448 HD21 LEU 108 HD21 LEU 108 -11.535 -9.035 11.265 449 HD22 LEU 108 HD22 LEU 108 -13.016 -8.594 12.129 450 HD23 LEU 108 HD23 LEU 108 -12.486 -7.654 10.715 451 H TYR 109 H TYR 109 -14.111 -6.174 8.596 452 HA TYR 109 HA TYR 109 -13.756 -4.535 11.046 453 HB2 TYR 109 HB2 TYR 109 -12.011 -3.398 9.580 454 HB3 TYR 109 HB3 TYR 109 -11.684 -5.038 10.098 455 HD1 TYR 109 HD2 TYR 109 -13.500 -3.469 7.139 456 HD2 TYR 109 HD1 TYR 109 -10.565 -6.297 8.542 457 HE1 TYR 109 HE2 TYR 109 -13.071 -4.186 4.801 458 HE2 TYR 109 HE1 TYR 109 -10.105 -6.966 6.183 459 HH TYR 109 HH TYR 109 -10.875 -6.874 4.046 Start of MODEL 7 1 H GLY 45 H GLY 45 -0.702 14.494 -6.852 2 HA2 GLY 45 HA2 GLY 45 -3.376 13.279 -6.911 3 HA3 GLY 45 HA3 GLY 45 -1.906 12.630 -7.673 4 H LEU 46 H LEU 46 -0.541 11.356 -6.421 5 HA LEU 46 HA LEU 46 -1.668 10.595 -3.786 6 HB2 LEU 46 HB2 LEU 46 -0.421 8.520 -4.111 7 HB3 LEU 46 HB3 LEU 46 -1.610 8.823 -5.356 8 HG LEU 46 HG LEU 46 1.241 9.627 -5.919 9 HD11 LEU 46 HD11 LEU 46 0.250 6.748 -6.010 10 HD12 LEU 46 HD12 LEU 46 1.483 7.393 -4.902 11 HD13 LEU 46 HD13 LEU 46 1.802 7.337 -6.644 12 HD21 LEU 46 HD21 LEU 46 -0.912 8.301 -7.632 13 HD22 LEU 46 HD22 LEU 46 0.673 8.863 -8.197 14 HD23 LEU 46 HD23 LEU 46 -0.532 10.032 -7.647 15 H ILE 47 H ILE 47 1.180 12.305 -4.756 16 HA ILE 47 HA ILE 47 2.624 11.468 -2.264 17 HB ILE 47 HB ILE 47 3.753 12.917 -4.673 18 HG12 ILE 47 HG12 ILE 47 3.116 10.787 -5.527 19 HG13 ILE 47 HG13 ILE 47 4.842 10.772 -5.288 20 HG21 ILE 47 HG21 ILE 47 5.949 12.140 -3.747 21 HG22 ILE 47 HG22 ILE 47 5.117 13.289 -2.705 22 HG23 ILE 47 HG23 ILE 47 5.105 11.561 -2.301 23 HD11 ILE 47 HD11 ILE 47 3.889 8.638 -4.606 24 HD12 ILE 47 HD12 ILE 47 4.544 9.456 -3.179 25 HD13 ILE 47 HD13 ILE 47 2.790 9.423 -3.469 26 H LEU 48 H LEU 48 3.322 12.933 -0.741 27 HA LEU 48 HA LEU 48 1.972 15.552 -0.648 28 HB2 LEU 48 HB2 LEU 48 3.497 13.790 1.329 29 HB3 LEU 48 HB3 LEU 48 2.927 15.382 1.764 30 HG LEU 48 HG LEU 48 1.052 13.186 0.800 31 HD11 LEU 48 HD11 LEU 48 2.105 12.439 2.852 32 HD12 LEU 48 HD12 LEU 48 0.456 12.953 3.215 33 HD13 LEU 48 HD13 LEU 48 1.818 14.014 3.633 34 HD21 LEU 48 HD21 LEU 48 0.089 15.429 0.538 35 HD22 LEU 48 HD22 LEU 48 0.586 15.872 2.188 36 HD23 LEU 48 HD23 LEU 48 -0.654 14.639 1.934 37 HA PRO 49 HA PRO 49 5.560 18.005 -1.452 38 HB2 PRO 49 HB2 PRO 49 5.441 20.081 0.361 39 HB3 PRO 49 HB3 PRO 49 4.353 19.913 -1.047 40 HG2 PRO 49 HG2 PRO 49 3.841 19.060 1.820 41 HG3 PRO 49 HG3 PRO 49 2.771 20.015 0.741 42 HD2 PRO 49 HD2 PRO 49 2.405 17.365 1.056 43 HD3 PRO 49 HD3 PRO 49 2.236 18.104 -0.563 44 H ASN 50 H ASN 50 5.276 16.644 1.793 45 HA ASN 50 HA ASN 50 8.166 16.933 2.286 46 HB2 ASN 50 HB2 ASN 50 7.666 15.849 4.422 47 HB3 ASN 50 HB3 ASN 50 6.685 17.274 4.153 48 HD21 ASN 50 HD21 ASN 50 6.563 13.977 5.046 49 HD22 ASN 50 HD22 ASN 50 4.838 13.775 4.854 50 H GLY 51 H GLY 51 6.687 15.073 0.098 51 HA2 GLY 51 HA2 GLY 51 7.590 13.373 -1.150 52 HA3 GLY 51 HA3 GLY 51 8.854 13.127 0.074 53 H ASN 52 H ASN 52 5.979 12.903 1.704 54 HA ASN 52 HA ASN 52 6.031 9.969 1.741 55 HB2 ASN 52 HB2 ASN 52 5.953 11.564 3.734 56 HB3 ASN 52 HB3 ASN 52 4.274 11.902 3.308 57 HD21 ASN 52 HD21 ASN 52 4.574 11.034 5.778 58 HD22 ASN 52 HD22 ASN 52 4.293 9.302 5.923 59 H ILE 53 H ILE 53 3.733 8.883 1.861 60 HA ILE 53 HA ILE 53 2.197 9.622 -0.610 61 HB ILE 53 HB ILE 53 2.280 7.061 1.004 62 HG12 ILE 53 HG12 ILE 53 3.509 7.790 -1.681 63 HG13 ILE 53 HG13 ILE 53 4.388 7.429 -0.192 64 HG21 ILE 53 HG21 ILE 53 0.934 6.073 -0.819 65 HG22 ILE 53 HG22 ILE 53 0.070 7.405 -0.073 66 HG23 ILE 53 HG23 ILE 53 0.898 7.647 -1.638 67 HD11 ILE 53 HD11 ILE 53 4.574 5.535 -1.582 68 HD12 ILE 53 HD12 ILE 53 3.453 5.088 -0.284 69 HD13 ILE 53 HD13 ILE 53 2.845 5.475 -1.919 70 H ASN 54 H ASN 54 -0.001 10.123 -0.498 71 HA ASN 54 HA ASN 54 -0.760 11.296 2.038 72 HB2 ASN 54 HB2 ASN 54 -1.074 12.381 -0.174 73 HB3 ASN 54 HB3 ASN 54 -2.358 11.230 -0.540 74 HD21 ASN 54 HD21 ASN 54 -2.359 14.263 -0.046 75 HD22 ASN 54 HD22 ASN 54 -3.413 14.502 1.327 76 H TRP 55 H TRP 55 -1.231 9.763 3.565 77 HA TRP 55 HA TRP 55 -3.172 7.673 3.095 78 HB2 TRP 55 HB2 TRP 55 -1.752 8.500 5.637 79 HB3 TRP 55 HB3 TRP 55 -2.550 6.961 5.337 80 HD1 TRP 55 HD1 TRP 55 0.755 8.183 5.616 81 HE1 TRP 55 HE1 TRP 55 2.499 6.855 4.288 82 HE3 TRP 55 HE3 TRP 55 -2.374 5.655 2.440 83 HZ2 TRP 55 HZ2 TRP 55 2.524 4.780 2.294 84 HZ3 TRP 55 HZ3 TRP 55 -1.456 4.027 0.826 85 HH2 TRP 55 HH2 TRP 55 0.979 3.558 0.751 86 H ASN 56 H ASN 56 -4.063 10.763 3.471 87 HA ASN 56 HA ASN 56 -6.513 9.958 5.023 88 HB2 ASN 56 HB2 ASN 56 -5.171 12.678 4.963 89 HB3 ASN 56 HB3 ASN 56 -6.732 12.331 5.709 90 HD21 ASN 56 HD21 ASN 56 -6.803 11.056 7.698 91 HD22 ASN 56 HD22 ASN 56 -5.321 10.906 8.636 92 H CYS 57 H CYS 57 -5.364 11.122 1.946 93 HA CYS 57 HA CYS 57 -7.698 12.371 0.987 94 HB2 CYS 57 HB2 CYS 57 -5.356 10.944 -0.207 95 HB3 CYS 57 HB3 CYS 57 -6.799 10.977 -1.222 96 HG CYS 57 HG CYS 57 -5.210 12.991 -1.891 97 HA PRO 58 HA PRO 58 -10.743 9.298 1.289 98 HB2 PRO 58 HB2 PRO 58 -12.771 10.267 -0.241 99 HB3 PRO 58 HB3 PRO 58 -12.096 11.172 1.142 100 HG2 PRO 58 HG2 PRO 58 -11.311 11.467 -1.780 101 HG3 PRO 58 HG3 PRO 58 -11.870 12.756 -0.656 102 HD2 PRO 58 HD2 PRO 58 -9.222 12.277 -1.042 103 HD3 PRO 58 HD3 PRO 58 -9.862 12.673 0.582 104 H CYS 59 H CYS 59 -8.943 8.021 0.032 105 HA CYS 59 HA CYS 59 -10.148 5.917 -1.410 106 HB2 CYS 59 HB2 CYS 59 -10.298 7.362 -3.349 107 HB3 CYS 59 HB3 CYS 59 -8.638 7.930 -3.151 108 HG CYS 59 HG CYS 59 -8.724 6.330 -5.243 109 H LEU 60 H LEU 60 -7.022 7.566 -1.722 110 HA LEU 60 HA LEU 60 -5.384 5.321 -1.221 111 HB2 LEU 60 HB2 LEU 60 -4.866 7.416 -2.475 112 HB3 LEU 60 HB3 LEU 60 -4.834 8.309 -0.954 113 HG LEU 60 HG LEU 60 -2.834 7.054 -0.235 114 HD11 LEU 60 HD11 LEU 60 -3.171 4.880 -1.332 115 HD12 LEU 60 HD12 LEU 60 -1.636 5.584 -1.839 116 HD13 LEU 60 HD13 LEU 60 -3.035 5.639 -2.936 117 HD21 LEU 60 HD21 LEU 60 -2.666 9.142 -1.586 118 HD22 LEU 60 HD22 LEU 60 -2.671 8.178 -3.075 119 HD23 LEU 60 HD23 LEU 60 -1.323 8.052 -1.931 120 H GLY 61 H GLY 61 -6.839 7.555 1.162 121 HA2 GLY 61 HA2 GLY 61 -5.221 6.538 3.363 122 HA3 GLY 61 HA3 GLY 61 -6.698 7.532 3.473 123 H GLY 62 H GLY 62 -8.499 5.776 2.132 124 HA2 GLY 62 HA2 GLY 62 -9.320 4.220 4.381 125 HA3 GLY 62 HA3 GLY 62 -10.038 4.156 2.749 126 H MET 63 H MET 63 -7.948 3.164 1.226 127 HA MET 63 HA MET 63 -7.863 0.371 1.856 128 HB2 MET 63 HB2 MET 63 -7.676 1.479 -0.401 129 HB3 MET 63 HB3 MET 63 -6.015 1.933 -0.004 130 HG2 MET 63 HG2 MET 63 -5.392 -0.423 0.218 131 HG3 MET 63 HG3 MET 63 -7.058 -0.937 -0.012 132 HE1 MET 63 HE1 MET 63 -8.381 -0.758 -2.212 133 HE2 MET 63 HE2 MET 63 -7.999 0.946 -2.561 134 HE3 MET 63 HE3 MET 63 -7.704 -0.299 -3.787 135 H ALA 64 H ALA 64 -5.887 2.925 3.118 136 HA ALA 64 HA ALA 64 -3.718 1.069 3.945 137 HB1 ALA 64 HB1 ALA 64 -3.938 4.094 4.269 138 HB2 ALA 64 HB2 ALA 64 -2.485 3.084 4.428 139 HB3 ALA 64 HB3 ALA 64 -3.237 3.304 2.844 140 H SER 65 H SER 65 -6.666 1.556 5.165 141 HA SER 65 HA SER 65 -5.821 1.868 8.014 142 HB2 SER 65 HB2 SER 65 -7.360 3.576 7.145 143 HB3 SER 65 HB3 SER 65 -8.514 2.316 6.703 144 HG SER 65 HG SER 65 -8.999 3.204 8.740 145 H GLY 66 H GLY 66 -6.893 0.574 9.604 146 HA2 GLY 66 HA2 GLY 66 -7.785 -1.470 10.416 147 HA3 GLY 66 HA3 GLY 66 -7.867 -2.101 8.756 148 HA PRO 67 HA PRO 67 -4.217 -3.828 11.184 149 HB2 PRO 67 HB2 PRO 67 -4.657 -6.516 10.702 150 HB3 PRO 67 HB3 PRO 67 -5.375 -5.594 12.057 151 HG2 PRO 67 HG2 PRO 67 -6.635 -6.258 9.388 152 HG3 PRO 67 HG3 PRO 67 -7.355 -6.410 11.025 153 HD2 PRO 67 HD2 PRO 67 -7.872 -4.268 9.428 154 HD3 PRO 67 HD3 PRO 67 -7.670 -4.069 11.192 155 H CYS 68 H CYS 68 -5.386 -5.130 7.993 156 HA CYS 68 HA CYS 68 -2.847 -5.733 6.928 157 HB2 CYS 68 HB2 CYS 68 -5.365 -4.818 5.490 158 HB3 CYS 68 HB3 CYS 68 -3.986 -5.585 4.723 159 H GLY 69 H GLY 69 -3.787 -2.636 7.768 160 HA2 GLY 69 HA2 GLY 69 -3.163 -0.945 5.656 161 HA3 GLY 69 HA3 GLY 69 -2.883 -0.554 7.364 162 H GLU 70 H GLU 70 -0.800 -2.372 7.994 163 HA GLU 70 HA GLU 70 1.497 -1.015 7.141 164 HB2 GLU 70 HB2 GLU 70 2.773 -2.958 8.009 165 HB3 GLU 70 HB3 GLU 70 1.615 -2.263 9.140 166 HG2 GLU 70 HG2 GLU 70 0.166 -4.125 9.019 167 HG3 GLU 70 HG3 GLU 70 0.846 -4.697 7.501 168 H GLN 71 H GLN 71 0.004 -3.856 5.553 169 HA GLN 71 HA GLN 71 2.408 -4.266 3.894 170 HB2 GLN 71 HB2 GLN 71 -0.328 -5.623 3.827 171 HB3 GLN 71 HB3 GLN 71 1.089 -6.096 2.891 172 HG2 GLN 71 HG2 GLN 71 0.758 -6.247 5.910 173 HG3 GLN 71 HG3 GLN 71 0.943 -7.581 4.784 174 HE21 GLN 71 HE21 GLN 71 2.734 -6.451 7.215 175 HE22 GLN 71 HE22 GLN 71 4.302 -6.427 6.425 176 H PHE 72 H PHE 72 -0.755 -2.660 3.495 177 HA PHE 72 HA PHE 72 -0.206 -2.152 0.657 178 HB2 PHE 72 HB2 PHE 72 -2.528 -2.235 1.444 179 HB3 PHE 72 HB3 PHE 72 -2.222 -0.914 2.568 180 HD1 PHE 72 HD1 PHE 72 -1.728 -1.635 -1.126 181 HD2 PHE 72 HD2 PHE 72 -2.903 1.215 1.873 182 HE1 PHE 72 HE1 PHE 72 -2.300 0.004 -2.898 183 HE2 PHE 72 HE2 PHE 72 -3.475 2.855 0.106 184 HZ PHE 72 HZ PHE 72 -3.163 2.252 -2.294 185 H LYS 73 H LYS 73 0.167 -0.345 3.725 186 HA LYS 73 HA LYS 73 1.312 2.060 2.745 187 HB2 LYS 73 HB2 LYS 73 2.059 0.421 5.202 188 HB3 LYS 73 HB3 LYS 73 2.599 2.057 4.918 189 HG2 LYS 73 HG2 LYS 73 -0.380 1.552 4.990 190 HG3 LYS 73 HG3 LYS 73 0.538 1.435 6.496 191 HD2 LYS 73 HD2 LYS 73 1.386 3.799 6.038 192 HD3 LYS 73 HD3 LYS 73 0.269 3.811 4.659 193 HE2 LYS 73 HE2 LYS 73 -0.894 4.890 6.422 194 HE3 LYS 73 HE3 LYS 73 -1.623 3.287 6.262 195 HZ1 LYS 73 HZ1 LYS 73 -1.244 3.861 8.559 196 HZ2 LYS 73 HZ2 LYS 73 0.368 4.079 8.315 197 HZ3 LYS 73 HZ3 LYS 73 -0.292 2.579 8.188 198 H SER 74 H SER 74 3.023 -1.008 3.616 199 HA SER 74 HA SER 74 5.531 -0.081 2.604 200 HB2 SER 74 HB2 SER 74 4.974 -1.979 4.298 201 HB3 SER 74 HB3 SER 74 4.949 -3.023 2.861 202 HG SER 74 HG SER 74 7.099 -2.818 2.776 203 H ALA 75 H ALA 75 3.031 -2.144 0.949 204 HA ALA 75 HA ALA 75 4.556 -2.664 -1.384 205 HB1 ALA 75 HB1 ALA 75 2.305 -2.978 -2.456 206 HB2 ALA 75 HB2 ALA 75 2.439 -3.805 -0.893 207 HB3 ALA 75 HB3 ALA 75 1.542 -2.273 -1.019 208 H PHE 76 H PHE 76 2.292 0.102 -0.793 209 HA PHE 76 HA PHE 76 2.957 1.377 -3.311 210 HB2 PHE 76 HB2 PHE 76 1.164 1.854 -1.039 211 HB3 PHE 76 HB3 PHE 76 1.956 3.329 -1.539 212 HD1 PHE 76 HD2 PHE 76 0.613 0.341 -3.443 213 HD2 PHE 76 HD1 PHE 76 0.535 4.616 -2.865 214 HE1 PHE 76 HE2 PHE 76 -0.991 0.573 -5.324 215 HE2 PHE 76 HE1 PHE 76 -1.085 4.835 -4.727 216 HZ PHE 76 HZ PHE 76 -1.847 2.820 -5.962 217 H SER 77 H SER 77 4.230 1.788 -0.002 218 HA SER 77 HA SER 77 5.943 4.033 -0.480 219 HB2 SER 77 HB2 SER 77 5.356 3.169 1.740 220 HB3 SER 77 HB3 SER 77 6.290 1.692 1.413 221 HG SER 77 HG SER 77 7.498 3.147 2.581 222 H CYS 78 H CYS 78 6.844 0.510 -0.535 223 HA CYS 78 HA CYS 78 9.496 0.944 -1.469 224 HB2 CYS 78 HB2 CYS 78 8.549 -1.092 -0.387 225 HB3 CYS 78 HB3 CYS 78 7.667 -1.468 -1.870 226 H PHE 79 H PHE 79 6.460 0.465 -3.318 227 HA PHE 79 HA PHE 79 7.708 0.471 -5.904 228 HB2 PHE 79 HB2 PHE 79 5.470 -0.392 -5.615 229 HB3 PHE 79 HB3 PHE 79 4.893 1.148 -4.982 230 HD1 PHE 79 HD2 PHE 79 6.799 -0.025 -8.041 231 HD2 PHE 79 HD1 PHE 79 3.620 2.438 -6.471 232 HE1 PHE 79 HE2 PHE 79 6.316 0.809 -10.310 233 HE2 PHE 79 HE1 PHE 79 3.153 3.272 -8.757 234 HZ PHE 79 HZ PHE 79 4.519 2.476 -10.681 235 H HIS 80 H HIS 80 6.425 3.205 -3.894 236 HA HIS 80 HA HIS 80 6.983 5.248 -5.846 237 HB2 HIS 80 HB2 HIS 80 5.568 5.663 -3.889 238 HB3 HIS 80 HB3 HIS 80 6.907 5.336 -2.795 239 HD1 HIS 80 HD1 HIS 80 7.984 7.528 -1.903 240 HD2 HIS 80 HD2 HIS 80 6.316 7.902 -5.743 241 HE1 HIS 80 HE1 HIS 80 8.193 9.978 -2.545 242 H TYR 81 H TYR 81 9.017 4.114 -3.060 243 HA TYR 81 HA TYR 81 11.250 5.743 -3.852 244 HB2 TYR 81 HB2 TYR 81 11.004 3.374 -1.963 245 HB3 TYR 81 HB3 TYR 81 12.473 4.309 -2.168 246 HD1 TYR 81 HD2 TYR 81 12.272 6.932 -1.888 247 HD2 TYR 81 HD1 TYR 81 9.569 4.041 -0.180 248 HE1 TYR 81 HE2 TYR 81 11.595 8.584 -0.151 249 HE2 TYR 81 HE1 TYR 81 8.879 5.679 1.536 250 HH TYR 81 HH TYR 81 9.157 7.806 2.353 251 H SER 82 H SER 82 10.205 2.722 -5.142 252 HA SER 82 HA SER 82 12.759 2.014 -6.369 253 HB2 SER 82 HB2 SER 82 11.118 0.288 -5.912 254 HB3 SER 82 HB3 SER 82 9.890 1.150 -6.852 255 HG SER 82 HG SER 82 12.233 -0.121 -7.862 256 H THR 83 H THR 83 9.889 3.833 -7.489 257 HA THR 83 HA THR 83 9.409 5.009 -9.364 258 HB THR 83 HB THR 83 11.008 6.538 -10.262 259 HG1 THR 83 HG1 THR 83 12.811 4.677 -9.195 260 HG21 THR 83 HG21 THR 83 11.620 6.166 -7.292 261 HG22 THR 83 HG22 THR 83 10.205 7.006 -7.963 262 HG23 THR 83 HG23 THR 83 11.830 7.631 -8.268 263 H GLU 84 H GLU 84 10.202 2.097 -9.862 264 HA GLU 84 HA GLU 84 10.676 2.196 -12.759 265 HB2 GLU 84 HB2 GLU 84 10.260 -0.119 -10.858 266 HB3 GLU 84 HB3 GLU 84 10.341 -0.305 -12.641 267 HG2 GLU 84 HG2 GLU 84 12.574 0.842 -12.601 268 HG3 GLU 84 HG3 GLU 84 12.527 0.859 -10.844 269 H GLU 85 H GLU 85 9.174 1.057 -14.215 270 HA GLU 85 HA GLU 85 6.580 2.229 -14.136 271 HB2 GLU 85 HB2 GLU 85 7.937 0.243 -15.984 272 HB3 GLU 85 HB3 GLU 85 6.380 0.966 -16.317 273 HG2 GLU 85 HG2 GLU 85 7.955 2.158 -17.588 274 HG3 GLU 85 HG3 GLU 85 7.421 3.211 -16.293 275 H ILE 86 H ILE 86 7.651 -0.966 -13.263 276 HA ILE 86 HA ILE 86 4.958 -2.208 -13.526 277 HB ILE 86 HB ILE 86 7.603 -3.398 -12.616 278 HG12 ILE 86 HG12 ILE 86 7.804 -2.822 -14.947 279 HG13 ILE 86 HG13 ILE 86 7.676 -4.558 -14.772 280 HG21 ILE 86 HG21 ILE 86 4.930 -4.737 -13.194 281 HG22 ILE 86 HG22 ILE 86 6.469 -5.597 -12.970 282 HG23 ILE 86 HG23 ILE 86 5.784 -4.664 -11.638 283 HD11 ILE 86 HD11 ILE 86 5.288 -4.458 -15.502 284 HD12 ILE 86 HD12 ILE 86 5.442 -2.696 -15.703 285 HD13 ILE 86 HD13 ILE 86 6.400 -3.794 -16.704 286 H LYS 87 H LYS 87 3.562 -2.381 -11.930 287 HA LYS 87 HA LYS 87 3.974 -0.942 -9.509 288 HB2 LYS 87 HB2 LYS 87 1.686 -2.861 -10.022 289 HB3 LYS 87 HB3 LYS 87 1.701 -1.415 -9.033 290 HG2 LYS 87 HG2 LYS 87 1.725 -1.619 -12.064 291 HG3 LYS 87 HG3 LYS 87 0.439 -0.988 -11.040 292 HD2 LYS 87 HD2 LYS 87 1.847 0.943 -10.417 293 HD3 LYS 87 HD3 LYS 87 3.174 0.342 -11.413 294 HE2 LYS 87 HE2 LYS 87 0.403 1.052 -12.479 295 HE3 LYS 87 HE3 LYS 87 1.789 2.145 -12.488 296 HZ1 LYS 87 HZ1 LYS 87 1.545 1.029 -14.593 297 HZ2 LYS 87 HZ2 LYS 87 1.697 -0.457 -13.921 298 HZ3 LYS 87 HZ3 LYS 87 2.978 0.582 -13.900 299 H GLY 88 H GLY 88 5.592 -1.695 -8.297 300 HA2 GLY 88 HA2 GLY 88 6.350 -2.901 -6.399 301 HA3 GLY 88 HA3 GLY 88 5.270 -4.258 -6.828 302 H SER 89 H SER 89 7.189 -3.012 -9.398 303 HA SER 89 HA SER 89 8.256 -4.981 -10.597 304 HB2 SER 89 HB2 SER 89 8.865 -2.501 -10.784 305 HB3 SER 89 HB3 SER 89 10.253 -2.876 -9.742 306 HG SER 89 HG SER 89 10.994 -3.174 -11.773 307 H ASP 90 H ASP 90 10.801 -4.020 -8.254 308 HA ASP 90 HA ASP 90 11.526 -6.816 -7.842 309 HB2 ASP 90 HB2 ASP 90 12.578 -4.258 -6.576 310 HB3 ASP 90 HB3 ASP 90 13.320 -5.876 -6.446 311 H CYS 91 H CYS 91 9.910 -4.309 -6.019 312 HA CYS 91 HA CYS 91 9.873 -5.303 -3.364 313 HB2 CYS 91 HB2 CYS 91 7.861 -3.580 -4.844 314 HB3 CYS 91 HB3 CYS 91 7.988 -3.681 -3.114 315 H VAL 92 H VAL 92 8.671 -7.094 -5.648 316 HA VAL 92 HA VAL 92 5.922 -7.313 -5.420 317 HB VAL 92 HB VAL 92 7.356 -8.124 -7.260 318 HG11 VAL 92 HG11 VAL 92 7.744 -10.670 -5.650 319 HG12 VAL 92 HG12 VAL 92 8.337 -10.319 -7.286 320 HG13 VAL 92 HG13 VAL 92 8.998 -9.440 -5.902 321 HG21 VAL 92 HG21 VAL 92 4.924 -8.681 -7.094 322 HG22 VAL 92 HG22 VAL 92 5.877 -9.855 -8.016 323 HG23 VAL 92 HG23 VAL 92 5.371 -10.240 -6.361 324 H ASP 93 H ASP 93 8.206 -8.951 -3.258 325 HA ASP 93 HA ASP 93 6.567 -10.883 -2.035 326 HB2 ASP 93 HB2 ASP 93 8.959 -10.505 -1.559 327 HB3 ASP 93 HB3 ASP 93 8.586 -8.990 -0.776 328 H GLN 94 H GLN 94 6.481 -7.345 -1.697 329 HA GLN 94 HA GLN 94 4.585 -7.480 0.595 330 HB2 GLN 94 HB2 GLN 94 5.917 -5.172 -0.877 331 HB3 GLN 94 HB3 GLN 94 4.833 -4.974 0.489 332 HG2 GLN 94 HG2 GLN 94 6.301 -5.991 2.037 333 HG3 GLN 94 HG3 GLN 94 7.246 -6.796 0.779 334 HE21 GLN 94 HE21 GLN 94 8.423 -5.242 -0.806 335 HE22 GLN 94 HE22 GLN 94 9.191 -3.861 -0.020 336 H PHE 95 H PHE 95 4.428 -6.849 -2.923 337 HA PHE 95 HA PHE 95 1.633 -5.976 -2.857 338 HB2 PHE 95 HB2 PHE 95 3.511 -7.001 -5.015 339 HB3 PHE 95 HB3 PHE 95 1.788 -6.808 -5.319 340 HD1 PHE 95 HD2 PHE 95 4.780 -4.898 -4.068 341 HD2 PHE 95 HD1 PHE 95 0.881 -4.709 -5.908 342 HE1 PHE 95 HE2 PHE 95 5.023 -2.459 -4.350 343 HE2 PHE 95 HE1 PHE 95 1.143 -2.265 -6.210 344 HZ PHE 95 HZ PHE 95 3.197 -1.123 -5.397 345 H ARG 96 H ARG 96 3.330 -9.034 -3.008 346 HA ARG 96 HA ARG 96 1.057 -10.790 -3.290 347 HB2 ARG 96 HB2 ARG 96 3.347 -11.296 -3.951 348 HB3 ARG 96 HB3 ARG 96 3.905 -11.210 -2.286 349 HG2 ARG 96 HG2 ARG 96 2.765 -13.233 -1.693 350 HG3 ARG 96 HG3 ARG 96 1.844 -13.242 -3.219 351 HD2 ARG 96 HD2 ARG 96 3.849 -13.579 -4.536 352 HD3 ARG 96 HD3 ARG 96 4.890 -13.256 -3.147 353 HE ARG 96 HE ARG 96 4.847 -15.430 -2.630 354 HH11 ARG 96 HH11 ARG 96 1.898 -14.932 -4.519 355 HH12 ARG 96 HH12 ARG 96 1.580 -16.641 -4.645 356 HH21 ARG 96 HH21 ARG 96 4.467 -17.559 -2.908 357 HH22 ARG 96 HH22 ARG 96 2.995 -18.126 -3.659 358 H ALA 97 H ALA 97 3.068 -9.933 -0.349 359 HA ALA 97 HA ALA 97 1.342 -11.090 1.530 360 HB1 ALA 97 HB1 ALA 97 3.639 -10.298 1.985 361 HB2 ALA 97 HB2 ALA 97 3.085 -8.610 1.851 362 HB3 ALA 97 HB3 ALA 97 2.475 -9.654 3.150 363 H MET 98 H MET 98 1.107 -7.777 0.123 364 HA MET 98 HA MET 98 -1.094 -6.923 1.698 365 HB2 MET 98 HB2 MET 98 0.293 -5.481 0.239 366 HB3 MET 98 HB3 MET 98 -0.421 -6.236 -1.189 367 HG2 MET 98 HG2 MET 98 -2.600 -5.343 0.461 368 HG3 MET 98 HG3 MET 98 -1.391 -4.083 0.484 369 HE1 MET 98 HE1 MET 98 -2.278 -6.607 -2.523 370 HE2 MET 98 HE2 MET 98 -3.800 -6.270 -1.658 371 HE3 MET 98 HE3 MET 98 -3.550 -5.661 -3.313 372 H GLN 99 H GLN 99 -1.164 -8.862 -1.368 373 HA GLN 99 HA GLN 99 -4.065 -9.106 -1.312 374 HB2 GLN 99 HB2 GLN 99 -1.926 -10.753 -2.741 375 HB3 GLN 99 HB3 GLN 99 -3.652 -11.122 -2.784 376 HG2 GLN 99 HG2 GLN 99 -3.961 -8.677 -3.639 377 HG3 GLN 99 HG3 GLN 99 -2.241 -8.748 -4.010 378 HE21 GLN 99 HE21 GLN 99 -5.474 -9.811 -4.995 379 HE22 GLN 99 HE22 GLN 99 -4.904 -10.752 -6.365 380 H GLU 100 H GLU 100 -1.379 -11.164 -0.014 381 HA GLU 100 HA GLU 100 -3.068 -13.213 0.902 382 HB2 GLU 100 HB2 GLU 100 -1.246 -14.226 1.546 383 HB3 GLU 100 HB3 GLU 100 -0.400 -12.919 0.757 384 HG2 GLU 100 HG2 GLU 100 -0.205 -11.822 3.078 385 HG3 GLU 100 HG3 GLU 100 -0.903 -13.300 3.737 386 H CYS 101 H CYS 101 -2.235 -10.146 2.602 387 HA CYS 101 HA CYS 101 -3.895 -10.836 4.886 388 HB2 CYS 101 HB2 CYS 101 -2.014 -9.148 4.771 389 HB3 CYS 101 HB3 CYS 101 -3.133 -8.048 3.961 390 H MET 102 H MET 102 -4.630 -8.926 1.884 391 HA MET 102 HA MET 102 -7.293 -8.252 2.786 392 HB2 MET 102 HB2 MET 102 -5.984 -8.272 0.039 393 HB3 MET 102 HB3 MET 102 -7.650 -7.739 0.315 394 HG2 MET 102 HG2 MET 102 -6.856 -6.066 1.964 395 HG3 MET 102 HG3 MET 102 -5.196 -6.553 1.651 396 HE1 MET 102 HE1 MET 102 -5.265 -3.006 0.124 397 HE2 MET 102 HE2 MET 102 -6.044 -3.585 1.607 398 HE3 MET 102 HE3 MET 102 -4.409 -4.132 1.189 399 H GLN 103 H GLN 103 -6.160 -11.217 1.114 400 HA GLN 103 HA GLN 103 -8.956 -12.078 0.787 401 HB2 GLN 103 HB2 GLN 103 -8.143 -14.071 -0.189 402 HB3 GLN 103 HB3 GLN 103 -7.263 -12.717 -0.854 403 HG2 GLN 103 HG2 GLN 103 -5.667 -14.427 -0.548 404 HG3 GLN 103 HG3 GLN 103 -5.361 -13.253 0.729 405 HE21 GLN 103 HE21 GLN 103 -4.871 -14.187 2.682 406 HE22 GLN 103 HE22 GLN 103 -5.454 -15.784 3.142 407 H LYS 104 H LYS 104 -6.914 -11.944 3.459 408 HA LYS 104 HA LYS 104 -8.195 -14.208 4.866 409 HB2 LYS 104 HB2 LYS 104 -5.826 -12.477 5.178 410 HB3 LYS 104 HB3 LYS 104 -6.733 -12.568 6.668 411 HG2 LYS 104 HG2 LYS 104 -5.952 -15.041 5.064 412 HG3 LYS 104 HG3 LYS 104 -4.864 -14.301 6.227 413 HD2 LYS 104 HD2 LYS 104 -7.642 -15.391 6.899 414 HD3 LYS 104 HD3 LYS 104 -6.092 -16.226 7.140 415 HE2 LYS 104 HE2 LYS 104 -5.432 -14.017 8.443 416 HE3 LYS 104 HE3 LYS 104 -7.180 -13.775 8.552 417 HZ1 LYS 104 HZ1 LYS 104 -6.287 -15.010 10.454 418 HZ2 LYS 104 HZ2 LYS 104 -5.677 -16.155 9.458 419 HZ3 LYS 104 HZ3 LYS 104 -7.338 -15.947 9.617 420 H TYR 105 H TYR 105 -8.460 -10.655 4.704 421 HA TYR 105 HA TYR 105 -10.655 -10.786 6.764 422 HB2 TYR 105 HB2 TYR 105 -8.446 -8.758 6.413 423 HB3 TYR 105 HB3 TYR 105 -9.745 -8.651 7.578 424 HD1 TYR 105 HD1 TYR 105 -9.935 -11.344 8.773 425 HD2 TYR 105 HD2 TYR 105 -6.449 -9.104 7.581 426 HE1 TYR 105 HE1 TYR 105 -8.588 -12.538 10.474 427 HE2 TYR 105 HE2 TYR 105 -5.113 -10.251 9.322 428 HH TYR 105 HH TYR 105 -5.134 -11.802 11.040 429 HA PRO 106 HA PRO 106 -12.552 -8.658 3.206 430 HB2 PRO 106 HB2 PRO 106 -14.986 -9.853 3.178 431 HB3 PRO 106 HB3 PRO 106 -13.506 -10.673 2.614 432 HG2 PRO 106 HG2 PRO 106 -14.859 -10.923 5.320 433 HG3 PRO 106 HG3 PRO 106 -14.265 -12.228 4.252 434 HD2 PRO 106 HD2 PRO 106 -12.797 -11.243 6.352 435 HD3 PRO 106 HD3 PRO 106 -12.035 -11.856 4.857 436 H ASP 107 H ASP 107 -14.578 -9.097 6.227 437 HA ASP 107 HA ASP 107 -15.091 -6.211 6.301 438 HB2 ASP 107 HB2 ASP 107 -16.641 -7.307 4.526 439 HB3 ASP 107 HB3 ASP 107 -17.484 -8.017 5.890 440 H LEU 108 H LEU 108 -14.167 -8.567 8.132 441 HA LEU 108 HA LEU 108 -16.119 -8.627 10.250 442 HB2 LEU 108 HB2 LEU 108 -14.605 -9.845 11.539 443 HB3 LEU 108 HB3 LEU 108 -14.483 -10.415 9.908 444 HG LEU 108 HG LEU 108 -12.358 -10.498 10.871 445 HD11 LEU 108 HD11 LEU 108 -12.352 -9.774 8.521 446 HD12 LEU 108 HD12 LEU 108 -10.958 -9.154 9.434 447 HD13 LEU 108 HD13 LEU 108 -12.299 -8.072 9.050 448 HD21 LEU 108 HD21 LEU 108 -12.297 -7.543 11.526 449 HD22 LEU 108 HD22 LEU 108 -11.112 -8.785 11.923 450 HD23 LEU 108 HD23 LEU 108 -12.706 -8.815 12.702 451 H TYR 109 H TYR 109 -13.861 -6.274 9.319 452 HA TYR 109 HA TYR 109 -13.888 -4.680 11.778 453 HB2 TYR 109 HB2 TYR 109 -12.825 -3.024 10.049 454 HB3 TYR 109 HB3 TYR 109 -11.913 -4.365 10.657 455 HD1 TYR 109 HD2 TYR 109 -13.878 -3.235 7.650 456 HD2 TYR 109 HD1 TYR 109 -10.861 -5.901 9.204 457 HE1 TYR 109 HE2 TYR 109 -13.280 -3.918 5.329 458 HE2 TYR 109 HE1 TYR 109 -10.256 -6.559 6.867 459 HH TYR 109 HH TYR 109 -10.904 -6.473 4.648 Start of MODEL 8 1 H GLY 45 H GLY 45 -1.916 17.232 -3.791 2 HA2 GLY 45 HA2 GLY 45 -2.342 16.008 -5.906 3 HA3 GLY 45 HA3 GLY 45 -0.589 15.744 -5.954 4 H LEU 46 H LEU 46 -1.145 13.423 -5.852 5 HA LEU 46 HA LEU 46 -2.255 12.407 -3.322 6 HB2 LEU 46 HB2 LEU 46 -2.294 10.311 -4.306 7 HB3 LEU 46 HB3 LEU 46 -2.794 11.421 -5.565 8 HG LEU 46 HG LEU 46 -0.071 10.052 -5.318 9 HD11 LEU 46 HD11 LEU 46 -1.927 8.548 -5.941 10 HD12 LEU 46 HD12 LEU 46 -0.825 8.788 -7.303 11 HD13 LEU 46 HD13 LEU 46 -2.385 9.640 -7.267 12 HD21 LEU 46 HD21 LEU 46 0.329 10.892 -7.647 13 HD22 LEU 46 HD22 LEU 46 0.298 12.188 -6.456 14 HD23 LEU 46 HD23 LEU 46 -1.118 11.913 -7.499 15 H ILE 47 H ILE 47 0.778 13.420 -4.221 16 HA ILE 47 HA ILE 47 2.173 11.842 -2.107 17 HB ILE 47 HB ILE 47 3.395 13.234 -4.524 18 HG12 ILE 47 HG12 ILE 47 2.289 11.309 -5.412 19 HG13 ILE 47 HG13 ILE 47 3.998 10.966 -5.343 20 HG21 ILE 47 HG21 ILE 47 5.484 12.064 -3.883 21 HG22 ILE 47 HG22 ILE 47 4.962 13.214 -2.662 22 HG23 ILE 47 HG23 ILE 47 4.706 11.476 -2.406 23 HD11 ILE 47 HD11 ILE 47 1.834 9.873 -3.487 24 HD12 ILE 47 HD12 ILE 47 2.809 8.988 -4.664 25 HD13 ILE 47 HD13 ILE 47 3.568 9.639 -3.202 26 H LEU 48 H LEU 48 3.460 13.072 -0.688 27 HA LEU 48 HA LEU 48 2.413 15.802 -0.181 28 HB2 LEU 48 HB2 LEU 48 3.959 13.767 1.495 29 HB3 LEU 48 HB3 LEU 48 3.473 15.330 2.099 30 HG LEU 48 HG LEU 48 1.548 13.149 1.183 31 HD11 LEU 48 HD11 LEU 48 2.294 14.107 3.983 32 HD12 LEU 48 HD12 LEU 48 2.771 12.566 3.237 33 HD13 LEU 48 HD13 LEU 48 1.070 12.886 3.586 34 HD21 LEU 48 HD21 LEU 48 1.042 15.862 2.509 35 HD22 LEU 48 HD22 LEU 48 -0.175 14.584 2.316 36 HD23 LEU 48 HD23 LEU 48 0.515 15.355 0.886 37 HA PRO 49 HA PRO 49 6.216 17.788 -1.217 38 HB2 PRO 49 HB2 PRO 49 6.486 19.818 0.628 39 HB3 PRO 49 HB3 PRO 49 5.246 19.795 -0.664 40 HG2 PRO 49 HG2 PRO 49 4.937 18.898 2.220 41 HG3 PRO 49 HG3 PRO 49 3.887 20.022 1.296 42 HD2 PRO 49 HD2 PRO 49 3.238 17.419 1.546 43 HD3 PRO 49 HD3 PRO 49 3.006 18.247 -0.018 44 H ASN 50 H ASN 50 6.105 15.928 1.635 45 HA ASN 50 HA ASN 50 9.045 16.131 2.005 46 HB2 ASN 50 HB2 ASN 50 8.791 15.192 4.128 47 HB3 ASN 50 HB3 ASN 50 7.564 16.437 4.008 48 HD21 ASN 50 HD21 ASN 50 8.043 13.508 5.328 49 HD22 ASN 50 HD22 ASN 50 6.404 12.871 5.253 50 H GLY 51 H GLY 51 7.149 14.466 -0.060 51 HA2 GLY 51 HA2 GLY 51 7.815 12.748 -1.454 52 HA3 GLY 51 HA3 GLY 51 9.101 12.290 -0.317 53 H ASN 52 H ASN 52 6.573 12.226 1.683 54 HA ASN 52 HA ASN 52 6.005 9.378 1.411 55 HB2 ASN 52 HB2 ASN 52 6.173 10.412 3.616 56 HB3 ASN 52 HB3 ASN 52 4.900 11.565 3.213 57 HD21 ASN 52 HD21 ASN 52 3.149 11.006 4.562 58 HD22 ASN 52 HD22 ASN 52 2.462 9.411 4.551 59 H ILE 53 H ILE 53 3.724 8.565 1.299 60 HA ILE 53 HA ILE 53 2.119 9.847 -0.860 61 HB ILE 53 HB ILE 53 1.861 7.263 0.707 62 HG12 ILE 53 HG12 ILE 53 2.256 7.509 -2.293 63 HG13 ILE 53 HG13 ILE 53 3.650 7.610 -1.227 64 HG21 ILE 53 HG21 ILE 53 0.018 6.674 -0.911 65 HG22 ILE 53 HG22 ILE 53 -0.406 7.968 0.198 66 HG23 ILE 53 HG23 ILE 53 0.042 8.357 -1.481 67 HD11 ILE 53 HD11 ILE 53 3.319 5.333 -2.089 68 HD12 ILE 53 HD12 ILE 53 3.235 5.400 -0.318 69 HD13 ILE 53 HD13 ILE 53 1.746 5.244 -1.273 70 H ASN 54 H ASN 54 0.031 10.805 -0.493 71 HA ASN 54 HA ASN 54 -0.495 11.715 2.228 72 HB2 ASN 54 HB2 ASN 54 -1.024 13.178 0.348 73 HB3 ASN 54 HB3 ASN 54 -2.141 11.970 -0.304 74 HD21 ASN 54 HD21 ASN 54 -3.688 13.918 -0.086 75 HD22 ASN 54 HD22 ASN 54 -4.518 14.041 1.470 76 H TRP 55 H TRP 55 -0.733 9.880 3.508 77 HA TRP 55 HA TRP 55 -2.675 7.839 2.940 78 HB2 TRP 55 HB2 TRP 55 -1.382 8.586 5.569 79 HB3 TRP 55 HB3 TRP 55 -2.207 7.077 5.210 80 HD1 TRP 55 HD1 TRP 55 1.082 8.228 5.621 81 HE1 TRP 55 HE1 TRP 55 2.861 6.946 4.274 82 HE3 TRP 55 HE3 TRP 55 -1.999 5.708 2.372 83 HZ2 TRP 55 HZ2 TRP 55 2.913 4.850 2.292 84 HZ3 TRP 55 HZ3 TRP 55 -1.059 4.039 0.808 85 HH2 TRP 55 HH2 TRP 55 1.383 3.579 0.776 86 H ASN 56 H ASN 56 -3.446 11.003 3.618 87 HA ASN 56 HA ASN 56 -5.925 10.318 5.110 88 HB2 ASN 56 HB2 ASN 56 -4.325 12.422 5.374 89 HB3 ASN 56 HB3 ASN 56 -5.274 13.065 4.048 90 HD21 ASN 56 HD21 ASN 56 -5.357 11.936 7.435 91 HD22 ASN 56 HD22 ASN 56 -6.924 12.639 7.782 92 H CYS 57 H CYS 57 -4.952 10.391 1.821 93 HA CYS 57 HA CYS 57 -6.991 11.566 0.392 94 HB2 CYS 57 HB2 CYS 57 -5.212 9.165 -0.078 95 HB3 CYS 57 HB3 CYS 57 -6.448 9.565 -1.288 96 HG CYS 57 HG CYS 57 -3.663 10.473 -1.354 97 HA PRO 58 HA PRO 58 -10.685 9.446 1.423 98 HB2 PRO 58 HB2 PRO 58 -12.369 10.094 -0.671 99 HB3 PRO 58 HB3 PRO 58 -11.824 11.241 0.593 100 HG2 PRO 58 HG2 PRO 58 -10.626 10.802 -2.161 101 HG3 PRO 58 HG3 PRO 58 -11.092 12.358 -1.393 102 HD2 PRO 58 HD2 PRO 58 -8.531 11.499 -1.337 103 HD3 PRO 58 HD3 PRO 58 -9.256 12.257 0.113 104 H CYS 59 H CYS 59 -8.868 8.187 -1.122 105 HA CYS 59 HA CYS 59 -10.369 5.640 -0.842 106 HB2 CYS 59 HB2 CYS 59 -9.261 6.653 -3.519 107 HB3 CYS 59 HB3 CYS 59 -9.800 4.993 -3.187 108 HG CYS 59 HG CYS 59 -12.203 5.825 -2.278 109 H LEU 60 H LEU 60 -7.357 6.697 -2.435 110 HA LEU 60 HA LEU 60 -5.692 4.616 -1.774 111 HB2 LEU 60 HB2 LEU 60 -5.174 6.375 -3.372 112 HB3 LEU 60 HB3 LEU 60 -5.134 7.595 -2.104 113 HG LEU 60 HG LEU 60 -3.088 6.574 -1.148 114 HD11 LEU 60 HD11 LEU 60 -3.162 4.736 -3.593 115 HD12 LEU 60 HD12 LEU 60 -3.393 4.220 -1.909 116 HD13 LEU 60 HD13 LEU 60 -1.839 4.878 -2.413 117 HD21 LEU 60 HD21 LEU 60 -1.590 7.267 -3.001 118 HD22 LEU 60 HD22 LEU 60 -2.931 8.401 -2.776 119 HD23 LEU 60 HD23 LEU 60 -2.964 7.237 -4.123 120 H GLY 61 H GLY 61 -6.424 7.332 0.434 121 HA2 GLY 61 HA2 GLY 61 -4.416 6.494 2.426 122 HA3 GLY 61 HA3 GLY 61 -5.616 7.822 2.545 123 H GLY 62 H GLY 62 -8.012 6.606 2.175 124 HA2 GLY 62 HA2 GLY 62 -8.581 5.263 4.615 125 HA3 GLY 62 HA3 GLY 62 -9.639 5.289 3.183 126 H MET 63 H MET 63 -7.729 3.884 1.465 127 HA MET 63 HA MET 63 -8.150 1.118 2.227 128 HB2 MET 63 HB2 MET 63 -6.637 2.464 -0.041 129 HB3 MET 63 HB3 MET 63 -6.824 0.708 0.094 130 HG2 MET 63 HG2 MET 63 -9.235 0.861 -0.057 131 HG3 MET 63 HG3 MET 63 -9.207 2.604 0.097 132 HE1 MET 63 HE1 MET 63 -8.600 -0.446 -2.168 133 HE2 MET 63 HE2 MET 63 -7.982 0.257 -3.682 134 HE3 MET 63 HE3 MET 63 -6.956 0.230 -2.233 135 H ALA 64 H ALA 64 -5.718 3.214 3.302 136 HA ALA 64 HA ALA 64 -3.849 0.956 3.848 137 HB1 ALA 64 HB1 ALA 64 -2.230 2.655 4.372 138 HB2 ALA 64 HB2 ALA 64 -2.968 3.097 2.823 139 HB3 ALA 64 HB3 ALA 64 -3.461 3.944 4.309 140 H SER 65 H SER 65 -6.603 2.102 5.257 141 HA SER 65 HA SER 65 -5.624 2.014 8.051 142 HB2 SER 65 HB2 SER 65 -8.368 2.532 6.858 143 HB3 SER 65 HB3 SER 65 -7.981 2.560 8.589 144 HG SER 65 HG SER 65 -7.907 4.643 7.595 145 H GLY 66 H GLY 66 -6.499 0.546 9.605 146 HA2 GLY 66 HA2 GLY 66 -7.686 -1.410 10.289 147 HA3 GLY 66 HA3 GLY 66 -7.822 -1.934 8.596 148 HA PRO 67 HA PRO 67 -4.401 -3.930 11.120 149 HB2 PRO 67 HB2 PRO 67 -5.090 -6.587 10.926 150 HB3 PRO 67 HB3 PRO 67 -5.768 -5.452 12.124 151 HG2 PRO 67 HG2 PRO 67 -6.967 -6.252 9.456 152 HG3 PRO 67 HG3 PRO 67 -7.768 -6.217 11.063 153 HD2 PRO 67 HD2 PRO 67 -8.032 -4.165 9.306 154 HD3 PRO 67 HD3 PRO 67 -7.837 -3.840 11.059 155 H CYS 68 H CYS 68 -5.487 -5.083 7.842 156 HA CYS 68 HA CYS 68 -2.775 -5.959 7.172 157 HB2 CYS 68 HB2 CYS 68 -5.137 -5.312 5.383 158 HB3 CYS 68 HB3 CYS 68 -3.613 -5.983 4.835 159 H GLY 69 H GLY 69 -3.938 -2.863 7.713 160 HA2 GLY 69 HA2 GLY 69 -3.260 -1.339 5.483 161 HA3 GLY 69 HA3 GLY 69 -3.314 -0.750 7.157 162 H GLU 70 H GLU 70 -1.075 -2.305 8.152 163 HA GLU 70 HA GLU 70 1.203 -0.782 7.436 164 HB2 GLU 70 HB2 GLU 70 2.538 -2.656 8.439 165 HB3 GLU 70 HB3 GLU 70 1.292 -1.967 9.476 166 HG2 GLU 70 HG2 GLU 70 -0.154 -3.872 9.193 167 HG3 GLU 70 HG3 GLU 70 0.850 -4.524 7.899 168 H GLN 71 H GLN 71 -0.134 -3.634 5.802 169 HA GLN 71 HA GLN 71 2.306 -4.129 4.248 170 HB2 GLN 71 HB2 GLN 71 -0.493 -5.276 3.850 171 HB3 GLN 71 HB3 GLN 71 1.021 -5.893 3.210 172 HG2 GLN 71 HG2 GLN 71 0.160 -5.879 6.139 173 HG3 GLN 71 HG3 GLN 71 0.293 -7.273 5.084 174 HE21 GLN 71 HE21 GLN 71 1.848 -6.504 7.762 175 HE22 GLN 71 HE22 GLN 71 3.483 -6.782 7.195 176 H PHE 72 H PHE 72 -0.833 -2.418 3.683 177 HA PHE 72 HA PHE 72 -0.087 -1.889 0.901 178 HB2 PHE 72 HB2 PHE 72 -2.472 -2.072 1.657 179 HB3 PHE 72 HB3 PHE 72 -2.252 -0.590 2.583 180 HD1 PHE 72 HD2 PHE 72 -1.295 -1.645 -0.946 181 HD2 PHE 72 HD1 PHE 72 -3.422 1.156 1.536 182 HE1 PHE 72 HE2 PHE 72 -1.978 -0.373 -2.958 183 HE2 PHE 72 HE1 PHE 72 -4.100 2.430 -0.466 184 HZ PHE 72 HZ PHE 72 -3.364 1.678 -2.724 185 H LYS 73 H LYS 73 0.220 -0.192 4.020 186 HA LYS 73 HA LYS 73 1.356 2.258 3.059 187 HB2 LYS 73 HB2 LYS 73 1.981 0.583 5.532 188 HB3 LYS 73 HB3 LYS 73 2.701 2.143 5.238 189 HG2 LYS 73 HG2 LYS 73 -0.298 1.721 5.527 190 HG3 LYS 73 HG3 LYS 73 0.794 2.096 6.867 191 HD2 LYS 73 HD2 LYS 73 1.415 4.240 5.714 192 HD3 LYS 73 HD3 LYS 73 0.282 3.809 4.426 193 HE2 LYS 73 HE2 LYS 73 -0.913 5.318 5.796 194 HE3 LYS 73 HE3 LYS 73 -1.562 3.714 6.138 195 HZ1 LYS 73 HZ1 LYS 73 -0.027 3.736 8.133 196 HZ2 LYS 73 HZ2 LYS 73 -1.296 4.780 8.159 197 HZ3 LYS 73 HZ3 LYS 73 0.201 5.350 7.871 198 H SER 74 H SER 74 2.985 -0.866 3.848 199 HA SER 74 HA SER 74 5.522 -0.102 2.819 200 HB2 SER 74 HB2 SER 74 4.828 -2.050 4.389 201 HB3 SER 74 HB3 SER 74 4.596 -2.965 2.885 202 HG SER 74 HG SER 74 6.826 -2.487 2.369 203 H ALA 75 H ALA 75 2.935 -2.025 1.136 204 HA ALA 75 HA ALA 75 4.578 -2.568 -1.110 205 HB1 ALA 75 HB1 ALA 75 2.646 -3.938 -0.447 206 HB2 ALA 75 HB2 ALA 75 1.536 -2.603 -0.806 207 HB3 ALA 75 HB3 ALA 75 2.445 -3.376 -2.116 208 H PHE 76 H PHE 76 1.925 -0.083 -0.862 209 HA PHE 76 HA PHE 76 2.469 0.846 -3.553 210 HB2 PHE 76 HB2 PHE 76 0.388 1.158 -1.832 211 HB3 PHE 76 HB3 PHE 76 1.178 2.689 -1.575 212 HD1 PHE 76 HD2 PHE 76 -0.049 0.376 -4.264 213 HD2 PHE 76 HD1 PHE 76 0.739 4.465 -3.163 214 HE1 PHE 76 HE2 PHE 76 -1.146 1.153 -6.343 215 HE2 PHE 76 HE1 PHE 76 -0.361 5.228 -5.244 216 HZ PHE 76 HZ PHE 76 -1.297 3.587 -6.846 217 H SER 77 H SER 77 3.818 1.671 -0.386 218 HA SER 77 HA SER 77 5.345 3.986 -1.232 219 HB2 SER 77 HB2 SER 77 4.919 3.521 1.123 220 HB3 SER 77 HB3 SER 77 5.823 1.992 1.006 221 HG SER 77 HG SER 77 7.111 3.721 1.794 222 H CYS 78 H CYS 78 6.390 0.506 -0.826 223 HA CYS 78 HA CYS 78 9.001 0.894 -1.819 224 HB2 CYS 78 HB2 CYS 78 8.103 -1.092 -0.636 225 HB3 CYS 78 HB3 CYS 78 7.206 -1.569 -2.073 226 H PHE 79 H PHE 79 6.022 0.246 -3.694 227 HA PHE 79 HA PHE 79 7.260 0.176 -6.273 228 HB2 PHE 79 HB2 PHE 79 5.004 -0.576 -6.087 229 HB3 PHE 79 HB3 PHE 79 4.498 0.909 -5.279 230 HD1 PHE 79 HD2 PHE 79 6.271 0.100 -8.531 231 HD2 PHE 79 HD1 PHE 79 3.116 2.287 -6.554 232 HE1 PHE 79 HE2 PHE 79 5.626 1.114 -10.695 233 HE2 PHE 79 HE1 PHE 79 2.496 3.330 -8.721 234 HZ PHE 79 HZ PHE 79 3.748 2.739 -10.795 235 H HIS 80 H HIS 80 5.878 2.940 -4.421 236 HA HIS 80 HA HIS 80 6.365 4.852 -6.522 237 HB2 HIS 80 HB2 HIS 80 4.679 5.159 -4.747 238 HB3 HIS 80 HB3 HIS 80 5.924 5.205 -3.516 239 HD1 HIS 80 HD1 HIS 80 5.766 7.225 -6.855 240 HD2 HIS 80 HD2 HIS 80 5.984 7.679 -2.679 241 HE1 HIS 80 HE1 HIS 80 6.023 9.720 -6.401 242 H TYR 81 H TYR 81 8.209 4.258 -3.472 243 HA TYR 81 HA TYR 81 10.183 6.278 -3.945 244 HB2 TYR 81 HB2 TYR 81 9.979 3.854 -2.138 245 HB3 TYR 81 HB3 TYR 81 11.477 4.733 -2.248 246 HD1 TYR 81 HD1 TYR 81 7.829 5.343 -1.549 247 HD2 TYR 81 HD2 TYR 81 11.911 6.528 -0.827 248 HE1 TYR 81 HE1 TYR 81 7.055 6.900 0.229 249 HE2 TYR 81 HE2 TYR 81 11.143 8.069 0.975 250 HH TYR 81 HH TYR 81 9.333 8.849 2.205 251 H SER 82 H SER 82 9.929 3.027 -5.180 252 HA SER 82 HA SER 82 12.715 2.694 -5.964 253 HB2 SER 82 HB2 SER 82 11.235 0.800 -5.630 254 HB3 SER 82 HB3 SER 82 10.130 1.383 -6.898 255 HG SER 82 HG SER 82 11.825 -0.320 -7.406 256 H THR 83 H THR 83 10.135 4.598 -7.306 257 HA THR 83 HA THR 83 9.746 5.647 -9.282 258 HB THR 83 HB THR 83 11.495 6.950 -10.230 259 HG1 THR 83 HG1 THR 83 13.081 4.966 -9.132 260 HG21 THR 83 HG21 THR 83 10.701 7.618 -7.962 261 HG22 THR 83 HG22 THR 83 12.364 8.116 -8.316 262 HG23 THR 83 HG23 THR 83 12.067 6.729 -7.247 263 H GLU 84 H GLU 84 9.511 2.987 -9.532 264 HA GLU 84 HA GLU 84 11.176 2.000 -11.630 265 HB2 GLU 84 HB2 GLU 84 10.195 0.832 -9.479 266 HB3 GLU 84 HB3 GLU 84 8.969 0.269 -10.588 267 HG2 GLU 84 HG2 GLU 84 12.003 -0.055 -10.842 268 HG3 GLU 84 HG3 GLU 84 10.838 -1.319 -10.476 269 H GLU 85 H GLU 85 8.200 0.457 -12.222 270 HA GLU 85 HA GLU 85 7.027 2.274 -14.148 271 HB2 GLU 85 HB2 GLU 85 8.866 1.269 -15.556 272 HB3 GLU 85 HB3 GLU 85 8.208 -0.334 -15.209 273 HG2 GLU 85 HG2 GLU 85 5.972 0.542 -16.197 274 HG3 GLU 85 HG3 GLU 85 6.867 1.962 -16.711 275 H ILE 86 H ILE 86 7.229 -1.272 -13.515 276 HA ILE 86 HA ILE 86 4.308 -1.482 -13.594 277 HB ILE 86 HB ILE 86 6.343 -3.662 -12.971 278 HG12 ILE 86 HG12 ILE 86 7.004 -2.745 -15.108 279 HG13 ILE 86 HG13 ILE 86 6.285 -4.322 -15.319 280 HG21 ILE 86 HG21 ILE 86 4.580 -5.179 -13.905 281 HG22 ILE 86 HG22 ILE 86 4.128 -4.402 -12.393 282 HG23 ILE 86 HG23 ILE 86 3.457 -3.799 -13.926 283 HD11 ILE 86 HD11 ILE 86 5.596 -2.741 -17.077 284 HD12 ILE 86 HD12 ILE 86 4.191 -3.303 -16.153 285 HD13 ILE 86 HD13 ILE 86 4.860 -1.676 -15.872 286 H LYS 87 H LYS 87 2.956 -2.313 -11.888 287 HA LYS 87 HA LYS 87 3.330 -1.020 -9.401 288 HB2 LYS 87 HB2 LYS 87 1.384 -3.159 -10.336 289 HB3 LYS 87 HB3 LYS 87 1.312 -2.477 -8.717 290 HG2 LYS 87 HG2 LYS 87 0.939 -0.897 -11.292 291 HG3 LYS 87 HG3 LYS 87 -0.316 -1.454 -10.188 292 HD2 LYS 87 HD2 LYS 87 1.140 -0.097 -8.390 293 HD3 LYS 87 HD3 LYS 87 1.678 0.769 -9.835 294 HE2 LYS 87 HE2 LYS 87 -1.217 0.381 -8.928 295 HE3 LYS 87 HE3 LYS 87 -0.258 1.845 -8.657 296 HZ1 LYS 87 HZ1 LYS 87 -0.226 2.252 -10.997 297 HZ2 LYS 87 HZ2 LYS 87 -1.793 1.923 -10.609 298 HZ3 LYS 87 HZ3 LYS 87 -0.903 0.793 -11.349 299 H GLY 88 H GLY 88 5.444 -1.745 -8.834 300 HA2 GLY 88 HA2 GLY 88 6.447 -2.514 -6.811 301 HA3 GLY 88 HA3 GLY 88 5.271 -3.859 -6.745 302 H SER 89 H SER 89 7.248 -3.106 -9.677 303 HA SER 89 HA SER 89 7.887 -5.561 -10.426 304 HB2 SER 89 HB2 SER 89 10.031 -3.431 -10.435 305 HB3 SER 89 HB3 SER 89 9.729 -4.700 -11.640 306 HG SER 89 HG SER 89 8.988 -2.525 -12.189 307 H ASP 90 H ASP 90 10.438 -3.988 -8.355 308 HA ASP 90 HA ASP 90 11.513 -6.665 -7.684 309 HB2 ASP 90 HB2 ASP 90 12.562 -3.958 -7.950 310 HB3 ASP 90 HB3 ASP 90 12.930 -4.562 -6.354 311 H CYS 91 H CYS 91 9.052 -4.918 -6.534 312 HA CYS 91 HA CYS 91 9.533 -5.236 -3.600 313 HB2 CYS 91 HB2 CYS 91 7.511 -3.636 -5.200 314 HB3 CYS 91 HB3 CYS 91 7.528 -3.708 -3.447 315 H VAL 92 H VAL 92 8.231 -7.151 -5.892 316 HA VAL 92 HA VAL 92 5.615 -7.675 -5.411 317 HB VAL 92 HB VAL 92 7.709 -9.807 -5.986 318 HG11 VAL 92 HG11 VAL 92 5.639 -10.981 -5.394 319 HG12 VAL 92 HG12 VAL 92 4.684 -9.887 -6.423 320 HG13 VAL 92 HG13 VAL 92 5.833 -11.035 -7.143 321 HG21 VAL 92 HG21 VAL 92 7.089 -9.425 -8.354 322 HG22 VAL 92 HG22 VAL 92 5.958 -8.146 -7.856 323 HG23 VAL 92 HG23 VAL 92 7.700 -7.950 -7.604 324 H ASP 93 H ASP 93 8.202 -8.745 -3.242 325 HA ASP 93 HA ASP 93 6.916 -10.734 -1.735 326 HB2 ASP 93 HB2 ASP 93 9.328 -9.923 -1.747 327 HB3 ASP 93 HB3 ASP 93 8.819 -8.553 -0.762 328 H GLN 94 H GLN 94 6.655 -7.190 -1.462 329 HA GLN 94 HA GLN 94 4.950 -7.292 0.951 330 HB2 GLN 94 HB2 GLN 94 5.931 -5.052 -0.863 331 HB3 GLN 94 HB3 GLN 94 4.894 -4.785 0.545 332 HG2 GLN 94 HG2 GLN 94 6.547 -5.331 2.090 333 HG3 GLN 94 HG3 GLN 94 7.453 -6.342 0.967 334 HE21 GLN 94 HE21 GLN 94 9.196 -5.426 -0.163 335 HE22 GLN 94 HE22 GLN 94 9.445 -3.673 -0.202 336 H PHE 95 H PHE 95 4.512 -6.825 -2.570 337 HA PHE 95 HA PHE 95 1.693 -6.169 -2.405 338 HB2 PHE 95 HB2 PHE 95 3.502 -7.209 -4.606 339 HB3 PHE 95 HB3 PHE 95 1.763 -7.097 -4.830 340 HD1 PHE 95 HD2 PHE 95 4.775 -5.028 -3.973 341 HD2 PHE 95 HD1 PHE 95 0.684 -5.053 -5.333 342 HE1 PHE 95 HE2 PHE 95 4.904 -2.593 -4.414 343 HE2 PHE 95 HE1 PHE 95 0.822 -2.616 -5.792 344 HZ PHE 95 HZ PHE 95 2.927 -1.380 -5.313 345 H ARG 96 H ARG 96 3.520 -9.192 -2.405 346 HA ARG 96 HA ARG 96 1.213 -10.942 -2.436 347 HB2 ARG 96 HB2 ARG 96 3.999 -11.350 -2.560 348 HB3 ARG 96 HB3 ARG 96 3.576 -11.956 -0.970 349 HG2 ARG 96 HG2 ARG 96 3.358 -13.809 -2.433 350 HG3 ARG 96 HG3 ARG 96 1.700 -13.287 -2.104 351 HD2 ARG 96 HD2 ARG 96 1.865 -11.928 -4.300 352 HD3 ARG 96 HD3 ARG 96 3.388 -12.758 -4.598 353 HE ARG 96 HE ARG 96 2.210 -14.864 -4.724 354 HH11 ARG 96 HH11 ARG 96 0.011 -12.071 -4.821 355 HH12 ARG 96 HH12 ARG 96 -1.298 -12.995 -5.462 356 HH21 ARG 96 HH21 ARG 96 0.448 -16.026 -5.440 357 HH22 ARG 96 HH22 ARG 96 -1.101 -15.268 -5.625 358 H ALA 97 H ALA 97 3.339 -9.818 0.277 359 HA ALA 97 HA ALA 97 1.880 -10.741 2.437 360 HB1 ALA 97 HB1 ALA 97 4.124 -9.636 2.488 361 HB2 ALA 97 HB2 ALA 97 3.309 -8.068 2.249 362 HB3 ALA 97 HB3 ALA 97 3.003 -9.005 3.716 363 H MET 98 H MET 98 1.199 -7.756 0.618 364 HA MET 98 HA MET 98 -1.103 -6.983 2.170 365 HB2 MET 98 HB2 MET 98 0.297 -5.535 0.625 366 HB3 MET 98 HB3 MET 98 -0.465 -6.337 -0.741 367 HG2 MET 98 HG2 MET 98 -2.653 -5.528 0.847 368 HG3 MET 98 HG3 MET 98 -1.476 -4.247 1.089 369 HE1 MET 98 HE1 MET 98 -3.997 -5.965 -1.175 370 HE2 MET 98 HE2 MET 98 -3.635 -5.380 -2.810 371 HE3 MET 98 HE3 MET 98 -2.537 -6.533 -2.029 372 H GLN 99 H GLN 99 -0.997 -8.637 -1.081 373 HA GLN 99 HA GLN 99 -3.858 -8.880 -1.166 374 HB2 GLN 99 HB2 GLN 99 -2.409 -8.859 -3.176 375 HB3 GLN 99 HB3 GLN 99 -1.766 -10.449 -2.742 376 HG2 GLN 99 HG2 GLN 99 -3.957 -11.485 -3.057 377 HG3 GLN 99 HG3 GLN 99 -4.735 -9.912 -3.227 378 HE21 GLN 99 HE21 GLN 99 -4.879 -9.005 -5.324 379 HE22 GLN 99 HE22 GLN 99 -4.091 -9.719 -6.711 380 H GLU 100 H GLU 100 -1.401 -11.143 0.122 381 HA GLU 100 HA GLU 100 -3.258 -13.303 0.500 382 HB2 GLU 100 HB2 GLU 100 -1.549 -14.405 1.694 383 HB3 GLU 100 HB3 GLU 100 -0.776 -13.523 0.393 384 HG2 GLU 100 HG2 GLU 100 -0.318 -11.667 2.144 385 HG3 GLU 100 HG3 GLU 100 -0.773 -12.885 3.354 386 H CYS 101 H CYS 101 -2.157 -10.681 2.693 387 HA CYS 101 HA CYS 101 -3.653 -11.467 5.000 388 HB2 CYS 101 HB2 CYS 101 -1.748 -9.876 4.927 389 HB3 CYS 101 HB3 CYS 101 -2.728 -8.704 4.043 390 H MET 102 H MET 102 -4.529 -9.300 2.276 391 HA MET 102 HA MET 102 -7.080 -8.625 3.473 392 HB2 MET 102 HB2 MET 102 -5.961 -8.103 0.698 393 HB3 MET 102 HB3 MET 102 -7.502 -7.472 1.313 394 HG2 MET 102 HG2 MET 102 -6.283 -6.406 3.227 395 HG3 MET 102 HG3 MET 102 -4.758 -6.967 2.540 396 HE1 MET 102 HE1 MET 102 -8.067 -5.195 1.164 397 HE2 MET 102 HE2 MET 102 -7.501 -4.287 2.580 398 HE3 MET 102 HE3 MET 102 -7.419 -3.551 0.976 399 H GLN 103 H GLN 103 -6.169 -11.312 1.387 400 HA GLN 103 HA GLN 103 -9.038 -11.918 1.031 401 HB2 GLN 103 HB2 GLN 103 -8.523 -13.745 -0.322 402 HB3 GLN 103 HB3 GLN 103 -7.441 -12.336 -0.806 403 HG2 GLN 103 HG2 GLN 103 -6.076 -14.237 -0.887 404 HG3 GLN 103 HG3 GLN 103 -5.606 -13.493 0.581 405 HE21 GLN 103 HE21 GLN 103 -5.508 -14.881 2.382 406 HE22 GLN 103 HE22 GLN 103 -6.386 -16.427 2.415 407 H LYS 104 H LYS 104 -6.736 -12.461 3.576 408 HA LYS 104 HA LYS 104 -8.413 -14.583 4.734 409 HB2 LYS 104 HB2 LYS 104 -6.094 -13.003 5.905 410 HB3 LYS 104 HB3 LYS 104 -7.013 -14.262 6.768 411 HG2 LYS 104 HG2 LYS 104 -6.321 -15.874 4.880 412 HG3 LYS 104 HG3 LYS 104 -5.211 -14.613 4.353 413 HD2 LYS 104 HD2 LYS 104 -3.869 -15.979 5.643 414 HD3 LYS 104 HD3 LYS 104 -4.244 -14.666 6.755 415 HE2 LYS 104 HE2 LYS 104 -5.919 -16.054 7.905 416 HE3 LYS 104 HE3 LYS 104 -5.817 -17.278 6.623 417 HZ1 LYS 104 HZ1 LYS 104 -3.790 -16.716 8.701 418 HZ2 LYS 104 HZ2 LYS 104 -3.411 -17.509 7.296 419 HZ3 LYS 104 HZ3 LYS 104 -4.518 -18.141 8.312 420 H TYR 105 H TYR 105 -8.307 -11.133 4.653 421 HA TYR 105 HA TYR 105 -10.460 -10.921 6.730 422 HB2 TYR 105 HB2 TYR 105 -8.318 -8.954 5.880 423 HB3 TYR 105 HB3 TYR 105 -9.656 -8.551 6.935 424 HD1 TYR 105 HD1 TYR 105 -9.251 -11.547 8.399 425 HD2 TYR 105 HD2 TYR 105 -6.965 -7.964 7.690 426 HE1 TYR 105 HE1 TYR 105 -7.870 -12.046 10.378 427 HE2 TYR 105 HE2 TYR 105 -5.519 -8.506 9.649 428 HH TYR 105 HH TYR 105 -6.099 -11.378 11.698 429 HA PRO 106 HA PRO 106 -12.482 -9.723 2.749 430 HB2 PRO 106 HB2 PRO 106 -14.931 -10.895 3.224 431 HB3 PRO 106 HB3 PRO 106 -13.526 -11.735 2.493 432 HG2 PRO 106 HG2 PRO 106 -14.436 -11.784 5.391 433 HG3 PRO 106 HG3 PRO 106 -13.928 -13.152 4.358 434 HD2 PRO 106 HD2 PRO 106 -12.231 -11.978 6.127 435 HD3 PRO 106 HD3 PRO 106 -11.650 -12.588 4.551 436 H ASP 107 H ASP 107 -14.669 -9.854 5.666 437 HA ASP 107 HA ASP 107 -14.727 -6.943 5.821 438 HB2 ASP 107 HB2 ASP 107 -16.206 -7.725 3.814 439 HB3 ASP 107 HB3 ASP 107 -17.375 -8.172 5.046 440 H LEU 108 H LEU 108 -13.875 -8.054 7.810 441 HA LEU 108 HA LEU 108 -16.005 -8.407 9.855 442 HB2 LEU 108 HB2 LEU 108 -14.360 -9.355 11.305 443 HB3 LEU 108 HB3 LEU 108 -14.401 -10.218 9.789 444 HG LEU 108 HG LEU 108 -12.189 -10.102 10.679 445 HD11 LEU 108 HD11 LEU 108 -12.473 -10.063 8.185 446 HD12 LEU 108 HD12 LEU 108 -10.924 -9.447 8.794 447 HD13 LEU 108 HD13 LEU 108 -12.153 -8.307 8.236 448 HD21 LEU 108 HD21 LEU 108 -12.119 -7.084 10.388 449 HD22 LEU 108 HD22 LEU 108 -10.845 -8.152 10.993 450 HD23 LEU 108 HD23 LEU 108 -12.338 -7.950 11.929 451 H TYR 109 H TYR 109 -14.545 -5.952 8.511 452 HA TYR 109 HA TYR 109 -14.644 -4.186 10.896 453 HB2 TYR 109 HB2 TYR 109 -13.242 -2.663 9.243 454 HB3 TYR 109 HB3 TYR 109 -12.510 -3.842 10.289 455 HD1 TYR 109 HD2 TYR 109 -14.127 -4.414 6.904 456 HD2 TYR 109 HD1 TYR 109 -10.521 -4.394 9.272 457 HE1 TYR 109 HE2 TYR 109 -12.870 -5.446 5.004 458 HE2 TYR 109 HE1 TYR 109 -9.251 -5.349 7.328 459 HH TYR 109 HH TYR 109 -10.793 -6.474 4.386 Start of MODEL 9 1 H GLY 45 H GLY 45 -1.827 15.938 -5.458 2 HA2 GLY 45 HA2 GLY 45 -3.472 14.438 -6.278 3 HA3 GLY 45 HA3 GLY 45 -2.196 13.567 -7.164 4 H LEU 46 H LEU 46 -2.102 11.598 -6.142 5 HA LEU 46 HA LEU 46 -2.419 11.218 -3.367 6 HB2 LEU 46 HB2 LEU 46 -1.920 8.962 -3.791 7 HB3 LEU 46 HB3 LEU 46 -2.859 9.555 -5.142 8 HG LEU 46 HG LEU 46 0.134 8.958 -5.098 9 HD11 LEU 46 HD11 LEU 46 -0.461 7.099 -6.576 10 HD12 LEU 46 HD12 LEU 46 -2.170 7.591 -6.558 11 HD13 LEU 46 HD13 LEU 46 -1.395 6.999 -5.077 12 HD21 LEU 46 HD21 LEU 46 -0.185 10.771 -6.727 13 HD22 LEU 46 HD22 LEU 46 -1.566 9.910 -7.452 14 HD23 LEU 46 HD23 LEU 46 0.078 9.255 -7.577 15 H ILE 47 H ILE 47 0.406 12.428 -4.816 16 HA ILE 47 HA ILE 47 2.169 11.474 -2.609 17 HB ILE 47 HB ILE 47 2.883 12.845 -5.223 18 HG12 ILE 47 HG12 ILE 47 2.021 10.699 -5.832 19 HG13 ILE 47 HG13 ILE 47 3.758 10.631 -5.946 20 HG21 ILE 47 HG21 ILE 47 4.648 11.542 -3.109 21 HG22 ILE 47 HG22 ILE 47 5.197 12.040 -4.723 22 HG23 ILE 47 HG23 ILE 47 4.610 13.249 -3.591 23 HD11 ILE 47 HD11 ILE 47 2.927 8.567 -4.970 24 HD12 ILE 47 HD12 ILE 47 3.823 9.441 -3.718 25 HD13 ILE 47 HD13 ILE 47 2.051 9.436 -3.707 26 H LEU 48 H LEU 48 3.172 12.822 -1.232 27 HA LEU 48 HA LEU 48 2.069 15.515 -0.811 28 HB2 LEU 48 HB2 LEU 48 3.940 13.658 0.737 29 HB3 LEU 48 HB3 LEU 48 3.484 15.251 1.333 30 HG LEU 48 HG LEU 48 1.458 13.056 0.801 31 HD11 LEU 48 HD11 LEU 48 3.029 12.278 2.499 32 HD12 LEU 48 HD12 LEU 48 1.477 12.688 3.255 33 HD13 LEU 48 HD13 LEU 48 2.853 13.806 3.392 34 HD21 LEU 48 HD21 LEU 48 0.043 14.443 2.327 35 HD22 LEU 48 HD22 LEU 48 0.474 15.310 0.839 36 HD23 LEU 48 HD23 LEU 48 1.322 15.667 2.362 37 HA PRO 49 HA PRO 49 5.611 17.578 -2.466 38 HB2 PRO 49 HB2 PRO 49 5.936 19.792 -0.860 39 HB3 PRO 49 HB3 PRO 49 4.586 19.580 -2.012 40 HG2 PRO 49 HG2 PRO 49 4.610 18.982 0.970 41 HG3 PRO 49 HG3 PRO 49 3.401 19.923 0.038 42 HD2 PRO 49 HD2 PRO 49 2.967 17.330 0.623 43 HD3 PRO 49 HD3 PRO 49 2.518 17.973 -0.984 44 H ASN 50 H ASN 50 5.914 16.218 0.721 45 HA ASN 50 HA ASN 50 8.810 16.714 0.876 46 HB2 ASN 50 HB2 ASN 50 8.726 15.753 3.015 47 HB3 ASN 50 HB3 ASN 50 7.312 16.790 2.914 48 HD21 ASN 50 HD21 ASN 50 7.942 14.342 4.605 49 HD22 ASN 50 HD22 ASN 50 6.541 13.305 4.349 50 H GLY 51 H GLY 51 6.878 14.552 -0.815 51 HA2 GLY 51 HA2 GLY 51 7.704 12.878 -2.237 52 HA3 GLY 51 HA3 GLY 51 9.128 12.645 -1.189 53 H ASN 52 H ASN 52 6.566 12.554 0.945 54 HA ASN 52 HA ASN 52 6.365 9.603 0.769 55 HB2 ASN 52 HB2 ASN 52 6.783 10.654 2.965 56 HB3 ASN 52 HB3 ASN 52 5.240 11.499 2.847 57 HD21 ASN 52 HD21 ASN 52 4.354 10.465 4.717 58 HD22 ASN 52 HD22 ASN 52 3.864 8.785 4.665 59 H ILE 53 H ILE 53 4.047 8.752 1.206 60 HA ILE 53 HA ILE 53 2.241 9.802 -0.924 61 HB ILE 53 HB ILE 53 2.107 7.193 0.659 62 HG12 ILE 53 HG12 ILE 53 3.455 7.865 -2.003 63 HG13 ILE 53 HG13 ILE 53 4.182 7.179 -0.565 64 HG21 ILE 53 HG21 ILE 53 0.729 8.046 -1.951 65 HG22 ILE 53 HG22 ILE 53 0.558 6.484 -1.120 66 HG23 ILE 53 HG23 ILE 53 -0.049 7.922 -0.354 67 HD11 ILE 53 HD11 ILE 53 4.032 5.454 -2.152 68 HD12 ILE 53 HD12 ILE 53 2.811 5.098 -0.913 69 HD13 ILE 53 HD13 ILE 53 2.334 5.791 -2.492 70 H ASN 54 H ASN 54 0.206 10.563 -0.517 71 HA ASN 54 HA ASN 54 -0.311 11.555 2.167 72 HB2 ASN 54 HB2 ASN 54 -0.750 12.722 -0.067 73 HB3 ASN 54 HB3 ASN 54 -2.161 11.712 -0.239 74 HD21 ASN 54 HD21 ASN 54 -2.749 11.914 2.880 75 HD22 ASN 54 HD22 ASN 54 -3.292 13.568 2.993 76 H TRP 55 H TRP 55 -0.398 9.499 3.271 77 HA TRP 55 HA TRP 55 -2.635 7.713 3.134 78 HB2 TRP 55 HB2 TRP 55 -1.160 8.573 5.636 79 HB3 TRP 55 HB3 TRP 55 -2.030 7.056 5.378 80 HD1 TRP 55 HD1 TRP 55 1.115 7.779 6.145 81 HE1 TRP 55 HE1 TRP 55 2.959 6.422 4.986 82 HE3 TRP 55 HE3 TRP 55 -1.545 6.039 2.096 83 HZ2 TRP 55 HZ2 TRP 55 3.211 4.694 2.715 84 HZ3 TRP 55 HZ3 TRP 55 -0.482 4.462 0.516 85 HH2 TRP 55 HH2 TRP 55 1.892 3.784 0.815 86 H ASN 56 H ASN 56 -4.263 7.602 5.070 87 HA ASN 56 HA ASN 56 -6.101 8.385 6.079 88 HB2 ASN 56 HB2 ASN 56 -3.952 9.687 7.167 89 HB3 ASN 56 HB3 ASN 56 -4.955 11.061 6.720 90 HD21 ASN 56 HD21 ASN 56 -7.585 10.028 7.286 91 HD22 ASN 56 HD22 ASN 56 -7.641 9.713 9.018 92 H CYS 57 H CYS 57 -5.268 9.931 3.224 93 HA CYS 57 HA CYS 57 -7.299 11.871 2.907 94 HB2 CYS 57 HB2 CYS 57 -5.287 10.472 1.257 95 HB3 CYS 57 HB3 CYS 57 -6.772 10.806 0.349 96 HG CYS 57 HG CYS 57 -4.819 12.748 0.163 97 HA PRO 58 HA PRO 58 -11.039 9.690 2.313 98 HB2 PRO 58 HB2 PRO 58 -12.548 11.360 0.803 99 HB3 PRO 58 HB3 PRO 58 -11.865 11.857 2.379 100 HG2 PRO 58 HG2 PRO 58 -10.674 12.361 -0.375 101 HG3 PRO 58 HG3 PRO 58 -11.049 13.566 0.902 102 HD2 PRO 58 HD2 PRO 58 -8.576 12.490 0.656 103 HD3 PRO 58 HD3 PRO 58 -9.279 12.829 2.265 104 H CYS 59 H CYS 59 -9.399 8.220 0.977 105 HA CYS 59 HA CYS 59 -10.795 6.656 -0.813 106 HB2 CYS 59 HB2 CYS 59 -10.750 8.338 -2.534 107 HB3 CYS 59 HB3 CYS 59 -9.017 8.593 -2.362 108 HG CYS 59 HG CYS 59 -9.878 7.159 -4.612 109 H LEU 60 H LEU 60 -7.545 7.200 -1.824 110 HA LEU 60 HA LEU 60 -6.338 4.834 -1.186 111 HB2 LEU 60 HB2 LEU 60 -5.394 6.629 -2.579 112 HB3 LEU 60 HB3 LEU 60 -5.161 7.645 -1.164 113 HG LEU 60 HG LEU 60 -3.481 6.047 -0.262 114 HD11 LEU 60 HD11 LEU 60 -2.560 4.288 -1.750 115 HD12 LEU 60 HD12 LEU 60 -3.853 4.588 -2.934 116 HD13 LEU 60 HD13 LEU 60 -4.231 3.938 -1.325 117 HD21 LEU 60 HD21 LEU 60 -2.798 7.969 -1.635 118 HD22 LEU 60 HD22 LEU 60 -2.955 6.986 -3.112 119 HD23 LEU 60 HD23 LEU 60 -1.731 6.587 -1.891 120 H GLY 61 H GLY 61 -6.864 7.456 1.176 121 HA2 GLY 61 HA2 GLY 61 -5.134 6.484 3.227 122 HA3 GLY 61 HA3 GLY 61 -6.586 7.495 3.476 123 H GLY 62 H GLY 62 -8.388 5.418 2.260 124 HA2 GLY 62 HA2 GLY 62 -8.825 3.721 4.594 125 HA3 GLY 62 HA3 GLY 62 -9.744 3.723 3.068 126 H MET 63 H MET 63 -7.570 3.250 1.282 127 HA MET 63 HA MET 63 -7.138 0.396 1.403 128 HB2 MET 63 HB2 MET 63 -5.555 2.488 -0.137 129 HB3 MET 63 HB3 MET 63 -5.622 0.764 -0.474 130 HG2 MET 63 HG2 MET 63 -7.969 0.926 -1.104 131 HG3 MET 63 HG3 MET 63 -8.037 2.630 -0.651 132 HE1 MET 63 HE1 MET 63 -9.170 3.054 -2.975 133 HE2 MET 63 HE2 MET 63 -8.410 2.723 -4.542 134 HE3 MET 63 HE3 MET 63 -8.950 1.377 -3.514 135 H ALA 64 H ALA 64 -5.272 3.130 2.593 136 HA ALA 64 HA ALA 64 -3.025 1.440 3.510 137 HB1 ALA 64 HB1 ALA 64 -3.646 4.420 3.858 138 HB2 ALA 64 HB2 ALA 64 -2.103 3.617 4.210 139 HB3 ALA 64 HB3 ALA 64 -2.681 3.704 2.545 140 H SER 65 H SER 65 -6.073 1.547 4.685 141 HA SER 65 HA SER 65 -5.269 1.675 7.557 142 HB2 SER 65 HB2 SER 65 -7.912 2.444 6.286 143 HB3 SER 65 HB3 SER 65 -7.624 2.309 8.035 144 HG SER 65 HG SER 65 -6.477 4.133 6.203 145 H GLY 66 H GLY 66 -7.634 0.540 8.617 146 HA2 GLY 66 HA2 GLY 66 -8.566 -1.522 9.123 147 HA3 GLY 66 HA3 GLY 66 -8.152 -2.050 7.480 148 HA PRO 67 HA PRO 67 -5.435 -4.336 10.509 149 HB2 PRO 67 HB2 PRO 67 -5.857 -6.875 9.531 150 HB3 PRO 67 HB3 PRO 67 -6.901 -6.098 10.743 151 HG2 PRO 67 HG2 PRO 67 -7.344 -6.286 7.754 152 HG3 PRO 67 HG3 PRO 67 -8.517 -6.598 9.072 153 HD2 PRO 67 HD2 PRO 67 -8.441 -4.223 7.738 154 HD3 PRO 67 HD3 PRO 67 -8.796 -4.288 9.498 155 H CYS 68 H CYS 68 -5.807 -4.929 6.950 156 HA CYS 68 HA CYS 68 -3.052 -5.736 6.671 157 HB2 CYS 68 HB2 CYS 68 -5.086 -4.968 4.552 158 HB3 CYS 68 HB3 CYS 68 -3.597 -5.881 4.302 159 H GLY 69 H GLY 69 -4.260 -2.614 7.028 160 HA2 GLY 69 HA2 GLY 69 -3.279 -1.108 4.975 161 HA3 GLY 69 HA3 GLY 69 -3.444 -0.512 6.632 162 H GLU 70 H GLU 70 -1.251 -2.284 7.666 163 HA GLU 70 HA GLU 70 1.015 -0.613 7.028 164 HB2 GLU 70 HB2 GLU 70 2.347 -2.144 8.405 165 HB3 GLU 70 HB3 GLU 70 0.912 -1.510 9.231 166 HG2 GLU 70 HG2 GLU 70 -0.217 -3.615 9.113 167 HG3 GLU 70 HG3 GLU 70 0.911 -4.255 7.930 168 H GLN 71 H GLN 71 -0.090 -3.710 5.697 169 HA GLN 71 HA GLN 71 2.461 -4.207 4.320 170 HB2 GLN 71 HB2 GLN 71 -0.223 -5.478 3.678 171 HB3 GLN 71 HB3 GLN 71 1.403 -6.099 3.343 172 HG2 GLN 71 HG2 GLN 71 -0.075 -6.005 5.987 173 HG3 GLN 71 HG3 GLN 71 0.473 -7.416 5.109 174 HE21 GLN 71 HE21 GLN 71 1.004 -6.833 7.887 175 HE22 GLN 71 HE22 GLN 71 2.635 -6.334 8.089 176 H PHE 72 H PHE 72 -0.745 -2.799 3.540 177 HA PHE 72 HA PHE 72 -0.117 -2.240 0.793 178 HB2 PHE 72 HB2 PHE 72 -2.412 -2.250 2.005 179 HB3 PHE 72 HB3 PHE 72 -2.017 -0.623 2.524 180 HD1 PHE 72 HD2 PHE 72 -1.426 1.112 0.626 181 HD2 PHE 72 HD1 PHE 72 -3.375 -2.669 -0.103 182 HE1 PHE 72 HE2 PHE 72 -2.183 1.925 -1.594 183 HE2 PHE 72 HE1 PHE 72 -4.138 -1.854 -2.310 184 HZ PHE 72 HZ PHE 72 -3.548 0.449 -3.061 185 H LYS 73 H LYS 73 0.323 -0.311 3.816 186 HA LYS 73 HA LYS 73 1.512 1.996 2.604 187 HB2 LYS 73 HB2 LYS 73 1.843 0.687 5.322 188 HB3 LYS 73 HB3 LYS 73 2.734 2.141 4.875 189 HG2 LYS 73 HG2 LYS 73 0.725 3.434 4.596 190 HG3 LYS 73 HG3 LYS 73 -0.303 2.016 4.771 191 HD2 LYS 73 HD2 LYS 73 0.562 1.691 7.097 192 HD3 LYS 73 HD3 LYS 73 1.545 3.165 6.913 193 HE2 LYS 73 HE2 LYS 73 -0.522 4.488 6.551 194 HE3 LYS 73 HE3 LYS 73 -1.493 3.014 6.699 195 HZ1 LYS 73 HZ1 LYS 73 0.193 4.226 8.796 196 HZ2 LYS 73 HZ2 LYS 73 -0.632 2.800 8.986 197 HZ3 LYS 73 HZ3 LYS 73 -1.450 4.215 8.777 198 H SER 74 H SER 74 3.106 -1.034 3.780 199 HA SER 74 HA SER 74 5.753 -0.226 3.011 200 HB2 SER 74 HB2 SER 74 4.922 -2.131 4.586 201 HB3 SER 74 HB3 SER 74 4.853 -3.110 3.113 202 HG SER 74 HG SER 74 7.085 -1.682 4.202 203 H ALA 75 H ALA 75 3.441 -2.389 1.241 204 HA ALA 75 HA ALA 75 4.884 -2.787 -1.116 205 HB1 ALA 75 HB1 ALA 75 2.773 -3.923 -0.496 206 HB2 ALA 75 HB2 ALA 75 1.885 -2.392 -0.631 207 HB3 ALA 75 HB3 ALA 75 2.580 -3.135 -2.073 208 H PHE 76 H PHE 76 2.579 -0.110 -0.472 209 HA PHE 76 HA PHE 76 3.051 0.974 -3.099 210 HB2 PHE 76 HB2 PHE 76 0.922 0.894 -1.582 211 HB3 PHE 76 HB3 PHE 76 1.554 2.372 -0.888 212 HD1 PHE 76 HD1 PHE 76 1.012 0.805 -4.292 213 HD2 PHE 76 HD2 PHE 76 0.535 4.287 -1.807 214 HE1 PHE 76 HE1 PHE 76 -0.196 1.957 -6.134 215 HE2 PHE 76 HE2 PHE 76 -0.660 5.437 -3.645 216 HZ PHE 76 HZ PHE 76 -1.047 4.266 -5.810 217 H SER 77 H SER 77 4.358 1.838 0.142 218 HA SER 77 HA SER 77 5.671 4.265 -0.836 219 HB2 SER 77 HB2 SER 77 7.058 4.114 1.183 220 HB3 SER 77 HB3 SER 77 5.334 4.040 1.549 221 HG SER 77 HG SER 77 5.482 1.884 1.932 222 H CYS 78 H CYS 78 6.762 0.852 -0.440 223 HA CYS 78 HA CYS 78 9.371 1.227 -1.468 224 HB2 CYS 78 HB2 CYS 78 8.455 -0.785 -0.295 225 HB3 CYS 78 HB3 CYS 78 7.555 -1.216 -1.744 226 H PHE 79 H PHE 79 6.354 0.453 -3.258 227 HA PHE 79 HA PHE 79 7.535 0.441 -5.856 228 HB2 PHE 79 HB2 PHE 79 5.371 -0.505 -5.490 229 HB3 PHE 79 HB3 PHE 79 4.743 0.999 -4.818 230 HD1 PHE 79 HD1 PHE 79 6.646 0.239 -8.001 231 HD2 PHE 79 HD2 PHE 79 3.063 1.853 -6.212 232 HE1 PHE 79 HE1 PHE 79 5.888 1.027 -10.209 233 HE2 PHE 79 HE2 PHE 79 2.311 2.638 -8.439 234 HZ PHE 79 HZ PHE 79 3.730 2.233 -10.450 235 H HIS 80 H HIS 80 6.203 3.212 -3.955 236 HA HIS 80 HA HIS 80 6.646 5.101 -6.092 237 HB2 HIS 80 HB2 HIS 80 5.040 5.448 -4.250 238 HB3 HIS 80 HB3 HIS 80 6.398 5.560 -3.101 239 HD1 HIS 80 HD1 HIS 80 7.149 8.051 -2.706 240 HD2 HIS 80 HD2 HIS 80 5.324 7.371 -6.432 241 HE1 HIS 80 HE1 HIS 80 6.979 10.315 -3.852 242 H TYR 81 H TYR 81 8.722 4.192 -3.267 243 HA TYR 81 HA TYR 81 10.803 6.093 -3.981 244 HB2 TYR 81 HB2 TYR 81 10.750 3.646 -2.165 245 HB3 TYR 81 HB3 TYR 81 12.112 4.747 -2.308 246 HD1 TYR 81 HD2 TYR 81 9.293 6.891 -2.475 247 HD2 TYR 81 HD1 TYR 81 11.541 4.453 0.286 248 HE1 TYR 81 HE2 TYR 81 8.501 8.282 -0.589 249 HE2 TYR 81 HE1 TYR 81 10.776 5.881 2.159 250 HH TYR 81 HH TYR 81 9.593 7.787 2.774 251 H SER 82 H SER 82 10.150 2.776 -4.938 252 HA SER 82 HA SER 82 12.699 2.127 -6.060 253 HB2 SER 82 HB2 SER 82 11.083 0.421 -5.524 254 HB3 SER 82 HB3 SER 82 9.848 1.202 -6.530 255 HG SER 82 HG SER 82 12.161 -0.175 -7.428 256 H THR 83 H THR 83 10.105 4.078 -7.307 257 HA THR 83 HA THR 83 9.463 4.813 -9.331 258 HB THR 83 HB THR 83 10.950 6.490 -10.269 259 HG1 THR 83 HG1 THR 83 12.896 6.841 -9.594 260 HG21 THR 83 HG21 THR 83 9.578 6.954 -8.260 261 HG22 THR 83 HG22 THR 83 11.061 7.925 -8.352 262 HG23 THR 83 HG23 THR 83 10.990 6.539 -7.249 263 H GLU 84 H GLU 84 11.004 2.096 -9.733 264 HA GLU 84 HA GLU 84 12.033 1.891 -12.244 265 HB2 GLU 84 HB2 GLU 84 10.254 -0.049 -10.720 266 HB3 GLU 84 HB3 GLU 84 11.029 -0.491 -12.238 267 HG2 GLU 84 HG2 GLU 84 12.532 0.419 -9.750 268 HG3 GLU 84 HG3 GLU 84 12.244 -1.264 -10.203 269 H GLU 85 H GLU 85 8.616 0.914 -11.798 270 HA GLU 85 HA GLU 85 7.426 2.651 -13.582 271 HB2 GLU 85 HB2 GLU 85 8.724 1.441 -15.451 272 HB3 GLU 85 HB3 GLU 85 7.803 -0.005 -15.084 273 HG2 GLU 85 HG2 GLU 85 5.715 1.583 -15.376 274 HG3 GLU 85 HG3 GLU 85 6.849 2.697 -16.119 275 H ILE 86 H ILE 86 7.019 -0.986 -13.306 276 HA ILE 86 HA ILE 86 4.163 -0.424 -12.968 277 HB ILE 86 HB ILE 86 4.945 -1.860 -14.776 278 HG12 ILE 86 HG12 ILE 86 3.138 -3.370 -12.854 279 HG13 ILE 86 HG13 ILE 86 2.634 -1.946 -13.779 280 HG21 ILE 86 HG21 ILE 86 6.793 -3.035 -13.552 281 HG22 ILE 86 HG22 ILE 86 5.553 -3.953 -12.660 282 HG23 ILE 86 HG23 ILE 86 5.712 -4.136 -14.415 283 HD11 ILE 86 HD11 ILE 86 1.887 -3.943 -14.916 284 HD12 ILE 86 HD12 ILE 86 3.140 -3.165 -15.896 285 HD13 ILE 86 HD13 ILE 86 3.520 -4.624 -14.943 286 H LYS 87 H LYS 87 2.787 -1.264 -11.522 287 HA LYS 87 HA LYS 87 3.344 -0.732 -8.927 288 HB2 LYS 87 HB2 LYS 87 1.219 -2.531 -10.119 289 HB3 LYS 87 HB3 LYS 87 1.198 -1.997 -8.441 290 HG2 LYS 87 HG2 LYS 87 1.018 0.331 -9.070 291 HG3 LYS 87 HG3 LYS 87 1.268 -0.045 -10.793 292 HD2 LYS 87 HD2 LYS 87 -0.846 -1.226 -10.910 293 HD3 LYS 87 HD3 LYS 87 -1.111 -1.041 -9.173 294 HE2 LYS 87 HE2 LYS 87 -1.110 1.459 -9.494 295 HE3 LYS 87 HE3 LYS 87 -0.940 1.214 -11.236 296 HZ1 LYS 87 HZ1 LYS 87 -3.131 0.204 -11.282 297 HZ2 LYS 87 HZ2 LYS 87 -3.221 1.630 -10.452 298 HZ3 LYS 87 HZ3 LYS 87 -3.249 0.235 -9.639 299 H GLY 88 H GLY 88 5.226 -1.555 -8.131 300 HA2 GLY 88 HA2 GLY 88 6.042 -2.806 -6.322 301 HA3 GLY 88 HA3 GLY 88 4.879 -4.108 -6.684 302 H SER 89 H SER 89 6.761 -3.190 -9.479 303 HA SER 89 HA SER 89 7.593 -5.801 -9.848 304 HB2 SER 89 HB2 SER 89 9.064 -4.950 -11.601 305 HB3 SER 89 HB3 SER 89 7.518 -4.083 -11.585 306 HG SER 89 HG SER 89 9.988 -3.157 -10.500 307 H ASP 90 H ASP 90 9.455 -3.518 -7.889 308 HA ASP 90 HA ASP 90 11.686 -5.525 -7.719 309 HB2 ASP 90 HB2 ASP 90 12.073 -3.060 -8.383 310 HB3 ASP 90 HB3 ASP 90 11.675 -2.654 -6.713 311 H CYS 91 H CYS 91 8.900 -4.948 -6.214 312 HA CYS 91 HA CYS 91 9.790 -5.385 -3.382 313 HB2 CYS 91 HB2 CYS 91 7.612 -3.518 -4.411 314 HB3 CYS 91 HB3 CYS 91 8.063 -3.720 -2.739 315 H VAL 92 H VAL 92 8.486 -7.240 -5.513 316 HA VAL 92 HA VAL 92 5.656 -7.235 -5.286 317 HB VAL 92 HB VAL 92 7.307 -9.698 -5.948 318 HG11 VAL 92 HG11 VAL 92 4.486 -8.871 -6.742 319 HG12 VAL 92 HG12 VAL 92 5.360 -10.272 -7.395 320 HG13 VAL 92 HG13 VAL 92 4.942 -10.228 -5.688 321 HG21 VAL 92 HG21 VAL 92 8.069 -7.821 -7.404 322 HG22 VAL 92 HG22 VAL 92 7.182 -9.042 -8.315 323 HG23 VAL 92 HG23 VAL 92 6.379 -7.523 -7.877 324 H ASP 93 H ASP 93 8.099 -8.900 -3.382 325 HA ASP 93 HA ASP 93 6.861 -10.590 -1.617 326 HB2 ASP 93 HB2 ASP 93 9.168 -10.049 -1.396 327 HB3 ASP 93 HB3 ASP 93 8.847 -8.329 -1.224 328 H GLN 94 H GLN 94 6.876 -7.043 -1.104 329 HA GLN 94 HA GLN 94 5.098 -7.096 1.159 330 HB2 GLN 94 HB2 GLN 94 5.941 -4.850 -0.745 331 HB3 GLN 94 HB3 GLN 94 4.845 -4.632 0.596 332 HG2 GLN 94 HG2 GLN 94 6.773 -3.896 1.488 333 HG3 GLN 94 HG3 GLN 94 6.636 -5.518 2.157 334 HE21 GLN 94 HE21 GLN 94 7.920 -5.304 -1.208 335 HE22 GLN 94 HE22 GLN 94 9.583 -5.472 -0.661 336 H PHE 95 H PHE 95 4.477 -6.650 -2.339 337 HA PHE 95 HA PHE 95 1.675 -5.973 -2.047 338 HB2 PHE 95 HB2 PHE 95 3.356 -6.985 -4.372 339 HB3 PHE 95 HB3 PHE 95 1.626 -6.752 -4.500 340 HD1 PHE 95 HD2 PHE 95 4.828 -4.956 -3.818 341 HD2 PHE 95 HD1 PHE 95 0.643 -4.595 -4.806 342 HE1 PHE 95 HE2 PHE 95 5.123 -2.537 -4.206 343 HE2 PHE 95 HE1 PHE 95 0.955 -2.166 -5.218 344 HZ PHE 95 HZ PHE 95 3.182 -1.129 -4.895 345 H ARG 96 H ARG 96 3.452 -9.030 -2.243 346 HA ARG 96 HA ARG 96 1.062 -10.665 -2.503 347 HB2 ARG 96 HB2 ARG 96 3.298 -11.264 -3.413 348 HB3 ARG 96 HB3 ARG 96 3.900 -11.483 -1.765 349 HG2 ARG 96 HG2 ARG 96 2.352 -13.322 -1.383 350 HG3 ARG 96 HG3 ARG 96 1.502 -12.994 -2.905 351 HD2 ARG 96 HD2 ARG 96 3.495 -13.601 -4.207 352 HD3 ARG 96 HD3 ARG 96 4.431 -13.802 -2.725 353 HE ARG 96 HE ARG 96 3.558 -15.883 -2.423 354 HH11 ARG 96 HH11 ARG 96 1.614 -14.406 -5.024 355 HH12 ARG 96 HH12 ARG 96 0.825 -15.928 -5.352 356 HH21 ARG 96 HH21 ARG 96 2.369 -17.751 -2.917 357 HH22 ARG 96 HH22 ARG 96 1.223 -17.690 -4.240 358 H ALA 97 H ALA 97 3.211 -9.706 0.211 359 HA ALA 97 HA ALA 97 1.849 -11.018 2.332 360 HB1 ALA 97 HB1 ALA 97 2.969 -9.332 3.719 361 HB2 ALA 97 HB2 ALA 97 4.070 -9.972 2.483 362 HB3 ALA 97 HB3 ALA 97 3.340 -8.363 2.282 363 H MET 98 H MET 98 1.239 -7.838 0.782 364 HA MET 98 HA MET 98 -1.118 -7.179 2.304 365 HB2 MET 98 HB2 MET 98 0.175 -5.542 1.071 366 HB3 MET 98 HB3 MET 98 -0.141 -6.336 -0.454 367 HG2 MET 98 HG2 MET 98 -2.334 -5.162 1.295 368 HG3 MET 98 HG3 MET 98 -1.464 -4.229 0.086 369 HE1 MET 98 HE1 MET 98 -2.635 -5.748 -3.302 370 HE2 MET 98 HE2 MET 98 -1.660 -4.495 -2.504 371 HE3 MET 98 HE3 MET 98 -1.169 -6.206 -2.434 372 H GLN 99 H GLN 99 -0.834 -8.753 -0.909 373 HA GLN 99 HA GLN 99 -3.525 -9.267 -1.369 374 HB2 GLN 99 HB2 GLN 99 -1.495 -9.652 -2.914 375 HB3 GLN 99 HB3 GLN 99 -1.272 -11.187 -2.087 376 HG2 GLN 99 HG2 GLN 99 -2.471 -11.810 -3.955 377 HG3 GLN 99 HG3 GLN 99 -3.778 -11.655 -2.784 378 HE21 GLN 99 HE21 GLN 99 -3.663 -11.303 -5.890 379 HE22 GLN 99 HE22 GLN 99 -4.313 -9.673 -6.076 380 H GLU 100 H GLU 100 -1.229 -11.571 0.312 381 HA GLU 100 HA GLU 100 -3.186 -13.536 0.852 382 HB2 GLU 100 HB2 GLU 100 -1.709 -14.466 2.498 383 HB3 GLU 100 HB3 GLU 100 -0.767 -13.958 1.086 384 HG2 GLU 100 HG2 GLU 100 -0.035 -11.962 2.299 385 HG3 GLU 100 HG3 GLU 100 -0.986 -12.395 3.702 386 H CYS 101 H CYS 101 -2.365 -10.599 2.670 387 HA CYS 101 HA CYS 101 -4.046 -11.175 4.936 388 HB2 CYS 101 HB2 CYS 101 -2.130 -9.631 4.958 389 HB3 CYS 101 HB3 CYS 101 -2.974 -8.526 3.881 390 H MET 102 H MET 102 -4.634 -9.093 2.025 391 HA MET 102 HA MET 102 -7.301 -8.402 2.968 392 HB2 MET 102 HB2 MET 102 -5.942 -7.937 0.282 393 HB3 MET 102 HB3 MET 102 -7.553 -7.340 0.718 394 HG2 MET 102 HG2 MET 102 -6.440 -6.282 2.787 395 HG3 MET 102 HG3 MET 102 -4.900 -6.616 1.979 396 HE1 MET 102 HE1 MET 102 -8.049 -3.440 0.867 397 HE2 MET 102 HE2 MET 102 -8.482 -5.155 1.086 398 HE3 MET 102 HE3 MET 102 -7.839 -4.211 2.450 399 H GLN 103 H GLN 103 -6.198 -11.208 1.348 400 HA GLN 103 HA GLN 103 -9.019 -11.915 0.697 401 HB2 GLN 103 HB2 GLN 103 -8.194 -13.718 -0.592 402 HB3 GLN 103 HB3 GLN 103 -7.312 -12.265 -1.033 403 HG2 GLN 103 HG2 GLN 103 -5.609 -13.842 -0.948 404 HG3 GLN 103 HG3 GLN 103 -5.503 -13.114 0.651 405 HE21 GLN 103 HE21 GLN 103 -5.346 -14.534 2.340 406 HE22 GLN 103 HE22 GLN 103 -5.976 -16.188 2.253 407 H LYS 104 H LYS 104 -6.964 -12.233 3.448 408 HA LYS 104 HA LYS 104 -8.513 -14.629 4.352 409 HB2 LYS 104 HB2 LYS 104 -6.276 -12.996 5.614 410 HB3 LYS 104 HB3 LYS 104 -7.345 -13.998 6.585 411 HG2 LYS 104 HG2 LYS 104 -6.699 -15.894 4.803 412 HG3 LYS 104 HG3 LYS 104 -5.298 -14.848 4.555 413 HD2 LYS 104 HD2 LYS 104 -4.637 -16.433 6.194 414 HD3 LYS 104 HD3 LYS 104 -4.932 -14.934 7.088 415 HE2 LYS 104 HE2 LYS 104 -7.276 -15.822 7.610 416 HE3 LYS 104 HE3 LYS 104 -6.825 -17.330 6.815 417 HZ1 LYS 104 HZ1 LYS 104 -5.541 -16.208 9.242 418 HZ2 LYS 104 HZ2 LYS 104 -5.043 -17.589 8.468 419 HZ3 LYS 104 HZ3 LYS 104 -6.530 -17.506 9.178 420 H TYR 105 H TYR 105 -8.409 -11.113 4.798 421 HA TYR 105 HA TYR 105 -10.778 -11.264 6.593 422 HB2 TYR 105 HB2 TYR 105 -8.902 -8.997 5.882 423 HB3 TYR 105 HB3 TYR 105 -10.283 -8.851 6.952 424 HD1 TYR 105 HD1 TYR 105 -10.190 -11.264 8.637 425 HD2 TYR 105 HD2 TYR 105 -6.954 -8.789 7.192 426 HE1 TYR 105 HE1 TYR 105 -8.764 -12.076 10.469 427 HE2 TYR 105 HE2 TYR 105 -5.525 -9.583 9.069 428 HH TYR 105 HH TYR 105 -6.666 -12.123 11.344 429 HA PRO 106 HA PRO 106 -13.010 -10.064 2.844 430 HB2 PRO 106 HB2 PRO 106 -15.515 -10.892 3.507 431 HB3 PRO 106 HB3 PRO 106 -14.197 -12.031 3.107 432 HG2 PRO 106 HG2 PRO 106 -15.173 -11.216 5.855 433 HG3 PRO 106 HG3 PRO 106 -14.808 -12.857 5.247 434 HD2 PRO 106 HD2 PRO 106 -13.022 -11.355 6.720 435 HD3 PRO 106 HD3 PRO 106 -12.513 -12.542 5.485 436 H ASP 107 H ASP 107 -14.571 -9.338 6.028 437 HA ASP 107 HA ASP 107 -14.794 -6.506 5.455 438 HB2 ASP 107 HB2 ASP 107 -16.678 -7.969 4.124 439 HB3 ASP 107 HB3 ASP 107 -17.527 -7.734 5.626 440 H LEU 108 H LEU 108 -13.942 -8.243 7.816 441 HA LEU 108 HA LEU 108 -15.978 -7.897 9.834 442 HB2 LEU 108 HB2 LEU 108 -14.522 -8.839 11.392 443 HB3 LEU 108 HB3 LEU 108 -14.364 -9.729 9.908 444 HG LEU 108 HG LEU 108 -12.267 -9.608 10.992 445 HD11 LEU 108 HD11 LEU 108 -12.191 -9.486 8.535 446 HD12 LEU 108 HD12 LEU 108 -10.807 -8.674 9.301 447 HD13 LEU 108 HD13 LEU 108 -12.120 -7.708 8.627 448 HD21 LEU 108 HD21 LEU 108 -12.634 -7.511 12.322 449 HD22 LEU 108 HD22 LEU 108 -12.194 -6.573 10.872 450 HD23 LEU 108 HD23 LEU 108 -11.026 -7.677 11.603 451 H TYR 109 H TYR 109 -14.092 -5.643 8.470 452 HA TYR 109 HA TYR 109 -14.193 -3.669 10.704 453 HB2 TYR 109 HB2 TYR 109 -13.149 -2.257 8.662 454 HB3 TYR 109 HB3 TYR 109 -12.149 -3.354 9.664 455 HD1 TYR 109 HD1 TYR 109 -13.933 -3.134 6.357 456 HD2 TYR 109 HD2 TYR 109 -11.046 -5.215 8.727 457 HE1 TYR 109 HE1 TYR 109 -13.278 -4.446 4.368 458 HE2 TYR 109 HE2 TYR 109 -10.354 -6.515 6.714 459 HH TYR 109 HH TYR 109 -12.049 -6.200 3.627 Start of MODEL 10 1 H GLY 45 H GLY 45 -0.570 15.590 -5.834 2 HA2 GLY 45 HA2 GLY 45 -2.409 14.389 -6.854 3 HA3 GLY 45 HA3 GLY 45 -1.198 13.357 -7.650 4 H LEU 46 H LEU 46 -1.438 11.395 -6.562 5 HA LEU 46 HA LEU 46 -1.871 11.183 -3.735 6 HB2 LEU 46 HB2 LEU 46 -1.868 8.871 -4.086 7 HB3 LEU 46 HB3 LEU 46 -2.708 9.595 -5.436 8 HG LEU 46 HG LEU 46 0.120 8.411 -5.483 9 HD11 LEU 46 HD11 LEU 46 -0.918 6.647 -6.834 10 HD12 LEU 46 HD12 LEU 46 -2.505 7.433 -6.679 11 HD13 LEU 46 HD13 LEU 46 -1.690 6.756 -5.247 12 HD21 LEU 46 HD21 LEU 46 0.076 10.160 -7.169 13 HD22 LEU 46 HD22 LEU 46 -1.515 9.612 -7.762 14 HD23 LEU 46 HD23 LEU 46 -0.070 8.601 -7.972 15 H ILE 47 H ILE 47 0.459 12.770 -4.055 16 HA ILE 47 HA ILE 47 2.450 11.360 -2.463 17 HB ILE 47 HB ILE 47 3.161 12.428 -5.234 18 HG12 ILE 47 HG12 ILE 47 2.406 10.106 -5.377 19 HG13 ILE 47 HG13 ILE 47 4.105 10.268 -5.750 20 HG21 ILE 47 HG21 ILE 47 4.883 13.214 -3.766 21 HG22 ILE 47 HG22 ILE 47 4.989 11.652 -2.929 22 HG23 ILE 47 HG23 ILE 47 5.536 11.814 -4.612 23 HD11 ILE 47 HD11 ILE 47 4.736 9.382 -3.541 24 HD12 ILE 47 HD12 ILE 47 3.038 9.277 -3.072 25 HD13 ILE 47 HD13 ILE 47 3.651 8.262 -4.386 26 H LEU 48 H LEU 48 3.138 12.811 -0.994 27 HA LEU 48 HA LEU 48 2.411 15.636 -1.254 28 HB2 LEU 48 HB2 LEU 48 3.828 14.089 0.976 29 HB3 LEU 48 HB3 LEU 48 3.310 15.765 1.083 30 HG LEU 48 HG LEU 48 1.543 13.311 0.901 31 HD11 LEU 48 HD11 LEU 48 1.824 15.465 3.038 32 HD12 LEU 48 HD12 LEU 48 2.520 13.834 3.121 33 HD13 LEU 48 HD13 LEU 48 0.760 14.043 3.110 34 HD21 LEU 48 HD21 LEU 48 0.843 16.257 0.666 35 HD22 LEU 48 HD22 LEU 48 -0.345 15.055 1.201 36 HD23 LEU 48 HD23 LEU 48 0.365 14.932 -0.418 37 HA PRO 49 HA PRO 49 6.418 16.937 -2.614 38 HB2 PRO 49 HB2 PRO 49 6.536 19.527 -1.727 39 HB3 PRO 49 HB3 PRO 49 5.427 18.986 -3.022 40 HG2 PRO 49 HG2 PRO 49 4.821 19.305 -0.061 41 HG3 PRO 49 HG3 PRO 49 3.896 19.958 -1.455 42 HD2 PRO 49 HD2 PRO 49 3.166 17.650 -0.250 43 HD3 PRO 49 HD3 PRO 49 3.066 17.821 -2.028 44 H ASN 50 H ASN 50 5.875 16.285 0.702 45 HA ASN 50 HA ASN 50 8.695 16.881 1.424 46 HB2 ASN 50 HB2 ASN 50 8.138 16.640 3.615 47 HB3 ASN 50 HB3 ASN 50 6.620 17.278 3.001 48 HD21 ASN 50 HD21 ASN 50 7.985 14.879 4.937 49 HD22 ASN 50 HD22 ASN 50 6.787 13.623 4.745 50 H GLY 51 H GLY 51 6.828 14.355 0.076 51 HA2 GLY 51 HA2 GLY 51 8.076 12.496 -0.887 52 HA3 GLY 51 HA3 GLY 51 8.887 12.256 0.671 53 H ASN 52 H ASN 52 6.158 12.686 2.071 54 HA ASN 52 HA ASN 52 5.485 9.900 2.159 55 HB2 ASN 52 HB2 ASN 52 4.227 12.354 3.432 56 HB3 ASN 52 HB3 ASN 52 3.665 10.709 3.735 57 HD21 ASN 52 HD21 ASN 52 4.494 9.894 5.681 58 HD22 ASN 52 HD22 ASN 52 6.142 10.173 6.196 59 H ILE 53 H ILE 53 3.326 8.942 1.900 60 HA ILE 53 HA ILE 53 2.300 9.563 -0.810 61 HB ILE 53 HB ILE 53 2.026 7.197 1.080 62 HG12 ILE 53 HG12 ILE 53 3.490 7.639 -1.568 63 HG13 ILE 53 HG13 ILE 53 4.257 7.632 0.013 64 HG21 ILE 53 HG21 ILE 53 0.892 7.472 -1.737 65 HG22 ILE 53 HG22 ILE 53 0.972 5.964 -0.803 66 HG23 ILE 53 HG23 ILE 53 -0.035 7.266 -0.230 67 HD11 ILE 53 HD11 ILE 53 3.638 5.248 0.302 68 HD12 ILE 53 HD12 ILE 53 2.982 5.256 -1.360 69 HD13 ILE 53 HD13 ILE 53 4.689 5.586 -1.097 70 H ASN 54 H ASN 54 1.210 10.189 2.340 71 HA ASN 54 HA ASN 54 -0.502 11.457 3.064 72 HB2 ASN 54 HB2 ASN 54 -0.524 12.573 0.787 73 HB3 ASN 54 HB3 ASN 54 -1.822 11.486 0.323 74 HD21 ASN 54 HD21 ASN 54 -2.552 14.020 0.156 75 HD22 ASN 54 HD22 ASN 54 -3.505 14.518 1.533 76 H TRP 55 H TRP 55 -0.845 9.441 4.258 77 HA TRP 55 HA TRP 55 -3.066 7.727 3.573 78 HB2 TRP 55 HB2 TRP 55 -1.754 8.159 6.273 79 HB3 TRP 55 HB3 TRP 55 -2.702 6.772 5.765 80 HD1 TRP 55 HD1 TRP 55 0.571 7.291 6.633 81 HE1 TRP 55 HE1 TRP 55 2.308 5.925 5.350 82 HE3 TRP 55 HE3 TRP 55 -2.300 5.894 2.613 83 HZ2 TRP 55 HZ2 TRP 55 2.476 4.496 2.838 84 HZ3 TRP 55 HZ3 TRP 55 -1.321 4.524 0.800 85 HH2 TRP 55 HH2 TRP 55 1.058 3.830 0.896 86 H ASN 56 H ASN 56 -3.262 10.941 4.280 87 HA ASN 56 HA ASN 56 -5.771 10.700 5.829 88 HB2 ASN 56 HB2 ASN 56 -3.990 12.426 6.394 89 HB3 ASN 56 HB3 ASN 56 -4.405 13.249 4.885 90 HD21 ASN 56 HD21 ASN 56 -6.152 11.781 7.712 91 HD22 ASN 56 HD22 ASN 56 -7.304 13.090 7.859 92 H CYS 57 H CYS 57 -4.831 10.834 2.470 93 HA CYS 57 HA CYS 57 -7.117 12.014 1.329 94 HB2 CYS 57 HB2 CYS 57 -5.274 9.733 0.496 95 HB3 CYS 57 HB3 CYS 57 -6.661 10.172 -0.515 96 HG CYS 57 HG CYS 57 -6.045 12.756 -0.700 97 HA PRO 58 HA PRO 58 -10.540 9.567 2.534 98 HB2 PRO 58 HB2 PRO 58 -12.216 9.628 0.315 99 HB3 PRO 58 HB3 PRO 58 -11.985 10.955 1.489 100 HG2 PRO 58 HG2 PRO 58 -10.633 10.584 -1.196 101 HG3 PRO 58 HG3 PRO 58 -11.358 12.073 -0.507 102 HD2 PRO 58 HD2 PRO 58 -8.690 11.644 -0.409 103 HD3 PRO 58 HD3 PRO 58 -9.542 12.378 0.985 104 H CYS 59 H CYS 59 -10.048 8.549 -0.949 105 HA CYS 59 HA CYS 59 -10.707 5.829 -0.339 106 HB2 CYS 59 HB2 CYS 59 -9.259 7.023 -2.769 107 HB3 CYS 59 HB3 CYS 59 -9.935 5.399 -2.681 108 HG CYS 59 HG CYS 59 -11.570 6.859 -4.114 109 H LEU 60 H LEU 60 -7.500 7.094 -1.338 110 HA LEU 60 HA LEU 60 -6.099 4.688 -0.931 111 HB2 LEU 60 HB2 LEU 60 -5.351 6.613 -2.296 112 HB3 LEU 60 HB3 LEU 60 -5.150 7.591 -0.845 113 HG LEU 60 HG LEU 60 -3.300 6.147 -0.083 114 HD11 LEU 60 HD11 LEU 60 -3.726 4.643 -2.716 115 HD12 LEU 60 HD12 LEU 60 -3.928 3.991 -1.075 116 HD13 LEU 60 HD13 LEU 60 -2.326 4.456 -1.638 117 HD21 LEU 60 HD21 LEU 60 -3.057 7.150 -2.957 118 HD22 LEU 60 HD22 LEU 60 -1.694 6.790 -1.885 119 HD23 LEU 60 HD23 LEU 60 -2.808 8.104 -1.475 120 H GLY 61 H GLY 61 -6.719 7.320 1.419 121 HA2 GLY 61 HA2 GLY 61 -5.102 6.136 3.538 122 HA3 GLY 61 HA3 GLY 61 -6.278 7.471 3.677 123 H GLY 62 H GLY 62 -8.573 6.038 2.580 124 HA2 GLY 62 HA2 GLY 62 -9.565 4.586 4.839 125 HA3 GLY 62 HA3 GLY 62 -10.238 4.567 3.186 126 H MET 63 H MET 63 -8.431 3.385 1.654 127 HA MET 63 HA MET 63 -8.350 0.615 2.268 128 HB2 MET 63 HB2 MET 63 -6.604 2.278 0.413 129 HB3 MET 63 HB3 MET 63 -6.666 0.507 0.426 130 HG2 MET 63 HG2 MET 63 -9.122 0.635 -0.079 131 HG3 MET 63 HG3 MET 63 -8.995 2.375 -0.174 132 HE1 MET 63 HE1 MET 63 -6.701 -0.623 -1.586 133 HE2 MET 63 HE2 MET 63 -8.434 -0.999 -1.754 134 HE3 MET 63 HE3 MET 63 -7.439 -0.710 -3.198 135 H ALA 64 H ALA 64 -5.847 3.073 3.039 136 HA ALA 64 HA ALA 64 -4.040 1.090 4.177 137 HB1 ALA 64 HB1 ALA 64 -2.754 3.061 4.866 138 HB2 ALA 64 HB2 ALA 64 -3.260 3.228 3.176 139 HB3 ALA 64 HB3 ALA 64 -4.110 4.123 4.456 140 H SER 65 H SER 65 -7.000 2.258 5.398 141 HA SER 65 HA SER 65 -6.082 2.274 8.234 142 HB2 SER 65 HB2 SER 65 -8.694 3.184 6.985 143 HB3 SER 65 HB3 SER 65 -8.238 3.341 8.693 144 HG SER 65 HG SER 65 -6.994 4.535 6.426 145 H GLY 66 H GLY 66 -6.819 -0.222 6.474 146 HA2 GLY 66 HA2 GLY 66 -8.657 -1.575 8.409 147 HA3 GLY 66 HA3 GLY 66 -8.092 -2.234 6.857 148 HA PRO 67 HA PRO 67 -5.475 -3.871 10.488 149 HB2 PRO 67 HB2 PRO 67 -6.002 -6.553 10.127 150 HB3 PRO 67 HB3 PRO 67 -6.953 -5.478 11.191 151 HG2 PRO 67 HG2 PRO 67 -7.584 -6.300 8.341 152 HG3 PRO 67 HG3 PRO 67 -8.681 -6.284 9.758 153 HD2 PRO 67 HD2 PRO 67 -8.623 -4.250 7.950 154 HD3 PRO 67 HD3 PRO 67 -8.860 -3.917 9.695 155 H CYS 68 H CYS 68 -6.021 -5.335 7.212 156 HA CYS 68 HA CYS 68 -3.232 -5.931 6.740 157 HB2 CYS 68 HB2 CYS 68 -5.585 -5.503 4.850 158 HB3 CYS 68 HB3 CYS 68 -3.998 -6.096 4.351 159 H GLY 69 H GLY 69 -4.528 -2.907 7.140 160 HA2 GLY 69 HA2 GLY 69 -3.844 -1.445 4.842 161 HA3 GLY 69 HA3 GLY 69 -3.994 -0.795 6.489 162 H GLU 70 H GLU 70 -1.729 -2.340 7.624 163 HA GLU 70 HA GLU 70 0.394 -0.600 6.853 164 HB2 GLU 70 HB2 GLU 70 -0.092 -1.907 9.074 165 HB3 GLU 70 HB3 GLU 70 0.873 -3.192 8.332 166 HG2 GLU 70 HG2 GLU 70 2.760 -1.604 8.061 167 HG3 GLU 70 HG3 GLU 70 1.763 -0.289 8.691 168 H GLN 71 H GLN 71 -0.528 -3.751 5.601 169 HA GLN 71 HA GLN 71 2.033 -4.226 4.229 170 HB2 GLN 71 HB2 GLN 71 -0.642 -5.493 3.570 171 HB3 GLN 71 HB3 GLN 71 0.962 -6.119 3.256 172 HG2 GLN 71 HG2 GLN 71 -0.419 -5.915 5.972 173 HG3 GLN 71 HG3 GLN 71 -0.152 -7.368 5.020 174 HE21 GLN 71 HE21 GLN 71 0.864 -8.224 7.000 175 HE22 GLN 71 HE22 GLN 71 2.554 -7.874 7.259 176 H PHE 72 H PHE 72 -1.132 -2.753 3.507 177 HA PHE 72 HA PHE 72 -0.540 -2.299 0.715 178 HB2 PHE 72 HB2 PHE 72 -2.836 -2.445 1.726 179 HB3 PHE 72 HB3 PHE 72 -2.542 -0.914 2.546 180 HD1 PHE 72 HD2 PHE 72 -2.059 -2.244 -0.962 181 HD2 PHE 72 HD1 PHE 72 -3.682 0.871 1.534 182 HE1 PHE 72 HE2 PHE 72 -2.966 -1.117 -2.970 183 HE2 PHE 72 HE1 PHE 72 -4.565 2.004 -0.479 184 HZ PHE 72 HZ PHE 72 -4.223 1.023 -2.735 185 H LYS 73 H LYS 73 -0.165 -0.344 3.700 186 HA LYS 73 HA LYS 73 0.991 1.989 2.535 187 HB2 LYS 73 HB2 LYS 73 1.647 0.620 5.170 188 HB3 LYS 73 HB3 LYS 73 2.225 2.211 4.709 189 HG2 LYS 73 HG2 LYS 73 -0.030 3.143 4.807 190 HG3 LYS 73 HG3 LYS 73 -0.718 1.555 5.115 191 HD2 LYS 73 HD2 LYS 73 0.924 1.444 7.142 192 HD3 LYS 73 HD3 LYS 73 1.127 3.174 6.897 193 HE2 LYS 73 HE2 LYS 73 -1.191 3.592 7.390 194 HE3 LYS 73 HE3 LYS 73 -1.606 1.871 7.329 195 HZ1 LYS 73 HZ1 LYS 73 -1.227 2.916 9.618 196 HZ2 LYS 73 HZ2 LYS 73 0.397 2.852 9.269 197 HZ3 LYS 73 HZ3 LYS 73 -0.493 1.490 9.368 198 H SER 74 H SER 74 2.604 -1.026 3.696 199 HA SER 74 HA SER 74 5.243 -0.288 2.907 200 HB2 SER 74 HB2 SER 74 4.545 -2.175 4.458 201 HB3 SER 74 HB3 SER 74 4.150 -3.124 3.012 202 HG SER 74 HG SER 74 6.290 -3.579 3.506 203 H ALA 75 H ALA 75 2.745 -2.147 1.040 204 HA ALA 75 HA ALA 75 4.328 -2.533 -1.277 205 HB1 ALA 75 HB1 ALA 75 2.137 -3.034 -2.340 206 HB2 ALA 75 HB2 ALA 75 2.219 -3.757 -0.728 207 HB3 ALA 75 HB3 ALA 75 1.290 -2.268 -0.977 208 H PHE 76 H PHE 76 1.972 0.136 -0.679 209 HA PHE 76 HA PHE 76 2.608 1.388 -3.188 210 HB2 PHE 76 HB2 PHE 76 0.733 1.820 -1.051 211 HB3 PHE 76 HB3 PHE 76 1.613 3.315 -1.276 212 HD1 PHE 76 HD2 PHE 76 1.956 4.060 -3.830 213 HD2 PHE 76 HD1 PHE 76 -1.169 1.463 -2.386 214 HE1 PHE 76 HE2 PHE 76 0.588 4.582 -5.833 215 HE2 PHE 76 HE1 PHE 76 -2.527 1.996 -4.401 216 HZ PHE 76 HZ PHE 76 -1.637 3.535 -6.135 217 H SER 77 H SER 77 4.014 1.690 0.076 218 HA SER 77 HA SER 77 5.765 3.889 -0.540 219 HB2 SER 77 HB2 SER 77 5.243 3.080 1.778 220 HB3 SER 77 HB3 SER 77 6.288 1.584 1.409 221 HG SER 77 HG SER 77 7.442 3.386 2.450 222 H CYS 78 H CYS 78 6.426 0.345 -0.600 223 HA CYS 78 HA CYS 78 9.015 0.624 -1.698 224 HB2 CYS 78 HB2 CYS 78 7.805 -1.342 -0.514 225 HB3 CYS 78 HB3 CYS 78 7.235 -1.805 -2.130 226 H PHE 79 H PHE 79 5.859 0.511 -3.382 227 HA PHE 79 HA PHE 79 7.024 0.324 -6.023 228 HB2 PHE 79 HB2 PHE 79 4.739 -0.323 -5.689 229 HB3 PHE 79 HB3 PHE 79 4.326 1.243 -5.012 230 HD1 PHE 79 HD2 PHE 79 6.241 0.374 -8.184 231 HD2 PHE 79 HD1 PHE 79 2.747 2.215 -6.430 232 HE1 PHE 79 HE2 PHE 79 5.553 1.205 -10.414 233 HE2 PHE 79 HE1 PHE 79 2.066 3.036 -8.661 234 HZ PHE 79 HZ PHE 79 3.463 2.526 -10.659 235 H HIS 80 H HIS 80 5.699 3.239 -4.258 236 HA HIS 80 HA HIS 80 6.591 5.095 -6.264 237 HB2 HIS 80 HB2 HIS 80 4.957 5.773 -4.581 238 HB3 HIS 80 HB3 HIS 80 6.120 5.473 -3.279 239 HD1 HIS 80 HD1 HIS 80 7.300 7.719 -2.515 240 HD2 HIS 80 HD2 HIS 80 6.209 7.623 -6.577 241 HE1 HIS 80 HE1 HIS 80 8.076 9.916 -3.531 242 H TYR 81 H TYR 81 8.311 3.910 -3.298 243 HA TYR 81 HA TYR 81 10.591 5.612 -3.794 244 HB2 TYR 81 HB2 TYR 81 10.005 3.320 -1.915 245 HB3 TYR 81 HB3 TYR 81 11.626 3.955 -2.077 246 HD1 TYR 81 HD2 TYR 81 8.114 5.254 -1.470 247 HD2 TYR 81 HD1 TYR 81 12.339 5.706 -0.755 248 HE1 TYR 81 HE2 TYR 81 7.642 7.102 0.130 249 HE2 TYR 81 HE1 TYR 81 11.867 7.551 0.825 250 HH TYR 81 HH TYR 81 10.265 8.638 2.010 251 H SER 82 H SER 82 9.619 2.876 -5.502 252 HA SER 82 HA SER 82 12.380 2.133 -6.347 253 HB2 SER 82 HB2 SER 82 9.673 1.323 -7.482 254 HB3 SER 82 HB3 SER 82 11.250 0.738 -8.021 255 HG SER 82 HG SER 82 10.050 0.308 -5.468 256 H THR 83 H THR 83 9.971 4.533 -7.226 257 HA THR 83 HA THR 83 9.523 5.737 -9.110 258 HB THR 83 HB THR 83 11.503 6.920 -10.100 259 HG1 THR 83 HG1 THR 83 12.778 4.871 -9.029 260 HG21 THR 83 HG21 THR 83 10.315 7.751 -8.089 261 HG22 THR 83 HG22 THR 83 12.047 8.132 -8.061 262 HG23 THR 83 HG23 THR 83 11.416 6.807 -7.061 263 H GLU 84 H GLU 84 9.547 2.932 -9.606 264 HA GLU 84 HA GLU 84 10.775 2.474 -12.245 265 HB2 GLU 84 HB2 GLU 84 9.904 0.843 -9.892 266 HB3 GLU 84 HB3 GLU 84 9.723 0.040 -11.418 267 HG2 GLU 84 HG2 GLU 84 12.324 1.281 -10.455 268 HG3 GLU 84 HG3 GLU 84 11.895 -0.428 -10.349 269 H GLU 85 H GLU 85 9.403 0.558 -13.393 270 HA GLU 85 HA GLU 85 7.086 1.979 -14.513 271 HB2 GLU 85 HB2 GLU 85 8.959 1.212 -15.857 272 HB3 GLU 85 HB3 GLU 85 8.647 -0.470 -15.416 273 HG2 GLU 85 HG2 GLU 85 6.643 -0.544 -16.713 274 HG3 GLU 85 HG3 GLU 85 6.531 1.226 -16.789 275 H ILE 86 H ILE 86 7.424 -0.905 -12.417 276 HA ILE 86 HA ILE 86 4.523 -1.410 -12.922 277 HB ILE 86 HB ILE 86 6.460 -3.667 -12.427 278 HG12 ILE 86 HG12 ILE 86 5.700 -4.183 -14.965 279 HG13 ILE 86 HG13 ILE 86 5.649 -2.432 -15.056 280 HG21 ILE 86 HG21 ILE 86 4.572 -5.062 -13.218 281 HG22 ILE 86 HG22 ILE 86 4.170 -4.164 -11.768 282 HG23 ILE 86 HG23 ILE 86 3.565 -3.604 -13.348 283 HD11 ILE 86 HD11 ILE 86 8.082 -2.435 -14.243 284 HD12 ILE 86 HD12 ILE 86 8.026 -4.206 -14.308 285 HD13 ILE 86 HD13 ILE 86 7.822 -3.256 -15.792 286 H LYS 87 H LYS 87 3.249 -1.861 -11.283 287 HA LYS 87 HA LYS 87 3.788 -1.100 -8.598 288 HB2 LYS 87 HB2 LYS 87 1.588 -2.718 -9.924 289 HB3 LYS 87 HB3 LYS 87 1.608 -2.396 -8.189 290 HG2 LYS 87 HG2 LYS 87 1.616 0.005 -8.543 291 HG3 LYS 87 HG3 LYS 87 1.709 -0.202 -10.305 292 HD2 LYS 87 HD2 LYS 87 -0.500 -1.262 -10.326 293 HD3 LYS 87 HD3 LYS 87 -0.599 -1.168 -8.556 294 HE2 LYS 87 HE2 LYS 87 -0.487 1.310 -8.665 295 HE3 LYS 87 HE3 LYS 87 -0.313 1.235 -10.426 296 HZ1 LYS 87 HZ1 LYS 87 -2.688 0.322 -8.913 297 HZ2 LYS 87 HZ2 LYS 87 -2.530 0.254 -10.541 298 HZ3 LYS 87 HZ3 LYS 87 -2.584 1.714 -9.732 299 H GLY 88 H GLY 88 5.591 -2.018 -7.835 300 HA2 GLY 88 HA2 GLY 88 6.369 -3.478 -6.132 301 HA3 GLY 88 HA3 GLY 88 5.318 -4.773 -6.747 302 H SER 89 H SER 89 7.273 -3.236 -9.297 303 HA SER 89 HA SER 89 8.155 -5.798 -9.974 304 HB2 SER 89 HB2 SER 89 9.943 -4.482 -11.396 305 HB3 SER 89 HB3 SER 89 8.234 -4.432 -11.771 306 HG SER 89 HG SER 89 9.747 -2.503 -10.351 307 H ASP 90 H ASP 90 10.042 -3.745 -7.734 308 HA ASP 90 HA ASP 90 11.914 -6.073 -7.529 309 HB2 ASP 90 HB2 ASP 90 12.751 -3.675 -8.425 310 HB3 ASP 90 HB3 ASP 90 12.862 -3.342 -6.711 311 H CYS 91 H CYS 91 9.349 -5.489 -6.341 312 HA CYS 91 HA CYS 91 9.873 -5.524 -3.395 313 HB2 CYS 91 HB2 CYS 91 8.091 -3.667 -5.005 314 HB3 CYS 91 HB3 CYS 91 7.892 -3.864 -3.284 315 H VAL 92 H VAL 92 8.931 -7.616 -5.394 316 HA VAL 92 HA VAL 92 6.097 -7.757 -5.601 317 HB VAL 92 HB VAL 92 8.112 -10.043 -5.745 318 HG11 VAL 92 HG11 VAL 92 6.415 -11.137 -7.236 319 HG12 VAL 92 HG12 VAL 92 5.856 -10.980 -5.575 320 HG13 VAL 92 HG13 VAL 92 5.256 -9.857 -6.816 321 HG21 VAL 92 HG21 VAL 92 8.015 -9.673 -8.209 322 HG22 VAL 92 HG22 VAL 92 6.991 -8.247 -7.950 323 HG23 VAL 92 HG23 VAL 92 8.672 -8.270 -7.367 324 H ASP 93 H ASP 93 8.278 -9.001 -3.149 325 HA ASP 93 HA ASP 93 6.804 -10.651 -1.482 326 HB2 ASP 93 HB2 ASP 93 9.181 -9.837 -1.276 327 HB3 ASP 93 HB3 ASP 93 8.581 -8.307 -0.652 328 H GLN 94 H GLN 94 6.795 -7.051 -1.335 329 HA GLN 94 HA GLN 94 4.794 -6.822 0.677 330 HB2 GLN 94 HB2 GLN 94 5.999 -4.966 -1.400 331 HB3 GLN 94 HB3 GLN 94 4.462 -4.535 -0.690 332 HG2 GLN 94 HG2 GLN 94 6.123 -3.411 0.522 333 HG3 GLN 94 HG3 GLN 94 5.365 -4.618 1.563 334 HE21 GLN 94 HE21 GLN 94 8.146 -4.947 -0.823 335 HE22 GLN 94 HE22 GLN 94 9.219 -5.517 0.455 336 H PHE 95 H PHE 95 4.383 -6.844 -2.925 337 HA PHE 95 HA PHE 95 1.536 -6.297 -2.707 338 HB2 PHE 95 HB2 PHE 95 3.363 -7.165 -4.963 339 HB3 PHE 95 HB3 PHE 95 1.615 -7.097 -5.163 340 HD1 PHE 95 HD2 PHE 95 4.588 -5.001 -4.252 341 HD2 PHE 95 HD1 PHE 95 0.433 -5.038 -5.404 342 HE1 PHE 95 HE2 PHE 95 4.627 -2.531 -4.497 343 HE2 PHE 95 HE1 PHE 95 0.478 -2.575 -5.654 344 HZ PHE 95 HZ PHE 95 2.574 -1.314 -5.211 345 H ARG 96 H ARG 96 3.455 -9.244 -2.767 346 HA ARG 96 HA ARG 96 1.231 -11.081 -2.943 347 HB2 ARG 96 HB2 ARG 96 3.738 -11.453 -3.458 348 HB3 ARG 96 HB3 ARG 96 3.948 -11.706 -1.725 349 HG2 ARG 96 HG2 ARG 96 2.388 -13.629 -1.817 350 HG3 ARG 96 HG3 ARG 96 2.015 -13.263 -3.515 351 HD2 ARG 96 HD2 ARG 96 4.450 -13.607 -4.065 352 HD3 ARG 96 HD3 ARG 96 4.709 -14.163 -2.404 353 HE ARG 96 HE ARG 96 2.622 -15.739 -3.422 354 HH11 ARG 96 HH11 ARG 96 6.056 -15.270 -4.302 355 HH12 ARG 96 HH12 ARG 96 6.118 -16.867 -5.019 356 HH21 ARG 96 HH21 ARG 96 2.873 -17.771 -4.586 357 HH22 ARG 96 HH22 ARG 96 4.464 -18.103 -5.222 358 H ALA 97 H ALA 97 3.123 -9.732 -0.183 359 HA ALA 97 HA ALA 97 1.664 -10.898 1.959 360 HB1 ALA 97 HB1 ALA 97 3.866 -9.795 2.167 361 HB2 ALA 97 HB2 ALA 97 3.126 -8.222 1.812 362 HB3 ALA 97 HB3 ALA 97 2.685 -9.105 3.292 363 H MET 98 H MET 98 1.132 -7.737 0.289 364 HA MET 98 HA MET 98 -1.219 -6.964 1.660 365 HB2 MET 98 HB2 MET 98 0.052 -5.560 0.026 366 HB3 MET 98 HB3 MET 98 -0.546 -6.575 -1.283 367 HG2 MET 98 HG2 MET 98 -2.903 -5.837 0.055 368 HG3 MET 98 HG3 MET 98 -1.886 -4.419 0.235 369 HE1 MET 98 HE1 MET 98 -2.350 -7.092 -2.736 370 HE2 MET 98 HE2 MET 98 -3.956 -6.707 -2.067 371 HE3 MET 98 HE3 MET 98 -3.520 -6.190 -3.712 372 H GLN 99 H GLN 99 -0.963 -9.085 -1.269 373 HA GLN 99 HA GLN 99 -3.793 -9.537 -1.382 374 HB2 GLN 99 HB2 GLN 99 -2.109 -9.914 -3.276 375 HB3 GLN 99 HB3 GLN 99 -1.678 -11.437 -2.469 376 HG2 GLN 99 HG2 GLN 99 -4.196 -12.022 -2.556 377 HG3 GLN 99 HG3 GLN 99 -4.404 -10.609 -3.582 378 HE21 GLN 99 HE21 GLN 99 -3.006 -13.884 -3.355 379 HE22 GLN 99 HE22 GLN 99 -2.757 -14.041 -5.091 380 H GLU 100 H GLU 100 -1.195 -11.614 0.112 381 HA GLU 100 HA GLU 100 -3.045 -13.646 0.844 382 HB2 GLU 100 HB2 GLU 100 -1.412 -14.636 2.173 383 HB3 GLU 100 HB3 GLU 100 -0.658 -14.065 0.704 384 HG2 GLU 100 HG2 GLU 100 0.909 -13.004 1.871 385 HG3 GLU 100 HG3 GLU 100 -0.292 -11.997 2.657 386 H CYS 101 H CYS 101 -2.018 -10.696 2.572 387 HA CYS 101 HA CYS 101 -3.632 -11.203 4.891 388 HB2 CYS 101 HB2 CYS 101 -1.741 -9.569 4.665 389 HB3 CYS 101 HB3 CYS 101 -2.818 -8.515 3.746 390 H MET 102 H MET 102 -4.439 -9.483 1.784 391 HA MET 102 HA MET 102 -7.077 -8.804 2.787 392 HB2 MET 102 HB2 MET 102 -5.927 -8.705 -0.017 393 HB3 MET 102 HB3 MET 102 -7.571 -8.192 0.400 394 HG2 MET 102 HG2 MET 102 -6.593 -6.658 2.158 395 HG3 MET 102 HG3 MET 102 -4.996 -7.058 1.548 396 HE1 MET 102 HE1 MET 102 -8.058 -4.163 -0.139 397 HE2 MET 102 HE2 MET 102 -8.544 -5.833 0.282 398 HE3 MET 102 HE3 MET 102 -7.860 -4.755 1.518 399 H GLN 103 H GLN 103 -5.965 -11.819 1.446 400 HA GLN 103 HA GLN 103 -8.795 -12.723 1.209 401 HB2 GLN 103 HB2 GLN 103 -7.948 -14.907 0.667 402 HB3 GLN 103 HB3 GLN 103 -7.263 -13.678 -0.393 403 HG2 GLN 103 HG2 GLN 103 -5.148 -13.761 0.767 404 HG3 GLN 103 HG3 GLN 103 -5.788 -14.855 2.002 405 HE21 GLN 103 HE21 GLN 103 -6.075 -17.112 1.463 406 HE22 GLN 103 HE22 GLN 103 -5.356 -17.756 -0.020 407 H LYS 104 H LYS 104 -6.321 -12.608 3.729 408 HA LYS 104 HA LYS 104 -7.802 -14.403 5.530 409 HB2 LYS 104 HB2 LYS 104 -5.358 -12.621 5.673 410 HB3 LYS 104 HB3 LYS 104 -6.117 -13.097 7.172 411 HG2 LYS 104 HG2 LYS 104 -5.470 -15.239 5.135 412 HG3 LYS 104 HG3 LYS 104 -4.153 -14.530 6.062 413 HD2 LYS 104 HD2 LYS 104 -6.625 -15.722 7.383 414 HD3 LYS 104 HD3 LYS 104 -5.158 -16.650 7.031 415 HE2 LYS 104 HE2 LYS 104 -3.798 -15.173 8.430 416 HE3 LYS 104 HE3 LYS 104 -5.185 -14.107 8.715 417 HZ1 LYS 104 HZ1 LYS 104 -4.974 -16.912 9.623 418 HZ2 LYS 104 HZ2 LYS 104 -6.291 -15.922 9.827 419 HZ3 LYS 104 HZ3 LYS 104 -4.883 -15.575 10.589 420 H TYR 105 H TYR 105 -7.776 -10.970 4.864 421 HA TYR 105 HA TYR 105 -10.094 -10.572 6.711 422 HB2 TYR 105 HB2 TYR 105 -7.702 -8.749 6.325 423 HB3 TYR 105 HB3 TYR 105 -9.181 -8.265 7.127 424 HD1 TYR 105 HD2 TYR 105 -9.748 -10.705 8.845 425 HD2 TYR 105 HD1 TYR 105 -6.125 -8.493 8.059 426 HE1 TYR 105 HE2 TYR 105 -8.914 -11.254 11.105 427 HE2 TYR 105 HE1 TYR 105 -5.286 -9.064 10.312 428 HH TYR 105 HH TYR 105 -5.769 -10.073 12.339 429 HA PRO 106 HA PRO 106 -11.241 -9.096 2.511 430 HB2 PRO 106 HB2 PRO 106 -13.818 -10.015 2.426 431 HB3 PRO 106 HB3 PRO 106 -12.385 -11.037 2.111 432 HG2 PRO 106 HG2 PRO 106 -13.964 -10.793 4.686 433 HG3 PRO 106 HG3 PRO 106 -13.384 -12.276 3.869 434 HD2 PRO 106 HD2 PRO 106 -12.045 -11.112 5.954 435 HD3 PRO 106 HD3 PRO 106 -11.192 -11.962 4.632 436 H ASP 107 H ASP 107 -13.976 -8.897 4.924 437 HA ASP 107 HA ASP 107 -13.832 -5.944 4.930 438 HB2 ASP 107 HB2 ASP 107 -16.065 -7.571 3.727 439 HB3 ASP 107 HB3 ASP 107 -16.511 -6.221 4.754 440 H LEU 108 H LEU 108 -13.583 -5.608 6.952 441 HA LEU 108 HA LEU 108 -15.425 -5.961 9.039 442 HB2 LEU 108 HB2 LEU 108 -14.398 -7.545 10.503 443 HB3 LEU 108 HB3 LEU 108 -14.816 -8.357 9.027 444 HG LEU 108 HG LEU 108 -11.992 -7.458 9.792 445 HD11 LEU 108 HD11 LEU 108 -11.596 -9.837 10.262 446 HD12 LEU 108 HD12 LEU 108 -13.284 -10.220 9.859 447 HD13 LEU 108 HD13 LEU 108 -12.902 -9.212 11.273 448 HD21 LEU 108 HD21 LEU 108 -12.064 -7.643 7.370 449 HD22 LEU 108 HD22 LEU 108 -12.964 -9.180 7.465 450 HD23 LEU 108 HD23 LEU 108 -11.279 -9.078 8.010 451 H TYR 109 H TYR 109 -13.494 -4.068 7.763 452 HA TYR 109 HA TYR 109 -11.168 -3.705 9.372 453 HB2 TYR 109 HB2 TYR 109 -12.493 -1.873 7.357 454 HB3 TYR 109 HB3 TYR 109 -10.866 -1.691 7.979 455 HD1 TYR 109 HD2 TYR 109 -10.940 -5.149 7.754 456 HD2 TYR 109 HD1 TYR 109 -11.086 -1.699 5.147 457 HE1 TYR 109 HE2 TYR 109 -10.139 -6.522 5.891 458 HE2 TYR 109 HE1 TYR 109 -10.185 -3.101 3.293 459 HH TYR 109 HH TYR 109 -9.618 -6.612 3.695 Start of MODEL 11 1 H GLY 45 H GLY 45 -1.372 14.995 -5.453 2 HA2 GLY 45 HA2 GLY 45 -3.688 14.526 -4.896 3 HA3 GLY 45 HA3 GLY 45 -3.697 13.319 -6.188 4 H LEU 46 H LEU 46 -2.420 11.328 -5.844 5 HA LEU 46 HA LEU 46 -2.195 10.583 -3.059 6 HB2 LEU 46 HB2 LEU 46 -1.597 8.397 -3.905 7 HB3 LEU 46 HB3 LEU 46 -2.966 9.038 -4.776 8 HG LEU 46 HG LEU 46 -0.564 9.777 -6.238 9 HD11 LEU 46 HD11 LEU 46 -0.730 6.797 -5.589 10 HD12 LEU 46 HD12 LEU 46 0.571 7.897 -5.088 11 HD13 LEU 46 HD13 LEU 46 0.328 7.551 -6.804 12 HD21 LEU 46 HD21 LEU 46 -1.620 8.500 -8.036 13 HD22 LEU 46 HD22 LEU 46 -2.847 9.451 -7.181 14 HD23 LEU 46 HD23 LEU 46 -2.711 7.708 -6.875 15 H ILE 47 H ILE 47 -0.335 12.748 -3.623 16 HA ILE 47 HA ILE 47 2.185 11.770 -2.654 17 HB ILE 47 HB ILE 47 2.025 12.759 -5.539 18 HG12 ILE 47 HG12 ILE 47 1.754 10.336 -5.443 19 HG13 ILE 47 HG13 ILE 47 3.264 10.774 -6.186 20 HG21 ILE 47 HG21 ILE 47 3.880 13.954 -4.631 21 HG22 ILE 47 HG22 ILE 47 4.497 12.517 -3.786 22 HG23 ILE 47 HG23 ILE 47 4.548 12.615 -5.554 23 HD11 ILE 47 HD11 ILE 47 3.543 8.840 -4.698 24 HD12 ILE 47 HD12 ILE 47 4.503 10.216 -4.119 25 HD13 ILE 47 HD13 ILE 47 3.006 9.785 -3.304 26 H LEU 48 H LEU 48 3.319 13.342 -1.749 27 HA LEU 48 HA LEU 48 2.634 16.223 -2.048 28 HB2 LEU 48 HB2 LEU 48 3.800 14.700 0.331 29 HB3 LEU 48 HB3 LEU 48 3.488 16.425 0.294 30 HG LEU 48 HG LEU 48 1.370 14.236 0.221 31 HD11 LEU 48 HD11 LEU 48 2.196 16.212 2.398 32 HD12 LEU 48 HD12 LEU 48 2.488 14.460 2.400 33 HD13 LEU 48 HD13 LEU 48 0.831 15.079 2.494 34 HD21 LEU 48 HD21 LEU 48 -0.251 16.099 0.529 35 HD22 LEU 48 HD22 LEU 48 0.572 16.208 -1.026 36 HD23 LEU 48 HD23 LEU 48 1.061 17.277 0.309 37 HA PRO 49 HA PRO 49 6.664 16.651 -3.686 38 HB2 PRO 49 HB2 PRO 49 7.538 19.126 -2.878 39 HB3 PRO 49 HB3 PRO 49 6.190 18.869 -4.025 40 HG2 PRO 49 HG2 PRO 49 6.019 19.348 -1.033 41 HG3 PRO 49 HG3 PRO 49 5.120 20.187 -2.340 42 HD2 PRO 49 HD2 PRO 49 4.006 18.140 -0.974 43 HD3 PRO 49 HD3 PRO 49 3.752 18.288 -2.739 44 H ASN 50 H ASN 50 6.516 16.615 -0.188 45 HA ASN 50 HA ASN 50 9.407 16.314 0.176 46 HB2 ASN 50 HB2 ASN 50 8.849 16.110 2.514 47 HB3 ASN 50 HB3 ASN 50 7.965 17.473 1.836 48 HD21 ASN 50 HD21 ASN 50 7.657 14.666 3.719 49 HD22 ASN 50 HD22 ASN 50 5.910 14.562 3.681 50 H GLY 51 H GLY 51 7.346 14.283 -1.302 51 HA2 GLY 51 HA2 GLY 51 7.759 12.083 -1.948 52 HA3 GLY 51 HA3 GLY 51 8.937 11.897 -0.628 53 H ASN 52 H ASN 52 6.118 13.085 0.792 54 HA ASN 52 HA ASN 52 5.357 10.389 1.690 55 HB2 ASN 52 HB2 ASN 52 4.698 13.179 2.586 56 HB3 ASN 52 HB3 ASN 52 3.574 11.884 2.955 57 HD21 ASN 52 HD21 ASN 52 3.923 10.771 4.833 58 HD22 ASN 52 HD22 ASN 52 5.458 10.694 5.646 59 H ILE 53 H ILE 53 3.571 9.307 1.259 60 HA ILE 53 HA ILE 53 2.031 9.881 -1.160 61 HB ILE 53 HB ILE 53 2.073 7.636 0.886 62 HG12 ILE 53 HG12 ILE 53 2.960 7.538 -2.031 63 HG13 ILE 53 HG13 ILE 53 4.063 8.120 -0.793 64 HG21 ILE 53 HG21 ILE 53 -0.153 7.600 -0.051 65 HG22 ILE 53 HG22 ILE 53 0.478 7.775 -1.704 66 HG23 ILE 53 HG23 ILE 53 0.768 6.295 -0.786 67 HD11 ILE 53 HD11 ILE 53 2.806 5.359 -0.801 68 HD12 ILE 53 HD12 ILE 53 4.471 5.778 -1.237 69 HD13 ILE 53 HD13 ILE 53 3.910 6.002 0.435 70 H ASN 54 H ASN 54 1.374 10.173 2.266 71 HA ASN 54 HA ASN 54 -0.193 11.239 3.443 72 HB2 ASN 54 HB2 ASN 54 -0.158 13.012 1.779 73 HB3 ASN 54 HB3 ASN 54 -1.395 12.194 0.829 74 HD21 ASN 54 HD21 ASN 54 -3.529 12.440 1.367 75 HD22 ASN 54 HD22 ASN 54 -4.062 13.417 2.718 76 H TRP 55 H TRP 55 -1.063 9.583 4.504 77 HA TRP 55 HA TRP 55 -3.070 7.803 3.340 78 HB2 TRP 55 HB2 TRP 55 -2.004 7.896 6.170 79 HB3 TRP 55 HB3 TRP 55 -2.796 6.547 5.373 80 HD1 TRP 55 HD1 TRP 55 0.380 7.380 6.568 81 HE1 TRP 55 HE1 TRP 55 2.285 6.109 5.419 82 HE3 TRP 55 HE3 TRP 55 -2.052 5.919 2.280 83 HZ2 TRP 55 HZ2 TRP 55 2.741 4.736 2.955 84 HZ3 TRP 55 HZ3 TRP 55 -0.840 4.617 0.562 85 HH2 TRP 55 HH2 TRP 55 1.548 4.010 0.883 86 H ASN 56 H ASN 56 -3.948 10.536 3.545 87 HA ASN 56 HA ASN 56 -6.182 10.344 5.544 88 HB2 ASN 56 HB2 ASN 56 -4.365 12.030 5.989 89 HB3 ASN 56 HB3 ASN 56 -4.802 12.841 4.486 90 HD21 ASN 56 HD21 ASN 56 -6.201 11.776 7.645 91 HD22 ASN 56 HD22 ASN 56 -7.276 13.150 7.782 92 H CYS 57 H CYS 57 -5.503 10.724 2.111 93 HA CYS 57 HA CYS 57 -7.921 12.032 1.317 94 HB2 CYS 57 HB2 CYS 57 -6.085 10.087 -0.152 95 HB3 CYS 57 HB3 CYS 57 -7.332 11.051 -0.942 96 HG CYS 57 HG CYS 57 -6.357 13.393 -0.414 97 HA PRO 58 HA PRO 58 -11.006 9.189 2.214 98 HB2 PRO 58 HB2 PRO 58 -12.903 9.456 0.199 99 HB3 PRO 58 HB3 PRO 58 -12.587 10.637 1.498 100 HG2 PRO 58 HG2 PRO 58 -11.471 10.624 -1.320 101 HG3 PRO 58 HG3 PRO 58 -12.214 11.992 -0.428 102 HD2 PRO 58 HD2 PRO 58 -9.538 11.739 -0.557 103 HD3 PRO 58 HD3 PRO 58 -10.315 12.216 0.986 104 H CYS 59 H CYS 59 -9.368 8.341 -0.739 105 HA CYS 59 HA CYS 59 -10.460 5.547 -0.513 106 HB2 CYS 59 HB2 CYS 59 -10.657 6.497 -2.778 107 HB3 CYS 59 HB3 CYS 59 -8.931 6.911 -2.803 108 HG CYS 59 HG CYS 59 -8.980 4.783 -4.259 109 H LEU 60 H LEU 60 -7.388 7.040 -1.376 110 HA LEU 60 HA LEU 60 -5.574 5.094 -0.757 111 HB2 LEU 60 HB2 LEU 60 -5.298 7.236 -2.017 112 HB3 LEU 60 HB3 LEU 60 -5.382 8.115 -0.496 113 HG LEU 60 HG LEU 60 -3.232 7.003 0.223 114 HD11 LEU 60 HD11 LEU 60 -3.157 6.107 -2.705 115 HD12 LEU 60 HD12 LEU 60 -3.345 5.026 -1.313 116 HD13 LEU 60 HD13 LEU 60 -1.845 5.943 -1.518 117 HD21 LEU 60 HD21 LEU 60 -3.360 8.671 -2.317 118 HD22 LEU 60 HD22 LEU 60 -1.884 8.441 -1.357 119 HD23 LEU 60 HD23 LEU 60 -3.282 9.268 -0.653 120 H GLY 61 H GLY 61 -6.977 7.346 1.632 121 HA2 GLY 61 HA2 GLY 61 -5.098 6.565 3.755 122 HA3 GLY 61 HA3 GLY 61 -6.516 7.644 3.890 123 H GLY 62 H GLY 62 -8.392 5.636 2.790 124 HA2 GLY 62 HA2 GLY 62 -8.957 4.098 5.222 125 HA3 GLY 62 HA3 GLY 62 -9.862 4.058 3.686 126 H MET 63 H MET 63 -7.998 3.340 1.864 127 HA MET 63 HA MET 63 -7.643 0.544 2.194 128 HB2 MET 63 HB2 MET 63 -7.630 2.252 0.082 129 HB3 MET 63 HB3 MET 63 -5.900 2.082 0.286 130 HG2 MET 63 HG2 MET 63 -6.626 0.431 -1.301 131 HG3 MET 63 HG3 MET 63 -6.193 -0.422 0.178 132 HE1 MET 63 HE1 MET 63 -9.543 1.585 -0.777 133 HE2 MET 63 HE2 MET 63 -9.000 0.754 -2.255 134 HE3 MET 63 HE3 MET 63 -10.496 0.250 -1.436 135 H ALA 64 H ALA 64 -5.433 3.147 3.056 136 HA ALA 64 HA ALA 64 -3.189 1.374 3.666 137 HB1 ALA 64 HB1 ALA 64 -2.202 3.502 4.504 138 HB2 ALA 64 HB2 ALA 64 -2.902 3.707 2.889 139 HB3 ALA 64 HB3 ALA 64 -3.774 4.303 4.321 140 H SER 65 H SER 65 -6.090 1.521 5.240 141 HA SER 65 HA SER 65 -4.844 1.362 7.968 142 HB2 SER 65 HB2 SER 65 -7.490 2.621 7.168 143 HB3 SER 65 HB3 SER 65 -6.907 2.401 8.824 144 HG SER 65 HG SER 65 -6.056 4.184 6.849 145 H GLY 66 H GLY 66 -6.442 0.284 9.593 146 HA2 GLY 66 HA2 GLY 66 -7.727 -1.594 10.192 147 HA3 GLY 66 HA3 GLY 66 -8.005 -1.943 8.475 148 HA PRO 67 HA PRO 67 -5.049 -4.916 10.513 149 HB2 PRO 67 HB2 PRO 67 -6.225 -7.305 9.899 150 HB3 PRO 67 HB3 PRO 67 -6.791 -6.243 11.224 151 HG2 PRO 67 HG2 PRO 67 -7.866 -6.410 8.390 152 HG3 PRO 67 HG3 PRO 67 -8.790 -6.475 9.929 153 HD2 PRO 67 HD2 PRO 67 -8.503 -4.156 8.517 154 HD3 PRO 67 HD3 PRO 67 -8.495 -4.153 10.306 155 H CYS 68 H CYS 68 -6.099 -4.835 7.095 156 HA CYS 68 HA CYS 68 -3.520 -6.162 6.340 157 HB2 CYS 68 HB2 CYS 68 -5.872 -5.272 4.627 158 HB3 CYS 68 HB3 CYS 68 -4.394 -6.028 4.032 159 H GLY 69 H GLY 69 -4.547 -3.054 7.071 160 HA2 GLY 69 HA2 GLY 69 -3.829 -1.482 4.895 161 HA3 GLY 69 HA3 GLY 69 -3.891 -0.927 6.574 162 H GLU 70 H GLU 70 -1.544 -2.725 7.336 163 HA GLU 70 HA GLU 70 0.556 -0.882 6.600 164 HB2 GLU 70 HB2 GLU 70 2.038 -2.269 7.884 165 HB3 GLU 70 HB3 GLU 70 0.535 -1.981 8.761 166 HG2 GLU 70 HG2 GLU 70 -0.254 -4.273 8.126 167 HG3 GLU 70 HG3 GLU 70 1.284 -4.540 7.283 168 H GLN 71 H GLN 71 -0.526 -3.935 5.158 169 HA GLN 71 HA GLN 71 1.921 -4.342 3.617 170 HB2 GLN 71 HB2 GLN 71 -0.811 -5.387 2.827 171 HB3 GLN 71 HB3 GLN 71 0.782 -6.071 2.486 172 HG2 GLN 71 HG2 GLN 71 -0.813 -6.153 5.065 173 HG3 GLN 71 HG3 GLN 71 -0.281 -7.492 4.082 174 HE21 GLN 71 HE21 GLN 71 0.179 -7.602 6.825 175 HE22 GLN 71 HE22 GLN 71 1.883 -7.313 7.132 176 H PHE 72 H PHE 72 -1.209 -2.755 3.059 177 HA PHE 72 HA PHE 72 -0.679 -1.810 0.393 178 HB2 PHE 72 HB2 PHE 72 -2.920 -1.911 1.465 179 HB3 PHE 72 HB3 PHE 72 -2.449 -0.653 2.585 180 HD1 PHE 72 HD2 PHE 72 -2.015 1.689 1.747 181 HD2 PHE 72 HD1 PHE 72 -3.558 -1.407 -0.819 182 HE1 PHE 72 HE2 PHE 72 -2.826 3.404 0.173 183 HE2 PHE 72 HE1 PHE 72 -4.321 0.317 -2.429 184 HZ PHE 72 HZ PHE 72 -3.961 2.730 -1.945 185 H LYS 73 H LYS 73 -0.101 -0.250 3.649 186 HA LYS 73 HA LYS 73 1.135 2.087 2.615 187 HB2 LYS 73 HB2 LYS 73 1.646 0.572 5.208 188 HB3 LYS 73 HB3 LYS 73 2.478 2.058 4.769 189 HG2 LYS 73 HG2 LYS 73 0.165 3.142 4.505 190 HG3 LYS 73 HG3 LYS 73 -0.486 1.719 5.339 191 HD2 LYS 73 HD2 LYS 73 1.125 2.165 7.237 192 HD3 LYS 73 HD3 LYS 73 1.699 3.575 6.360 193 HE2 LYS 73 HE2 LYS 73 0.237 4.506 7.898 194 HE3 LYS 73 HE3 LYS 73 -0.693 4.475 6.401 195 HZ1 LYS 73 HZ1 LYS 73 -0.890 2.438 8.568 196 HZ2 LYS 73 HZ2 LYS 73 -1.820 2.491 7.202 197 HZ3 LYS 73 HZ3 LYS 73 -1.954 3.664 8.318 198 H SER 74 H SER 74 2.846 -0.957 3.587 199 HA SER 74 HA SER 74 5.409 0.056 2.773 200 HB2 SER 74 HB2 SER 74 5.015 -1.671 4.489 201 HB3 SER 74 HB3 SER 74 4.573 -2.826 3.217 202 HG SER 74 HG SER 74 6.890 -2.725 3.988 203 H ALA 75 H ALA 75 3.056 -1.984 0.965 204 HA ALA 75 HA ALA 75 4.681 -2.514 -1.324 205 HB1 ALA 75 HB1 ALA 75 1.663 -2.113 -1.002 206 HB2 ALA 75 HB2 ALA 75 2.439 -2.834 -2.419 207 HB3 ALA 75 HB3 ALA 75 2.540 -3.651 -0.856 208 H PHE 76 H PHE 76 2.433 0.238 -0.691 209 HA PHE 76 HA PHE 76 3.061 1.561 -3.192 210 HB2 PHE 76 HB2 PHE 76 1.528 2.269 -0.691 211 HB3 PHE 76 HB3 PHE 76 1.998 3.537 -1.805 212 HD1 PHE 76 HD1 PHE 76 0.307 0.157 -1.930 213 HD2 PHE 76 HD2 PHE 76 0.553 4.172 -3.488 214 HE1 PHE 76 HE1 PHE 76 -1.670 -0.274 -3.363 215 HE2 PHE 76 HE2 PHE 76 -1.423 3.744 -4.912 216 HZ PHE 76 HZ PHE 76 -2.545 1.517 -4.851 217 H SER 77 H SER 77 4.180 2.012 0.180 218 HA SER 77 HA SER 77 5.881 4.250 -0.146 219 HB2 SER 77 HB2 SER 77 5.301 3.301 2.028 220 HB3 SER 77 HB3 SER 77 6.156 1.795 1.629 221 HG SER 77 HG SER 77 7.569 2.950 2.790 222 H CYS 78 H CYS 78 6.975 0.803 -0.205 223 HA CYS 78 HA CYS 78 9.619 1.303 -1.007 224 HB2 CYS 78 HB2 CYS 78 8.761 -0.782 -0.080 225 HB3 CYS 78 HB3 CYS 78 7.744 -1.052 -1.485 226 H PHE 79 H PHE 79 6.775 0.719 -3.073 227 HA PHE 79 HA PHE 79 8.186 0.782 -5.566 228 HB2 PHE 79 HB2 PHE 79 6.025 -0.313 -5.272 229 HB3 PHE 79 HB3 PHE 79 5.273 1.212 -4.820 230 HD1 PHE 79 HD2 PHE 79 7.373 -0.102 -7.686 231 HD2 PHE 79 HD1 PHE 79 3.950 2.220 -6.457 232 HE1 PHE 79 HE2 PHE 79 6.839 0.388 -10.065 233 HE2 PHE 79 HE1 PHE 79 3.447 2.727 -8.835 234 HZ PHE 79 HZ PHE 79 4.890 1.807 -10.634 235 H HIS 80 H HIS 80 6.654 3.411 -3.630 236 HA HIS 80 HA HIS 80 7.164 5.364 -5.763 237 HB2 HIS 80 HB2 HIS 80 5.306 5.659 -4.125 238 HB3 HIS 80 HB3 HIS 80 6.503 5.855 -2.835 239 HD1 HIS 80 HD1 HIS 80 5.887 7.497 -6.325 240 HD2 HIS 80 HD2 HIS 80 7.329 8.332 -2.467 241 HE1 HIS 80 HE1 HIS 80 6.645 9.932 -6.341 242 H TYR 81 H TYR 81 8.863 4.351 -2.759 243 HA TYR 81 HA TYR 81 11.031 6.255 -3.185 244 HB2 TYR 81 HB2 TYR 81 10.516 3.998 -1.239 245 HB3 TYR 81 HB3 TYR 81 12.076 4.786 -1.332 246 HD1 TYR 81 HD2 TYR 81 8.430 5.869 -1.123 247 HD2 TYR 81 HD1 TYR 81 12.492 6.507 0.179 248 HE1 TYR 81 HE2 TYR 81 7.666 7.732 0.300 249 HE2 TYR 81 HE1 TYR 81 11.713 8.374 1.643 250 HH TYR 81 HH TYR 81 8.292 9.433 1.688 251 H SER 82 H SER 82 10.205 3.777 -5.027 252 HA SER 82 HA SER 82 12.990 3.135 -5.928 253 HB2 SER 82 HB2 SER 82 11.918 1.093 -5.905 254 HB3 SER 82 HB3 SER 82 10.329 1.795 -6.202 255 HG SER 82 HG SER 82 12.367 1.285 -8.137 256 H THR 83 H THR 83 9.896 3.826 -7.631 257 HA THR 83 HA THR 83 9.367 4.975 -9.478 258 HB THR 83 HB THR 83 10.354 6.972 -10.232 259 HG1 THR 83 HG1 THR 83 12.493 6.268 -8.542 260 HG21 THR 83 HG21 THR 83 9.102 7.019 -8.022 261 HG22 THR 83 HG22 THR 83 10.254 8.341 -8.274 262 HG23 THR 83 HG23 THR 83 10.682 7.000 -7.210 263 H GLU 84 H GLU 84 10.366 2.504 -9.841 264 HA GLU 84 HA GLU 84 11.787 2.668 -12.429 265 HB2 GLU 84 HB2 GLU 84 11.126 0.392 -10.634 266 HB3 GLU 84 HB3 GLU 84 11.462 0.121 -12.308 267 HG2 GLU 84 HG2 GLU 84 13.511 -0.231 -11.229 268 HG3 GLU 84 HG3 GLU 84 13.639 1.347 -12.136 269 H GLU 85 H GLU 85 9.444 0.188 -12.474 270 HA GLU 85 HA GLU 85 7.602 1.897 -14.134 271 HB2 GLU 85 HB2 GLU 85 8.861 -0.770 -14.883 272 HB3 GLU 85 HB3 GLU 85 7.432 -0.096 -15.674 273 HG2 GLU 85 HG2 GLU 85 8.735 1.907 -16.360 274 HG3 GLU 85 HG3 GLU 85 10.190 1.165 -15.657 275 H ILE 86 H ILE 86 7.619 -1.647 -13.367 276 HA ILE 86 HA ILE 86 4.732 -1.466 -13.163 277 HB ILE 86 HB ILE 86 6.330 -3.996 -12.646 278 HG12 ILE 86 HG12 ILE 86 5.654 -4.319 -15.254 279 HG13 ILE 86 HG13 ILE 86 5.923 -2.580 -15.275 280 HG21 ILE 86 HG21 ILE 86 3.551 -3.488 -13.775 281 HG22 ILE 86 HG22 ILE 86 4.314 -5.079 -13.583 282 HG23 ILE 86 HG23 ILE 86 3.932 -4.125 -12.160 283 HD11 ILE 86 HD11 ILE 86 7.958 -3.803 -15.881 284 HD12 ILE 86 HD12 ILE 86 8.246 -3.030 -14.316 285 HD13 ILE 86 HD13 ILE 86 7.884 -4.764 -14.396 286 H LYS 87 H LYS 87 3.370 -1.727 -11.463 287 HA LYS 87 HA LYS 87 4.136 -0.994 -8.863 288 HB2 LYS 87 HB2 LYS 87 1.683 -2.493 -9.856 289 HB3 LYS 87 HB3 LYS 87 1.865 -1.863 -8.217 290 HG2 LYS 87 HG2 LYS 87 2.092 0.430 -9.068 291 HG3 LYS 87 HG3 LYS 87 1.953 -0.150 -10.740 292 HD2 LYS 87 HD2 LYS 87 -0.315 -1.000 -10.267 293 HD3 LYS 87 HD3 LYS 87 -0.197 -0.438 -8.586 294 HE2 LYS 87 HE2 LYS 87 0.046 1.895 -9.346 295 HE3 LYS 87 HE3 LYS 87 0.066 1.366 -11.034 296 HZ1 LYS 87 HZ1 LYS 87 -2.262 1.070 -9.227 297 HZ2 LYS 87 HZ2 LYS 87 -2.186 0.581 -10.788 298 HZ3 LYS 87 HZ3 LYS 87 -2.104 2.185 -10.433 299 H GLY 88 H GLY 88 5.730 -2.049 -7.915 300 HA2 GLY 88 HA2 GLY 88 6.277 -3.655 -6.192 301 HA3 GLY 88 HA3 GLY 88 5.326 -4.884 -7.040 302 H SER 89 H SER 89 7.308 -3.189 -9.356 303 HA SER 89 HA SER 89 8.617 -5.579 -9.970 304 HB2 SER 89 HB2 SER 89 9.857 -4.358 -11.608 305 HB3 SER 89 HB3 SER 89 8.246 -3.647 -11.505 306 HG SER 89 HG SER 89 10.661 -2.641 -10.386 307 H ASP 90 H ASP 90 9.775 -3.290 -7.590 308 HA ASP 90 HA ASP 90 12.079 -5.150 -7.093 309 HB2 ASP 90 HB2 ASP 90 12.631 -2.840 -8.116 310 HB3 ASP 90 HB3 ASP 90 12.164 -2.158 -6.564 311 H CYS 91 H CYS 91 9.274 -4.934 -6.087 312 HA CYS 91 HA CYS 91 9.721 -4.826 -3.124 313 HB2 CYS 91 HB2 CYS 91 7.654 -3.198 -4.636 314 HB3 CYS 91 HB3 CYS 91 7.796 -3.276 -2.889 315 H VAL 92 H VAL 92 8.393 -6.637 -5.534 316 HA VAL 92 HA VAL 92 5.798 -7.021 -5.153 317 HB VAL 92 HB VAL 92 7.224 -7.951 -6.927 318 HG11 VAL 92 HG11 VAL 92 8.206 -10.164 -6.776 319 HG12 VAL 92 HG12 VAL 92 8.924 -9.091 -5.568 320 HG13 VAL 92 HG13 VAL 92 7.723 -10.310 -5.075 321 HG21 VAL 92 HG21 VAL 92 4.820 -8.568 -6.738 322 HG22 VAL 92 HG22 VAL 92 5.827 -9.757 -7.575 323 HG23 VAL 92 HG23 VAL 92 5.306 -10.071 -5.917 324 H ASP 93 H ASP 93 7.949 -8.335 -2.685 325 HA ASP 93 HA ASP 93 6.351 -10.533 -1.815 326 HB2 ASP 93 HB2 ASP 93 8.768 -9.898 -1.195 327 HB3 ASP 93 HB3 ASP 93 8.078 -8.819 0.006 328 H GLN 94 H GLN 94 6.435 -7.163 -0.605 329 HA GLN 94 HA GLN 94 4.269 -7.206 1.191 330 HB2 GLN 94 HB2 GLN 94 5.141 -4.949 -0.679 331 HB3 GLN 94 HB3 GLN 94 4.049 -4.786 0.682 332 HG2 GLN 94 HG2 GLN 94 5.948 -4.008 1.595 333 HG3 GLN 94 HG3 GLN 94 6.012 -5.679 2.147 334 HE21 GLN 94 HE21 GLN 94 7.588 -3.186 0.180 335 HE22 GLN 94 HE22 GLN 94 8.942 -4.223 -0.278 336 H PHE 95 H PHE 95 4.133 -7.024 -2.349 337 HA PHE 95 HA PHE 95 1.318 -6.233 -2.473 338 HB2 PHE 95 HB2 PHE 95 3.297 -7.269 -4.551 339 HB3 PHE 95 HB3 PHE 95 1.625 -6.905 -4.911 340 HD1 PHE 95 HD2 PHE 95 4.767 -5.317 -3.584 341 HD2 PHE 95 HD1 PHE 95 0.947 -4.728 -5.492 342 HE1 PHE 95 HE2 PHE 95 5.323 -2.931 -3.967 343 HE2 PHE 95 HE1 PHE 95 1.511 -2.345 -5.879 344 HZ PHE 95 HZ PHE 95 3.702 -1.439 -5.121 345 H ARG 96 H ARG 96 3.153 -9.277 -2.847 346 HA ARG 96 HA ARG 96 0.915 -11.027 -3.206 347 HB2 ARG 96 HB2 ARG 96 3.388 -11.535 -3.559 348 HB3 ARG 96 HB3 ARG 96 3.541 -11.687 -1.805 349 HG2 ARG 96 HG2 ARG 96 1.814 -13.514 -1.844 350 HG3 ARG 96 HG3 ARG 96 1.707 -13.332 -3.609 351 HD2 ARG 96 HD2 ARG 96 4.204 -13.826 -3.719 352 HD3 ARG 96 HD3 ARG 96 4.149 -14.179 -1.997 353 HE ARG 96 HE ARG 96 3.060 -16.193 -2.402 354 HH11 ARG 96 HH11 ARG 96 3.069 -14.436 -5.501 355 HH12 ARG 96 HH12 ARG 96 2.901 -15.885 -6.417 356 HH21 ARG 96 HH21 ARG 96 2.728 -18.021 -3.666 357 HH22 ARG 96 HH22 ARG 96 2.822 -17.889 -5.403 358 H ALA 97 H ALA 97 2.631 -9.906 -0.233 359 HA ALA 97 HA ALA 97 0.950 -11.160 1.660 360 HB1 ALA 97 HB1 ALA 97 3.160 -10.145 2.155 361 HB2 ALA 97 HB2 ALA 97 2.465 -8.529 1.916 362 HB3 ALA 97 HB3 ALA 97 1.896 -9.555 3.240 363 H MET 98 H MET 98 0.590 -7.866 0.204 364 HA MET 98 HA MET 98 -1.765 -7.086 1.519 365 HB2 MET 98 HB2 MET 98 -0.329 -5.736 -0.120 366 HB3 MET 98 HB3 MET 98 -1.201 -6.562 -1.420 367 HG2 MET 98 HG2 MET 98 -3.354 -5.695 -0.120 368 HG3 MET 98 HG3 MET 98 -2.216 -4.576 0.617 369 HE1 MET 98 HE1 MET 98 -0.352 -4.499 -2.483 370 HE2 MET 98 HE2 MET 98 -0.843 -2.807 -2.719 371 HE3 MET 98 HE3 MET 98 -0.375 -3.377 -1.103 372 H GLN 99 H GLN 99 -1.558 -9.154 -1.437 373 HA GLN 99 HA GLN 99 -4.491 -9.435 -1.470 374 HB2 GLN 99 HB2 GLN 99 -2.308 -10.817 -3.091 375 HB3 GLN 99 HB3 GLN 99 -4.054 -11.077 -3.290 376 HG2 GLN 99 HG2 GLN 99 -4.292 -8.557 -3.644 377 HG3 GLN 99 HG3 GLN 99 -2.533 -8.474 -3.736 378 HE21 GLN 99 HE21 GLN 99 -5.473 -9.225 -5.510 379 HE22 GLN 99 HE22 GLN 99 -4.622 -9.752 -6.961 380 H GLU 100 H GLU 100 -1.800 -11.557 -0.245 381 HA GLU 100 HA GLU 100 -3.570 -13.741 0.266 382 HB2 GLU 100 HB2 GLU 100 -1.826 -14.820 1.199 383 HB3 GLU 100 HB3 GLU 100 -0.962 -13.627 0.239 384 HG2 GLU 100 HG2 GLU 100 -0.846 -12.230 2.415 385 HG3 GLU 100 HG3 GLU 100 -1.427 -13.665 3.252 386 H CYS 101 H CYS 101 -2.826 -10.839 2.115 387 HA CYS 101 HA CYS 101 -4.343 -11.534 4.476 388 HB2 CYS 101 HB2 CYS 101 -2.550 -9.805 4.310 389 HB3 CYS 101 HB3 CYS 101 -3.609 -8.800 3.334 390 H MET 102 H MET 102 -5.216 -9.603 1.534 391 HA MET 102 HA MET 102 -7.859 -9.047 2.545 392 HB2 MET 102 HB2 MET 102 -6.514 -8.626 -0.140 393 HB3 MET 102 HB3 MET 102 -8.233 -8.294 0.098 394 HG2 MET 102 HG2 MET 102 -7.702 -6.871 2.057 395 HG3 MET 102 HG3 MET 102 -5.978 -7.067 1.714 396 HE1 MET 102 HE1 MET 102 -8.428 -4.562 1.810 397 HE2 MET 102 HE2 MET 102 -6.698 -4.228 2.077 398 HE3 MET 102 HE3 MET 102 -7.588 -3.373 0.802 399 H GLN 103 H GLN 103 -6.779 -11.970 1.153 400 HA GLN 103 HA GLN 103 -9.587 -12.837 0.613 401 HB2 GLN 103 HB2 GLN 103 -8.632 -14.892 -0.207 402 HB3 GLN 103 HB3 GLN 103 -7.846 -13.521 -0.996 403 HG2 GLN 103 HG2 GLN 103 -5.863 -13.783 0.384 404 HG3 GLN 103 HG3 GLN 103 -6.651 -14.979 1.405 405 HE21 GLN 103 HE21 GLN 103 -4.754 -16.263 0.958 406 HE22 GLN 103 HE22 GLN 103 -4.796 -17.308 -0.456 407 H LYS 104 H LYS 104 -7.448 -12.780 3.353 408 HA LYS 104 HA LYS 104 -9.080 -14.924 4.682 409 HB2 LYS 104 HB2 LYS 104 -6.422 -13.691 5.539 410 HB3 LYS 104 HB3 LYS 104 -7.354 -14.916 6.417 411 HG2 LYS 104 HG2 LYS 104 -7.164 -16.279 4.158 412 HG3 LYS 104 HG3 LYS 104 -5.801 -15.215 3.843 413 HD2 LYS 104 HD2 LYS 104 -6.193 -17.129 6.171 414 HD3 LYS 104 HD3 LYS 104 -5.040 -17.289 4.846 415 HE2 LYS 104 HE2 LYS 104 -3.828 -15.258 5.671 416 HE3 LYS 104 HE3 LYS 104 -4.987 -15.131 7.012 417 HZ1 LYS 104 HZ1 LYS 104 -3.198 -17.432 6.497 418 HZ2 LYS 104 HZ2 LYS 104 -4.277 -17.379 7.703 419 HZ3 LYS 104 HZ3 LYS 104 -2.964 -16.348 7.694 420 H TYR 105 H TYR 105 -8.251 -11.497 4.857 421 HA TYR 105 HA TYR 105 -10.269 -11.119 7.056 422 HB2 TYR 105 HB2 TYR 105 -7.878 -9.440 6.244 423 HB3 TYR 105 HB3 TYR 105 -9.084 -8.962 7.426 424 HD1 TYR 105 HD2 TYR 105 -9.179 -11.917 8.751 425 HD2 TYR 105 HD1 TYR 105 -6.143 -8.984 7.826 426 HE1 TYR 105 HE2 TYR 105 -7.827 -12.700 10.661 427 HE2 TYR 105 HE1 TYR 105 -4.787 -9.782 9.747 428 HH TYR 105 HH TYR 105 -5.945 -12.390 11.916 429 HA PRO 106 HA PRO 106 -12.098 -9.275 3.276 430 HB2 PRO 106 HB2 PRO 106 -14.733 -9.912 3.689 431 HB3 PRO 106 HB3 PRO 106 -13.516 -11.040 3.027 432 HG2 PRO 106 HG2 PRO 106 -14.473 -10.829 5.898 433 HG3 PRO 106 HG3 PRO 106 -14.280 -12.300 4.894 434 HD2 PRO 106 HD2 PRO 106 -12.371 -11.514 6.665 435 HD3 PRO 106 HD3 PRO 106 -11.940 -12.253 5.097 436 H ASP 107 H ASP 107 -14.523 -8.923 5.922 437 HA ASP 107 HA ASP 107 -14.393 -5.969 5.480 438 HB2 ASP 107 HB2 ASP 107 -16.193 -7.522 4.483 439 HB3 ASP 107 HB3 ASP 107 -16.788 -7.719 6.125 440 H LEU 108 H LEU 108 -13.678 -8.055 7.954 441 HA LEU 108 HA LEU 108 -15.323 -7.089 10.073 442 HB2 LEU 108 HB2 LEU 108 -14.089 -8.503 11.531 443 HB3 LEU 108 HB3 LEU 108 -14.475 -9.325 10.045 444 HG LEU 108 HG LEU 108 -12.366 -10.031 10.869 445 HD11 LEU 108 HD11 LEU 108 -12.631 -9.894 8.396 446 HD12 LEU 108 HD12 LEU 108 -10.951 -9.841 8.960 447 HD13 LEU 108 HD13 LEU 108 -11.740 -8.351 8.420 448 HD21 LEU 108 HD21 LEU 108 -11.699 -8.013 12.143 449 HD22 LEU 108 HD22 LEU 108 -11.239 -7.223 10.620 450 HD23 LEU 108 HD23 LEU 108 -10.393 -8.684 11.150 451 H TYR 109 H TYR 109 -13.051 -5.288 8.691 452 HA TYR 109 HA TYR 109 -11.359 -4.290 10.684 453 HB2 TYR 109 HB2 TYR 109 -12.380 -2.620 8.371 454 HB3 TYR 109 HB3 TYR 109 -10.824 -2.525 9.163 455 HD1 TYR 109 HD2 TYR 109 -10.959 -5.970 8.675 456 HD2 TYR 109 HD1 TYR 109 -10.772 -2.286 6.425 457 HE1 TYR 109 HE2 TYR 109 -10.133 -7.199 6.710 458 HE2 TYR 109 HE1 TYR 109 -9.846 -3.540 4.480 459 HH TYR 109 HH TYR 109 -9.621 -7.103 4.526 Start of MODEL 12 1 H GLY 45 H GLY 45 0.723 13.548 -8.683 2 HA2 GLY 45 HA2 GLY 45 -1.411 14.619 -6.956 3 HA3 GLY 45 HA3 GLY 45 -1.670 13.361 -8.192 4 H LEU 46 H LEU 46 -2.170 12.997 -5.408 5 HA LEU 46 HA LEU 46 -2.004 11.567 -3.738 6 HB2 LEU 46 HB2 LEU 46 -1.827 9.376 -4.232 7 HB3 LEU 46 HB3 LEU 46 -2.266 10.082 -5.760 8 HG LEU 46 HG LEU 46 0.646 9.891 -5.643 9 HD11 LEU 46 HD11 LEU 46 -0.774 7.280 -4.999 10 HD12 LEU 46 HD12 LEU 46 0.303 8.183 -3.913 11 HD13 LEU 46 HD13 LEU 46 0.945 7.482 -5.405 12 HD21 LEU 46 HD21 LEU 46 0.348 8.470 -7.616 13 HD22 LEU 46 HD22 LEU 46 -0.727 9.875 -7.715 14 HD23 LEU 46 HD23 LEU 46 -1.384 8.289 -7.257 15 H ILE 47 H ILE 47 1.116 12.595 -4.783 16 HA ILE 47 HA ILE 47 2.456 11.453 -2.390 17 HB ILE 47 HB ILE 47 3.613 13.166 -4.610 18 HG12 ILE 47 HG12 ILE 47 2.813 11.188 -5.715 19 HG13 ILE 47 HG13 ILE 47 4.549 11.089 -5.581 20 HG21 ILE 47 HG21 ILE 47 5.786 12.223 -3.936 21 HG22 ILE 47 HG22 ILE 47 5.044 13.162 -2.654 22 HG23 ILE 47 HG23 ILE 47 5.010 11.392 -2.577 23 HD11 ILE 47 HD11 ILE 47 2.537 9.593 -3.841 24 HD12 ILE 47 HD12 ILE 47 3.535 8.915 -5.136 25 HD13 ILE 47 HD13 ILE 47 4.304 9.499 -3.653 26 H LEU 48 H LEU 48 3.325 12.639 -0.741 27 HA LEU 48 HA LEU 48 2.095 15.206 -0.034 28 HB2 LEU 48 HB2 LEU 48 3.983 13.179 1.240 29 HB3 LEU 48 HB3 LEU 48 3.646 14.712 2.034 30 HG LEU 48 HG LEU 48 1.383 12.850 1.321 31 HD11 LEU 48 HD11 LEU 48 2.980 11.543 2.659 32 HD12 LEU 48 HD12 LEU 48 1.546 11.947 3.623 33 HD13 LEU 48 HD13 LEU 48 3.058 12.851 3.863 34 HD21 LEU 48 HD21 LEU 48 1.792 15.060 3.387 35 HD22 LEU 48 HD22 LEU 48 0.353 14.048 3.283 36 HD23 LEU 48 HD23 LEU 48 0.764 15.149 1.941 37 HA PRO 49 HA PRO 49 5.669 17.733 -1.034 38 HB2 PRO 49 HB2 PRO 49 5.812 19.568 1.027 39 HB3 PRO 49 HB3 PRO 49 4.543 19.559 -0.230 40 HG2 PRO 49 HG2 PRO 49 4.404 18.335 2.536 41 HG3 PRO 49 HG3 PRO 49 3.218 19.451 1.763 42 HD2 PRO 49 HD2 PRO 49 2.837 16.774 1.750 43 HD3 PRO 49 HD3 PRO 49 2.465 17.742 0.298 44 H ASN 50 H ASN 50 5.908 15.421 1.385 45 HA ASN 50 HA ASN 50 8.833 15.949 1.744 46 HB2 ASN 50 HB2 ASN 50 8.757 14.657 3.720 47 HB3 ASN 50 HB3 ASN 50 7.407 15.786 3.836 48 HD21 ASN 50 HD21 ASN 50 8.235 12.579 4.388 49 HD22 ASN 50 HD22 ASN 50 6.640 11.890 4.246 50 H GLY 51 H GLY 51 6.801 14.138 -0.232 51 HA2 GLY 51 HA2 GLY 51 7.586 12.680 -1.887 52 HA3 GLY 51 HA3 GLY 51 8.983 12.238 -0.874 53 H ASN 52 H ASN 52 6.432 11.847 1.189 54 HA ASN 52 HA ASN 52 6.118 8.993 0.484 55 HB2 ASN 52 HB2 ASN 52 6.697 9.887 2.833 56 HB3 ASN 52 HB3 ASN 52 4.985 10.291 2.961 57 HD21 ASN 52 HD21 ASN 52 6.058 8.510 4.780 58 HD22 ASN 52 HD22 ASN 52 5.645 6.861 4.361 59 H ILE 53 H ILE 53 3.684 8.199 1.045 60 HA ILE 53 HA ILE 53 1.987 9.618 -0.973 61 HB ILE 53 HB ILE 53 1.842 6.892 0.337 62 HG12 ILE 53 HG12 ILE 53 2.217 7.619 -2.606 63 HG13 ILE 53 HG13 ILE 53 3.573 7.430 -1.520 64 HG21 ILE 53 HG21 ILE 53 -0.107 8.157 -1.661 65 HG22 ILE 53 HG22 ILE 53 -0.067 6.430 -1.251 66 HG23 ILE 53 HG23 ILE 53 -0.466 7.601 -0.014 67 HD11 ILE 53 HD11 ILE 53 3.257 5.400 -2.754 68 HD12 ILE 53 HD12 ILE 53 2.936 5.110 -1.030 69 HD13 ILE 53 HD13 ILE 53 1.581 5.255 -2.184 70 H ASN 54 H ASN 54 0.041 10.545 -0.597 71 HA ASN 54 HA ASN 54 -0.494 11.458 2.103 72 HB2 ASN 54 HB2 ASN 54 -0.819 12.784 -0.037 73 HB3 ASN 54 HB3 ASN 54 -2.250 11.812 -0.364 74 HD21 ASN 54 HD21 ASN 54 -4.204 12.387 0.813 75 HD22 ASN 54 HD22 ASN 54 -4.197 13.719 1.971 76 H TRP 55 H TRP 55 -0.769 9.470 3.166 77 HA TRP 55 HA TRP 55 -2.811 7.577 2.825 78 HB2 TRP 55 HB2 TRP 55 -1.486 8.436 5.419 79 HB3 TRP 55 HB3 TRP 55 -2.192 6.877 5.067 80 HD1 TRP 55 HD1 TRP 55 0.977 8.190 5.628 81 HE1 TRP 55 HE1 TRP 55 2.886 6.960 4.432 82 HE3 TRP 55 HE3 TRP 55 -1.747 5.678 2.061 83 HZ2 TRP 55 HZ2 TRP 55 3.176 4.980 2.370 84 HZ3 TRP 55 HZ3 TRP 55 -0.612 4.105 0.525 85 HH2 TRP 55 HH2 TRP 55 1.836 3.732 0.684 86 H ASN 56 H ASN 56 -4.005 10.193 2.648 87 HA ASN 56 HA ASN 56 -6.280 9.951 4.520 88 HB2 ASN 56 HB2 ASN 56 -4.096 11.798 4.969 89 HB3 ASN 56 HB3 ASN 56 -5.492 12.739 4.497 90 HD21 ASN 56 HD21 ASN 56 -4.730 9.877 6.609 91 HD22 ASN 56 HD22 ASN 56 -5.730 10.474 7.930 92 H CYS 57 H CYS 57 -5.377 10.307 1.371 93 HA CYS 57 HA CYS 57 -7.525 12.091 0.457 94 HB2 CYS 57 HB2 CYS 57 -5.896 9.871 -0.900 95 HB3 CYS 57 HB3 CYS 57 -7.124 10.830 -1.726 96 HG CYS 57 HG CYS 57 -6.045 13.206 -1.110 97 HA PRO 58 HA PRO 58 -10.832 9.062 1.075 98 HB2 PRO 58 HB2 PRO 58 -12.443 9.473 -1.129 99 HB3 PRO 58 HB3 PRO 58 -12.397 10.560 0.286 100 HG2 PRO 58 HG2 PRO 58 -10.909 10.858 -2.335 101 HG3 PRO 58 HG3 PRO 58 -11.859 12.101 -1.455 102 HD2 PRO 58 HD2 PRO 58 -9.155 11.974 -1.249 103 HD3 PRO 58 HD3 PRO 58 -10.164 12.354 0.183 104 H CYS 59 H CYS 59 -11.338 6.969 0.339 105 HA CYS 59 HA CYS 59 -11.014 4.941 -0.614 106 HB2 CYS 59 HB2 CYS 59 -11.792 6.045 -2.662 107 HB3 CYS 59 HB3 CYS 59 -10.132 6.469 -3.099 108 HG CYS 59 HG CYS 59 -10.963 4.364 -4.549 109 H LEU 60 H LEU 60 -8.171 6.620 -2.010 110 HA LEU 60 HA LEU 60 -6.391 4.417 -1.636 111 HB2 LEU 60 HB2 LEU 60 -6.008 6.292 -3.228 112 HB3 LEU 60 HB3 LEU 60 -5.832 7.414 -1.889 113 HG LEU 60 HG LEU 60 -3.790 6.097 -1.123 114 HD11 LEU 60 HD11 LEU 60 -4.271 3.959 -2.283 115 HD12 LEU 60 HD12 LEU 60 -2.704 4.608 -2.768 116 HD13 LEU 60 HD13 LEU 60 -4.098 4.756 -3.863 117 HD21 LEU 60 HD21 LEU 60 -2.310 7.059 -2.837 118 HD22 LEU 60 HD22 LEU 60 -3.582 8.194 -2.372 119 HD23 LEU 60 HD23 LEU 60 -3.697 7.319 -3.917 120 H GLY 61 H GLY 61 -6.902 7.306 0.424 121 HA2 GLY 61 HA2 GLY 61 -4.930 6.511 2.424 122 HA3 GLY 61 HA3 GLY 61 -6.131 7.833 2.543 123 H GLY 62 H GLY 62 -8.203 5.664 1.815 124 HA2 GLY 62 HA2 GLY 62 -8.869 4.784 4.552 125 HA3 GLY 62 HA3 GLY 62 -9.848 4.564 3.068 126 H MET 63 H MET 63 -8.082 3.235 1.387 127 HA MET 63 HA MET 63 -8.121 0.534 2.371 128 HB2 MET 63 HB2 MET 63 -6.664 1.774 -0.010 129 HB3 MET 63 HB3 MET 63 -6.754 0.038 0.326 130 HG2 MET 63 HG2 MET 63 -9.264 0.222 0.339 131 HG3 MET 63 HG3 MET 63 -9.113 1.868 -0.255 132 HE1 MET 63 HE1 MET 63 -6.636 1.611 -2.366 133 HE2 MET 63 HE2 MET 63 -7.633 1.409 -3.820 134 HE3 MET 63 HE3 MET 63 -8.144 2.541 -2.553 135 H ALA 64 H ALA 64 -5.651 3.001 2.688 136 HA ALA 64 HA ALA 64 -3.589 1.123 3.500 137 HB1 ALA 64 HB1 ALA 64 -3.304 3.424 2.421 138 HB2 ALA 64 HB2 ALA 64 -3.740 4.120 3.997 139 HB3 ALA 64 HB3 ALA 64 -2.288 3.095 3.827 140 H SER 65 H SER 65 -6.344 1.322 5.083 141 HA SER 65 HA SER 65 -5.340 2.027 7.781 142 HB2 SER 65 HB2 SER 65 -7.440 2.968 6.745 143 HB3 SER 65 HB3 SER 65 -8.164 1.364 6.921 144 HG SER 65 HG SER 65 -8.671 2.634 8.685 145 H GLY 66 H GLY 66 -6.374 0.722 9.634 146 HA2 GLY 66 HA2 GLY 66 -6.650 -1.229 10.852 147 HA3 GLY 66 HA3 GLY 66 -7.199 -1.914 9.316 148 HA PRO 67 HA PRO 67 -3.604 -4.361 10.790 149 HB2 PRO 67 HB2 PRO 67 -4.499 -6.872 10.134 150 HB3 PRO 67 HB3 PRO 67 -5.022 -5.968 11.595 151 HG2 PRO 67 HG2 PRO 67 -6.466 -6.190 8.942 152 HG3 PRO 67 HG3 PRO 67 -7.139 -6.391 10.591 153 HD2 PRO 67 HD2 PRO 67 -7.350 -4.054 9.199 154 HD3 PRO 67 HD3 PRO 67 -7.113 -4.067 10.968 155 H CYS 68 H CYS 68 -5.126 -5.508 7.634 156 HA CYS 68 HA CYS 68 -2.579 -6.101 6.479 157 HB2 CYS 68 HB2 CYS 68 -5.098 -5.310 4.965 158 HB3 CYS 68 HB3 CYS 68 -3.706 -6.166 4.325 159 H GLY 69 H GLY 69 -4.017 -2.979 6.996 160 HA2 GLY 69 HA2 GLY 69 -3.230 -1.473 4.844 161 HA3 GLY 69 HA3 GLY 69 -3.367 -0.853 6.487 162 H GLU 70 H GLU 70 -1.094 -2.356 7.617 163 HA GLU 70 HA GLU 70 1.023 -0.542 6.833 164 HB2 GLU 70 HB2 GLU 70 2.463 -1.741 8.290 165 HB3 GLU 70 HB3 GLU 70 0.945 -1.478 9.080 166 HG2 GLU 70 HG2 GLU 70 0.372 -3.752 9.097 167 HG3 GLU 70 HG3 GLU 70 1.414 -4.131 7.704 168 H GLN 71 H GLN 71 0.080 -3.644 5.520 169 HA GLN 71 HA GLN 71 2.571 -4.202 4.068 170 HB2 GLN 71 HB2 GLN 71 -0.242 -5.158 3.382 171 HB3 GLN 71 HB3 GLN 71 1.292 -5.840 2.875 172 HG2 GLN 71 HG2 GLN 71 0.118 -5.930 5.678 173 HG3 GLN 71 HG3 GLN 71 0.274 -7.267 4.549 174 HE21 GLN 71 HE21 GLN 71 1.716 -6.065 7.316 175 HE22 GLN 71 HE22 GLN 71 3.374 -6.487 6.937 176 H PHE 72 H PHE 72 -0.623 -2.700 3.297 177 HA PHE 72 HA PHE 72 0.039 -1.988 0.599 178 HB2 PHE 72 HB2 PHE 72 -2.250 -2.210 1.564 179 HB3 PHE 72 HB3 PHE 72 -1.992 -0.773 2.530 180 HD1 PHE 72 HD2 PHE 72 -2.145 -2.021 -1.000 181 HD2 PHE 72 HD1 PHE 72 -2.433 1.386 1.603 182 HE1 PHE 72 HE2 PHE 72 -3.160 -0.705 -2.836 183 HE2 PHE 72 HE1 PHE 72 -3.479 2.703 -0.221 184 HZ PHE 72 HZ PHE 72 -3.833 1.654 -2.458 185 H LYS 73 H LYS 73 0.321 -0.163 3.688 186 HA LYS 73 HA LYS 73 1.394 2.293 2.719 187 HB2 LYS 73 HB2 LYS 73 2.112 0.666 5.203 188 HB3 LYS 73 HB3 LYS 73 2.658 2.285 4.924 189 HG2 LYS 73 HG2 LYS 73 -0.298 1.588 5.119 190 HG3 LYS 73 HG3 LYS 73 0.717 1.977 6.527 191 HD2 LYS 73 HD2 LYS 73 1.217 4.202 5.472 192 HD3 LYS 73 HD3 LYS 73 0.157 3.751 4.136 193 HE2 LYS 73 HE2 LYS 73 -1.100 5.167 5.597 194 HE3 LYS 73 HE3 LYS 73 -1.759 3.533 5.736 195 HZ1 LYS 73 HZ1 LYS 73 0.168 4.718 7.649 196 HZ2 LYS 73 HZ2 LYS 73 -0.634 3.280 7.816 197 HZ3 LYS 73 HZ3 LYS 73 -1.450 4.707 7.876 198 H SER 74 H SER 74 3.179 -0.649 3.714 199 HA SER 74 HA SER 74 5.739 0.168 2.903 200 HB2 SER 74 HB2 SER 74 4.943 -1.865 4.362 201 HB3 SER 74 HB3 SER 74 4.959 -2.735 2.809 202 HG SER 74 HG SER 74 7.094 -1.360 4.139 203 H ALA 75 H ALA 75 3.635 -2.106 1.146 204 HA ALA 75 HA ALA 75 5.098 -2.537 -1.148 205 HB1 ALA 75 HB1 ALA 75 2.829 -3.102 -2.093 206 HB2 ALA 75 HB2 ALA 75 2.983 -3.676 -0.437 207 HB3 ALA 75 HB3 ALA 75 2.052 -2.214 -0.779 208 H PHE 76 H PHE 76 2.659 0.092 -0.750 209 HA PHE 76 HA PHE 76 3.189 1.140 -3.390 210 HB2 PHE 76 HB2 PHE 76 1.103 1.282 -1.618 211 HB3 PHE 76 HB3 PHE 76 1.799 2.867 -1.410 212 HD1 PHE 76 HD2 PHE 76 2.596 3.670 -4.150 213 HD2 PHE 76 HD1 PHE 76 -0.832 1.415 -2.838 214 HE1 PHE 76 HE2 PHE 76 1.333 4.439 -6.128 215 HE2 PHE 76 HE1 PHE 76 -2.084 2.169 -4.837 216 HZ PHE 76 HZ PHE 76 -1.005 3.681 -6.494 217 H SER 77 H SER 77 4.288 2.060 -0.062 218 HA SER 77 HA SER 77 5.742 4.366 -0.962 219 HB2 SER 77 HB2 SER 77 6.916 4.343 1.105 220 HB3 SER 77 HB3 SER 77 5.215 3.978 1.405 221 HG SER 77 HG SER 77 6.109 1.643 1.217 222 H CYS 78 H CYS 78 6.869 0.952 -0.611 223 HA CYS 78 HA CYS 78 9.509 1.362 -1.627 224 HB2 CYS 78 HB2 CYS 78 8.751 -0.640 -0.439 225 HB3 CYS 78 HB3 CYS 78 7.598 -1.030 -1.713 226 H PHE 79 H PHE 79 6.464 0.583 -3.413 227 HA PHE 79 HA PHE 79 7.607 0.546 -6.011 228 HB2 PHE 79 HB2 PHE 79 5.462 -0.405 -5.622 229 HB3 PHE 79 HB3 PHE 79 4.865 1.075 -4.883 230 HD1 PHE 79 HD2 PHE 79 6.492 0.284 -8.212 231 HD2 PHE 79 HD1 PHE 79 3.186 2.080 -6.100 232 HE1 PHE 79 HE2 PHE 79 5.576 1.117 -10.353 233 HE2 PHE 79 HE1 PHE 79 2.259 2.916 -8.252 234 HZ PHE 79 HZ PHE 79 3.460 2.425 -10.380 235 H HIS 80 H HIS 80 6.647 3.312 -3.984 236 HA HIS 80 HA HIS 80 7.105 5.197 -6.252 237 HB2 HIS 80 HB2 HIS 80 5.458 5.695 -4.446 238 HB3 HIS 80 HB3 HIS 80 6.735 5.771 -3.257 239 HD1 HIS 80 HD1 HIS 80 7.369 8.329 -2.840 240 HD2 HIS 80 HD2 HIS 80 6.182 7.440 -6.785 241 HE1 HIS 80 HE1 HIS 80 7.544 10.475 -4.146 242 H TYR 81 H TYR 81 8.906 4.415 -3.156 243 HA TYR 81 HA TYR 81 10.980 6.276 -3.697 244 HB2 TYR 81 HB2 TYR 81 10.719 3.873 -1.867 245 HB3 TYR 81 HB3 TYR 81 12.198 4.836 -1.941 246 HD1 TYR 81 HD2 TYR 81 8.604 6.091 -1.891 247 HD2 TYR 81 HD1 TYR 81 12.366 5.797 0.157 248 HE1 TYR 81 HE2 TYR 81 7.746 7.562 -0.113 249 HE2 TYR 81 HE1 TYR 81 11.503 7.269 1.947 250 HH TYR 81 HH TYR 81 9.676 8.400 2.775 251 H SER 82 H SER 82 10.605 2.955 -4.784 252 HA SER 82 HA SER 82 13.352 2.601 -5.653 253 HB2 SER 82 HB2 SER 82 11.672 0.783 -5.114 254 HB3 SER 82 HB3 SER 82 10.822 1.199 -6.651 255 HG SER 82 HG SER 82 12.240 -0.469 -7.078 256 H THR 83 H THR 83 10.826 4.493 -6.982 257 HA THR 83 HA THR 83 10.128 5.011 -9.100 258 HB THR 83 HB THR 83 11.504 6.669 -10.133 259 HG1 THR 83 HG1 THR 83 13.488 7.092 -9.583 260 HG21 THR 83 HG21 THR 83 11.696 6.873 -7.099 261 HG22 THR 83 HG22 THR 83 10.254 7.254 -8.072 262 HG23 THR 83 HG23 THR 83 11.733 8.215 -8.270 263 H GLU 84 H GLU 84 9.821 2.918 -9.949 264 HA GLU 84 HA GLU 84 11.512 2.488 -12.404 265 HB2 GLU 84 HB2 GLU 84 10.072 0.429 -10.699 266 HB3 GLU 84 HB3 GLU 84 10.452 0.148 -12.397 267 HG2 GLU 84 HG2 GLU 84 12.864 0.520 -11.950 268 HG3 GLU 84 HG3 GLU 84 12.488 0.648 -10.228 269 H GLU 85 H GLU 85 8.361 0.933 -11.954 270 HA GLU 85 HA GLU 85 6.877 2.865 -13.493 271 HB2 GLU 85 HB2 GLU 85 8.598 1.779 -15.181 272 HB3 GLU 85 HB3 GLU 85 7.527 0.381 -15.090 273 HG2 GLU 85 HG2 GLU 85 5.651 2.275 -15.512 274 HG3 GLU 85 HG3 GLU 85 7.027 3.153 -16.175 275 H ILE 86 H ILE 86 7.003 -0.780 -13.053 276 HA ILE 86 HA ILE 86 4.041 -0.753 -13.015 277 HB ILE 86 HB ILE 86 6.073 -2.993 -13.257 278 HG12 ILE 86 HG12 ILE 86 5.979 -1.655 -15.280 279 HG13 ILE 86 HG13 ILE 86 5.260 -3.227 -15.555 280 HG21 ILE 86 HG21 ILE 86 4.166 -3.975 -12.156 281 HG22 ILE 86 HG22 ILE 86 3.035 -3.190 -13.277 282 HG23 ILE 86 HG23 ILE 86 4.134 -4.463 -13.848 283 HD11 ILE 86 HD11 ILE 86 2.973 -2.197 -15.373 284 HD12 ILE 86 HD12 ILE 86 3.746 -0.602 -15.183 285 HD13 ILE 86 HD13 ILE 86 3.954 -1.518 -16.676 286 H LYS 87 H LYS 87 2.728 -1.547 -11.437 287 HA LYS 87 HA LYS 87 3.468 -0.924 -8.785 288 HB2 LYS 87 HB2 LYS 87 1.095 -2.463 -9.906 289 HB3 LYS 87 HB3 LYS 87 1.265 -1.988 -8.211 290 HG2 LYS 87 HG2 LYS 87 1.415 0.406 -8.902 291 HG3 LYS 87 HG3 LYS 87 1.123 -0.072 -10.585 292 HD2 LYS 87 HD2 LYS 87 -1.037 -1.078 -9.911 293 HD3 LYS 87 HD3 LYS 87 -0.721 -0.648 -8.227 294 HE2 LYS 87 HE2 LYS 87 -2.118 1.069 -8.812 295 HE3 LYS 87 HE3 LYS 87 -0.542 1.817 -9.109 296 HZ1 LYS 87 HZ1 LYS 87 -2.042 2.223 -10.926 297 HZ2 LYS 87 HZ2 LYS 87 -2.370 0.620 -11.106 298 HZ3 LYS 87 HZ3 LYS 87 -0.878 1.202 -11.485 299 H GLY 88 H GLY 88 5.126 -1.963 -7.911 300 HA2 GLY 88 HA2 GLY 88 5.769 -3.616 -6.315 301 HA3 GLY 88 HA3 GLY 88 4.788 -4.836 -7.144 302 H SER 89 H SER 89 6.684 -3.023 -9.420 303 HA SER 89 HA SER 89 8.138 -5.324 -10.169 304 HB2 SER 89 HB2 SER 89 9.285 -3.894 -11.751 305 HB3 SER 89 HB3 SER 89 7.585 -3.470 -11.658 306 HG SER 89 HG SER 89 9.813 -2.049 -10.543 307 H ASP 90 H ASP 90 9.066 -3.414 -7.508 308 HA ASP 90 HA ASP 90 11.572 -5.023 -7.377 309 HB2 ASP 90 HB2 ASP 90 11.684 -2.300 -7.764 310 HB3 ASP 90 HB3 ASP 90 11.617 -2.351 -6.016 311 H CYS 91 H CYS 91 8.643 -4.654 -6.180 312 HA CYS 91 HA CYS 91 9.303 -5.007 -3.263 313 HB2 CYS 91 HB2 CYS 91 7.064 -3.358 -4.446 314 HB3 CYS 91 HB3 CYS 91 7.573 -3.384 -2.771 315 H VAL 92 H VAL 92 8.053 -6.668 -5.688 316 HA VAL 92 HA VAL 92 5.443 -7.183 -5.445 317 HB VAL 92 HB VAL 92 7.012 -8.129 -7.118 318 HG11 VAL 92 HG11 VAL 92 8.039 -10.295 -6.882 319 HG12 VAL 92 HG12 VAL 92 8.648 -9.223 -5.600 320 HG13 VAL 92 HG13 VAL 92 7.423 -10.458 -5.232 321 HG21 VAL 92 HG21 VAL 92 5.029 -10.152 -6.046 322 HG22 VAL 92 HG22 VAL 92 4.620 -8.756 -7.066 323 HG23 VAL 92 HG23 VAL 92 5.654 -10.058 -7.702 324 H ASP 93 H ASP 93 7.808 -8.623 -3.250 325 HA ASP 93 HA ASP 93 6.347 -10.585 -1.903 326 HB2 ASP 93 HB2 ASP 93 8.776 -10.103 -1.835 327 HB3 ASP 93 HB3 ASP 93 8.464 -8.620 -0.935 328 H GLN 94 H GLN 94 6.111 -7.049 -1.518 329 HA GLN 94 HA GLN 94 4.577 -7.256 1.019 330 HB2 GLN 94 HB2 GLN 94 5.353 -4.898 -0.720 331 HB3 GLN 94 HB3 GLN 94 4.566 -4.780 0.838 332 HG2 GLN 94 HG2 GLN 94 6.458 -5.054 2.030 333 HG3 GLN 94 HG3 GLN 94 7.002 -6.412 1.032 334 HE21 GLN 94 HE21 GLN 94 9.203 -5.705 0.932 335 HE22 GLN 94 HE22 GLN 94 9.626 -4.290 -0.042 336 H PHE 95 H PHE 95 3.914 -6.418 -2.423 337 HA PHE 95 HA PHE 95 1.098 -5.907 -2.131 338 HB2 PHE 95 HB2 PHE 95 2.765 -6.992 -4.453 339 HB3 PHE 95 HB3 PHE 95 1.065 -6.592 -4.578 340 HD1 PHE 95 HD1 PHE 95 4.441 -5.117 -3.917 341 HD2 PHE 95 HD2 PHE 95 0.320 -4.341 -4.924 342 HE1 PHE 95 HE1 PHE 95 4.980 -2.726 -4.318 343 HE2 PHE 95 HE2 PHE 95 0.880 -1.964 -5.374 344 HZ PHE 95 HZ PHE 95 3.213 -1.154 -5.050 345 H ARG 96 H ARG 96 2.991 -8.842 -2.678 346 HA ARG 96 HA ARG 96 0.946 -10.805 -2.846 347 HB2 ARG 96 HB2 ARG 96 3.262 -11.014 -3.569 348 HB3 ARG 96 HB3 ARG 96 3.833 -10.840 -1.918 349 HG2 ARG 96 HG2 ARG 96 2.746 -13.050 -1.376 350 HG3 ARG 96 HG3 ARG 96 2.329 -13.209 -3.117 351 HD2 ARG 96 HD2 ARG 96 4.778 -12.750 -3.616 352 HD3 ARG 96 HD3 ARG 96 5.123 -12.803 -1.892 353 HE ARG 96 HE ARG 96 4.867 -14.981 -3.725 354 HH11 ARG 96 HH11 ARG 96 4.039 -14.465 -0.291 355 HH12 ARG 96 HH12 ARG 96 5.037 -15.778 0.216 356 HH21 ARG 96 HH21 ARG 96 5.960 -16.660 -3.059 357 HH22 ARG 96 HH22 ARG 96 6.101 -17.108 -1.381 358 H ALA 97 H ALA 97 2.960 -9.852 0.015 359 HA ALA 97 HA ALA 97 1.567 -11.300 1.986 360 HB1 ALA 97 HB1 ALA 97 3.019 -8.629 2.223 361 HB2 ALA 97 HB2 ALA 97 2.616 -9.724 3.556 362 HB3 ALA 97 HB3 ALA 97 3.763 -10.246 2.308 363 H MET 98 H MET 98 0.873 -7.975 0.758 364 HA MET 98 HA MET 98 -1.406 -7.457 2.412 365 HB2 MET 98 HB2 MET 98 -0.128 -5.802 0.980 366 HB3 MET 98 HB3 MET 98 -0.858 -6.518 -0.434 367 HG2 MET 98 HG2 MET 98 -3.039 -5.964 1.294 368 HG3 MET 98 HG3 MET 98 -1.938 -4.604 1.489 369 HE1 MET 98 HE1 MET 98 -4.089 -6.758 -0.879 370 HE2 MET 98 HE2 MET 98 -4.064 -5.893 -2.422 371 HE3 MET 98 HE3 MET 98 -2.623 -6.784 -1.892 372 H GLN 99 H GLN 99 -1.167 -9.220 -0.706 373 HA GLN 99 HA GLN 99 -4.003 -9.519 -1.054 374 HB2 GLN 99 HB2 GLN 99 -1.584 -10.090 -2.520 375 HB3 GLN 99 HB3 GLN 99 -2.470 -11.586 -2.419 376 HG2 GLN 99 HG2 GLN 99 -3.677 -8.938 -3.335 377 HG3 GLN 99 HG3 GLN 99 -3.002 -10.146 -4.426 378 HE21 GLN 99 HE21 GLN 99 -5.937 -9.074 -3.772 379 HE22 GLN 99 HE22 GLN 99 -6.761 -10.622 -3.870 380 H GLU 100 H GLU 100 -1.539 -11.944 0.102 381 HA GLU 100 HA GLU 100 -3.496 -13.921 0.715 382 HB2 GLU 100 HB2 GLU 100 -1.778 -15.033 2.033 383 HB3 GLU 100 HB3 GLU 100 -1.164 -14.455 0.465 384 HG2 GLU 100 HG2 GLU 100 -0.205 -12.460 1.718 385 HG3 GLU 100 HG3 GLU 100 -0.589 -13.287 3.212 386 H CYS 101 H CYS 101 -2.519 -11.088 2.531 387 HA CYS 101 HA CYS 101 -4.040 -11.676 4.938 388 HB2 CYS 101 HB2 CYS 101 -2.104 -10.123 4.761 389 HB3 CYS 101 HB3 CYS 101 -3.063 -9.019 3.782 390 H MET 102 H MET 102 -4.787 -9.482 2.106 391 HA MET 102 HA MET 102 -7.373 -8.820 3.102 392 HB2 MET 102 HB2 MET 102 -6.158 -8.651 0.331 393 HB3 MET 102 HB3 MET 102 -7.824 -8.139 0.673 394 HG2 MET 102 HG2 MET 102 -6.983 -6.626 2.457 395 HG3 MET 102 HG3 MET 102 -5.325 -7.031 2.002 396 HE1 MET 102 HE1 MET 102 -6.447 -4.054 2.233 397 HE2 MET 102 HE2 MET 102 -4.784 -4.475 1.791 398 HE3 MET 102 HE3 MET 102 -5.698 -3.335 0.800 399 H GLN 103 H GLN 103 -6.448 -11.644 1.137 400 HA GLN 103 HA GLN 103 -9.245 -12.365 0.728 401 HB2 GLN 103 HB2 GLN 103 -8.485 -14.436 -0.166 402 HB3 GLN 103 HB3 GLN 103 -7.537 -13.088 -0.804 403 HG2 GLN 103 HG2 GLN 103 -5.874 -14.611 -0.440 404 HG3 GLN 103 HG3 GLN 103 -5.812 -13.747 1.071 405 HE21 GLN 103 HE21 GLN 103 -5.753 -15.063 2.870 406 HE22 GLN 103 HE22 GLN 103 -6.285 -16.748 2.862 407 H LYS 104 H LYS 104 -7.279 -12.618 3.597 408 HA LYS 104 HA LYS 104 -9.244 -14.506 4.817 409 HB2 LYS 104 HB2 LYS 104 -6.922 -12.997 6.112 410 HB3 LYS 104 HB3 LYS 104 -8.004 -14.152 6.894 411 HG2 LYS 104 HG2 LYS 104 -7.147 -15.801 5.013 412 HG3 LYS 104 HG3 LYS 104 -5.790 -14.665 4.928 413 HD2 LYS 104 HD2 LYS 104 -6.711 -16.367 7.261 414 HD3 LYS 104 HD3 LYS 104 -5.171 -16.444 6.399 415 HE2 LYS 104 HE2 LYS 104 -4.575 -14.180 7.338 416 HE3 LYS 104 HE3 LYS 104 -6.115 -14.181 8.217 417 HZ1 LYS 104 HZ1 LYS 104 -5.212 -16.430 9.114 418 HZ2 LYS 104 HZ2 LYS 104 -4.715 -15.046 9.793 419 HZ3 LYS 104 HZ3 LYS 104 -3.730 -15.820 8.716 420 H TYR 105 H TYR 105 -8.472 -11.053 4.676 421 HA TYR 105 HA TYR 105 -10.645 -10.461 6.660 422 HB2 TYR 105 HB2 TYR 105 -8.187 -8.923 5.815 423 HB3 TYR 105 HB3 TYR 105 -9.421 -8.289 6.873 424 HD1 TYR 105 HD2 TYR 105 -9.543 -11.407 8.232 425 HD2 TYR 105 HD1 TYR 105 -6.683 -8.225 7.673 426 HE1 TYR 105 HE2 TYR 105 -8.248 -12.232 10.170 427 HE2 TYR 105 HE1 TYR 105 -5.364 -9.061 9.603 428 HH TYR 105 HH TYR 105 -5.182 -10.688 11.214 429 HA PRO 106 HA PRO 106 -12.542 -8.724 2.872 430 HB2 PRO 106 HB2 PRO 106 -15.107 -9.586 3.235 431 HB3 PRO 106 HB3 PRO 106 -13.811 -10.606 2.532 432 HG2 PRO 106 HG2 PRO 106 -14.823 -10.590 5.393 433 HG3 PRO 106 HG3 PRO 106 -14.493 -11.992 4.334 434 HD2 PRO 106 HD2 PRO 106 -12.690 -11.100 6.183 435 HD3 PRO 106 HD3 PRO 106 -12.191 -11.812 4.624 436 H ASP 107 H ASP 107 -14.529 -8.789 5.917 437 HA ASP 107 HA ASP 107 -14.603 -5.848 6.043 438 HB2 ASP 107 HB2 ASP 107 -16.298 -6.849 4.271 439 HB3 ASP 107 HB3 ASP 107 -17.266 -7.222 5.689 440 H LEU 108 H LEU 108 -13.756 -8.062 7.808 441 HA LEU 108 HA LEU 108 -15.575 -8.297 10.033 442 HB2 LEU 108 HB2 LEU 108 -13.867 -9.446 11.146 443 HB3 LEU 108 HB3 LEU 108 -13.754 -9.903 9.450 444 HG LEU 108 HG LEU 108 -11.581 -9.802 10.287 445 HD11 LEU 108 HD11 LEU 108 -10.414 -8.128 8.973 446 HD12 LEU 108 HD12 LEU 108 -11.893 -7.177 8.777 447 HD13 LEU 108 HD13 LEU 108 -11.773 -8.793 8.050 448 HD21 LEU 108 HD21 LEU 108 -10.498 -8.075 11.497 449 HD22 LEU 108 HD22 LEU 108 -12.027 -8.403 12.318 450 HD23 LEU 108 HD23 LEU 108 -11.847 -6.951 11.309 451 H TYR 109 H TYR 109 -13.757 -5.679 9.025 452 HA TYR 109 HA TYR 109 -13.902 -4.235 11.616 453 HB2 TYR 109 HB2 TYR 109 -12.859 -2.438 9.899 454 HB3 TYR 109 HB3 TYR 109 -11.925 -3.565 10.806 455 HD1 TYR 109 HD2 TYR 109 -13.748 -3.696 7.462 456 HD2 TYR 109 HD1 TYR 109 -10.152 -4.495 9.703 457 HE1 TYR 109 HE2 TYR 109 -12.685 -4.649 5.419 458 HE2 TYR 109 HE1 TYR 109 -9.087 -5.423 7.645 459 HH TYR 109 HH TYR 109 -10.844 -5.878 4.615 Start of MODEL 13 1 H GLY 45 H GLY 45 0.424 15.942 -5.225 2 HA2 GLY 45 HA2 GLY 45 -1.711 15.718 -6.477 3 HA3 GLY 45 HA3 GLY 45 -0.910 14.356 -7.314 4 H LEU 46 H LEU 46 -0.875 12.369 -6.252 5 HA LEU 46 HA LEU 46 -1.901 12.160 -3.513 6 HB2 LEU 46 HB2 LEU 46 -1.788 9.797 -3.882 7 HB3 LEU 46 HB3 LEU 46 -2.500 10.568 -5.278 8 HG LEU 46 HG LEU 46 0.075 10.425 -6.166 9 HD11 LEU 46 HD11 LEU 46 1.100 8.299 -5.507 10 HD12 LEU 46 HD12 LEU 46 -0.232 7.959 -4.384 11 HD13 LEU 46 HD13 LEU 46 0.878 9.295 -4.065 12 HD21 LEU 46 HD21 LEU 46 -1.905 9.517 -7.328 13 HD22 LEU 46 HD22 LEU 46 -1.932 8.126 -6.226 14 HD23 LEU 46 HD23 LEU 46 -0.574 8.354 -7.348 15 H ILE 47 H ILE 47 1.257 12.535 -4.887 16 HA ILE 47 HA ILE 47 2.646 11.649 -2.431 17 HB ILE 47 HB ILE 47 3.617 13.056 -4.948 18 HG12 ILE 47 HG12 ILE 47 2.877 10.813 -5.494 19 HG13 ILE 47 HG13 ILE 47 4.628 10.884 -5.543 20 HG21 ILE 47 HG21 ILE 47 5.162 13.614 -3.200 21 HG22 ILE 47 HG22 ILE 47 5.229 11.938 -2.617 22 HG23 ILE 47 HG23 ILE 47 5.906 12.371 -4.199 23 HD11 ILE 47 HD11 ILE 47 3.875 8.793 -4.523 24 HD12 ILE 47 HD12 ILE 47 4.737 9.760 -3.313 25 HD13 ILE 47 HD13 ILE 47 2.970 9.673 -3.285 26 H LEU 48 H LEU 48 3.258 12.830 -0.795 27 HA LEU 48 HA LEU 48 2.302 15.568 -0.384 28 HB2 LEU 48 HB2 LEU 48 3.848 13.495 1.236 29 HB3 LEU 48 HB3 LEU 48 3.558 15.102 1.859 30 HG LEU 48 HG LEU 48 1.267 13.284 1.016 31 HD11 LEU 48 HD11 LEU 48 2.532 12.105 2.732 32 HD12 LEU 48 HD12 LEU 48 1.046 12.741 3.442 33 HD13 LEU 48 HD13 LEU 48 2.592 13.562 3.752 34 HD21 LEU 48 HD21 LEU 48 1.461 15.747 2.829 35 HD22 LEU 48 HD22 LEU 48 0.003 14.769 2.596 36 HD23 LEU 48 HD23 LEU 48 0.680 15.670 1.232 37 HA PRO 49 HA PRO 49 6.005 17.569 -1.668 38 HB2 PRO 49 HB2 PRO 49 6.230 19.753 0.018 39 HB3 PRO 49 HB3 PRO 49 4.974 19.578 -1.253 40 HG2 PRO 49 HG2 PRO 49 4.727 18.912 1.692 41 HG3 PRO 49 HG3 PRO 49 3.618 19.915 0.691 42 HD2 PRO 49 HD2 PRO 49 3.091 17.304 1.173 43 HD3 PRO 49 HD3 PRO 49 2.804 17.996 -0.443 44 H ASN 50 H ASN 50 6.028 15.913 1.292 45 HA ASN 50 HA ASN 50 8.929 16.354 1.774 46 HB2 ASN 50 HB2 ASN 50 8.486 15.158 3.899 47 HB3 ASN 50 HB3 ASN 50 7.549 16.633 3.723 48 HD21 ASN 50 HD21 ASN 50 6.190 15.624 5.514 49 HD22 ASN 50 HD22 ASN 50 4.941 14.520 4.991 50 H GLY 51 H GLY 51 7.157 14.449 -0.226 51 HA2 GLY 51 HA2 GLY 51 8.101 12.814 -1.627 52 HA3 GLY 51 HA3 GLY 51 9.226 12.322 -0.333 53 H ASN 52 H ASN 52 6.533 12.356 1.407 54 HA ASN 52 HA ASN 52 6.142 9.494 1.149 55 HB2 ASN 52 HB2 ASN 52 6.406 10.965 3.276 56 HB3 ASN 52 HB3 ASN 52 4.688 11.308 3.067 57 HD21 ASN 52 HD21 ASN 52 6.164 9.843 5.258 58 HD22 ASN 52 HD22 ASN 52 5.424 8.241 5.289 59 H ILE 53 H ILE 53 3.640 8.772 1.539 60 HA ILE 53 HA ILE 53 2.109 9.836 -0.811 61 HB ILE 53 HB ILE 53 2.066 7.174 0.618 62 HG12 ILE 53 HG12 ILE 53 2.723 7.562 -2.316 63 HG13 ILE 53 HG13 ILE 53 3.984 7.784 -1.116 64 HG21 ILE 53 HG21 ILE 53 -0.206 7.676 -0.118 65 HG22 ILE 53 HG22 ILE 53 0.385 8.165 -1.733 66 HG23 ILE 53 HG23 ILE 53 0.468 6.470 -1.209 67 HD11 ILE 53 HD11 ILE 53 3.665 5.505 -0.276 68 HD12 ILE 53 HD12 ILE 53 2.376 5.230 -1.465 69 HD13 ILE 53 HD13 ILE 53 4.035 5.528 -2.012 70 H ASN 54 H ASN 54 0.077 10.623 -0.549 71 HA ASN 54 HA ASN 54 -0.573 11.669 2.013 72 HB2 ASN 54 HB2 ASN 54 -0.842 12.767 -0.236 73 HB3 ASN 54 HB3 ASN 54 -2.272 11.758 -0.504 74 HD21 ASN 54 HD21 ASN 54 -3.928 11.944 1.486 75 HD22 ASN 54 HD22 ASN 54 -4.141 13.615 2.079 76 H TRP 55 H TRP 55 -0.783 9.613 3.173 77 HA TRP 55 HA TRP 55 -2.948 7.858 2.874 78 HB2 TRP 55 HB2 TRP 55 -1.415 8.538 5.394 79 HB3 TRP 55 HB3 TRP 55 -2.333 7.069 5.106 80 HD1 TRP 55 HD1 TRP 55 1.049 7.948 5.329 81 HE1 TRP 55 HE1 TRP 55 2.635 6.656 3.795 82 HE3 TRP 55 HE3 TRP 55 -2.390 5.963 2.070 83 HZ2 TRP 55 HZ2 TRP 55 2.395 4.642 1.717 84 HZ3 TRP 55 HZ3 TRP 55 -1.672 4.369 0.332 85 HH2 TRP 55 HH2 TRP 55 0.693 3.668 0.178 86 H ASN 56 H ASN 56 -3.462 11.047 3.692 87 HA ASN 56 HA ASN 56 -5.835 10.467 5.395 88 HB2 ASN 56 HB2 ASN 56 -4.181 12.377 5.772 89 HB3 ASN 56 HB3 ASN 56 -4.865 13.169 4.370 90 HD21 ASN 56 HD21 ASN 56 -5.948 11.556 7.439 91 HD22 ASN 56 HD22 ASN 56 -7.256 12.700 7.724 92 H CYS 57 H CYS 57 -5.378 10.420 2.038 93 HA CYS 57 HA CYS 57 -7.687 11.996 1.208 94 HB2 CYS 57 HB2 CYS 57 -5.606 10.274 -0.124 95 HB3 CYS 57 HB3 CYS 57 -7.135 10.504 -0.990 96 HG CYS 57 HG CYS 57 -5.197 12.912 0.281 97 HA PRO 58 HA PRO 58 -10.886 9.231 2.099 98 HB2 PRO 58 HB2 PRO 58 -12.963 10.058 0.506 99 HB3 PRO 58 HB3 PRO 58 -12.214 11.074 1.762 100 HG2 PRO 58 HG2 PRO 58 -11.546 11.022 -1.199 101 HG3 PRO 58 HG3 PRO 58 -11.988 12.445 -0.195 102 HD2 PRO 58 HD2 PRO 58 -9.395 11.824 -0.660 103 HD3 PRO 58 HD3 PRO 58 -9.924 12.386 0.959 104 H CYS 59 H CYS 59 -9.100 8.078 -0.097 105 HA CYS 59 HA CYS 59 -10.660 5.646 -0.437 106 HB2 CYS 59 HB2 CYS 59 -9.840 7.284 -2.879 107 HB3 CYS 59 HB3 CYS 59 -9.910 5.511 -2.958 108 HG CYS 59 HG CYS 59 -12.340 7.330 -1.703 109 H LEU 60 H LEU 60 -7.691 7.170 -1.721 110 HA LEU 60 HA LEU 60 -5.843 5.097 -1.403 111 HB2 LEU 60 HB2 LEU 60 -5.438 7.238 -2.544 112 HB3 LEU 60 HB3 LEU 60 -5.585 8.107 -1.019 113 HG LEU 60 HG LEU 60 -3.503 7.052 -0.185 114 HD11 LEU 60 HD11 LEU 60 -2.039 5.821 -1.756 115 HD12 LEU 60 HD12 LEU 60 -3.324 5.837 -2.986 116 HD13 LEU 60 HD13 LEU 60 -3.539 4.934 -1.473 117 HD21 LEU 60 HD21 LEU 60 -2.001 8.316 -1.688 118 HD22 LEU 60 HD22 LEU 60 -3.478 9.228 -1.354 119 HD23 LEU 60 HD23 LEU 60 -3.288 8.393 -2.911 120 H GLY 61 H GLY 61 -6.930 7.413 1.090 121 HA2 GLY 61 HA2 GLY 61 -5.232 6.337 3.197 122 HA3 GLY 61 HA3 GLY 61 -6.536 7.547 3.334 123 H GLY 62 H GLY 62 -8.344 5.385 1.907 124 HA2 GLY 62 HA2 GLY 62 -9.257 4.064 4.400 125 HA3 GLY 62 HA3 GLY 62 -10.035 4.012 2.790 126 H MET 63 H MET 63 -8.066 3.149 1.160 127 HA MET 63 HA MET 63 -7.667 0.372 1.617 128 HB2 MET 63 HB2 MET 63 -7.613 1.655 -0.583 129 HB3 MET 63 HB3 MET 63 -6.009 2.245 -0.109 130 HG2 MET 63 HG2 MET 63 -5.687 0.368 -1.562 131 HG3 MET 63 HG3 MET 63 -5.228 -0.152 0.092 132 HE1 MET 63 HE1 MET 63 -5.323 -2.164 -1.896 133 HE2 MET 63 HE2 MET 63 -5.344 -2.693 -0.208 134 HE3 MET 63 HE3 MET 63 -6.439 -3.443 -1.385 135 H ALA 64 H ALA 64 -5.584 3.125 2.427 136 HA ALA 64 HA ALA 64 -3.490 1.430 3.622 137 HB1 ALA 64 HB1 ALA 64 -3.037 3.614 2.526 138 HB2 ALA 64 HB2 ALA 64 -4.027 4.444 3.749 139 HB3 ALA 64 HB3 ALA 64 -2.537 3.627 4.217 140 H SER 65 H SER 65 -6.572 1.843 4.778 141 HA SER 65 HA SER 65 -5.672 1.993 7.612 142 HB2 SER 65 HB2 SER 65 -8.372 2.600 6.410 143 HB3 SER 65 HB3 SER 65 -8.038 2.504 8.161 144 HG SER 65 HG SER 65 -6.953 4.335 6.250 145 H GLY 66 H GLY 66 -7.599 0.713 8.934 146 HA2 GLY 66 HA2 GLY 66 -8.402 -1.384 9.525 147 HA3 GLY 66 HA3 GLY 66 -8.264 -1.884 7.831 148 HA PRO 67 HA PRO 67 -5.136 -4.085 10.486 149 HB2 PRO 67 HB2 PRO 67 -5.547 -6.647 9.553 150 HB3 PRO 67 HB3 PRO 67 -6.501 -5.889 10.863 151 HG2 PRO 67 HG2 PRO 67 -7.208 -6.109 7.917 152 HG3 PRO 67 HG3 PRO 67 -8.236 -6.461 9.339 153 HD2 PRO 67 HD2 PRO 67 -8.393 -4.086 8.030 154 HD3 PRO 67 HD3 PRO 67 -8.550 -4.156 9.809 155 H CYS 68 H CYS 68 -5.769 -4.786 6.991 156 HA CYS 68 HA CYS 68 -3.030 -5.527 6.483 157 HB2 CYS 68 HB2 CYS 68 -5.259 -4.817 4.530 158 HB3 CYS 68 HB3 CYS 68 -3.781 -5.710 4.159 159 H GLY 69 H GLY 69 -4.138 -2.464 7.076 160 HA2 GLY 69 HA2 GLY 69 -3.438 -0.853 4.941 161 HA3 GLY 69 HA3 GLY 69 -3.410 -0.348 6.637 162 H GLU 70 H GLU 70 -1.221 -1.827 7.630 163 HA GLU 70 HA GLU 70 1.044 -0.441 6.704 164 HB2 GLU 70 HB2 GLU 70 2.356 -1.859 8.151 165 HB3 GLU 70 HB3 GLU 70 0.847 -1.390 8.935 166 HG2 GLU 70 HG2 GLU 70 -0.037 -3.735 8.154 167 HG3 GLU 70 HG3 GLU 70 1.647 -4.113 7.837 168 H GLN 71 H GLN 71 -0.303 -3.427 5.367 169 HA GLN 71 HA GLN 71 2.205 -4.203 4.015 170 HB2 GLN 71 HB2 GLN 71 -0.653 -5.168 3.557 171 HB3 GLN 71 HB3 GLN 71 0.809 -5.865 2.890 172 HG2 GLN 71 HG2 GLN 71 0.057 -5.791 5.844 173 HG3 GLN 71 HG3 GLN 71 -0.025 -7.197 4.780 174 HE21 GLN 71 HE21 GLN 71 1.573 -6.974 7.289 175 HE22 GLN 71 HE22 GLN 71 3.227 -7.203 6.736 176 H PHE 72 H PHE 72 -0.947 -2.698 3.076 177 HA PHE 72 HA PHE 72 -0.144 -2.145 0.382 178 HB2 PHE 72 HB2 PHE 72 -2.500 -2.128 1.011 179 HB3 PHE 72 HB3 PHE 72 -2.218 -0.842 2.174 180 HD1 PHE 72 HD1 PHE 72 -1.388 -1.397 -1.498 181 HD2 PHE 72 HD2 PHE 72 -3.000 1.238 1.493 182 HE1 PHE 72 HE1 PHE 72 -1.762 0.345 -3.226 183 HE2 PHE 72 HE2 PHE 72 -3.422 2.955 -0.228 184 HZ PHE 72 HZ PHE 72 -2.782 2.525 -2.605 185 H LYS 73 H LYS 73 0.039 -0.082 3.352 186 HA LYS 73 HA LYS 73 1.213 2.199 2.140 187 HB2 LYS 73 HB2 LYS 73 1.595 0.991 4.910 188 HB3 LYS 73 HB3 LYS 73 2.434 2.456 4.379 189 HG2 LYS 73 HG2 LYS 73 0.034 3.335 3.820 190 HG3 LYS 73 HG3 LYS 73 -0.503 2.088 4.933 191 HD2 LYS 73 HD2 LYS 73 1.406 4.397 5.541 192 HD3 LYS 73 HD3 LYS 73 -0.266 4.232 6.042 193 HE2 LYS 73 HE2 LYS 73 0.778 3.670 7.985 194 HE3 LYS 73 HE3 LYS 73 0.528 2.064 7.292 195 HZ1 LYS 73 HZ1 LYS 73 3.091 3.588 7.098 196 HZ2 LYS 73 HZ2 LYS 73 2.842 2.025 6.654 197 HZ3 LYS 73 HZ3 LYS 73 2.770 2.425 8.216 198 H SER 74 H SER 74 2.832 -0.825 3.240 199 HA SER 74 HA SER 74 5.479 0.171 2.483 200 HB2 SER 74 HB2 SER 74 4.880 -1.612 4.252 201 HB3 SER 74 HB3 SER 74 4.795 -2.741 2.890 202 HG SER 74 HG SER 74 6.951 -2.358 2.463 203 H ALA 75 H ALA 75 3.174 -2.136 0.894 204 HA ALA 75 HA ALA 75 4.716 -2.768 -1.355 205 HB1 ALA 75 HB1 ALA 75 1.703 -2.255 -1.158 206 HB2 ALA 75 HB2 ALA 75 2.516 -3.216 -2.398 207 HB3 ALA 75 HB3 ALA 75 2.512 -3.774 -0.723 208 H PHE 76 H PHE 76 2.663 0.099 -0.827 209 HA PHE 76 HA PHE 76 3.260 1.132 -3.475 210 HB2 PHE 76 HB2 PHE 76 1.031 1.135 -2.098 211 HB3 PHE 76 HB3 PHE 76 1.725 2.528 -1.298 212 HD1 PHE 76 HD1 PHE 76 1.777 1.489 -4.942 213 HD2 PHE 76 HD2 PHE 76 0.272 4.270 -2.012 214 HE1 PHE 76 HE1 PHE 76 0.804 2.871 -6.751 215 HE2 PHE 76 HE2 PHE 76 -0.726 5.636 -3.831 216 HZ PHE 76 HZ PHE 76 -0.430 4.953 -6.198 217 H SER 77 H SER 77 4.375 1.943 -0.124 218 HA SER 77 HA SER 77 5.884 4.263 -1.012 219 HB2 SER 77 HB2 SER 77 7.103 4.142 1.033 220 HB3 SER 77 HB3 SER 77 5.371 3.904 1.383 221 HG SER 77 HG SER 77 7.343 2.407 2.207 222 H CYS 78 H CYS 78 6.750 0.788 -0.677 223 HA CYS 78 HA CYS 78 9.410 0.987 -1.609 224 HB2 CYS 78 HB2 CYS 78 8.325 -0.963 -0.518 225 HB3 CYS 78 HB3 CYS 78 7.400 -1.272 -1.962 226 H PHE 79 H PHE 79 6.430 0.354 -3.544 227 HA PHE 79 HA PHE 79 7.707 0.406 -6.098 228 HB2 PHE 79 HB2 PHE 79 5.456 -0.448 -5.823 229 HB3 PHE 79 HB3 PHE 79 4.881 1.084 -5.186 230 HD1 PHE 79 HD1 PHE 79 6.812 0.071 -8.296 231 HD2 PHE 79 HD2 PHE 79 3.463 2.224 -6.643 232 HE1 PHE 79 HE1 PHE 79 6.179 0.854 -10.552 233 HE2 PHE 79 HE2 PHE 79 2.838 2.975 -8.924 234 HZ PHE 79 HZ PHE 79 4.194 2.286 -10.888 235 H HIS 80 H HIS 80 6.508 3.182 -4.107 236 HA HIS 80 HA HIS 80 7.094 5.110 -6.154 237 HB2 HIS 80 HB2 HIS 80 5.466 5.533 -4.342 238 HB3 HIS 80 HB3 HIS 80 6.807 5.490 -3.165 239 HD1 HIS 80 HD1 HIS 80 7.563 7.983 -2.586 240 HD2 HIS 80 HD2 HIS 80 6.175 7.439 -6.521 241 HE1 HIS 80 HE1 HIS 80 7.757 10.231 -3.730 242 H TYR 81 H TYR 81 8.893 4.417 -3.133 243 HA TYR 81 HA TYR 81 11.080 6.177 -3.754 244 HB2 TYR 81 HB2 TYR 81 10.663 3.913 -1.754 245 HB3 TYR 81 HB3 TYR 81 12.173 4.763 -1.878 246 HD1 TYR 81 HD2 TYR 81 8.503 5.693 -1.547 247 HD2 TYR 81 HD1 TYR 81 12.581 6.455 -0.374 248 HE1 TYR 81 HE2 TYR 81 7.702 7.282 0.181 249 HE2 TYR 81 HE1 TYR 81 11.766 8.032 1.372 250 HH TYR 81 HH TYR 81 9.913 8.607 2.625 251 H SER 82 H SER 82 10.533 2.806 -4.722 252 HA SER 82 HA SER 82 13.287 2.270 -5.517 253 HB2 SER 82 HB2 SER 82 11.650 0.486 -5.073 254 HB3 SER 82 HB3 SER 82 10.621 1.109 -6.387 255 HG SER 82 HG SER 82 13.041 -0.356 -6.547 256 H THR 83 H THR 83 10.761 4.232 -6.927 257 HA THR 83 HA THR 83 10.349 5.021 -9.023 258 HB THR 83 HB THR 83 11.976 6.607 -9.785 259 HG1 THR 83 HG1 THR 83 13.723 5.227 -9.512 260 HG21 THR 83 HG21 THR 83 10.714 7.194 -7.741 261 HG22 THR 83 HG22 THR 83 12.328 7.923 -7.768 262 HG23 THR 83 HG23 THR 83 12.014 6.509 -6.744 263 H GLU 84 H GLU 84 10.012 2.852 -9.882 264 HA GLU 84 HA GLU 84 11.941 2.081 -12.036 265 HB2 GLU 84 HB2 GLU 84 10.070 0.358 -10.387 266 HB3 GLU 84 HB3 GLU 84 10.880 -0.210 -11.859 267 HG2 GLU 84 HG2 GLU 84 12.437 0.831 -9.488 268 HG3 GLU 84 HG3 GLU 84 11.940 -0.860 -9.652 269 H GLU 85 H GLU 85 9.177 0.329 -12.488 270 HA GLU 85 HA GLU 85 7.766 2.357 -14.167 271 HB2 GLU 85 HB2 GLU 85 8.927 -0.306 -15.070 272 HB3 GLU 85 HB3 GLU 85 7.588 0.473 -15.913 273 HG2 GLU 85 HG2 GLU 85 8.931 2.437 -16.419 274 HG3 GLU 85 HG3 GLU 85 10.304 1.771 -15.499 275 H ILE 86 H ILE 86 7.554 -1.200 -13.433 276 HA ILE 86 HA ILE 86 4.622 -0.962 -13.600 277 HB ILE 86 HB ILE 86 6.519 -3.341 -13.494 278 HG12 ILE 86 HG12 ILE 86 4.727 -2.323 -15.749 279 HG13 ILE 86 HG13 ILE 86 6.429 -1.919 -15.598 280 HG21 ILE 86 HG21 ILE 86 4.424 -4.038 -12.409 281 HG22 ILE 86 HG22 ILE 86 3.477 -3.383 -13.768 282 HG23 ILE 86 HG23 ILE 86 4.549 -4.782 -13.982 283 HD11 ILE 86 HD11 ILE 86 7.032 -4.328 -15.749 284 HD12 ILE 86 HD12 ILE 86 5.318 -4.704 -16.059 285 HD13 ILE 86 HD13 ILE 86 6.222 -3.691 -17.192 286 H LYS 87 H LYS 87 3.166 -1.422 -12.059 287 HA LYS 87 HA LYS 87 3.510 -0.729 -9.418 288 HB2 LYS 87 HB2 LYS 87 1.381 -0.931 -10.686 289 HB3 LYS 87 HB3 LYS 87 1.486 -2.675 -10.584 290 HG2 LYS 87 HG2 LYS 87 -0.052 -2.166 -8.921 291 HG3 LYS 87 HG3 LYS 87 1.440 -2.394 -8.018 292 HD2 LYS 87 HD2 LYS 87 0.392 -0.479 -7.077 293 HD3 LYS 87 HD3 LYS 87 1.733 0.137 -8.029 294 HE2 LYS 87 HE2 LYS 87 -0.160 1.570 -8.431 295 HE3 LYS 87 HE3 LYS 87 0.113 0.645 -9.904 296 HZ1 LYS 87 HZ1 LYS 87 -1.967 0.044 -7.844 297 HZ2 LYS 87 HZ2 LYS 87 -1.727 -0.843 -9.171 298 HZ3 LYS 87 HZ3 LYS 87 -2.214 0.702 -9.358 299 H GLY 88 H GLY 88 5.349 -1.585 -8.537 300 HA2 GLY 88 HA2 GLY 88 6.105 -2.858 -6.675 301 HA3 GLY 88 HA3 GLY 88 5.007 -4.181 -7.128 302 H SER 89 H SER 89 7.044 -2.882 -9.719 303 HA SER 89 HA SER 89 7.909 -5.369 -10.447 304 HB2 SER 89 HB2 SER 89 9.445 -4.300 -11.965 305 HB3 SER 89 HB3 SER 89 7.947 -3.330 -11.828 306 HG SER 89 HG SER 89 10.493 -2.791 -10.657 307 H ASP 90 H ASP 90 9.452 -3.694 -7.847 308 HA ASP 90 HA ASP 90 11.369 -5.976 -7.563 309 HB2 ASP 90 HB2 ASP 90 12.526 -4.027 -8.703 310 HB3 ASP 90 HB3 ASP 90 12.229 -3.044 -7.287 311 H CYS 91 H CYS 91 8.851 -5.357 -6.414 312 HA CYS 91 HA CYS 91 9.389 -5.194 -3.500 313 HB2 CYS 91 HB2 CYS 91 7.453 -3.440 -5.052 314 HB3 CYS 91 HB3 CYS 91 7.519 -3.522 -3.303 315 H VAL 92 H VAL 92 8.492 -7.423 -5.344 316 HA VAL 92 HA VAL 92 5.605 -7.462 -5.474 317 HB VAL 92 HB VAL 92 7.490 -9.819 -5.907 318 HG11 VAL 92 HG11 VAL 92 5.664 -10.667 -7.375 319 HG12 VAL 92 HG12 VAL 92 5.166 -10.557 -5.696 320 HG13 VAL 92 HG13 VAL 92 4.625 -9.323 -6.855 321 HG21 VAL 92 HG21 VAL 92 7.359 -9.259 -8.318 322 HG22 VAL 92 HG22 VAL 92 6.431 -7.793 -7.945 323 HG23 VAL 92 HG23 VAL 92 8.122 -7.959 -7.417 324 H ASP 93 H ASP 93 7.961 -8.868 -3.263 325 HA ASP 93 HA ASP 93 6.655 -10.533 -1.537 326 HB2 ASP 93 HB2 ASP 93 8.902 -9.983 -1.160 327 HB3 ASP 93 HB3 ASP 93 8.608 -8.266 -1.201 328 H GLN 94 H GLN 94 6.395 -6.917 -1.175 329 HA GLN 94 HA GLN 94 4.430 -7.270 0.947 330 HB2 GLN 94 HB2 GLN 94 5.559 -4.850 -0.491 331 HB3 GLN 94 HB3 GLN 94 4.247 -4.713 0.701 332 HG2 GLN 94 HG2 GLN 94 5.641 -4.895 2.440 333 HG3 GLN 94 HG3 GLN 94 6.364 -6.350 1.834 334 HE21 GLN 94 HE21 GLN 94 8.473 -6.252 1.022 335 HE22 GLN 94 HE22 GLN 94 9.288 -4.729 0.673 336 H PHE 95 H PHE 95 4.112 -6.749 -2.559 337 HA PHE 95 HA PHE 95 1.249 -6.224 -2.409 338 HB2 PHE 95 HB2 PHE 95 3.103 -7.134 -4.629 339 HB3 PHE 95 HB3 PHE 95 1.359 -7.062 -4.845 340 HD1 PHE 95 HD1 PHE 95 0.124 -4.920 -4.790 341 HD2 PHE 95 HD2 PHE 95 4.423 -5.053 -4.517 342 HE1 PHE 95 HE1 PHE 95 0.224 -2.483 -5.271 343 HE2 PHE 95 HE2 PHE 95 4.526 -2.617 -4.968 344 HZ PHE 95 HZ PHE 95 2.433 -1.327 -5.352 345 H ARG 96 H ARG 96 3.285 -9.125 -2.567 346 HA ARG 96 HA ARG 96 1.144 -11.043 -2.759 347 HB2 ARG 96 HB2 ARG 96 3.870 -11.225 -2.910 348 HB3 ARG 96 HB3 ARG 96 3.661 -11.741 -1.257 349 HG2 ARG 96 HG2 ARG 96 3.711 -13.665 -2.662 350 HG3 ARG 96 HG3 ARG 96 2.043 -13.512 -2.077 351 HD2 ARG 96 HD2 ARG 96 1.261 -12.756 -4.210 352 HD3 ARG 96 HD3 ARG 96 2.878 -12.273 -4.722 353 HE ARG 96 HE ARG 96 3.439 -14.468 -5.256 354 HH11 ARG 96 HH11 ARG 96 0.138 -14.625 -3.900 355 HH12 ARG 96 HH12 ARG 96 -0.130 -16.147 -4.716 356 HH21 ARG 96 HH21 ARG 96 2.993 -16.376 -6.120 357 HH22 ARG 96 HH22 ARG 96 1.419 -17.118 -5.921 358 H ALA 97 H ALA 97 2.946 -9.741 0.100 359 HA ALA 97 HA ALA 97 1.375 -10.985 2.102 360 HB1 ALA 97 HB1 ALA 97 3.655 -10.004 2.395 361 HB2 ALA 97 HB2 ALA 97 2.939 -8.388 2.241 362 HB3 ALA 97 HB3 ALA 97 2.489 -9.418 3.599 363 H MET 98 H MET 98 0.915 -7.736 0.588 364 HA MET 98 HA MET 98 -1.410 -7.035 2.124 365 HB2 MET 98 HB2 MET 98 -0.138 -5.494 0.549 366 HB3 MET 98 HB3 MET 98 -0.850 -6.351 -0.804 367 HG2 MET 98 HG2 MET 98 -3.140 -5.782 0.508 368 HG3 MET 98 HG3 MET 98 -2.135 -4.539 1.230 369 HE1 MET 98 HE1 MET 98 -2.487 -6.013 -2.546 370 HE2 MET 98 HE2 MET 98 -4.080 -5.864 -1.747 371 HE3 MET 98 HE3 MET 98 -3.649 -4.808 -3.111 372 H GLN 99 H GLN 99 -1.194 -8.734 -1.066 373 HA GLN 99 HA GLN 99 -4.039 -9.171 -1.224 374 HB2 GLN 99 HB2 GLN 99 -1.695 -10.490 -2.644 375 HB3 GLN 99 HB3 GLN 99 -3.377 -10.840 -3.004 376 HG2 GLN 99 HG2 GLN 99 -3.829 -8.463 -3.498 377 HG3 GLN 99 HG3 GLN 99 -2.143 -8.049 -3.111 378 HE21 GLN 99 HE21 GLN 99 -1.836 -10.928 -4.897 379 HE22 GLN 99 HE22 GLN 99 -1.739 -10.157 -6.465 380 H GLU 100 H GLU 100 -1.422 -11.293 0.162 381 HA GLU 100 HA GLU 100 -3.275 -13.356 0.773 382 HB2 GLU 100 HB2 GLU 100 -1.671 -14.532 1.690 383 HB3 GLU 100 HB3 GLU 100 -0.745 -13.501 0.645 384 HG2 GLU 100 HG2 GLU 100 0.573 -13.068 2.379 385 HG3 GLU 100 HG3 GLU 100 -0.697 -12.123 3.128 386 H CYS 101 H CYS 101 -2.370 -10.447 2.628 387 HA CYS 101 HA CYS 101 -3.871 -11.105 5.010 388 HB2 CYS 101 HB2 CYS 101 -2.132 -9.356 4.832 389 HB3 CYS 101 HB3 CYS 101 -3.155 -8.399 3.767 390 H MET 102 H MET 102 -4.856 -9.561 1.902 391 HA MET 102 HA MET 102 -7.526 -8.986 2.920 392 HB2 MET 102 HB2 MET 102 -6.345 -8.893 0.126 393 HB3 MET 102 HB3 MET 102 -8.026 -8.458 0.507 394 HG2 MET 102 HG2 MET 102 -7.200 -6.804 2.181 395 HG3 MET 102 HG3 MET 102 -5.543 -7.144 1.679 396 HE1 MET 102 HE1 MET 102 -8.902 -5.371 0.951 397 HE2 MET 102 HE2 MET 102 -7.617 -4.443 1.759 398 HE3 MET 102 HE3 MET 102 -8.182 -3.951 0.157 399 H GLN 103 H GLN 103 -6.219 -11.864 1.289 400 HA GLN 103 HA GLN 103 -8.948 -12.948 0.960 401 HB2 GLN 103 HB2 GLN 103 -7.819 -15.079 0.417 402 HB3 GLN 103 HB3 GLN 103 -7.297 -13.737 -0.596 403 HG2 GLN 103 HG2 GLN 103 -5.292 -13.454 0.710 404 HG3 GLN 103 HG3 GLN 103 -5.799 -14.678 1.879 405 HE21 GLN 103 HE21 GLN 103 -4.686 -16.508 1.666 406 HE22 GLN 103 HE22 GLN 103 -4.112 -17.183 0.143 407 H LYS 104 H LYS 104 -6.820 -12.581 3.667 408 HA LYS 104 HA LYS 104 -8.148 -14.699 5.233 409 HB2 LYS 104 HB2 LYS 104 -6.122 -12.520 5.886 410 HB3 LYS 104 HB3 LYS 104 -6.791 -13.566 7.113 411 HG2 LYS 104 HG2 LYS 104 -5.633 -14.996 4.749 412 HG3 LYS 104 HG3 LYS 104 -4.495 -14.055 5.692 413 HD2 LYS 104 HD2 LYS 104 -4.569 -16.374 6.451 414 HD3 LYS 104 HD3 LYS 104 -5.041 -15.243 7.726 415 HE2 LYS 104 HE2 LYS 104 -7.431 -15.776 7.349 416 HE3 LYS 104 HE3 LYS 104 -6.999 -16.840 6.010 417 HZ1 LYS 104 HZ1 LYS 104 -6.257 -17.252 8.842 418 HZ2 LYS 104 HZ2 LYS 104 -5.746 -18.203 7.609 419 HZ3 LYS 104 HZ3 LYS 104 -7.344 -18.136 7.994 420 H TYR 105 H TYR 105 -8.647 -11.248 4.665 421 HA TYR 105 HA TYR 105 -10.681 -11.199 6.864 422 HB2 TYR 105 HB2 TYR 105 -8.668 -9.097 6.082 423 HB3 TYR 105 HB3 TYR 105 -9.910 -8.916 7.315 424 HD1 TYR 105 HD1 TYR 105 -9.774 -11.447 8.851 425 HD2 TYR 105 HD2 TYR 105 -6.609 -9.069 7.182 426 HE1 TYR 105 HE1 TYR 105 -8.261 -12.230 10.629 427 HE2 TYR 105 HE2 TYR 105 -5.084 -9.861 8.965 428 HH TYR 105 HH TYR 105 -6.143 -12.175 11.487 429 HA PRO 106 HA PRO 106 -13.122 -9.508 3.410 430 HB2 PRO 106 HB2 PRO 106 -15.584 -10.447 4.108 431 HB3 PRO 106 HB3 PRO 106 -14.311 -11.475 3.409 432 HG2 PRO 106 HG2 PRO 106 -15.055 -11.192 6.319 433 HG3 PRO 106 HG3 PRO 106 -14.739 -12.701 5.391 434 HD2 PRO 106 HD2 PRO 106 -12.857 -11.450 6.993 435 HD3 PRO 106 HD3 PRO 106 -12.428 -12.384 5.518 436 H ASP 107 H ASP 107 -14.804 -9.344 6.642 437 HA ASP 107 HA ASP 107 -14.597 -6.477 6.758 438 HB2 ASP 107 HB2 ASP 107 -16.549 -7.094 5.027 439 HB3 ASP 107 HB3 ASP 107 -17.488 -7.243 6.496 440 H LEU 108 H LEU 108 -13.988 -8.726 8.421 441 HA LEU 108 HA LEU 108 -15.855 -8.925 10.639 442 HB2 LEU 108 HB2 LEU 108 -14.324 -10.396 11.617 443 HB3 LEU 108 HB3 LEU 108 -14.303 -10.729 9.932 444 HG LEU 108 HG LEU 108 -12.117 -11.030 10.654 445 HD11 LEU 108 HD11 LEU 108 -12.113 -8.209 9.421 446 HD12 LEU 108 HD12 LEU 108 -12.169 -9.763 8.547 447 HD13 LEU 108 HD13 LEU 108 -10.761 -9.335 9.510 448 HD21 LEU 108 HD21 LEU 108 -11.970 -8.264 11.985 449 HD22 LEU 108 HD22 LEU 108 -10.792 -9.580 11.997 450 HD23 LEU 108 HD23 LEU 108 -12.318 -9.794 12.834 451 H TYR 109 H TYR 109 -13.750 -6.501 9.800 452 HA TYR 109 HA TYR 109 -13.515 -5.241 12.475 453 HB2 TYR 109 HB2 TYR 109 -12.505 -3.390 10.889 454 HB3 TYR 109 HB3 TYR 109 -11.589 -4.831 11.286 455 HD1 TYR 109 HD2 TYR 109 -13.875 -3.513 8.580 456 HD2 TYR 109 HD1 TYR 109 -10.609 -6.105 9.600 457 HE1 TYR 109 HE2 TYR 109 -13.625 -4.120 6.194 458 HE2 TYR 109 HE1 TYR 109 -10.316 -6.653 7.175 459 HH TYR 109 HH TYR 109 -12.644 -5.688 4.734 Start of MODEL 14 1 H GLY 45 H GLY 45 -0.741 16.394 -4.005 2 HA2 GLY 45 HA2 GLY 45 -1.893 15.458 -5.847 3 HA3 GLY 45 HA3 GLY 45 -0.381 14.655 -6.355 4 H LEU 46 H LEU 46 -1.190 12.438 -6.003 5 HA LEU 46 HA LEU 46 -2.021 11.712 -3.305 6 HB2 LEU 46 HB2 LEU 46 -1.977 9.456 -4.028 7 HB3 LEU 46 HB3 LEU 46 -2.772 10.466 -5.213 8 HG LEU 46 HG LEU 46 -0.513 10.375 -6.534 9 HD11 LEU 46 HD11 LEU 46 -0.201 7.907 -4.747 10 HD12 LEU 46 HD12 LEU 46 0.868 9.316 -4.743 11 HD13 LEU 46 HD13 LEU 46 0.779 8.293 -6.177 12 HD21 LEU 46 HD21 LEU 46 -2.300 7.920 -6.187 13 HD22 LEU 46 HD22 LEU 46 -1.230 8.224 -7.570 14 HD23 LEU 46 HD23 LEU 46 -2.601 9.299 -7.264 15 H ILE 47 H ILE 47 0.991 12.476 -4.678 16 HA ILE 47 HA ILE 47 2.497 11.571 -2.262 17 HB ILE 47 HB ILE 47 3.471 12.868 -4.832 18 HG12 ILE 47 HG12 ILE 47 2.671 10.680 -5.439 19 HG13 ILE 47 HG13 ILE 47 4.417 10.683 -5.453 20 HG21 ILE 47 HG21 ILE 47 5.020 13.328 -3.035 21 HG22 ILE 47 HG22 ILE 47 5.051 11.624 -2.552 22 HG23 ILE 47 HG23 ILE 47 5.729 12.128 -4.107 23 HD11 ILE 47 HD11 ILE 47 2.675 9.505 -3.239 24 HD12 ILE 47 HD12 ILE 47 3.556 8.602 -4.483 25 HD13 ILE 47 HD13 ILE 47 4.452 9.505 -3.248 26 H LEU 48 H LEU 48 3.222 12.967 -0.826 27 HA LEU 48 HA LEU 48 2.085 15.617 -0.453 28 HB2 LEU 48 HB2 LEU 48 4.004 13.755 1.019 29 HB3 LEU 48 HB3 LEU 48 3.715 15.354 1.623 30 HG LEU 48 HG LEU 48 1.377 13.484 1.154 31 HD11 LEU 48 HD11 LEU 48 3.133 13.673 3.641 32 HD12 LEU 48 HD12 LEU 48 2.913 12.254 2.592 33 HD13 LEU 48 HD13 LEU 48 1.559 12.850 3.555 34 HD21 LEU 48 HD21 LEU 48 0.872 15.875 1.562 35 HD22 LEU 48 HD22 LEU 48 1.879 15.853 3.029 36 HD23 LEU 48 HD23 LEU 48 0.392 14.894 2.964 37 HA PRO 49 HA PRO 49 5.646 17.976 -1.818 38 HB2 PRO 49 HB2 PRO 49 5.707 20.126 -0.125 39 HB3 PRO 49 HB3 PRO 49 4.415 19.865 -1.331 40 HG2 PRO 49 HG2 PRO 49 4.379 19.121 1.613 41 HG3 PRO 49 HG3 PRO 49 3.146 20.044 0.694 42 HD2 PRO 49 HD2 PRO 49 2.885 17.386 1.133 43 HD3 PRO 49 HD3 PRO 49 2.394 18.104 -0.428 44 H ASN 50 H ASN 50 5.840 16.125 1.002 45 HA ASN 50 HA ASN 50 8.714 16.808 1.393 46 HB2 ASN 50 HB2 ASN 50 8.647 15.842 3.508 47 HB3 ASN 50 HB3 ASN 50 7.182 16.808 3.428 48 HD21 ASN 50 HD21 ASN 50 7.527 14.740 5.322 49 HD22 ASN 50 HD22 ASN 50 6.431 13.426 4.924 50 H GLY 51 H GLY 51 6.862 14.718 -0.437 51 HA2 GLY 51 HA2 GLY 51 7.722 13.055 -1.864 52 HA3 GLY 51 HA3 GLY 51 9.067 12.742 -0.740 53 H ASN 52 H ASN 52 6.613 12.652 1.356 54 HA ASN 52 HA ASN 52 6.258 9.751 1.194 55 HB2 ASN 52 HB2 ASN 52 6.680 11.147 3.283 56 HB3 ASN 52 HB3 ASN 52 5.025 11.708 3.168 57 HD21 ASN 52 HD21 ASN 52 5.695 10.541 5.484 58 HD22 ASN 52 HD22 ASN 52 5.134 8.879 5.563 59 H ILE 53 H ILE 53 3.805 9.056 1.735 60 HA ILE 53 HA ILE 53 2.168 9.940 -0.630 61 HB ILE 53 HB ILE 53 2.225 7.474 1.110 62 HG12 ILE 53 HG12 ILE 53 2.531 7.592 -1.904 63 HG13 ILE 53 HG13 ILE 53 3.916 7.909 -0.865 64 HG21 ILE 53 HG21 ILE 53 -0.136 7.870 0.600 65 HG22 ILE 53 HG22 ILE 53 0.262 8.169 -1.108 66 HG23 ILE 53 HG23 ILE 53 0.435 6.547 -0.403 67 HD11 ILE 53 HD11 ILE 53 3.847 5.575 -1.613 68 HD12 ILE 53 HD12 ILE 53 3.759 5.711 0.155 69 HD13 ILE 53 HD13 ILE 53 2.300 5.334 -0.785 70 H ASN 54 H ASN 54 0.025 10.638 -0.450 71 HA ASN 54 HA ASN 54 -0.488 12.034 2.060 72 HB2 ASN 54 HB2 ASN 54 -0.671 13.013 -0.284 73 HB3 ASN 54 HB3 ASN 54 -2.195 12.138 -0.445 74 HD21 ASN 54 HD21 ASN 54 -3.933 12.701 1.173 75 HD22 ASN 54 HD22 ASN 54 -3.889 14.306 1.910 76 H TRP 55 H TRP 55 -0.770 10.079 3.286 77 HA TRP 55 HA TRP 55 -2.836 8.212 2.951 78 HB2 TRP 55 HB2 TRP 55 -1.310 8.955 5.463 79 HB3 TRP 55 HB3 TRP 55 -2.199 7.463 5.218 80 HD1 TRP 55 HD1 TRP 55 1.160 8.701 5.121 81 HE1 TRP 55 HE1 TRP 55 2.759 7.156 3.861 82 HE3 TRP 55 HE3 TRP 55 -2.275 5.830 2.622 83 HZ2 TRP 55 HZ2 TRP 55 2.584 4.828 2.147 84 HZ3 TRP 55 HZ3 TRP 55 -1.526 3.966 1.190 85 HH2 TRP 55 HH2 TRP 55 0.888 3.426 0.962 86 H ASN 56 H ASN 56 -3.766 11.235 3.527 87 HA ASN 56 HA ASN 56 -6.001 10.547 5.378 88 HB2 ASN 56 HB2 ASN 56 -5.093 13.149 4.094 89 HB3 ASN 56 HB3 ASN 56 -6.618 12.985 4.962 90 HD21 ASN 56 HD21 ASN 56 -6.608 12.732 7.305 91 HD22 ASN 56 HD22 ASN 56 -5.118 13.007 8.187 92 H CYS 57 H CYS 57 -5.401 10.620 1.920 93 HA CYS 57 HA CYS 57 -7.933 11.495 0.998 94 HB2 CYS 57 HB2 CYS 57 -5.886 9.589 -0.245 95 HB3 CYS 57 HB3 CYS 57 -7.231 10.327 -1.140 96 HG CYS 57 HG CYS 57 -6.565 12.852 -0.586 97 HA PRO 58 HA PRO 58 -10.610 8.263 2.247 98 HB2 PRO 58 HB2 PRO 58 -12.629 8.290 0.348 99 HB3 PRO 58 HB3 PRO 58 -12.419 9.508 1.644 100 HG2 PRO 58 HG2 PRO 58 -11.488 9.670 -1.239 101 HG3 PRO 58 HG3 PRO 58 -12.354 10.914 -0.279 102 HD2 PRO 58 HD2 PRO 58 -9.665 11.013 -0.596 103 HD3 PRO 58 HD3 PRO 58 -10.402 11.423 0.982 104 H CYS 59 H CYS 59 -9.577 8.033 -1.191 105 HA CYS 59 HA CYS 59 -9.913 5.165 -1.366 106 HB2 CYS 59 HB2 CYS 59 -8.450 5.561 -3.442 107 HB3 CYS 59 HB3 CYS 59 -9.982 6.434 -3.390 108 HG CYS 59 HG CYS 59 -7.864 7.898 -4.440 109 H LEU 60 H LEU 60 -6.817 6.841 -1.647 110 HA LEU 60 HA LEU 60 -5.309 4.544 -0.996 111 HB2 LEU 60 HB2 LEU 60 -4.813 6.636 -2.471 112 HB3 LEU 60 HB3 LEU 60 -4.378 7.446 -0.972 113 HG LEU 60 HG LEU 60 -2.586 5.672 -0.628 114 HD11 LEU 60 HD11 LEU 60 -3.244 4.954 -3.534 115 HD12 LEU 60 HD12 LEU 60 -3.591 3.917 -2.146 116 HD13 LEU 60 HD13 LEU 60 -1.914 4.301 -2.554 117 HD21 LEU 60 HD21 LEU 60 -2.084 7.894 -1.591 118 HD22 LEU 60 HD22 LEU 60 -2.504 7.303 -3.212 119 HD23 LEU 60 HD23 LEU 60 -1.093 6.642 -2.373 120 H GLY 61 H GLY 61 -6.329 7.182 1.087 121 HA2 GLY 61 HA2 GLY 61 -4.605 6.445 3.364 122 HA3 GLY 61 HA3 GLY 61 -5.871 7.705 3.297 123 H GLY 62 H GLY 62 -8.016 6.041 2.321 124 HA2 GLY 62 HA2 GLY 62 -8.899 4.689 4.734 125 HA3 GLY 62 HA3 GLY 62 -9.681 4.647 3.128 126 H MET 63 H MET 63 -7.702 3.529 1.566 127 HA MET 63 HA MET 63 -7.696 0.735 2.133 128 HB2 MET 63 HB2 MET 63 -7.373 1.988 -0.099 129 HB3 MET 63 HB3 MET 63 -5.698 2.217 0.387 130 HG2 MET 63 HG2 MET 63 -5.730 0.296 -1.004 131 HG3 MET 63 HG3 MET 63 -5.539 -0.319 0.624 132 HE1 MET 63 HE1 MET 63 -8.893 0.872 -1.329 133 HE2 MET 63 HE2 MET 63 -7.787 0.097 -2.492 134 HE3 MET 63 HE3 MET 63 -9.314 -0.692 -2.045 135 H ALA 64 H ALA 64 -5.460 3.243 3.228 136 HA ALA 64 HA ALA 64 -3.529 1.284 4.275 137 HB1 ALA 64 HB1 ALA 64 -2.849 3.449 3.235 138 HB2 ALA 64 HB2 ALA 64 -3.652 4.305 4.574 139 HB3 ALA 64 HB3 ALA 64 -2.261 3.250 4.898 140 H SER 65 H SER 65 -6.543 2.030 5.399 141 HA SER 65 HA SER 65 -5.869 2.386 8.232 142 HB2 SER 65 HB2 SER 65 -7.943 3.278 7.031 143 HB3 SER 65 HB3 SER 65 -8.553 1.619 7.066 144 HG SER 65 HG SER 65 -9.255 2.834 8.864 145 H GLY 66 H GLY 66 -6.997 0.850 9.789 146 HA2 GLY 66 HA2 GLY 66 -7.248 -1.235 10.783 147 HA3 GLY 66 HA3 GLY 66 -7.639 -1.769 9.142 148 HA PRO 67 HA PRO 67 -4.038 -4.158 10.674 149 HB2 PRO 67 HB2 PRO 67 -4.800 -6.665 9.889 150 HB3 PRO 67 HB3 PRO 67 -5.441 -5.845 11.342 151 HG2 PRO 67 HG2 PRO 67 -6.717 -6.037 8.598 152 HG3 PRO 67 HG3 PRO 67 -7.474 -6.302 10.198 153 HD2 PRO 67 HD2 PRO 67 -7.674 -3.932 8.849 154 HD3 PRO 67 HD3 PRO 67 -7.593 -3.998 10.635 155 H CYS 68 H CYS 68 -5.395 -5.108 7.375 156 HA CYS 68 HA CYS 68 -2.814 -5.750 6.361 157 HB2 CYS 68 HB2 CYS 68 -5.205 -4.810 4.746 158 HB3 CYS 68 HB3 CYS 68 -3.816 -5.697 4.149 159 H GLY 69 H GLY 69 -4.166 -2.634 6.979 160 HA2 GLY 69 HA2 GLY 69 -3.065 -0.982 5.035 161 HA3 GLY 69 HA3 GLY 69 -3.358 -0.528 6.724 162 H GLU 70 H GLU 70 -1.293 -2.475 7.804 163 HA GLU 70 HA GLU 70 1.051 -0.864 7.443 164 HB2 GLU 70 HB2 GLU 70 2.222 -2.366 8.824 165 HB3 GLU 70 HB3 GLU 70 0.607 -2.141 9.495 166 HG2 GLU 70 HG2 GLU 70 -0.067 -4.373 8.606 167 HG3 GLU 70 HG3 GLU 70 1.548 -4.586 7.945 168 H GLN 71 H GLN 71 -0.071 -3.760 5.757 169 HA GLN 71 HA GLN 71 2.459 -4.203 4.335 170 HB2 GLN 71 HB2 GLN 71 -0.308 -5.217 3.551 171 HB3 GLN 71 HB3 GLN 71 1.254 -5.864 3.085 172 HG2 GLN 71 HG2 GLN 71 -0.035 -5.999 5.843 173 HG3 GLN 71 HG3 GLN 71 0.171 -7.328 4.705 174 HE21 GLN 71 HE21 GLN 71 1.135 -7.395 7.446 175 HE22 GLN 71 HE22 GLN 71 2.884 -7.492 7.288 176 H PHE 72 H PHE 72 -0.723 -2.661 3.676 177 HA PHE 72 HA PHE 72 -0.143 -1.869 0.997 178 HB2 PHE 72 HB2 PHE 72 -2.401 -1.977 2.168 179 HB3 PHE 72 HB3 PHE 72 -1.983 -0.473 2.980 180 HD1 PHE 72 HD2 PHE 72 -2.334 -2.049 -0.396 181 HD2 PHE 72 HD1 PHE 72 -2.380 1.612 1.866 182 HE1 PHE 72 HE2 PHE 72 -3.081 -0.819 -2.420 183 HE2 PHE 72 HE1 PHE 72 -3.138 2.846 -0.138 184 HZ PHE 72 HZ PHE 72 -3.484 1.628 -2.299 185 H LYS 73 H LYS 73 0.386 -0.152 4.096 186 HA LYS 73 HA LYS 73 1.571 2.247 3.158 187 HB2 LYS 73 HB2 LYS 73 2.034 0.517 5.617 188 HB3 LYS 73 HB3 LYS 73 2.981 1.962 5.352 189 HG2 LYS 73 HG2 LYS 73 -0.058 2.016 5.563 190 HG3 LYS 73 HG3 LYS 73 1.043 2.170 6.935 191 HD2 LYS 73 HD2 LYS 73 2.096 4.161 5.709 192 HD3 LYS 73 HD3 LYS 73 0.771 3.987 4.548 193 HE2 LYS 73 HE2 LYS 73 0.134 5.724 6.053 194 HE3 LYS 73 HE3 LYS 73 -0.883 4.322 6.395 195 HZ1 LYS 73 HZ1 LYS 73 -0.030 5.385 8.408 196 HZ2 LYS 73 HZ2 LYS 73 1.522 5.116 7.959 197 HZ3 LYS 73 HZ3 LYS 73 0.539 3.846 8.300 198 H SER 74 H SER 74 3.275 -0.845 3.976 199 HA SER 74 HA SER 74 5.796 0.207 3.048 200 HB2 SER 74 HB2 SER 74 5.058 -1.919 4.613 201 HB3 SER 74 HB3 SER 74 5.554 -2.747 3.125 202 HG SER 74 HG SER 74 7.238 -2.278 4.755 203 H ALA 75 H ALA 75 3.497 -2.058 1.431 204 HA ALA 75 HA ALA 75 4.956 -2.555 -0.911 205 HB1 ALA 75 HB1 ALA 75 2.921 -3.770 -0.170 206 HB2 ALA 75 HB2 ALA 75 1.941 -2.324 -0.466 207 HB3 ALA 75 HB3 ALA 75 2.716 -3.157 -1.821 208 H PHE 76 H PHE 76 2.471 0.070 -0.445 209 HA PHE 76 HA PHE 76 2.978 1.056 -3.121 210 HB2 PHE 76 HB2 PHE 76 0.866 1.267 -1.444 211 HB3 PHE 76 HB3 PHE 76 1.629 2.813 -1.119 212 HD1 PHE 76 HD1 PHE 76 0.155 0.611 -3.718 213 HD2 PHE 76 HD2 PHE 76 1.585 4.580 -2.844 214 HE1 PHE 76 HE1 PHE 76 -0.882 1.442 -5.813 215 HE2 PHE 76 HE2 PHE 76 0.552 5.412 -4.942 216 HZ PHE 76 HZ PHE 76 -0.685 3.848 -6.426 217 H SER 77 H SER 77 4.171 2.000 0.130 218 HA SER 77 HA SER 77 5.660 4.327 -0.666 219 HB2 SER 77 HB2 SER 77 5.346 3.810 1.691 220 HB3 SER 77 HB3 SER 77 6.183 2.260 1.496 221 HG SER 77 HG SER 77 7.359 4.851 1.275 222 H CYS 78 H CYS 78 6.861 0.920 -0.344 223 HA CYS 78 HA CYS 78 9.394 1.333 -1.511 224 HB2 CYS 78 HB2 CYS 78 8.678 -0.654 -0.257 225 HB3 CYS 78 HB3 CYS 78 7.562 -1.106 -1.541 226 H PHE 79 H PHE 79 6.306 0.519 -3.189 227 HA PHE 79 HA PHE 79 7.499 0.335 -5.779 228 HB2 PHE 79 HB2 PHE 79 5.334 -0.631 -5.443 229 HB3 PHE 79 HB3 PHE 79 4.661 0.898 -4.873 230 HD1 PHE 79 HD1 PHE 79 6.537 -0.324 -7.938 231 HD2 PHE 79 HD2 PHE 79 3.312 2.082 -6.380 232 HE1 PHE 79 HE1 PHE 79 5.983 0.430 -10.234 233 HE2 PHE 79 HE2 PHE 79 2.794 2.860 -8.677 234 HZ PHE 79 HZ PHE 79 4.135 2.030 -10.608 235 H HIS 80 H HIS 80 6.248 3.214 -4.012 236 HA HIS 80 HA HIS 80 6.587 4.911 -6.380 237 HB2 HIS 80 HB2 HIS 80 5.029 5.527 -4.546 238 HB3 HIS 80 HB3 HIS 80 6.389 5.679 -3.433 239 HD1 HIS 80 HD1 HIS 80 5.674 7.140 -6.977 240 HD2 HIS 80 HD2 HIS 80 7.168 8.205 -3.197 241 HE1 HIS 80 HE1 HIS 80 6.419 9.551 -7.155 242 H TYR 81 H TYR 81 8.555 4.289 -3.436 243 HA TYR 81 HA TYR 81 10.603 6.160 -4.127 244 HB2 TYR 81 HB2 TYR 81 10.376 3.850 -2.172 245 HB3 TYR 81 HB3 TYR 81 11.867 4.751 -2.357 246 HD1 TYR 81 HD2 TYR 81 8.271 6.028 -2.158 247 HD2 TYR 81 HD1 TYR 81 12.211 5.954 -0.421 248 HE1 TYR 81 HE2 TYR 81 7.554 7.697 -0.479 249 HE2 TYR 81 HE1 TYR 81 11.486 7.601 1.276 250 HH TYR 81 HH TYR 81 9.747 8.870 2.083 251 H SER 82 H SER 82 10.177 2.807 -5.107 252 HA SER 82 HA SER 82 12.923 2.514 -6.107 253 HB2 SER 82 HB2 SER 82 11.603 0.606 -5.314 254 HB3 SER 82 HB3 SER 82 10.407 0.881 -6.587 255 HG SER 82 HG SER 82 12.741 -0.516 -6.747 256 H THR 83 H THR 83 10.196 4.175 -7.374 257 HA THR 83 HA THR 83 9.473 4.756 -9.482 258 HB THR 83 HB THR 83 10.985 6.349 -10.549 259 HG1 THR 83 HG1 THR 83 12.932 6.805 -9.449 260 HG21 THR 83 HG21 THR 83 9.580 6.964 -8.574 261 HG22 THR 83 HG22 THR 83 11.053 7.930 -8.725 262 HG23 THR 83 HG23 THR 83 10.972 6.629 -7.520 263 H GLU 84 H GLU 84 9.252 2.507 -10.184 264 HA GLU 84 HA GLU 84 11.064 1.782 -12.460 265 HB2 GLU 84 HB2 GLU 84 9.233 0.061 -10.754 266 HB3 GLU 84 HB3 GLU 84 10.134 -0.524 -12.147 267 HG2 GLU 84 HG2 GLU 84 11.446 0.692 -9.697 268 HG3 GLU 84 HG3 GLU 84 11.130 -1.030 -9.910 269 H GLU 85 H GLU 85 8.147 0.077 -12.468 270 HA GLU 85 HA GLU 85 6.779 1.729 -14.480 271 HB2 GLU 85 HB2 GLU 85 6.875 -0.300 -16.059 272 HB3 GLU 85 HB3 GLU 85 8.249 0.796 -15.991 273 HG2 GLU 85 HG2 GLU 85 9.586 -0.744 -14.717 274 HG3 GLU 85 HG3 GLU 85 8.242 -1.847 -14.471 275 H ILE 86 H ILE 86 6.661 -1.767 -13.975 276 HA ILE 86 HA ILE 86 3.818 -1.785 -13.540 277 HB ILE 86 HB ILE 86 5.769 -4.063 -13.035 278 HG12 ILE 86 HG12 ILE 86 4.511 -3.342 -15.718 279 HG13 ILE 86 HG13 ILE 86 6.208 -3.109 -15.303 280 HG21 ILE 86 HG21 ILE 86 2.830 -4.043 -13.859 281 HG22 ILE 86 HG22 ILE 86 3.823 -5.494 -13.627 282 HG23 ILE 86 HG23 ILE 86 3.462 -4.474 -12.254 283 HD11 ILE 86 HD11 ILE 86 6.200 -5.070 -16.529 284 HD12 ILE 86 HD12 ILE 86 6.371 -5.603 -14.854 285 HD13 ILE 86 HD13 ILE 86 4.796 -5.748 -15.678 286 H LYS 87 H LYS 87 2.623 -2.122 -11.696 287 HA LYS 87 HA LYS 87 3.490 -1.118 -9.227 288 HB2 LYS 87 HB2 LYS 87 1.307 -3.207 -9.513 289 HB3 LYS 87 HB3 LYS 87 1.472 -1.972 -8.271 290 HG2 LYS 87 HG2 LYS 87 0.707 -1.607 -11.176 291 HG3 LYS 87 HG3 LYS 87 -0.300 -1.354 -9.752 292 HD2 LYS 87 HD2 LYS 87 1.131 0.562 -9.074 293 HD3 LYS 87 HD3 LYS 87 2.110 0.354 -10.541 294 HE2 LYS 87 HE2 LYS 87 -0.867 0.975 -10.466 295 HE3 LYS 87 HE3 LYS 87 0.414 2.148 -10.777 296 HZ1 LYS 87 HZ1 LYS 87 0.999 0.932 -12.775 297 HZ2 LYS 87 HZ2 LYS 87 -0.600 1.313 -12.820 298 HZ3 LYS 87 HZ3 LYS 87 -0.150 -0.221 -12.482 299 H GLY 88 H GLY 88 4.887 -1.809 -7.794 300 HA2 GLY 88 HA2 GLY 88 5.933 -3.192 -6.255 301 HA3 GLY 88 HA3 GLY 88 4.827 -4.500 -6.744 302 H SER 89 H SER 89 6.591 -3.367 -9.475 303 HA SER 89 HA SER 89 7.786 -5.787 -10.012 304 HB2 SER 89 HB2 SER 89 7.525 -3.875 -11.598 305 HB3 SER 89 HB3 SER 89 8.885 -3.061 -10.799 306 HG SER 89 HG SER 89 9.982 -5.231 -11.290 307 H ASP 90 H ASP 90 9.100 -3.531 -7.722 308 HA ASP 90 HA ASP 90 11.648 -5.091 -7.497 309 HB2 ASP 90 HB2 ASP 90 11.261 -2.426 -8.060 310 HB3 ASP 90 HB3 ASP 90 11.276 -2.354 -6.310 311 H CYS 91 H CYS 91 8.702 -4.665 -6.087 312 HA CYS 91 HA CYS 91 9.557 -5.037 -3.231 313 HB2 CYS 91 HB2 CYS 91 7.211 -3.451 -4.329 314 HB3 CYS 91 HB3 CYS 91 7.727 -3.520 -2.647 315 H VAL 92 H VAL 92 8.368 -6.835 -5.516 316 HA VAL 92 HA VAL 92 5.755 -7.404 -5.246 317 HB VAL 92 HB VAL 92 7.202 -8.302 -6.982 318 HG11 VAL 92 HG11 VAL 92 8.042 -10.490 -5.033 319 HG12 VAL 92 HG12 VAL 92 8.463 -10.362 -6.750 320 HG13 VAL 92 HG13 VAL 92 9.078 -9.162 -5.606 321 HG21 VAL 92 HG21 VAL 92 5.568 -10.527 -5.689 322 HG22 VAL 92 HG22 VAL 92 4.906 -9.199 -6.669 323 HG23 VAL 92 HG23 VAL 92 6.017 -10.370 -7.397 324 H ASP 93 H ASP 93 8.200 -8.902 -3.096 325 HA ASP 93 HA ASP 93 6.844 -10.692 -1.577 326 HB2 ASP 93 HB2 ASP 93 8.656 -8.425 -0.621 327 HB3 ASP 93 HB3 ASP 93 8.293 -9.888 0.284 328 H GLN 94 H GLN 94 6.549 -7.147 -1.275 329 HA GLN 94 HA GLN 94 4.886 -7.295 1.153 330 HB2 GLN 94 HB2 GLN 94 5.869 -5.002 -0.603 331 HB3 GLN 94 HB3 GLN 94 4.907 -4.785 0.858 332 HG2 GLN 94 HG2 GLN 94 6.667 -5.063 2.224 333 HG3 GLN 94 HG3 GLN 94 7.194 -6.532 1.430 334 HE21 GLN 94 HE21 GLN 94 8.765 -6.350 -0.387 335 HE22 GLN 94 HE22 GLN 94 9.728 -4.891 -0.452 336 H PHE 95 H PHE 95 4.364 -6.704 -2.324 337 HA PHE 95 HA PHE 95 1.525 -6.149 -2.093 338 HB2 PHE 95 HB2 PHE 95 3.309 -7.079 -4.379 339 HB3 PHE 95 HB3 PHE 95 1.571 -6.883 -4.549 340 HD1 PHE 95 HD2 PHE 95 4.735 -5.051 -3.847 341 HD2 PHE 95 HD1 PHE 95 0.511 -4.718 -4.643 342 HE1 PHE 95 HE2 PHE 95 4.975 -2.597 -4.117 343 HE2 PHE 95 HE1 PHE 95 0.761 -2.273 -4.964 344 HZ PHE 95 HZ PHE 95 2.994 -1.206 -4.688 345 H ARG 96 H ARG 96 3.449 -9.130 -2.394 346 HA ARG 96 HA ARG 96 1.124 -10.833 -2.672 347 HB2 ARG 96 HB2 ARG 96 3.535 -11.204 -3.453 348 HB3 ARG 96 HB3 ARG 96 3.898 -11.735 -1.817 349 HG2 ARG 96 HG2 ARG 96 2.719 -13.721 -2.086 350 HG3 ARG 96 HG3 ARG 96 1.487 -12.988 -3.134 351 HD2 ARG 96 HD2 ARG 96 3.016 -12.914 -5.016 352 HD3 ARG 96 HD3 ARG 96 4.353 -13.507 -4.017 353 HE ARG 96 HE ARG 96 2.407 -15.472 -3.795 354 HH11 ARG 96 HH11 ARG 96 3.882 -13.989 -6.726 355 HH12 ARG 96 HH12 ARG 96 4.216 -15.570 -7.390 356 HH21 ARG 96 HH21 ARG 96 2.751 -17.427 -4.928 357 HH22 ARG 96 HH22 ARG 96 3.552 -17.374 -6.488 358 H ALA 97 H ALA 97 3.211 -9.905 0.147 359 HA ALA 97 HA ALA 97 1.760 -11.219 2.198 360 HB1 ALA 97 HB1 ALA 97 2.738 -9.479 3.643 361 HB2 ALA 97 HB2 ALA 97 3.938 -10.074 2.486 362 HB3 ALA 97 HB3 ALA 97 3.148 -8.498 2.232 363 H MET 98 H MET 98 1.135 -8.016 0.692 364 HA MET 98 HA MET 98 -1.243 -7.407 2.152 365 HB2 MET 98 HB2 MET 98 0.126 -5.816 0.781 366 HB3 MET 98 HB3 MET 98 -0.446 -6.598 -0.679 367 HG2 MET 98 HG2 MET 98 -2.812 -5.959 0.710 368 HG3 MET 98 HG3 MET 98 -1.740 -4.610 1.037 369 HE1 MET 98 HE1 MET 98 -3.827 -6.595 -1.472 370 HE2 MET 98 HE2 MET 98 -3.441 -5.888 -3.054 371 HE3 MET 98 HE3 MET 98 -2.247 -6.925 -2.242 372 H GLN 99 H GLN 99 -0.879 -9.185 -1.005 373 HA GLN 99 HA GLN 99 -3.697 -9.581 -1.309 374 HB2 GLN 99 HB2 GLN 99 -1.309 -11.078 -2.447 375 HB3 GLN 99 HB3 GLN 99 -2.977 -11.579 -2.742 376 HG2 GLN 99 HG2 GLN 99 -3.487 -9.268 -3.626 377 HG3 GLN 99 HG3 GLN 99 -1.768 -8.888 -3.490 378 HE21 GLN 99 HE21 GLN 99 -1.583 -8.551 -5.839 379 HE22 GLN 99 HE22 GLN 99 -1.623 -9.948 -6.888 380 H GLU 100 H GLU 100 -1.316 -11.799 0.365 381 HA GLU 100 HA GLU 100 -3.280 -13.782 0.879 382 HB2 GLU 100 HB2 GLU 100 -1.940 -14.714 2.567 383 HB3 GLU 100 HB3 GLU 100 -0.907 -14.264 1.231 384 HG2 GLU 100 HG2 GLU 100 0.335 -12.828 2.489 385 HG3 GLU 100 HG3 GLU 100 -1.033 -12.250 3.430 386 H CYS 101 H CYS 101 -2.492 -10.868 2.692 387 HA CYS 101 HA CYS 101 -4.276 -11.276 4.883 388 HB2 CYS 101 HB2 CYS 101 -2.335 -9.706 4.747 389 HB3 CYS 101 HB3 CYS 101 -3.246 -8.663 3.662 390 H MET 102 H MET 102 -4.767 -9.447 1.798 391 HA MET 102 HA MET 102 -7.458 -8.720 2.626 392 HB2 MET 102 HB2 MET 102 -5.996 -8.344 -0.010 393 HB3 MET 102 HB3 MET 102 -7.584 -7.654 0.387 394 HG2 MET 102 HG2 MET 102 -6.564 -6.510 2.381 395 HG3 MET 102 HG3 MET 102 -4.997 -7.158 1.927 396 HE1 MET 102 HE1 MET 102 -8.017 -5.343 0.180 397 HE2 MET 102 HE2 MET 102 -7.511 -4.334 1.563 398 HE3 MET 102 HE3 MET 102 -7.280 -3.745 -0.092 399 H GLN 103 H GLN 103 -6.291 -11.486 0.761 400 HA GLN 103 HA GLN 103 -9.058 -12.185 0.001 401 HB2 GLN 103 HB2 GLN 103 -8.178 -14.179 -0.937 402 HB3 GLN 103 HB3 GLN 103 -7.143 -12.828 -1.403 403 HG2 GLN 103 HG2 GLN 103 -5.632 -14.544 -0.913 404 HG3 GLN 103 HG3 GLN 103 -5.589 -13.543 0.521 405 HE21 GLN 103 HE21 GLN 103 -5.302 -14.843 2.303 406 HE22 GLN 103 HE22 GLN 103 -6.053 -16.443 2.452 407 H LYS 104 H LYS 104 -7.119 -12.579 2.890 408 HA LYS 104 HA LYS 104 -8.968 -14.588 4.018 409 HB2 LYS 104 HB2 LYS 104 -6.431 -13.191 4.832 410 HB3 LYS 104 HB3 LYS 104 -7.539 -13.550 6.132 411 HG2 LYS 104 HG2 LYS 104 -7.196 -15.873 4.341 412 HG3 LYS 104 HG3 LYS 104 -5.660 -15.306 4.987 413 HD2 LYS 104 HD2 LYS 104 -8.095 -15.875 6.734 414 HD3 LYS 104 HD3 LYS 104 -6.868 -17.084 6.335 415 HE2 LYS 104 HE2 LYS 104 -5.098 -15.674 7.320 416 HE3 LYS 104 HE3 LYS 104 -6.287 -14.426 7.730 417 HZ1 LYS 104 HZ1 LYS 104 -6.389 -17.206 8.758 418 HZ2 LYS 104 HZ2 LYS 104 -7.332 -15.938 9.251 419 HZ3 LYS 104 HZ3 LYS 104 -5.745 -15.951 9.599 420 H TYR 105 H TYR 105 -8.471 -11.094 4.125 421 HA TYR 105 HA TYR 105 -10.729 -10.784 6.056 422 HB2 TYR 105 HB2 TYR 105 -8.400 -8.997 5.303 423 HB3 TYR 105 HB3 TYR 105 -9.675 -8.571 6.426 424 HD1 TYR 105 HD2 TYR 105 -9.489 -11.728 7.576 425 HD2 TYR 105 HD1 TYR 105 -6.969 -8.255 7.179 426 HE1 TYR 105 HE2 TYR 105 -8.185 -12.431 9.549 427 HE2 TYR 105 HE1 TYR 105 -5.629 -8.987 9.138 428 HH TYR 105 HH TYR 105 -5.431 -10.561 10.854 429 HA PRO 106 HA PRO 106 -12.632 -9.021 2.267 430 HB2 PRO 106 HB2 PRO 106 -15.211 -9.881 2.615 431 HB3 PRO 106 HB3 PRO 106 -13.877 -10.917 1.968 432 HG2 PRO 106 HG2 PRO 106 -14.918 -10.798 4.820 433 HG3 PRO 106 HG3 PRO 106 -14.614 -12.241 3.809 434 HD2 PRO 106 HD2 PRO 106 -12.787 -11.351 5.615 435 HD3 PRO 106 HD3 PRO 106 -12.289 -12.041 4.055 436 H ASP 107 H ASP 107 -14.443 -8.934 5.410 437 HA ASP 107 HA ASP 107 -14.649 -6.008 5.414 438 HB2 ASP 107 HB2 ASP 107 -16.266 -6.719 3.622 439 HB3 ASP 107 HB3 ASP 107 -17.113 -7.697 4.814 440 H LEU 108 H LEU 108 -13.950 -8.371 7.304 441 HA LEU 108 HA LEU 108 -15.967 -8.377 9.362 442 HB2 LEU 108 HB2 LEU 108 -14.483 -9.697 10.646 443 HB3 LEU 108 HB3 LEU 108 -14.509 -10.262 9.012 444 HG LEU 108 HG LEU 108 -12.342 -10.534 9.936 445 HD11 LEU 108 HD11 LEU 108 -12.475 -9.935 7.524 446 HD12 LEU 108 HD12 LEU 108 -10.940 -9.519 8.292 447 HD13 LEU 108 HD13 LEU 108 -12.107 -8.239 7.940 448 HD21 LEU 108 HD21 LEU 108 -12.387 -8.707 11.634 449 HD22 LEU 108 HD22 LEU 108 -12.039 -7.525 10.348 450 HD23 LEU 108 HD23 LEU 108 -10.879 -8.807 10.721 451 H TYR 109 H TYR 109 -14.050 -5.920 8.527 452 HA TYR 109 HA TYR 109 -14.061 -4.532 11.178 453 HB2 TYR 109 HB2 TYR 109 -12.899 -2.715 9.597 454 HB3 TYR 109 HB3 TYR 109 -11.967 -4.115 10.259 455 HD1 TYR 109 HD2 TYR 109 -13.478 -2.733 7.113 456 HD2 TYR 109 HD1 TYR 109 -11.096 -5.811 8.867 457 HE1 TYR 109 HE2 TYR 109 -12.801 -3.493 4.852 458 HE2 TYR 109 HE1 TYR 109 -10.409 -6.570 6.617 459 HH TYR 109 HH TYR 109 -10.758 -6.373 4.356 Start of MODEL 15 1 H GLY 45 H GLY 45 -0.112 15.194 -6.427 2 HA2 GLY 45 HA2 GLY 45 -3.013 14.712 -6.327 3 HA3 GLY 45 HA3 GLY 45 -1.838 13.725 -7.198 4 H LEU 46 H LEU 46 -0.289 12.440 -5.886 5 HA LEU 46 HA LEU 46 -1.549 11.709 -3.269 6 HB2 LEU 46 HB2 LEU 46 -1.324 9.504 -3.764 7 HB3 LEU 46 HB3 LEU 46 -1.908 10.212 -5.256 8 HG LEU 46 HG LEU 46 0.943 9.266 -4.674 9 HD11 LEU 46 HD11 LEU 46 -1.286 8.099 -6.390 10 HD12 LEU 46 HD12 LEU 46 -0.665 7.433 -4.860 11 HD13 LEU 46 HD13 LEU 46 0.371 7.474 -6.295 12 HD21 LEU 46 HD21 LEU 46 1.322 9.538 -7.124 13 HD22 LEU 46 HD22 LEU 46 1.067 11.080 -6.301 14 HD23 LEU 46 HD23 LEU 46 -0.250 10.356 -7.256 15 H ILE 47 H ILE 47 1.225 13.195 -4.022 16 HA ILE 47 HA ILE 47 2.851 11.775 -1.938 17 HB ILE 47 HB ILE 47 3.787 13.489 -4.268 18 HG12 ILE 47 HG12 ILE 47 3.089 11.358 -5.165 19 HG13 ILE 47 HG13 ILE 47 4.831 11.461 -5.183 20 HG21 ILE 47 HG21 ILE 47 5.332 13.793 -2.484 21 HG22 ILE 47 HG22 ILE 47 5.355 12.062 -2.091 22 HG23 ILE 47 HG23 ILE 47 6.081 12.658 -3.596 23 HD11 ILE 47 HD11 ILE 47 3.169 9.871 -3.181 24 HD12 ILE 47 HD12 ILE 47 4.111 9.222 -4.529 25 HD13 ILE 47 HD13 ILE 47 4.945 9.986 -3.166 26 H LEU 48 H LEU 48 3.549 12.938 -0.239 27 HA LEU 48 HA LEU 48 2.451 15.585 0.354 28 HB2 LEU 48 HB2 LEU 48 4.295 13.641 1.844 29 HB3 LEU 48 HB3 LEU 48 3.663 15.125 2.552 30 HG LEU 48 HG LEU 48 1.918 12.805 1.629 31 HD11 LEU 48 HD11 LEU 48 3.354 12.140 3.501 32 HD12 LEU 48 HD12 LEU 48 1.675 12.312 4.040 33 HD13 LEU 48 HD13 LEU 48 2.860 13.582 4.415 34 HD21 LEU 48 HD21 LEU 48 0.691 14.938 1.620 35 HD22 LEU 48 HD22 LEU 48 1.274 15.296 3.260 36 HD23 LEU 48 HD23 LEU 48 0.163 13.940 2.983 37 HA PRO 49 HA PRO 49 6.021 17.852 -0.882 38 HB2 PRO 49 HB2 PRO 49 6.083 20.004 0.844 39 HB3 PRO 49 HB3 PRO 49 4.818 19.742 -0.392 40 HG2 PRO 49 HG2 PRO 49 4.736 18.971 2.547 41 HG3 PRO 49 HG3 PRO 49 3.519 19.909 1.617 42 HD2 PRO 49 HD2 PRO 49 3.217 17.256 2.012 43 HD3 PRO 49 HD3 PRO 49 2.810 17.979 0.430 44 H ASN 50 H ASN 50 6.477 15.727 1.371 45 HA ASN 50 HA ASN 50 9.311 16.510 1.864 46 HB2 ASN 50 HB2 ASN 50 9.282 15.174 3.908 47 HB3 ASN 50 HB3 ASN 50 8.133 16.503 3.997 48 HD21 ASN 50 HD21 ASN 50 6.175 15.912 4.864 49 HD22 ASN 50 HD22 ASN 50 5.484 14.300 4.744 50 H GLY 51 H GLY 51 7.234 14.354 0.242 51 HA2 GLY 51 HA2 GLY 51 8.221 12.913 -1.421 52 HA3 GLY 51 HA3 GLY 51 9.438 12.376 -0.241 53 H ASN 52 H ASN 52 7.099 12.103 1.807 54 HA ASN 52 HA ASN 52 6.446 9.352 1.154 55 HB2 ASN 52 HB2 ASN 52 7.064 10.358 3.421 56 HB3 ASN 52 HB3 ASN 52 5.410 10.962 3.501 57 HD21 ASN 52 HD21 ASN 52 6.442 9.213 5.484 58 HD22 ASN 52 HD22 ASN 52 5.651 7.660 5.286 59 H ILE 53 H ILE 53 3.996 8.657 1.676 60 HA ILE 53 HA ILE 53 2.428 9.876 -0.533 61 HB ILE 53 HB ILE 53 2.246 7.257 0.979 62 HG12 ILE 53 HG12 ILE 53 3.032 7.895 -1.907 63 HG13 ILE 53 HG13 ILE 53 4.153 7.511 -0.610 64 HG21 ILE 53 HG21 ILE 53 -0.048 7.897 0.302 65 HG22 ILE 53 HG22 ILE 53 0.516 8.182 -1.366 66 HG23 ILE 53 HG23 ILE 53 0.512 6.555 -0.656 67 HD11 ILE 53 HD11 ILE 53 3.909 5.559 -1.918 68 HD12 ILE 53 HD12 ILE 53 3.067 5.253 -0.382 69 HD13 ILE 53 HD13 ILE 53 2.146 5.631 -1.865 70 H ASN 54 H ASN 54 0.337 10.544 -0.427 71 HA ASN 54 HA ASN 54 -0.498 11.819 2.049 72 HB2 ASN 54 HB2 ASN 54 -0.612 12.839 -0.246 73 HB3 ASN 54 HB3 ASN 54 -1.883 11.692 -0.669 74 HD21 ASN 54 HD21 ASN 54 -3.926 11.808 0.750 75 HD22 ASN 54 HD22 ASN 54 -4.361 13.403 1.366 76 H TRP 55 H TRP 55 -0.801 9.835 3.338 77 HA TRP 55 HA TRP 55 -2.863 7.975 2.712 78 HB2 TRP 55 HB2 TRP 55 -1.636 8.634 5.400 79 HB3 TRP 55 HB3 TRP 55 -2.507 7.161 4.977 80 HD1 TRP 55 HD1 TRP 55 0.881 8.331 5.351 81 HE1 TRP 55 HE1 TRP 55 2.603 6.928 4.093 82 HE3 TRP 55 HE3 TRP 55 -2.273 5.769 2.213 83 HZ2 TRP 55 HZ2 TRP 55 2.607 4.786 2.145 84 HZ3 TRP 55 HZ3 TRP 55 -1.372 4.043 0.692 85 HH2 TRP 55 HH2 TRP 55 1.054 3.525 0.651 86 H ASN 56 H ASN 56 -3.336 11.191 3.909 87 HA ASN 56 HA ASN 56 -5.930 10.661 5.127 88 HB2 ASN 56 HB2 ASN 56 -4.176 12.675 5.396 89 HB3 ASN 56 HB3 ASN 56 -5.181 13.406 4.156 90 HD21 ASN 56 HD21 ASN 56 -7.786 12.837 4.868 91 HD22 ASN 56 HD22 ASN 56 -8.094 13.331 6.517 92 H CYS 57 H CYS 57 -5.335 9.939 2.166 93 HA CYS 57 HA CYS 57 -7.093 11.476 0.463 94 HB2 CYS 57 HB2 CYS 57 -5.280 9.073 0.324 95 HB3 CYS 57 HB3 CYS 57 -6.597 9.101 -0.846 96 HG CYS 57 HG CYS 57 -4.313 10.080 -1.873 97 HA PRO 58 HA PRO 58 -10.878 8.984 0.679 98 HB2 PRO 58 HB2 PRO 58 -11.734 8.781 -1.910 99 HB3 PRO 58 HB3 PRO 58 -11.746 10.309 -0.995 100 HG2 PRO 58 HG2 PRO 58 -9.636 9.367 -2.958 101 HG3 PRO 58 HG3 PRO 58 -10.451 10.961 -2.885 102 HD2 PRO 58 HD2 PRO 58 -8.000 10.537 -1.783 103 HD3 PRO 58 HD3 PRO 58 -9.188 11.626 -1.019 104 H CYS 59 H CYS 59 -10.208 7.425 -2.438 105 HA CYS 59 HA CYS 59 -10.327 4.860 -1.385 106 HB2 CYS 59 HB2 CYS 59 -8.842 5.635 -3.952 107 HB3 CYS 59 HB3 CYS 59 -9.679 4.112 -3.594 108 HG CYS 59 HG CYS 59 -11.276 5.188 -5.227 109 H LEU 60 H LEU 60 -7.371 6.652 -2.205 110 HA LEU 60 HA LEU 60 -5.489 4.672 -1.281 111 HB2 LEU 60 HB2 LEU 60 -4.944 6.329 -2.948 112 HB3 LEU 60 HB3 LEU 60 -5.326 7.651 -1.867 113 HG LEU 60 HG LEU 60 -3.356 7.086 -0.453 114 HD11 LEU 60 HD11 LEU 60 -2.828 4.986 -2.616 115 HD12 LEU 60 HD12 LEU 60 -3.129 4.703 -0.885 116 HD13 LEU 60 HD13 LEU 60 -1.645 5.511 -1.396 117 HD21 LEU 60 HD21 LEU 60 -3.189 8.739 -2.261 118 HD22 LEU 60 HD22 LEU 60 -2.786 7.457 -3.423 119 HD23 LEU 60 HD23 LEU 60 -1.678 7.842 -2.093 120 H GLY 61 H GLY 61 -7.525 6.796 0.609 121 HA2 GLY 61 HA2 GLY 61 -5.746 6.604 2.981 122 HA3 GLY 61 HA3 GLY 61 -7.365 7.343 2.928 123 H GLY 62 H GLY 62 -8.867 5.273 1.807 124 HA2 GLY 62 HA2 GLY 62 -9.352 3.583 4.062 125 HA3 GLY 62 HA3 GLY 62 -10.037 3.370 2.431 126 H MET 63 H MET 63 -7.740 2.863 0.920 127 HA MET 63 HA MET 63 -7.122 0.144 1.492 128 HB2 MET 63 HB2 MET 63 -5.652 2.175 -0.229 129 HB3 MET 63 HB3 MET 63 -5.338 0.440 -0.265 130 HG2 MET 63 HG2 MET 63 -8.177 1.307 -0.738 131 HG3 MET 63 HG3 MET 63 -6.992 1.705 -1.962 132 HE1 MET 63 HE1 MET 63 -8.732 -1.153 0.014 133 HE2 MET 63 HE2 MET 63 -8.120 -2.627 -0.773 134 HE3 MET 63 HE3 MET 63 -7.043 -1.670 0.256 135 H ALA 64 H ALA 64 -5.671 2.957 2.918 136 HA ALA 64 HA ALA 64 -3.396 1.352 3.994 137 HB1 ALA 64 HB1 ALA 64 -2.860 3.422 2.770 138 HB2 ALA 64 HB2 ALA 64 -3.872 4.361 3.896 139 HB3 ALA 64 HB3 ALA 64 -2.401 3.545 4.481 140 H SER 65 H SER 65 -6.402 1.518 4.885 141 HA SER 65 HA SER 65 -6.085 2.361 7.718 142 HB2 SER 65 HB2 SER 65 -8.066 3.066 6.287 143 HB3 SER 65 HB3 SER 65 -8.579 1.368 6.320 144 HG SER 65 HG SER 65 -9.591 2.259 8.009 145 H GLY 66 H GLY 66 -7.164 0.957 9.342 146 HA2 GLY 66 HA2 GLY 66 -7.444 -1.006 10.526 147 HA3 GLY 66 HA3 GLY 66 -7.783 -1.709 8.942 148 HA PRO 67 HA PRO 67 -4.080 -3.898 10.645 149 HB2 PRO 67 HB2 PRO 67 -4.854 -6.472 10.099 150 HB3 PRO 67 HB3 PRO 67 -5.383 -5.567 11.551 151 HG2 PRO 67 HG2 PRO 67 -6.895 -5.987 8.961 152 HG3 PRO 67 HG3 PRO 67 -7.498 -6.123 10.640 153 HD2 PRO 67 HD2 PRO 67 -7.857 -3.876 9.099 154 HD3 PRO 67 HD3 PRO 67 -7.657 -3.790 10.873 155 H CYS 68 H CYS 68 -5.765 -5.045 7.593 156 HA CYS 68 HA CYS 68 -3.330 -5.825 6.378 157 HB2 CYS 68 HB2 CYS 68 -5.931 -4.965 5.039 158 HB3 CYS 68 HB3 CYS 68 -4.586 -5.789 4.244 159 H GLY 69 H GLY 69 -4.595 -2.585 6.680 160 HA2 GLY 69 HA2 GLY 69 -3.376 -1.298 4.532 161 HA3 GLY 69 HA3 GLY 69 -3.721 -0.563 6.108 162 H GLU 70 H GLU 70 -1.693 -2.597 7.379 163 HA GLU 70 HA GLU 70 0.688 -0.989 7.055 164 HB2 GLU 70 HB2 GLU 70 1.758 -2.438 8.555 165 HB3 GLU 70 HB3 GLU 70 0.103 -2.256 9.109 166 HG2 GLU 70 HG2 GLU 70 -0.376 -4.538 8.027 167 HG3 GLU 70 HG3 GLU 70 1.365 -4.686 7.786 168 H GLN 71 H GLN 71 -0.474 -3.884 5.388 169 HA GLN 71 HA GLN 71 2.065 -4.420 3.997 170 HB2 GLN 71 HB2 GLN 71 -0.741 -5.311 3.239 171 HB3 GLN 71 HB3 GLN 71 0.778 -5.997 2.710 172 HG2 GLN 71 HG2 GLN 71 -0.399 -6.116 5.524 173 HG3 GLN 71 HG3 GLN 71 -0.303 -7.449 4.362 174 HE21 GLN 71 HE21 GLN 71 0.861 -7.190 7.162 175 HE22 GLN 71 HE22 GLN 71 2.572 -7.528 6.882 176 H PHE 72 H PHE 72 -1.042 -2.745 3.227 177 HA PHE 72 HA PHE 72 -0.225 -2.077 0.544 178 HB2 PHE 72 HB2 PHE 72 -2.607 -2.193 1.395 179 HB3 PHE 72 HB3 PHE 72 -2.312 -0.673 2.237 180 HD1 PHE 72 HD2 PHE 72 -2.299 -2.302 -1.135 181 HD2 PHE 72 HD1 PHE 72 -2.427 1.423 1.015 182 HE1 PHE 72 HE2 PHE 72 -2.794 -1.110 -3.250 183 HE2 PHE 72 HE1 PHE 72 -2.865 2.612 -1.112 184 HZ PHE 72 HZ PHE 72 -3.068 1.362 -3.247 185 H LYS 73 H LYS 73 0.014 -0.333 3.639 186 HA LYS 73 HA LYS 73 1.128 2.145 2.869 187 HB2 LYS 73 HB2 LYS 73 1.519 0.240 5.196 188 HB3 LYS 73 HB3 LYS 73 2.573 1.619 5.067 189 HG2 LYS 73 HG2 LYS 73 -0.436 2.024 5.044 190 HG3 LYS 73 HG3 LYS 73 0.446 1.746 6.560 191 HD2 LYS 73 HD2 LYS 73 1.965 3.661 6.002 192 HD3 LYS 73 HD3 LYS 73 1.021 3.918 4.544 193 HE2 LYS 73 HE2 LYS 73 0.327 5.537 6.139 194 HE3 LYS 73 HE3 LYS 73 -1.005 4.393 5.968 195 HZ1 LYS 73 HZ1 LYS 73 0.918 3.829 8.091 196 HZ2 LYS 73 HZ2 LYS 73 -0.741 3.715 8.098 197 HZ3 LYS 73 HZ3 LYS 73 -0.031 5.169 8.297 198 H SER 74 H SER 74 2.899 -0.879 3.627 199 HA SER 74 HA SER 74 5.452 0.134 2.759 200 HB2 SER 74 HB2 SER 74 4.848 -1.778 4.412 201 HB3 SER 74 HB3 SER 74 4.736 -2.799 2.973 202 HG SER 74 HG SER 74 6.861 -2.853 3.815 203 H ALA 75 H ALA 75 3.045 -1.945 1.039 204 HA ALA 75 HA ALA 75 4.559 -2.497 -1.264 205 HB1 ALA 75 HB1 ALA 75 2.333 -2.925 -2.288 206 HB2 ALA 75 HB2 ALA 75 2.411 -3.591 -0.646 207 HB3 ALA 75 HB3 ALA 75 1.550 -2.072 -0.951 208 H PHE 76 H PHE 76 2.164 0.183 -0.919 209 HA PHE 76 HA PHE 76 2.906 1.308 -3.499 210 HB2 PHE 76 HB2 PHE 76 0.830 1.720 -1.531 211 HB3 PHE 76 HB3 PHE 76 1.587 3.257 -1.853 212 HD1 PHE 76 HD1 PHE 76 0.253 0.240 -3.669 213 HD2 PHE 76 HD2 PHE 76 0.854 4.512 -3.741 214 HE1 PHE 76 HE1 PHE 76 -1.038 0.396 -5.782 215 HE2 PHE 76 HE2 PHE 76 -0.414 4.652 -5.849 216 HZ PHE 76 HZ PHE 76 -1.378 2.611 -6.881 217 H SER 77 H SER 77 3.936 1.977 -0.146 218 HA SER 77 HA SER 77 5.526 4.323 -0.613 219 HB2 SER 77 HB2 SER 77 4.884 3.501 1.573 220 HB3 SER 77 HB3 SER 77 5.793 2.011 1.323 221 HG SER 77 HG SER 77 6.825 3.502 2.618 222 H CYS 78 H CYS 78 6.598 0.873 -0.545 223 HA CYS 78 HA CYS 78 9.252 1.332 -1.468 224 HB2 CYS 78 HB2 CYS 78 8.493 -0.710 -0.379 225 HB3 CYS 78 HB3 CYS 78 7.403 -1.081 -1.700 226 H PHE 79 H PHE 79 6.281 0.573 -3.343 227 HA PHE 79 HA PHE 79 7.484 0.486 -5.920 228 HB2 PHE 79 HB2 PHE 79 5.285 -0.349 -5.691 229 HB3 PHE 79 HB3 PHE 79 4.716 1.111 -4.893 230 HD1 PHE 79 HD2 PHE 79 6.339 0.258 -8.215 231 HD2 PHE 79 HD1 PHE 79 3.299 2.503 -6.110 232 HE1 PHE 79 HE2 PHE 79 5.527 1.195 -10.363 233 HE2 PHE 79 HE1 PHE 79 2.514 3.439 -8.254 234 HZ PHE 79 HZ PHE 79 3.623 2.786 -10.390 235 H HIS 80 H HIS 80 6.013 3.307 -4.192 236 HA HIS 80 HA HIS 80 6.874 5.125 -6.327 237 HB2 HIS 80 HB2 HIS 80 5.694 5.531 -3.571 238 HB3 HIS 80 HB3 HIS 80 6.321 6.871 -4.498 239 HD1 HIS 80 HD1 HIS 80 5.203 7.053 -7.142 240 HD2 HIS 80 HD2 HIS 80 3.176 4.913 -4.148 241 HE1 HIS 80 HE1 HIS 80 2.811 6.758 -7.957 242 H TYR 81 H TYR 81 8.643 3.868 -3.516 243 HA TYR 81 HA TYR 81 10.756 5.893 -3.897 244 HB2 TYR 81 HB2 TYR 81 10.338 3.524 -2.078 245 HB3 TYR 81 HB3 TYR 81 11.939 4.190 -2.300 246 HD1 TYR 81 HD1 TYR 81 8.640 6.056 -1.960 247 HD2 TYR 81 HD2 TYR 81 12.508 5.169 -0.272 248 HE1 TYR 81 HE1 TYR 81 8.243 7.722 -0.175 249 HE2 TYR 81 HE2 TYR 81 12.087 6.798 1.549 250 HH TYR 81 HH TYR 81 10.540 8.271 2.521 251 H SER 82 H SER 82 10.046 2.757 -5.276 252 HA SER 82 HA SER 82 12.722 2.580 -6.563 253 HB2 SER 82 HB2 SER 82 11.434 0.523 -5.918 254 HB3 SER 82 HB3 SER 82 10.235 0.936 -7.171 255 HG SER 82 HG SER 82 11.808 -0.475 -8.082 256 H THR 83 H THR 83 9.440 3.556 -7.546 257 HA THR 83 HA THR 83 8.604 4.809 -9.209 258 HB THR 83 HB THR 83 9.829 6.492 -10.324 259 HG1 THR 83 HG1 THR 83 12.044 4.928 -9.623 260 HG21 THR 83 HG21 THR 83 11.003 6.181 -7.531 261 HG22 THR 83 HG22 THR 83 9.435 6.918 -7.938 262 HG23 THR 83 HG23 THR 83 10.941 7.666 -8.501 263 H GLU 84 H GLU 84 11.116 2.731 -10.254 264 HA GLU 84 HA GLU 84 11.661 2.308 -12.565 265 HB2 GLU 84 HB2 GLU 84 10.261 0.398 -10.789 266 HB3 GLU 84 HB3 GLU 84 10.390 -0.152 -12.451 267 HG2 GLU 84 HG2 GLU 84 12.833 0.995 -11.077 268 HG3 GLU 84 HG3 GLU 84 12.288 -0.635 -10.727 269 H GLU 85 H GLU 85 8.154 1.691 -12.249 270 HA GLU 85 HA GLU 85 6.963 2.542 -14.444 271 HB2 GLU 85 HB2 GLU 85 8.725 0.329 -15.334 272 HB3 GLU 85 HB3 GLU 85 7.074 0.260 -15.923 273 HG2 GLU 85 HG2 GLU 85 7.160 2.300 -17.027 274 HG3 GLU 85 HG3 GLU 85 8.646 2.842 -16.238 275 H ILE 86 H ILE 86 7.440 -0.903 -13.615 276 HA ILE 86 HA ILE 86 4.541 -1.292 -13.561 277 HB ILE 86 HB ILE 86 6.736 -3.308 -12.974 278 HG12 ILE 86 HG12 ILE 86 7.182 -2.453 -15.178 279 HG13 ILE 86 HG13 ILE 86 6.520 -4.068 -15.296 280 HG21 ILE 86 HG21 ILE 86 4.625 -4.148 -12.180 281 HG22 ILE 86 HG22 ILE 86 3.813 -3.674 -13.686 282 HG23 ILE 86 HG23 ILE 86 5.016 -4.976 -13.688 283 HD11 ILE 86 HD11 ILE 86 4.310 -3.128 -15.951 284 HD12 ILE 86 HD12 ILE 86 4.975 -1.479 -15.825 285 HD13 ILE 86 HD13 ILE 86 5.610 -2.605 -17.030 286 H LYS 87 H LYS 87 3.201 -1.695 -11.963 287 HA LYS 87 HA LYS 87 3.455 -0.830 -9.315 288 HB2 LYS 87 HB2 LYS 87 1.754 -3.045 -10.546 289 HB3 LYS 87 HB3 LYS 87 1.511 -2.452 -8.918 290 HG2 LYS 87 HG2 LYS 87 1.357 -0.589 -11.322 291 HG3 LYS 87 HG3 LYS 87 -0.006 -1.560 -10.777 292 HD2 LYS 87 HD2 LYS 87 0.112 -0.510 -8.529 293 HD3 LYS 87 HD3 LYS 87 1.469 0.493 -9.071 294 HE2 LYS 87 HE2 LYS 87 -0.595 1.770 -9.088 295 HE3 LYS 87 HE3 LYS 87 0.026 1.603 -10.734 296 HZ1 LYS 87 HZ1 LYS 87 -1.661 0.018 -11.231 297 HZ2 LYS 87 HZ2 LYS 87 -2.447 1.202 -10.431 298 HZ3 LYS 87 HZ3 LYS 87 -2.072 -0.199 -9.663 299 H GLY 88 H GLY 88 5.235 -1.387 -8.186 300 HA2 GLY 88 HA2 GLY 88 6.294 -2.559 -6.498 301 HA3 GLY 88 HA3 GLY 88 5.146 -3.931 -6.790 302 H SER 89 H SER 89 7.201 -2.795 -9.465 303 HA SER 89 HA SER 89 8.104 -5.259 -10.262 304 HB2 SER 89 HB2 SER 89 9.991 -3.973 -11.354 305 HB3 SER 89 HB3 SER 89 8.378 -3.291 -11.609 306 HG SER 89 HG SER 89 10.410 -2.320 -9.836 307 H ASP 90 H ASP 90 9.694 -3.366 -7.734 308 HA ASP 90 HA ASP 90 11.762 -5.494 -7.331 309 HB2 ASP 90 HB2 ASP 90 11.693 -2.662 -6.213 310 HB3 ASP 90 HB3 ASP 90 13.076 -3.754 -6.299 311 H CYS 91 H CYS 91 8.818 -4.567 -6.191 312 HA CYS 91 HA CYS 91 9.334 -4.904 -3.252 313 HB2 CYS 91 HB2 CYS 91 7.154 -3.343 -4.698 314 HB3 CYS 91 HB3 CYS 91 7.468 -3.332 -2.958 315 H VAL 92 H VAL 92 8.168 -6.692 -5.666 316 HA VAL 92 HA VAL 92 5.570 -7.299 -5.472 317 HB VAL 92 HB VAL 92 7.715 -9.446 -5.805 318 HG11 VAL 92 HG11 VAL 92 6.000 -10.559 -7.262 319 HG12 VAL 92 HG12 VAL 92 5.496 -10.484 -5.587 320 HG13 VAL 92 HG13 VAL 92 4.807 -9.344 -6.766 321 HG21 VAL 92 HG21 VAL 92 6.447 -7.612 -7.891 322 HG22 VAL 92 HG22 VAL 92 8.146 -7.611 -7.364 323 HG23 VAL 92 HG23 VAL 92 7.504 -8.993 -8.242 324 H ASP 93 H ASP 93 7.948 -8.541 -3.182 325 HA ASP 93 HA ASP 93 6.697 -10.337 -1.502 326 HB2 ASP 93 HB2 ASP 93 8.957 -9.638 -1.206 327 HB3 ASP 93 HB3 ASP 93 8.520 -7.938 -1.118 328 H GLN 94 H GLN 94 6.583 -6.820 -0.876 329 HA GLN 94 HA GLN 94 4.515 -6.853 1.046 330 HB2 GLN 94 HB2 GLN 94 5.352 -4.629 -0.888 331 HB3 GLN 94 HB3 GLN 94 4.247 -4.448 0.457 332 HG2 GLN 94 HG2 GLN 94 6.114 -3.600 1.345 333 HG3 GLN 94 HG3 GLN 94 6.130 -5.235 2.005 334 HE21 GLN 94 HE21 GLN 94 7.312 -5.205 -1.348 335 HE22 GLN 94 HE22 GLN 94 8.997 -5.141 -0.808 336 H PHE 95 H PHE 95 4.197 -6.457 -2.520 337 HA PHE 95 HA PHE 95 1.372 -5.840 -2.426 338 HB2 PHE 95 HB2 PHE 95 3.225 -6.804 -4.638 339 HB3 PHE 95 HB3 PHE 95 1.502 -6.595 -4.890 340 HD1 PHE 95 HD1 PHE 95 4.630 -4.773 -4.046 341 HD2 PHE 95 HD2 PHE 95 0.473 -4.432 -5.127 342 HE1 PHE 95 HE1 PHE 95 4.919 -2.338 -4.407 343 HE2 PHE 95 HE2 PHE 95 0.773 -1.995 -5.518 344 HZ PHE 95 HZ PHE 95 2.990 -0.944 -5.152 345 H ARG 96 H ARG 96 3.166 -8.883 -2.551 346 HA ARG 96 HA ARG 96 0.803 -10.548 -2.948 347 HB2 ARG 96 HB2 ARG 96 3.211 -11.070 -3.610 348 HB3 ARG 96 HB3 ARG 96 3.528 -11.393 -1.896 349 HG2 ARG 96 HG2 ARG 96 1.721 -13.169 -1.956 350 HG3 ARG 96 HG3 ARG 96 1.484 -12.803 -3.683 351 HD2 ARG 96 HD2 ARG 96 4.011 -13.188 -3.938 352 HD3 ARG 96 HD3 ARG 96 3.967 -13.918 -2.326 353 HE ARG 96 HE ARG 96 2.097 -15.424 -3.468 354 HH11 ARG 96 HH11 ARG 96 5.179 -14.336 -4.910 355 HH12 ARG 96 HH12 ARG 96 5.403 -15.855 -5.722 356 HH21 ARG 96 HH21 ARG 96 2.456 -17.337 -4.818 357 HH22 ARG 96 HH22 ARG 96 4.003 -17.434 -5.631 358 H ALA 97 H ALA 97 2.843 -9.604 -0.153 359 HA ALA 97 HA ALA 97 1.512 -10.994 1.908 360 HB1 ALA 97 HB1 ALA 97 3.700 -9.851 2.107 361 HB2 ALA 97 HB2 ALA 97 2.873 -8.276 2.027 362 HB3 ALA 97 HB3 ALA 97 2.563 -9.382 3.382 363 H MET 98 H MET 98 0.801 -7.748 0.526 364 HA MET 98 HA MET 98 -1.531 -7.180 2.019 365 HB2 MET 98 HB2 MET 98 -0.296 -5.667 0.391 366 HB3 MET 98 HB3 MET 98 -1.100 -6.521 -0.923 367 HG2 MET 98 HG2 MET 98 -3.132 -5.787 0.984 368 HG3 MET 98 HG3 MET 98 -2.066 -4.409 0.816 369 HE1 MET 98 HE1 MET 98 -3.293 -7.125 -1.907 370 HE2 MET 98 HE2 MET 98 -4.660 -6.760 -0.813 371 HE3 MET 98 HE3 MET 98 -4.707 -6.233 -2.508 372 H GLN 99 H GLN 99 -1.275 -9.342 -0.876 373 HA GLN 99 HA GLN 99 -4.194 -9.653 -0.921 374 HB2 GLN 99 HB2 GLN 99 -1.977 -11.075 -2.440 375 HB3 GLN 99 HB3 GLN 99 -3.657 -11.615 -2.445 376 HG2 GLN 99 HG2 GLN 99 -4.206 -9.100 -3.050 377 HG3 GLN 99 HG3 GLN 99 -2.528 -9.067 -3.600 378 HE21 GLN 99 HE21 GLN 99 -5.526 -9.289 -4.900 379 HE22 GLN 99 HE22 GLN 99 -5.221 -10.544 -6.092 380 H GLU 100 H GLU 100 -1.510 -11.697 0.487 381 HA GLU 100 HA GLU 100 -3.383 -13.678 1.240 382 HB2 GLU 100 HB2 GLU 100 -1.847 -14.685 2.649 383 HB3 GLU 100 HB3 GLU 100 -1.039 -14.138 1.174 384 HG2 GLU 100 HG2 GLU 100 0.001 -12.315 2.389 385 HG3 GLU 100 HG3 GLU 100 -0.877 -12.709 3.865 386 H CYS 101 H CYS 101 -2.523 -10.665 2.928 387 HA CYS 101 HA CYS 101 -4.149 -11.121 5.251 388 HB2 CYS 101 HB2 CYS 101 -2.453 -9.302 4.868 389 HB3 CYS 101 HB3 CYS 101 -3.636 -8.458 3.872 390 H MET 102 H MET 102 -5.097 -9.844 2.011 391 HA MET 102 HA MET 102 -7.810 -9.312 2.952 392 HB2 MET 102 HB2 MET 102 -6.624 -9.205 0.159 393 HB3 MET 102 HB3 MET 102 -8.277 -8.758 0.587 394 HG2 MET 102 HG2 MET 102 -7.003 -7.270 2.447 395 HG3 MET 102 HG3 MET 102 -5.713 -7.355 1.259 396 HE1 MET 102 HE1 MET 102 -9.650 -6.964 1.336 397 HE2 MET 102 HE2 MET 102 -8.945 -5.767 2.433 398 HE3 MET 102 HE3 MET 102 -9.803 -5.235 0.976 399 H GLN 103 H GLN 103 -6.406 -12.267 1.969 400 HA GLN 103 HA GLN 103 -9.120 -13.429 1.466 401 HB2 GLN 103 HB2 GLN 103 -7.963 -15.571 1.110 402 HB3 GLN 103 HB3 GLN 103 -7.493 -14.321 -0.029 403 HG2 GLN 103 HG2 GLN 103 -5.412 -13.955 1.110 404 HG3 GLN 103 HG3 GLN 103 -5.843 -15.074 2.416 405 HE21 GLN 103 HE21 GLN 103 -5.697 -17.404 1.996 406 HE22 GLN 103 HE22 GLN 103 -4.779 -17.944 0.587 407 H LYS 104 H LYS 104 -6.762 -13.031 4.054 408 HA LYS 104 HA LYS 104 -8.168 -14.842 5.891 409 HB2 LYS 104 HB2 LYS 104 -6.088 -12.638 6.293 410 HB3 LYS 104 HB3 LYS 104 -6.638 -13.683 7.577 411 HG2 LYS 104 HG2 LYS 104 -5.423 -14.930 5.086 412 HG3 LYS 104 HG3 LYS 104 -4.376 -14.134 6.259 413 HD2 LYS 104 HD2 LYS 104 -4.531 -16.575 6.603 414 HD3 LYS 104 HD3 LYS 104 -5.041 -15.642 8.020 415 HE2 LYS 104 HE2 LYS 104 -7.395 -15.965 7.435 416 HE3 LYS 104 HE3 LYS 104 -6.955 -16.820 5.951 417 HZ1 LYS 104 HZ1 LYS 104 -7.591 -18.193 7.891 418 HZ2 LYS 104 HZ2 LYS 104 -6.151 -17.795 8.629 419 HZ3 LYS 104 HZ3 LYS 104 -6.166 -18.629 7.216 420 H TYR 105 H TYR 105 -8.148 -11.345 5.250 421 HA TYR 105 HA TYR 105 -10.596 -11.056 6.961 422 HB2 TYR 105 HB2 TYR 105 -8.430 -9.005 6.482 423 HB3 TYR 105 HB3 TYR 105 -9.835 -8.833 7.520 424 HD1 TYR 105 HD2 TYR 105 -9.756 -11.497 9.013 425 HD2 TYR 105 HD1 TYR 105 -6.645 -8.714 7.949 426 HE1 TYR 105 HE2 TYR 105 -8.377 -12.305 10.918 427 HE2 TYR 105 HE1 TYR 105 -5.285 -9.485 9.876 428 HH TYR 105 HH TYR 105 -5.184 -10.892 11.685 429 HA PRO 106 HA PRO 106 -12.037 -9.253 3.035 430 HB2 PRO 106 HB2 PRO 106 -14.647 -10.010 3.123 431 HB3 PRO 106 HB3 PRO 106 -13.308 -11.141 2.689 432 HG2 PRO 106 HG2 PRO 106 -14.738 -10.866 5.351 433 HG3 PRO 106 HG3 PRO 106 -14.267 -12.346 4.482 434 HD2 PRO 106 HD2 PRO 106 -12.780 -11.222 6.528 435 HD3 PRO 106 HD3 PRO 106 -12.076 -12.216 5.233 436 H ASP 107 H ASP 107 -14.284 -9.102 5.866 437 HA ASP 107 HA ASP 107 -14.335 -6.196 5.998 438 HB2 ASP 107 HB2 ASP 107 -15.565 -6.764 3.851 439 HB3 ASP 107 HB3 ASP 107 -16.747 -7.626 4.819 440 H LEU 108 H LEU 108 -13.717 -7.620 8.039 441 HA LEU 108 HA LEU 108 -16.103 -7.613 9.823 442 HB2 LEU 108 HB2 LEU 108 -15.071 -9.161 11.280 443 HB3 LEU 108 HB3 LEU 108 -15.077 -9.817 9.668 444 HG LEU 108 HG LEU 108 -13.108 -10.492 10.750 445 HD11 LEU 108 HD11 LEU 108 -12.167 -8.314 8.851 446 HD12 LEU 108 HD12 LEU 108 -12.855 -9.881 8.347 447 HD13 LEU 108 HD13 LEU 108 -11.349 -9.821 9.279 448 HD21 LEU 108 HD21 LEU 108 -11.414 -9.147 11.741 449 HD22 LEU 108 HD22 LEU 108 -12.958 -8.682 12.471 450 HD23 LEU 108 HD23 LEU 108 -12.191 -7.639 11.245 451 H TYR 109 H TYR 109 -13.671 -5.744 8.895 452 HA TYR 109 HA TYR 109 -13.197 -4.301 11.471 453 HB2 TYR 109 HB2 TYR 109 -11.324 -3.234 10.007 454 HB3 TYR 109 HB3 TYR 109 -11.120 -4.860 10.619 455 HD1 TYR 109 HD2 TYR 109 -13.108 -3.904 7.547 456 HD2 TYR 109 HD1 TYR 109 -9.545 -5.742 9.126 457 HE1 TYR 109 HE2 TYR 109 -12.588 -4.807 5.303 458 HE2 TYR 109 HE1 TYR 109 -8.963 -6.565 6.833 459 HH TYR 109 HH TYR 109 -11.250 -6.270 4.154 Start of MODEL 16 1 H GLY 45 H GLY 45 0.940 14.807 -7.248 2 HA2 GLY 45 HA2 GLY 45 -0.533 15.494 -5.418 3 HA3 GLY 45 HA3 GLY 45 -1.882 14.868 -6.389 4 H LEU 46 H LEU 46 -1.830 13.642 -4.140 5 HA LEU 46 HA LEU 46 -1.832 11.713 -3.046 6 HB2 LEU 46 HB2 LEU 46 -1.930 9.765 -4.112 7 HB3 LEU 46 HB3 LEU 46 -2.014 10.803 -5.501 8 HG LEU 46 HG LEU 46 0.640 10.362 -5.589 9 HD11 LEU 46 HD11 LEU 46 1.253 8.121 -4.870 10 HD12 LEU 46 HD12 LEU 46 -0.366 7.841 -4.209 11 HD13 LEU 46 HD13 LEU 46 0.710 9.034 -3.457 12 HD21 LEU 46 HD21 LEU 46 -1.454 8.324 -6.438 13 HD22 LEU 46 HD22 LEU 46 0.199 8.453 -7.081 14 HD23 LEU 46 HD23 LEU 46 -0.956 9.765 -7.352 15 H ILE 47 H ILE 47 1.271 12.418 -4.514 16 HA ILE 47 HA ILE 47 2.748 11.605 -2.066 17 HB ILE 47 HB ILE 47 3.700 12.938 -4.632 18 HG12 ILE 47 HG12 ILE 47 2.934 10.698 -5.168 19 HG13 ILE 47 HG13 ILE 47 4.680 10.779 -5.250 20 HG21 ILE 47 HG21 ILE 47 5.260 13.477 -2.906 21 HG22 ILE 47 HG22 ILE 47 5.245 11.821 -2.269 22 HG23 ILE 47 HG23 ILE 47 5.980 12.176 -3.846 23 HD11 ILE 47 HD11 ILE 47 4.867 9.617 -3.062 24 HD12 ILE 47 HD12 ILE 47 3.092 9.568 -2.943 25 HD13 ILE 47 HD13 ILE 47 3.919 8.676 -4.226 26 H LEU 48 H LEU 48 3.475 12.939 -0.546 27 HA LEU 48 HA LEU 48 2.310 15.586 -0.202 28 HB2 LEU 48 HB2 LEU 48 4.294 13.848 1.343 29 HB3 LEU 48 HB3 LEU 48 3.701 15.378 1.949 30 HG LEU 48 HG LEU 48 1.813 13.095 1.287 31 HD11 LEU 48 HD11 LEU 48 3.406 12.336 2.990 32 HD12 LEU 48 HD12 LEU 48 1.809 12.603 3.703 33 HD13 LEU 48 HD13 LEU 48 3.101 13.797 3.957 34 HD21 LEU 48 HD21 LEU 48 1.546 15.642 2.954 35 HD22 LEU 48 HD22 LEU 48 0.335 14.358 2.865 36 HD23 LEU 48 HD23 LEU 48 0.725 15.294 1.414 37 HA PRO 49 HA PRO 49 5.855 18.020 -1.531 38 HB2 PRO 49 HB2 PRO 49 6.139 19.977 0.392 39 HB3 PRO 49 HB3 PRO 49 4.828 19.948 -0.824 40 HG2 PRO 49 HG2 PRO 49 4.739 18.917 2.029 41 HG3 PRO 49 HG3 PRO 49 3.572 20.007 1.213 42 HD2 PRO 49 HD2 PRO 49 3.086 17.364 1.398 43 HD3 PRO 49 HD3 PRO 49 2.721 18.233 -0.119 44 H ASN 50 H ASN 50 6.033 16.124 1.323 45 HA ASN 50 HA ASN 50 8.992 16.391 1.465 46 HB2 ASN 50 HB2 ASN 50 8.808 15.440 3.701 47 HB3 ASN 50 HB3 ASN 50 7.812 16.880 3.556 48 HD21 ASN 50 HD21 ASN 50 7.789 13.472 4.296 49 HD22 ASN 50 HD22 ASN 50 6.056 13.385 4.569 50 H GLY 51 H GLY 51 6.959 14.558 -0.291 51 HA2 GLY 51 HA2 GLY 51 7.686 12.846 -1.667 52 HA3 GLY 51 HA3 GLY 51 9.027 12.490 -0.560 53 H ASN 52 H ASN 52 6.677 12.182 1.599 54 HA ASN 52 HA ASN 52 6.194 9.330 1.075 55 HB2 ASN 52 HB2 ASN 52 6.856 10.258 3.307 56 HB3 ASN 52 HB3 ASN 52 5.275 11.035 3.410 57 HD21 ASN 52 HD21 ASN 52 5.622 9.519 5.516 58 HD22 ASN 52 HD22 ASN 52 4.814 7.970 5.335 59 H ILE 53 H ILE 53 3.728 8.600 1.646 60 HA ILE 53 HA ILE 53 2.055 9.896 -0.447 61 HB ILE 53 HB ILE 53 1.834 7.278 1.048 62 HG12 ILE 53 HG12 ILE 53 2.288 7.606 -1.937 63 HG13 ILE 53 HG13 ILE 53 3.666 7.662 -0.838 64 HG21 ILE 53 HG21 ILE 53 -0.425 8.002 0.500 65 HG22 ILE 53 HG22 ILE 53 0.066 8.437 -1.152 66 HG23 ILE 53 HG23 ILE 53 0.025 6.742 -0.642 67 HD11 ILE 53 HD11 ILE 53 3.172 5.432 0.008 68 HD12 ILE 53 HD12 ILE 53 1.734 5.328 -1.025 69 HD13 ILE 53 HD13 ILE 53 3.346 5.418 -1.759 70 H ASN 54 H ASN 54 0.105 10.876 -0.088 71 HA ASN 54 HA ASN 54 -0.519 11.752 2.603 72 HB2 ASN 54 HB2 ASN 54 -0.776 13.246 0.639 73 HB3 ASN 54 HB3 ASN 54 -2.067 12.183 0.021 74 HD21 ASN 54 HD21 ASN 54 -4.190 12.705 0.766 75 HD22 ASN 54 HD22 ASN 54 -4.473 13.806 2.115 76 H TRP 55 H TRP 55 -0.925 9.828 3.688 77 HA TRP 55 HA TRP 55 -3.032 8.021 3.034 78 HB2 TRP 55 HB2 TRP 55 -1.745 8.584 5.719 79 HB3 TRP 55 HB3 TRP 55 -2.668 7.157 5.298 80 HD1 TRP 55 HD1 TRP 55 0.669 7.879 5.931 81 HE1 TRP 55 HE1 TRP 55 2.341 6.432 4.663 82 HE3 TRP 55 HE3 TRP 55 -2.388 6.133 2.167 83 HZ2 TRP 55 HZ2 TRP 55 2.320 4.547 2.493 84 HZ3 TRP 55 HZ3 TRP 55 -1.510 4.512 0.537 85 HH2 TRP 55 HH2 TRP 55 0.819 3.669 0.707 86 H ASN 56 H ASN 56 -3.856 10.967 3.226 87 HA ASN 56 HA ASN 56 -6.428 10.479 4.657 88 HB2 ASN 56 HB2 ASN 56 -4.814 13.038 4.323 89 HB3 ASN 56 HB3 ASN 56 -6.519 13.035 4.796 90 HD21 ASN 56 HD21 ASN 56 -7.153 12.165 6.871 91 HD22 ASN 56 HD22 ASN 56 -5.931 11.849 8.093 92 H CYS 57 H CYS 57 -5.244 10.513 1.517 93 HA CYS 57 HA CYS 57 -7.291 11.955 0.117 94 HB2 CYS 57 HB2 CYS 57 -5.777 9.410 -0.590 95 HB3 CYS 57 HB3 CYS 57 -6.760 10.321 -1.745 96 HG CYS 57 HG CYS 57 -5.326 12.583 -1.583 97 HA PRO 58 HA PRO 58 -10.749 9.422 1.299 98 HB2 PRO 58 HB2 PRO 58 -12.758 10.407 -0.218 99 HB3 PRO 58 HB3 PRO 58 -11.875 11.421 0.955 100 HG2 PRO 58 HG2 PRO 58 -11.328 11.173 -2.032 101 HG3 PRO 58 HG3 PRO 58 -11.604 12.673 -1.084 102 HD2 PRO 58 HD2 PRO 58 -9.091 11.753 -1.607 103 HD3 PRO 58 HD3 PRO 58 -9.496 12.528 -0.046 104 H CYS 59 H CYS 59 -9.156 7.815 0.049 105 HA CYS 59 HA CYS 59 -10.643 5.640 -0.802 106 HB2 CYS 59 HB2 CYS 59 -10.956 6.942 -2.957 107 HB3 CYS 59 HB3 CYS 59 -9.218 6.854 -3.231 108 HG CYS 59 HG CYS 59 -9.293 4.691 -4.321 109 H LEU 60 H LEU 60 -7.517 6.850 -2.054 110 HA LEU 60 HA LEU 60 -5.926 4.673 -1.305 111 HB2 LEU 60 HB2 LEU 60 -5.406 6.518 -2.935 112 HB3 LEU 60 HB3 LEU 60 -5.188 7.615 -1.582 113 HG LEU 60 HG LEU 60 -3.266 6.184 -0.779 114 HD11 LEU 60 HD11 LEU 60 -3.561 4.865 -3.528 115 HD12 LEU 60 HD12 LEU 60 -3.908 4.077 -1.979 116 HD13 LEU 60 HD13 LEU 60 -2.258 4.593 -2.351 117 HD21 LEU 60 HD21 LEU 60 -3.061 7.364 -3.585 118 HD22 LEU 60 HD22 LEU 60 -1.707 7.021 -2.484 119 HD23 LEU 60 HD23 LEU 60 -2.903 8.249 -2.048 120 H GLY 61 H GLY 61 -6.965 7.322 0.851 121 HA2 GLY 61 HA2 GLY 61 -5.003 6.696 2.930 122 HA3 GLY 61 HA3 GLY 61 -6.449 7.736 3.075 123 H GLY 62 H GLY 62 -8.251 5.531 2.133 124 HA2 GLY 62 HA2 GLY 62 -8.701 4.206 4.724 125 HA3 GLY 62 HA3 GLY 62 -9.677 4.039 3.241 126 H MET 63 H MET 63 -7.596 3.296 1.462 127 HA MET 63 HA MET 63 -7.276 0.484 1.793 128 HB2 MET 63 HB2 MET 63 -5.551 2.498 0.273 129 HB3 MET 63 HB3 MET 63 -5.450 0.744 0.086 130 HG2 MET 63 HG2 MET 63 -7.671 0.610 -0.801 131 HG3 MET 63 HG3 MET 63 -8.003 2.309 -0.439 132 HE1 MET 63 HE1 MET 63 -8.965 2.298 -2.837 133 HE2 MET 63 HE2 MET 63 -7.999 2.164 -4.327 134 HE3 MET 63 HE3 MET 63 -8.328 0.722 -3.349 135 H ALA 64 H ALA 64 -5.214 3.124 2.935 136 HA ALA 64 HA ALA 64 -3.127 1.303 3.912 137 HB1 ALA 64 HB1 ALA 64 -2.656 3.451 2.769 138 HB2 ALA 64 HB2 ALA 64 -3.470 4.333 4.076 139 HB3 ALA 64 HB3 ALA 64 -1.985 3.427 4.407 140 H SER 65 H SER 65 -6.052 1.642 5.243 141 HA SER 65 HA SER 65 -5.117 2.260 8.009 142 HB2 SER 65 HB2 SER 65 -6.973 3.617 6.731 143 HB3 SER 65 HB3 SER 65 -8.011 2.268 7.202 144 HG SER 65 HG SER 65 -7.887 4.097 8.679 145 H GLY 66 H GLY 66 -6.426 1.115 9.752 146 HA2 GLY 66 HA2 GLY 66 -7.083 -0.872 10.800 147 HA3 GLY 66 HA3 GLY 66 -7.553 -1.456 9.195 148 HA PRO 67 HA PRO 67 -4.112 -4.024 10.887 149 HB2 PRO 67 HB2 PRO 67 -5.049 -6.517 10.207 150 HB3 PRO 67 HB3 PRO 67 -5.588 -5.605 11.643 151 HG2 PRO 67 HG2 PRO 67 -6.965 -5.808 8.954 152 HG3 PRO 67 HG3 PRO 67 -7.683 -5.954 10.587 153 HD2 PRO 67 HD2 PRO 67 -7.776 -3.634 9.145 154 HD3 PRO 67 HD3 PRO 67 -7.617 -3.626 10.930 155 H CYS 68 H CYS 68 -5.479 -5.449 7.807 156 HA CYS 68 HA CYS 68 -2.923 -5.949 6.711 157 HB2 CYS 68 HB2 CYS 68 -5.521 -5.440 5.216 158 HB3 CYS 68 HB3 CYS 68 -4.078 -6.189 4.545 159 H GLY 69 H GLY 69 -4.468 -2.844 6.953 160 HA2 GLY 69 HA2 GLY 69 -3.489 -1.421 4.769 161 HA3 GLY 69 HA3 GLY 69 -3.722 -0.755 6.391 162 H GLU 70 H GLU 70 -1.578 -2.478 7.641 163 HA GLU 70 HA GLU 70 0.685 -0.809 6.970 164 HB2 GLU 70 HB2 GLU 70 1.928 -1.960 8.585 165 HB3 GLU 70 HB3 GLU 70 0.317 -1.719 9.243 166 HG2 GLU 70 HG2 GLU 70 -0.220 -4.024 9.115 167 HG3 GLU 70 HG3 GLU 70 1.039 -4.368 7.924 168 H GLN 71 H GLN 71 -0.442 -3.642 5.410 169 HA GLN 71 HA GLN 71 2.215 -4.293 4.212 170 HB2 GLN 71 HB2 GLN 71 -0.566 -5.373 3.531 171 HB3 GLN 71 HB3 GLN 71 0.982 -5.971 2.942 172 HG2 GLN 71 HG2 GLN 71 -0.042 -6.114 5.806 173 HG3 GLN 71 HG3 GLN 71 0.149 -7.456 4.684 174 HE21 GLN 71 HE21 GLN 71 1.510 -6.769 7.447 175 HE22 GLN 71 HE22 GLN 71 3.204 -6.887 7.021 176 H PHE 72 H PHE 72 -0.924 -2.787 3.326 177 HA PHE 72 HA PHE 72 -0.179 -2.113 0.652 178 HB2 PHE 72 HB2 PHE 72 -2.508 -2.219 1.517 179 HB3 PHE 72 HB3 PHE 72 -2.200 -0.798 2.513 180 HD1 PHE 72 HD2 PHE 72 -2.367 -2.046 -1.009 181 HD2 PHE 72 HD1 PHE 72 -2.269 1.412 1.561 182 HE1 PHE 72 HE2 PHE 72 -2.932 -0.595 -2.942 183 HE2 PHE 72 HE1 PHE 72 -2.847 2.858 -0.361 184 HZ PHE 72 HZ PHE 72 -3.165 1.856 -2.626 185 H LYS 73 H LYS 73 0.169 -0.284 3.731 186 HA LYS 73 HA LYS 73 1.238 2.132 2.740 187 HB2 LYS 73 HB2 LYS 73 1.944 0.512 5.224 188 HB3 LYS 73 HB3 LYS 73 2.659 2.092 4.875 189 HG2 LYS 73 HG2 LYS 73 0.432 3.150 4.871 190 HG3 LYS 73 HG3 LYS 73 -0.323 1.598 5.221 191 HD2 LYS 73 HD2 LYS 73 1.149 1.485 7.327 192 HD3 LYS 73 HD3 LYS 73 1.596 3.170 6.980 193 HE2 LYS 73 HE2 LYS 73 -0.886 3.728 6.980 194 HE3 LYS 73 HE3 LYS 73 -1.208 2.072 7.497 195 HZ1 LYS 73 HZ1 LYS 73 0.170 2.526 9.480 196 HZ2 LYS 73 HZ2 LYS 73 -1.124 3.531 9.392 197 HZ3 LYS 73 HZ3 LYS 73 0.375 4.088 8.984 198 H SER 74 H SER 74 3.121 -0.829 3.510 199 HA SER 74 HA SER 74 5.599 0.307 2.526 200 HB2 SER 74 HB2 SER 74 5.326 -1.440 4.359 201 HB3 SER 74 HB3 SER 74 5.027 -2.620 3.070 202 HG SER 74 HG SER 74 7.347 -0.962 3.382 203 H ALA 75 H ALA 75 3.304 -2.079 1.119 204 HA ALA 75 HA ALA 75 4.658 -2.685 -1.272 205 HB1 ALA 75 HB1 ALA 75 2.546 -3.732 -0.475 206 HB2 ALA 75 HB2 ALA 75 1.680 -2.207 -0.742 207 HB3 ALA 75 HB3 ALA 75 2.343 -3.095 -2.113 208 H PHE 76 H PHE 76 2.420 0.075 -0.684 209 HA PHE 76 HA PHE 76 2.908 1.181 -3.311 210 HB2 PHE 76 HB2 PHE 76 0.902 1.401 -1.375 211 HB3 PHE 76 HB3 PHE 76 1.657 2.970 -1.334 212 HD1 PHE 76 HD1 PHE 76 0.216 0.389 -3.647 213 HD2 PHE 76 HD2 PHE 76 1.004 4.578 -3.016 214 HE1 PHE 76 HE1 PHE 76 -1.179 0.955 -5.619 215 HE2 PHE 76 HE2 PHE 76 -0.360 5.135 -4.992 216 HZ PHE 76 HZ PHE 76 -1.474 3.334 -6.296 217 H SER 77 H SER 77 4.187 2.065 0.000 218 HA SER 77 HA SER 77 5.528 4.428 -1.018 219 HB2 SER 77 HB2 SER 77 6.730 4.482 1.057 220 HB3 SER 77 HB3 SER 77 5.018 4.135 1.365 221 HG SER 77 HG SER 77 5.951 2.649 2.572 222 H CYS 78 H CYS 78 6.718 1.057 -0.482 223 HA CYS 78 HA CYS 78 9.324 1.412 -1.518 224 HB2 CYS 78 HB2 CYS 78 8.424 -0.575 -0.332 225 HB3 CYS 78 HB3 CYS 78 7.484 -0.998 -1.747 226 H PHE 79 H PHE 79 6.310 0.575 -3.353 227 HA PHE 79 HA PHE 79 7.571 0.475 -5.909 228 HB2 PHE 79 HB2 PHE 79 5.336 -0.362 -5.705 229 HB3 PHE 79 HB3 PHE 79 4.738 1.140 -5.013 230 HD1 PHE 79 HD2 PHE 79 6.560 0.024 -8.135 231 HD2 PHE 79 HD1 PHE 79 3.556 2.611 -6.419 232 HE1 PHE 79 HE2 PHE 79 6.157 1.036 -10.347 233 HE2 PHE 79 HE1 PHE 79 3.193 3.648 -8.632 234 HZ PHE 79 HZ PHE 79 4.500 2.865 -10.615 235 H HIS 80 H HIS 80 6.040 3.285 -4.245 236 HA HIS 80 HA HIS 80 6.768 5.087 -6.391 237 HB2 HIS 80 HB2 HIS 80 5.603 5.439 -3.617 238 HB3 HIS 80 HB3 HIS 80 6.125 6.836 -4.580 239 HD1 HIS 80 HD1 HIS 80 4.904 7.017 -7.109 240 HD2 HIS 80 HD2 HIS 80 3.159 4.507 -4.242 241 HE1 HIS 80 HE1 HIS 80 2.528 6.535 -7.915 242 H TYR 81 H TYR 81 8.699 3.944 -3.689 243 HA TYR 81 HA TYR 81 10.707 6.068 -4.133 244 HB2 TYR 81 HB2 TYR 81 10.608 3.628 -2.351 245 HB3 TYR 81 HB3 TYR 81 11.996 4.693 -2.467 246 HD1 TYR 81 HD1 TYR 81 8.984 6.725 -2.588 247 HD2 TYR 81 HD2 TYR 81 11.611 4.552 0.066 248 HE1 TYR 81 HE1 TYR 81 8.143 8.050 -0.684 249 HE2 TYR 81 HE2 TYR 81 10.777 5.907 1.984 250 HH TYR 81 HH TYR 81 9.327 7.605 2.667 251 H SER 82 H SER 82 10.179 2.740 -5.044 252 HA SER 82 HA SER 82 12.829 2.171 -6.192 253 HB2 SER 82 HB2 SER 82 11.332 0.388 -5.483 254 HB3 SER 82 HB3 SER 82 10.024 0.943 -6.481 255 HG SER 82 HG SER 82 12.293 -0.494 -7.217 256 H THR 83 H THR 83 9.880 3.613 -7.487 257 HA THR 83 HA THR 83 9.238 4.519 -9.424 258 HB THR 83 HB THR 83 10.616 6.217 -10.407 259 HG1 THR 83 HG1 THR 83 12.780 6.335 -9.917 260 HG21 THR 83 HG21 THR 83 11.211 7.476 -8.416 261 HG22 THR 83 HG22 THR 83 11.229 6.029 -7.388 262 HG23 THR 83 HG23 THR 83 9.719 6.610 -8.114 263 H GLU 84 H GLU 84 11.100 1.843 -9.962 264 HA GLU 84 HA GLU 84 11.916 1.999 -12.552 265 HB2 GLU 84 HB2 GLU 84 10.916 -0.393 -10.965 266 HB3 GLU 84 HB3 GLU 84 11.380 -0.560 -12.670 267 HG2 GLU 84 HG2 GLU 84 13.606 0.552 -12.084 268 HG3 GLU 84 HG3 GLU 84 13.158 0.353 -10.400 269 H GLU 85 H GLU 85 8.483 1.302 -11.824 270 HA GLU 85 HA GLU 85 7.164 2.598 -13.622 271 HB2 GLU 85 HB2 GLU 85 8.345 0.386 -15.282 272 HB3 GLU 85 HB3 GLU 85 6.677 0.794 -15.540 273 HG2 GLU 85 HG2 GLU 85 7.150 3.101 -16.057 274 HG3 GLU 85 HG3 GLU 85 8.870 2.876 -15.735 275 H ILE 86 H ILE 86 7.158 -1.010 -13.335 276 HA ILE 86 HA ILE 86 4.234 -0.931 -13.375 277 HB ILE 86 HB ILE 86 6.045 -3.361 -13.098 278 HG12 ILE 86 HG12 ILE 86 5.034 -3.600 -15.582 279 HG13 ILE 86 HG13 ILE 86 4.999 -1.843 -15.495 280 HG21 ILE 86 HG21 ILE 86 3.812 -3.841 -12.254 281 HG22 ILE 86 HG22 ILE 86 3.075 -3.085 -13.687 282 HG23 ILE 86 HG23 ILE 86 4.004 -4.595 -13.829 283 HD11 ILE 86 HD11 ILE 86 7.473 -1.860 -15.065 284 HD12 ILE 86 HD12 ILE 86 7.448 -3.635 -15.088 285 HD13 ILE 86 HD13 ILE 86 7.057 -2.717 -16.552 286 H LYS 87 H LYS 87 2.782 -1.235 -11.755 287 HA LYS 87 HA LYS 87 3.345 -0.501 -9.134 288 HB2 LYS 87 HB2 LYS 87 1.120 -2.341 -10.113 289 HB3 LYS 87 HB3 LYS 87 1.136 -1.501 -8.577 290 HG2 LYS 87 HG2 LYS 87 0.992 -0.193 -11.332 291 HG3 LYS 87 HG3 LYS 87 -0.339 -0.395 -10.179 292 HD2 LYS 87 HD2 LYS 87 0.935 1.014 -8.530 293 HD3 LYS 87 HD3 LYS 87 2.138 1.316 -9.780 294 HE2 LYS 87 HE2 LYS 87 -0.808 2.084 -9.968 295 HE3 LYS 87 HE3 LYS 87 0.499 3.158 -9.459 296 HZ1 LYS 87 HZ1 LYS 87 -0.083 2.191 -12.152 297 HZ2 LYS 87 HZ2 LYS 87 1.487 2.406 -11.785 298 HZ3 LYS 87 HZ3 LYS 87 0.465 3.666 -11.646 299 H GLY 88 H GLY 88 4.882 -1.367 -7.913 300 HA2 GLY 88 HA2 GLY 88 5.666 -2.787 -6.266 301 HA3 GLY 88 HA3 GLY 88 4.525 -4.052 -6.802 302 H SER 89 H SER 89 6.492 -2.938 -9.394 303 HA SER 89 HA SER 89 7.316 -5.389 -10.195 304 HB2 SER 89 HB2 SER 89 9.099 -4.167 -11.480 305 HB3 SER 89 HB3 SER 89 7.507 -3.420 -11.562 306 HG SER 89 HG SER 89 9.718 -2.620 -10.003 307 H ASP 90 H ASP 90 9.155 -3.514 -7.850 308 HA ASP 90 HA ASP 90 11.343 -5.555 -7.797 309 HB2 ASP 90 HB2 ASP 90 11.579 -3.007 -8.547 310 HB3 ASP 90 HB3 ASP 90 11.565 -2.697 -6.815 311 H CYS 91 H CYS 91 8.710 -4.791 -6.145 312 HA CYS 91 HA CYS 91 9.724 -5.086 -3.323 313 HB2 CYS 91 HB2 CYS 91 7.433 -3.383 -4.425 314 HB3 CYS 91 HB3 CYS 91 7.882 -3.497 -2.732 315 H VAL 92 H VAL 92 8.625 -7.050 -5.314 316 HA VAL 92 HA VAL 92 5.862 -7.374 -5.375 317 HB VAL 92 HB VAL 92 7.983 -9.522 -5.665 318 HG11 VAL 92 HG11 VAL 92 5.083 -9.553 -6.587 319 HG12 VAL 92 HG12 VAL 92 6.325 -10.712 -7.108 320 HG13 VAL 92 HG13 VAL 92 5.838 -10.658 -5.416 321 HG21 VAL 92 HG21 VAL 92 6.597 -7.796 -7.761 322 HG22 VAL 92 HG22 VAL 92 8.289 -7.635 -7.247 323 HG23 VAL 92 HG23 VAL 92 7.762 -9.093 -8.093 324 H ASP 93 H ASP 93 8.035 -8.786 -2.919 325 HA ASP 93 HA ASP 93 6.295 -10.646 -1.765 326 HB2 ASP 93 HB2 ASP 93 8.769 -10.159 -1.272 327 HB3 ASP 93 HB3 ASP 93 8.212 -8.928 -0.145 328 H GLN 94 H GLN 94 6.546 -7.155 -0.989 329 HA GLN 94 HA GLN 94 4.671 -7.131 1.165 330 HB2 GLN 94 HB2 GLN 94 5.655 -4.963 -0.745 331 HB3 GLN 94 HB3 GLN 94 4.491 -4.665 0.518 332 HG2 GLN 94 HG2 GLN 94 6.452 -3.955 1.446 333 HG3 GLN 94 HG3 GLN 94 6.110 -5.490 2.240 334 HE21 GLN 94 HE21 GLN 94 7.783 -5.146 -1.013 335 HE22 GLN 94 HE22 GLN 94 9.352 -5.582 -0.308 336 H PHE 95 H PHE 95 4.112 -6.800 -2.353 337 HA PHE 95 HA PHE 95 1.277 -6.204 -2.113 338 HB2 PHE 95 HB2 PHE 95 3.022 -7.191 -4.409 339 HB3 PHE 95 HB3 PHE 95 1.289 -6.931 -4.560 340 HD1 PHE 95 HD2 PHE 95 4.497 -5.172 -3.741 341 HD2 PHE 95 HD1 PHE 95 0.388 -4.770 -5.011 342 HE1 PHE 95 HE2 PHE 95 4.852 -2.758 -4.150 343 HE2 PHE 95 HE1 PHE 95 0.761 -2.367 -5.469 344 HZ PHE 95 HZ PHE 95 2.994 -1.345 -5.015 345 H ARG 96 H ARG 96 3.208 -9.170 -2.425 346 HA ARG 96 HA ARG 96 0.998 -10.996 -2.704 347 HB2 ARG 96 HB2 ARG 96 3.540 -11.329 -3.156 348 HB3 ARG 96 HB3 ARG 96 3.676 -11.681 -1.423 349 HG2 ARG 96 HG2 ARG 96 2.031 -13.525 -1.681 350 HG3 ARG 96 HG3 ARG 96 1.828 -13.104 -3.390 351 HD2 ARG 96 HD2 ARG 96 4.337 -13.489 -3.663 352 HD3 ARG 96 HD3 ARG 96 4.328 -14.195 -2.029 353 HE ARG 96 HE ARG 96 2.385 -15.652 -3.115 354 HH11 ARG 96 HH11 ARG 96 5.522 -14.971 -4.642 355 HH12 ARG 96 HH12 ARG 96 5.379 -16.359 -5.681 356 HH21 ARG 96 HH21 ARG 96 2.198 -17.211 -4.498 357 HH22 ARG 96 HH22 ARG 96 3.441 -17.581 -5.682 358 H ALA 97 H ALA 97 2.895 -9.884 0.113 359 HA ALA 97 HA ALA 97 1.484 -11.103 2.210 360 HB1 ALA 97 HB1 ALA 97 2.574 -9.437 3.594 361 HB2 ALA 97 HB2 ALA 97 3.698 -9.953 2.323 362 HB3 ALA 97 HB3 ALA 97 2.866 -8.387 2.199 363 H MET 98 H MET 98 0.865 -7.890 0.697 364 HA MET 98 HA MET 98 -1.513 -7.282 2.151 365 HB2 MET 98 HB2 MET 98 -0.192 -5.732 0.683 366 HB3 MET 98 HB3 MET 98 -0.808 -6.566 -0.734 367 HG2 MET 98 HG2 MET 98 -3.080 -5.847 0.885 368 HG3 MET 98 HG3 MET 98 -2.001 -4.467 0.859 369 HE1 MET 98 HE1 MET 98 -2.719 -7.175 -2.053 370 HE2 MET 98 HE2 MET 98 -4.225 -6.904 -1.136 371 HE3 MET 98 HE3 MET 98 -4.089 -6.351 -2.819 372 H GLN 99 H GLN 99 -1.126 -9.215 -0.849 373 HA GLN 99 HA GLN 99 -3.933 -9.686 -1.240 374 HB2 GLN 99 HB2 GLN 99 -2.110 -9.877 -2.981 375 HB3 GLN 99 HB3 GLN 99 -1.612 -11.419 -2.233 376 HG2 GLN 99 HG2 GLN 99 -3.881 -12.337 -2.718 377 HG3 GLN 99 HG3 GLN 99 -4.355 -10.815 -3.435 378 HE21 GLN 99 HE21 GLN 99 -1.205 -11.137 -4.532 379 HE22 GLN 99 HE22 GLN 99 -1.533 -12.091 -5.978 380 H GLU 100 H GLU 100 -1.439 -11.822 0.334 381 HA GLU 100 HA GLU 100 -3.307 -13.863 0.956 382 HB2 GLU 100 HB2 GLU 100 -1.594 -14.911 2.202 383 HB3 GLU 100 HB3 GLU 100 -0.867 -14.142 0.791 384 HG2 GLU 100 HG2 GLU 100 -0.443 -12.146 2.465 385 HG3 GLU 100 HG3 GLU 100 -0.703 -13.350 3.724 386 H CYS 101 H CYS 101 -2.430 -10.948 2.740 387 HA CYS 101 HA CYS 101 -3.883 -11.568 5.174 388 HB2 CYS 101 HB2 CYS 101 -2.045 -9.877 4.889 389 HB3 CYS 101 HB3 CYS 101 -3.139 -8.856 3.973 390 H MET 102 H MET 102 -4.728 -9.516 2.320 391 HA MET 102 HA MET 102 -7.376 -8.974 3.294 392 HB2 MET 102 HB2 MET 102 -6.128 -8.649 0.540 393 HB3 MET 102 HB3 MET 102 -7.767 -8.130 0.947 394 HG2 MET 102 HG2 MET 102 -6.882 -6.704 2.775 395 HG3 MET 102 HG3 MET 102 -5.240 -7.194 2.344 396 HE1 MET 102 HE1 MET 102 -8.404 -6.030 0.150 397 HE2 MET 102 HE2 MET 102 -8.289 -4.952 1.560 398 HE3 MET 102 HE3 MET 102 -7.936 -4.329 -0.067 399 H GLN 103 H GLN 103 -6.241 -11.747 1.376 400 HA GLN 103 HA GLN 103 -8.998 -12.510 0.768 401 HB2 GLN 103 HB2 GLN 103 -8.141 -14.585 -0.095 402 HB3 GLN 103 HB3 GLN 103 -7.305 -13.192 -0.736 403 HG2 GLN 103 HG2 GLN 103 -5.491 -14.502 -0.428 404 HG3 GLN 103 HG3 GLN 103 -5.537 -13.726 1.146 405 HE21 GLN 103 HE21 GLN 103 -4.937 -15.188 2.687 406 HE22 GLN 103 HE22 GLN 103 -5.429 -16.889 2.671 407 H LYS 104 H LYS 104 -6.868 -13.166 3.588 408 HA LYS 104 HA LYS 104 -8.943 -14.952 4.714 409 HB2 LYS 104 HB2 LYS 104 -6.608 -13.570 6.119 410 HB3 LYS 104 HB3 LYS 104 -7.694 -14.791 6.801 411 HG2 LYS 104 HG2 LYS 104 -6.855 -16.286 4.791 412 HG3 LYS 104 HG3 LYS 104 -5.519 -15.126 4.754 413 HD2 LYS 104 HD2 LYS 104 -6.297 -17.023 6.980 414 HD3 LYS 104 HD3 LYS 104 -4.787 -16.964 6.064 415 HE2 LYS 104 HE2 LYS 104 -4.351 -14.677 7.106 416 HE3 LYS 104 HE3 LYS 104 -5.794 -14.935 8.107 417 HZ1 LYS 104 HZ1 LYS 104 -3.188 -16.173 8.281 418 HZ2 LYS 104 HZ2 LYS 104 -4.410 -17.184 8.567 419 HZ3 LYS 104 HZ3 LYS 104 -4.249 -15.796 9.487 420 H TYR 105 H TYR 105 -8.075 -11.530 4.851 421 HA TYR 105 HA TYR 105 -10.370 -10.950 6.677 422 HB2 TYR 105 HB2 TYR 105 -7.855 -9.378 6.013 423 HB3 TYR 105 HB3 TYR 105 -9.149 -8.806 7.037 424 HD1 TYR 105 HD2 TYR 105 -8.681 -12.261 7.937 425 HD2 TYR 105 HD1 TYR 105 -7.003 -8.313 8.363 426 HE1 TYR 105 HE2 TYR 105 -7.402 -13.018 9.882 427 HE2 TYR 105 HE1 TYR 105 -5.818 -9.051 10.416 428 HH TYR 105 HH TYR 105 -5.548 -10.774 11.944 429 HA PRO 106 HA PRO 106 -11.654 -9.108 2.614 430 HB2 PRO 106 HB2 PRO 106 -14.012 -10.346 2.139 431 HB3 PRO 106 HB3 PRO 106 -12.450 -11.179 1.909 432 HG2 PRO 106 HG2 PRO 106 -14.268 -11.295 4.348 433 HG3 PRO 106 HG3 PRO 106 -13.581 -12.668 3.419 434 HD2 PRO 106 HD2 PRO 106 -12.361 -11.737 5.667 435 HD3 PRO 106 HD3 PRO 106 -11.435 -12.304 4.244 436 H ASP 107 H ASP 107 -13.708 -9.311 5.592 437 HA ASP 107 HA ASP 107 -14.495 -6.548 5.272 438 HB2 ASP 107 HB2 ASP 107 -15.991 -8.170 3.671 439 HB3 ASP 107 HB3 ASP 107 -16.935 -8.278 5.129 440 H LEU 108 H LEU 108 -13.434 -8.320 7.511 441 HA LEU 108 HA LEU 108 -15.654 -8.307 9.450 442 HB2 LEU 108 HB2 LEU 108 -14.227 -9.356 10.996 443 HB3 LEU 108 HB3 LEU 108 -14.145 -10.178 9.463 444 HG LEU 108 HG LEU 108 -12.043 -10.220 10.589 445 HD11 LEU 108 HD11 LEU 108 -10.547 -9.533 8.873 446 HD12 LEU 108 HD12 LEU 108 -11.692 -8.351 8.220 447 HD13 LEU 108 HD13 LEU 108 -12.038 -10.095 8.101 448 HD21 LEU 108 HD21 LEU 108 -11.811 -7.194 10.435 449 HD22 LEU 108 HD22 LEU 108 -10.652 -8.342 11.121 450 HD23 LEU 108 HD23 LEU 108 -12.223 -8.111 11.903 451 H TYR 109 H TYR 109 -13.989 -5.857 8.289 452 HA TYR 109 HA TYR 109 -13.877 -4.223 10.783 453 HB2 TYR 109 HB2 TYR 109 -12.329 -2.823 9.179 454 HB3 TYR 109 HB3 TYR 109 -11.738 -4.277 9.931 455 HD1 TYR 109 HD2 TYR 109 -13.520 -3.315 6.750 456 HD2 TYR 109 HD1 TYR 109 -10.536 -5.792 8.620 457 HE1 TYR 109 HE2 TYR 109 -12.941 -4.320 4.524 458 HE2 TYR 109 HE1 TYR 109 -9.941 -6.754 6.397 459 HH TYR 109 HH TYR 109 -10.570 -6.934 4.179 Start of MODEL 17 1 H GLY 45 H GLY 45 0.287 15.260 -6.516 2 HA2 GLY 45 HA2 GLY 45 -2.228 14.061 -7.437 3 HA3 GLY 45 HA3 GLY 45 -0.603 13.356 -7.602 4 H LEU 46 H LEU 46 -0.898 11.557 -6.285 5 HA LEU 46 HA LEU 46 -2.097 11.783 -3.623 6 HB2 LEU 46 HB2 LEU 46 -1.971 9.366 -3.642 7 HB3 LEU 46 HB3 LEU 46 -2.707 9.946 -5.115 8 HG LEU 46 HG LEU 46 0.209 9.583 -5.441 9 HD11 LEU 46 HD11 LEU 46 -1.414 7.109 -4.737 10 HD12 LEU 46 HD12 LEU 46 -0.110 7.817 -3.754 11 HD13 LEU 46 HD13 LEU 46 0.250 7.142 -5.347 12 HD21 LEU 46 HD21 LEU 46 -1.392 9.833 -7.323 13 HD22 LEU 46 HD22 LEU 46 -2.163 8.302 -6.857 14 HD23 LEU 46 HD23 LEU 46 -0.480 8.316 -7.421 15 H ILE 47 H ILE 47 0.901 12.635 -4.435 16 HA ILE 47 HA ILE 47 2.256 11.362 -2.085 17 HB ILE 47 HB ILE 47 3.683 12.596 -4.457 18 HG12 ILE 47 HG12 ILE 47 2.379 10.800 -5.485 19 HG13 ILE 47 HG13 ILE 47 4.090 10.456 -5.480 20 HG21 ILE 47 HG21 ILE 47 5.548 11.163 -3.652 21 HG22 ILE 47 HG22 ILE 47 5.000 12.323 -2.441 22 HG23 ILE 47 HG23 ILE 47 4.523 10.620 -2.307 23 HD11 ILE 47 HD11 ILE 47 3.863 8.817 -3.720 24 HD12 ILE 47 HD12 ILE 47 2.152 9.253 -3.460 25 HD13 ILE 47 HD13 ILE 47 2.659 8.476 -4.968 26 H LEU 48 H LEU 48 3.170 12.723 -0.583 27 HA LEU 48 HA LEU 48 2.349 15.496 -0.448 28 HB2 LEU 48 HB2 LEU 48 4.247 13.725 1.156 29 HB3 LEU 48 HB3 LEU 48 3.942 15.377 1.574 30 HG LEU 48 HG LEU 48 1.605 13.463 1.345 31 HD11 LEU 48 HD11 LEU 48 1.802 13.009 3.750 32 HD12 LEU 48 HD12 LEU 48 3.329 13.912 3.825 33 HD13 LEU 48 HD13 LEU 48 3.217 12.408 2.887 34 HD21 LEU 48 HD21 LEU 48 0.669 15.072 3.036 35 HD22 LEU 48 HD22 LEU 48 1.087 15.870 1.511 36 HD23 LEU 48 HD23 LEU 48 2.145 16.038 2.930 37 HA PRO 49 HA PRO 49 6.077 17.453 -2.095 38 HB2 PRO 49 HB2 PRO 49 6.395 19.618 -0.435 39 HB3 PRO 49 HB3 PRO 49 5.131 19.517 -1.691 40 HG2 PRO 49 HG2 PRO 49 4.876 18.894 1.268 41 HG3 PRO 49 HG3 PRO 49 3.799 19.914 0.255 42 HD2 PRO 49 HD2 PRO 49 3.190 17.336 0.804 43 HD3 PRO 49 HD3 PRO 49 2.869 18.021 -0.819 44 H ASN 50 H ASN 50 5.879 16.456 1.321 45 HA ASN 50 HA ASN 50 8.814 16.297 1.549 46 HB2 ASN 50 HB2 ASN 50 8.431 15.485 3.797 47 HB3 ASN 50 HB3 ASN 50 7.577 16.982 3.515 48 HD21 ASN 50 HD21 ASN 50 7.199 13.598 4.348 49 HD22 ASN 50 HD22 ASN 50 5.460 13.740 4.667 50 H GLY 51 H GLY 51 7.251 14.741 -0.520 51 HA2 GLY 51 HA2 GLY 51 7.807 12.902 -1.732 52 HA3 GLY 51 HA3 GLY 51 9.013 12.472 -0.505 53 H ASN 52 H ASN 52 6.927 12.215 1.650 54 HA ASN 52 HA ASN 52 6.333 9.463 1.091 55 HB2 ASN 52 HB2 ASN 52 6.849 10.747 3.370 56 HB3 ASN 52 HB3 ASN 52 5.087 10.800 3.474 57 HD21 ASN 52 HD21 ASN 52 3.970 8.717 3.921 58 HD22 ASN 52 HD22 ASN 52 4.953 7.279 4.212 59 H ILE 53 H ILE 53 4.184 8.456 1.532 60 HA ILE 53 HA ILE 53 2.291 9.636 -0.398 61 HB ILE 53 HB ILE 53 2.221 6.946 0.950 62 HG12 ILE 53 HG12 ILE 53 3.332 7.869 -1.714 63 HG13 ILE 53 HG13 ILE 53 4.260 7.182 -0.369 64 HG21 ILE 53 HG21 ILE 53 0.687 8.032 -1.438 65 HG22 ILE 53 HG22 ILE 53 0.612 6.357 -0.862 66 HG23 ILE 53 HG23 ILE 53 -0.017 7.648 0.150 67 HD11 ILE 53 HD11 ILE 53 3.070 5.033 -0.685 68 HD12 ILE 53 HD12 ILE 53 2.297 5.697 -2.152 69 HD13 ILE 53 HD13 ILE 53 4.048 5.535 -2.062 70 H ASN 54 H ASN 54 0.282 10.253 -0.095 71 HA ASN 54 HA ASN 54 -0.199 11.495 2.458 72 HB2 ASN 54 HB2 ASN 54 -0.307 12.479 0.104 73 HB3 ASN 54 HB3 ASN 54 -1.832 11.626 -0.111 74 HD21 ASN 54 HD21 ASN 54 -3.660 12.313 1.387 75 HD22 ASN 54 HD22 ASN 54 -3.607 13.967 1.988 76 H TRP 55 H TRP 55 -0.685 9.440 3.709 77 HA TRP 55 HA TRP 55 -2.874 7.792 3.170 78 HB2 TRP 55 HB2 TRP 55 -1.645 8.345 5.871 79 HB3 TRP 55 HB3 TRP 55 -2.492 6.878 5.378 80 HD1 TRP 55 HD1 TRP 55 0.728 7.714 6.231 81 HE1 TRP 55 HE1 TRP 55 2.549 6.369 5.045 82 HE3 TRP 55 HE3 TRP 55 -2.020 5.931 2.278 83 HZ2 TRP 55 HZ2 TRP 55 2.800 4.744 2.676 84 HZ3 TRP 55 HZ3 TRP 55 -0.966 4.462 0.591 85 HH2 TRP 55 HH2 TRP 55 1.446 3.887 0.755 86 H ASN 56 H ASN 56 -3.743 10.706 3.337 87 HA ASN 56 HA ASN 56 -6.247 10.196 4.870 88 HB2 ASN 56 HB2 ASN 56 -4.363 12.449 5.009 89 HB3 ASN 56 HB3 ASN 56 -5.977 12.993 4.552 90 HD21 ASN 56 HD21 ASN 56 -5.096 10.246 6.777 91 HD22 ASN 56 HD22 ASN 56 -5.855 11.023 8.163 92 H CYS 57 H CYS 57 -5.093 10.324 1.757 93 HA CYS 57 HA CYS 57 -7.195 11.738 0.394 94 HB2 CYS 57 HB2 CYS 57 -5.421 9.390 -0.413 95 HB3 CYS 57 HB3 CYS 57 -6.516 10.229 -1.529 96 HG CYS 57 HG CYS 57 -4.002 11.004 -1.886 97 HA PRO 58 HA PRO 58 -10.512 8.778 1.319 98 HB2 PRO 58 HB2 PRO 58 -12.436 9.654 -0.440 99 HB3 PRO 58 HB3 PRO 58 -12.037 10.478 1.097 100 HG2 PRO 58 HG2 PRO 58 -11.055 11.149 -1.691 101 HG3 PRO 58 HG3 PRO 58 -11.681 12.263 -0.435 102 HD2 PRO 58 HD2 PRO 58 -9.015 11.895 -0.844 103 HD3 PRO 58 HD3 PRO 58 -9.672 12.150 0.802 104 H CYS 59 H CYS 59 -10.367 6.822 0.681 105 HA CYS 59 HA CYS 59 -10.510 4.907 -0.721 106 HB2 CYS 59 HB2 CYS 59 -10.831 6.097 -2.855 107 HB3 CYS 59 HB3 CYS 59 -9.111 6.515 -2.902 108 HG CYS 59 HG CYS 59 -9.465 4.515 -4.524 109 H LEU 60 H LEU 60 -7.453 6.303 -1.774 110 HA LEU 60 HA LEU 60 -5.818 4.278 -0.971 111 HB2 LEU 60 HB2 LEU 60 -5.348 6.267 -2.492 112 HB3 LEU 60 HB3 LEU 60 -5.106 7.239 -1.043 113 HG LEU 60 HG LEU 60 -3.199 5.617 -0.422 114 HD11 LEU 60 HD11 LEU 60 -2.222 4.297 -2.228 115 HD12 LEU 60 HD12 LEU 60 -3.469 4.844 -3.367 116 HD13 LEU 60 HD13 LEU 60 -3.906 3.790 -2.015 117 HD21 LEU 60 HD21 LEU 60 -1.630 6.716 -2.013 118 HD22 LEU 60 HD22 LEU 60 -2.763 7.859 -1.278 119 HD23 LEU 60 HD23 LEU 60 -3.019 7.306 -2.946 120 H GLY 61 H GLY 61 -6.699 7.024 1.144 121 HA2 GLY 61 HA2 GLY 61 -4.833 6.307 3.279 122 HA3 GLY 61 HA3 GLY 61 -6.135 7.532 3.331 123 H GLY 62 H GLY 62 -8.151 5.482 2.463 124 HA2 GLY 62 HA2 GLY 62 -8.718 4.195 5.071 125 HA3 GLY 62 HA3 GLY 62 -9.726 4.136 3.596 126 H MET 63 H MET 63 -7.671 3.305 1.765 127 HA MET 63 HA MET 63 -7.376 0.476 2.301 128 HB2 MET 63 HB2 MET 63 -5.848 2.221 0.319 129 HB3 MET 63 HB3 MET 63 -5.854 0.459 0.376 130 HG2 MET 63 HG2 MET 63 -8.433 0.633 0.141 131 HG3 MET 63 HG3 MET 63 -8.161 2.301 -0.308 132 HE1 MET 63 HE1 MET 63 -8.214 -1.347 -1.297 133 HE2 MET 63 HE2 MET 63 -7.153 -1.482 -2.714 134 HE3 MET 63 HE3 MET 63 -6.453 -1.216 -1.108 135 H ALA 64 H ALA 64 -5.277 3.210 3.124 136 HA ALA 64 HA ALA 64 -3.175 1.472 4.183 137 HB1 ALA 64 HB1 ALA 64 -2.267 3.666 4.967 138 HB2 ALA 64 HB2 ALA 64 -2.667 3.664 3.240 139 HB3 ALA 64 HB3 ALA 64 -3.741 4.465 4.412 140 H SER 65 H SER 65 -6.249 1.761 5.338 141 HA SER 65 HA SER 65 -5.562 2.114 8.201 142 HB2 SER 65 HB2 SER 65 -7.488 3.333 7.049 143 HB3 SER 65 HB3 SER 65 -8.309 1.758 6.963 144 HG SER 65 HG SER 65 -8.996 2.699 8.808 145 H GLY 66 H GLY 66 -7.253 0.642 9.571 146 HA2 GLY 66 HA2 GLY 66 -7.825 -1.475 10.374 147 HA3 GLY 66 HA3 GLY 66 -7.721 -2.007 8.683 148 HA PRO 67 HA PRO 67 -4.283 -4.188 10.833 149 HB2 PRO 67 HB2 PRO 67 -4.790 -6.739 9.960 150 HB3 PRO 67 HB3 PRO 67 -5.656 -5.957 11.422 151 HG2 PRO 67 HG2 PRO 67 -6.666 -6.247 8.556 152 HG3 PRO 67 HG3 PRO 67 -7.514 -6.561 10.062 153 HD2 PRO 67 HD2 PRO 67 -7.747 -4.201 8.680 154 HD3 PRO 67 HD3 PRO 67 -7.895 -4.284 10.435 155 H CYS 68 H CYS 68 -5.526 -4.829 7.502 156 HA CYS 68 HA CYS 68 -2.971 -5.569 6.464 157 HB2 CYS 68 HB2 CYS 68 -5.427 -4.629 4.974 158 HB3 CYS 68 HB3 CYS 68 -4.059 -5.433 4.266 159 H GLY 69 H GLY 69 -4.180 -2.414 7.082 160 HA2 GLY 69 HA2 GLY 69 -3.125 -0.835 5.097 161 HA3 GLY 69 HA3 GLY 69 -3.266 -0.365 6.785 162 H GLU 70 H GLU 70 -1.202 -2.389 7.694 163 HA GLU 70 HA GLU 70 1.155 -0.764 7.245 164 HB2 GLU 70 HB2 GLU 70 2.361 -2.269 8.546 165 HB3 GLU 70 HB3 GLU 70 0.790 -2.070 9.309 166 HG2 GLU 70 HG2 GLU 70 0.081 -4.296 8.461 167 HG3 GLU 70 HG3 GLU 70 1.642 -4.492 7.651 168 H GLN 71 H GLN 71 -0.052 -3.698 5.709 169 HA GLN 71 HA GLN 71 2.407 -4.298 4.251 170 HB2 GLN 71 HB2 GLN 71 -0.435 -5.277 3.725 171 HB3 GLN 71 HB3 GLN 71 1.059 -6.038 3.222 172 HG2 GLN 71 HG2 GLN 71 0.103 -5.823 6.118 173 HG3 GLN 71 HG3 GLN 71 -0.138 -7.201 5.051 174 HE21 GLN 71 HE21 GLN 71 1.035 -8.336 6.926 175 HE22 GLN 71 HE22 GLN 71 2.776 -8.387 6.745 176 H PHE 72 H PHE 72 -0.761 -2.819 3.546 177 HA PHE 72 HA PHE 72 -0.346 -2.302 0.778 178 HB2 PHE 72 HB2 PHE 72 -2.548 -2.382 1.924 179 HB3 PHE 72 HB3 PHE 72 -2.140 -0.920 2.811 180 HD1 PHE 72 HD1 PHE 72 -2.976 -2.328 -0.511 181 HD2 PHE 72 HD2 PHE 72 -2.222 1.278 1.732 182 HE1 PHE 72 HE1 PHE 72 -3.843 -0.963 -2.405 183 HE2 PHE 72 HE2 PHE 72 -3.062 2.634 -0.155 184 HZ PHE 72 HZ PHE 72 -3.881 1.508 -2.235 185 H LYS 73 H LYS 73 0.130 -0.193 3.659 186 HA LYS 73 HA LYS 73 1.123 2.117 2.330 187 HB2 LYS 73 HB2 LYS 73 1.684 0.913 5.077 188 HB3 LYS 73 HB3 LYS 73 2.455 2.392 4.529 189 HG2 LYS 73 HG2 LYS 73 0.257 3.461 4.184 190 HG3 LYS 73 HG3 LYS 73 -0.559 2.054 4.819 191 HD2 LYS 73 HD2 LYS 73 1.573 3.581 6.385 192 HD3 LYS 73 HD3 LYS 73 -0.135 4.008 6.451 193 HE2 LYS 73 HE2 LYS 73 -0.782 2.000 7.470 194 HE3 LYS 73 HE3 LYS 73 0.698 1.157 6.994 195 HZ1 LYS 73 HZ1 LYS 73 0.543 1.872 9.398 196 HZ2 LYS 73 HZ2 LYS 73 0.828 3.426 8.892 197 HZ3 LYS 73 HZ3 LYS 73 1.927 2.216 8.642 198 H SER 74 H SER 74 2.884 -0.811 3.432 199 HA SER 74 HA SER 74 5.499 0.153 2.708 200 HB2 SER 74 HB2 SER 74 4.854 -1.743 4.301 201 HB3 SER 74 HB3 SER 74 4.651 -2.756 2.866 202 HG SER 74 HG SER 74 6.769 -2.912 3.700 203 H ALA 75 H ALA 75 3.240 -2.068 0.956 204 HA ALA 75 HA ALA 75 4.669 -2.498 -1.407 205 HB1 ALA 75 HB1 ALA 75 2.527 -3.606 -0.750 206 HB2 ALA 75 HB2 ALA 75 1.660 -2.089 -0.989 207 HB3 ALA 75 HB3 ALA 75 2.393 -2.906 -2.370 208 H PHE 76 H PHE 76 2.277 0.138 -0.925 209 HA PHE 76 HA PHE 76 2.784 1.376 -3.444 210 HB2 PHE 76 HB2 PHE 76 1.196 1.926 -1.021 211 HB3 PHE 76 HB3 PHE 76 1.834 3.383 -1.740 212 HD1 PHE 76 HD2 PHE 76 -0.275 0.388 -2.441 213 HD2 PHE 76 HD1 PHE 76 1.003 4.279 -3.794 214 HE1 PHE 76 HE2 PHE 76 -2.055 0.380 -4.185 215 HE2 PHE 76 HE1 PHE 76 -0.768 4.277 -5.516 216 HZ PHE 76 HZ PHE 76 -2.308 2.324 -5.717 217 H SER 77 H SER 77 4.229 2.103 -0.218 218 HA SER 77 HA SER 77 5.735 4.390 -1.176 219 HB2 SER 77 HB2 SER 77 6.355 2.612 1.208 220 HB3 SER 77 HB3 SER 77 6.940 4.262 0.902 221 HG SER 77 HG SER 77 4.364 3.347 1.580 222 H CYS 78 H CYS 78 6.655 0.945 -0.764 223 HA CYS 78 HA CYS 78 9.366 1.226 -1.620 224 HB2 CYS 78 HB2 CYS 78 8.395 -0.663 -0.381 225 HB3 CYS 78 HB3 CYS 78 7.424 -1.110 -1.770 226 H PHE 79 H PHE 79 6.375 0.591 -3.520 227 HA PHE 79 HA PHE 79 7.693 0.505 -6.086 228 HB2 PHE 79 HB2 PHE 79 5.492 -0.371 -5.918 229 HB3 PHE 79 HB3 PHE 79 4.864 1.075 -5.144 230 HD1 PHE 79 HD2 PHE 79 6.540 0.062 -8.393 231 HD2 PHE 79 HD1 PHE 79 3.692 2.642 -6.415 232 HE1 PHE 79 HE2 PHE 79 5.894 1.041 -10.575 233 HE2 PHE 79 HE1 PHE 79 3.076 3.626 -8.601 234 HZ PHE 79 HZ PHE 79 4.187 2.834 -10.688 235 H HIS 80 H HIS 80 6.061 3.305 -4.400 236 HA HIS 80 HA HIS 80 6.821 5.117 -6.501 237 HB2 HIS 80 HB2 HIS 80 5.771 5.483 -3.688 238 HB3 HIS 80 HB3 HIS 80 6.259 6.870 -4.665 239 HD1 HIS 80 HD1 HIS 80 4.953 6.988 -7.195 240 HD2 HIS 80 HD2 HIS 80 3.256 4.701 -4.115 241 HE1 HIS 80 HE1 HIS 80 2.503 6.643 -7.811 242 H TYR 81 H TYR 81 8.762 4.019 -3.800 243 HA TYR 81 HA TYR 81 10.769 6.143 -4.309 244 HB2 TYR 81 HB2 TYR 81 10.669 3.812 -2.353 245 HB3 TYR 81 HB3 TYR 81 11.989 4.975 -2.462 246 HD1 TYR 81 HD2 TYR 81 9.901 7.424 -2.957 247 HD2 TYR 81 HD1 TYR 81 10.384 4.352 0.030 248 HE1 TYR 81 HE2 TYR 81 8.969 8.942 -1.255 249 HE2 TYR 81 HE1 TYR 81 9.417 5.879 1.741 250 HH TYR 81 HH TYR 81 8.513 8.006 2.145 251 H SER 82 H SER 82 10.426 2.642 -4.948 252 HA SER 82 HA SER 82 12.967 2.330 -6.289 253 HB2 SER 82 HB2 SER 82 11.715 0.355 -5.706 254 HB3 SER 82 HB3 SER 82 10.257 0.980 -6.498 255 HG SER 82 HG SER 82 12.438 -0.324 -7.635 256 H THR 83 H THR 83 9.821 3.578 -7.332 257 HA THR 83 HA THR 83 9.040 4.776 -9.068 258 HB THR 83 HB THR 83 10.450 6.269 -10.341 259 HG1 THR 83 HG1 THR 83 12.467 4.638 -9.318 260 HG21 THR 83 HG21 THR 83 11.384 7.600 -8.520 261 HG22 THR 83 HG22 THR 83 11.225 6.231 -7.398 262 HG23 THR 83 HG23 THR 83 9.782 6.972 -8.112 263 H GLU 84 H GLU 84 11.166 2.275 -9.867 264 HA GLU 84 HA GLU 84 11.830 2.021 -12.236 265 HB2 GLU 84 HB2 GLU 84 10.252 0.010 -10.670 266 HB3 GLU 84 HB3 GLU 84 10.771 -0.427 -12.294 267 HG2 GLU 84 HG2 GLU 84 12.748 0.674 -10.256 268 HG3 GLU 84 HG3 GLU 84 12.321 -1.037 -10.342 269 H GLU 85 H GLU 85 8.327 1.208 -11.998 270 HA GLU 85 HA GLU 85 7.290 2.479 -14.184 271 HB2 GLU 85 HB2 GLU 85 7.249 0.754 -16.010 272 HB3 GLU 85 HB3 GLU 85 8.759 1.597 -15.798 273 HG2 GLU 85 HG2 GLU 85 9.286 -0.635 -14.274 274 HG3 GLU 85 HG3 GLU 85 8.127 -1.301 -15.401 275 H ILE 86 H ILE 86 7.350 -0.990 -13.233 276 HA ILE 86 HA ILE 86 4.376 -1.034 -13.339 277 HB ILE 86 HB ILE 86 6.513 -3.189 -13.405 278 HG12 ILE 86 HG12 ILE 86 4.337 -2.592 -15.463 279 HG13 ILE 86 HG13 ILE 86 5.861 -1.723 -15.482 280 HG21 ILE 86 HG21 ILE 86 4.661 -4.155 -12.127 281 HG22 ILE 86 HG22 ILE 86 3.485 -3.594 -13.340 282 HG23 ILE 86 HG23 ILE 86 4.670 -4.851 -13.736 283 HD11 ILE 86 HD11 ILE 86 6.017 -3.534 -17.039 284 HD12 ILE 86 HD12 ILE 86 7.109 -3.871 -15.684 285 HD13 ILE 86 HD13 ILE 86 5.553 -4.726 -15.812 286 H LYS 87 H LYS 87 3.076 -1.686 -11.719 287 HA LYS 87 HA LYS 87 3.633 -0.959 -9.070 288 HB2 LYS 87 HB2 LYS 87 1.607 -2.975 -10.137 289 HB3 LYS 87 HB3 LYS 87 1.616 -2.357 -8.505 290 HG2 LYS 87 HG2 LYS 87 1.119 -0.746 -11.034 291 HG3 LYS 87 HG3 LYS 87 -0.063 -1.222 -9.794 292 HD2 LYS 87 HD2 LYS 87 1.422 0.115 -8.123 293 HD3 LYS 87 HD3 LYS 87 2.182 0.809 -9.562 294 HE2 LYS 87 HE2 LYS 87 -0.768 0.927 -8.806 295 HE3 LYS 87 HE3 LYS 87 0.382 2.264 -8.696 296 HZ1 LYS 87 HZ1 LYS 87 0.561 2.271 -11.085 297 HZ2 LYS 87 HZ2 LYS 87 -1.065 2.276 -10.671 298 HZ3 LYS 87 HZ3 LYS 87 -0.333 0.915 -11.228 299 H GLY 88 H GLY 88 5.253 -1.694 -7.922 300 HA2 GLY 88 HA2 GLY 88 6.161 -3.074 -6.311 301 HA3 GLY 88 HA3 GLY 88 5.040 -4.370 -6.807 302 H SER 89 H SER 89 7.094 -3.152 -9.406 303 HA SER 89 HA SER 89 8.115 -5.701 -9.893 304 HB2 SER 89 HB2 SER 89 9.675 -4.680 -11.436 305 HB3 SER 89 HB3 SER 89 8.094 -3.902 -11.528 306 HG SER 89 HG SER 89 10.489 -2.903 -10.396 307 H ASP 90 H ASP 90 9.753 -3.309 -7.780 308 HA ASP 90 HA ASP 90 11.959 -5.236 -7.220 309 HB2 ASP 90 HB2 ASP 90 11.306 -2.380 -6.362 310 HB3 ASP 90 HB3 ASP 90 12.673 -3.275 -5.726 311 H CYS 91 H CYS 91 8.907 -4.715 -6.106 312 HA CYS 91 HA CYS 91 9.449 -5.202 -3.187 313 HB2 CYS 91 HB2 CYS 91 7.280 -3.496 -4.476 314 HB3 CYS 91 HB3 CYS 91 7.657 -3.593 -2.759 315 H VAL 92 H VAL 92 8.405 -6.961 -5.563 316 HA VAL 92 HA VAL 92 5.779 -7.458 -5.558 317 HB VAL 92 HB VAL 92 7.430 -8.503 -7.039 318 HG11 VAL 92 HG11 VAL 92 8.538 -10.601 -6.533 319 HG12 VAL 92 HG12 VAL 92 9.035 -9.379 -5.351 320 HG13 VAL 92 HG13 VAL 92 7.851 -10.628 -4.901 321 HG21 VAL 92 HG21 VAL 92 5.067 -9.282 -7.030 322 HG22 VAL 92 HG22 VAL 92 6.211 -10.542 -7.529 323 HG23 VAL 92 HG23 VAL 92 5.515 -10.577 -5.899 324 H ASP 93 H ASP 93 7.888 -8.719 -3.005 325 HA ASP 93 HA ASP 93 5.987 -10.429 -1.767 326 HB2 ASP 93 HB2 ASP 93 8.617 -9.193 -0.984 327 HB3 ASP 93 HB3 ASP 93 7.629 -10.024 0.236 328 H GLN 94 H GLN 94 6.384 -6.918 -1.462 329 HA GLN 94 HA GLN 94 4.661 -6.783 0.931 330 HB2 GLN 94 HB2 GLN 94 5.707 -4.684 -1.018 331 HB3 GLN 94 HB3 GLN 94 4.462 -4.338 0.180 332 HG2 GLN 94 HG2 GLN 94 6.559 -3.627 1.049 333 HG3 GLN 94 HG3 GLN 94 5.925 -4.958 2.019 334 HE21 GLN 94 HE21 GLN 94 8.508 -3.979 -0.265 335 HE22 GLN 94 HE22 GLN 94 9.473 -5.422 0.013 336 H PHE 95 H PHE 95 4.193 -6.407 -2.616 337 HA PHE 95 HA PHE 95 1.365 -5.881 -2.502 338 HB2 PHE 95 HB2 PHE 95 3.229 -6.937 -4.660 339 HB3 PHE 95 HB3 PHE 95 1.504 -6.746 -4.912 340 HD1 PHE 95 HD1 PHE 95 4.591 -4.818 -3.969 341 HD2 PHE 95 HD2 PHE 95 0.540 -4.635 -5.443 342 HE1 PHE 95 HE1 PHE 95 4.862 -2.398 -4.421 343 HE2 PHE 95 HE2 PHE 95 0.821 -2.222 -5.894 344 HZ PHE 95 HZ PHE 95 2.978 -1.089 -5.391 345 H ARG 96 H ARG 96 3.270 -8.882 -2.668 346 HA ARG 96 HA ARG 96 1.081 -10.718 -2.842 347 HB2 ARG 96 HB2 ARG 96 3.331 -11.232 -3.548 348 HB3 ARG 96 HB3 ARG 96 3.958 -11.000 -1.905 349 HG2 ARG 96 HG2 ARG 96 3.072 -13.022 -1.134 350 HG3 ARG 96 HG3 ARG 96 1.867 -13.109 -2.413 351 HD2 ARG 96 HD2 ARG 96 3.647 -14.765 -2.749 352 HD3 ARG 96 HD3 ARG 96 3.512 -13.617 -4.092 353 HE ARG 96 HE ARG 96 5.559 -12.797 -2.173 354 HH11 ARG 96 HH11 ARG 96 5.056 -15.095 -4.826 355 HH12 ARG 96 HH12 ARG 96 6.761 -15.428 -4.954 356 HH21 ARG 96 HH21 ARG 96 7.717 -13.027 -2.603 357 HH22 ARG 96 HH22 ARG 96 8.242 -14.088 -3.870 358 H ALA 97 H ALA 97 2.894 -9.442 0.000 359 HA ALA 97 HA ALA 97 1.373 -10.798 1.995 360 HB1 ALA 97 HB1 ALA 97 3.549 -9.663 2.408 361 HB2 ALA 97 HB2 ALA 97 2.783 -8.082 2.133 362 HB3 ALA 97 HB3 ALA 97 2.287 -9.089 3.509 363 H MET 98 H MET 98 0.882 -7.424 0.682 364 HA MET 98 HA MET 98 -1.512 -7.100 2.228 365 HB2 MET 98 HB2 MET 98 -1.853 -5.039 1.160 366 HB3 MET 98 HB3 MET 98 -0.112 -5.256 1.300 367 HG2 MET 98 HG2 MET 98 -0.258 -4.405 -0.800 368 HG3 MET 98 HG3 MET 98 -0.217 -6.140 -1.120 369 HE1 MET 98 HE1 MET 98 -2.461 -4.918 -4.033 370 HE2 MET 98 HE2 MET 98 -1.031 -4.107 -3.353 371 HE3 MET 98 HE3 MET 98 -1.058 -5.884 -3.528 372 H GLN 99 H GLN 99 -1.105 -8.702 -0.887 373 HA GLN 99 HA GLN 99 -3.916 -8.849 -1.454 374 HB2 GLN 99 HB2 GLN 99 -2.175 -9.156 -3.150 375 HB3 GLN 99 HB3 GLN 99 -1.638 -10.653 -2.370 376 HG2 GLN 99 HG2 GLN 99 -4.569 -10.481 -3.099 377 HG3 GLN 99 HG3 GLN 99 -3.435 -10.471 -4.427 378 HE21 GLN 99 HE21 GLN 99 -4.320 -12.513 -5.174 379 HE22 GLN 99 HE22 GLN 99 -3.763 -13.980 -4.399 380 H GLU 100 H GLU 100 -1.704 -11.344 0.092 381 HA GLU 100 HA GLU 100 -3.974 -12.966 0.636 382 HB2 GLU 100 HB2 GLU 100 -2.634 -14.373 1.977 383 HB3 GLU 100 HB3 GLU 100 -1.757 -13.949 0.502 384 HG2 GLU 100 HG2 GLU 100 -0.211 -12.564 1.675 385 HG3 GLU 100 HG3 GLU 100 -1.241 -12.488 3.123 386 H CYS 101 H CYS 101 -2.527 -10.343 2.558 387 HA CYS 101 HA CYS 101 -4.065 -10.788 4.926 388 HB2 CYS 101 HB2 CYS 101 -2.194 -9.169 4.656 389 HB3 CYS 101 HB3 CYS 101 -3.263 -8.120 3.711 390 H MET 102 H MET 102 -4.997 -9.073 1.873 391 HA MET 102 HA MET 102 -7.680 -8.589 2.918 392 HB2 MET 102 HB2 MET 102 -6.523 -8.285 0.133 393 HB3 MET 102 HB3 MET 102 -8.192 -7.875 0.584 394 HG2 MET 102 HG2 MET 102 -7.197 -6.396 2.437 395 HG3 MET 102 HG3 MET 102 -5.632 -6.661 1.683 396 HE1 MET 102 HE1 MET 102 -9.028 -3.927 0.283 397 HE2 MET 102 HE2 MET 102 -9.325 -5.638 0.683 398 HE3 MET 102 HE3 MET 102 -8.708 -4.528 1.920 399 H GLN 103 H GLN 103 -6.245 -11.427 1.475 400 HA GLN 103 HA GLN 103 -8.965 -12.533 1.003 401 HB2 GLN 103 HB2 GLN 103 -8.051 -14.159 -0.211 402 HB3 GLN 103 HB3 GLN 103 -6.732 -13.002 -0.368 403 HG2 GLN 103 HG2 GLN 103 -5.629 -14.249 1.608 404 HG3 GLN 103 HG3 GLN 103 -6.875 -15.469 1.426 405 HE21 GLN 103 HE21 GLN 103 -4.061 -15.991 1.125 406 HE22 GLN 103 HE22 GLN 103 -3.808 -16.426 -0.564 407 H LYS 104 H LYS 104 -6.596 -12.509 3.587 408 HA LYS 104 HA LYS 104 -7.990 -14.536 5.166 409 HB2 LYS 104 HB2 LYS 104 -5.738 -12.554 5.616 410 HB3 LYS 104 HB3 LYS 104 -6.467 -13.346 6.999 411 HG2 LYS 104 HG2 LYS 104 -5.368 -14.914 4.633 412 HG3 LYS 104 HG3 LYS 104 -4.363 -14.418 5.985 413 HD2 LYS 104 HD2 LYS 104 -6.838 -16.187 6.264 414 HD3 LYS 104 HD3 LYS 104 -5.169 -16.764 6.150 415 HE2 LYS 104 HE2 LYS 104 -4.601 -15.391 8.182 416 HE3 LYS 104 HE3 LYS 104 -6.319 -15.006 8.371 417 HZ1 LYS 104 HZ1 LYS 104 -5.175 -17.745 8.376 418 HZ2 LYS 104 HZ2 LYS 104 -6.759 -17.381 8.680 419 HZ3 LYS 104 HZ3 LYS 104 -5.587 -16.925 9.720 420 H TYR 105 H TYR 105 -8.495 -11.150 4.635 421 HA TYR 105 HA TYR 105 -10.631 -11.178 6.735 422 HB2 TYR 105 HB2 TYR 105 -8.716 -8.870 6.294 423 HB3 TYR 105 HB3 TYR 105 -10.000 -8.976 7.491 424 HD1 TYR 105 HD1 TYR 105 -9.719 -11.031 9.243 425 HD2 TYR 105 HD2 TYR 105 -6.555 -9.206 6.974 426 HE1 TYR 105 HE1 TYR 105 -8.078 -11.723 10.975 427 HE2 TYR 105 HE2 TYR 105 -4.928 -9.866 8.711 428 HH TYR 105 HH TYR 105 -5.789 -11.752 11.604 429 HA PRO 106 HA PRO 106 -12.314 -9.521 2.825 430 HB2 PRO 106 HB2 PRO 106 -14.751 -10.751 2.750 431 HB3 PRO 106 HB3 PRO 106 -13.179 -11.613 2.412 432 HG2 PRO 106 HG2 PRO 106 -14.732 -11.520 5.034 433 HG3 PRO 106 HG3 PRO 106 -14.105 -12.954 4.172 434 HD2 PRO 106 HD2 PRO 106 -12.705 -11.801 6.194 435 HD3 PRO 106 HD3 PRO 106 -11.881 -12.454 4.765 436 H ASP 107 H ASP 107 -14.271 -9.391 5.857 437 HA ASP 107 HA ASP 107 -15.327 -6.716 5.110 438 HB2 ASP 107 HB2 ASP 107 -16.648 -8.516 3.856 439 HB3 ASP 107 HB3 ASP 107 -17.231 -9.075 5.406 440 H LEU 108 H LEU 108 -14.781 -9.094 7.571 441 HA LEU 108 HA LEU 108 -16.533 -8.368 9.597 442 HB2 LEU 108 HB2 LEU 108 -15.169 -9.706 11.045 443 HB3 LEU 108 HB3 LEU 108 -15.369 -10.463 9.497 444 HG LEU 108 HG LEU 108 -13.206 -10.915 10.332 445 HD11 LEU 108 HD11 LEU 108 -13.444 -10.528 7.863 446 HD12 LEU 108 HD12 LEU 108 -11.803 -10.368 8.508 447 HD13 LEU 108 HD13 LEU 108 -12.720 -8.912 8.102 448 HD21 LEU 108 HD21 LEU 108 -11.476 -9.348 10.849 449 HD22 LEU 108 HD22 LEU 108 -12.906 -8.921 11.806 450 HD23 LEU 108 HD23 LEU 108 -12.472 -7.968 10.366 451 H TYR 109 H TYR 109 -14.413 -6.241 8.485 452 HA TYR 109 HA TYR 109 -14.038 -4.709 10.998 453 HB2 TYR 109 HB2 TYR 109 -12.907 -3.152 9.143 454 HB3 TYR 109 HB3 TYR 109 -12.061 -4.456 9.918 455 HD1 TYR 109 HD2 TYR 109 -14.078 -3.801 6.788 456 HD2 TYR 109 HD1 TYR 109 -10.886 -6.041 8.644 457 HE1 TYR 109 HE2 TYR 109 -13.430 -4.719 4.569 458 HE2 TYR 109 HE1 TYR 109 -10.234 -6.932 6.399 459 HH TYR 109 HH TYR 109 -10.860 -7.128 4.152 Start of MODEL 18 1 H GLY 45 H GLY 45 -3.278 14.746 -7.471 2 HA2 GLY 45 HA2 GLY 45 -1.485 15.498 -6.003 3 HA3 GLY 45 HA3 GLY 45 -2.750 15.910 -4.817 4 H LEU 46 H LEU 46 -0.700 14.023 -4.283 5 HA LEU 46 HA LEU 46 -2.084 11.534 -3.766 6 HB2 LEU 46 HB2 LEU 46 -1.555 11.490 -6.321 7 HB3 LEU 46 HB3 LEU 46 0.141 11.423 -5.858 8 HG LEU 46 HG LEU 46 -0.460 9.289 -4.533 9 HD11 LEU 46 HD11 LEU 46 -2.900 9.560 -4.379 10 HD12 LEU 46 HD12 LEU 46 -2.535 8.121 -5.350 11 HD13 LEU 46 HD13 LEU 46 -3.030 9.619 -6.149 12 HD21 LEU 46 HD21 LEU 46 0.706 9.250 -6.703 13 HD22 LEU 46 HD22 LEU 46 -0.854 9.310 -7.553 14 HD23 LEU 46 HD23 LEU 46 -0.426 7.893 -6.570 15 H ILE 47 H ILE 47 1.045 13.157 -4.172 16 HA ILE 47 HA ILE 47 2.264 11.751 -1.840 17 HB ILE 47 HB ILE 47 3.556 13.184 -4.200 18 HG12 ILE 47 HG12 ILE 47 2.488 11.232 -5.132 19 HG13 ILE 47 HG13 ILE 47 4.210 10.998 -5.088 20 HG21 ILE 47 HG21 ILE 47 5.010 13.155 -2.236 21 HG22 ILE 47 HG22 ILE 47 4.799 11.400 -2.070 22 HG23 ILE 47 HG23 ILE 47 5.636 12.071 -3.479 23 HD11 ILE 47 HD11 ILE 47 2.202 9.761 -3.141 24 HD12 ILE 47 HD12 ILE 47 3.029 8.942 -4.471 25 HD13 ILE 47 HD13 ILE 47 3.963 9.519 -3.085 26 H LEU 48 H LEU 48 3.255 13.034 -0.285 27 HA LEU 48 HA LEU 48 2.100 15.689 0.149 28 HB2 LEU 48 HB2 LEU 48 3.872 13.761 1.706 29 HB3 LEU 48 HB3 LEU 48 3.536 15.347 2.333 30 HG LEU 48 HG LEU 48 1.299 13.419 1.581 31 HD11 LEU 48 HD11 LEU 48 2.674 13.763 4.284 32 HD12 LEU 48 HD12 LEU 48 2.703 12.322 3.241 33 HD13 LEU 48 HD13 LEU 48 1.185 12.833 3.986 34 HD21 LEU 48 HD21 LEU 48 0.012 14.834 3.203 35 HD22 LEU 48 HD22 LEU 48 0.588 15.764 1.816 36 HD23 LEU 48 HD23 LEU 48 1.422 15.893 3.382 37 HA PRO 49 HA PRO 49 5.614 18.052 -1.153 38 HB2 PRO 49 HB2 PRO 49 5.708 20.185 0.583 39 HB3 PRO 49 HB3 PRO 49 4.400 19.928 -0.606 40 HG2 PRO 49 HG2 PRO 49 4.419 19.118 2.318 41 HG3 PRO 49 HG3 PRO 49 3.164 20.066 1.447 42 HD2 PRO 49 HD2 PRO 49 2.890 17.408 1.820 43 HD3 PRO 49 HD3 PRO 49 2.427 18.147 0.264 44 H ASN 50 H ASN 50 6.031 15.953 1.213 45 HA ASN 50 HA ASN 50 8.906 16.601 1.589 46 HB2 ASN 50 HB2 ASN 50 8.742 15.491 3.831 47 HB3 ASN 50 HB3 ASN 50 7.872 17.011 3.696 48 HD21 ASN 50 HD21 ASN 50 6.452 16.551 5.445 49 HD22 ASN 50 HD22 ASN 50 5.225 15.308 5.311 50 H GLY 51 H GLY 51 6.841 14.611 -0.048 51 HA2 GLY 51 HA2 GLY 51 7.613 12.918 -1.464 52 HA3 GLY 51 HA3 GLY 51 8.947 12.549 -0.351 53 H ASN 52 H ASN 52 6.599 12.397 1.839 54 HA ASN 52 HA ASN 52 6.143 9.535 1.546 55 HB2 ASN 52 HB2 ASN 52 6.337 10.484 3.780 56 HB3 ASN 52 HB3 ASN 52 4.981 11.578 3.465 57 HD21 ASN 52 HD21 ASN 52 3.183 10.868 4.569 58 HD22 ASN 52 HD22 ASN 52 2.628 9.199 4.549 59 H ILE 53 H ILE 53 3.925 8.581 1.470 60 HA ILE 53 HA ILE 53 2.311 9.787 -0.702 61 HB ILE 53 HB ILE 53 2.121 7.198 0.849 62 HG12 ILE 53 HG12 ILE 53 2.532 7.246 -2.124 63 HG13 ILE 53 HG13 ILE 53 3.885 7.868 -1.196 64 HG21 ILE 53 HG21 ILE 53 0.384 8.163 -1.459 65 HG22 ILE 53 HG22 ILE 53 0.423 6.492 -0.848 66 HG23 ILE 53 HG23 ILE 53 -0.157 7.795 0.194 67 HD11 ILE 53 HD11 ILE 53 4.083 5.479 -1.663 68 HD12 ILE 53 HD12 ILE 53 4.073 5.826 0.082 69 HD13 ILE 53 HD13 ILE 53 2.627 5.152 -0.697 70 H ASN 54 H ASN 54 0.369 10.788 -0.473 71 HA ASN 54 HA ASN 54 -0.363 11.799 2.139 72 HB2 ASN 54 HB2 ASN 54 -0.599 13.096 0.032 73 HB3 ASN 54 HB3 ASN 54 -1.838 11.968 -0.521 74 HD21 ASN 54 HD21 ASN 54 -3.930 12.063 0.454 75 HD22 ASN 54 HD22 ASN 54 -4.377 13.440 1.473 76 H TRP 55 H TRP 55 -0.714 9.833 3.350 77 HA TRP 55 HA TRP 55 -2.661 7.920 2.687 78 HB2 TRP 55 HB2 TRP 55 -1.772 8.706 5.471 79 HB3 TRP 55 HB3 TRP 55 -2.412 7.153 4.968 80 HD1 TRP 55 HD1 TRP 55 0.596 8.380 6.119 81 HE1 TRP 55 HE1 TRP 55 2.647 7.030 5.355 82 HE3 TRP 55 HE3 TRP 55 -1.484 5.877 2.143 83 HZ2 TRP 55 HZ2 TRP 55 3.334 5.235 3.256 84 HZ3 TRP 55 HZ3 TRP 55 -0.113 4.267 0.852 85 HH2 TRP 55 HH2 TRP 55 2.289 3.930 1.395 86 H ASN 56 H ASN 56 -3.604 11.010 3.040 87 HA ASN 56 HA ASN 56 -6.036 10.519 4.612 88 HB2 ASN 56 HB2 ASN 56 -4.400 12.704 4.447 89 HB3 ASN 56 HB3 ASN 56 -5.648 13.148 3.266 90 HD21 ASN 56 HD21 ASN 56 -8.010 12.145 4.498 91 HD22 ASN 56 HD22 ASN 56 -8.150 12.842 6.118 92 H CYS 57 H CYS 57 -5.217 10.218 1.287 93 HA CYS 57 HA CYS 57 -7.675 11.112 0.071 94 HB2 CYS 57 HB2 CYS 57 -5.626 9.034 -0.804 95 HB3 CYS 57 HB3 CYS 57 -6.902 9.670 -1.845 96 HG CYS 57 HG CYS 57 -6.123 12.220 -1.663 97 HA PRO 58 HA PRO 58 -10.373 8.221 1.888 98 HB2 PRO 58 HB2 PRO 58 -12.365 7.844 -0.019 99 HB3 PRO 58 HB3 PRO 58 -12.201 9.265 1.052 100 HG2 PRO 58 HG2 PRO 58 -11.241 8.956 -1.808 101 HG3 PRO 58 HG3 PRO 58 -12.112 10.335 -1.069 102 HD2 PRO 58 HD2 PRO 58 -9.432 10.398 -1.389 103 HD3 PRO 58 HD3 PRO 58 -10.170 11.053 0.107 104 H CYS 59 H CYS 59 -10.019 7.144 -1.571 105 HA CYS 59 HA CYS 59 -10.230 4.392 -0.928 106 HB2 CYS 59 HB2 CYS 59 -8.870 5.631 -3.367 107 HB3 CYS 59 HB3 CYS 59 -9.586 4.021 -3.222 108 HG CYS 59 HG CYS 59 -11.162 5.497 -4.694 109 H LEU 60 H LEU 60 -7.267 6.189 -1.838 110 HA LEU 60 HA LEU 60 -5.462 4.017 -1.451 111 HB2 LEU 60 HB2 LEU 60 -4.969 5.911 -2.855 112 HB3 LEU 60 HB3 LEU 60 -5.170 7.040 -1.534 113 HG LEU 60 HG LEU 60 -3.097 6.279 -0.464 114 HD11 LEU 60 HD11 LEU 60 -2.851 4.399 -2.876 115 HD12 LEU 60 HD12 LEU 60 -2.961 3.938 -1.161 116 HD13 LEU 60 HD13 LEU 60 -1.540 4.785 -1.735 117 HD21 LEU 60 HD21 LEU 60 -1.580 7.152 -2.245 118 HD22 LEU 60 HD22 LEU 60 -3.057 8.113 -2.101 119 HD23 LEU 60 HD23 LEU 60 -2.869 6.947 -3.434 120 H GLY 61 H GLY 61 -6.524 6.499 0.886 121 HA2 GLY 61 HA2 GLY 61 -4.517 5.803 2.910 122 HA3 GLY 61 HA3 GLY 61 -5.870 6.962 3.026 123 H GLY 62 H GLY 62 -8.037 5.323 2.468 124 HA2 GLY 62 HA2 GLY 62 -8.538 3.910 4.917 125 HA3 GLY 62 HA3 GLY 62 -9.512 3.834 3.423 126 H MET 63 H MET 63 -7.725 2.747 1.585 127 HA MET 63 HA MET 63 -7.538 -0.020 2.337 128 HB2 MET 63 HB2 MET 63 -7.932 0.949 0.054 129 HB3 MET 63 HB3 MET 63 -6.234 1.418 -0.023 130 HG2 MET 63 HG2 MET 63 -5.553 -0.917 0.139 131 HG3 MET 63 HG3 MET 63 -7.205 -1.443 0.425 132 HE1 MET 63 HE1 MET 63 -8.972 -1.875 -1.329 133 HE2 MET 63 HE2 MET 63 -9.064 -0.121 -1.619 134 HE3 MET 63 HE3 MET 63 -8.952 -1.246 -2.985 135 H ALA 64 H ALA 64 -5.297 2.593 2.803 136 HA ALA 64 HA ALA 64 -3.097 0.764 3.564 137 HB1 ALA 64 HB1 ALA 64 -2.656 2.806 2.150 138 HB2 ALA 64 HB2 ALA 64 -3.191 3.810 3.527 139 HB3 ALA 64 HB3 ALA 64 -1.751 2.768 3.654 140 H SER 65 H SER 65 -5.721 0.967 5.097 141 HA SER 65 HA SER 65 -4.543 1.409 7.774 142 HB2 SER 65 HB2 SER 65 -7.161 2.638 6.824 143 HB3 SER 65 HB3 SER 65 -6.562 2.635 8.489 144 HG SER 65 HG SER 65 -5.499 3.951 6.231 145 H GLY 66 H GLY 66 -6.413 0.718 9.449 146 HA2 GLY 66 HA2 GLY 66 -7.551 -1.108 10.354 147 HA3 GLY 66 HA3 GLY 66 -7.916 -1.641 8.694 148 HA PRO 67 HA PRO 67 -4.931 -4.487 10.771 149 HB2 PRO 67 HB2 PRO 67 -6.014 -6.897 10.098 150 HB3 PRO 67 HB3 PRO 67 -6.666 -5.870 11.401 151 HG2 PRO 67 HG2 PRO 67 -7.615 -6.056 8.517 152 HG3 PRO 67 HG3 PRO 67 -8.593 -6.142 10.013 153 HD2 PRO 67 HD2 PRO 67 -8.327 -3.827 8.615 154 HD3 PRO 67 HD3 PRO 67 -8.384 -3.815 10.410 155 H CYS 68 H CYS 68 -5.703 -4.225 7.343 156 HA CYS 68 HA CYS 68 -3.099 -5.571 6.721 157 HB2 CYS 68 HB2 CYS 68 -5.438 -4.929 4.885 158 HB3 CYS 68 HB3 CYS 68 -3.901 -5.639 4.379 159 H GLY 69 H GLY 69 -3.862 -2.660 7.691 160 HA2 GLY 69 HA2 GLY 69 -3.384 -0.865 5.580 161 HA3 GLY 69 HA3 GLY 69 -3.162 -0.516 7.311 162 H GLU 70 H GLU 70 -1.058 -1.684 8.190 163 HA GLU 70 HA GLU 70 1.249 -0.608 7.223 164 HB2 GLU 70 HB2 GLU 70 0.886 -3.300 8.645 165 HB3 GLU 70 HB3 GLU 70 2.450 -2.549 8.324 166 HG2 GLU 70 HG2 GLU 70 2.118 -1.859 10.461 167 HG3 GLU 70 HG3 GLU 70 1.527 -0.475 9.583 168 H GLN 71 H GLN 71 -0.267 -3.448 5.720 169 HA GLN 71 HA GLN 71 2.185 -4.265 4.310 170 HB2 GLN 71 HB2 GLN 71 -0.697 -5.165 3.921 171 HB3 GLN 71 HB3 GLN 71 0.738 -5.900 3.188 172 HG2 GLN 71 HG2 GLN 71 0.147 -5.888 6.182 173 HG3 GLN 71 HG3 GLN 71 -0.215 -7.188 5.082 174 HE21 GLN 71 HE21 GLN 71 1.178 -8.477 6.679 175 HE22 GLN 71 HE22 GLN 71 2.896 -8.442 6.368 176 H PHE 72 H PHE 72 -0.890 -2.516 3.494 177 HA PHE 72 HA PHE 72 0.097 -2.059 0.780 178 HB2 PHE 72 HB2 PHE 72 -2.348 -2.192 1.399 179 HB3 PHE 72 HB3 PHE 72 -2.187 -0.652 2.197 180 HD1 PHE 72 HD1 PHE 72 -0.904 -1.950 -1.141 181 HD2 PHE 72 HD2 PHE 72 -3.367 0.923 0.906 182 HE1 PHE 72 HE1 PHE 72 -1.456 -0.886 -3.295 183 HE2 PHE 72 HE2 PHE 72 -3.963 1.947 -1.251 184 HZ PHE 72 HZ PHE 72 -2.983 1.080 -3.367 185 H LYS 73 H LYS 73 0.247 -0.288 3.844 186 HA LYS 73 HA LYS 73 1.384 2.180 2.927 187 HB2 LYS 73 HB2 LYS 73 1.899 0.513 5.422 188 HB3 LYS 73 HB3 LYS 73 2.585 2.095 5.193 189 HG2 LYS 73 HG2 LYS 73 -0.424 1.682 5.147 190 HG3 LYS 73 HG3 LYS 73 0.477 1.864 6.664 191 HD2 LYS 73 HD2 LYS 73 1.325 4.057 5.928 192 HD3 LYS 73 HD3 LYS 73 0.529 3.838 4.374 193 HE2 LYS 73 HE2 LYS 73 -0.698 5.408 5.754 194 HE3 LYS 73 HE3 LYS 73 -1.677 3.986 5.369 195 HZ1 LYS 73 HZ1 LYS 73 -1.269 3.165 7.583 196 HZ2 LYS 73 HZ2 LYS 73 -1.889 4.678 7.657 197 HZ3 LYS 73 HZ3 LYS 73 -0.288 4.483 7.935 198 H SER 74 H SER 74 2.909 -0.992 3.621 199 HA SER 74 HA SER 74 5.586 -0.114 2.892 200 HB2 SER 74 HB2 SER 74 4.965 -1.962 4.527 201 HB3 SER 74 HB3 SER 74 4.585 -2.977 3.116 202 HG SER 74 HG SER 74 6.814 -2.364 2.410 203 H ALA 75 H ALA 75 2.980 -1.874 1.114 204 HA ALA 75 HA ALA 75 4.575 -2.528 -1.187 205 HB1 ALA 75 HB1 ALA 75 2.370 -2.978 -2.213 206 HB2 ALA 75 HB2 ALA 75 2.406 -3.613 -0.566 207 HB3 ALA 75 HB3 ALA 75 1.561 -2.095 -0.916 208 H PHE 76 H PHE 76 2.261 0.183 -0.665 209 HA PHE 76 HA PHE 76 2.811 1.294 -3.249 210 HB2 PHE 76 HB2 PHE 76 0.717 1.459 -1.604 211 HB3 PHE 76 HB3 PHE 76 1.523 2.922 -1.068 212 HD1 PHE 76 HD1 PHE 76 0.153 1.095 -4.030 213 HD2 PHE 76 HD2 PHE 76 1.374 4.922 -2.480 214 HE1 PHE 76 HE1 PHE 76 -0.843 2.217 -6.007 215 HE2 PHE 76 HE2 PHE 76 0.369 6.045 -4.446 216 HZ PHE 76 HZ PHE 76 -0.744 4.696 -6.216 217 H SER 77 H SER 77 4.227 1.991 -0.028 218 HA SER 77 HA SER 77 5.774 4.285 -0.952 219 HB2 SER 77 HB2 SER 77 7.209 3.852 0.999 220 HB3 SER 77 HB3 SER 77 5.495 4.020 1.416 221 HG SER 77 HG SER 77 5.399 2.018 2.001 222 H CYS 78 H CYS 78 6.701 0.788 -0.535 223 HA CYS 78 HA CYS 78 9.227 1.024 -1.708 224 HB2 CYS 78 HB2 CYS 78 8.261 -0.933 -0.531 225 HB3 CYS 78 HB3 CYS 78 7.300 -1.314 -1.962 226 H PHE 79 H PHE 79 6.119 0.491 -3.532 227 HA PHE 79 HA PHE 79 7.429 0.519 -6.093 228 HB2 PHE 79 HB2 PHE 79 5.188 -0.342 -5.923 229 HB3 PHE 79 HB3 PHE 79 4.589 1.177 -5.254 230 HD1 PHE 79 HD1 PHE 79 6.458 -0.018 -8.336 231 HD2 PHE 79 HD2 PHE 79 3.494 2.665 -6.702 232 HE1 PHE 79 HE1 PHE 79 6.022 0.885 -10.605 233 HE2 PHE 79 HE2 PHE 79 3.088 3.590 -8.969 234 HZ PHE 79 HZ PHE 79 4.350 2.697 -10.924 235 H HIS 80 H HIS 80 6.047 3.231 -4.169 236 HA HIS 80 HA HIS 80 6.541 5.238 -6.202 237 HB2 HIS 80 HB2 HIS 80 4.898 5.569 -4.425 238 HB3 HIS 80 HB3 HIS 80 6.136 5.394 -3.186 239 HD1 HIS 80 HD1 HIS 80 7.328 7.661 -2.465 240 HD2 HIS 80 HD2 HIS 80 5.313 7.825 -6.154 241 HE1 HIS 80 HE1 HIS 80 7.395 10.078 -3.217 242 H TYR 81 H TYR 81 8.640 3.900 -3.666 243 HA TYR 81 HA TYR 81 10.694 5.962 -4.102 244 HB2 TYR 81 HB2 TYR 81 10.380 3.595 -2.234 245 HB3 TYR 81 HB3 TYR 81 11.889 4.483 -2.381 246 HD1 TYR 81 HD2 TYR 81 8.281 5.691 -2.115 247 HD2 TYR 81 HD1 TYR 81 12.255 5.704 -0.451 248 HE1 TYR 81 HE2 TYR 81 7.545 7.302 -0.378 249 HE2 TYR 81 HE1 TYR 81 11.508 7.292 1.297 250 HH TYR 81 HH TYR 81 9.711 8.411 2.228 251 H SER 82 H SER 82 10.162 2.543 -4.973 252 HA SER 82 HA SER 82 12.720 2.100 -6.211 253 HB2 SER 82 HB2 SER 82 11.169 0.279 -5.667 254 HB3 SER 82 HB3 SER 82 9.955 0.949 -6.767 255 HG SER 82 HG SER 82 12.438 -0.254 -7.439 256 H THR 83 H THR 83 9.727 3.562 -7.458 257 HA THR 83 HA THR 83 9.207 4.902 -9.179 258 HB THR 83 HB THR 83 10.817 6.462 -10.107 259 HG1 THR 83 HG1 THR 83 12.604 4.681 -8.933 260 HG21 THR 83 HG21 THR 83 11.520 7.574 -8.051 261 HG22 THR 83 HG22 THR 83 11.137 6.115 -7.107 262 HG23 THR 83 HG23 THR 83 9.845 6.999 -7.951 263 H GLU 84 H GLU 84 11.151 2.285 -9.935 264 HA GLU 84 HA GLU 84 11.943 2.454 -12.466 265 HB2 GLU 84 HB2 GLU 84 10.671 0.021 -11.160 266 HB3 GLU 84 HB3 GLU 84 11.553 -0.021 -12.696 267 HG2 GLU 84 HG2 GLU 84 13.563 0.927 -11.549 268 HG3 GLU 84 HG3 GLU 84 12.710 0.799 -10.014 269 H GLU 85 H GLU 85 8.781 0.649 -12.250 270 HA GLU 85 HA GLU 85 7.607 2.148 -14.421 271 HB2 GLU 85 HB2 GLU 85 9.538 0.968 -15.570 272 HB3 GLU 85 HB3 GLU 85 8.759 -0.562 -15.217 273 HG2 GLU 85 HG2 GLU 85 6.942 -0.087 -16.696 274 HG3 GLU 85 HG3 GLU 85 7.264 1.656 -16.665 275 H ILE 86 H ILE 86 7.640 -1.317 -13.345 276 HA ILE 86 HA ILE 86 4.725 -1.414 -13.799 277 HB ILE 86 HB ILE 86 6.671 -3.619 -13.020 278 HG12 ILE 86 HG12 ILE 86 7.317 -2.781 -15.198 279 HG13 ILE 86 HG13 ILE 86 6.562 -4.350 -15.364 280 HG21 ILE 86 HG21 ILE 86 3.773 -3.730 -13.955 281 HG22 ILE 86 HG22 ILE 86 4.858 -5.138 -13.868 282 HG23 ILE 86 HG23 ILE 86 4.431 -4.270 -12.395 283 HD11 ILE 86 HD11 ILE 86 4.479 -3.305 -16.188 284 HD12 ILE 86 HD12 ILE 86 5.187 -1.686 -15.966 285 HD13 ILE 86 HD13 ILE 86 5.877 -2.800 -17.152 286 H LYS 87 H LYS 87 3.161 -1.626 -12.292 287 HA LYS 87 HA LYS 87 3.449 -0.676 -9.686 288 HB2 LYS 87 HB2 LYS 87 1.351 -2.570 -10.796 289 HB3 LYS 87 HB3 LYS 87 1.177 -1.642 -9.309 290 HG2 LYS 87 HG2 LYS 87 1.469 -0.420 -12.098 291 HG3 LYS 87 HG3 LYS 87 -0.054 -0.721 -11.280 292 HD2 LYS 87 HD2 LYS 87 0.573 0.848 -9.461 293 HD3 LYS 87 HD3 LYS 87 2.132 1.114 -10.247 294 HE2 LYS 87 HE2 LYS 87 0.757 2.991 -10.786 295 HE3 LYS 87 HE3 LYS 87 0.969 2.034 -12.254 296 HZ1 LYS 87 HZ1 LYS 87 -1.346 2.705 -11.992 297 HZ2 LYS 87 HZ2 LYS 87 -1.446 2.028 -10.510 298 HZ3 LYS 87 HZ3 LYS 87 -1.254 1.085 -11.840 299 H GLY 88 H GLY 88 5.045 -1.495 -8.466 300 HA2 GLY 88 HA2 GLY 88 5.501 -2.791 -6.521 301 HA3 GLY 88 HA3 GLY 88 4.681 -4.198 -7.235 302 H SER 89 H SER 89 6.763 -2.851 -9.546 303 HA SER 89 HA SER 89 8.426 -4.470 -10.401 304 HB2 SER 89 HB2 SER 89 8.608 -1.957 -10.473 305 HB3 SER 89 HB3 SER 89 9.752 -2.061 -9.121 306 HG SER 89 HG SER 89 11.200 -2.515 -10.603 307 H ASP 90 H ASP 90 10.913 -3.365 -8.271 308 HA ASP 90 HA ASP 90 11.723 -6.042 -7.555 309 HB2 ASP 90 HB2 ASP 90 12.789 -3.316 -7.416 310 HB3 ASP 90 HB3 ASP 90 13.089 -4.143 -5.915 311 H CYS 91 H CYS 91 9.115 -4.616 -6.422 312 HA CYS 91 HA CYS 91 9.446 -5.089 -3.495 313 HB2 CYS 91 HB2 CYS 91 7.439 -3.403 -5.049 314 HB3 CYS 91 HB3 CYS 91 7.532 -3.502 -3.312 315 H VAL 92 H VAL 92 8.319 -6.802 -5.952 316 HA VAL 92 HA VAL 92 5.719 -7.414 -5.799 317 HB VAL 92 HB VAL 92 7.323 -8.380 -7.378 318 HG11 VAL 92 HG11 VAL 92 8.513 -10.461 -6.967 319 HG12 VAL 92 HG12 VAL 92 9.053 -9.230 -5.817 320 HG13 VAL 92 HG13 VAL 92 7.936 -10.515 -5.293 321 HG21 VAL 92 HG21 VAL 92 4.994 -9.236 -7.263 322 HG22 VAL 92 HG22 VAL 92 6.152 -10.439 -7.852 323 HG23 VAL 92 HG23 VAL 92 5.547 -10.543 -6.193 324 H ASP 93 H ASP 93 7.974 -8.520 -3.336 325 HA ASP 93 HA ASP 93 6.370 -10.538 -2.082 326 HB2 ASP 93 HB2 ASP 93 8.547 -8.737 -0.956 327 HB3 ASP 93 HB3 ASP 93 7.888 -10.159 -0.144 328 H GLN 94 H GLN 94 6.395 -7.030 -1.764 329 HA GLN 94 HA GLN 94 4.767 -7.020 0.699 330 HB2 GLN 94 HB2 GLN 94 5.685 -4.800 -1.194 331 HB3 GLN 94 HB3 GLN 94 4.599 -4.542 0.173 332 HG2 GLN 94 HG2 GLN 94 6.778 -3.941 0.890 333 HG3 GLN 94 HG3 GLN 94 6.315 -5.411 1.741 334 HE21 GLN 94 HE21 GLN 94 8.279 -4.225 -1.091 335 HE22 GLN 94 HE22 GLN 94 9.427 -5.578 -0.956 336 H PHE 95 H PHE 95 4.133 -6.593 -2.819 337 HA PHE 95 HA PHE 95 1.326 -6.010 -2.466 338 HB2 PHE 95 HB2 PHE 95 2.988 -6.974 -4.810 339 HB3 PHE 95 HB3 PHE 95 1.247 -6.706 -4.916 340 HD1 PHE 95 HD2 PHE 95 4.492 -4.966 -4.121 341 HD2 PHE 95 HD1 PHE 95 0.330 -4.522 -5.179 342 HE1 PHE 95 HE2 PHE 95 4.809 -2.510 -4.337 343 HE2 PHE 95 HE1 PHE 95 0.658 -2.076 -5.462 344 HZ PHE 95 HZ PHE 95 2.901 -1.073 -5.035 345 H ARG 96 H ARG 96 3.200 -8.961 -2.926 346 HA ARG 96 HA ARG 96 1.077 -10.888 -2.867 347 HB2 ARG 96 HB2 ARG 96 3.240 -11.437 -3.672 348 HB3 ARG 96 HB3 ARG 96 4.041 -10.989 -2.183 349 HG2 ARG 96 HG2 ARG 96 3.330 -12.918 -1.036 350 HG3 ARG 96 HG3 ARG 96 2.007 -13.215 -2.175 351 HD2 ARG 96 HD2 ARG 96 3.805 -14.843 -2.457 352 HD3 ARG 96 HD3 ARG 96 3.509 -13.910 -3.924 353 HE ARG 96 HE ARG 96 5.663 -12.690 -2.477 354 HH11 ARG 96 HH11 ARG 96 5.047 -15.737 -4.166 355 HH12 ARG 96 HH12 ARG 96 6.691 -15.826 -4.746 356 HH21 ARG 96 HH21 ARG 96 7.812 -12.947 -3.168 357 HH22 ARG 96 HH22 ARG 96 8.229 -14.302 -4.156 358 H ALA 97 H ALA 97 3.060 -9.575 -0.108 359 HA ALA 97 HA ALA 97 1.640 -10.914 1.972 360 HB1 ALA 97 HB1 ALA 97 3.124 -8.257 2.038 361 HB2 ALA 97 HB2 ALA 97 2.723 -9.269 3.432 362 HB3 ALA 97 HB3 ALA 97 3.875 -9.860 2.218 363 H MET 98 H MET 98 1.048 -7.703 0.484 364 HA MET 98 HA MET 98 -1.219 -7.010 2.086 365 HB2 MET 98 HB2 MET 98 0.087 -5.471 0.602 366 HB3 MET 98 HB3 MET 98 -0.582 -6.290 -0.803 367 HG2 MET 98 HG2 MET 98 -2.861 -5.592 0.709 368 HG3 MET 98 HG3 MET 98 -1.754 -4.267 0.958 369 HE1 MET 98 HE1 MET 98 -2.318 -6.589 -2.298 370 HE2 MET 98 HE2 MET 98 -3.877 -6.351 -1.452 371 HE3 MET 98 HE3 MET 98 -3.608 -5.619 -3.050 372 H GLN 99 H GLN 99 -1.055 -8.785 -1.039 373 HA GLN 99 HA GLN 99 -3.900 -9.081 -1.303 374 HB2 GLN 99 HB2 GLN 99 -2.362 -9.118 -3.191 375 HB3 GLN 99 HB3 GLN 99 -1.586 -10.582 -2.621 376 HG2 GLN 99 HG2 GLN 99 -3.505 -11.934 -3.081 377 HG3 GLN 99 HG3 GLN 99 -4.571 -10.511 -3.137 378 HE21 GLN 99 HE21 GLN 99 -5.425 -10.556 -5.181 379 HE22 GLN 99 HE22 GLN 99 -4.432 -10.568 -6.628 380 H GLU 100 H GLU 100 -1.475 -11.356 0.163 381 HA GLU 100 HA GLU 100 -3.530 -13.335 0.676 382 HB2 GLU 100 HB2 GLU 100 -1.977 -14.528 1.917 383 HB3 GLU 100 HB3 GLU 100 -1.132 -13.851 0.579 384 HG2 GLU 100 HG2 GLU 100 0.455 -13.433 2.112 385 HG3 GLU 100 HG3 GLU 100 -0.453 -11.951 2.327 386 H CYS 101 H CYS 101 -2.203 -10.622 2.666 387 HA CYS 101 HA CYS 101 -3.787 -11.058 4.948 388 HB2 CYS 101 HB2 CYS 101 -1.957 -9.413 4.702 389 HB3 CYS 101 HB3 CYS 101 -2.990 -8.373 3.729 390 H MET 102 H MET 102 -4.729 -9.164 2.034 391 HA MET 102 HA MET 102 -7.230 -8.276 3.172 392 HB2 MET 102 HB2 MET 102 -6.163 -8.202 0.313 393 HB3 MET 102 HB3 MET 102 -7.697 -7.507 0.800 394 HG2 MET 102 HG2 MET 102 -6.467 -6.191 2.587 395 HG3 MET 102 HG3 MET 102 -4.980 -6.721 1.848 396 HE1 MET 102 HE1 MET 102 -7.983 -3.678 0.208 397 HE2 MET 102 HE2 MET 102 -8.482 -5.305 0.775 398 HE3 MET 102 HE3 MET 102 -7.758 -4.133 1.917 399 H GLN 103 H GLN 103 -6.669 -11.405 2.046 400 HA GLN 103 HA GLN 103 -9.626 -11.728 1.651 401 HB2 GLN 103 HB2 GLN 103 -9.211 -13.958 0.785 402 HB3 GLN 103 HB3 GLN 103 -8.505 -12.627 -0.180 403 HG2 GLN 103 HG2 GLN 103 -6.934 -14.324 -0.272 404 HG3 GLN 103 HG3 GLN 103 -6.244 -13.211 0.844 405 HE21 GLN 103 HE21 GLN 103 -5.163 -14.388 2.437 406 HE22 GLN 103 HE22 GLN 103 -5.741 -15.926 3.044 407 H LYS 104 H LYS 104 -7.038 -12.522 4.024 408 HA LYS 104 HA LYS 104 -8.827 -14.251 5.529 409 HB2 LYS 104 HB2 LYS 104 -6.249 -12.802 6.205 410 HB3 LYS 104 HB3 LYS 104 -7.218 -13.576 7.450 411 HG2 LYS 104 HG2 LYS 104 -7.133 -15.701 5.898 412 HG3 LYS 104 HG3 LYS 104 -5.777 -14.861 5.112 413 HD2 LYS 104 HD2 LYS 104 -4.904 -16.376 6.761 414 HD3 LYS 104 HD3 LYS 104 -4.632 -14.740 7.344 415 HE2 LYS 104 HE2 LYS 104 -6.579 -14.929 8.874 416 HE3 LYS 104 HE3 LYS 104 -6.986 -16.510 8.182 417 HZ1 LYS 104 HZ1 LYS 104 -4.907 -17.373 9.040 418 HZ2 LYS 104 HZ2 LYS 104 -5.776 -16.739 10.271 419 HZ3 LYS 104 HZ3 LYS 104 -4.490 -15.927 9.672 420 H TYR 105 H TYR 105 -8.652 -10.841 5.195 421 HA TYR 105 HA TYR 105 -10.782 -10.534 7.293 422 HB2 TYR 105 HB2 TYR 105 -8.612 -8.514 6.653 423 HB3 TYR 105 HB3 TYR 105 -9.877 -8.384 7.887 424 HD1 TYR 105 HD1 TYR 105 -9.764 -10.862 9.423 425 HD2 TYR 105 HD2 TYR 105 -6.573 -8.576 7.696 426 HE1 TYR 105 HE1 TYR 105 -8.234 -11.644 11.196 427 HE2 TYR 105 HE2 TYR 105 -5.052 -9.335 9.465 428 HH TYR 105 HH TYR 105 -4.849 -10.509 11.395 429 HA PRO 106 HA PRO 106 -12.218 -9.205 3.144 430 HB2 PRO 106 HB2 PRO 106 -14.672 -10.414 3.025 431 HB3 PRO 106 HB3 PRO 106 -13.074 -11.314 2.818 432 HG2 PRO 106 HG2 PRO 106 -14.769 -11.075 5.339 433 HG3 PRO 106 HG3 PRO 106 -14.081 -12.541 4.605 434 HD2 PRO 106 HD2 PRO 106 -12.826 -11.233 6.637 435 HD3 PRO 106 HD3 PRO 106 -11.920 -11.996 5.325 436 H ASP 107 H ASP 107 -14.518 -9.032 5.941 437 HA ASP 107 HA ASP 107 -15.025 -6.191 5.393 438 HB2 ASP 107 HB2 ASP 107 -16.471 -7.842 3.840 439 HB3 ASP 107 HB3 ASP 107 -17.490 -7.943 5.263 440 H LEU 108 H LEU 108 -14.440 -8.331 7.749 441 HA LEU 108 HA LEU 108 -16.631 -7.863 9.582 442 HB2 LEU 108 HB2 LEU 108 -15.424 -9.098 11.177 443 HB3 LEU 108 HB3 LEU 108 -15.258 -9.882 9.616 444 HG LEU 108 HG LEU 108 -13.252 -10.148 10.805 445 HD11 LEU 108 HD11 LEU 108 -12.971 -9.677 8.388 446 HD12 LEU 108 HD12 LEU 108 -11.552 -9.257 9.359 447 HD13 LEU 108 HD13 LEU 108 -12.621 -7.974 8.772 448 HD21 LEU 108 HD21 LEU 108 -12.824 -7.159 11.137 449 HD22 LEU 108 HD22 LEU 108 -11.844 -8.488 11.763 450 HD23 LEU 108 HD23 LEU 108 -13.475 -8.230 12.397 451 H TYR 109 H TYR 109 -14.203 -5.753 8.689 452 HA TYR 109 HA TYR 109 -14.145 -4.176 11.168 453 HB2 TYR 109 HB2 TYR 109 -12.395 -2.885 9.782 454 HB3 TYR 109 HB3 TYR 109 -11.985 -4.489 10.401 455 HD1 TYR 109 HD1 TYR 109 -13.581 -3.067 7.256 456 HD2 TYR 109 HD2 TYR 109 -10.791 -5.848 8.972 457 HE1 TYR 109 HE1 TYR 109 -13.000 -3.888 4.979 458 HE2 TYR 109 HE2 TYR 109 -10.138 -6.576 6.676 459 HH TYR 109 HH TYR 109 -10.762 -6.600 4.466 Start of MODEL 19 1 H GLY 45 H GLY 45 0.002 15.597 -4.979 2 HA2 GLY 45 HA2 GLY 45 -2.706 14.995 -5.984 3 HA3 GLY 45 HA3 GLY 45 -1.206 14.331 -6.676 4 H LEU 46 H LEU 46 -1.649 12.113 -6.081 5 HA LEU 46 HA LEU 46 -2.332 11.291 -3.466 6 HB2 LEU 46 HB2 LEU 46 -1.861 9.090 -4.246 7 HB3 LEU 46 HB3 LEU 46 -2.535 10.005 -5.564 8 HG LEU 46 HG LEU 46 0.176 10.345 -6.028 9 HD11 LEU 46 HD11 LEU 46 -0.187 7.489 -4.989 10 HD12 LEU 46 HD12 LEU 46 0.690 8.763 -4.130 11 HD13 LEU 46 HD13 LEU 46 1.282 8.186 -5.700 12 HD21 LEU 46 HD21 LEU 46 -0.077 8.606 -7.761 13 HD22 LEU 46 HD22 LEU 46 -1.473 9.695 -7.705 14 HD23 LEU 46 HD23 LEU 46 -1.594 8.063 -7.007 15 H ILE 47 H ILE 47 0.764 12.369 -4.582 16 HA ILE 47 HA ILE 47 2.257 11.285 -2.271 17 HB ILE 47 HB ILE 47 3.075 12.941 -4.690 18 HG12 ILE 47 HG12 ILE 47 2.421 10.706 -5.373 19 HG13 ILE 47 HG13 ILE 47 4.155 10.887 -5.506 20 HG21 ILE 47 HG21 ILE 47 4.789 11.790 -2.459 21 HG22 ILE 47 HG22 ILE 47 5.429 12.225 -4.059 22 HG23 ILE 47 HG23 ILE 47 4.685 13.463 -3.065 23 HD11 ILE 47 HD11 ILE 47 2.680 9.409 -3.278 24 HD12 ILE 47 HD12 ILE 47 3.583 8.687 -4.613 25 HD13 ILE 47 HD13 ILE 47 4.440 9.614 -3.369 26 H LEU 48 H LEU 48 3.151 12.422 -0.601 27 HA LEU 48 HA LEU 48 2.182 15.158 -0.022 28 HB2 LEU 48 HB2 LEU 48 3.875 13.122 1.496 29 HB3 LEU 48 HB3 LEU 48 3.617 14.737 2.069 30 HG LEU 48 HG LEU 48 1.277 12.894 1.559 31 HD11 LEU 48 HD11 LEU 48 2.871 13.269 4.138 32 HD12 LEU 48 HD12 LEU 48 2.806 11.792 3.153 33 HD13 LEU 48 HD13 LEU 48 1.350 12.361 3.979 34 HD21 LEU 48 HD21 LEU 48 0.223 14.431 3.263 35 HD22 LEU 48 HD22 LEU 48 0.698 15.273 1.779 36 HD23 LEU 48 HD23 LEU 48 1.692 15.417 3.249 37 HA PRO 49 HA PRO 49 5.864 17.011 -1.642 38 HB2 PRO 49 HB2 PRO 49 6.430 19.071 0.109 39 HB3 PRO 49 HB3 PRO 49 5.102 19.095 -1.086 40 HG2 PRO 49 HG2 PRO 49 4.955 18.343 1.853 41 HG3 PRO 49 HG3 PRO 49 3.884 19.451 0.938 42 HD2 PRO 49 HD2 PRO 49 3.168 16.887 1.399 43 HD3 PRO 49 HD3 PRO 49 2.827 17.640 -0.191 44 H ASN 50 H ASN 50 6.007 15.919 1.744 45 HA ASN 50 HA ASN 50 8.912 15.844 1.805 46 HB2 ASN 50 HB2 ASN 50 8.562 14.938 4.060 47 HB3 ASN 50 HB3 ASN 50 7.642 16.413 3.793 48 HD21 ASN 50 HD21 ASN 50 7.422 13.025 4.579 49 HD22 ASN 50 HD22 ASN 50 5.679 13.027 4.773 50 H GLY 51 H GLY 51 7.195 14.051 -0.146 51 HA2 GLY 51 HA2 GLY 51 8.015 12.284 -1.407 52 HA3 GLY 51 HA3 GLY 51 9.249 11.950 -0.152 53 H ASN 52 H ASN 52 7.044 11.706 1.911 54 HA ASN 52 HA ASN 52 6.275 8.943 1.501 55 HB2 ASN 52 HB2 ASN 52 6.767 10.330 3.699 56 HB3 ASN 52 HB3 ASN 52 5.048 10.701 3.622 57 HD21 ASN 52 HD21 ASN 52 6.834 8.980 5.485 58 HD22 ASN 52 HD22 ASN 52 5.931 7.471 5.565 59 H ILE 53 H ILE 53 3.669 8.524 1.961 60 HA ILE 53 HA ILE 53 2.367 9.857 -0.403 61 HB ILE 53 HB ILE 53 1.928 7.105 0.726 62 HG12 ILE 53 HG12 ILE 53 3.612 8.098 -1.592 63 HG13 ILE 53 HG13 ILE 53 4.103 7.101 -0.238 64 HG21 ILE 53 HG21 ILE 53 0.812 8.328 -1.818 65 HG22 ILE 53 HG22 ILE 53 0.576 6.653 -1.267 66 HG23 ILE 53 HG23 ILE 53 -0.099 7.952 -0.329 67 HD11 ILE 53 HD11 ILE 53 2.407 6.209 -2.589 68 HD12 ILE 53 HD12 ILE 53 4.075 5.766 -2.231 69 HD13 ILE 53 HD13 ILE 53 2.775 5.201 -1.163 70 H ASN 54 H ASN 54 0.112 10.432 -0.275 71 HA ASN 54 HA ASN 54 -0.457 11.547 2.343 72 HB2 ASN 54 HB2 ASN 54 -0.719 12.773 0.179 73 HB3 ASN 54 HB3 ASN 54 -2.068 11.724 -0.227 74 HD21 ASN 54 HD21 ASN 54 -4.101 12.147 0.749 75 HD22 ASN 54 HD22 ASN 54 -4.350 13.573 1.756 76 H TRP 55 H TRP 55 -0.626 9.438 3.408 77 HA TRP 55 HA TRP 55 -2.773 7.642 3.104 78 HB2 TRP 55 HB2 TRP 55 -1.284 8.215 5.677 79 HB3 TRP 55 HB3 TRP 55 -2.034 6.707 5.189 80 HD1 TRP 55 HD1 TRP 55 1.174 8.056 5.711 81 HE1 TRP 55 HE1 TRP 55 3.028 6.959 4.323 82 HE3 TRP 55 HE3 TRP 55 -1.687 5.698 2.138 83 HZ2 TRP 55 HZ2 TRP 55 3.253 4.994 2.252 84 HZ3 TRP 55 HZ3 TRP 55 -0.589 4.263 0.431 85 HH2 TRP 55 HH2 TRP 55 1.867 3.893 0.484 86 H ASN 56 H ASN 56 -3.873 10.392 3.266 87 HA ASN 56 HA ASN 56 -6.068 9.640 5.056 88 HB2 ASN 56 HB2 ASN 56 -4.302 11.423 6.102 89 HB3 ASN 56 HB3 ASN 56 -5.388 12.540 5.275 90 HD21 ASN 56 HD21 ASN 56 -7.857 11.997 5.720 91 HD22 ASN 56 HD22 ASN 56 -8.243 11.480 7.347 92 H CYS 57 H CYS 57 -5.296 10.237 2.053 93 HA CYS 57 HA CYS 57 -7.525 11.938 1.138 94 HB2 CYS 57 HB2 CYS 57 -5.174 10.565 -0.017 95 HB3 CYS 57 HB3 CYS 57 -6.626 10.187 -0.940 96 HG CYS 57 HG CYS 57 -5.646 13.276 -0.054 97 HA PRO 58 HA PRO 58 -10.794 9.163 1.519 98 HB2 PRO 58 HB2 PRO 58 -12.108 8.901 -0.921 99 HB3 PRO 58 HB3 PRO 58 -12.192 10.320 0.165 100 HG2 PRO 58 HG2 PRO 58 -10.406 9.927 -2.254 101 HG3 PRO 58 HG3 PRO 58 -11.377 11.363 -1.806 102 HD2 PRO 58 HD2 PRO 58 -8.735 11.250 -1.278 103 HD3 PRO 58 HD3 PRO 58 -9.855 11.972 -0.088 104 H CYS 59 H CYS 59 -10.098 7.886 -1.805 105 HA CYS 59 HA CYS 59 -10.194 5.188 -0.985 106 HB2 CYS 59 HB2 CYS 59 -8.745 6.427 -3.388 107 HB3 CYS 59 HB3 CYS 59 -9.218 4.729 -3.212 108 HG CYS 59 HG CYS 59 -10.906 5.740 -4.851 109 H LEU 60 H LEU 60 -7.347 7.227 -1.539 110 HA LEU 60 HA LEU 60 -5.337 5.301 -1.093 111 HB2 LEU 60 HB2 LEU 60 -5.234 7.588 -2.225 112 HB3 LEU 60 HB3 LEU 60 -5.279 8.308 -0.615 113 HG LEU 60 HG LEU 60 -3.080 7.249 -0.086 114 HD11 LEU 60 HD11 LEU 60 -1.745 6.287 -1.941 115 HD12 LEU 60 HD12 LEU 60 -3.142 6.407 -3.029 116 HD13 LEU 60 HD13 LEU 60 -3.177 5.304 -1.640 117 HD21 LEU 60 HD21 LEU 60 -3.312 8.963 -2.592 118 HD22 LEU 60 HD22 LEU 60 -1.809 8.728 -1.679 119 HD23 LEU 60 HD23 LEU 60 -3.191 9.539 -0.931 120 H GLY 61 H GLY 61 -7.157 7.133 1.289 121 HA2 GLY 61 HA2 GLY 61 -5.363 6.441 3.544 122 HA3 GLY 61 HA3 GLY 61 -6.853 7.417 3.590 123 H GLY 62 H GLY 62 -8.763 5.759 2.435 124 HA2 GLY 62 HA2 GLY 62 -9.426 3.977 4.537 125 HA3 GLY 62 HA3 GLY 62 -10.139 3.943 2.910 126 H MET 63 H MET 63 -7.804 3.257 1.437 127 HA MET 63 HA MET 63 -7.428 0.421 1.928 128 HB2 MET 63 HB2 MET 63 -5.967 2.399 0.131 129 HB3 MET 63 HB3 MET 63 -5.751 0.647 0.084 130 HG2 MET 63 HG2 MET 63 -8.438 2.001 -0.362 131 HG3 MET 63 HG3 MET 63 -7.310 1.629 -1.659 132 HE1 MET 63 HE1 MET 63 -10.555 0.574 -0.660 133 HE2 MET 63 HE2 MET 63 -9.912 0.745 -2.307 134 HE3 MET 63 HE3 MET 63 -10.523 -0.833 -1.733 135 H ALA 64 H ALA 64 -5.807 3.197 3.288 136 HA ALA 64 HA ALA 64 -3.384 1.619 4.007 137 HB1 ALA 64 HB1 ALA 64 -2.472 3.846 4.573 138 HB2 ALA 64 HB2 ALA 64 -3.125 3.859 2.928 139 HB3 ALA 64 HB3 ALA 64 -4.038 4.603 4.258 140 H SER 65 H SER 65 -6.303 2.917 5.457 141 HA SER 65 HA SER 65 -5.576 2.635 8.235 142 HB2 SER 65 HB2 SER 65 -8.262 2.682 6.800 143 HB3 SER 65 HB3 SER 65 -8.030 2.849 8.554 144 HG SER 65 HG SER 65 -8.175 4.887 7.292 145 H GLY 66 H GLY 66 -6.783 1.052 9.751 146 HA2 GLY 66 HA2 GLY 66 -7.591 -1.078 10.312 147 HA3 GLY 66 HA3 GLY 66 -7.651 -1.497 8.589 148 HA PRO 67 HA PRO 67 -4.042 -3.674 10.635 149 HB2 PRO 67 HB2 PRO 67 -4.757 -6.286 10.144 150 HB3 PRO 67 HB3 PRO 67 -5.285 -5.349 11.573 151 HG2 PRO 67 HG2 PRO 67 -6.806 -5.845 9.001 152 HG3 PRO 67 HG3 PRO 67 -7.402 -5.968 10.682 153 HD2 PRO 67 HD2 PRO 67 -7.834 -3.743 9.152 154 HD3 PRO 67 HD3 PRO 67 -7.544 -3.624 10.911 155 H CYS 68 H CYS 68 -5.543 -5.171 7.635 156 HA CYS 68 HA CYS 68 -3.034 -5.630 6.387 157 HB2 CYS 68 HB2 CYS 68 -5.713 -5.149 5.044 158 HB3 CYS 68 HB3 CYS 68 -4.302 -5.889 4.307 159 H GLY 69 H GLY 69 -4.533 -2.570 6.881 160 HA2 GLY 69 HA2 GLY 69 -3.748 -1.198 4.514 161 HA3 GLY 69 HA3 GLY 69 -4.092 -0.462 6.091 162 H GLU 70 H GLU 70 -1.801 -2.195 7.271 163 HA GLU 70 HA GLU 70 0.409 -0.382 6.812 164 HB2 GLU 70 HB2 GLU 70 0.377 -3.161 8.066 165 HB3 GLU 70 HB3 GLU 70 1.769 -2.070 8.008 166 HG2 GLU 70 HG2 GLU 70 0.362 -0.362 9.275 167 HG3 GLU 70 HG3 GLU 70 -0.839 -1.631 9.517 168 H GLN 71 H GLN 71 -0.636 -3.382 5.189 169 HA GLN 71 HA GLN 71 1.918 -3.746 3.793 170 HB2 GLN 71 HB2 GLN 71 -0.783 -5.009 3.194 171 HB3 GLN 71 HB3 GLN 71 0.798 -5.544 2.616 172 HG2 GLN 71 HG2 GLN 71 -0.180 -5.678 5.504 173 HG3 GLN 71 HG3 GLN 71 -0.108 -7.003 4.364 174 HE21 GLN 71 HE21 GLN 71 1.262 -8.170 6.000 175 HE22 GLN 71 HE22 GLN 71 2.949 -7.688 6.113 176 H PHE 72 H PHE 72 -1.269 -2.284 3.068 177 HA PHE 72 HA PHE 72 -0.631 -1.570 0.351 178 HB2 PHE 72 HB2 PHE 72 -2.928 -1.611 1.253 179 HB3 PHE 72 HB3 PHE 72 -2.516 -0.331 2.389 180 HD1 PHE 72 HD1 PHE 72 -3.090 -1.131 -1.202 181 HD2 PHE 72 HD2 PHE 72 -2.383 1.986 1.687 182 HE1 PHE 72 HE1 PHE 72 -3.709 0.582 -2.894 183 HE2 PHE 72 HE2 PHE 72 -3.014 3.694 0.012 184 HZ PHE 72 HZ PHE 72 -3.670 2.998 -2.293 185 H LYS 73 H LYS 73 -0.281 0.233 3.487 186 HA LYS 73 HA LYS 73 1.020 2.525 2.474 187 HB2 LYS 73 HB2 LYS 73 1.377 1.028 5.097 188 HB3 LYS 73 HB3 LYS 73 2.295 2.469 4.694 189 HG2 LYS 73 HG2 LYS 73 0.112 3.708 4.400 190 HG3 LYS 73 HG3 LYS 73 -0.716 2.292 5.078 191 HD2 LYS 73 HD2 LYS 73 0.723 2.481 7.131 192 HD3 LYS 73 HD3 LYS 73 1.533 3.868 6.412 193 HE2 LYS 73 HE2 LYS 73 0.053 4.908 7.823 194 HE3 LYS 73 HE3 LYS 73 -0.808 4.974 6.282 195 HZ1 LYS 73 HZ1 LYS 73 -2.141 3.063 7.050 196 HZ2 LYS 73 HZ2 LYS 73 -2.202 4.305 8.139 197 HZ3 LYS 73 HZ3 LYS 73 -1.279 2.995 8.454 198 H SER 74 H SER 74 2.539 -0.461 3.650 199 HA SER 74 HA SER 74 5.226 0.054 3.030 200 HB2 SER 74 HB2 SER 74 4.307 -1.739 4.447 201 HB3 SER 74 HB3 SER 74 3.722 -2.582 3.015 202 HG SER 74 HG SER 74 5.671 -3.413 3.713 203 H ALA 75 H ALA 75 3.059 -1.960 0.970 204 HA ALA 75 HA ALA 75 4.890 -2.468 -1.103 205 HB1 ALA 75 HB1 ALA 75 2.817 -3.748 -0.605 206 HB2 ALA 75 HB2 ALA 75 1.823 -2.365 -1.077 207 HB3 ALA 75 HB3 ALA 75 2.794 -3.205 -2.282 208 H PHE 76 H PHE 76 2.379 0.091 -0.937 209 HA PHE 76 HA PHE 76 2.988 1.109 -3.567 210 HB2 PHE 76 HB2 PHE 76 0.872 1.330 -1.825 211 HB3 PHE 76 HB3 PHE 76 1.608 2.905 -1.636 212 HD1 PHE 76 HD2 PHE 76 2.210 4.119 -3.979 213 HD2 PHE 76 HD1 PHE 76 -0.688 0.962 -3.482 214 HE1 PHE 76 HE2 PHE 76 1.083 4.818 -6.079 215 HE2 PHE 76 HE1 PHE 76 -1.804 1.658 -5.586 216 HZ PHE 76 HZ PHE 76 -0.920 3.588 -6.886 217 H SER 77 H SER 77 3.958 2.093 -0.244 218 HA SER 77 HA SER 77 5.502 4.405 -0.986 219 HB2 SER 77 HB2 SER 77 6.558 4.302 1.087 220 HB3 SER 77 HB3 SER 77 4.918 3.759 1.378 221 HG SER 77 HG SER 77 5.942 1.521 1.219 222 H CYS 78 H CYS 78 6.525 0.964 -0.756 223 HA CYS 78 HA CYS 78 9.233 1.359 -1.518 224 HB2 CYS 78 HB2 CYS 78 8.372 -0.652 -0.471 225 HB3 CYS 78 HB3 CYS 78 7.341 -0.993 -1.845 226 H PHE 79 H PHE 79 6.366 0.636 -3.564 227 HA PHE 79 HA PHE 79 7.797 0.669 -6.033 228 HB2 PHE 79 HB2 PHE 79 5.585 -0.315 -5.815 229 HB3 PHE 79 HB3 PHE 79 4.862 1.222 -5.368 230 HD1 PHE 79 HD2 PHE 79 7.095 -0.069 -8.152 231 HD2 PHE 79 HD1 PHE 79 3.632 2.264 -7.061 232 HE1 PHE 79 HE2 PHE 79 6.703 0.487 -10.534 233 HE2 PHE 79 HE1 PHE 79 3.280 2.835 -9.446 234 HZ PHE 79 HZ PHE 79 4.813 1.948 -11.189 235 H HIS 80 H HIS 80 6.060 3.403 -4.376 236 HA HIS 80 HA HIS 80 6.793 5.349 -6.350 237 HB2 HIS 80 HB2 HIS 80 5.050 5.808 -4.683 238 HB3 HIS 80 HB3 HIS 80 6.267 5.702 -3.384 239 HD1 HIS 80 HD1 HIS 80 7.353 8.057 -2.766 240 HD2 HIS 80 HD2 HIS 80 5.725 7.842 -6.639 241 HE1 HIS 80 HE1 HIS 80 7.610 10.361 -3.784 242 H TYR 81 H TYR 81 8.516 4.418 -3.315 243 HA TYR 81 HA TYR 81 10.643 6.301 -3.748 244 HB2 TYR 81 HB2 TYR 81 10.325 3.841 -1.993 245 HB3 TYR 81 HB3 TYR 81 11.836 4.737 -2.084 246 HD1 TYR 81 HD1 TYR 81 8.233 5.976 -1.771 247 HD2 TYR 81 HD2 TYR 81 12.189 5.852 -0.098 248 HE1 TYR 81 HE1 TYR 81 7.495 7.422 0.074 249 HE2 TYR 81 HE2 TYR 81 11.452 7.334 1.734 250 HH TYR 81 HH TYR 81 9.679 8.461 2.691 251 H SER 82 H SER 82 9.974 3.223 -5.188 252 HA SER 82 HA SER 82 12.698 2.860 -6.275 253 HB2 SER 82 HB2 SER 82 11.283 0.957 -5.499 254 HB3 SER 82 HB3 SER 82 10.147 1.298 -6.799 255 HG SER 82 HG SER 82 11.690 -0.390 -7.226 256 H THR 83 H THR 83 9.545 4.025 -7.516 257 HA THR 83 HA THR 83 8.851 4.915 -9.489 258 HB THR 83 HB THR 83 10.249 6.541 -10.595 259 HG1 THR 83 HG1 THR 83 12.235 5.069 -9.348 260 HG21 THR 83 HG21 THR 83 10.899 6.675 -7.633 261 HG22 THR 83 HG22 THR 83 9.334 7.148 -8.343 262 HG23 THR 83 HG23 THR 83 10.814 8.016 -8.788 263 H GLU 84 H GLU 84 10.247 2.154 -9.684 264 HA GLU 84 HA GLU 84 11.755 2.124 -11.939 265 HB2 GLU 84 HB2 GLU 84 10.607 0.117 -10.123 266 HB3 GLU 84 HB3 GLU 84 10.797 -0.544 -11.771 267 HG2 GLU 84 HG2 GLU 84 12.992 0.788 -10.083 268 HG3 GLU 84 HG3 GLU 84 12.814 -0.928 -10.409 269 H GLU 85 H GLU 85 8.363 1.026 -12.082 270 HA GLU 85 HA GLU 85 7.383 2.075 -14.212 271 HB2 GLU 85 HB2 GLU 85 7.573 0.757 -16.242 272 HB3 GLU 85 HB3 GLU 85 8.958 1.695 -15.807 273 HG2 GLU 85 HG2 GLU 85 10.056 -0.141 -16.527 274 HG3 GLU 85 HG3 GLU 85 9.868 -0.644 -14.845 275 H ILE 86 H ILE 86 7.422 -1.606 -14.247 276 HA ILE 86 HA ILE 86 4.572 -1.548 -13.940 277 HB ILE 86 HB ILE 86 6.651 -3.726 -13.972 278 HG12 ILE 86 HG12 ILE 86 6.025 -2.617 -16.107 279 HG13 ILE 86 HG13 ILE 86 5.667 -4.328 -16.089 280 HG21 ILE 86 HG21 ILE 86 5.032 -4.653 -12.453 281 HG22 ILE 86 HG22 ILE 86 3.687 -4.187 -13.513 282 HG23 ILE 86 HG23 ILE 86 4.844 -5.430 -14.029 283 HD11 ILE 86 HD11 ILE 86 3.946 -2.969 -17.217 284 HD12 ILE 86 HD12 ILE 86 3.264 -3.815 -15.814 285 HD13 ILE 86 HD13 ILE 86 3.638 -2.074 -15.739 286 H LYS 87 H LYS 87 3.219 -2.073 -12.349 287 HA LYS 87 HA LYS 87 3.982 -0.856 -9.928 288 HB2 LYS 87 HB2 LYS 87 1.437 -2.315 -10.683 289 HB3 LYS 87 HB3 LYS 87 1.662 -1.370 -9.187 290 HG2 LYS 87 HG2 LYS 87 2.344 0.602 -10.595 291 HG3 LYS 87 HG3 LYS 87 1.966 -0.318 -12.043 292 HD2 LYS 87 HD2 LYS 87 -0.398 -0.394 -11.424 293 HD3 LYS 87 HD3 LYS 87 -0.043 0.371 -9.865 294 HE2 LYS 87 HE2 LYS 87 -0.929 2.028 -11.445 295 HE3 LYS 87 HE3 LYS 87 0.722 2.419 -10.982 296 HZ1 LYS 87 HZ1 LYS 87 1.505 1.585 -13.102 297 HZ2 LYS 87 HZ2 LYS 87 0.309 2.670 -13.357 298 HZ3 LYS 87 HZ3 LYS 87 -0.005 1.064 -13.524 299 H GLY 88 H GLY 88 5.175 -1.471 -8.507 300 HA2 GLY 88 HA2 GLY 88 5.874 -2.586 -6.585 301 HA3 GLY 88 HA3 GLY 88 4.838 -3.979 -7.012 302 H SER 89 H SER 89 6.970 -3.007 -9.589 303 HA SER 89 HA SER 89 7.911 -5.391 -10.186 304 HB2 SER 89 HB2 SER 89 9.790 -4.401 -11.321 305 HB3 SER 89 HB3 SER 89 8.399 -3.312 -11.428 306 HG SER 89 HG SER 89 10.665 -3.072 -9.705 307 H ASP 90 H ASP 90 9.985 -3.468 -7.919 308 HA ASP 90 HA ASP 90 11.451 -5.969 -7.224 309 HB2 ASP 90 HB2 ASP 90 13.302 -4.498 -6.616 310 HB3 ASP 90 HB3 ASP 90 12.837 -4.331 -8.293 311 H CYS 91 H CYS 91 8.892 -4.635 -6.151 312 HA CYS 91 HA CYS 91 9.550 -4.645 -3.229 313 HB2 CYS 91 HB2 CYS 91 7.263 -3.448 -4.825 314 HB3 CYS 91 HB3 CYS 91 7.399 -3.349 -3.074 315 H VAL 92 H VAL 92 8.417 -6.673 -5.523 316 HA VAL 92 HA VAL 92 6.046 -7.584 -5.299 317 HB VAL 92 HB VAL 92 7.776 -8.513 -6.702 318 HG11 VAL 92 HG11 VAL 92 9.156 -10.400 -6.098 319 HG12 VAL 92 HG12 VAL 92 9.495 -9.070 -4.977 320 HG13 VAL 92 HG13 VAL 92 8.492 -10.445 -4.458 321 HG21 VAL 92 HG21 VAL 92 5.536 -9.561 -6.605 322 HG22 VAL 92 HG22 VAL 92 6.809 -10.724 -7.015 323 HG23 VAL 92 HG23 VAL 92 6.124 -10.703 -5.379 324 H ASP 93 H ASP 93 8.243 -8.916 -2.690 325 HA ASP 93 HA ASP 93 6.327 -10.671 -1.636 326 HB2 ASP 93 HB2 ASP 93 8.849 -10.393 -1.100 327 HB3 ASP 93 HB3 ASP 93 8.341 -9.247 0.133 328 H GLN 94 H GLN 94 6.481 -7.182 -1.192 329 HA GLN 94 HA GLN 94 4.695 -7.102 1.135 330 HB2 GLN 94 HB2 GLN 94 5.704 -4.959 -0.768 331 HB3 GLN 94 HB3 GLN 94 4.760 -4.633 0.686 332 HG2 GLN 94 HG2 GLN 94 6.481 -5.064 2.136 333 HG3 GLN 94 HG3 GLN 94 7.188 -6.330 1.150 334 HE21 GLN 94 HE21 GLN 94 7.938 -5.182 -1.230 335 HE22 GLN 94 HE22 GLN 94 9.121 -3.926 -0.829 336 H PHE 95 H PHE 95 4.294 -6.857 -2.396 337 HA PHE 95 HA PHE 95 1.432 -6.322 -2.292 338 HB2 PHE 95 HB2 PHE 95 3.269 -7.378 -4.488 339 HB3 PHE 95 HB3 PHE 95 1.550 -7.080 -4.696 340 HD1 PHE 95 HD1 PHE 95 4.788 -5.359 -3.842 341 HD2 PHE 95 HD2 PHE 95 0.708 -4.910 -5.178 342 HE1 PHE 95 HE1 PHE 95 5.169 -2.937 -4.241 343 HE2 PHE 95 HE2 PHE 95 1.126 -2.513 -5.645 344 HZ PHE 95 HZ PHE 95 3.359 -1.521 -5.165 345 H ARG 96 H ARG 96 3.491 -9.227 -2.370 346 HA ARG 96 HA ARG 96 1.424 -11.208 -2.546 347 HB2 ARG 96 HB2 ARG 96 3.927 -11.536 -2.839 348 HB3 ARG 96 HB3 ARG 96 4.090 -11.470 -1.090 349 HG2 ARG 96 HG2 ARG 96 2.616 -13.458 -0.865 350 HG3 ARG 96 HG3 ARG 96 2.482 -13.524 -2.634 351 HD2 ARG 96 HD2 ARG 96 4.998 -13.749 -2.755 352 HD3 ARG 96 HD3 ARG 96 5.048 -13.837 -0.999 353 HE ARG 96 HE ARG 96 4.115 -15.884 -2.906 354 HH11 ARG 96 HH11 ARG 96 4.719 -15.197 0.523 355 HH12 ARG 96 HH12 ARG 96 3.877 -16.649 1.040 356 HH21 ARG 96 HH21 ARG 96 3.366 -17.877 -2.163 357 HH22 ARG 96 HH22 ARG 96 3.412 -18.247 -0.456 358 H ALA 97 H ALA 97 3.029 -9.756 0.348 359 HA ALA 97 HA ALA 97 1.406 -10.955 2.343 360 HB1 ALA 97 HB1 ALA 97 2.820 -8.251 2.377 361 HB2 ALA 97 HB2 ALA 97 2.358 -9.234 3.778 362 HB3 ALA 97 HB3 ALA 97 3.616 -9.813 2.670 363 H MET 98 H MET 98 0.985 -7.770 0.687 364 HA MET 98 HA MET 98 -1.404 -6.981 1.962 365 HB2 MET 98 HB2 MET 98 0.019 -5.654 0.300 366 HB3 MET 98 HB3 MET 98 -0.737 -6.583 -0.989 367 HG2 MET 98 HG2 MET 98 -2.999 -5.750 0.066 368 HG3 MET 98 HG3 MET 98 -1.988 -4.605 0.936 369 HE1 MET 98 HE1 MET 98 -2.162 -6.074 -2.786 370 HE2 MET 98 HE2 MET 98 -3.786 -5.584 -2.238 371 HE3 MET 98 HE3 MET 98 -2.978 -4.693 -3.550 372 H GLN 99 H GLN 99 -1.132 -9.026 -1.032 373 HA GLN 99 HA GLN 99 -4.005 -9.255 -1.130 374 HB2 GLN 99 HB2 GLN 99 -2.330 -9.194 -3.071 375 HB3 GLN 99 HB3 GLN 99 -2.062 -10.910 -2.762 376 HG2 GLN 99 HG2 GLN 99 -4.373 -11.434 -3.264 377 HG3 GLN 99 HG3 GLN 99 -4.848 -9.728 -3.184 378 HE21 GLN 99 HE21 GLN 99 -4.352 -12.171 -5.413 379 HE22 GLN 99 HE22 GLN 99 -4.207 -11.087 -6.774 380 H GLU 100 H GLU 100 -1.524 -11.425 0.299 381 HA GLU 100 HA GLU 100 -3.441 -13.526 0.781 382 HB2 GLU 100 HB2 GLU 100 -1.873 -14.634 1.990 383 HB3 GLU 100 HB3 GLU 100 -0.924 -13.726 0.864 384 HG2 GLU 100 HG2 GLU 100 0.354 -13.452 2.717 385 HG3 GLU 100 HG3 GLU 100 -0.632 -12.015 2.858 386 H CYS 101 H CYS 101 -2.400 -10.760 2.837 387 HA CYS 101 HA CYS 101 -3.999 -11.301 5.093 388 HB2 CYS 101 HB2 CYS 101 -2.166 -9.638 4.877 389 HB3 CYS 101 HB3 CYS 101 -3.200 -8.607 3.899 390 H MET 102 H MET 102 -4.797 -9.280 2.255 391 HA MET 102 HA MET 102 -7.465 -8.623 3.132 392 HB2 MET 102 HB2 MET 102 -6.112 -8.478 0.391 393 HB3 MET 102 HB3 MET 102 -7.713 -7.835 0.750 394 HG2 MET 102 HG2 MET 102 -6.783 -6.338 2.462 395 HG3 MET 102 HG3 MET 102 -5.184 -7.004 2.202 396 HE1 MET 102 HE1 MET 102 -7.951 -4.640 0.977 397 HE2 MET 102 HE2 MET 102 -7.407 -4.117 -0.632 398 HE3 MET 102 HE3 MET 102 -8.027 -5.767 -0.408 399 H GLN 103 H GLN 103 -6.324 -11.570 1.457 400 HA GLN 103 HA GLN 103 -9.130 -12.196 0.735 401 HB2 GLN 103 HB2 GLN 103 -8.391 -13.914 -0.559 402 HB3 GLN 103 HB3 GLN 103 -7.172 -12.702 -0.775 403 HG2 GLN 103 HG2 GLN 103 -5.836 -14.542 -0.577 404 HG3 GLN 103 HG3 GLN 103 -5.874 -14.044 1.101 405 HE21 GLN 103 HE21 GLN 103 -5.698 -16.051 2.202 406 HE22 GLN 103 HE22 GLN 103 -6.633 -17.475 1.760 407 H LYS 104 H LYS 104 -6.836 -12.935 3.302 408 HA LYS 104 HA LYS 104 -8.594 -14.906 4.588 409 HB2 LYS 104 HB2 LYS 104 -6.281 -13.170 5.585 410 HB3 LYS 104 HB3 LYS 104 -7.094 -14.405 6.555 411 HG2 LYS 104 HG2 LYS 104 -6.334 -16.180 5.093 412 HG3 LYS 104 HG3 LYS 104 -5.726 -15.030 3.904 413 HD2 LYS 104 HD2 LYS 104 -3.880 -15.938 5.130 414 HD3 LYS 104 HD3 LYS 104 -4.026 -14.214 5.486 415 HE2 LYS 104 HE2 LYS 104 -5.109 -14.720 7.649 416 HE3 LYS 104 HE3 LYS 104 -5.121 -16.451 7.259 417 HZ1 LYS 104 HZ1 LYS 104 -3.270 -15.918 8.695 418 HZ2 LYS 104 HZ2 LYS 104 -2.667 -14.822 7.611 419 HZ3 LYS 104 HZ3 LYS 104 -2.718 -16.399 7.221 420 H TYR 105 H TYR 105 -8.162 -11.400 4.697 421 HA TYR 105 HA TYR 105 -10.358 -11.075 6.708 422 HB2 TYR 105 HB2 TYR 105 -8.036 -9.321 5.852 423 HB3 TYR 105 HB3 TYR 105 -9.310 -8.782 6.883 424 HD1 TYR 105 HD2 TYR 105 -8.815 -12.095 8.036 425 HD2 TYR 105 HD1 TYR 105 -6.969 -8.210 7.976 426 HE1 TYR 105 HE2 TYR 105 -7.438 -12.734 9.977 427 HE2 TYR 105 HE1 TYR 105 -5.584 -8.843 9.947 428 HH TYR 105 HH TYR 105 -5.695 -12.122 11.373 429 HA PRO 106 HA PRO 106 -12.267 -9.550 2.803 430 HB2 PRO 106 HB2 PRO 106 -14.818 -10.499 3.138 431 HB3 PRO 106 HB3 PRO 106 -13.439 -11.499 2.519 432 HG2 PRO 106 HG2 PRO 106 -14.524 -11.356 5.361 433 HG3 PRO 106 HG3 PRO 106 -14.138 -12.799 4.388 434 HD2 PRO 106 HD2 PRO 106 -12.373 -11.798 6.192 435 HD3 PRO 106 HD3 PRO 106 -11.825 -12.499 4.655 436 H ASP 107 H ASP 107 -14.027 -9.374 5.990 437 HA ASP 107 HA ASP 107 -14.357 -6.490 5.751 438 HB2 ASP 107 HB2 ASP 107 -16.086 -7.551 4.194 439 HB3 ASP 107 HB3 ASP 107 -16.886 -8.140 5.641 440 H LEU 108 H LEU 108 -13.101 -8.067 7.758 441 HA LEU 108 HA LEU 108 -14.888 -7.925 10.102 442 HB2 LEU 108 HB2 LEU 108 -13.192 -8.803 11.399 443 HB3 LEU 108 HB3 LEU 108 -13.103 -9.664 9.883 444 HG LEU 108 HG LEU 108 -10.918 -9.382 10.577 445 HD11 LEU 108 HD11 LEU 108 -9.795 -8.003 8.938 446 HD12 LEU 108 HD12 LEU 108 -11.274 -7.094 8.609 447 HD13 LEU 108 HD13 LEU 108 -11.194 -8.825 8.198 448 HD21 LEU 108 HD21 LEU 108 -11.311 -7.619 12.315 449 HD22 LEU 108 HD22 LEU 108 -11.157 -6.395 11.033 450 HD23 LEU 108 HD23 LEU 108 -9.800 -7.460 11.403 451 H TYR 109 H TYR 109 -13.295 -5.675 8.275 452 HA TYR 109 HA TYR 109 -12.286 -3.772 10.114 453 HB2 TYR 109 HB2 TYR 109 -13.529 -3.156 7.419 454 HB3 TYR 109 HB3 TYR 109 -12.206 -2.324 8.215 455 HD1 TYR 109 HD2 TYR 109 -10.043 -3.762 8.637 456 HD2 TYR 109 HD1 TYR 109 -13.066 -4.734 5.743 457 HE1 TYR 109 HE2 TYR 109 -8.395 -5.198 7.388 458 HE2 TYR 109 HE1 TYR 109 -11.470 -6.252 4.569 459 HH TYR 109 HH TYR 109 -9.366 -7.161 4.599 Start of MODEL 20 1 H GLY 45 H GLY 45 -0.045 16.840 -3.204 2 HA2 GLY 45 HA2 GLY 45 -0.980 15.992 -5.187 3 HA3 GLY 45 HA3 GLY 45 0.511 15.073 -5.481 4 H LEU 46 H LEU 46 -0.732 13.058 -5.448 5 HA LEU 46 HA LEU 46 -1.857 12.181 -2.900 6 HB2 LEU 46 HB2 LEU 46 -2.112 10.072 -3.840 7 HB3 LEU 46 HB3 LEU 46 -2.331 11.175 -5.169 8 HG LEU 46 HG LEU 46 0.310 10.626 -5.540 9 HD11 LEU 46 HD11 LEU 46 0.351 9.060 -3.544 10 HD12 LEU 46 HD12 LEU 46 0.767 8.260 -5.072 11 HD13 LEU 46 HD13 LEU 46 -0.842 8.043 -4.363 12 HD21 LEU 46 HD21 LEU 46 -1.458 10.328 -7.226 13 HD22 LEU 46 HD22 LEU 46 -2.000 8.837 -6.428 14 HD23 LEU 46 HD23 LEU 46 -0.391 8.920 -7.184 15 H ILE 47 H ILE 47 1.335 12.464 -4.183 16 HA ILE 47 HA ILE 47 2.673 11.377 -1.774 17 HB ILE 47 HB ILE 47 4.044 12.927 -3.987 18 HG12 ILE 47 HG12 ILE 47 2.856 11.205 -5.250 19 HG13 ILE 47 HG13 ILE 47 4.581 10.918 -5.227 20 HG21 ILE 47 HG21 ILE 47 5.957 11.467 -3.311 21 HG22 ILE 47 HG22 ILE 47 5.342 12.436 -1.978 22 HG23 ILE 47 HG23 ILE 47 4.915 10.729 -2.075 23 HD11 ILE 47 HD11 ILE 47 2.620 9.471 -3.409 24 HD12 ILE 47 HD12 ILE 47 3.209 8.850 -4.961 25 HD13 ILE 47 HD13 ILE 47 4.344 9.096 -3.622 26 H LEU 48 H LEU 48 3.568 12.700 -0.219 27 HA LEU 48 HA LEU 48 2.754 15.526 0.013 28 HB2 LEU 48 HB2 LEU 48 4.398 13.610 1.744 29 HB3 LEU 48 HB3 LEU 48 4.028 15.242 2.222 30 HG LEU 48 HG LEU 48 1.862 13.175 1.681 31 HD11 LEU 48 HD11 LEU 48 1.717 12.926 4.130 32 HD12 LEU 48 HD12 LEU 48 3.136 13.982 4.331 33 HD13 LEU 48 HD13 LEU 48 3.294 12.407 3.522 34 HD21 LEU 48 HD21 LEU 48 1.067 15.505 1.548 35 HD22 LEU 48 HD22 LEU 48 1.849 15.886 3.100 36 HD23 LEU 48 HD23 LEU 48 0.483 14.758 3.041 37 HA PRO 49 HA PRO 49 6.530 17.306 -1.545 38 HB2 PRO 49 HB2 PRO 49 7.379 19.038 0.486 39 HB3 PRO 49 HB3 PRO 49 6.135 19.398 -0.732 40 HG2 PRO 49 HG2 PRO 49 5.747 18.366 2.085 41 HG3 PRO 49 HG3 PRO 49 4.855 19.682 1.249 42 HD2 PRO 49 HD2 PRO 49 3.779 17.233 1.432 43 HD3 PRO 49 HD3 PRO 49 3.679 18.116 -0.123 44 H ASN 50 H ASN 50 6.720 15.962 1.773 45 HA ASN 50 HA ASN 50 9.595 15.593 1.654 46 HB2 ASN 50 HB2 ASN 50 9.295 14.585 3.858 47 HB3 ASN 50 HB3 ASN 50 8.442 16.128 3.734 48 HD21 ASN 50 HD21 ASN 50 8.050 12.629 4.171 49 HD22 ASN 50 HD22 ASN 50 6.321 12.734 4.493 50 H GLY 51 H GLY 51 7.224 13.810 0.067 51 HA2 GLY 51 HA2 GLY 51 7.845 12.065 -1.374 52 HA3 GLY 51 HA3 GLY 51 9.108 11.539 -0.252 53 H ASN 52 H ASN 52 7.018 11.470 2.012 54 HA ASN 52 HA ASN 52 5.975 8.783 1.527 55 HB2 ASN 52 HB2 ASN 52 6.653 9.548 3.772 56 HB3 ASN 52 HB3 ASN 52 5.413 10.785 3.745 57 HD21 ASN 52 HD21 ASN 52 4.169 10.050 5.539 58 HD22 ASN 52 HD22 ASN 52 3.297 8.570 5.467 59 H ILE 53 H ILE 53 3.570 8.314 1.757 60 HA ILE 53 HA ILE 53 2.082 10.002 -0.205 61 HB ILE 53 HB ILE 53 1.701 7.261 0.933 62 HG12 ILE 53 HG12 ILE 53 1.740 7.919 -1.998 63 HG13 ILE 53 HG13 ILE 53 3.273 8.023 -1.127 64 HG21 ILE 53 HG21 ILE 53 -0.295 6.943 -0.500 65 HG22 ILE 53 HG22 ILE 53 -0.580 8.112 0.793 66 HG23 ILE 53 HG23 ILE 53 -0.292 8.673 -0.871 67 HD11 ILE 53 HD11 ILE 53 2.959 5.833 -2.176 68 HD12 ILE 53 HD12 ILE 53 3.103 5.711 -0.411 69 HD13 ILE 53 HD13 ILE 53 1.513 5.549 -1.182 70 H ASN 54 H ASN 54 0.224 11.085 0.166 71 HA ASN 54 HA ASN 54 -0.479 11.800 2.908 72 HB2 ASN 54 HB2 ASN 54 -0.547 13.448 1.069 73 HB3 ASN 54 HB3 ASN 54 -1.786 12.501 0.255 74 HD21 ASN 54 HD21 ASN 54 -3.941 12.547 1.088 75 HD22 ASN 54 HD22 ASN 54 -4.405 13.775 2.261 76 H TRP 55 H TRP 55 -0.782 9.638 3.609 77 HA TRP 55 HA TRP 55 -2.768 7.853 2.755 78 HB2 TRP 55 HB2 TRP 55 -1.754 8.296 5.580 79 HB3 TRP 55 HB3 TRP 55 -2.487 6.824 4.955 80 HD1 TRP 55 HD1 TRP 55 0.788 8.287 5.617 81 HE1 TRP 55 HE1 TRP 55 2.693 7.127 4.310 82 HE3 TRP 55 HE3 TRP 55 -1.970 5.562 2.248 83 HZ2 TRP 55 HZ2 TRP 55 2.984 5.025 2.407 84 HZ3 TRP 55 HZ3 TRP 55 -0.838 3.975 0.705 85 HH2 TRP 55 HH2 TRP 55 1.636 3.712 0.772 86 H ASN 56 H ASN 56 -3.398 10.922 4.058 87 HA ASN 56 HA ASN 56 -6.033 10.291 5.129 88 HB2 ASN 56 HB2 ASN 56 -4.220 12.262 5.625 89 HB3 ASN 56 HB3 ASN 56 -5.249 13.100 4.461 90 HD21 ASN 56 HD21 ASN 56 -7.802 12.438 5.051 91 HD22 ASN 56 HD22 ASN 56 -8.169 12.706 6.743 92 H CYS 57 H CYS 57 -4.915 10.389 1.961 93 HA CYS 57 HA CYS 57 -6.817 11.927 0.544 94 HB2 CYS 57 HB2 CYS 57 -5.110 9.507 -0.115 95 HB3 CYS 57 HB3 CYS 57 -6.289 10.095 -1.302 96 HG CYS 57 HG CYS 57 -3.789 10.948 -1.776 97 HA PRO 58 HA PRO 58 -10.611 9.558 0.851 98 HB2 PRO 58 HB2 PRO 58 -11.926 10.292 -1.430 99 HB3 PRO 58 HB3 PRO 58 -11.675 11.421 -0.056 100 HG2 PRO 58 HG2 PRO 58 -10.036 11.181 -2.602 101 HG3 PRO 58 HG3 PRO 58 -10.686 12.666 -1.841 102 HD2 PRO 58 HD2 PRO 58 -8.113 11.824 -1.458 103 HD3 PRO 58 HD3 PRO 58 -9.024 12.638 -0.160 104 H CYS 59 H CYS 59 -11.248 7.544 0.224 105 HA CYS 59 HA CYS 59 -11.165 5.438 -0.605 106 HB2 CYS 59 HB2 CYS 59 -11.864 6.406 -2.736 107 HB3 CYS 59 HB3 CYS 59 -10.179 6.716 -3.192 108 HG CYS 59 HG CYS 59 -9.372 4.256 -3.224 109 H LEU 60 H LEU 60 -8.177 6.901 -1.924 110 HA LEU 60 HA LEU 60 -6.491 4.647 -1.591 111 HB2 LEU 60 HB2 LEU 60 -6.019 6.534 -3.085 112 HB3 LEU 60 HB3 LEU 60 -5.941 7.644 -1.711 113 HG LEU 60 HG LEU 60 -3.900 6.461 -0.900 114 HD11 LEU 60 HD11 LEU 60 -4.304 4.221 -1.920 115 HD12 LEU 60 HD12 LEU 60 -2.715 4.882 -2.347 116 HD13 LEU 60 HD13 LEU 60 -4.045 4.935 -3.527 117 HD21 LEU 60 HD21 LEU 60 -3.728 8.475 -2.298 118 HD22 LEU 60 HD22 LEU 60 -3.730 7.457 -3.758 119 HD23 LEU 60 HD23 LEU 60 -2.382 7.347 -2.601 120 H GLY 61 H GLY 61 -7.328 7.186 0.753 121 HA2 GLY 61 HA2 GLY 61 -5.418 6.261 2.767 122 HA3 GLY 61 HA3 GLY 61 -6.749 7.437 2.973 123 H GLY 62 H GLY 62 -8.759 5.516 1.917 124 HA2 GLY 62 HA2 GLY 62 -9.415 4.008 4.333 125 HA3 GLY 62 HA3 GLY 62 -10.232 3.928 2.756 126 H MET 63 H MET 63 -8.168 3.132 1.064 127 HA MET 63 HA MET 63 -7.765 0.344 1.533 128 HB2 MET 63 HB2 MET 63 -6.225 2.283 -0.241 129 HB3 MET 63 HB3 MET 63 -6.101 0.510 -0.308 130 HG2 MET 63 HG2 MET 63 -8.507 0.358 -0.842 131 HG3 MET 63 HG3 MET 63 -8.638 2.108 -0.860 132 HE1 MET 63 HE1 MET 63 -8.999 0.751 -4.575 133 HE2 MET 63 HE2 MET 63 -9.402 -0.122 -3.114 134 HE3 MET 63 HE3 MET 63 -9.823 1.572 -3.274 135 H ALA 64 H ALA 64 -5.795 3.068 2.579 136 HA ALA 64 HA ALA 64 -3.572 1.340 3.475 137 HB1 ALA 64 HB1 ALA 64 -2.565 3.496 4.062 138 HB2 ALA 64 HB2 ALA 64 -3.257 3.606 2.437 139 HB3 ALA 64 HB3 ALA 64 -4.106 4.344 3.820 140 H SER 65 H SER 65 -6.600 1.879 4.823 141 HA SER 65 HA SER 65 -5.610 2.181 7.630 142 HB2 SER 65 HB2 SER 65 -8.389 2.473 6.431 143 HB3 SER 65 HB3 SER 65 -7.982 2.656 8.146 144 HG SER 65 HG SER 65 -7.026 4.265 5.987 145 H GLY 66 H GLY 66 -6.456 0.810 9.298 146 HA2 GLY 66 HA2 GLY 66 -7.640 -1.035 10.179 147 HA3 GLY 66 HA3 GLY 66 -8.019 -1.582 8.535 148 HA PRO 67 HA PRO 67 -4.840 -4.195 10.596 149 HB2 PRO 67 HB2 PRO 67 -5.724 -6.702 9.934 150 HB3 PRO 67 HB3 PRO 67 -6.432 -5.694 11.238 151 HG2 PRO 67 HG2 PRO 67 -7.427 -5.992 8.393 152 HG3 PRO 67 HG3 PRO 67 -8.367 -6.114 9.922 153 HD2 PRO 67 HD2 PRO 67 -8.282 -3.811 8.453 154 HD3 PRO 67 HD3 PRO 67 -8.297 -3.771 10.235 155 H CYS 68 H CYS 68 -5.775 -4.742 7.087 156 HA CYS 68 HA CYS 68 -3.068 -5.733 6.526 157 HB2 CYS 68 HB2 CYS 68 -5.218 -4.729 4.614 158 HB3 CYS 68 HB3 CYS 68 -3.719 -5.541 4.159 159 H GLY 69 H GLY 69 -4.086 -2.717 7.411 160 HA2 GLY 69 HA2 GLY 69 -3.416 -0.887 5.510 161 HA3 GLY 69 HA3 GLY 69 -3.326 -0.577 7.230 162 H GLU 70 H GLU 70 -1.006 -2.183 7.893 163 HA GLU 70 HA GLU 70 1.034 -0.381 6.952 164 HB2 GLU 70 HB2 GLU 70 2.525 -1.333 8.414 165 HB3 GLU 70 HB3 GLU 70 0.972 -1.508 9.195 166 HG2 GLU 70 HG2 GLU 70 1.774 -3.565 9.641 167 HG3 GLU 70 HG3 GLU 70 1.052 -3.945 8.088 168 H GLN 71 H GLN 71 -0.015 -3.519 5.710 169 HA GLN 71 HA GLN 71 2.443 -3.911 4.144 170 HB2 GLN 71 HB2 GLN 71 -0.210 -5.208 3.495 171 HB3 GLN 71 HB3 GLN 71 1.407 -5.769 3.149 172 HG2 GLN 71 HG2 GLN 71 -0.107 -5.833 5.764 173 HG3 GLN 71 HG3 GLN 71 0.495 -7.199 4.829 174 HE21 GLN 71 HE21 GLN 71 0.910 -6.711 7.685 175 HE22 GLN 71 HE22 GLN 71 2.606 -6.332 7.938 176 H PHE 72 H PHE 72 -0.860 -2.560 3.583 177 HA PHE 72 HA PHE 72 -0.345 -1.818 0.849 178 HB2 PHE 72 HB2 PHE 72 -2.598 -2.014 1.966 179 HB3 PHE 72 HB3 PHE 72 -2.264 -0.523 2.829 180 HD1 PHE 72 HD2 PHE 72 -2.036 1.644 1.531 181 HD2 PHE 72 HD1 PHE 72 -3.249 -2.034 -0.354 182 HE1 PHE 72 HE2 PHE 72 -2.877 2.916 -0.425 183 HE2 PHE 72 HE1 PHE 72 -4.067 -0.759 -2.312 184 HZ PHE 72 HZ PHE 72 -3.878 1.721 -2.357 185 H LYS 73 H LYS 73 0.069 0.031 3.920 186 HA LYS 73 HA LYS 73 1.138 2.452 2.962 187 HB2 LYS 73 HB2 LYS 73 1.901 0.757 5.352 188 HB3 LYS 73 HB3 LYS 73 2.621 2.306 5.069 189 HG2 LYS 73 HG2 LYS 73 -0.393 2.048 5.360 190 HG3 LYS 73 HG3 LYS 73 0.680 2.052 6.754 191 HD2 LYS 73 HD2 LYS 73 1.590 4.253 5.332 192 HD3 LYS 73 HD3 LYS 73 -0.129 4.221 4.939 193 HE2 LYS 73 HE2 LYS 73 0.201 5.663 6.817 194 HE3 LYS 73 HE3 LYS 73 -0.676 4.238 7.374 195 HZ1 LYS 73 HZ1 LYS 73 1.303 3.435 8.403 196 HZ2 LYS 73 HZ2 LYS 73 1.281 5.036 8.781 197 HZ3 LYS 73 HZ3 LYS 73 2.281 4.482 7.614 198 H SER 74 H SER 74 2.987 -0.471 3.849 199 HA SER 74 HA SER 74 5.522 0.426 2.930 200 HB2 SER 74 HB2 SER 74 4.844 -1.536 4.492 201 HB3 SER 74 HB3 SER 74 4.738 -2.503 3.018 202 HG SER 74 HG SER 74 6.930 -2.054 2.621 203 H ALA 75 H ALA 75 3.175 -1.765 1.211 204 HA ALA 75 HA ALA 75 4.777 -2.192 -1.065 205 HB1 ALA 75 HB1 ALA 75 2.624 -2.992 -2.040 206 HB2 ALA 75 HB2 ALA 75 2.818 -3.557 -0.376 207 HB3 ALA 75 HB3 ALA 75 1.739 -2.199 -0.723 208 H PHE 76 H PHE 76 2.154 0.243 -0.632 209 HA PHE 76 HA PHE 76 2.559 1.310 -3.295 210 HB2 PHE 76 HB2 PHE 76 0.439 1.255 -1.607 211 HB3 PHE 76 HB3 PHE 76 1.027 2.860 -1.234 212 HD1 PHE 76 HD1 PHE 76 0.239 0.628 -4.165 213 HD2 PHE 76 HD2 PHE 76 0.094 4.624 -2.559 214 HE1 PHE 76 HE1 PHE 76 -1.054 1.384 -6.141 215 HE2 PHE 76 HE2 PHE 76 -1.191 5.371 -4.529 216 HZ PHE 76 HZ PHE 76 -1.764 3.763 -6.337 217 H SER 77 H SER 77 3.870 2.155 -0.081 218 HA SER 77 HA SER 77 5.108 4.648 -1.009 219 HB2 SER 77 HB2 SER 77 4.717 3.948 1.405 220 HB3 SER 77 HB3 SER 77 6.096 2.849 1.233 221 HG SER 77 HG SER 77 7.368 4.748 0.713 222 H CYS 78 H CYS 78 6.290 1.248 -0.654 223 HA CYS 78 HA CYS 78 8.900 1.601 -1.619 224 HB2 CYS 78 HB2 CYS 78 8.013 -0.392 -0.467 225 HB3 CYS 78 HB3 CYS 78 7.032 -0.802 -1.861 226 H PHE 79 H PHE 79 5.913 0.930 -3.535 227 HA PHE 79 HA PHE 79 7.253 0.970 -6.054 228 HB2 PHE 79 HB2 PHE 79 4.965 0.147 -5.801 229 HB3 PHE 79 HB3 PHE 79 4.398 1.756 -5.353 230 HD1 PHE 79 HD2 PHE 79 6.484 0.244 -8.127 231 HD2 PHE 79 HD1 PHE 79 3.279 2.932 -7.065 232 HE1 PHE 79 HE2 PHE 79 6.183 0.837 -10.518 233 HE2 PHE 79 HE1 PHE 79 2.999 3.530 -9.457 234 HZ PHE 79 HZ PHE 79 4.441 2.471 -11.183 235 H HIS 80 H HIS 80 5.859 3.803 -4.223 236 HA HIS 80 HA HIS 80 6.580 5.578 -6.446 237 HB2 HIS 80 HB2 HIS 80 5.430 6.085 -3.685 238 HB3 HIS 80 HB3 HIS 80 5.796 7.362 -4.845 239 HD1 HIS 80 HD1 HIS 80 3.202 4.676 -4.218 240 HD2 HIS 80 HD2 HIS 80 4.404 7.317 -7.251 241 HE1 HIS 80 HE1 HIS 80 1.311 4.717 -5.937 242 H TYR 81 H TYR 81 8.357 4.472 -3.636 243 HA TYR 81 HA TYR 81 10.459 6.527 -4.003 244 HB2 TYR 81 HB2 TYR 81 10.106 4.069 -2.253 245 HB3 TYR 81 HB3 TYR 81 11.668 4.832 -2.433 246 HD1 TYR 81 HD1 TYR 81 8.131 5.964 -1.678 247 HD2 TYR 81 HD2 TYR 81 12.329 6.325 -0.791 248 HE1 TYR 81 HE1 TYR 81 7.601 7.489 0.190 249 HE2 TYR 81 HE2 TYR 81 11.802 7.883 1.059 250 HH TYR 81 HH TYR 81 10.107 8.956 2.266 251 H SER 82 H SER 82 9.571 3.588 -5.533 252 HA SER 82 HA SER 82 12.318 2.929 -6.504 253 HB2 SER 82 HB2 SER 82 10.998 1.134 -5.502 254 HB3 SER 82 HB3 SER 82 9.665 1.454 -6.614 255 HG SER 82 HG SER 82 12.019 0.082 -7.044 256 H THR 83 H THR 83 9.044 3.370 -7.896 257 HA THR 83 HA THR 83 8.215 4.320 -9.715 258 HB THR 83 HB THR 83 9.304 5.939 -11.052 259 HG1 THR 83 HG1 THR 83 11.627 4.858 -9.917 260 HG21 THR 83 HG21 THR 83 10.030 7.530 -9.368 261 HG22 THR 83 HG22 THR 83 10.312 6.238 -8.186 262 HG23 THR 83 HG23 THR 83 8.658 6.602 -8.735 263 H GLU 84 H GLU 84 11.219 2.710 -10.511 264 HA GLU 84 HA GLU 84 11.885 1.803 -12.549 265 HB2 GLU 84 HB2 GLU 84 9.978 -0.100 -11.192 266 HB3 GLU 84 HB3 GLU 84 10.981 -0.596 -12.562 267 HG2 GLU 84 HG2 GLU 84 12.126 0.542 -9.988 268 HG3 GLU 84 HG3 GLU 84 11.891 -1.179 -10.287 269 H GLU 85 H GLU 85 8.640 0.454 -12.759 270 HA GLU 85 HA GLU 85 7.706 2.004 -14.916 271 HB2 GLU 85 HB2 GLU 85 9.526 0.740 -16.155 272 HB3 GLU 85 HB3 GLU 85 8.668 -0.756 -15.828 273 HG2 GLU 85 HG2 GLU 85 6.769 0.001 -17.172 274 HG3 GLU 85 HG3 GLU 85 7.461 1.628 -17.282 275 H ILE 86 H ILE 86 7.632 -1.472 -14.130 276 HA ILE 86 HA ILE 86 4.737 -1.613 -14.072 277 HB ILE 86 HB ILE 86 6.883 -3.665 -13.429 278 HG12 ILE 86 HG12 ILE 86 7.143 -2.958 -15.728 279 HG13 ILE 86 HG13 ILE 86 6.500 -4.579 -15.671 280 HG21 ILE 86 HG21 ILE 86 3.911 -4.066 -13.863 281 HG22 ILE 86 HG22 ILE 86 5.110 -5.375 -13.913 282 HG23 ILE 86 HG23 ILE 86 4.867 -4.463 -12.423 283 HD11 ILE 86 HD11 ILE 86 5.425 -3.285 -17.437 284 HD12 ILE 86 HD12 ILE 86 4.224 -3.709 -16.206 285 HD13 ILE 86 HD13 ILE 86 4.892 -2.056 -16.281 286 H LYS 87 H LYS 87 3.344 -1.930 -12.426 287 HA LYS 87 HA LYS 87 3.719 -0.759 -9.943 288 HB2 LYS 87 HB2 LYS 87 1.683 -2.686 -11.068 289 HB3 LYS 87 HB3 LYS 87 1.536 -2.114 -9.406 290 HG2 LYS 87 HG2 LYS 87 1.740 -0.140 -11.717 291 HG3 LYS 87 HG3 LYS 87 0.216 -0.875 -11.245 292 HD2 LYS 87 HD2 LYS 87 0.443 -0.010 -8.944 293 HD3 LYS 87 HD3 LYS 87 2.017 0.674 -9.360 294 HE2 LYS 87 HE2 LYS 87 0.538 2.488 -9.394 295 HE3 LYS 87 HE3 LYS 87 0.862 2.138 -11.087 296 HZ1 LYS 87 HZ1 LYS 87 -1.317 1.338 -11.348 297 HZ2 LYS 87 HZ2 LYS 87 -1.546 2.555 -10.302 298 HZ3 LYS 87 HZ3 LYS 87 -1.550 0.995 -9.772 299 H GLY 88 H GLY 88 5.633 -1.506 -8.978 300 HA2 GLY 88 HA2 GLY 88 6.235 -2.255 -6.828 301 HA3 GLY 88 HA3 GLY 88 4.889 -3.415 -6.856 302 H SER 89 H SER 89 7.352 -3.483 -9.428 303 HA SER 89 HA SER 89 7.826 -6.222 -9.300 304 HB2 SER 89 HB2 SER 89 10.023 -5.669 -10.453 305 HB3 SER 89 HB3 SER 89 8.574 -5.047 -11.178 306 HG SER 89 HG SER 89 10.260 -3.469 -11.068 307 H ASP 90 H ASP 90 10.729 -4.302 -8.190 308 HA ASP 90 HA ASP 90 11.733 -6.477 -6.681 309 HB2 ASP 90 HB2 ASP 90 12.394 -3.624 -7.062 310 HB3 ASP 90 HB3 ASP 90 12.862 -4.229 -5.498 311 H CYS 91 H CYS 91 9.172 -4.426 -5.858 312 HA CYS 91 HA CYS 91 9.388 -4.741 -2.928 313 HB2 CYS 91 HB2 CYS 91 7.168 -3.557 -4.647 314 HB3 CYS 91 HB3 CYS 91 7.326 -3.397 -2.899 315 H VAL 92 H VAL 92 8.185 -6.724 -5.449 316 HA VAL 92 HA VAL 92 5.685 -7.361 -4.878 317 HB VAL 92 HB VAL 92 7.002 -8.186 -6.759 318 HG11 VAL 92 HG11 VAL 92 8.186 -10.337 -6.653 319 HG12 VAL 92 HG12 VAL 92 8.930 -9.173 -5.546 320 HG13 VAL 92 HG13 VAL 92 7.873 -10.455 -4.913 321 HG21 VAL 92 HG21 VAL 92 4.698 -9.018 -6.342 322 HG22 VAL 92 HG22 VAL 92 5.727 -10.129 -7.259 323 HG23 VAL 92 HG23 VAL 92 5.397 -10.452 -5.552 324 H ASP 93 H ASP 93 8.120 -8.431 -2.599 325 HA ASP 93 HA ASP 93 6.652 -10.478 -1.197 326 HB2 ASP 93 HB2 ASP 93 8.920 -10.182 -0.612 327 HB3 ASP 93 HB3 ASP 93 8.763 -8.430 -0.490 328 H GLN 94 H GLN 94 6.577 -6.898 -0.928 329 HA GLN 94 HA GLN 94 4.672 -6.939 1.294 330 HB2 GLN 94 HB2 GLN 94 5.762 -4.753 -0.509 331 HB3 GLN 94 HB3 GLN 94 4.613 -4.436 0.808 332 HG2 GLN 94 HG2 GLN 94 6.152 -4.812 2.470 333 HG3 GLN 94 HG3 GLN 94 7.042 -6.028 1.573 334 HE21 GLN 94 HE21 GLN 94 8.926 -5.443 0.540 335 HE22 GLN 94 HE22 GLN 94 9.462 -3.772 0.427 336 H PHE 95 H PHE 95 4.414 -6.832 -2.220 337 HA PHE 95 HA PHE 95 1.539 -6.307 -2.192 338 HB2 PHE 95 HB2 PHE 95 3.475 -7.227 -4.345 339 HB3 PHE 95 HB3 PHE 95 1.748 -7.071 -4.604 340 HD1 PHE 95 HD1 PHE 95 4.861 -5.154 -3.915 341 HD2 PHE 95 HD2 PHE 95 0.637 -4.918 -4.719 342 HE1 PHE 95 HE1 PHE 95 5.057 -2.694 -4.257 343 HE2 PHE 95 HE2 PHE 95 0.845 -2.477 -5.111 344 HZ PHE 95 HZ PHE 95 3.058 -1.359 -4.866 345 H ARG 96 H ARG 96 3.595 -9.263 -2.262 346 HA ARG 96 HA ARG 96 1.490 -11.172 -2.483 347 HB2 ARG 96 HB2 ARG 96 3.956 -11.579 -2.745 348 HB3 ARG 96 HB3 ARG 96 4.141 -11.438 -1.000 349 HG2 ARG 96 HG2 ARG 96 2.669 -13.424 -0.692 350 HG3 ARG 96 HG3 ARG 96 2.503 -13.555 -2.457 351 HD2 ARG 96 HD2 ARG 96 4.977 -13.744 -2.658 352 HD3 ARG 96 HD3 ARG 96 5.123 -13.696 -0.896 353 HE ARG 96 HE ARG 96 3.482 -15.844 -1.256 354 HH11 ARG 96 HH11 ARG 96 6.740 -14.999 -2.419 355 HH12 ARG 96 HH12 ARG 96 7.155 -16.657 -2.739 356 HH21 ARG 96 HH21 ARG 96 4.174 -17.998 -1.602 357 HH22 ARG 96 HH22 ARG 96 5.772 -18.287 -2.296 358 H ALA 97 H ALA 97 3.067 -9.742 0.436 359 HA ALA 97 HA ALA 97 1.336 -10.753 2.419 360 HB1 ALA 97 HB1 ALA 97 3.476 -9.529 2.795 361 HB2 ALA 97 HB2 ALA 97 2.694 -8.014 2.293 362 HB3 ALA 97 HB3 ALA 97 2.146 -8.859 3.751 363 H MET 98 H MET 98 0.920 -7.629 0.593 364 HA MET 98 HA MET 98 -1.542 -6.887 1.707 365 HB2 MET 98 HB2 MET 98 -0.088 -5.529 0.162 366 HB3 MET 98 HB3 MET 98 -0.673 -6.507 -1.183 367 HG2 MET 98 HG2 MET 98 -3.063 -5.727 -0.158 368 HG3 MET 98 HG3 MET 98 -2.073 -4.382 0.401 369 HE1 MET 98 HE1 MET 98 0.079 -4.074 -1.926 370 HE2 MET 98 HE2 MET 98 -0.737 -2.929 -3.013 371 HE3 MET 98 HE3 MET 98 -0.820 -2.683 -1.259 372 H GLN 99 H GLN 99 -1.117 -8.950 -1.252 373 HA GLN 99 HA GLN 99 -3.983 -9.285 -1.551 374 HB2 GLN 99 HB2 GLN 99 -2.357 -9.495 -3.420 375 HB3 GLN 99 HB3 GLN 99 -1.738 -10.990 -2.738 376 HG2 GLN 99 HG2 GLN 99 -3.892 -12.105 -3.034 377 HG3 GLN 99 HG3 GLN 99 -4.679 -10.570 -3.457 378 HE21 GLN 99 HE21 GLN 99 -3.568 -9.428 -5.510 379 HE22 GLN 99 HE22 GLN 99 -3.237 -10.554 -6.810 380 H GLU 100 H GLU 100 -1.455 -11.462 -0.051 381 HA GLU 100 HA GLU 100 -3.511 -13.364 0.469 382 HB2 GLU 100 HB2 GLU 100 -2.062 -14.842 1.279 383 HB3 GLU 100 HB3 GLU 100 -1.267 -14.020 -0.045 384 HG2 GLU 100 HG2 GLU 100 0.062 -12.725 1.725 385 HG3 GLU 100 HG3 GLU 100 -0.654 -13.821 2.928 386 H CYS 101 H CYS 101 -2.683 -10.573 2.138 387 HA CYS 101 HA CYS 101 -3.946 -11.258 4.690 388 HB2 CYS 101 HB2 CYS 101 -2.216 -9.532 4.474 389 HB3 CYS 101 HB3 CYS 101 -3.245 -8.575 3.401 390 H MET 102 H MET 102 -4.996 -9.394 1.747 391 HA MET 102 HA MET 102 -7.612 -8.833 2.839 392 HB2 MET 102 HB2 MET 102 -6.542 -8.743 -0.004 393 HB3 MET 102 HB3 MET 102 -8.126 -8.117 0.493 394 HG2 MET 102 HG2 MET 102 -7.013 -6.601 2.108 395 HG3 MET 102 HG3 MET 102 -5.442 -7.125 1.535 396 HE1 MET 102 HE1 MET 102 -5.527 -5.758 -2.211 397 HE2 MET 102 HE2 MET 102 -4.797 -6.950 -1.114 398 HE3 MET 102 HE3 MET 102 -6.404 -7.252 -1.826 399 H GLN 103 H GLN 103 -6.414 -11.594 1.016 400 HA GLN 103 HA GLN 103 -9.104 -12.650 0.541 401 HB2 GLN 103 HB2 GLN 103 -8.004 -14.542 -0.398 402 HB3 GLN 103 HB3 GLN 103 -7.102 -13.100 -0.901 403 HG2 GLN 103 HG2 GLN 103 -5.476 -13.553 0.962 404 HG3 GLN 103 HG3 GLN 103 -6.318 -15.023 1.348 405 HE21 GLN 103 HE21 GLN 103 -4.269 -16.207 0.891 406 HE22 GLN 103 HE22 GLN 103 -4.034 -16.627 -0.808 407 H LYS 104 H LYS 104 -7.056 -12.621 3.341 408 HA LYS 104 HA LYS 104 -8.631 -14.845 4.616 409 HB2 LYS 104 HB2 LYS 104 -6.065 -13.389 5.416 410 HB3 LYS 104 HB3 LYS 104 -6.925 -14.540 6.440 411 HG2 LYS 104 HG2 LYS 104 -6.633 -16.319 4.712 412 HG3 LYS 104 HG3 LYS 104 -5.759 -15.170 3.692 413 HD2 LYS 104 HD2 LYS 104 -4.154 -16.573 4.848 414 HD3 LYS 104 HD3 LYS 104 -4.011 -14.909 5.399 415 HE2 LYS 104 HE2 LYS 104 -3.824 -16.397 7.311 416 HE3 LYS 104 HE3 LYS 104 -5.321 -15.470 7.454 417 HZ1 LYS 104 HZ1 LYS 104 -5.684 -17.819 7.935 418 HZ2 LYS 104 HZ2 LYS 104 -5.046 -18.264 6.506 419 HZ3 LYS 104 HZ3 LYS 104 -6.483 -17.441 6.536 420 H TYR 105 H TYR 105 -8.161 -11.348 4.686 421 HA TYR 105 HA TYR 105 -10.140 -11.084 6.908 422 HB2 TYR 105 HB2 TYR 105 -8.172 -9.120 5.714 423 HB3 TYR 105 HB3 TYR 105 -9.344 -8.739 6.974 424 HD1 TYR 105 HD2 TYR 105 -8.593 -11.698 8.367 425 HD2 TYR 105 HD1 TYR 105 -6.547 -8.098 7.224 426 HE1 TYR 105 HE2 TYR 105 -6.895 -12.105 10.110 427 HE2 TYR 105 HE1 TYR 105 -4.802 -8.546 8.921 428 HH TYR 105 HH TYR 105 -4.912 -11.362 11.090 429 HA PRO 106 HA PRO 106 -12.560 -10.191 3.107 430 HB2 PRO 106 HB2 PRO 106 -15.067 -10.905 4.022 431 HB3 PRO 106 HB3 PRO 106 -13.851 -12.046 3.409 432 HG2 PRO 106 HG2 PRO 106 -14.430 -11.350 6.285 433 HG3 PRO 106 HG3 PRO 106 -14.219 -12.987 5.559 434 HD2 PRO 106 HD2 PRO 106 -12.197 -11.718 6.874 435 HD3 PRO 106 HD3 PRO 106 -11.883 -12.692 5.401 436 H ASP 107 H ASP 107 -14.131 -9.352 6.286 437 HA ASP 107 HA ASP 107 -13.702 -6.552 5.948 438 HB2 ASP 107 HB2 ASP 107 -15.738 -7.233 4.286 439 HB3 ASP 107 HB3 ASP 107 -16.664 -7.033 5.754 440 H LEU 108 H LEU 108 -13.252 -8.487 7.986 441 HA LEU 108 HA LEU 108 -15.199 -8.134 10.114 442 HB2 LEU 108 HB2 LEU 108 -13.755 -9.360 11.516 443 HB3 LEU 108 HB3 LEU 108 -13.803 -10.131 9.946 444 HG LEU 108 HG LEU 108 -11.647 -10.370 10.875 445 HD11 LEU 108 HD11 LEU 108 -11.733 -9.965 8.427 446 HD12 LEU 108 HD12 LEU 108 -10.190 -9.519 9.168 447 HD13 LEU 108 HD13 LEU 108 -11.339 -8.252 8.707 448 HD21 LEU 108 HD21 LEU 108 -11.186 -7.365 11.045 449 HD22 LEU 108 HD22 LEU 108 -10.134 -8.679 11.578 450 HD23 LEU 108 HD23 LEU 108 -11.661 -8.391 12.419 451 H TYR 109 H TYR 109 -12.938 -6.034 8.877 452 HA TYR 109 HA TYR 109 -12.554 -4.373 11.279 453 HB2 TYR 109 HB2 TYR 109 -11.272 -2.978 9.562 454 HB3 TYR 109 HB3 TYR 109 -10.646 -4.545 10.003 455 HD1 TYR 109 HD2 TYR 109 -12.600 -2.830 7.300 456 HD2 TYR 109 HD1 TYR 109 -10.100 -6.165 8.354 457 HE1 TYR 109 HE2 TYR 109 -12.244 -3.340 4.884 458 HE2 TYR 109 HE1 TYR 109 -9.721 -6.645 5.928 459 HH TYR 109 HH TYR 109 -11.021 -4.556 3.368
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