NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9286 | 1nnv | 5779 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 191.321 -12.672 -4.678 2 HA MET 1 HA MET 1 190.060 -12.441 -2.043 3 1HB MET 1 HB2 MET 1 189.497 -14.391 -3.374 4 2HB MET 1 HB1 MET 1 191.197 -14.700 -3.702 5 1HG MET 1 HG2 MET 1 191.424 -15.868 -1.837 6 2HG MET 1 HG1 MET 1 190.718 -14.575 -0.869 7 1HE MET 1 HE1 MET 1 188.099 -17.641 -3.104 8 2HE MET 1 HE2 MET 1 189.787 -17.299 -3.484 9 3HE MET 1 HE3 MET 1 188.548 -16.085 -3.803 10 H THR 2 HN THR 2 191.673 -10.936 -1.292 11 HA THR 2 HA THR 2 194.270 -12.224 -0.773 12 HB THR 2 HB THR 2 193.557 -9.470 -1.609 13 HG1 THR 2 HG1 THR 2 194.942 -10.022 -3.053 14 1HG2 THR 2 HG21 THR 2 194.478 -8.992 0.610 15 2HG2 THR 2 HG22 THR 2 195.543 -8.447 -0.685 16 3HG2 THR 2 HG23 THR 2 195.921 -9.922 0.203 17 H THR 3 HN THR 3 191.400 -11.238 0.614 18 HA THR 3 HA THR 3 192.641 -11.187 3.272 19 HB THR 3 HB THR 3 192.008 -8.889 2.616 20 HG1 THR 3 HG1 THR 3 191.287 -8.488 4.566 21 1HG2 THR 3 HG21 THR 3 189.748 -10.045 1.508 22 2HG2 THR 3 HG22 THR 3 190.077 -8.323 1.698 23 3HG2 THR 3 HG23 THR 3 189.160 -9.187 2.932 24 H GLU 4 HN GLU 4 190.067 -10.866 4.590 25 HA GLU 4 HA GLU 4 188.939 -13.532 4.046 26 1HB GLU 4 HB2 GLU 4 189.258 -11.998 6.621 27 2HB GLU 4 HB1 GLU 4 188.168 -13.370 6.480 28 1HG GLU 4 HG2 GLU 4 191.138 -13.426 5.993 29 2HG GLU 4 HG1 GLU 4 190.313 -14.011 7.438 30 H ILE 5 HN ILE 5 188.110 -10.276 5.207 31 HA ILE 5 HA ILE 5 185.331 -10.740 4.349 32 HB ILE 5 HB ILE 5 186.175 -8.397 6.023 33 1HG1 ILE 5 HG12 ILE 5 185.135 -10.833 7.396 34 2HG1 ILE 5 HG11 ILE 5 186.839 -10.818 6.949 35 1HG2 ILE 5 HG21 ILE 5 183.894 -8.403 6.740 36 2HG2 ILE 5 HG22 ILE 5 183.599 -9.953 5.952 37 3HG2 ILE 5 HG23 ILE 5 183.921 -8.518 4.980 38 1HD1 ILE 5 HD11 ILE 5 186.725 -8.443 8.112 39 2HD1 ILE 5 HD12 ILE 5 187.000 -9.931 9.018 40 3HD1 ILE 5 HD13 ILE 5 185.388 -9.217 8.963 41 H LYS 6 HN LYS 6 184.624 -9.742 2.583 42 HA LYS 6 HA LYS 6 186.145 -7.420 1.592 43 1HB LYS 6 HB2 LYS 6 185.681 -9.868 0.329 44 2HB LYS 6 HB1 LYS 6 184.558 -8.755 -0.438 45 1HG LYS 6 HG2 LYS 6 187.401 -7.937 -0.093 46 2HG LYS 6 HG1 LYS 6 186.974 -9.074 -1.373 47 1HD LYS 6 HD2 LYS 6 185.062 -7.175 -1.701 48 2HD LYS 6 HD1 LYS 6 186.416 -6.197 -1.130 49 1HE LYS 6 HE2 LYS 6 186.513 -6.273 -3.518 50 2HE LYS 6 HE1 LYS 6 187.832 -7.259 -2.886 51 1HZ LYS 6 HZ1 LYS 6 186.167 -8.087 -4.777 52 2HZ LYS 6 HZ2 LYS 6 185.337 -8.652 -3.416 53 3HZ LYS 6 HZ3 LYS 6 186.932 -9.141 -3.696 54 H LYS 7 HN LYS 7 185.055 -5.616 0.965 55 HA LYS 7 HA LYS 7 182.254 -5.464 1.743 56 1HB LYS 7 HB2 LYS 7 182.530 -3.052 1.574 57 2HB LYS 7 HB1 LYS 7 183.805 -3.751 2.564 58 1HG LYS 7 HG2 LYS 7 185.377 -2.933 1.243 59 2HG LYS 7 HG1 LYS 7 184.617 -3.630 -0.193 60 1HD LYS 7 HD2 LYS 7 183.307 -1.729 -0.562 61 2HD LYS 7 HD1 LYS 7 183.551 -1.131 1.080 62 1HE LYS 7 HE2 LYS 7 185.541 -1.196 -1.179 63 2HE LYS 7 HE1 LYS 7 184.868 0.221 -0.374 64 1HZ LYS 7 HZ1 LYS 7 186.919 0.026 0.611 65 2HZ LYS 7 HZ2 LYS 7 186.907 -1.665 0.592 66 3HZ LYS 7 HZ3 LYS 7 185.955 -0.826 1.710 67 H LEU 8 HN LEU 8 181.066 -3.677 0.240 68 HA LEU 8 HA LEU 8 181.241 -4.759 -2.493 69 1HB LEU 8 HB2 LEU 8 179.017 -4.323 -0.686 70 2HB LEU 8 HB1 LEU 8 178.767 -3.490 -2.208 71 HG LEU 8 HG LEU 8 179.466 -6.417 -2.041 72 1HD1 LEU 8 HD11 LEU 8 176.715 -5.264 -2.432 73 2HD1 LEU 8 HD12 LEU 8 177.315 -5.827 -0.872 74 3HD1 LEU 8 HD13 LEU 8 177.168 -6.956 -2.219 75 1HD2 LEU 8 HD21 LEU 8 179.946 -5.659 -4.192 76 2HD2 LEU 8 HD22 LEU 8 178.572 -4.554 -4.213 77 3HD2 LEU 8 HD23 LEU 8 178.307 -6.294 -4.332 78 H ASP 9 HN ASP 9 181.198 -3.368 -4.238 79 HA ASP 9 HA ASP 9 182.318 -0.809 -3.870 80 1HB ASP 9 HB2 ASP 9 181.708 -2.539 -6.065 81 2HB ASP 9 HB1 ASP 9 181.104 -0.928 -6.439 82 HA PRO 10 HA PRO 10 178.988 1.947 -3.054 83 1HB PRO 10 HB2 PRO 10 180.040 3.573 -5.323 84 2HB PRO 10 HB1 PRO 10 179.679 4.059 -3.658 85 1HG PRO 10 HG2 PRO 10 182.195 3.703 -4.451 86 2HG PRO 10 HG1 PRO 10 181.669 3.191 -2.836 87 1HD PRO 10 HD2 PRO 10 182.217 1.545 -5.264 88 2HD PRO 10 HD1 PRO 10 182.505 1.167 -3.553 89 H ASP 11 HN ASP 11 179.647 1.794 -6.562 90 HA ASP 11 HA ASP 11 176.921 2.205 -7.273 91 1HB ASP 11 HB2 ASP 11 179.448 1.604 -8.713 92 2HB ASP 11 HB1 ASP 11 177.948 1.187 -9.536 93 H THR 12 HN THR 12 178.929 -0.621 -6.767 94 HA THR 12 HA THR 12 177.216 -2.523 -7.958 95 HB THR 12 HB THR 12 179.048 -3.084 -5.633 96 HG1 THR 12 HG1 THR 12 179.753 -2.781 -8.362 97 1HG2 THR 12 HG21 THR 12 179.166 -5.232 -6.350 98 2HG2 THR 12 HG22 THR 12 178.853 -4.807 -8.033 99 3HG2 THR 12 HG23 THR 12 177.526 -4.845 -6.872 100 H ALA 13 HN ALA 13 177.635 -1.587 -4.540 101 HA ALA 13 HA ALA 13 175.630 -3.232 -3.492 102 1HB ALA 13 HB1 ALA 13 177.475 -1.585 -2.414 103 2HB ALA 13 HB2 ALA 13 176.121 -2.270 -1.515 104 3HB ALA 13 HB3 ALA 13 176.012 -0.633 -2.162 105 H ILE 14 HN ILE 14 175.491 0.163 -4.531 106 HA ILE 14 HA ILE 14 172.793 0.616 -3.914 107 HB ILE 14 HB ILE 14 174.522 1.887 -6.041 108 1HG1 ILE 14 HG12 ILE 14 173.716 2.956 -3.332 109 2HG1 ILE 14 HG11 ILE 14 175.224 2.094 -3.622 110 1HG2 ILE 14 HG21 ILE 14 171.847 2.767 -4.965 111 2HG2 ILE 14 HG22 ILE 14 172.194 2.214 -6.603 112 3HG2 ILE 14 HG23 ILE 14 172.886 3.728 -6.019 113 1HD1 ILE 14 HD11 ILE 14 174.612 4.425 -5.345 114 2HD1 ILE 14 HD12 ILE 14 176.159 3.833 -4.741 115 3HD1 ILE 14 HD13 ILE 14 175.078 4.726 -3.671 116 H ASP 15 HN ASP 15 174.350 -0.619 -6.823 117 HA ASP 15 HA ASP 15 172.157 -0.653 -8.543 118 1HB ASP 15 HB2 ASP 15 174.553 -1.131 -9.156 119 2HB ASP 15 HB1 ASP 15 174.345 -2.738 -8.466 120 H ILE 16 HN ILE 16 173.380 -3.317 -6.509 121 HA ILE 16 HA ILE 16 171.333 -5.135 -7.059 122 HB ILE 16 HB ILE 16 172.816 -4.928 -4.437 123 1HG1 ILE 16 HG12 ILE 16 173.846 -6.838 -6.394 124 2HG1 ILE 16 HG11 ILE 16 173.967 -5.168 -6.954 125 1HG2 ILE 16 HG21 ILE 16 172.100 -7.020 -3.963 126 2HG2 ILE 16 HG22 ILE 16 172.096 -7.522 -5.654 127 3HG2 ILE 16 HG23 ILE 16 170.767 -6.552 -5.019 128 1HD1 ILE 16 HD11 ILE 16 175.182 -6.406 -4.509 129 2HD1 ILE 16 HD12 ILE 16 175.062 -4.660 -4.728 130 3HD1 ILE 16 HD13 ILE 16 175.991 -5.630 -5.871 131 H ALA 17 HN ALA 17 171.667 -2.942 -4.267 132 HA ALA 17 HA ALA 17 169.249 -3.563 -3.028 133 1HB ALA 17 HB1 ALA 17 170.831 -1.001 -3.020 134 2HB ALA 17 HB2 ALA 17 170.897 -2.311 -1.840 135 3HB ALA 17 HB3 ALA 17 169.449 -1.311 -1.968 136 H TYR 18 HN TYR 18 169.973 -1.204 -5.558 137 HA TYR 18 HA TYR 18 167.564 0.167 -5.639 138 1HB TYR 18 HB2 TYR 18 169.578 0.774 -6.952 139 2HB TYR 18 HB1 TYR 18 169.285 -0.605 -8.006 140 HD1 TYR 18 HD1 TYR 18 168.156 2.749 -7.053 141 HD2 TYR 18 HD2 TYR 18 167.491 -0.566 -9.636 142 HE1 TYR 18 HE1 TYR 18 166.707 4.147 -8.465 143 HE2 TYR 18 HE2 TYR 18 166.041 0.823 -11.056 144 HH TYR 18 HH TYR 18 164.597 3.393 -10.253 145 H ASP 19 HN ASP 19 168.479 -2.793 -7.387 146 HA ASP 19 HA ASP 19 166.006 -3.151 -8.689 147 1HB ASP 19 HB2 ASP 19 168.429 -4.354 -8.871 148 2HB ASP 19 HB1 ASP 19 167.531 -5.587 -7.980 149 H ILE 20 HN ILE 20 167.150 -3.992 -5.500 150 HA ILE 20 HA ILE 20 165.045 -5.817 -4.880 151 HB ILE 20 HB ILE 20 166.815 -4.267 -2.986 152 1HG1 ILE 20 HG12 ILE 20 167.195 -7.154 -3.701 153 2HG1 ILE 20 HG11 ILE 20 167.823 -5.902 -4.777 154 1HG2 ILE 20 HG21 ILE 20 165.319 -6.829 -2.468 155 2HG2 ILE 20 HG22 ILE 20 164.695 -5.235 -2.039 156 3HG2 ILE 20 HG23 ILE 20 166.186 -5.827 -1.304 157 1HD1 ILE 20 HD11 ILE 20 169.100 -6.988 -2.590 158 2HD1 ILE 20 HD12 ILE 20 168.534 -5.420 -2.012 159 3HD1 ILE 20 HD13 ILE 20 169.555 -5.515 -3.447 160 H PHE 21 HN PHE 21 165.399 -2.352 -4.748 161 HA PHE 21 HA PHE 21 163.168 -1.938 -2.983 162 1HB PHE 21 HB2 PHE 21 164.897 -0.268 -3.020 163 2HB PHE 21 HB1 PHE 21 164.759 -0.084 -4.764 164 HD1 PHE 21 HD1 PHE 21 162.258 -0.076 -1.991 165 HD2 PHE 21 HD2 PHE 21 163.986 2.007 -5.274 166 HE1 PHE 21 HE1 PHE 21 160.655 1.762 -1.664 167 HE2 PHE 21 HE2 PHE 21 162.389 3.849 -4.952 168 HZ PHE 21 HZ PHE 21 160.719 3.728 -3.145 169 H LEU 22 HN LEU 22 163.688 -2.278 -6.390 170 HA LEU 22 HA LEU 22 161.149 -1.195 -7.194 171 1HB LEU 22 HB2 LEU 22 163.584 -1.955 -8.424 172 2HB LEU 22 HB1 LEU 22 162.317 -2.922 -9.164 173 HG LEU 22 HG LEU 22 161.163 -0.976 -9.927 174 1HD1 LEU 22 HD11 LEU 22 162.812 0.372 -7.894 175 2HD1 LEU 22 HD12 LEU 22 161.182 0.736 -8.461 176 3HD1 LEU 22 HD13 LEU 22 162.580 1.261 -9.399 177 1HD2 LEU 22 HD21 LEU 22 162.568 -0.649 -11.626 178 2HD2 LEU 22 HD22 LEU 22 163.669 -1.721 -10.757 179 3HD2 LEU 22 HD23 LEU 22 163.816 0.028 -10.578 180 H GLU 23 HN GLU 23 162.486 -4.364 -6.532 181 HA GLU 23 HA GLU 23 160.065 -5.693 -7.458 182 1HB GLU 23 HB2 GLU 23 161.251 -7.766 -7.091 183 2HB GLU 23 HB1 GLU 23 162.273 -6.655 -7.993 184 1HG GLU 23 HG2 GLU 23 163.413 -6.073 -5.868 185 2HG GLU 23 HG1 GLU 23 162.466 -7.326 -5.067 186 H MET 24 HN MET 24 161.761 -5.053 -4.413 187 HA MET 24 HA MET 24 159.965 -6.668 -2.862 188 1HB MET 24 HB2 MET 24 162.042 -4.624 -2.098 189 2HB MET 24 HB1 MET 24 161.027 -5.427 -0.916 190 1HG MET 24 HG2 MET 24 161.910 -7.597 -2.094 191 2HG MET 24 HG1 MET 24 163.229 -6.525 -2.579 192 1HE MET 24 HE1 MET 24 161.438 -5.862 0.970 193 2HE MET 24 HE2 MET 24 162.030 -7.302 1.799 194 3HE MET 24 HE3 MET 24 160.985 -7.464 0.388 195 H ALA 25 HN ALA 25 160.424 -3.158 -3.256 196 HA ALA 25 HA ALA 25 158.513 -2.183 -1.567 197 1HB ALA 25 HB1 ALA 25 159.990 -0.762 -2.894 198 2HB ALA 25 HB2 ALA 25 158.308 -0.251 -3.039 199 3HB ALA 25 HB3 ALA 25 159.071 -1.156 -4.347 200 H GLY 26 HN GLY 26 156.649 -3.341 -1.317 201 1HA GLY 26 HA2 GLY 26 154.617 -2.933 -3.338 202 2HA GLY 26 HA1 GLY 26 155.046 -4.616 -3.070 203 H GLU 27 HN GLU 27 153.845 -5.665 -1.640 204 HA GLU 27 HA GLU 27 151.841 -4.373 -0.120 205 1HB GLU 27 HB2 GLU 27 151.497 -6.627 0.898 206 2HB GLU 27 HB1 GLU 27 151.481 -6.625 -0.861 207 1HG GLU 27 HG2 GLU 27 154.144 -7.090 -0.058 208 2HG GLU 27 HG1 GLU 27 153.113 -8.130 0.922 209 H ASN 28 HN ASN 28 155.075 -5.502 0.652 210 HA ASN 28 HA ASN 28 154.898 -5.381 3.453 211 1HB ASN 28 HB2 ASN 28 157.128 -5.326 1.466 212 2HB ASN 28 HB1 ASN 28 157.484 -4.865 3.137 213 1HD2 ASN 28 HD21 ASN 28 156.167 -7.423 1.109 214 2HD2 ASN 28 HD22 ASN 28 156.535 -8.720 2.189 215 H LEU 29 HN LEU 29 155.204 -2.905 1.053 216 HA LEU 29 HA LEU 29 155.933 -0.893 3.038 217 1HB LEU 29 HB2 LEU 29 156.882 -1.119 0.623 218 2HB LEU 29 HB1 LEU 29 155.393 -0.326 0.147 219 HG LEU 29 HG LEU 29 157.222 0.885 2.209 220 1HD1 LEU 29 HD11 LEU 29 158.068 0.353 -0.332 221 2HD1 LEU 29 HD12 LEU 29 158.646 1.684 0.670 222 3HD1 LEU 29 HD13 LEU 29 157.368 1.961 -0.513 223 1HD2 LEU 29 HD21 LEU 29 155.875 2.743 0.547 224 2HD2 LEU 29 HD22 LEU 29 155.649 2.440 2.270 225 3HD2 LEU 29 HD23 LEU 29 154.699 1.547 1.085 226 H ASP 30 HN ASP 30 154.666 0.967 3.425 227 HA ASP 30 HA ASP 30 151.906 0.503 3.661 228 1HB ASP 30 HB2 ASP 30 153.672 2.891 4.043 229 2HB ASP 30 HB1 ASP 30 151.923 3.093 4.089 230 HA PRO 31 HA PRO 31 150.226 1.359 -0.345 231 1HB PRO 31 HB2 PRO 31 148.109 2.754 1.238 232 2HB PRO 31 HB1 PRO 31 147.946 1.551 -0.053 233 1HG PRO 31 HG2 PRO 31 147.606 0.852 2.489 234 2HG PRO 31 HG1 PRO 31 148.449 -0.223 1.358 235 1HD PRO 31 HD2 PRO 31 149.557 1.500 3.524 236 2HD PRO 31 HD1 PRO 31 150.113 -0.085 2.941 237 H ALA 32 HN ALA 32 149.381 4.104 1.786 238 HA ALA 32 HA ALA 32 149.437 6.107 -0.073 239 1HB ALA 32 HB1 ALA 32 150.422 6.388 2.762 240 2HB ALA 32 HB2 ALA 32 148.724 6.356 2.283 241 3HB ALA 32 HB3 ALA 32 149.771 7.664 1.733 242 H ASP 33 HN ASP 33 152.191 4.834 1.746 243 HA ASP 33 HA ASP 33 154.099 6.662 0.747 244 1HB ASP 33 HB2 ASP 33 154.165 4.095 2.236 245 2HB ASP 33 HB1 ASP 33 155.640 4.557 1.393 246 H ILE 34 HN ILE 34 152.752 3.706 -0.520 247 HA ILE 34 HA ILE 34 154.773 3.163 -2.437 248 HB ILE 34 HB ILE 34 151.851 2.398 -2.371 249 1HG1 ILE 34 HG12 ILE 34 154.102 0.466 -2.068 250 2HG1 ILE 34 HG11 ILE 34 153.741 1.534 -0.709 251 1HG2 ILE 34 HG21 ILE 34 152.419 0.734 -4.104 252 2HG2 ILE 34 HG22 ILE 34 154.011 1.477 -4.259 253 3HG2 ILE 34 HG23 ILE 34 152.564 2.397 -4.672 254 1HD1 ILE 34 HD11 ILE 34 151.337 0.341 -1.754 255 2HD1 ILE 34 HD12 ILE 34 152.003 0.298 -0.121 256 3HD1 ILE 34 HD13 ILE 34 152.526 -0.886 -1.318 257 H LEU 35 HN LEU 35 151.680 4.885 -2.600 258 HA LEU 35 HA LEU 35 151.725 5.562 -5.305 259 1HB LEU 35 HB2 LEU 35 149.762 5.820 -3.857 260 2HB LEU 35 HB1 LEU 35 150.567 7.111 -2.986 261 HG LEU 35 HG LEU 35 150.651 7.984 -5.605 262 1HD1 LEU 35 HD11 LEU 35 148.453 7.734 -6.521 263 2HD1 LEU 35 HD12 LEU 35 147.917 6.826 -5.108 264 3HD1 LEU 35 HD13 LEU 35 149.110 6.128 -6.203 265 1HD2 LEU 35 HD21 LEU 35 148.460 8.638 -3.652 266 2HD2 LEU 35 HD22 LEU 35 149.176 9.685 -4.878 267 3HD2 LEU 35 HD23 LEU 35 150.118 9.208 -3.465 268 H LEU 36 HN LEU 36 152.607 7.666 -2.559 269 HA LEU 36 HA LEU 36 153.597 9.827 -3.895 270 1HB LEU 36 HB2 LEU 36 153.390 9.467 -1.393 271 2HB LEU 36 HB1 LEU 36 154.952 8.675 -1.464 272 HG LEU 36 HG LEU 36 155.780 10.873 -2.543 273 1HD1 LEU 36 HD11 LEU 36 153.930 12.142 -3.009 274 2HD1 LEU 36 HD12 LEU 36 154.377 12.789 -1.430 275 3HD1 LEU 36 HD13 LEU 36 153.067 11.615 -1.564 276 1HD2 LEU 36 HD21 LEU 36 155.571 11.873 -0.019 277 2HD2 LEU 36 HD22 LEU 36 156.768 10.687 -0.539 278 3HD2 LEU 36 HD23 LEU 36 155.286 10.154 0.254 279 H PHE 37 HN PHE 37 155.367 6.859 -3.140 280 HA PHE 37 HA PHE 37 157.858 7.670 -4.182 281 1HB PHE 37 HB2 PHE 37 158.099 5.817 -2.845 282 2HB PHE 37 HB1 PHE 37 156.603 5.082 -3.406 283 HD1 PHE 37 HD1 PHE 37 159.832 6.112 -4.985 284 HD2 PHE 37 HD2 PHE 37 156.913 3.066 -4.430 285 HE1 PHE 37 HE1 PHE 37 161.123 4.613 -6.448 286 HE2 PHE 37 HE2 PHE 37 158.199 1.561 -5.891 287 HZ PHE 37 HZ PHE 37 160.307 2.335 -6.903 288 H ASN 38 HN ASN 38 154.957 6.495 -5.683 289 HA ASN 38 HA ASN 38 156.224 5.767 -8.162 290 1HB ASN 38 HB2 ASN 38 153.469 5.768 -7.076 291 2HB ASN 38 HB1 ASN 38 153.611 5.950 -8.822 292 1HD2 ASN 38 HD21 ASN 38 155.343 4.065 -6.361 293 2HD2 ASN 38 HD22 ASN 38 155.164 2.536 -7.166 294 H LEU 39 HN LEU 39 154.440 8.553 -6.925 295 HA LEU 39 HA LEU 39 154.480 9.881 -9.491 296 1HB LEU 39 HB2 LEU 39 153.569 10.737 -6.753 297 2HB LEU 39 HB1 LEU 39 153.534 11.805 -8.143 298 HG LEU 39 HG LEU 39 151.344 10.927 -7.885 299 1HD1 LEU 39 HD11 LEU 39 152.252 11.024 -10.194 300 2HD1 LEU 39 HD12 LEU 39 150.973 9.828 -9.984 301 3HD1 LEU 39 HD13 LEU 39 152.659 9.313 -10.062 302 1HD2 LEU 39 HD21 LEU 39 150.803 8.647 -7.604 303 2HD2 LEU 39 HD22 LEU 39 152.129 8.971 -6.488 304 3HD2 LEU 39 HD23 LEU 39 152.440 8.131 -8.007 305 H GLN 40 HN GLN 40 156.171 10.161 -6.399 306 HA GLN 40 HA GLN 40 158.057 11.994 -7.718 307 1HB GLN 40 HB2 GLN 40 158.522 12.786 -5.300 308 2HB GLN 40 HB1 GLN 40 157.086 13.372 -6.124 309 1HG GLN 40 HG2 GLN 40 155.714 11.771 -4.932 310 2HG GLN 40 HG1 GLN 40 157.145 11.098 -4.155 311 1HE2 GLN 40 HE21 GLN 40 154.866 13.705 -4.194 312 2HE2 GLN 40 HE22 GLN 40 155.408 14.475 -2.747 313 H PHE 41 HN PHE 41 159.745 10.828 -8.219 314 HA PHE 41 HA PHE 41 161.406 9.698 -6.189 315 1HB PHE 41 HB2 PHE 41 159.875 7.805 -6.473 316 2HB PHE 41 HB1 PHE 41 160.173 7.810 -8.214 317 HD1 PHE 41 HD1 PHE 41 162.174 7.741 -5.059 318 HD2 PHE 41 HD2 PHE 41 161.614 6.203 -8.987 319 HE1 PHE 41 HE1 PHE 41 164.077 6.218 -4.728 320 HE2 PHE 41 HE2 PHE 41 163.516 4.675 -8.663 321 HZ PHE 41 HZ PHE 41 164.752 4.682 -6.530 322 H GLU 42 HN GLU 42 160.645 10.041 -9.594 323 HA GLU 42 HA GLU 42 163.249 9.598 -10.611 324 1HB GLU 42 HB2 GLU 42 161.186 9.575 -12.003 325 2HB GLU 42 HB1 GLU 42 161.053 11.316 -11.789 326 1HG GLU 42 HG2 GLU 42 162.081 11.249 -13.812 327 2HG GLU 42 HG1 GLU 42 163.496 11.288 -12.760 328 H GLU 43 HN GLU 43 161.474 12.668 -10.274 329 HA GLU 43 HA GLU 43 163.821 14.258 -10.507 330 1HB GLU 43 HB2 GLU 43 162.359 16.136 -9.905 331 2HB GLU 43 HB1 GLU 43 161.631 15.126 -11.147 332 1HG GLU 43 HG2 GLU 43 160.750 14.093 -8.695 333 2HG GLU 43 HG1 GLU 43 160.626 15.847 -8.564 334 H ARG 44 HN ARG 44 162.132 12.779 -7.838 335 HA ARG 44 HA ARG 44 164.045 14.042 -5.986 336 1HB ARG 44 HB2 ARG 44 161.154 13.289 -5.583 337 2HB ARG 44 HB1 ARG 44 162.246 13.550 -4.229 338 1HG ARG 44 HG2 ARG 44 162.706 15.817 -5.520 339 2HG ARG 44 HG1 ARG 44 161.084 15.496 -6.136 340 1HD ARG 44 HD2 ARG 44 160.360 15.185 -3.743 341 2HD ARG 44 HD1 ARG 44 161.942 15.799 -3.266 342 HE ARG 44 HE ARG 44 161.265 17.916 -3.835 343 1HH1 ARG 44 HH11 ARG 44 158.983 15.602 -5.109 344 2HH1 ARG 44 HH12 ARG 44 157.829 16.808 -5.572 345 1HH2 ARG 44 HH21 ARG 44 159.749 19.502 -4.444 346 2HH2 ARG 44 HH22 ARG 44 158.264 19.022 -5.195 347 H GLY 45 HN GLY 45 165.136 11.981 -7.070 348 1HA GLY 45 HA2 GLY 45 164.398 9.528 -5.670 349 2HA GLY 45 HA1 GLY 45 165.596 9.678 -6.951 350 H GLY 46 HN GLY 46 165.478 8.644 -4.019 351 1HA GLY 46 HA2 GLY 46 168.117 9.741 -3.324 352 2HA GLY 46 HA1 GLY 46 166.851 9.699 -2.105 353 H VAL 47 HN VAL 47 169.544 8.170 -3.021 354 HA VAL 47 HA VAL 47 168.762 5.732 -1.658 355 HB VAL 47 HB VAL 47 170.087 4.443 -3.557 356 1HG1 VAL 47 HG11 VAL 47 168.099 3.479 -3.793 357 2HG1 VAL 47 HG12 VAL 47 167.481 4.872 -4.681 358 3HG1 VAL 47 HG13 VAL 47 167.370 4.828 -2.920 359 1HG2 VAL 47 HG21 VAL 47 168.971 6.830 -5.032 360 2HG2 VAL 47 HG22 VAL 47 169.549 5.349 -5.796 361 3HG2 VAL 47 HG23 VAL 47 170.668 6.369 -4.891 362 H GLU 48 HN GLU 48 170.208 7.100 -0.234 363 HA GLU 48 HA GLU 48 173.009 7.176 -0.892 364 1HB GLU 48 HB2 GLU 48 171.428 7.908 1.563 365 2HB GLU 48 HB1 GLU 48 173.185 7.953 1.542 366 1HG GLU 48 HG2 GLU 48 171.384 9.503 -0.304 367 2HG GLU 48 HG1 GLU 48 172.181 10.148 1.130 368 H PHE 49 HN PHE 49 174.520 5.731 -0.429 369 HA PHE 49 HA PHE 49 173.752 3.294 0.967 370 1HB PHE 49 HB2 PHE 49 174.924 3.107 -1.183 371 2HB PHE 49 HB1 PHE 49 176.293 3.996 -0.520 372 HD1 PHE 49 HD1 PHE 49 174.550 0.805 -0.638 373 HD2 PHE 49 HD2 PHE 49 177.769 2.963 1.120 374 HE1 PHE 49 HE1 PHE 49 175.537 -1.309 0.141 375 HE2 PHE 49 HE2 PHE 49 178.762 0.852 1.902 376 HZ PHE 49 HZ PHE 49 177.645 -1.286 1.413 377 H VAL 50 HN VAL 50 173.725 3.819 3.132 378 HA VAL 50 HA VAL 50 176.058 5.080 4.333 379 HB VAL 50 HB VAL 50 174.736 4.830 6.470 380 1HG1 VAL 50 HG11 VAL 50 173.736 6.410 4.128 381 2HG1 VAL 50 HG12 VAL 50 174.678 6.954 5.517 382 3HG1 VAL 50 HG13 VAL 50 172.974 6.540 5.714 383 1HG2 VAL 50 HG21 VAL 50 172.839 3.670 6.553 384 2HG2 VAL 50 HG22 VAL 50 173.218 3.078 4.935 385 3HG2 VAL 50 HG23 VAL 50 172.192 4.498 5.136 386 H GLU 51 HN GLU 51 176.584 4.021 6.624 387 HA GLU 51 HA GLU 51 177.276 1.229 6.037 388 1HB GLU 51 HB2 GLU 51 178.502 3.042 8.120 389 2HB GLU 51 HB1 GLU 51 179.105 1.478 7.587 390 1HG GLU 51 HG2 GLU 51 179.931 2.310 5.619 391 2HG GLU 51 HG1 GLU 51 178.800 3.662 5.589 392 H THR 52 HN THR 52 177.729 0.079 8.338 393 HA THR 52 HA THR 52 175.130 -0.275 9.467 394 HB THR 52 HB THR 52 177.782 -1.383 10.403 395 HG1 THR 52 HG1 THR 52 177.450 -2.031 8.309 396 1HG2 THR 52 HG21 THR 52 176.330 -1.895 12.124 397 2HG2 THR 52 HG22 THR 52 176.230 -3.316 11.084 398 3HG2 THR 52 HG23 THR 52 174.953 -2.100 11.038 399 H ALA 53 HN ALA 53 174.795 -0.291 11.865 400 HA ALA 53 HA ALA 53 176.293 1.801 13.265 401 1HB ALA 53 HB1 ALA 53 173.455 1.898 12.467 402 2HB ALA 53 HB2 ALA 53 174.602 3.208 12.750 403 3HB ALA 53 HB3 ALA 53 173.818 2.411 14.114 404 H ASP 54 HN ASP 54 175.508 1.915 15.629 405 HA ASP 54 HA ASP 54 175.515 -0.811 16.649 406 1HB ASP 54 HB2 ASP 54 176.423 1.791 17.598 407 2HB ASP 54 HB1 ASP 54 175.538 0.905 18.836 408 H ASP 55 HN ASP 55 173.413 1.949 16.428 409 HA ASP 55 HA ASP 55 171.501 0.896 18.328 410 1HB ASP 55 HB2 ASP 55 172.039 3.434 17.154 411 2HB ASP 55 HB1 ASP 55 170.378 3.005 16.760 412 H TRP 56 HN TRP 56 171.899 -0.997 16.397 413 HA TRP 56 HA TRP 56 169.729 -0.773 14.465 414 1HB TRP 56 HB2 TRP 56 172.185 -2.340 14.701 415 2HB TRP 56 HB1 TRP 56 170.797 -3.316 14.204 416 HD1 TRP 56 HD1 TRP 56 173.484 -1.448 12.716 417 HE1 TRP 56 HE1 TRP 56 172.934 -0.714 10.309 418 HE3 TRP 56 HE3 TRP 56 168.433 -2.218 12.769 419 HZ2 TRP 56 HZ2 TRP 56 170.654 -0.493 8.653 420 HZ3 TRP 56 HZ3 TRP 56 167.140 -1.724 10.735 421 HH2 TRP 56 HH2 TRP 56 168.229 -0.883 8.718 422 H GLU 57 HN GLU 57 170.710 -2.750 17.221 423 HA GLU 57 HA GLU 57 168.523 -4.535 17.157 424 1HB GLU 57 HB2 GLU 57 169.157 -4.957 19.572 425 2HB GLU 57 HB1 GLU 57 170.436 -5.197 18.390 426 1HG GLU 57 HG2 GLU 57 171.643 -3.414 19.121 427 2HG GLU 57 HG1 GLU 57 170.219 -2.531 19.668 428 H GLU 58 HN GLU 58 167.010 -2.603 16.678 429 HA GLU 58 HA GLU 58 165.373 -2.216 18.996 430 1HB GLU 58 HB2 GLU 58 167.170 -0.101 18.042 431 2HB GLU 58 HB1 GLU 58 165.496 0.409 18.211 432 1HG GLU 58 HG2 GLU 58 165.827 0.681 20.378 433 2HG GLU 58 HG1 GLU 58 166.118 -1.051 20.530 434 H GLU 59 HN GLU 59 166.054 -1.064 15.707 435 HA GLU 59 HA GLU 59 163.259 -0.694 15.117 436 1HB GLU 59 HB2 GLU 59 164.310 -0.467 12.695 437 2HB GLU 59 HB1 GLU 59 164.428 0.827 13.876 438 1HG GLU 59 HG2 GLU 59 166.621 -1.143 13.896 439 2HG GLU 59 HG1 GLU 59 166.508 -0.115 12.470 440 H ILE 60 HN ILE 60 165.660 -2.608 13.286 441 HA ILE 60 HA ILE 60 163.737 -4.292 12.132 442 HB ILE 60 HB ILE 60 165.660 -5.794 11.584 443 1HG1 ILE 60 HG12 ILE 60 167.224 -3.705 13.123 444 2HG1 ILE 60 HG11 ILE 60 167.045 -5.407 13.553 445 1HG2 ILE 60 HG21 ILE 60 165.396 -2.956 10.871 446 2HG2 ILE 60 HG22 ILE 60 165.433 -4.389 9.844 447 3HG2 ILE 60 HG23 ILE 60 166.939 -3.698 10.447 448 1HD1 ILE 60 HD11 ILE 60 168.564 -4.228 11.244 449 2HD1 ILE 60 HD12 ILE 60 168.186 -5.946 11.373 450 3HD1 ILE 60 HD13 ILE 60 169.186 -5.170 12.600 451 H GLY 61 HN GLY 61 165.456 -4.464 15.167 452 1HA GLY 61 HA2 GLY 61 164.693 -5.691 17.028 453 2HA GLY 61 HA1 GLY 61 163.756 -6.708 15.946 454 H VAL 62 HN VAL 62 167.218 -5.888 15.940 455 HA VAL 62 HA VAL 62 168.174 -8.247 17.058 456 HB VAL 62 HB VAL 62 169.099 -8.966 14.562 457 1HG1 VAL 62 HG11 VAL 62 168.219 -10.273 16.610 458 2HG1 VAL 62 HG12 VAL 62 168.120 -11.006 15.007 459 3HG1 VAL 62 HG13 VAL 62 166.687 -10.279 15.735 460 1HG2 VAL 62 HG21 VAL 62 166.145 -8.840 14.172 461 2HG2 VAL 62 HG22 VAL 62 167.435 -8.987 12.979 462 3HG2 VAL 62 HG23 VAL 62 167.128 -7.435 13.758 463 H LEU 63 HN LEU 63 170.281 -7.995 17.505 464 HA LEU 63 HA LEU 63 171.601 -5.607 16.782 465 1HB LEU 63 HB2 LEU 63 173.502 -6.505 17.992 466 2HB LEU 63 HB1 LEU 63 172.020 -6.783 18.887 467 HG LEU 63 HG LEU 63 172.214 -9.119 17.519 468 1HD1 LEU 63 HD11 LEU 63 174.438 -9.883 17.408 469 2HD1 LEU 63 HD12 LEU 63 175.049 -8.474 18.275 470 3HD1 LEU 63 HD13 LEU 63 174.439 -8.300 16.630 471 1HD2 LEU 63 HD21 LEU 63 171.778 -8.974 19.873 472 2HD2 LEU 63 HD22 LEU 63 173.414 -8.395 20.187 473 3HD2 LEU 63 HD23 LEU 63 173.155 -10.047 19.626 474 H ILE 64 HN ILE 64 173.219 -5.189 15.339 475 HA ILE 64 HA ILE 64 173.942 -7.365 13.487 476 HB ILE 64 HB ILE 64 173.552 -4.474 12.711 477 1HG1 ILE 64 HG12 ILE 64 171.404 -5.472 13.313 478 2HG1 ILE 64 HG11 ILE 64 171.504 -5.242 11.570 479 1HG2 ILE 64 HG21 ILE 64 175.182 -5.830 11.390 480 2HG2 ILE 64 HG22 ILE 64 173.819 -5.211 10.458 481 3HG2 ILE 64 HG23 ILE 64 173.850 -6.903 10.957 482 1HD1 ILE 64 HD11 ILE 64 171.130 -7.662 13.102 483 2HD1 ILE 64 HD12 ILE 64 172.463 -7.803 11.955 484 3HD1 ILE 64 HD13 ILE 64 170.855 -7.352 11.388 485 H ASP 65 HN ASP 65 176.041 -7.386 12.697 486 HA ASP 65 HA ASP 65 178.015 -6.193 14.380 487 1HB ASP 65 HB2 ASP 65 177.917 -8.240 12.333 488 2HB ASP 65 HB1 ASP 65 179.313 -7.191 12.106 489 HA PRO 66 HA PRO 66 178.210 -2.425 11.968 490 1HB PRO 66 HB2 PRO 66 180.475 -1.653 13.605 491 2HB PRO 66 HB1 PRO 66 178.863 -0.939 13.531 492 1HG PRO 66 HG2 PRO 66 179.788 -2.341 15.681 493 2HG PRO 66 HG1 PRO 66 178.074 -2.219 15.249 494 1HD PRO 66 HD2 PRO 66 179.988 -4.467 14.808 495 2HD PRO 66 HD1 PRO 66 178.260 -4.513 15.215 496 H GLU 67 HN GLU 67 179.757 -1.302 10.641 497 HA GLU 67 HA GLU 67 181.220 -1.380 8.891 498 1HB GLU 67 HB2 GLU 67 183.532 -1.587 9.528 499 2HB GLU 67 HB1 GLU 67 182.664 -0.757 10.811 500 1HG GLU 67 HG2 GLU 67 182.742 -2.624 12.224 501 2HG GLU 67 HG1 GLU 67 183.186 -3.707 10.905 502 H GLU 68 HN GLU 68 179.683 -3.921 9.481 503 HA GLU 68 HA GLU 68 181.321 -5.673 7.803 504 1HB GLU 68 HB2 GLU 68 179.793 -6.522 10.264 505 2HB GLU 68 HB1 GLU 68 180.624 -7.613 9.153 506 1HG GLU 68 HG2 GLU 68 182.705 -6.993 9.886 507 2HG GLU 68 HG1 GLU 68 182.151 -5.404 10.430 508 H TYR 69 HN TYR 69 178.715 -3.908 7.738 509 HA TYR 69 HA TYR 69 177.259 -5.789 6.057 510 1HB TYR 69 HB2 TYR 69 176.167 -4.515 8.542 511 2HB TYR 69 HB1 TYR 69 175.091 -4.833 7.175 512 HD1 TYR 69 HD1 TYR 69 177.333 -6.417 9.654 513 HD2 TYR 69 HD2 TYR 69 174.343 -7.032 6.692 514 HE1 TYR 69 HE1 TYR 69 177.086 -8.748 10.397 515 HE2 TYR 69 HE2 TYR 69 174.086 -9.363 7.427 516 HH TYR 69 HH TYR 69 176.287 -10.932 9.372 517 H ALA 70 HN ALA 70 176.016 -4.816 4.452 518 HA ALA 70 HA ALA 70 176.763 -2.062 3.891 519 1HB ALA 70 HB1 ALA 70 175.270 -2.801 1.759 520 2HB ALA 70 HB2 ALA 70 175.860 -4.369 2.310 521 3HB ALA 70 HB3 ALA 70 177.004 -3.090 1.905 522 H GLU 71 HN GLU 71 175.533 -0.497 4.664 523 HA GLU 71 HA GLU 71 172.685 -0.968 5.108 524 1HB GLU 71 HB2 GLU 71 174.384 0.118 6.787 525 2HB GLU 71 HB1 GLU 71 174.121 1.567 5.836 526 1HG GLU 71 HG2 GLU 71 172.266 0.135 7.667 527 2HG GLU 71 HG1 GLU 71 172.595 1.857 7.505 528 H VAL 72 HN VAL 72 171.250 -0.353 3.639 529 HA VAL 72 HA VAL 72 171.951 1.889 1.862 530 HB VAL 72 HB VAL 72 170.782 -0.768 1.242 531 1HG1 VAL 72 HG11 VAL 72 168.873 0.351 0.543 532 2HG1 VAL 72 HG12 VAL 72 169.856 0.323 -0.921 533 3HG1 VAL 72 HG13 VAL 72 169.771 1.789 0.055 534 1HG2 VAL 72 HG21 VAL 72 171.982 -0.208 -0.938 535 2HG2 VAL 72 HG22 VAL 72 172.978 -0.419 0.502 536 3HG2 VAL 72 HG23 VAL 72 172.611 1.203 -0.088 537 H TRP 73 HN TRP 73 170.560 3.512 1.665 538 HA TRP 73 HA TRP 73 167.917 3.265 2.959 539 1HB TRP 73 HB2 TRP 73 170.014 5.389 3.171 540 2HB TRP 73 HB1 TRP 73 168.326 5.888 3.204 541 HD1 TRP 73 HD1 TRP 73 169.134 2.576 4.817 542 HE1 TRP 73 HE1 TRP 73 168.925 2.791 7.369 543 HE3 TRP 73 HE3 TRP 73 168.649 7.650 5.162 544 HZ2 TRP 73 HZ2 TRP 73 168.597 4.832 9.273 545 HZ3 TRP 73 HZ3 TRP 73 168.392 8.658 7.393 546 HH2 TRP 73 HH2 TRP 73 168.367 7.277 9.407 547 H VAL 74 HN VAL 74 166.327 3.428 1.435 548 HA VAL 74 HA VAL 74 166.877 5.103 -0.921 549 HB VAL 74 HB VAL 74 165.155 2.637 -0.647 550 1HG1 VAL 74 HG11 VAL 74 163.836 3.482 -2.226 551 2HG1 VAL 74 HG12 VAL 74 165.208 3.363 -3.329 552 3HG1 VAL 74 HG13 VAL 74 164.898 4.872 -2.466 553 1HG2 VAL 74 HG21 VAL 74 166.805 2.318 -2.814 554 2HG2 VAL 74 HG22 VAL 74 167.092 1.665 -1.201 555 3HG2 VAL 74 HG23 VAL 74 167.828 3.195 -1.677 556 H GLY 75 HN GLY 75 165.918 7.000 -0.611 557 1HA GLY 75 HA2 GLY 75 163.100 6.970 0.275 558 2HA GLY 75 HA1 GLY 75 164.239 8.130 0.928 559 H LEU 76 HN LEU 76 163.537 10.014 0.253 560 HA LEU 76 HA LEU 76 163.419 10.514 -2.638 561 1HB LEU 76 HB2 LEU 76 161.107 10.512 -0.922 562 2HB LEU 76 HB1 LEU 76 161.420 12.155 -1.435 563 HG LEU 76 HG LEU 76 161.175 11.568 -3.735 564 1HD1 LEU 76 HD11 LEU 76 160.372 8.997 -3.988 565 2HD1 LEU 76 HD12 LEU 76 161.605 8.845 -2.739 566 3HD1 LEU 76 HD13 LEU 76 162.013 9.564 -4.297 567 1HD2 LEU 76 HD21 LEU 76 158.963 11.614 -3.590 568 2HD2 LEU 76 HD22 LEU 76 159.131 11.330 -1.858 569 3HD2 LEU 76 HD23 LEU 76 158.905 9.968 -2.957 570 H VAL 77 HN VAL 77 164.623 12.249 -3.142 571 HA VAL 77 HA VAL 77 165.271 14.135 -0.970 572 HB VAL 77 HB VAL 77 167.387 14.587 -2.097 573 1HG1 VAL 77 HG11 VAL 77 166.785 11.703 -1.493 574 2HG1 VAL 77 HG12 VAL 77 167.509 12.913 -0.434 575 3HG1 VAL 77 HG13 VAL 77 168.415 12.294 -1.815 576 1HG2 VAL 77 HG21 VAL 77 167.992 12.816 -3.927 577 2HG2 VAL 77 HG22 VAL 77 167.111 14.281 -4.361 578 3HG2 VAL 77 HG23 VAL 77 166.244 12.759 -4.160 579 H ASN 78 HN ASN 78 166.154 16.283 -1.962 580 HA ASN 78 HA ASN 78 164.095 17.239 -3.825 581 1HB ASN 78 HB2 ASN 78 165.876 18.936 -2.072 582 2HB ASN 78 HB1 ASN 78 164.390 19.416 -2.887 583 1HD2 ASN 78 HD21 ASN 78 165.770 18.136 -0.072 584 2HD2 ASN 78 HD22 ASN 78 164.306 17.798 0.782 585 H GLU 79 HN GLU 79 165.334 19.618 -4.609 586 HA GLU 79 HA GLU 79 167.079 18.621 -6.666 587 1HB GLU 79 HB2 GLU 79 167.114 21.041 -7.382 588 2HB GLU 79 HB1 GLU 79 165.526 20.288 -7.336 589 1HG GLU 79 HG2 GLU 79 164.774 21.696 -5.783 590 2HG GLU 79 HG1 GLU 79 166.257 21.590 -4.835 591 H GLN 80 HN GLN 80 167.650 19.477 -3.524 592 HA GLN 80 HA GLN 80 170.251 20.705 -4.068 593 1HB GLN 80 HB2 GLN 80 170.303 21.018 -1.567 594 2HB GLN 80 HB1 GLN 80 169.020 21.884 -2.408 595 1HG GLN 80 HG2 GLN 80 167.370 20.410 -1.640 596 2HG GLN 80 HG1 GLN 80 168.558 19.203 -1.148 597 1HE2 GLN 80 HE21 GLN 80 170.129 20.004 0.549 598 2HE2 GLN 80 HE22 GLN 80 169.458 20.928 1.845 599 H ASP 81 HN ASP 81 168.996 17.652 -3.669 600 HA ASP 81 HA ASP 81 169.932 15.610 -3.326 601 1HB ASP 81 HB2 ASP 81 172.270 17.332 -3.902 602 2HB ASP 81 HB1 ASP 81 172.623 15.813 -3.083 603 H GLU 82 HN GLU 82 169.107 15.170 -1.331 604 HA GLU 82 HA GLU 82 170.957 15.483 0.914 605 1HB GLU 82 HB2 GLU 82 168.904 17.208 0.698 606 2HB GLU 82 HB1 GLU 82 168.084 15.896 1.533 607 1HG GLU 82 HG2 GLU 82 170.483 16.219 2.902 608 2HG GLU 82 HG1 GLU 82 169.937 17.857 2.546 609 H MET 83 HN MET 83 168.767 14.487 2.725 610 HA MET 83 HA MET 83 167.770 12.030 1.855 611 1HB MET 83 HB2 MET 83 170.386 11.708 1.884 612 2HB MET 83 HB1 MET 83 170.132 11.509 3.613 613 1HG MET 83 HG2 MET 83 170.096 9.346 2.728 614 2HG MET 83 HG1 MET 83 168.406 9.756 3.015 615 1HE MET 83 HE1 MET 83 166.821 8.740 -0.066 616 2HE MET 83 HE2 MET 83 166.778 9.131 1.653 617 3HE MET 83 HE3 MET 83 167.597 7.670 1.101 618 H ASP 84 HN ASP 84 166.449 13.761 3.224 619 HA ASP 84 HA ASP 84 166.593 13.011 6.063 620 1HB ASP 84 HB2 ASP 84 165.210 15.017 6.476 621 2HB ASP 84 HB1 ASP 84 166.722 15.410 5.662 622 H ASP 85 HN ASP 85 165.023 12.053 3.356 623 HA ASP 85 HA ASP 85 162.679 11.202 4.906 624 1HB ASP 85 HB2 ASP 85 162.704 12.917 2.571 625 2HB ASP 85 HB1 ASP 85 161.792 11.435 2.253 626 H VAL 86 HN VAL 86 163.720 9.189 5.173 627 HA VAL 86 HA VAL 86 164.338 7.634 2.791 628 HB VAL 86 HB VAL 86 165.956 7.280 4.445 629 1HG1 VAL 86 HG11 VAL 86 163.683 7.061 6.398 630 2HG1 VAL 86 HG12 VAL 86 164.974 8.261 6.353 631 3HG1 VAL 86 HG13 VAL 86 165.339 6.594 6.789 632 1HG2 VAL 86 HG21 VAL 86 164.439 4.906 5.273 633 2HG2 VAL 86 HG22 VAL 86 166.007 5.035 4.476 634 3HG2 VAL 86 HG23 VAL 86 164.524 5.166 3.530 635 H PHE 87 HN PHE 87 163.146 5.999 2.001 636 HA PHE 87 HA PHE 87 160.462 5.654 3.079 637 1HB PHE 87 HB2 PHE 87 161.796 5.149 0.471 638 2HB PHE 87 HB1 PHE 87 160.441 4.110 0.890 639 HD1 PHE 87 HD1 PHE 87 161.401 7.693 0.615 640 HD2 PHE 87 HD2 PHE 87 158.287 4.804 0.477 641 HE1 PHE 87 HE1 PHE 87 159.839 9.421 -0.169 642 HE2 PHE 87 HE2 PHE 87 156.719 6.527 -0.299 643 HZ PHE 87 HZ PHE 87 157.496 8.843 -0.632 644 H ALA 88 HN ALA 88 163.213 3.626 2.108 645 HA ALA 88 HA ALA 88 162.516 1.688 4.167 646 1HB ALA 88 HB1 ALA 88 161.529 1.223 1.711 647 2HB ALA 88 HB2 ALA 88 162.022 -0.062 2.814 648 3HB ALA 88 HB3 ALA 88 163.117 0.477 1.540 649 H LYS 89 HN LYS 89 164.347 0.644 5.019 650 HA LYS 89 HA LYS 89 166.896 1.368 3.747 651 1HB LYS 89 HB2 LYS 89 166.613 0.545 6.627 652 2HB LYS 89 HB1 LYS 89 167.856 1.529 5.879 653 1HG LYS 89 HG2 LYS 89 166.646 3.449 6.059 654 2HG LYS 89 HG1 LYS 89 165.101 2.626 5.854 655 1HD LYS 89 HD2 LYS 89 166.059 1.639 8.249 656 2HD LYS 89 HD1 LYS 89 166.532 3.330 8.279 657 1HE LYS 89 HE2 LYS 89 164.364 3.108 9.287 658 2HE LYS 89 HE1 LYS 89 164.200 3.954 7.751 659 1HZ LYS 89 HZ1 LYS 89 162.471 2.386 7.841 660 2HZ LYS 89 HZ2 LYS 89 163.497 1.146 8.358 661 3HZ LYS 89 HZ3 LYS 89 163.611 1.732 6.776 662 H PHE 90 HN PHE 90 168.249 -0.227 3.136 663 HA PHE 90 HA PHE 90 167.441 -2.992 3.745 664 1HB PHE 90 HB2 PHE 90 169.138 -2.023 1.439 665 2HB PHE 90 HB1 PHE 90 168.494 -3.644 1.665 666 HD1 PHE 90 HD1 PHE 90 166.703 -4.196 0.363 667 HD2 PHE 90 HD2 PHE 90 167.184 -0.138 1.551 668 HE1 PHE 90 HE1 PHE 90 164.697 -3.584 -0.924 669 HE2 PHE 90 HE2 PHE 90 165.178 0.480 0.275 670 HZ PHE 90 HZ PHE 90 163.930 -1.243 -0.965 671 H LEU 91 HN LEU 91 168.933 -4.535 4.353 672 HA LEU 91 HA LEU 91 171.653 -3.589 4.989 673 1HB LEU 91 HB2 LEU 91 169.857 -5.323 6.687 674 2HB LEU 91 HB1 LEU 91 171.573 -5.116 6.979 675 HG LEU 91 HG LEU 91 169.519 -2.905 7.069 676 1HD1 LEU 91 HD11 LEU 91 170.816 -3.361 9.556 677 2HD1 LEU 91 HD12 LEU 91 170.177 -4.900 8.978 678 3HD1 LEU 91 HD13 LEU 91 169.103 -3.514 9.161 679 1HD2 LEU 91 HD21 LEU 91 171.237 -1.505 6.968 680 2HD2 LEU 91 HD22 LEU 91 172.361 -2.856 6.817 681 3HD2 LEU 91 HD23 LEU 91 171.916 -2.252 8.414 682 H ILE 92 HN ILE 92 172.879 -4.647 3.503 683 HA ILE 92 HA ILE 92 172.317 -7.507 3.068 684 HB ILE 92 HB ILE 92 174.004 -7.034 1.054 685 1HG1 ILE 92 HG12 ILE 92 173.897 -4.509 1.996 686 2HG1 ILE 92 HG11 ILE 92 174.184 -4.904 0.307 687 1HG2 ILE 92 HG21 ILE 92 171.916 -7.991 0.629 688 2HG2 ILE 92 HG22 ILE 92 171.938 -6.518 -0.340 689 3HG2 ILE 92 HG23 ILE 92 171.046 -6.559 1.181 690 1HD1 ILE 92 HD11 ILE 92 172.108 -4.231 -0.346 691 2HD1 ILE 92 HD12 ILE 92 172.403 -3.123 0.995 692 3HD1 ILE 92 HD13 ILE 92 171.386 -4.545 1.232 693 H SER 93 HN SER 93 173.708 -8.981 3.732 694 HA SER 93 HA SER 93 175.979 -8.337 5.269 695 1HB SER 93 HB2 SER 93 175.849 -11.048 4.080 696 2HB SER 93 HB1 SER 93 176.062 -10.562 5.761 697 HG SER 93 HG SER 93 173.736 -9.892 5.548 698 H HIS 94 HN HIS 94 177.567 -7.227 4.283 699 HA HIS 94 HA HIS 94 178.500 -7.130 1.780 700 1HB HIS 94 HB2 HIS 94 179.959 -7.056 4.390 701 2HB HIS 94 HB1 HIS 94 180.880 -6.988 2.887 702 HD1 HIS 94 HD1 HIS 94 179.950 -5.004 1.182 703 HD2 HIS 94 HD2 HIS 94 179.166 -4.598 5.244 704 HE1 HIS 94 HE1 HIS 94 179.440 -2.566 1.531 705 HE2 HIS 94 HE2 HIS 94 178.896 -2.361 3.981 706 H ARG 95 HN ARG 95 179.809 -9.508 4.107 707 HA ARG 95 HA ARG 95 181.555 -10.872 2.528 708 1HB ARG 95 HB2 ARG 95 180.691 -11.270 5.007 709 2HB ARG 95 HB1 ARG 95 179.749 -12.530 4.221 710 1HG ARG 95 HG2 ARG 95 181.640 -13.712 3.567 711 2HG ARG 95 HG1 ARG 95 182.700 -12.317 3.777 712 1HD ARG 95 HD2 ARG 95 183.218 -13.546 5.646 713 2HD ARG 95 HD1 ARG 95 181.947 -12.498 6.275 714 HE ARG 95 HE ARG 95 180.564 -14.657 5.477 715 1HH1 ARG 95 HH11 ARG 95 183.431 -14.319 7.442 716 2HH1 ARG 95 HH12 ARG 95 183.107 -15.738 8.378 717 1HH2 ARG 95 HH21 ARG 95 180.137 -16.522 6.711 718 2HH2 ARG 95 HH22 ARG 95 181.237 -16.989 7.964 719 H GLU 96 HN GLU 96 181.406 -13.003 1.519 720 HA GLU 96 HA GLU 96 179.252 -13.010 -0.411 721 1HB GLU 96 HB2 GLU 96 180.602 -14.429 -1.704 722 2HB GLU 96 HB1 GLU 96 181.733 -13.336 -0.916 723 1HG GLU 96 HG2 GLU 96 182.196 -15.074 0.767 724 2HG GLU 96 HG1 GLU 96 181.127 -16.171 -0.106 725 H GLU 97 HN GLU 97 180.614 -15.284 1.973 726 HA GLU 97 HA GLU 97 178.668 -17.301 1.539 727 1HB GLU 97 HB2 GLU 97 180.912 -16.857 3.314 728 2HB GLU 97 HB1 GLU 97 179.550 -17.529 4.200 729 1HG GLU 97 HG2 GLU 97 179.436 -19.396 2.661 730 2HG GLU 97 HG1 GLU 97 180.748 -18.710 1.703 731 H ASP 98 HN ASP 98 176.675 -17.578 2.347 732 HA ASP 98 HA ASP 98 174.702 -17.098 3.379 733 1HB ASP 98 HB2 ASP 98 176.739 -16.287 5.392 734 2HB ASP 98 HB1 ASP 98 175.100 -15.693 5.636 735 H ARG 99 HN ARG 99 173.381 -15.672 2.446 736 HA ARG 99 HA ARG 99 174.241 -12.860 2.325 737 1HB ARG 99 HB2 ARG 99 174.085 -13.855 0.110 738 2HB ARG 99 HB1 ARG 99 172.442 -14.401 0.443 739 1HG ARG 99 HG2 ARG 99 172.380 -12.448 -0.959 740 2HG ARG 99 HG1 ARG 99 171.731 -12.049 0.632 741 1HD ARG 99 HD2 ARG 99 173.106 -10.266 0.414 742 2HD ARG 99 HD1 ARG 99 174.300 -11.407 1.036 743 HE ARG 99 HE ARG 99 175.325 -11.413 -1.016 744 1HH1 ARG 99 HH11 ARG 99 172.190 -9.905 -1.309 745 2HH1 ARG 99 HH12 ARG 99 172.475 -9.339 -2.920 746 1HH2 ARG 99 HH21 ARG 99 175.700 -10.668 -3.134 747 2HH2 ARG 99 HH22 ARG 99 174.467 -9.772 -3.957 748 H GLU 100 HN GLU 100 173.331 -12.151 4.215 749 HA GLU 100 HA GLU 100 170.461 -12.571 4.609 750 1HB GLU 100 HB2 GLU 100 172.482 -11.296 6.461 751 2HB GLU 100 HB1 GLU 100 170.814 -11.686 6.855 752 1HG GLU 100 HG2 GLU 100 172.751 -13.799 5.988 753 2HG GLU 100 HG1 GLU 100 172.650 -13.265 7.665 754 H PHE 101 HN PHE 101 169.327 -11.163 3.410 755 HA PHE 101 HA PHE 101 170.023 -8.318 3.661 756 1HB PHE 101 HB2 PHE 101 169.444 -7.894 1.437 757 2HB PHE 101 HB1 PHE 101 170.296 -9.429 1.346 758 HD1 PHE 101 HD1 PHE 101 167.095 -7.736 0.980 759 HD2 PHE 101 HD2 PHE 101 169.092 -11.493 0.870 760 HE1 PHE 101 HE1 PHE 101 165.160 -8.726 -0.171 761 HE2 PHE 101 HE2 PHE 101 167.160 -12.490 -0.283 762 HZ PHE 101 HZ PHE 101 165.191 -11.106 -0.806 763 H HIS 102 HN HIS 102 168.634 -7.381 5.013 764 HA HIS 102 HA HIS 102 165.781 -8.028 4.714 765 1HB HIS 102 HB2 HIS 102 165.693 -7.480 7.257 766 2HB HIS 102 HB1 HIS 102 166.235 -9.072 6.740 767 HD1 HIS 102 HD1 HIS 102 167.075 -6.646 9.114 768 HD2 HIS 102 HD2 HIS 102 169.313 -8.889 6.427 769 HE1 HIS 102 HE1 HIS 102 169.423 -6.633 10.017 770 HE2 HIS 102 HE2 HIS 102 170.737 -8.077 8.426 771 H VAL 103 HN VAL 103 164.704 -6.320 4.047 772 HA VAL 103 HA VAL 103 165.750 -3.644 4.581 773 HB VAL 103 HB VAL 103 165.238 -4.157 2.258 774 1HG1 VAL 103 HG11 VAL 103 162.837 -4.471 1.597 775 2HG1 VAL 103 HG12 VAL 103 162.476 -4.734 3.303 776 3HG1 VAL 103 HG13 VAL 103 163.565 -5.831 2.453 777 1HG2 VAL 103 HG21 VAL 103 164.959 -1.859 2.918 778 2HG2 VAL 103 HG22 VAL 103 163.328 -2.184 3.503 779 3HG2 VAL 103 HG23 VAL 103 163.681 -2.283 1.780 780 H ILE 104 HN ILE 104 164.445 -1.970 5.421 781 HA ILE 104 HA ILE 104 162.136 -2.928 6.983 782 HB ILE 104 HB ILE 104 162.704 -0.627 8.229 783 1HG1 ILE 104 HG12 ILE 104 165.270 -1.519 6.937 784 2HG1 ILE 104 HG11 ILE 104 164.632 0.110 7.104 785 1HG2 ILE 104 HG21 ILE 104 164.243 -3.129 8.860 786 2HG2 ILE 104 HG22 ILE 104 162.501 -2.989 9.099 787 3HG2 ILE 104 HG23 ILE 104 163.600 -1.927 9.979 788 1HD1 ILE 104 HD11 ILE 104 166.541 -0.173 8.487 789 2HD1 ILE 104 HD12 ILE 104 165.837 -1.599 9.246 790 3HD1 ILE 104 HD13 ILE 104 165.113 -0.012 9.509 791 H TRP 105 HN TRP 105 160.193 -2.044 6.622 792 HA TRP 105 HA TRP 105 160.072 0.308 4.851 793 1HB TRP 105 HB2 TRP 105 157.943 -1.800 5.245 794 2HB TRP 105 HB1 TRP 105 157.912 -0.486 4.078 795 HD1 TRP 105 HD1 TRP 105 159.240 -3.981 4.608 796 HE1 TRP 105 HE1 TRP 105 160.400 -4.794 2.461 797 HE3 TRP 105 HE3 TRP 105 159.333 0.427 2.002 798 HZ2 TRP 105 HZ2 TRP 105 161.239 -3.716 -0.006 799 HZ3 TRP 105 HZ3 TRP 105 160.322 0.443 -0.239 800 HH2 TRP 105 HH2 TRP 105 161.261 -1.586 -1.225 801 H LYS 106 HN LYS 106 159.134 2.107 5.548 802 HA LYS 106 HA LYS 106 158.415 3.601 7.155 803 1HB LYS 106 HB2 LYS 106 156.414 2.573 5.795 804 2HB LYS 106 HB1 LYS 106 155.969 1.896 7.355 805 1HG LYS 106 HG2 LYS 106 154.991 3.806 7.882 806 2HG LYS 106 HG1 LYS 106 156.556 4.615 7.794 807 1HD LYS 106 HD2 LYS 106 155.803 5.779 6.054 808 2HD LYS 106 HD1 LYS 106 155.698 4.275 5.137 809 1HE LYS 106 HE2 LYS 106 153.517 4.785 4.980 810 2HE LYS 106 HE1 LYS 106 153.429 4.147 6.621 811 1HZ LYS 106 HZ1 LYS 106 154.126 6.670 7.102 812 2HZ LYS 106 HZ2 LYS 106 152.520 6.145 7.032 813 3HZ LYS 106 HZ3 LYS 106 153.226 6.885 5.686 814 H LYS 107 HN LYS 107 159.773 3.256 8.936 815 HA LYS 107 HA LYS 107 158.965 1.311 10.943 816 1HB LYS 107 HB2 LYS 107 161.017 1.934 12.099 817 2HB LYS 107 HB1 LYS 107 161.352 1.576 10.410 818 1HG LYS 107 HG2 LYS 107 162.541 3.478 10.535 819 2HG LYS 107 HG1 LYS 107 160.971 4.228 10.244 820 1HD LYS 107 HD2 LYS 107 160.663 4.423 12.698 821 2HD LYS 107 HD1 LYS 107 162.294 3.787 12.920 822 1HE LYS 107 HE2 LYS 107 163.203 5.781 12.530 823 2HE LYS 107 HE1 LYS 107 162.282 5.977 11.040 824 1HZ LYS 107 HZ1 LYS 107 160.733 7.223 12.060 825 2HZ LYS 107 HZ2 LYS 107 161.961 7.516 13.185 826 3HZ LYS 107 HZ3 LYS 107 160.788 6.339 13.502 Start of MODEL 2 1 H MET 1 HT1 MET 1 188.466 -22.231 6.634 2 HA MET 1 HA MET 1 188.795 -20.349 8.177 3 1HB MET 1 HB2 MET 1 190.807 -21.246 9.251 4 2HB MET 1 HB1 MET 1 191.676 -21.157 7.724 5 1HG MET 1 HG2 MET 1 190.805 -18.595 8.008 6 2HG MET 1 HG1 MET 1 191.084 -19.069 9.683 7 1HE MET 1 HE1 MET 1 193.478 -18.612 10.746 8 2HE MET 1 HE2 MET 1 194.789 -19.549 10.030 9 3HE MET 1 HE3 MET 1 193.255 -20.329 10.413 10 H THR 2 HN THR 2 187.701 -19.670 6.264 11 HA THR 2 HA THR 2 189.501 -18.336 4.389 12 HB THR 2 HB THR 2 187.430 -20.396 3.730 13 HG1 THR 2 HG1 THR 2 189.053 -21.236 2.712 14 1HG2 THR 2 HG21 THR 2 186.388 -18.918 2.332 15 2HG2 THR 2 HG22 THR 2 187.664 -19.517 1.276 16 3HG2 THR 2 HG23 THR 2 187.839 -17.951 2.065 17 H THR 3 HN THR 3 188.418 -17.009 6.404 18 HA THR 3 HA THR 3 185.882 -15.833 5.599 19 HB THR 3 HB THR 3 186.129 -16.286 7.946 20 HG1 THR 3 HG1 THR 3 185.679 -14.258 8.744 21 1HG2 THR 3 HG21 THR 3 187.845 -14.805 9.213 22 2HG2 THR 3 HG22 THR 3 188.716 -14.836 7.680 23 3HG2 THR 3 HG23 THR 3 188.349 -16.345 8.516 24 H GLU 4 HN GLU 4 187.202 -15.139 3.579 25 HA GLU 4 HA GLU 4 188.856 -12.802 3.938 26 1HB GLU 4 HB2 GLU 4 188.768 -12.740 1.409 27 2HB GLU 4 HB1 GLU 4 189.460 -14.195 2.113 28 1HG GLU 4 HG2 GLU 4 187.690 -15.509 1.487 29 2HG GLU 4 HG1 GLU 4 186.561 -14.156 1.444 30 H ILE 5 HN ILE 5 188.108 -10.807 4.187 31 HA ILE 5 HA ILE 5 185.310 -10.244 3.589 32 HB ILE 5 HB ILE 5 187.276 -8.366 4.882 33 1HG1 ILE 5 HG12 ILE 5 187.210 -10.507 6.125 34 2HG1 ILE 5 HG11 ILE 5 186.513 -9.179 7.048 35 1HG2 ILE 5 HG21 ILE 5 184.281 -8.532 5.141 36 2HG2 ILE 5 HG22 ILE 5 185.117 -7.477 4.002 37 3HG2 ILE 5 HG23 ILE 5 185.342 -7.256 5.737 38 1HD1 ILE 5 HD11 ILE 5 184.544 -10.194 7.192 39 2HD1 ILE 5 HD12 ILE 5 185.373 -11.641 6.618 40 3HD1 ILE 5 HD13 ILE 5 184.531 -10.595 5.474 41 H LYS 6 HN LYS 6 184.639 -9.060 1.931 42 HA LYS 6 HA LYS 6 186.606 -7.444 0.452 43 1HB LYS 6 HB2 LYS 6 185.409 -9.761 -0.496 44 2HB LYS 6 HB1 LYS 6 184.431 -8.480 -1.197 45 1HG LYS 6 HG2 LYS 6 187.336 -8.083 -1.389 46 2HG LYS 6 HG1 LYS 6 186.693 -9.451 -2.300 47 1HD LYS 6 HD2 LYS 6 184.903 -7.702 -3.076 48 2HD LYS 6 HD1 LYS 6 186.140 -6.533 -2.608 49 1HE LYS 6 HE2 LYS 6 187.687 -8.121 -4.037 50 2HE LYS 6 HE1 LYS 6 186.155 -8.552 -4.797 51 1HZ LYS 6 HZ1 LYS 6 186.709 -5.709 -4.465 52 2HZ LYS 6 HZ2 LYS 6 185.945 -6.521 -5.736 53 3HZ LYS 6 HZ3 LYS 6 187.632 -6.531 -5.620 54 H LYS 7 HN LYS 7 185.923 -5.452 -0.236 55 HA LYS 7 HA LYS 7 183.426 -4.509 0.917 56 1HB LYS 7 HB2 LYS 7 185.923 -3.249 -0.082 57 2HB LYS 7 HB1 LYS 7 184.450 -2.295 -0.192 58 1HG LYS 7 HG2 LYS 7 184.740 -3.557 2.403 59 2HG LYS 7 HG1 LYS 7 186.112 -2.515 2.002 60 1HD LYS 7 HD2 LYS 7 184.014 -0.966 1.225 61 2HD LYS 7 HD1 LYS 7 183.318 -1.824 2.601 62 1HE LYS 7 HE2 LYS 7 185.728 -1.141 3.612 63 2HE LYS 7 HE1 LYS 7 185.453 0.206 2.508 64 1HZ LYS 7 HZ1 LYS 7 184.559 0.790 4.612 65 2HZ LYS 7 HZ2 LYS 7 183.709 -0.667 4.744 66 3HZ LYS 7 HZ3 LYS 7 183.245 0.480 3.591 67 H LEU 8 HN LEU 8 182.302 -2.739 -0.467 68 HA LEU 8 HA LEU 8 181.954 -3.741 -3.214 69 1HB LEU 8 HB2 LEU 8 180.033 -3.570 -1.055 70 2HB LEU 8 HB1 LEU 8 179.512 -2.618 -2.432 71 HG LEU 8 HG LEU 8 180.342 -5.501 -2.669 72 1HD1 LEU 8 HD11 LEU 8 178.264 -4.815 -1.153 73 2HD1 LEU 8 HD12 LEU 8 178.251 -6.237 -2.196 74 3HD1 LEU 8 HD13 LEU 8 177.482 -4.743 -2.732 75 1HD2 LEU 8 HD21 LEU 8 180.410 -4.487 -4.780 76 2HD2 LEU 8 HD22 LEU 8 178.971 -3.517 -4.459 77 3HD2 LEU 8 HD23 LEU 8 178.825 -5.257 -4.714 78 H ASP 9 HN ASP 9 181.344 -2.201 -4.785 79 HA ASP 9 HA ASP 9 182.379 0.438 -4.266 80 1HB ASP 9 HB2 ASP 9 181.708 -1.173 -6.621 81 2HB ASP 9 HB1 ASP 9 181.302 0.531 -6.801 82 HA PRO 10 HA PRO 10 178.715 2.638 -3.198 83 1HB PRO 10 HB2 PRO 10 179.568 4.606 -5.272 84 2HB PRO 10 HB1 PRO 10 179.138 4.870 -3.573 85 1HG PRO 10 HG2 PRO 10 181.683 4.915 -4.348 86 2HG PRO 10 HG1 PRO 10 181.215 4.177 -2.805 87 1HD PRO 10 HD2 PRO 10 181.982 2.872 -5.376 88 2HD PRO 10 HD1 PRO 10 182.305 2.359 -3.707 89 H ASP 11 HN ASP 11 179.402 2.959 -6.691 90 HA ASP 11 HA ASP 11 176.675 3.126 -7.433 91 1HB ASP 11 HB2 ASP 11 179.249 3.164 -8.754 92 2HB ASP 11 HB1 ASP 11 178.100 2.188 -9.664 93 H THR 12 HN THR 12 178.874 0.461 -6.964 94 HA THR 12 HA THR 12 177.379 -1.503 -8.356 95 HB THR 12 HB THR 12 179.335 -1.852 -6.075 96 HG1 THR 12 HG1 THR 12 179.666 -1.686 -8.875 97 1HG2 THR 12 HG21 THR 12 178.404 -3.818 -8.153 98 2HG2 THR 12 HG22 THR 12 178.089 -3.889 -6.419 99 3HG2 THR 12 HG23 THR 12 179.735 -4.073 -7.024 100 H ALA 13 HN ALA 13 177.612 -0.727 -4.876 101 HA ALA 13 HA ALA 13 175.661 -2.603 -4.063 102 1HB ALA 13 HB1 ALA 13 176.080 -1.872 -1.969 103 2HB ALA 13 HB2 ALA 13 175.983 -0.171 -2.428 104 3HB ALA 13 HB3 ALA 13 177.456 -1.089 -2.746 105 H ILE 14 HN ILE 14 175.472 0.930 -4.517 106 HA ILE 14 HA ILE 14 172.837 1.380 -3.928 107 HB ILE 14 HB ILE 14 174.552 2.625 -6.074 108 1HG1 ILE 14 HG12 ILE 14 173.614 3.766 -3.441 109 2HG1 ILE 14 HG11 ILE 14 175.130 2.889 -3.622 110 1HG2 ILE 14 HG21 ILE 14 171.802 3.453 -5.164 111 2HG2 ILE 14 HG22 ILE 14 172.288 2.951 -6.784 112 3HG2 ILE 14 HG23 ILE 14 172.887 4.469 -6.114 113 1HD1 ILE 14 HD11 ILE 14 174.597 5.189 -5.425 114 2HD1 ILE 14 HD12 ILE 14 176.124 4.577 -4.789 115 3HD1 ILE 14 HD13 ILE 14 175.043 5.503 -3.748 116 H ASP 15 HN ASP 15 174.189 -0.081 -6.803 117 HA ASP 15 HA ASP 15 171.793 -0.049 -8.344 118 1HB ASP 15 HB2 ASP 15 174.313 -0.426 -9.053 119 2HB ASP 15 HB1 ASP 15 173.908 -2.118 -8.781 120 H ILE 16 HN ILE 16 173.285 -2.324 -6.111 121 HA ILE 16 HA ILE 16 171.633 -4.538 -6.616 122 HB ILE 16 HB ILE 16 172.853 -3.812 -3.952 123 1HG1 ILE 16 HG12 ILE 16 174.672 -3.756 -5.444 124 2HG1 ILE 16 HG11 ILE 16 174.708 -5.380 -4.764 125 1HG2 ILE 16 HG21 ILE 16 171.539 -6.204 -5.059 126 2HG2 ILE 16 HG22 ILE 16 171.639 -5.625 -3.396 127 3HG2 ILE 16 HG23 ILE 16 173.002 -6.483 -4.116 128 1HD1 ILE 16 HD11 ILE 16 175.141 -5.337 -7.181 129 2HD1 ILE 16 HD12 ILE 16 173.534 -4.657 -7.441 130 3HD1 ILE 16 HD13 ILE 16 173.707 -6.277 -6.765 131 H ALA 17 HN ALA 17 171.439 -2.284 -3.854 132 HA ALA 17 HA ALA 17 169.013 -3.114 -2.835 133 1HB ALA 17 HB1 ALA 17 170.135 -1.657 -1.454 134 2HB ALA 17 HB2 ALA 17 168.850 -0.623 -2.079 135 3HB ALA 17 HB3 ALA 17 170.476 -0.516 -2.755 136 H TYR 18 HN TYR 18 169.622 -0.757 -5.403 137 HA TYR 18 HA TYR 18 167.077 0.280 -5.722 138 1HB TYR 18 HB2 TYR 18 169.256 0.917 -6.923 139 2HB TYR 18 HB1 TYR 18 168.858 -0.364 -8.064 140 HD1 TYR 18 HD1 TYR 18 167.122 -0.077 -9.691 141 HD2 TYR 18 HD2 TYR 18 167.813 2.912 -6.743 142 HE1 TYR 18 HE1 TYR 18 165.689 1.481 -10.942 143 HE2 TYR 18 HE2 TYR 18 166.381 4.478 -7.986 144 HH TYR 18 HH TYR 18 165.672 4.408 -10.896 145 H ASP 19 HN ASP 19 168.475 -2.473 -7.520 146 HA ASP 19 HA ASP 19 166.093 -3.188 -8.821 147 1HB ASP 19 HB2 ASP 19 167.193 -5.292 -9.351 148 2HB ASP 19 HB1 ASP 19 168.338 -3.959 -9.526 149 H ILE 20 HN ILE 20 167.287 -3.887 -5.624 150 HA ILE 20 HA ILE 20 165.488 -6.052 -5.098 151 HB ILE 20 HB ILE 20 167.038 -4.303 -3.179 152 1HG1 ILE 20 HG12 ILE 20 167.623 -7.149 -4.002 153 2HG1 ILE 20 HG11 ILE 20 168.317 -5.759 -4.838 154 1HG2 ILE 20 HG21 ILE 20 166.608 -6.056 -1.519 155 2HG2 ILE 20 HG22 ILE 20 165.582 -6.899 -2.679 156 3HG2 ILE 20 HG23 ILE 20 165.112 -5.308 -2.078 157 1HD1 ILE 20 HD11 ILE 20 169.845 -6.716 -3.187 158 2HD1 ILE 20 HD12 ILE 20 168.669 -6.386 -1.915 159 3HD1 ILE 20 HD13 ILE 20 169.412 -5.052 -2.797 160 H PHE 21 HN PHE 21 165.284 -2.589 -4.963 161 HA PHE 21 HA PHE 21 163.052 -2.491 -3.175 162 1HB PHE 21 HB2 PHE 21 164.330 -0.517 -3.232 163 2HB PHE 21 HB1 PHE 21 164.399 -0.503 -4.990 164 HD1 PHE 21 HD1 PHE 21 163.440 1.464 -5.705 165 HD2 PHE 21 HD2 PHE 21 161.522 -0.780 -2.643 166 HE1 PHE 21 HE1 PHE 21 161.528 3.012 -5.776 167 HE2 PHE 21 HE2 PHE 21 159.604 0.761 -2.709 168 HZ PHE 21 HZ PHE 21 159.606 2.658 -4.279 169 H LEU 22 HN LEU 22 163.426 -2.069 -6.691 170 HA LEU 22 HA LEU 22 160.670 -1.815 -7.238 171 1HB LEU 22 HB2 LEU 22 163.036 -2.570 -8.936 172 2HB LEU 22 HB1 LEU 22 161.409 -2.474 -9.595 173 HG LEU 22 HG LEU 22 161.393 -0.201 -9.597 174 1HD1 LEU 22 HD11 LEU 22 161.546 0.008 -7.154 175 2HD1 LEU 22 HD12 LEU 22 162.493 1.240 -7.987 176 3HD1 LEU 22 HD13 LEU 22 163.299 -0.150 -7.261 177 1HD2 LEU 22 HD21 LEU 22 163.160 -0.329 -11.006 178 2HD2 LEU 22 HD22 LEU 22 164.178 -1.161 -9.831 179 3HD2 LEU 22 HD23 LEU 22 163.939 0.583 -9.712 180 H GLU 23 HN GLU 23 162.620 -4.583 -6.581 181 HA GLU 23 HA GLU 23 160.682 -6.390 -7.803 182 1HB GLU 23 HB2 GLU 23 162.682 -7.305 -8.334 183 2HB GLU 23 HB1 GLU 23 163.502 -6.563 -6.970 184 1HG GLU 23 HG2 GLU 23 162.971 -8.295 -5.538 185 2HG GLU 23 HG1 GLU 23 161.628 -8.846 -6.538 186 H MET 24 HN MET 24 162.125 -5.783 -4.595 187 HA MET 24 HA MET 24 160.383 -7.699 -3.342 188 1HB MET 24 HB2 MET 24 162.806 -6.566 -2.675 189 2HB MET 24 HB1 MET 24 161.692 -5.808 -1.545 190 1HG MET 24 HG2 MET 24 160.865 -8.163 -1.041 191 2HG MET 24 HG1 MET 24 162.305 -8.721 -1.901 192 1HE MET 24 HE1 MET 24 161.762 -7.590 2.285 193 2HE MET 24 HE2 MET 24 160.621 -7.438 0.948 194 3HE MET 24 HE3 MET 24 161.633 -6.068 1.405 195 H ALA 25 HN ALA 25 160.535 -4.156 -3.514 196 HA ALA 25 HA ALA 25 158.604 -3.502 -1.643 197 1HB ALA 25 HB1 ALA 25 158.327 -1.426 -2.781 198 2HB ALA 25 HB2 ALA 25 158.924 -2.111 -4.293 199 3HB ALA 25 HB3 ALA 25 160.019 -1.900 -2.928 200 H GLY 26 HN GLY 26 156.360 -3.084 -1.753 201 1HA GLY 26 HA2 GLY 26 154.243 -3.124 -2.841 202 2HA GLY 26 HA1 GLY 26 154.929 -4.168 -4.076 203 H GLU 27 HN GLU 27 155.103 -4.523 -0.560 204 HA GLU 27 HA GLU 27 153.066 -6.480 -0.364 205 1HB GLU 27 HB2 GLU 27 154.406 -8.483 -0.064 206 2HB GLU 27 HB1 GLU 27 154.686 -7.803 -1.662 207 1HG GLU 27 HG2 GLU 27 156.706 -6.637 -0.507 208 2HG GLU 27 HG1 GLU 27 156.503 -7.908 0.697 209 H ASN 28 HN ASN 28 155.929 -4.963 0.947 210 HA ASN 28 HA ASN 28 154.959 -5.583 3.657 211 1HB ASN 28 HB2 ASN 28 157.320 -6.379 2.832 212 2HB ASN 28 HB1 ASN 28 157.774 -4.697 3.142 213 1HD2 ASN 28 HD21 ASN 28 159.202 -5.579 4.743 214 2HD2 ASN 28 HD22 ASN 28 158.594 -5.989 6.307 215 H LEU 29 HN LEU 29 156.185 -3.088 1.501 216 HA LEU 29 HA LEU 29 156.216 -0.995 3.416 217 1HB LEU 29 HB2 LEU 29 157.480 -0.870 1.341 218 2HB LEU 29 HB1 LEU 29 155.998 -0.902 0.410 219 HG LEU 29 HG LEU 29 156.055 1.286 2.333 220 1HD1 LEU 29 HD11 LEU 29 158.313 0.962 0.419 221 2HD1 LEU 29 HD12 LEU 29 158.307 1.604 2.065 222 3HD1 LEU 29 HD13 LEU 29 157.662 2.568 0.739 223 1HD2 LEU 29 HD21 LEU 29 155.786 2.415 -0.091 224 2HD2 LEU 29 HD22 LEU 29 154.458 1.643 0.766 225 3HD2 LEU 29 HD23 LEU 29 155.328 0.760 -0.481 226 H ASP 30 HN ASP 30 154.666 0.335 4.110 227 HA ASP 30 HA ASP 30 151.992 -0.354 4.029 228 1HB ASP 30 HB2 ASP 30 153.571 1.825 5.086 229 2HB ASP 30 HB1 ASP 30 152.012 2.406 4.509 230 HA PRO 31 HA PRO 31 150.148 0.806 0.206 231 1HB PRO 31 HB2 PRO 31 148.145 2.209 1.928 232 2HB PRO 31 HB1 PRO 31 147.886 1.081 0.585 233 1HG PRO 31 HG2 PRO 31 147.612 0.265 3.100 234 2HG PRO 31 HG1 PRO 31 148.370 -0.781 1.885 235 1HD PRO 31 HD2 PRO 31 149.621 0.770 4.099 236 2HD PRO 31 HD1 PRO 31 150.103 -0.790 3.394 237 H ALA 32 HN ALA 32 149.850 3.439 2.619 238 HA ALA 32 HA ALA 32 149.723 5.568 0.858 239 1HB ALA 32 HB1 ALA 32 149.378 5.666 3.330 240 2HB ALA 32 HB2 ALA 32 150.359 6.980 2.680 241 3HB ALA 32 HB3 ALA 32 151.131 5.636 3.521 242 H ASP 33 HN ASP 33 152.633 4.260 2.429 243 HA ASP 33 HA ASP 33 154.511 5.910 1.234 244 1HB ASP 33 HB2 ASP 33 154.737 3.049 2.176 245 2HB ASP 33 HB1 ASP 33 156.123 3.988 1.628 246 H ILE 34 HN ILE 34 152.861 3.096 -0.051 247 HA ILE 34 HA ILE 34 154.542 2.641 -2.279 248 HB ILE 34 HB ILE 34 151.594 2.071 -1.921 249 1HG1 ILE 34 HG12 ILE 34 153.983 0.220 -1.816 250 2HG1 ILE 34 HG11 ILE 34 153.161 0.879 -0.399 251 1HG2 ILE 34 HG21 ILE 34 151.828 0.539 -3.833 252 2HG2 ILE 34 HG22 ILE 34 153.459 1.155 -4.102 253 3HG2 ILE 34 HG23 ILE 34 152.070 2.227 -4.282 254 1HD1 ILE 34 HD11 ILE 34 152.612 -1.512 -1.567 255 2HD1 ILE 34 HD12 ILE 34 151.387 -0.468 -2.287 256 3HD1 ILE 34 HD13 ILE 34 151.505 -0.609 -0.533 257 H LEU 35 HN LEU 35 151.582 4.550 -1.874 258 HA LEU 35 HA LEU 35 151.212 5.482 -4.437 259 1HB LEU 35 HB2 LEU 35 149.564 6.002 -2.840 260 2HB LEU 35 HB1 LEU 35 150.725 6.731 -1.750 261 HG LEU 35 HG LEU 35 150.947 8.424 -3.847 262 1HD1 LEU 35 HD11 LEU 35 149.105 7.058 -4.977 263 2HD1 LEU 35 HD12 LEU 35 148.917 8.811 -4.933 264 3HD1 LEU 35 HD13 LEU 35 148.015 7.799 -3.805 265 1HD2 LEU 35 HD21 LEU 35 148.766 8.664 -1.789 266 2HD2 LEU 35 HD22 LEU 35 149.673 9.961 -2.567 267 3HD2 LEU 35 HD23 LEU 35 150.478 8.885 -1.424 268 H LEU 36 HN LEU 36 153.061 7.143 -1.871 269 HA LEU 36 HA LEU 36 154.089 9.145 -3.561 270 1HB LEU 36 HB2 LEU 36 154.582 8.192 -0.823 271 2HB LEU 36 HB1 LEU 36 155.965 8.956 -1.583 272 HG LEU 36 HG LEU 36 154.472 10.930 -2.082 273 1HD1 LEU 36 HD11 LEU 36 152.338 11.059 -1.369 274 2HD1 LEU 36 HD12 LEU 36 152.650 10.107 0.083 275 3HD1 LEU 36 HD13 LEU 36 152.426 9.301 -1.470 276 1HD2 LEU 36 HD21 LEU 36 154.823 11.908 0.032 277 2HD2 LEU 36 HD22 LEU 36 156.106 10.712 -0.154 278 3HD2 LEU 36 HD23 LEU 36 154.707 10.355 0.858 279 H PHE 37 HN PHE 37 155.850 6.370 -2.152 280 HA PHE 37 HA PHE 37 158.224 6.525 -3.440 281 1HB PHE 37 HB2 PHE 37 156.966 4.620 -1.934 282 2HB PHE 37 HB1 PHE 37 157.127 3.794 -3.474 283 HD1 PHE 37 HD1 PHE 37 158.382 2.816 -1.025 284 HD2 PHE 37 HD2 PHE 37 159.823 5.582 -3.923 285 HE1 PHE 37 HE1 PHE 37 160.696 2.220 -0.438 286 HE2 PHE 37 HE2 PHE 37 162.139 4.988 -3.339 287 HZ PHE 37 HZ PHE 37 162.576 3.303 -1.596 288 H ASN 38 HN ASN 38 155.178 5.583 -4.897 289 HA ASN 38 HA ASN 38 156.421 4.587 -7.303 290 1HB ASN 38 HB2 ASN 38 153.604 4.954 -6.363 291 2HB ASN 38 HB1 ASN 38 153.918 4.701 -8.077 292 1HD2 ASN 38 HD21 ASN 38 153.051 2.705 -8.265 293 2HD2 ASN 38 HD22 ASN 38 153.677 1.298 -7.463 294 H LEU 39 HN LEU 39 153.894 7.038 -6.997 295 HA LEU 39 HA LEU 39 154.582 8.364 -9.399 296 1HB LEU 39 HB2 LEU 39 152.672 9.517 -9.066 297 2HB LEU 39 HB1 LEU 39 152.375 8.179 -7.971 298 HG LEU 39 HG LEU 39 153.613 9.880 -6.290 299 1HD1 LEU 39 HD11 LEU 39 153.512 11.417 -8.436 300 2HD1 LEU 39 HD12 LEU 39 153.364 12.066 -6.798 301 3HD1 LEU 39 HD13 LEU 39 151.918 11.791 -7.773 302 1HD2 LEU 39 HD21 LEU 39 150.725 9.570 -7.019 303 2HD2 LEU 39 HD22 LEU 39 151.233 10.633 -5.705 304 3HD2 LEU 39 HD23 LEU 39 151.607 8.908 -5.640 305 H GLN 40 HN GLN 40 155.481 8.864 -6.068 306 HA GLN 40 HA GLN 40 156.633 11.473 -6.631 307 1HB GLN 40 HB2 GLN 40 155.527 10.267 -4.367 308 2HB GLN 40 HB1 GLN 40 157.242 10.400 -4.009 309 1HG GLN 40 HG2 GLN 40 155.893 12.327 -3.244 310 2HG GLN 40 HG1 GLN 40 157.204 12.759 -4.340 311 1HE2 GLN 40 HE21 GLN 40 153.766 12.566 -3.911 312 2HE2 GLN 40 HE22 GLN 40 153.334 13.440 -5.337 313 H PHE 41 HN PHE 41 157.758 8.951 -7.813 314 HA PHE 41 HA PHE 41 160.416 8.955 -6.568 315 1HB PHE 41 HB2 PHE 41 158.961 6.819 -7.208 316 2HB PHE 41 HB1 PHE 41 159.741 7.066 -8.768 317 HD1 PHE 41 HD1 PHE 41 161.328 5.409 -8.989 318 HD2 PHE 41 HD2 PHE 41 161.034 7.521 -5.306 319 HE1 PHE 41 HE1 PHE 41 163.342 4.255 -8.171 320 HE2 PHE 41 HE2 PHE 41 163.047 6.372 -4.481 321 HZ PHE 41 HZ PHE 41 164.205 4.737 -5.914 322 H GLU 42 HN GLU 42 158.843 9.186 -9.748 323 HA GLU 42 HA GLU 42 161.101 9.672 -11.293 324 1HB GLU 42 HB2 GLU 42 158.899 9.226 -12.259 325 2HB GLU 42 HB1 GLU 42 158.305 10.766 -11.653 326 1HG GLU 42 HG2 GLU 42 159.630 11.990 -13.158 327 2HG GLU 42 HG1 GLU 42 160.615 10.584 -13.558 328 H GLU 43 HN GLU 43 159.072 11.936 -9.484 329 HA GLU 43 HA GLU 43 160.691 14.198 -10.285 330 1HB GLU 43 HB2 GLU 43 158.064 13.845 -9.330 331 2HB GLU 43 HB1 GLU 43 158.906 14.777 -8.099 332 1HG GLU 43 HG2 GLU 43 158.743 15.480 -11.022 333 2HG GLU 43 HG1 GLU 43 157.784 16.204 -9.732 334 H ARG 44 HN ARG 44 160.171 12.223 -7.401 335 HA ARG 44 HA ARG 44 162.590 13.429 -6.247 336 1HB ARG 44 HB2 ARG 44 160.223 12.572 -4.594 337 2HB ARG 44 HB1 ARG 44 161.640 13.473 -4.071 338 1HG ARG 44 HG2 ARG 44 159.979 14.689 -6.197 339 2HG ARG 44 HG1 ARG 44 159.305 14.635 -4.567 340 1HD ARG 44 HD2 ARG 44 160.674 16.244 -3.842 341 2HD ARG 44 HD1 ARG 44 162.081 15.497 -4.597 342 HE ARG 44 HE ARG 44 161.827 16.896 -6.397 343 1HH1 ARG 44 HH11 ARG 44 158.952 17.038 -4.423 344 2HH1 ARG 44 HH12 ARG 44 158.282 18.387 -5.277 345 1HH2 ARG 44 HH21 ARG 44 160.946 18.670 -7.522 346 2HH2 ARG 44 HH22 ARG 44 159.413 19.313 -7.036 347 H GLY 45 HN GLY 45 163.672 11.592 -7.183 348 1HA GLY 45 HA2 GLY 45 163.366 9.194 -5.490 349 2HA GLY 45 HA1 GLY 45 163.504 9.038 -7.237 350 H GLY 46 HN GLY 46 165.183 9.189 -4.305 351 1HA GLY 46 HA2 GLY 46 167.721 9.098 -5.770 352 2HA GLY 46 HA1 GLY 46 167.559 10.266 -4.466 353 H VAL 47 HN VAL 47 169.340 7.892 -4.784 354 HA VAL 47 HA VAL 47 168.652 6.619 -2.229 355 HB VAL 47 HB VAL 47 169.803 5.152 -4.608 356 1HG1 VAL 47 HG11 VAL 47 170.528 4.348 -2.374 357 2HG1 VAL 47 HG12 VAL 47 169.586 3.162 -3.277 358 3HG1 VAL 47 HG13 VAL 47 168.835 4.071 -1.966 359 1HG2 VAL 47 HG21 VAL 47 167.459 3.923 -4.123 360 2HG2 VAL 47 HG22 VAL 47 167.653 5.222 -5.300 361 3HG2 VAL 47 HG23 VAL 47 167.033 5.578 -3.687 362 H GLU 48 HN GLU 48 170.175 7.276 -0.858 363 HA GLU 48 HA GLU 48 172.885 7.769 -1.827 364 1HB GLU 48 HB2 GLU 48 173.209 8.667 0.530 365 2HB GLU 48 HB1 GLU 48 172.088 9.548 -0.498 366 1HG GLU 48 HG2 GLU 48 170.272 8.955 0.730 367 2HG GLU 48 HG1 GLU 48 170.978 7.424 1.243 368 H PHE 49 HN PHE 49 174.731 6.857 -0.864 369 HA PHE 49 HA PHE 49 174.236 4.224 0.334 370 1HB PHE 49 HB2 PHE 49 175.530 4.294 -1.784 371 2HB PHE 49 HB1 PHE 49 176.751 5.275 -0.980 372 HD1 PHE 49 HD1 PHE 49 175.239 1.940 -1.195 373 HD2 PHE 49 HD2 PHE 49 178.323 4.305 0.539 374 HE1 PHE 49 HE1 PHE 49 176.379 -0.106 -0.442 375 HE2 PHE 49 HE2 PHE 49 179.470 2.263 1.293 376 HZ PHE 49 HZ PHE 49 178.498 0.054 0.802 377 H VAL 50 HN VAL 50 174.252 4.347 2.485 378 HA VAL 50 HA VAL 50 176.294 6.008 3.796 379 HB VAL 50 HB VAL 50 174.804 5.429 5.878 380 1HG1 VAL 50 HG11 VAL 50 173.359 7.412 5.331 381 2HG1 VAL 50 HG12 VAL 50 174.098 7.415 3.730 382 3HG1 VAL 50 HG13 VAL 50 175.095 7.673 5.161 383 1HG2 VAL 50 HG21 VAL 50 172.590 4.869 5.517 384 2HG2 VAL 50 HG22 VAL 50 173.421 3.867 4.326 385 3HG2 VAL 50 HG23 VAL 50 172.632 5.362 3.824 386 H GLU 51 HN GLU 51 176.699 4.969 6.162 387 HA GLU 51 HA GLU 51 177.653 2.237 5.621 388 1HB GLU 51 HB2 GLU 51 178.753 4.446 7.346 389 2HB GLU 51 HB1 GLU 51 179.252 2.774 7.560 390 1HG GLU 51 HG2 GLU 51 179.545 3.161 4.857 391 2HG GLU 51 HG1 GLU 51 180.026 4.714 5.539 392 H THR 52 HN THR 52 177.993 0.971 7.755 393 HA THR 52 HA THR 52 175.452 0.564 8.917 394 HB THR 52 HB THR 52 178.077 -0.407 10.044 395 HG1 THR 52 HG1 THR 52 176.604 -1.327 7.818 396 1HG2 THR 52 HG21 THR 52 175.250 -1.213 10.353 397 2HG2 THR 52 HG22 THR 52 176.582 -1.260 11.509 398 3HG2 THR 52 HG23 THR 52 176.456 -2.496 10.256 399 H ALA 53 HN ALA 53 175.051 0.556 11.299 400 HA ALA 53 HA ALA 53 176.350 2.844 12.623 401 1HB ALA 53 HB1 ALA 53 174.385 3.891 12.242 402 2HB ALA 53 HB2 ALA 53 173.882 2.990 13.672 403 3HB ALA 53 HB3 ALA 53 173.490 2.382 12.064 404 H ASP 54 HN ASP 54 176.072 2.845 14.997 405 HA ASP 54 HA ASP 54 176.291 0.110 16.021 406 1HB ASP 54 HB2 ASP 54 177.335 1.176 18.003 407 2HB ASP 54 HB1 ASP 54 178.183 1.553 16.506 408 H ASP 55 HN ASP 55 173.708 1.121 15.420 409 HA ASP 55 HA ASP 55 172.443 0.694 17.976 410 1HB ASP 55 HB2 ASP 55 172.652 3.374 16.808 411 2HB ASP 55 HB1 ASP 55 170.995 2.899 17.166 412 H TRP 56 HN TRP 56 172.593 -0.666 15.440 413 HA TRP 56 HA TRP 56 170.083 -0.268 14.087 414 1HB TRP 56 HB2 TRP 56 172.531 -1.770 13.636 415 2HB TRP 56 HB1 TRP 56 171.094 -2.732 13.270 416 HD1 TRP 56 HD1 TRP 56 173.410 -0.621 11.543 417 HE1 TRP 56 HE1 TRP 56 172.382 0.448 9.440 418 HE3 TRP 56 HE3 TRP 56 168.468 -1.455 12.543 419 HZ2 TRP 56 HZ2 TRP 56 169.810 0.879 8.350 420 HZ3 TRP 56 HZ3 TRP 56 166.789 -0.684 10.919 421 HH2 TRP 56 HH2 TRP 56 167.447 0.458 8.865 422 H GLU 57 HN GLU 57 171.183 -2.128 16.762 423 HA GLU 57 HA GLU 57 169.275 -4.234 16.598 424 1HB GLU 57 HB2 GLU 57 170.668 -3.201 19.073 425 2HB GLU 57 HB1 GLU 57 169.950 -4.790 18.849 426 1HG GLU 57 HG2 GLU 57 171.724 -5.584 17.718 427 2HG GLU 57 HG1 GLU 57 172.033 -4.048 16.908 428 H GLU 58 HN GLU 58 167.599 -2.400 16.032 429 HA GLU 58 HA GLU 58 165.826 -2.242 18.284 430 1HB GLU 58 HB2 GLU 58 167.469 0.029 17.516 431 2HB GLU 58 HB1 GLU 58 165.753 0.407 17.449 432 1HG GLU 58 HG2 GLU 58 165.619 0.544 19.655 433 2HG GLU 58 HG1 GLU 58 166.385 -1.030 19.861 434 H GLU 59 HN GLU 59 166.492 -1.025 15.014 435 HA GLU 59 HA GLU 59 163.667 -0.984 14.377 436 1HB GLU 59 HB2 GLU 59 165.144 -0.651 11.994 437 2HB GLU 59 HB1 GLU 59 164.295 0.574 12.917 438 1HG GLU 59 HG2 GLU 59 167.151 -0.242 13.399 439 2HG GLU 59 HG1 GLU 59 166.651 1.131 12.415 440 H ILE 60 HN ILE 60 166.472 -2.562 12.793 441 HA ILE 60 HA ILE 60 164.766 -4.449 11.477 442 HB ILE 60 HB ILE 60 166.839 -5.519 10.707 443 1HG1 ILE 60 HG12 ILE 60 168.423 -3.379 12.096 444 2HG1 ILE 60 HG11 ILE 60 168.040 -4.885 12.934 445 1HG2 ILE 60 HG21 ILE 60 166.217 -3.854 9.247 446 2HG2 ILE 60 HG22 ILE 60 167.853 -3.346 9.669 447 3HG2 ILE 60 HG23 ILE 60 166.463 -2.573 10.433 448 1HD1 ILE 60 HD11 ILE 60 169.027 -5.984 10.785 449 2HD1 ILE 60 HD12 ILE 60 170.092 -5.361 12.045 450 3HD1 ILE 60 HD13 ILE 60 169.805 -4.414 10.585 451 H GLY 61 HN GLY 61 166.550 -4.368 14.462 452 1HA GLY 61 HA2 GLY 61 166.494 -5.798 16.263 453 2HA GLY 61 HA1 GLY 61 165.225 -6.691 15.440 454 H VAL 62 HN VAL 62 168.725 -6.245 15.632 455 HA VAL 62 HA VAL 62 169.505 -8.827 15.851 456 HB VAL 62 HB VAL 62 168.423 -9.413 13.757 457 1HG1 VAL 62 HG11 VAL 62 170.254 -7.633 12.219 458 2HG1 VAL 62 HG12 VAL 62 168.742 -6.999 12.868 459 3HG1 VAL 62 HG13 VAL 62 168.717 -8.350 11.735 460 1HG2 VAL 62 HG21 VAL 62 170.831 -10.222 14.447 461 2HG2 VAL 62 HG22 VAL 62 171.288 -9.381 12.966 462 3HG2 VAL 62 HG23 VAL 62 170.114 -10.695 12.907 463 H LEU 63 HN LEU 63 171.706 -8.958 16.052 464 HA LEU 63 HA LEU 63 173.192 -6.597 16.209 465 1HB LEU 63 HB2 LEU 63 175.075 -7.943 16.717 466 2HB LEU 63 HB1 LEU 63 173.678 -8.739 17.410 467 HG LEU 63 HG LEU 63 174.999 -10.461 16.512 468 1HD1 LEU 63 HD11 LEU 63 173.660 -11.398 14.696 469 2HD1 LEU 63 HD12 LEU 63 172.877 -9.836 14.468 470 3HD1 LEU 63 HD13 LEU 63 172.650 -10.723 15.973 471 1HD2 LEU 63 HD21 LEU 63 175.977 -8.518 14.795 472 2HD2 LEU 63 HD22 LEU 63 175.182 -9.680 13.733 473 3HD2 LEU 63 HD23 LEU 63 176.442 -10.218 14.842 474 H ILE 64 HN ILE 64 174.582 -5.555 14.856 475 HA ILE 64 HA ILE 64 175.024 -6.728 12.196 476 HB ILE 64 HB ILE 64 174.334 -3.825 12.629 477 1HG1 ILE 64 HG12 ILE 64 172.404 -5.297 13.107 478 2HG1 ILE 64 HG11 ILE 64 172.156 -4.319 11.665 479 1HG2 ILE 64 HG21 ILE 64 175.763 -4.317 10.691 480 2HG2 ILE 64 HG22 ILE 64 174.169 -3.735 10.212 481 3HG2 ILE 64 HG23 ILE 64 174.550 -5.453 10.101 482 1HD1 ILE 64 HD11 ILE 64 171.595 -6.193 10.630 483 2HD1 ILE 64 HD12 ILE 64 172.164 -7.183 11.973 484 3HD1 ILE 64 HD13 ILE 64 173.292 -6.663 10.722 485 H ASP 65 HN ASP 65 177.169 -7.138 12.375 486 HA ASP 65 HA ASP 65 179.066 -5.575 13.712 487 1HB ASP 65 HB2 ASP 65 179.135 -7.750 11.705 488 2HB ASP 65 HB1 ASP 65 180.577 -6.743 11.797 489 HA PRO 66 HA PRO 66 178.817 -2.074 10.850 490 1HB PRO 66 HB2 PRO 66 180.783 -0.631 12.157 491 2HB PRO 66 HB1 PRO 66 179.058 -0.586 12.553 492 1HG PRO 66 HG2 PRO 66 181.264 -2.130 13.848 493 2HG PRO 66 HG1 PRO 66 179.884 -1.302 14.592 494 1HD PRO 66 HD2 PRO 66 179.926 -3.966 14.282 495 2HD PRO 66 HD1 PRO 66 178.424 -3.035 14.108 496 H GLU 67 HN GLU 67 180.246 -1.085 9.345 497 HA GLU 67 HA GLU 67 182.024 -0.915 7.942 498 1HB GLU 67 HB2 GLU 67 183.226 -1.848 10.343 499 2HB GLU 67 HB1 GLU 67 183.943 -2.735 9.004 500 1HG GLU 67 HG2 GLU 67 184.930 -0.893 8.129 501 2HG GLU 67 HG1 GLU 67 183.657 0.191 8.690 502 H GLU 68 HN GLU 68 180.467 -3.837 8.679 503 HA GLU 68 HA GLU 68 181.593 -5.037 6.243 504 1HB GLU 68 HB2 GLU 68 181.452 -7.184 7.141 505 2HB GLU 68 HB1 GLU 68 182.038 -6.202 8.481 506 1HG GLU 68 HG2 GLU 68 180.201 -6.548 9.715 507 2HG GLU 68 HG1 GLU 68 179.119 -6.519 8.322 508 H TYR 69 HN TYR 69 179.145 -3.258 6.857 509 HA TYR 69 HA TYR 69 177.334 -4.819 5.174 510 1HB TYR 69 HB2 TYR 69 176.515 -3.416 7.728 511 2HB TYR 69 HB1 TYR 69 175.371 -3.986 6.508 512 HD1 TYR 69 HD1 TYR 69 177.245 -4.835 9.414 513 HD2 TYR 69 HD2 TYR 69 175.388 -6.510 5.968 514 HE1 TYR 69 HE1 TYR 69 177.245 -7.047 10.487 515 HE2 TYR 69 HE2 TYR 69 175.384 -8.718 7.035 516 HH TYR 69 HH TYR 69 176.689 -9.903 8.830 517 H ALA 70 HN ALA 70 176.466 -3.692 3.555 518 HA ALA 70 HA ALA 70 177.154 -0.869 3.351 519 1HB ALA 70 HB1 ALA 70 177.652 -1.699 1.313 520 2HB ALA 70 HB2 ALA 70 175.939 -1.409 1.008 521 3HB ALA 70 HB3 ALA 70 176.495 -3.023 1.451 522 H GLU 71 HN GLU 71 175.767 0.556 4.153 523 HA GLU 71 HA GLU 71 172.941 -0.092 4.338 524 1HB GLU 71 HB2 GLU 71 174.095 0.916 6.266 525 2HB GLU 71 HB1 GLU 71 174.457 2.340 5.300 526 1HG GLU 71 HG2 GLU 71 172.618 2.997 6.526 527 2HG GLU 71 HG1 GLU 71 171.906 2.506 4.989 528 H VAL 72 HN VAL 72 171.425 0.634 3.007 529 HA VAL 72 HA VAL 72 172.051 2.925 1.271 530 HB VAL 72 HB VAL 72 171.150 0.207 0.499 531 1HG1 VAL 72 HG11 VAL 72 170.123 1.261 -1.618 532 2HG1 VAL 72 HG12 VAL 72 169.915 2.700 -0.620 533 3HG1 VAL 72 HG13 VAL 72 169.139 1.186 -0.156 534 1HG2 VAL 72 HG21 VAL 72 172.777 2.414 -0.719 535 2HG2 VAL 72 HG22 VAL 72 172.311 0.979 -1.633 536 3HG2 VAL 72 HG23 VAL 72 173.309 0.819 -0.187 537 H TRP 73 HN TRP 73 170.482 4.429 1.077 538 HA TRP 73 HA TRP 73 167.914 3.871 2.420 539 1HB TRP 73 HB2 TRP 73 169.721 6.260 2.499 540 2HB TRP 73 HB1 TRP 73 167.986 6.496 2.684 541 HD1 TRP 73 HD1 TRP 73 169.473 3.351 4.189 542 HE1 TRP 73 HE1 TRP 73 169.437 3.544 6.753 543 HE3 TRP 73 HE3 TRP 73 168.149 8.266 4.611 544 HZ2 TRP 73 HZ2 TRP 73 168.914 5.519 8.697 545 HZ3 TRP 73 HZ3 TRP 73 167.901 9.233 6.859 546 HH2 TRP 73 HH2 TRP 73 168.277 7.886 8.861 547 H VAL 74 HN VAL 74 166.039 4.484 1.388 548 HA VAL 74 HA VAL 74 166.328 5.858 -1.196 549 HB VAL 74 HB VAL 74 164.367 3.615 -0.763 550 1HG1 VAL 74 HG11 VAL 74 164.203 5.563 -2.541 551 2HG1 VAL 74 HG12 VAL 74 163.766 3.902 -2.952 552 3HG1 VAL 74 HG13 VAL 74 165.344 4.538 -3.415 553 1HG2 VAL 74 HG21 VAL 74 166.408 2.910 -2.623 554 2HG2 VAL 74 HG22 VAL 74 165.964 2.107 -1.118 555 3HG2 VAL 74 HG23 VAL 74 167.173 3.389 -1.109 556 H GLY 75 HN GLY 75 165.369 7.732 -0.967 557 1HA GLY 75 HA2 GLY 75 162.608 7.812 0.019 558 2HA GLY 75 HA1 GLY 75 163.786 8.837 0.822 559 H LEU 76 HN LEU 76 162.547 10.673 0.204 560 HA LEU 76 HA LEU 76 162.828 11.359 -2.654 561 1HB LEU 76 HB2 LEU 76 160.777 12.573 -0.805 562 2HB LEU 76 HB1 LEU 76 160.879 12.728 -2.539 563 HG LEU 76 HG LEU 76 159.157 11.258 -2.390 564 1HD1 LEU 76 HD11 LEU 76 161.650 9.943 -2.933 565 2HD1 LEU 76 HD12 LEU 76 160.071 9.710 -3.672 566 3HD1 LEU 76 HD13 LEU 76 160.501 8.820 -2.213 567 1HD2 LEU 76 HD21 LEU 76 159.913 11.046 0.248 568 2HD2 LEU 76 HD22 LEU 76 160.044 9.392 -0.350 569 3HD2 LEU 76 HD23 LEU 76 158.521 10.267 -0.503 570 H VAL 77 HN VAL 77 165.004 11.813 -1.197 571 HA VAL 77 HA VAL 77 165.396 14.030 0.307 572 HB VAL 77 HB VAL 77 167.632 14.287 -0.742 573 1HG1 VAL 77 HG11 VAL 77 166.551 11.750 0.305 574 2HG1 VAL 77 HG12 VAL 77 167.852 12.771 0.916 575 3HG1 VAL 77 HG13 VAL 77 168.151 11.678 -0.435 576 1HG2 VAL 77 HG21 VAL 77 167.197 13.848 -3.027 577 2HG2 VAL 77 HG22 VAL 77 166.520 12.260 -2.666 578 3HG2 VAL 77 HG23 VAL 77 168.248 12.549 -2.460 579 H ASN 78 HN ASN 78 166.542 16.107 -0.408 580 HA ASN 78 HA ASN 78 165.071 17.289 -2.674 581 1HB ASN 78 HB2 ASN 78 165.924 18.791 -0.197 582 2HB ASN 78 HB1 ASN 78 164.829 19.334 -1.465 583 1HD2 ASN 78 HD21 ASN 78 165.020 18.059 1.582 584 2HD2 ASN 78 HD22 ASN 78 163.409 17.453 1.730 585 H GLU 79 HN GLU 79 166.308 19.763 -2.706 586 HA GLU 79 HA GLU 79 168.627 19.242 -4.202 587 1HB GLU 79 HB2 GLU 79 167.874 21.869 -2.913 588 2HB GLU 79 HB1 GLU 79 168.906 21.637 -4.318 589 1HG GLU 79 HG2 GLU 79 167.168 21.388 -5.726 590 2HG GLU 79 HG1 GLU 79 166.182 20.542 -4.535 591 H GLN 80 HN GLN 80 168.129 19.866 -0.825 592 HA GLN 80 HA GLN 80 170.858 20.499 -0.234 593 1HB GLN 80 HB2 GLN 80 170.070 20.035 2.171 594 2HB GLN 80 HB1 GLN 80 169.351 21.394 1.314 595 1HG GLN 80 HG2 GLN 80 167.380 20.053 0.820 596 2HG GLN 80 HG1 GLN 80 168.105 18.672 1.640 597 1HE2 GLN 80 HE21 GLN 80 167.689 22.123 2.367 598 2HE2 GLN 80 HE22 GLN 80 167.005 21.885 3.935 599 H ASP 81 HN ASP 81 168.930 17.592 -0.372 600 HA ASP 81 HA ASP 81 169.558 15.402 -0.454 601 1HB ASP 81 HB2 ASP 81 171.947 16.741 -1.070 602 2HB ASP 81 HB1 ASP 81 172.375 15.578 0.182 603 H GLU 82 HN GLU 82 168.895 16.900 2.004 604 HA GLU 82 HA GLU 82 170.390 15.444 4.054 605 1HB GLU 82 HB2 GLU 82 168.363 17.665 4.177 606 2HB GLU 82 HB1 GLU 82 168.976 16.855 5.611 607 1HG GLU 82 HG2 GLU 82 170.935 17.981 3.685 608 2HG GLU 82 HG1 GLU 82 170.038 19.092 4.720 609 H MET 83 HN MET 83 168.365 14.229 2.187 610 HA MET 83 HA MET 83 166.382 13.021 2.227 611 1HB MET 83 HB2 MET 83 168.541 11.734 3.199 612 2HB MET 83 HB1 MET 83 167.444 11.552 4.561 613 1HG MET 83 HG2 MET 83 166.230 10.017 3.511 614 2HG MET 83 HG1 MET 83 166.152 10.971 2.033 615 1HE MET 83 HE1 MET 83 166.071 8.764 0.737 616 2HE MET 83 HE2 MET 83 167.573 8.196 0.009 617 3HE MET 83 HE3 MET 83 167.090 9.880 -0.171 618 H ASP 84 HN ASP 84 164.675 14.276 2.861 619 HA ASP 84 HA ASP 84 164.169 14.810 5.649 620 1HB ASP 84 HB2 ASP 84 161.999 15.773 4.741 621 2HB ASP 84 HB1 ASP 84 163.480 16.529 4.161 622 H ASP 85 HN ASP 85 163.185 12.453 3.283 623 HA ASP 85 HA ASP 85 161.773 10.995 5.367 624 1HB ASP 85 HB2 ASP 85 160.057 10.562 3.270 625 2HB ASP 85 HB1 ASP 85 159.763 11.679 4.607 626 H VAL 86 HN VAL 86 162.346 8.956 5.345 627 HA VAL 86 HA VAL 86 163.479 7.812 2.879 628 HB VAL 86 HB VAL 86 165.219 7.545 4.358 629 1HG1 VAL 86 HG11 VAL 86 165.024 7.236 6.757 630 2HG1 VAL 86 HG12 VAL 86 163.270 7.118 6.617 631 3HG1 VAL 86 HG13 VAL 86 164.086 8.635 6.232 632 1HG2 VAL 86 HG21 VAL 86 164.091 5.261 3.689 633 2HG2 VAL 86 HG22 VAL 86 163.836 5.139 5.430 634 3HG2 VAL 86 HG23 VAL 86 165.469 5.316 4.789 635 H PHE 87 HN PHE 87 162.327 6.273 1.892 636 HA PHE 87 HA PHE 87 159.941 5.260 3.200 637 1HB PHE 87 HB2 PHE 87 160.956 5.303 0.388 638 2HB PHE 87 HB1 PHE 87 159.728 4.124 0.834 639 HD1 PHE 87 HD1 PHE 87 159.760 6.693 -1.049 640 HD2 PHE 87 HD2 PHE 87 158.184 5.791 2.799 641 HE1 PHE 87 HE1 PHE 87 158.019 8.397 -1.366 642 HE2 PHE 87 HE2 PHE 87 156.441 7.492 2.489 643 HZ PHE 87 HZ PHE 87 156.354 8.800 0.405 644 H ALA 88 HN ALA 88 163.102 4.142 2.287 645 HA ALA 88 HA ALA 88 162.699 1.724 3.762 646 1HB ALA 88 HB1 ALA 88 163.568 1.128 0.996 647 2HB ALA 88 HB2 ALA 88 161.853 1.451 1.253 648 3HB ALA 88 HB3 ALA 88 162.646 0.143 2.133 649 H LYS 89 HN LYS 89 164.668 0.588 4.203 650 HA LYS 89 HA LYS 89 167.116 1.900 3.268 651 1HB LYS 89 HB2 LYS 89 167.072 0.892 6.062 652 2HB LYS 89 HB1 LYS 89 167.937 2.257 5.379 653 1HG LYS 89 HG2 LYS 89 165.697 3.438 5.261 654 2HG LYS 89 HG1 LYS 89 165.073 2.131 6.268 655 1HD LYS 89 HD2 LYS 89 167.421 2.943 7.527 656 2HD LYS 89 HD1 LYS 89 166.650 4.441 7.003 657 1HE LYS 89 HE2 LYS 89 164.559 2.952 8.028 658 2HE LYS 89 HE1 LYS 89 165.897 2.596 9.119 659 1HZ LYS 89 HZ1 LYS 89 165.006 5.329 8.377 660 2HZ LYS 89 HZ2 LYS 89 166.201 4.934 9.506 661 3HZ LYS 89 HZ3 LYS 89 164.586 4.535 9.811 662 H PHE 90 HN PHE 90 168.807 0.439 2.886 663 HA PHE 90 HA PHE 90 168.105 -2.387 3.342 664 1HB PHE 90 HB2 PHE 90 169.606 -1.215 0.998 665 2HB PHE 90 HB1 PHE 90 169.257 -2.924 1.243 666 HD1 PHE 90 HD1 PHE 90 167.443 0.337 1.144 667 HD2 PHE 90 HD2 PHE 90 167.448 -3.799 0.140 668 HE1 PHE 90 HE1 PHE 90 165.280 0.615 0.009 669 HE2 PHE 90 HE2 PHE 90 165.285 -3.527 -1.002 670 HZ PHE 90 HZ PHE 90 164.198 -1.317 -1.068 671 H LEU 91 HN LEU 91 169.683 -3.859 3.800 672 HA LEU 91 HA LEU 91 172.371 -2.857 4.437 673 1HB LEU 91 HB2 LEU 91 170.601 -4.570 6.188 674 2HB LEU 91 HB1 LEU 91 172.322 -4.372 6.451 675 HG LEU 91 HG LEU 91 170.452 -2.013 6.422 676 1HD1 LEU 91 HD11 LEU 91 171.034 -2.518 9.064 677 2HD1 LEU 91 HD12 LEU 91 170.677 -4.119 8.416 678 3HD1 LEU 91 HD13 LEU 91 169.492 -2.823 8.263 679 1HD2 LEU 91 HD21 LEU 91 172.534 -1.109 6.391 680 2HD2 LEU 91 HD22 LEU 91 173.286 -2.544 7.092 681 3HD2 LEU 91 HD23 LEU 91 172.418 -1.409 8.126 682 H ILE 92 HN ILE 92 173.793 -4.037 3.258 683 HA ILE 92 HA ILE 92 173.131 -6.871 2.777 684 HB ILE 92 HB ILE 92 174.796 -6.182 0.673 685 1HG1 ILE 92 HG12 ILE 92 174.316 -3.770 1.303 686 2HG1 ILE 92 HG11 ILE 92 173.969 -4.220 -0.364 687 1HG2 ILE 92 HG21 ILE 92 171.808 -6.480 0.800 688 2HG2 ILE 92 HG22 ILE 92 173.004 -7.733 0.469 689 3HG2 ILE 92 HG23 ILE 92 172.732 -6.442 -0.701 690 1HD1 ILE 92 HD11 ILE 92 172.259 -3.012 1.494 691 2HD1 ILE 92 HD12 ILE 92 171.652 -4.647 1.236 692 3HD1 ILE 92 HD13 ILE 92 171.878 -3.564 -0.137 693 H SER 93 HN SER 93 174.719 -8.358 2.969 694 HA SER 93 HA SER 93 177.004 -7.688 4.524 695 1HB SER 93 HB2 SER 93 177.334 -9.960 4.741 696 2HB SER 93 HB1 SER 93 175.630 -9.949 4.287 697 HG SER 93 HG SER 93 176.284 -10.339 2.131 698 H HIS 94 HN HIS 94 178.899 -6.931 3.851 699 HA HIS 94 HA HIS 94 179.507 -6.543 1.115 700 1HB HIS 94 HB2 HIS 94 181.045 -6.209 3.669 701 2HB HIS 94 HB1 HIS 94 181.873 -6.066 2.121 702 HD1 HIS 94 HD1 HIS 94 181.476 -3.950 0.769 703 HD2 HIS 94 HD2 HIS 94 179.164 -4.168 4.205 704 HE1 HIS 94 HE1 HIS 94 180.475 -1.659 1.049 705 HE2 HIS 94 HE2 HIS 94 179.160 -1.789 3.193 706 H ARG 95 HN ARG 95 180.346 -9.063 3.403 707 HA ARG 95 HA ARG 95 182.501 -10.235 2.101 708 1HB ARG 95 HB2 ARG 95 181.877 -12.313 3.265 709 2HB ARG 95 HB1 ARG 95 181.825 -10.916 4.330 710 1HG ARG 95 HG2 ARG 95 179.420 -10.843 4.189 711 2HG ARG 95 HG1 ARG 95 179.420 -12.154 3.008 712 1HD ARG 95 HD2 ARG 95 180.027 -13.744 4.583 713 2HD ARG 95 HD1 ARG 95 180.696 -12.542 5.684 714 HE ARG 95 HE ARG 95 177.913 -12.149 5.379 715 1HH1 ARG 95 HH11 ARG 95 180.220 -14.289 6.889 716 2HH1 ARG 95 HH12 ARG 95 179.149 -14.744 8.171 717 1HH2 ARG 95 HH21 ARG 95 176.501 -12.748 7.067 718 2HH2 ARG 95 HH22 ARG 95 177.039 -13.871 8.272 719 H GLU 96 HN GLU 96 182.264 -12.621 1.212 720 HA GLU 96 HA GLU 96 180.472 -12.407 -1.102 721 1HB GLU 96 HB2 GLU 96 183.028 -12.653 -1.318 722 2HB GLU 96 HB1 GLU 96 182.769 -14.330 -0.858 723 1HG GLU 96 HG2 GLU 96 181.382 -14.704 -2.777 724 2HG GLU 96 HG1 GLU 96 181.437 -12.993 -3.200 725 H GLU 97 HN GLU 97 181.696 -14.842 1.205 726 HA GLU 97 HA GLU 97 179.765 -16.799 0.404 727 1HB GLU 97 HB2 GLU 97 182.050 -16.664 2.178 728 2HB GLU 97 HB1 GLU 97 180.704 -17.484 2.959 729 1HG GLU 97 HG2 GLU 97 180.551 -18.878 0.825 730 2HG GLU 97 HG1 GLU 97 182.145 -18.231 0.441 731 H ASP 98 HN ASP 98 177.705 -16.892 0.979 732 HA ASP 98 HA ASP 98 175.759 -16.581 2.112 733 1HB ASP 98 HB2 ASP 98 177.783 -16.586 4.292 734 2HB ASP 98 HB1 ASP 98 176.195 -15.935 4.683 735 H ARG 99 HN ARG 99 174.674 -14.834 1.488 736 HA ARG 99 HA ARG 99 175.632 -12.209 2.408 737 1HB ARG 99 HB2 ARG 99 175.966 -12.081 0.113 738 2HB ARG 99 HB1 ARG 99 174.578 -13.102 -0.250 739 1HG ARG 99 HG2 ARG 99 173.161 -11.360 -0.345 740 2HG ARG 99 HG1 ARG 99 173.928 -10.517 1.001 741 1HD ARG 99 HD2 ARG 99 175.620 -9.632 -0.388 742 2HD ARG 99 HD1 ARG 99 175.210 -10.728 -1.711 743 HE ARG 99 HE ARG 99 174.045 -8.195 -1.179 744 1HH1 ARG 99 HH11 ARG 99 173.286 -11.389 -2.365 745 2HH1 ARG 99 HH12 ARG 99 171.965 -10.847 -3.344 746 1HH2 ARG 99 HH21 ARG 99 172.309 -7.481 -2.468 747 2HH2 ARG 99 HH22 ARG 99 171.410 -8.628 -3.403 748 H GLU 100 HN GLU 100 174.325 -11.406 3.897 749 HA GLU 100 HA GLU 100 171.491 -12.159 3.874 750 1HB GLU 100 HB2 GLU 100 173.134 -12.312 5.939 751 2HB GLU 100 HB1 GLU 100 172.731 -10.610 6.107 752 1HG GLU 100 HG2 GLU 100 171.332 -12.098 7.489 753 2HG GLU 100 HG1 GLU 100 170.405 -11.118 6.354 754 H PHE 101 HN PHE 101 169.898 -10.709 3.555 755 HA PHE 101 HA PHE 101 170.653 -7.876 3.343 756 1HB PHE 101 HB2 PHE 101 169.309 -7.599 1.381 757 2HB PHE 101 HB1 PHE 101 170.373 -8.972 1.100 758 HD1 PHE 101 HD1 PHE 101 169.505 -11.111 0.639 759 HD2 PHE 101 HD2 PHE 101 166.914 -8.001 1.952 760 HE1 PHE 101 HE1 PHE 101 167.555 -12.500 0.069 761 HE2 PHE 101 HE2 PHE 101 164.959 -9.384 1.386 762 HZ PHE 101 HZ PHE 101 165.279 -11.637 0.444 763 H HIS 102 HN HIS 102 169.229 -6.401 4.147 764 HA HIS 102 HA HIS 102 166.662 -7.373 5.176 765 1HB HIS 102 HB2 HIS 102 167.972 -5.399 6.922 766 2HB HIS 102 HB1 HIS 102 167.050 -6.831 7.341 767 HD1 HIS 102 HD1 HIS 102 168.719 -7.455 9.179 768 HD2 HIS 102 HD2 HIS 102 170.433 -7.299 5.396 769 HE1 HIS 102 HE1 HIS 102 170.996 -8.487 9.422 770 HE2 HIS 102 HE2 HIS 102 171.976 -8.459 7.105 771 H VAL 103 HN VAL 103 165.070 -5.700 5.471 772 HA VAL 103 HA VAL 103 165.746 -3.045 4.528 773 HB VAL 103 HB VAL 103 165.217 -4.296 2.460 774 1HG1 VAL 103 HG11 VAL 103 162.338 -4.350 2.977 775 2HG1 VAL 103 HG12 VAL 103 163.264 -5.509 3.931 776 3HG1 VAL 103 HG13 VAL 103 163.369 -5.533 2.170 777 1HG2 VAL 103 HG21 VAL 103 164.861 -1.889 2.588 778 2HG2 VAL 103 HG22 VAL 103 163.229 -2.156 3.202 779 3HG2 VAL 103 HG23 VAL 103 163.646 -2.653 1.562 780 H ILE 104 HN ILE 104 164.495 -1.483 5.353 781 HA ILE 104 HA ILE 104 162.177 -2.335 6.968 782 HB ILE 104 HB ILE 104 162.680 -0.007 8.114 783 1HG1 ILE 104 HG12 ILE 104 164.686 0.226 6.460 784 2HG1 ILE 104 HG11 ILE 104 164.891 0.706 8.140 785 1HG2 ILE 104 HG21 ILE 104 162.555 -2.228 9.167 786 2HG2 ILE 104 HG22 ILE 104 163.788 -1.188 9.886 787 3HG2 ILE 104 HG23 ILE 104 164.258 -2.481 8.781 788 1HD1 ILE 104 HD11 ILE 104 165.627 -2.054 7.284 789 2HD1 ILE 104 HD12 ILE 104 166.251 -1.086 8.619 790 3HD1 ILE 104 HD13 ILE 104 166.713 -0.702 6.961 791 H TRP 105 HN TRP 105 160.264 -1.466 6.521 792 HA TRP 105 HA TRP 105 160.186 0.739 4.570 793 1HB TRP 105 HB2 TRP 105 157.901 -1.130 5.184 794 2HB TRP 105 HB1 TRP 105 158.090 -0.070 3.796 795 HD1 TRP 105 HD1 TRP 105 159.033 -3.514 5.074 796 HE1 TRP 105 HE1 TRP 105 160.156 -4.840 3.175 797 HE3 TRP 105 HE3 TRP 105 159.650 0.258 1.680 798 HZ2 TRP 105 HZ2 TRP 105 161.156 -4.350 0.578 799 HZ3 TRP 105 HZ3 TRP 105 160.661 -0.245 -0.477 800 HH2 TRP 105 HH2 TRP 105 161.423 -2.505 -1.024 801 H LYS 106 HN LYS 106 158.691 2.438 4.843 802 HA LYS 106 HA LYS 106 158.416 3.366 7.489 803 1HB LYS 106 HB2 LYS 106 157.490 4.268 4.807 804 2HB LYS 106 HB1 LYS 106 156.691 4.955 6.214 805 1HG LYS 106 HG2 LYS 106 159.356 5.163 6.856 806 2HG LYS 106 HG1 LYS 106 159.332 5.478 5.120 807 1HD LYS 106 HD2 LYS 106 157.181 6.843 6.519 808 2HD LYS 106 HD1 LYS 106 158.771 7.297 7.133 809 1HE LYS 106 HE2 LYS 106 159.335 7.477 4.565 810 2HE LYS 106 HE1 LYS 106 157.590 7.690 4.427 811 1HZ LYS 106 HZ1 LYS 106 158.415 9.834 4.659 812 2HZ LYS 106 HZ2 LYS 106 159.546 9.395 5.838 813 3HZ LYS 106 HZ3 LYS 106 157.900 9.454 6.226 814 H LYS 107 HN LYS 107 156.375 3.955 8.557 815 HA LYS 107 HA LYS 107 154.093 2.260 7.869 816 1HB LYS 107 HB2 LYS 107 153.875 1.637 10.308 817 2HB LYS 107 HB1 LYS 107 155.203 0.873 9.446 818 1HG LYS 107 HG2 LYS 107 155.980 3.376 10.701 819 2HG LYS 107 HG1 LYS 107 155.367 2.189 11.855 820 1HD LYS 107 HD2 LYS 107 157.302 1.259 9.802 821 2HD LYS 107 HD1 LYS 107 157.918 2.256 11.121 822 1HE LYS 107 HE2 LYS 107 158.108 0.273 12.177 823 2HE LYS 107 HE1 LYS 107 156.394 0.522 12.508 824 1HZ LYS 107 HZ1 LYS 107 156.317 -0.657 10.104 825 2HZ LYS 107 HZ2 LYS 107 156.189 -1.488 11.571 826 3HZ LYS 107 HZ3 LYS 107 157.679 -1.403 10.776 Start of MODEL 3 1 H MET 1 HT1 MET 1 195.932 -19.531 -0.042 2 HA MET 1 HA MET 1 193.988 -20.548 0.530 3 1HB MET 1 HB2 MET 1 196.169 -21.238 1.721 4 2HB MET 1 HB1 MET 1 195.470 -20.492 3.151 5 1HG MET 1 HG2 MET 1 194.925 -22.729 3.380 6 2HG MET 1 HG1 MET 1 193.455 -22.013 2.722 7 1HE MET 1 HE1 MET 1 193.329 -22.629 -0.751 8 2HE MET 1 HE2 MET 1 192.561 -22.150 0.762 9 3HE MET 1 HE3 MET 1 192.390 -23.802 0.171 10 H THR 2 HN THR 2 194.819 -18.349 3.214 11 HA THR 2 HA THR 2 192.243 -18.404 4.374 12 HB THR 2 HB THR 2 194.725 -16.800 4.716 13 HG1 THR 2 HG1 THR 2 192.947 -18.113 6.486 14 1HG2 THR 2 HG21 THR 2 193.043 -15.011 4.716 15 2HG2 THR 2 HG22 THR 2 193.759 -15.266 6.307 16 3HG2 THR 2 HG23 THR 2 192.141 -15.876 5.962 17 H THR 3 HN THR 3 190.462 -17.696 3.412 18 HA THR 3 HA THR 3 190.498 -15.775 1.296 19 HB THR 3 HB THR 3 188.846 -17.528 1.247 20 HG1 THR 3 HG1 THR 3 187.549 -15.081 1.850 21 1HG2 THR 3 HG21 THR 3 188.487 -18.072 3.521 22 2HG2 THR 3 HG22 THR 3 186.947 -17.510 2.872 23 3HG2 THR 3 HG23 THR 3 187.917 -16.444 3.889 24 H GLU 4 HN GLU 4 190.176 -13.634 1.357 25 HA GLU 4 HA GLU 4 189.613 -12.423 3.978 26 1HB GLU 4 HB2 GLU 4 191.806 -11.928 2.766 27 2HB GLU 4 HB1 GLU 4 190.841 -11.024 1.608 28 1HG GLU 4 HG2 GLU 4 191.819 -9.555 3.270 29 2HG GLU 4 HG1 GLU 4 190.059 -9.556 3.383 30 H ILE 5 HN ILE 5 187.987 -10.951 4.223 31 HA ILE 5 HA ILE 5 186.024 -10.844 2.068 32 HB ILE 5 HB ILE 5 185.628 -9.574 4.757 33 1HG1 ILE 5 HG12 ILE 5 184.859 -12.441 4.294 34 2HG1 ILE 5 HG11 ILE 5 186.479 -12.054 4.867 35 1HG2 ILE 5 HG21 ILE 5 184.064 -9.534 2.625 36 2HG2 ILE 5 HG22 ILE 5 183.410 -9.613 4.261 37 3HG2 ILE 5 HG23 ILE 5 183.536 -11.080 3.290 38 1HD1 ILE 5 HD11 ILE 5 185.144 -10.643 6.637 39 2HD1 ILE 5 HD12 ILE 5 185.417 -12.372 6.846 40 3HD1 ILE 5 HD13 ILE 5 183.867 -11.791 6.238 41 H LYS 6 HN LYS 6 185.802 -9.154 0.773 42 HA LYS 6 HA LYS 6 187.202 -6.671 1.452 43 1HB LYS 6 HB2 LYS 6 186.617 -8.103 -1.032 44 2HB LYS 6 HB1 LYS 6 186.282 -6.380 -1.135 45 1HG LYS 6 HG2 LYS 6 188.854 -7.091 0.099 46 2HG LYS 6 HG1 LYS 6 188.689 -7.489 -1.612 47 1HD LYS 6 HD2 LYS 6 188.916 -5.352 -2.200 48 2HD LYS 6 HD1 LYS 6 187.655 -4.851 -1.072 49 1HE LYS 6 HE2 LYS 6 189.319 -4.884 0.751 50 2HE LYS 6 HE1 LYS 6 190.566 -5.301 -0.423 51 1HZ LYS 6 HZ1 LYS 6 189.072 -2.771 -0.143 52 2HZ LYS 6 HZ2 LYS 6 189.822 -3.176 -1.604 53 3HZ LYS 6 HZ3 LYS 6 190.746 -3.013 -0.196 54 H LYS 7 HN LYS 7 185.911 -4.801 0.010 55 HA LYS 7 HA LYS 7 183.203 -4.770 1.178 56 1HB LYS 7 HB2 LYS 7 185.307 -2.649 0.981 57 2HB LYS 7 HB1 LYS 7 183.612 -2.183 1.002 58 1HG LYS 7 HG2 LYS 7 183.603 -3.811 3.108 59 2HG LYS 7 HG1 LYS 7 185.301 -3.315 3.150 60 1HD LYS 7 HD2 LYS 7 183.258 -1.193 2.778 61 2HD LYS 7 HD1 LYS 7 183.378 -1.937 4.374 62 1HE LYS 7 HE2 LYS 7 185.425 -1.050 4.782 63 2HE LYS 7 HE1 LYS 7 185.919 -1.141 3.092 64 1HZ LYS 7 HZ1 LYS 7 183.907 0.813 4.034 65 2HZ LYS 7 HZ2 LYS 7 184.789 0.830 2.590 66 3HZ LYS 7 HZ3 LYS 7 185.565 1.152 4.058 67 H LEU 8 HN LEU 8 181.580 -4.611 -0.204 68 HA LEU 8 HA LEU 8 181.798 -4.680 -2.952 69 1HB LEU 8 HB2 LEU 8 179.678 -4.392 -1.014 70 2HB LEU 8 HB1 LEU 8 179.351 -3.406 -2.422 71 HG LEU 8 HG LEU 8 179.960 -6.359 -2.527 72 1HD1 LEU 8 HD11 LEU 8 177.279 -5.055 -2.900 73 2HD1 LEU 8 HD12 LEU 8 177.816 -5.699 -1.348 74 3HD1 LEU 8 HD13 LEU 8 177.651 -6.771 -2.738 75 1HD2 LEU 8 HD21 LEU 8 178.992 -6.109 -4.819 76 2HD2 LEU 8 HD22 LEU 8 180.535 -5.286 -4.585 77 3HD2 LEU 8 HD23 LEU 8 179.032 -4.361 -4.583 78 H ASP 9 HN ASP 9 181.194 -3.108 -4.580 79 HA ASP 9 HA ASP 9 182.430 -0.548 -4.082 80 1HB ASP 9 HB2 ASP 9 181.689 -2.142 -6.419 81 2HB ASP 9 HB1 ASP 9 181.342 -0.429 -6.628 82 HA PRO 10 HA PRO 10 178.919 1.874 -2.949 83 1HB PRO 10 HB2 PRO 10 179.935 3.762 -5.033 84 2HB PRO 10 HB1 PRO 10 179.463 4.081 -3.355 85 1HG PRO 10 HG2 PRO 10 182.032 3.945 -4.036 86 2HG PRO 10 HG1 PRO 10 181.461 3.268 -2.500 87 1HD PRO 10 HD2 PRO 10 182.273 1.872 -5.001 88 2HD PRO 10 HD1 PRO 10 182.430 1.350 -3.312 89 H ASP 11 HN ASP 11 179.600 2.253 -6.436 90 HA ASP 11 HA ASP 11 176.956 2.643 -7.231 91 1HB ASP 11 HB2 ASP 11 177.744 2.043 -9.500 92 2HB ASP 11 HB1 ASP 11 178.823 3.177 -8.693 93 H THR 12 HN THR 12 178.838 -0.341 -6.940 94 HA THR 12 HA THR 12 177.096 -2.137 -8.126 95 HB THR 12 HB THR 12 178.687 -2.710 -5.625 96 HG1 THR 12 HG1 THR 12 179.562 -2.677 -8.322 97 1HG2 THR 12 HG21 THR 12 177.597 -4.674 -6.070 98 2HG2 THR 12 HG22 THR 12 179.071 -4.872 -7.017 99 3HG2 THR 12 HG23 THR 12 177.571 -4.393 -7.810 100 H ALA 13 HN ALA 13 177.296 -1.589 -4.595 101 HA ALA 13 HA ALA 13 175.061 -2.977 -3.833 102 1HB ALA 13 HB1 ALA 13 175.410 -0.412 -2.431 103 2HB ALA 13 HB2 ALA 13 176.845 -1.432 -2.529 104 3HB ALA 13 HB3 ALA 13 175.366 -2.058 -1.799 105 H ILE 14 HN ILE 14 175.182 0.422 -4.882 106 HA ILE 14 HA ILE 14 172.566 1.143 -4.457 107 HB ILE 14 HB ILE 14 174.668 2.060 -6.335 108 1HG1 ILE 14 HG12 ILE 14 173.440 4.233 -5.160 109 2HG1 ILE 14 HG11 ILE 14 173.236 2.973 -3.948 110 1HG2 ILE 14 HG21 ILE 14 171.750 2.606 -6.738 111 2HG2 ILE 14 HG22 ILE 14 172.987 2.219 -7.934 112 3HG2 ILE 14 HG23 ILE 14 172.963 3.810 -7.173 113 1HD1 ILE 14 HD11 ILE 14 175.521 2.726 -3.647 114 2HD1 ILE 14 HD12 ILE 14 175.311 4.466 -3.836 115 3HD1 ILE 14 HD13 ILE 14 175.906 3.498 -5.185 116 H ASP 15 HN ASP 15 173.856 -0.543 -7.338 117 HA ASP 15 HA ASP 15 171.333 -0.507 -8.673 118 1HB ASP 15 HB2 ASP 15 172.418 -2.396 -10.067 119 2HB ASP 15 HB1 ASP 15 173.095 -0.774 -10.171 120 H ILE 16 HN ILE 16 172.986 -2.853 -6.619 121 HA ILE 16 HA ILE 16 171.120 -4.944 -7.008 122 HB ILE 16 HB ILE 16 172.855 -4.486 -4.575 123 1HG1 ILE 16 HG12 ILE 16 173.703 -6.421 -6.634 124 2HG1 ILE 16 HG11 ILE 16 173.774 -4.729 -7.130 125 1HG2 ILE 16 HG21 ILE 16 172.237 -7.204 -5.508 126 2HG2 ILE 16 HG22 ILE 16 170.870 -6.298 -4.860 127 3HG2 ILE 16 HG23 ILE 16 172.308 -6.553 -3.871 128 1HD1 ILE 16 HD11 ILE 16 175.878 -5.665 -6.151 129 2HD1 ILE 16 HD12 ILE 16 175.033 -5.758 -4.606 130 3HD1 ILE 16 HD13 ILE 16 175.279 -4.195 -5.384 131 H ALA 17 HN ALA 17 171.597 -2.955 -4.072 132 HA ALA 17 HA ALA 17 169.301 -3.625 -2.731 133 1HB ALA 17 HB1 ALA 17 170.778 -2.338 -1.505 134 2HB ALA 17 HB2 ALA 17 169.469 -1.198 -1.819 135 3HB ALA 17 HB3 ALA 17 170.947 -1.130 -2.779 136 H TYR 18 HN TYR 18 169.698 -1.133 -5.219 137 HA TYR 18 HA TYR 18 167.182 0.041 -5.090 138 1HB TYR 18 HB2 TYR 18 168.962 0.974 -6.460 139 2HB TYR 18 HB1 TYR 18 168.941 -0.442 -7.506 140 HD1 TYR 18 HD1 TYR 18 166.012 1.420 -6.180 141 HD2 TYR 18 HD2 TYR 18 168.394 0.504 -9.584 142 HE1 TYR 18 HE1 TYR 18 164.360 2.528 -7.627 143 HE2 TYR 18 HE2 TYR 18 166.750 1.609 -11.040 144 HH TYR 18 HH TYR 18 164.973 3.415 -10.773 145 H ASP 19 HN ASP 19 168.254 -2.709 -7.082 146 HA ASP 19 HA ASP 19 165.878 -3.285 -8.368 147 1HB ASP 19 HB2 ASP 19 168.366 -4.476 -8.187 148 2HB ASP 19 HB1 ASP 19 167.294 -5.694 -7.490 149 H ILE 20 HN ILE 20 166.880 -4.042 -5.086 150 HA ILE 20 HA ILE 20 164.847 -5.875 -4.441 151 HB ILE 20 HB ILE 20 166.139 -3.910 -2.542 152 1HG1 ILE 20 HG12 ILE 20 167.076 -6.650 -3.430 153 2HG1 ILE 20 HG11 ILE 20 167.873 -5.113 -3.772 154 1HG2 ILE 20 HG21 ILE 20 164.187 -5.060 -1.643 155 2HG2 ILE 20 HG22 ILE 20 165.664 -5.605 -0.850 156 3HG2 ILE 20 HG23 ILE 20 164.895 -6.616 -2.074 157 1HD1 ILE 20 HD11 ILE 20 169.137 -5.795 -2.022 158 2HD1 ILE 20 HD12 ILE 20 167.828 -6.722 -1.290 159 3HD1 ILE 20 HD13 ILE 20 167.866 -4.967 -1.122 160 H PHE 21 HN PHE 21 165.019 -2.494 -3.313 161 HA PHE 21 HA PHE 21 162.506 -2.121 -2.401 162 1HB PHE 21 HB2 PHE 21 164.142 -0.369 -2.257 163 2HB PHE 21 HB1 PHE 21 164.197 -0.201 -4.007 164 HD1 PHE 21 HD1 PHE 21 161.471 -0.245 -1.452 165 HD2 PHE 21 HD2 PHE 21 163.306 1.782 -4.713 166 HE1 PHE 21 HE1 PHE 21 159.748 1.507 -1.329 167 HE2 PHE 21 HE2 PHE 21 161.586 3.541 -4.596 168 HZ PHE 21 HZ PHE 21 159.803 3.401 -2.901 169 H LEU 22 HN LEU 22 163.408 -2.451 -5.754 170 HA LEU 22 HA LEU 22 161.007 -1.404 -6.859 171 1HB LEU 22 HB2 LEU 22 163.472 -2.551 -7.809 172 2HB LEU 22 HB1 LEU 22 162.113 -3.262 -8.670 173 HG LEU 22 HG LEU 22 161.445 -1.177 -9.560 174 1HD1 LEU 22 HD11 LEU 22 162.666 0.941 -8.883 175 2HD1 LEU 22 HD12 LEU 22 163.261 0.034 -7.492 176 3HD1 LEU 22 HD13 LEU 22 161.529 0.279 -7.709 177 1HD2 LEU 22 HD21 LEU 22 163.131 -1.650 -10.971 178 2HD2 LEU 22 HD22 LEU 22 164.303 -1.863 -9.671 179 3HD2 LEU 22 HD23 LEU 22 163.887 -0.242 -10.227 180 H GLU 23 HN GLU 23 162.119 -4.717 -6.176 181 HA GLU 23 HA GLU 23 159.481 -5.732 -6.923 182 1HB GLU 23 HB2 GLU 23 160.865 -7.233 -7.884 183 2HB GLU 23 HB1 GLU 23 162.202 -6.828 -6.821 184 1HG GLU 23 HG2 GLU 23 161.277 -8.242 -5.081 185 2HG GLU 23 HG1 GLU 23 159.888 -8.615 -6.102 186 H MET 24 HN MET 24 161.470 -5.196 -4.124 187 HA MET 24 HA MET 24 159.979 -6.916 -2.383 188 1HB MET 24 HB2 MET 24 162.296 -5.140 -2.177 189 2HB MET 24 HB1 MET 24 161.284 -5.132 -0.740 190 1HG MET 24 HG2 MET 24 161.456 -7.786 -1.207 191 2HG MET 24 HG1 MET 24 163.018 -7.238 -1.828 192 1HE MET 24 HE1 MET 24 160.802 -6.528 1.701 193 2HE MET 24 HE2 MET 24 161.700 -7.888 2.373 194 3HE MET 24 HE3 MET 24 160.795 -8.085 0.872 195 H ALA 25 HN ALA 25 160.119 -3.405 -2.914 196 HA ALA 25 HA ALA 25 158.312 -2.634 -0.936 197 1HB ALA 25 HB1 ALA 25 158.138 -0.556 -2.060 198 2HB ALA 25 HB2 ALA 25 158.578 -1.277 -3.608 199 3HB ALA 25 HB3 ALA 25 159.780 -1.139 -2.326 200 H GLY 26 HN GLY 26 156.205 -1.319 -1.884 201 1HA GLY 26 HA2 GLY 26 154.005 -1.594 -2.479 202 2HA GLY 26 HA1 GLY 26 154.621 -2.511 -3.846 203 H GLU 27 HN GLU 27 155.140 -3.412 -0.515 204 HA GLU 27 HA GLU 27 152.999 -5.341 -0.475 205 1HB GLU 27 HB2 GLU 27 155.855 -6.166 -0.880 206 2HB GLU 27 HB1 GLU 27 154.734 -7.221 -0.031 207 1HG GLU 27 HG2 GLU 27 154.453 -6.205 -2.847 208 2HG GLU 27 HG1 GLU 27 154.876 -7.843 -2.354 209 H ASN 28 HN ASN 28 155.775 -3.849 1.056 210 HA ASN 28 HA ASN 28 154.767 -4.762 3.666 211 1HB ASN 28 HB2 ASN 28 157.524 -4.428 2.599 212 2HB ASN 28 HB1 ASN 28 157.255 -4.013 4.299 213 1HD2 ASN 28 HD21 ASN 28 157.841 -5.618 5.551 214 2HD2 ASN 28 HD22 ASN 28 157.567 -7.298 5.261 215 H LEU 29 HN LEU 29 155.461 -2.031 1.685 216 HA LEU 29 HA LEU 29 155.362 -0.206 3.973 217 1HB LEU 29 HB2 LEU 29 156.935 -0.135 1.790 218 2HB LEU 29 HB1 LEU 29 155.602 0.844 1.215 219 HG LEU 29 HG LEU 29 156.820 1.492 3.861 220 1HD1 LEU 29 HD11 LEU 29 158.177 3.134 2.178 221 2HD1 LEU 29 HD12 LEU 29 158.189 1.615 1.282 222 3HD1 LEU 29 HD13 LEU 29 158.837 1.678 2.921 223 1HD2 LEU 29 HD21 LEU 29 155.011 2.720 1.973 224 2HD2 LEU 29 HD22 LEU 29 156.341 3.787 2.425 225 3HD2 LEU 29 HD23 LEU 29 155.307 3.095 3.669 226 H ASP 30 HN ASP 30 153.989 1.723 3.802 227 HA ASP 30 HA ASP 30 151.298 1.054 3.384 228 1HB ASP 30 HB2 ASP 30 150.940 3.570 3.646 229 2HB ASP 30 HB1 ASP 30 151.758 2.753 4.974 230 HA PRO 31 HA PRO 31 150.685 1.304 -1.013 231 1HB PRO 31 HB2 PRO 31 148.246 2.791 -0.101 232 2HB PRO 31 HB1 PRO 31 148.396 1.523 -1.330 233 1HG PRO 31 HG2 PRO 31 147.479 0.950 1.103 234 2HG PRO 31 HG1 PRO 31 148.553 -0.171 0.246 235 1HD PRO 31 HD2 PRO 31 149.117 1.581 2.569 236 2HD PRO 31 HD1 PRO 31 149.881 0.049 2.094 237 H ALA 32 HN ALA 32 150.401 4.135 1.065 238 HA ALA 32 HA ALA 32 150.206 6.161 -0.802 239 1HB ALA 32 HB1 ALA 32 151.039 7.636 0.856 240 2HB ALA 32 HB2 ALA 32 151.917 6.339 1.668 241 3HB ALA 32 HB3 ALA 32 150.154 6.371 1.710 242 H ASP 33 HN ASP 33 153.211 4.803 0.553 243 HA ASP 33 HA ASP 33 155.008 6.291 -0.964 244 1HB ASP 33 HB2 ASP 33 155.641 4.887 0.970 245 2HB ASP 33 HB1 ASP 33 155.380 3.447 -0.008 246 H ILE 34 HN ILE 34 153.184 3.423 -1.814 247 HA ILE 34 HA ILE 34 154.637 2.667 -4.101 248 HB ILE 34 HB ILE 34 151.693 2.328 -3.502 249 1HG1 ILE 34 HG12 ILE 34 153.903 0.282 -3.314 250 2HG1 ILE 34 HG11 ILE 34 153.422 1.289 -1.946 251 1HG2 ILE 34 HG21 ILE 34 151.740 0.548 -5.197 252 2HG2 ILE 34 HG22 ILE 34 153.392 1.007 -5.611 253 3HG2 ILE 34 HG23 ILE 34 152.067 2.138 -5.885 254 1HD1 ILE 34 HD11 ILE 34 151.029 0.300 -2.691 255 2HD1 ILE 34 HD12 ILE 34 152.083 -0.448 -1.490 256 3HD1 ILE 34 HD13 ILE 34 152.090 -1.031 -3.155 257 H LEU 35 HN LEU 35 151.773 4.745 -3.749 258 HA LEU 35 HA LEU 35 151.617 5.464 -6.483 259 1HB LEU 35 HB2 LEU 35 149.710 5.703 -5.002 260 2HB LEU 35 HB1 LEU 35 150.586 6.849 -4.006 261 HG LEU 35 HG LEU 35 150.511 7.784 -6.728 262 1HD1 LEU 35 HD11 LEU 35 148.131 8.142 -6.970 263 2HD1 LEU 35 HD12 LEU 35 147.821 7.259 -5.475 264 3HD1 LEU 35 HD13 LEU 35 148.477 6.415 -6.878 265 1HD2 LEU 35 HD21 LEU 35 148.982 9.062 -4.525 266 2HD2 LEU 35 HD22 LEU 35 150.043 9.784 -5.734 267 3HD2 LEU 35 HD23 LEU 35 150.732 8.927 -4.356 268 H LEU 36 HN LEU 36 152.978 7.108 -3.644 269 HA LEU 36 HA LEU 36 153.902 9.418 -4.909 270 1HB LEU 36 HB2 LEU 36 154.342 8.033 -2.379 271 2HB LEU 36 HB1 LEU 36 155.776 8.875 -2.930 272 HG LEU 36 HG LEU 36 154.119 10.088 -1.356 273 1HD1 LEU 36 HD11 LEU 36 156.076 10.969 -2.864 274 2HD1 LEU 36 HD12 LEU 36 154.980 12.086 -2.050 275 3HD1 LEU 36 HD13 LEU 36 154.754 11.718 -3.760 276 1HD2 LEU 36 HD21 LEU 36 152.756 10.741 -3.953 277 2HD2 LEU 36 HD22 LEU 36 152.262 11.162 -2.313 278 3HD2 LEU 36 HD23 LEU 36 152.158 9.489 -2.863 279 H PHE 37 HN PHE 37 155.711 6.466 -4.111 280 HA PHE 37 HA PHE 37 158.128 7.072 -5.296 281 1HB PHE 37 HB2 PHE 37 158.043 5.124 -3.971 282 2HB PHE 37 HB1 PHE 37 156.685 4.464 -4.872 283 HD1 PHE 37 HD1 PHE 37 157.395 2.428 -5.685 284 HD2 PHE 37 HD2 PHE 37 159.930 5.822 -6.085 285 HE1 PHE 37 HE1 PHE 37 158.945 1.103 -7.062 286 HE2 PHE 37 HE2 PHE 37 161.485 4.503 -7.463 287 HZ PHE 37 HZ PHE 37 160.993 2.142 -7.954 288 H ASN 38 HN ASN 38 155.118 6.218 -6.801 289 HA ASN 38 HA ASN 38 156.241 5.505 -9.339 290 1HB ASN 38 HB2 ASN 38 153.550 5.746 -8.168 291 2HB ASN 38 HB1 ASN 38 153.636 6.124 -9.885 292 1HD2 ASN 38 HD21 ASN 38 154.996 3.724 -7.645 293 2HD2 ASN 38 HD22 ASN 38 154.677 2.351 -8.660 294 H LEU 39 HN LEU 39 154.137 8.243 -8.417 295 HA LEU 39 HA LEU 39 154.725 9.724 -10.757 296 1HB LEU 39 HB2 LEU 39 153.625 10.692 -8.118 297 2HB LEU 39 HB1 LEU 39 153.601 11.593 -9.620 298 HG LEU 39 HG LEU 39 151.453 10.780 -9.553 299 1HD1 LEU 39 HD11 LEU 39 152.984 8.588 -10.945 300 2HD1 LEU 39 HD12 LEU 39 152.425 10.099 -11.663 301 3HD1 LEU 39 HD13 LEU 39 151.256 8.896 -11.118 302 1HD2 LEU 39 HD21 LEU 39 152.147 8.005 -8.753 303 2HD2 LEU 39 HD22 LEU 39 150.705 8.959 -8.404 304 3HD2 LEU 39 HD23 LEU 39 152.202 9.270 -7.525 305 H GLN 40 HN GLN 40 156.301 9.453 -7.679 306 HA GLN 40 HA GLN 40 157.976 11.777 -8.272 307 1HB GLN 40 HB2 GLN 40 157.920 10.159 -5.728 308 2HB GLN 40 HB1 GLN 40 158.619 11.754 -5.967 309 1HG GLN 40 HG2 GLN 40 155.692 11.068 -6.063 310 2HG GLN 40 HG1 GLN 40 156.533 11.880 -4.743 311 1HE2 GLN 40 HE21 GLN 40 154.483 13.215 -5.591 312 2HE2 GLN 40 HE22 GLN 40 154.915 14.533 -6.620 313 H PHE 41 HN PHE 41 160.055 10.568 -6.433 314 HA PHE 41 HA PHE 41 161.948 9.316 -6.545 315 1HB PHE 41 HB2 PHE 41 160.190 7.479 -7.153 316 2HB PHE 41 HB1 PHE 41 160.845 7.654 -8.784 317 HD1 PHE 41 HD1 PHE 41 161.640 6.716 -5.314 318 HD2 PHE 41 HD2 PHE 41 162.995 6.813 -9.347 319 HE1 PHE 41 HE1 PHE 41 163.510 5.233 -4.717 320 HE2 PHE 41 HE2 PHE 41 164.866 5.328 -8.758 321 HZ PHE 41 HZ PHE 41 165.128 4.537 -6.440 322 H GLU 42 HN GLU 42 160.634 9.593 -9.853 323 HA GLU 42 HA GLU 42 163.125 9.914 -11.116 324 1HB GLU 42 HB2 GLU 42 161.170 9.297 -12.398 325 2HB GLU 42 HB1 GLU 42 160.356 10.791 -11.956 326 1HG GLU 42 HG2 GLU 42 161.830 12.088 -13.286 327 2HG GLU 42 HG1 GLU 42 162.904 10.715 -13.546 328 H GLU 43 HN GLU 43 160.870 12.202 -9.690 329 HA GLU 43 HA GLU 43 162.623 14.435 -10.403 330 1HB GLU 43 HB2 GLU 43 159.763 14.157 -9.690 331 2HB GLU 43 HB1 GLU 43 160.563 15.612 -9.109 332 1HG GLU 43 HG2 GLU 43 160.691 14.748 -11.979 333 2HG GLU 43 HG1 GLU 43 159.389 15.754 -11.348 334 H ARG 44 HN ARG 44 161.165 12.858 -7.575 335 HA ARG 44 HA ARG 44 163.121 14.284 -5.894 336 1HB ARG 44 HB2 ARG 44 160.441 13.216 -4.997 337 2HB ARG 44 HB1 ARG 44 161.554 14.209 -4.065 338 1HG ARG 44 HG2 ARG 44 160.721 15.415 -6.594 339 2HG ARG 44 HG1 ARG 44 159.403 15.132 -5.456 340 1HD ARG 44 HD2 ARG 44 160.995 16.218 -3.725 341 2HD ARG 44 HD1 ARG 44 161.842 16.840 -5.141 342 HE ARG 44 HE ARG 44 159.375 17.778 -4.079 343 1HH1 ARG 44 HH11 ARG 44 161.117 17.311 -7.067 344 2HH1 ARG 44 HH12 ARG 44 160.280 18.577 -7.899 345 1HH2 ARG 44 HH21 ARG 44 158.272 19.445 -5.172 346 2HH2 ARG 44 HH22 ARG 44 158.665 19.790 -6.823 347 H GLY 45 HN GLY 45 164.090 12.095 -7.047 348 1HA GLY 45 HA2 GLY 45 163.597 9.756 -5.398 349 2HA GLY 45 HA1 GLY 45 164.707 9.862 -6.761 350 H GLY 46 HN GLY 46 164.791 9.066 -3.732 351 1HA GLY 46 HA2 GLY 46 167.470 10.186 -3.347 352 2HA GLY 46 HA1 GLY 46 166.288 10.418 -2.068 353 H VAL 47 HN VAL 47 168.744 8.461 -3.177 354 HA VAL 47 HA VAL 47 168.176 6.479 -1.147 355 HB VAL 47 HB VAL 47 167.105 5.431 -3.122 356 1HG1 VAL 47 HG11 VAL 47 169.585 5.178 -4.666 357 2HG1 VAL 47 HG12 VAL 47 168.908 6.805 -4.596 358 3HG1 VAL 47 HG13 VAL 47 167.928 5.467 -5.197 359 1HG2 VAL 47 HG21 VAL 47 169.795 4.161 -2.588 360 2HG2 VAL 47 HG22 VAL 47 168.350 3.357 -3.200 361 3HG2 VAL 47 HG23 VAL 47 168.375 3.995 -1.558 362 H GLU 48 HN GLU 48 169.988 6.996 -0.027 363 HA GLU 48 HA GLU 48 172.535 7.046 -1.492 364 1HB GLU 48 HB2 GLU 48 172.029 8.070 1.298 365 2HB GLU 48 HB1 GLU 48 173.435 8.371 0.286 366 1HG GLU 48 HG2 GLU 48 170.728 9.227 -0.633 367 2HG GLU 48 HG1 GLU 48 171.611 10.192 0.550 368 H PHE 49 HN PHE 49 174.297 5.924 -0.815 369 HA PHE 49 HA PHE 49 173.756 3.480 0.654 370 1HB PHE 49 HB2 PHE 49 175.056 3.358 -1.414 371 2HB PHE 49 HB1 PHE 49 176.264 4.446 -0.738 372 HD1 PHE 49 HD1 PHE 49 177.839 3.681 0.922 373 HD2 PHE 49 HD2 PHE 49 174.909 1.055 -0.698 374 HE1 PHE 49 HE1 PHE 49 179.063 1.756 1.841 375 HE2 PHE 49 HE2 PHE 49 176.128 -0.876 0.218 376 HZ PHE 49 HZ PHE 49 178.205 -0.525 1.490 377 H VAL 50 HN VAL 50 173.605 3.923 2.811 378 HA VAL 50 HA VAL 50 175.640 5.557 4.102 379 HB VAL 50 HB VAL 50 174.286 4.975 6.202 380 1HG1 VAL 50 HG11 VAL 50 173.170 6.593 3.928 381 2HG1 VAL 50 HG12 VAL 50 174.119 7.151 5.306 382 3HG1 VAL 50 HG13 VAL 50 172.462 6.594 5.544 383 1HG2 VAL 50 HG21 VAL 50 171.915 4.471 4.566 384 2HG2 VAL 50 HG22 VAL 50 172.421 3.741 6.090 385 3HG2 VAL 50 HG23 VAL 50 173.083 3.151 4.567 386 H GLU 51 HN GLU 51 176.284 4.640 6.383 387 HA GLU 51 HA GLU 51 177.396 1.955 5.913 388 1HB GLU 51 HB2 GLU 51 178.778 4.226 6.401 389 2HB GLU 51 HB1 GLU 51 178.545 3.654 8.047 390 1HG GLU 51 HG2 GLU 51 180.215 2.233 7.801 391 2HG GLU 51 HG1 GLU 51 179.366 1.447 6.471 392 H THR 52 HN THR 52 177.979 0.865 8.121 393 HA THR 52 HA THR 52 175.501 0.415 9.467 394 HB THR 52 HB THR 52 178.069 -0.586 10.602 395 HG1 THR 52 HG1 THR 52 178.573 -1.008 8.552 396 1HG2 THR 52 HG21 THR 52 175.280 -1.442 10.495 397 2HG2 THR 52 HG22 THR 52 176.540 -1.797 11.680 398 3HG2 THR 52 HG23 THR 52 176.448 -2.727 10.184 399 H ALA 53 HN ALA 53 175.296 0.453 11.847 400 HA ALA 53 HA ALA 53 176.888 2.485 13.203 401 1HB ALA 53 HB1 ALA 53 174.455 3.287 14.020 402 2HB ALA 53 HB2 ALA 53 174.079 2.788 12.370 403 3HB ALA 53 HB3 ALA 53 175.316 4.012 12.661 404 H ASP 54 HN ASP 54 176.083 2.683 15.560 405 HA ASP 54 HA ASP 54 175.867 -0.025 16.605 406 1HB ASP 54 HB2 ASP 54 176.427 2.628 17.939 407 2HB ASP 54 HB1 ASP 54 176.307 1.102 18.810 408 H ASP 55 HN ASP 55 173.833 2.607 15.957 409 HA ASP 55 HA ASP 55 171.895 1.906 18.020 410 1HB ASP 55 HB2 ASP 55 172.260 4.189 16.143 411 2HB ASP 55 HB1 ASP 55 170.619 3.818 16.664 412 H TRP 56 HN TRP 56 172.303 -0.174 16.264 413 HA TRP 56 HA TRP 56 170.053 -0.093 14.392 414 1HB TRP 56 HB2 TRP 56 172.589 -1.579 14.536 415 2HB TRP 56 HB1 TRP 56 171.200 -2.553 14.034 416 HD1 TRP 56 HD1 TRP 56 173.821 -0.543 12.569 417 HE1 TRP 56 HE1 TRP 56 173.202 0.259 10.202 418 HE3 TRP 56 HE3 TRP 56 168.806 -1.513 12.674 419 HZ2 TRP 56 HZ2 TRP 56 170.889 0.451 8.592 420 HZ3 TRP 56 HZ3 TRP 56 167.460 -0.993 10.681 421 HH2 TRP 56 HH2 TRP 56 168.482 -0.032 8.683 422 H GLU 57 HN GLU 57 171.142 -1.604 17.331 423 HA GLU 57 HA GLU 57 169.245 -3.712 17.404 424 1HB GLU 57 HB2 GLU 57 170.875 -2.354 19.546 425 2HB GLU 57 HB1 GLU 57 169.776 -3.681 19.900 426 1HG GLU 57 HG2 GLU 57 171.100 -4.918 18.036 427 2HG GLU 57 HG1 GLU 57 172.329 -3.696 18.360 428 H GLU 58 HN GLU 58 167.557 -1.997 16.592 429 HA GLU 58 HA GLU 58 165.700 -1.619 18.734 430 1HB GLU 58 HB2 GLU 58 167.351 0.597 17.786 431 2HB GLU 58 HB1 GLU 58 165.628 0.938 17.694 432 1HG GLU 58 HG2 GLU 58 166.809 -0.174 20.202 433 2HG GLU 58 HG1 GLU 58 166.943 1.545 19.837 434 H GLU 59 HN GLU 59 166.549 -0.735 15.403 435 HA GLU 59 HA GLU 59 163.824 -0.591 14.533 436 1HB GLU 59 HB2 GLU 59 166.478 -0.555 13.117 437 2HB GLU 59 HB1 GLU 59 164.968 -0.615 12.220 438 1HG GLU 59 HG2 GLU 59 165.912 1.551 14.075 439 2HG GLU 59 HG1 GLU 59 165.672 1.649 12.331 440 H ILE 60 HN ILE 60 166.338 -2.621 13.072 441 HA ILE 60 HA ILE 60 164.450 -4.610 12.304 442 HB ILE 60 HB ILE 60 166.468 -5.921 11.615 443 1HG1 ILE 60 HG12 ILE 60 167.967 -3.452 12.528 444 2HG1 ILE 60 HG11 ILE 60 167.997 -5.014 13.352 445 1HG2 ILE 60 HG21 ILE 60 165.873 -3.160 10.681 446 2HG2 ILE 60 HG22 ILE 60 165.637 -4.705 9.864 447 3HG2 ILE 60 HG23 ILE 60 167.253 -4.011 9.987 448 1HD1 ILE 60 HD11 ILE 60 168.817 -5.916 11.071 449 2HD1 ILE 60 HD12 ILE 60 169.940 -5.043 12.115 450 3HD1 ILE 60 HD13 ILE 60 169.202 -4.227 10.737 451 H GLY 61 HN GLY 61 166.574 -4.193 15.039 452 1HA GLY 61 HA2 GLY 61 166.605 -5.328 17.049 453 2HA GLY 61 HA1 GLY 61 165.271 -6.310 16.462 454 H VAL 62 HN VAL 62 168.772 -5.910 16.394 455 HA VAL 62 HA VAL 62 169.458 -8.519 16.823 456 HB VAL 62 HB VAL 62 170.359 -8.857 14.289 457 1HG1 VAL 62 HG11 VAL 62 169.174 -10.763 14.362 458 2HG1 VAL 62 HG12 VAL 62 167.662 -9.945 14.754 459 3HG1 VAL 62 HG13 VAL 62 168.859 -10.244 16.017 460 1HG2 VAL 62 HG21 VAL 62 167.554 -8.193 13.645 461 2HG2 VAL 62 HG22 VAL 62 169.005 -8.097 12.647 462 3HG2 VAL 62 HG23 VAL 62 168.659 -6.831 13.824 463 H LEU 63 HN LEU 63 171.702 -8.805 16.895 464 HA LEU 63 HA LEU 63 173.214 -6.394 16.952 465 1HB LEU 63 HB2 LEU 63 175.111 -7.870 17.513 466 2HB LEU 63 HB1 LEU 63 173.704 -8.152 18.521 467 HG LEU 63 HG LEU 63 173.293 -10.003 16.581 468 1HD1 LEU 63 HD11 LEU 63 175.769 -9.166 15.905 469 2HD1 LEU 63 HD12 LEU 63 175.162 -10.796 15.612 470 3HD1 LEU 63 HD13 LEU 63 176.162 -10.469 17.027 471 1HD2 LEU 63 HD21 LEU 63 173.204 -10.369 18.995 472 2HD2 LEU 63 HD22 LEU 63 174.966 -10.355 19.066 473 3HD2 LEU 63 HD23 LEU 63 174.129 -11.636 18.189 474 H ILE 64 HN ILE 64 173.931 -5.392 15.199 475 HA ILE 64 HA ILE 64 174.723 -7.008 12.869 476 HB ILE 64 HB ILE 64 174.070 -4.063 12.886 477 1HG1 ILE 64 HG12 ILE 64 172.080 -5.297 13.539 478 2HG1 ILE 64 HG11 ILE 64 171.901 -4.727 11.883 479 1HG2 ILE 64 HG21 ILE 64 173.718 -4.591 10.409 480 2HG2 ILE 64 HG22 ILE 64 174.598 -6.085 10.734 481 3HG2 ILE 64 HG23 ILE 64 175.377 -4.526 11.003 482 1HD1 ILE 64 HD11 ILE 64 171.375 -6.796 11.312 483 2HD1 ILE 64 HD12 ILE 64 171.790 -7.398 12.918 484 3HD1 ILE 64 HD13 ILE 64 173.035 -7.268 11.676 485 H ASP 65 HN ASP 65 176.853 -7.384 13.009 486 HA ASP 65 HA ASP 65 178.772 -5.830 14.284 487 1HB ASP 65 HB2 ASP 65 178.937 -7.852 12.065 488 2HB ASP 65 HB1 ASP 65 180.380 -7.020 12.637 489 HA PRO 66 HA PRO 66 178.577 -2.352 11.380 490 1HB PRO 66 HB2 PRO 66 180.456 -0.864 12.751 491 2HB PRO 66 HB1 PRO 66 178.717 -0.848 13.081 492 1HG PRO 66 HG2 PRO 66 180.902 -2.328 14.478 493 2HG PRO 66 HG1 PRO 66 179.473 -1.527 15.155 494 1HD PRO 66 HD2 PRO 66 179.605 -4.197 14.866 495 2HD PRO 66 HD1 PRO 66 178.084 -3.305 14.658 496 H GLU 67 HN GLU 67 180.037 -1.404 9.901 497 HA GLU 67 HA GLU 67 181.860 -1.241 8.560 498 1HB GLU 67 HB2 GLU 67 182.993 -2.063 11.050 499 2HB GLU 67 HB1 GLU 67 183.813 -2.919 9.752 500 1HG GLU 67 HG2 GLU 67 184.849 -1.080 9.031 501 2HG GLU 67 HG1 GLU 67 183.411 -0.078 9.225 502 H GLU 68 HN GLU 68 180.345 -4.160 9.342 503 HA GLU 68 HA GLU 68 181.612 -5.435 7.016 504 1HB GLU 68 HB2 GLU 68 181.464 -7.562 7.998 505 2HB GLU 68 HB1 GLU 68 182.058 -6.509 9.279 506 1HG GLU 68 HG2 GLU 68 180.188 -6.735 10.525 507 2HG GLU 68 HG1 GLU 68 179.134 -6.918 9.121 508 H TYR 69 HN TYR 69 179.143 -3.694 7.363 509 HA TYR 69 HA TYR 69 177.415 -5.400 5.741 510 1HB TYR 69 HB2 TYR 69 176.491 -3.905 8.202 511 2HB TYR 69 HB1 TYR 69 175.384 -4.490 6.954 512 HD1 TYR 69 HD1 TYR 69 177.110 -5.281 9.950 513 HD2 TYR 69 HD2 TYR 69 175.416 -7.034 6.463 514 HE1 TYR 69 HE1 TYR 69 177.047 -7.464 11.080 515 HE2 TYR 69 HE2 TYR 69 175.347 -9.212 7.581 516 HH TYR 69 HH TYR 69 177.003 -9.873 10.439 517 H ALA 70 HN ALA 70 176.336 -4.375 4.139 518 HA ALA 70 HA ALA 70 177.080 -1.597 3.661 519 1HB ALA 70 HB1 ALA 70 176.876 -3.792 2.005 520 2HB ALA 70 HB2 ALA 70 177.016 -2.112 1.488 521 3HB ALA 70 HB3 ALA 70 175.426 -2.862 1.626 522 H GLU 71 HN GLU 71 175.768 -0.050 4.389 523 HA GLU 71 HA GLU 71 172.930 -0.643 4.754 524 1HB GLU 71 HB2 GLU 71 174.741 1.539 5.770 525 2HB GLU 71 HB1 GLU 71 172.995 1.660 5.902 526 1HG GLU 71 HG2 GLU 71 174.479 0.705 7.852 527 2HG GLU 71 HG1 GLU 71 172.866 0.083 7.527 528 H VAL 72 HN VAL 72 171.394 0.152 3.482 529 HA VAL 72 HA VAL 72 172.008 2.453 1.769 530 HB VAL 72 HB VAL 72 172.237 0.241 0.518 531 1HG1 VAL 72 HG11 VAL 72 169.296 0.167 0.223 532 2HG1 VAL 72 HG12 VAL 72 169.971 -0.500 1.709 533 3HG1 VAL 72 HG13 VAL 72 170.481 -1.137 0.146 534 1HG2 VAL 72 HG21 VAL 72 171.719 2.598 -0.413 535 2HG2 VAL 72 HG22 VAL 72 170.099 1.954 -0.687 536 3HG2 VAL 72 HG23 VAL 72 171.492 1.196 -1.460 537 H TRP 73 HN TRP 73 170.433 3.951 1.750 538 HA TRP 73 HA TRP 73 167.827 3.190 2.887 539 1HB TRP 73 HB2 TRP 73 169.531 5.629 3.209 540 2HB TRP 73 HB1 TRP 73 167.780 5.800 3.308 541 HD1 TRP 73 HD1 TRP 73 169.149 2.566 4.652 542 HE1 TRP 73 HE1 TRP 73 169.000 2.569 7.220 543 HE3 TRP 73 HE3 TRP 73 167.968 7.485 5.391 544 HZ2 TRP 73 HZ2 TRP 73 168.453 4.406 9.282 545 HZ3 TRP 73 HZ3 TRP 73 167.651 8.286 7.697 546 HH2 TRP 73 HH2 TRP 73 167.892 6.777 9.602 547 H VAL 74 HN VAL 74 166.004 3.652 1.743 548 HA VAL 74 HA VAL 74 166.326 5.219 -0.732 549 HB VAL 74 HB VAL 74 164.534 2.805 -0.497 550 1HG1 VAL 74 HG11 VAL 74 164.601 4.914 -2.302 551 2HG1 VAL 74 HG12 VAL 74 163.782 3.365 -2.514 552 3HG1 VAL 74 HG13 VAL 74 165.416 3.590 -3.137 553 1HG2 VAL 74 HG21 VAL 74 166.828 2.510 -2.255 554 2HG2 VAL 74 HG22 VAL 74 166.199 1.415 -1.026 555 3HG2 VAL 74 HG23 VAL 74 167.298 2.713 -0.568 556 H GLY 75 HN GLY 75 165.192 6.998 -0.465 557 1HA GLY 75 HA2 GLY 75 162.395 6.769 0.400 558 2HA GLY 75 HA1 GLY 75 163.437 7.869 1.285 559 H LEU 76 HN LEU 76 162.814 9.837 0.793 560 HA LEU 76 HA LEU 76 162.800 10.632 -2.033 561 1HB LEU 76 HB2 LEU 76 160.436 10.501 -0.399 562 2HB LEU 76 HB1 LEU 76 160.795 12.185 -0.726 563 HG LEU 76 HG LEU 76 160.670 11.817 -3.096 564 1HD1 LEU 76 HD11 LEU 76 160.989 9.028 -2.327 565 2HD1 LEU 76 HD12 LEU 76 161.364 9.836 -3.850 566 3HD1 LEU 76 HD13 LEU 76 159.721 9.283 -3.523 567 1HD2 LEU 76 HD21 LEU 76 158.298 10.263 -2.383 568 2HD2 LEU 76 HD22 LEU 76 158.434 11.843 -3.154 569 3HD2 LEU 76 HD23 LEU 76 158.547 11.706 -1.399 570 H VAL 77 HN VAL 77 163.098 12.985 -2.321 571 HA VAL 77 HA VAL 77 164.035 14.429 0.028 572 HB VAL 77 HB VAL 77 166.176 15.037 -1.023 573 1HG1 VAL 77 HG11 VAL 77 166.175 12.059 -0.987 574 2HG1 VAL 77 HG12 VAL 77 165.731 12.933 0.480 575 3HG1 VAL 77 HG13 VAL 77 167.310 13.196 -0.260 576 1HG2 VAL 77 HG21 VAL 77 166.230 14.794 -3.257 577 2HG2 VAL 77 HG22 VAL 77 165.044 13.489 -3.244 578 3HG2 VAL 77 HG23 VAL 77 166.737 13.144 -2.892 579 H ASN 78 HN ASN 78 165.050 16.642 -0.927 580 HA ASN 78 HA ASN 78 163.065 17.663 -2.849 581 1HB ASN 78 HB2 ASN 78 164.370 19.252 -0.634 582 2HB ASN 78 HB1 ASN 78 163.039 19.759 -1.670 583 1HD2 ASN 78 HD21 ASN 78 163.787 18.684 1.320 584 2HD2 ASN 78 HD22 ASN 78 162.271 17.993 1.777 585 H GLU 79 HN GLU 79 164.102 20.162 -3.289 586 HA GLU 79 HA GLU 79 166.219 19.584 -5.111 587 1HB GLU 79 HB2 GLU 79 164.294 21.461 -5.064 588 2HB GLU 79 HB1 GLU 79 165.626 22.404 -4.410 589 1HG GLU 79 HG2 GLU 79 166.674 21.051 -6.621 590 2HG GLU 79 HG1 GLU 79 165.088 21.638 -7.121 591 H GLN 80 HN GLN 80 166.041 20.854 -1.877 592 HA GLN 80 HA GLN 80 168.581 22.087 -1.777 593 1HB GLN 80 HB2 GLN 80 168.312 21.781 0.725 594 2HB GLN 80 HB1 GLN 80 167.030 22.674 -0.088 595 1HG GLN 80 HG2 GLN 80 165.540 20.858 0.049 596 2HG GLN 80 HG1 GLN 80 166.826 19.736 0.490 597 1HE2 GLN 80 HE21 GLN 80 168.100 20.718 2.510 598 2HE2 GLN 80 HE22 GLN 80 167.070 21.095 3.845 599 H ASP 81 HN ASP 81 167.697 18.809 -1.930 600 HA ASP 81 HA ASP 81 168.928 16.899 -1.928 601 1HB ASP 81 HB2 ASP 81 170.903 18.982 -2.303 602 2HB ASP 81 HB1 ASP 81 171.573 17.656 -1.358 603 H GLU 82 HN GLU 82 167.700 16.671 0.118 604 HA GLU 82 HA GLU 82 169.567 16.190 2.318 605 1HB GLU 82 HB2 GLU 82 167.790 18.341 2.338 606 2HB GLU 82 HB1 GLU 82 166.998 17.114 3.316 607 1HG GLU 82 HG2 GLU 82 168.221 18.227 4.895 608 2HG GLU 82 HG1 GLU 82 169.327 16.923 4.464 609 H MET 83 HN MET 83 168.950 14.497 3.715 610 HA MET 83 HA MET 83 166.670 12.894 2.755 611 1HB MET 83 HB2 MET 83 169.051 12.029 2.281 612 2HB MET 83 HB1 MET 83 169.130 11.697 4.005 613 1HG MET 83 HG2 MET 83 167.962 9.830 3.779 614 2HG MET 83 HG1 MET 83 166.694 10.658 2.877 615 1HE MET 83 HE1 MET 83 166.312 9.070 0.235 616 2HE MET 83 HE2 MET 83 166.207 8.609 1.934 617 3HE MET 83 HE3 MET 83 167.164 7.639 0.815 618 H ASP 84 HN ASP 84 165.121 13.163 4.229 619 HA ASP 84 HA ASP 84 165.778 12.527 7.019 620 1HB ASP 84 HB2 ASP 84 165.526 15.069 6.535 621 2HB ASP 84 HB1 ASP 84 163.803 14.715 6.426 622 H ASP 85 HN ASP 85 163.903 11.854 4.360 623 HA ASP 85 HA ASP 85 161.888 10.538 6.036 624 1HB ASP 85 HB2 ASP 85 161.488 12.306 3.657 625 2HB ASP 85 HB1 ASP 85 160.389 10.940 3.889 626 H VAL 86 HN VAL 86 163.017 8.604 5.891 627 HA VAL 86 HA VAL 86 163.567 7.475 3.266 628 HB VAL 86 HB VAL 86 165.310 7.010 4.778 629 1HG1 VAL 86 HG11 VAL 86 164.395 7.592 6.858 630 2HG1 VAL 86 HG12 VAL 86 164.844 5.891 7.002 631 3HG1 VAL 86 HG13 VAL 86 163.156 6.340 6.757 632 1HG2 VAL 86 HG21 VAL 86 164.050 4.975 3.562 633 2HG2 VAL 86 HG22 VAL 86 163.951 4.431 5.237 634 3HG2 VAL 86 HG23 VAL 86 165.522 4.777 4.514 635 H PHE 87 HN PHE 87 162.477 5.819 2.337 636 HA PHE 87 HA PHE 87 159.878 5.153 3.467 637 1HB PHE 87 HB2 PHE 87 161.169 4.816 0.776 638 2HB PHE 87 HB1 PHE 87 159.746 3.866 1.192 639 HD1 PHE 87 HD1 PHE 87 157.951 5.532 2.518 640 HD2 PHE 87 HD2 PHE 87 160.668 6.585 -0.581 641 HE1 PHE 87 HE1 PHE 87 156.503 7.415 1.900 642 HE2 PHE 87 HE2 PHE 87 159.229 8.477 -1.208 643 HZ PHE 87 HZ PHE 87 157.145 8.901 0.029 644 H ALA 88 HN ALA 88 162.767 3.506 2.259 645 HA ALA 88 HA ALA 88 162.242 1.296 4.103 646 1HB ALA 88 HB1 ALA 88 161.460 0.813 1.690 647 2HB ALA 88 HB2 ALA 88 162.477 -0.382 2.497 648 3HB ALA 88 HB3 ALA 88 163.181 0.720 1.312 649 H LYS 89 HN LYS 89 164.275 -0.114 4.321 650 HA LYS 89 HA LYS 89 166.745 1.254 3.628 651 1HB LYS 89 HB2 LYS 89 166.451 0.340 6.455 652 2HB LYS 89 HB1 LYS 89 167.488 1.591 5.796 653 1HG LYS 89 HG2 LYS 89 165.574 3.081 5.570 654 2HG LYS 89 HG1 LYS 89 164.508 1.815 6.182 655 1HD LYS 89 HD2 LYS 89 166.574 2.059 8.063 656 2HD LYS 89 HD1 LYS 89 166.119 3.707 7.627 657 1HE LYS 89 HE2 LYS 89 163.698 2.386 7.909 658 2HE LYS 89 HE1 LYS 89 164.694 1.742 9.214 659 1HZ LYS 89 HZ1 LYS 89 163.336 3.870 9.618 660 2HZ LYS 89 HZ2 LYS 89 164.557 4.648 8.744 661 3HZ LYS 89 HZ3 LYS 89 164.936 3.816 10.167 662 H PHE 90 HN PHE 90 168.358 -0.246 3.213 663 HA PHE 90 HA PHE 90 167.747 -3.025 3.982 664 1HB PHE 90 HB2 PHE 90 169.048 -2.249 1.377 665 2HB PHE 90 HB1 PHE 90 168.443 -3.831 1.852 666 HD1 PHE 90 HD1 PHE 90 166.401 -4.494 1.047 667 HD2 PHE 90 HD2 PHE 90 167.216 -0.334 1.417 668 HE1 PHE 90 HE1 PHE 90 164.230 -3.980 0.012 669 HE2 PHE 90 HE2 PHE 90 165.046 0.188 0.385 670 HZ PHE 90 HZ PHE 90 163.549 -1.637 -0.320 671 H LEU 91 HN LEU 91 169.372 -4.362 4.519 672 HA LEU 91 HA LEU 91 172.116 -3.313 4.562 673 1HB LEU 91 HB2 LEU 91 171.189 -5.027 6.818 674 2HB LEU 91 HB1 LEU 91 172.468 -3.830 6.782 675 HG LEU 91 HG LEU 91 169.546 -3.094 6.711 676 1HD1 LEU 91 HD11 LEU 91 171.293 -3.854 8.971 677 2HD1 LEU 91 HD12 LEU 91 169.540 -3.960 8.802 678 3HD1 LEU 91 HD13 LEU 91 170.297 -2.416 9.188 679 1HD2 LEU 91 HD21 LEU 91 171.637 -1.571 6.048 680 2HD2 LEU 91 HD22 LEU 91 171.655 -1.333 7.795 681 3HD2 LEU 91 HD23 LEU 91 170.210 -0.934 6.866 682 H ILE 92 HN ILE 92 173.470 -4.711 3.586 683 HA ILE 92 HA ILE 92 172.716 -7.557 3.575 684 HB ILE 92 HB ILE 92 173.927 -7.468 1.200 685 1HG1 ILE 92 HG12 ILE 92 172.928 -4.668 1.686 686 2HG1 ILE 92 HG11 ILE 92 174.453 -5.190 0.981 687 1HG2 ILE 92 HG21 ILE 92 171.700 -8.343 1.641 688 2HG2 ILE 92 HG22 ILE 92 171.698 -7.358 0.179 689 3HG2 ILE 92 HG23 ILE 92 171.045 -6.707 1.682 690 1HD1 ILE 92 HD11 ILE 92 173.275 -5.904 -1.030 691 2HD1 ILE 92 HD12 ILE 92 172.989 -4.198 -0.682 692 3HD1 ILE 92 HD13 ILE 92 171.745 -5.395 -0.314 693 H SER 93 HN SER 93 174.321 -9.044 3.685 694 HA SER 93 HA SER 93 176.745 -8.295 4.922 695 1HB SER 93 HB2 SER 93 177.158 -10.562 5.154 696 2HB SER 93 HB1 SER 93 175.408 -10.569 4.941 697 HG SER 93 HG SER 93 175.850 -10.931 2.665 698 H HIS 94 HN HIS 94 178.519 -7.496 4.036 699 HA HIS 94 HA HIS 94 178.887 -7.197 1.258 700 1HB HIS 94 HB2 HIS 94 180.779 -6.915 3.594 701 2HB HIS 94 HB1 HIS 94 181.274 -6.595 1.931 702 HD1 HIS 94 HD1 HIS 94 180.118 -4.558 0.742 703 HD2 HIS 94 HD2 HIS 94 179.312 -4.894 4.794 704 HE1 HIS 94 HE1 HIS 94 179.200 -2.325 1.423 705 HE2 HIS 94 HE2 HIS 94 178.876 -2.502 3.913 706 H ARG 95 HN ARG 95 179.700 -9.771 3.426 707 HA ARG 95 HA ARG 95 181.827 -10.994 2.142 708 1HB ARG 95 HB2 ARG 95 179.498 -12.343 3.518 709 2HB ARG 95 HB1 ARG 95 181.056 -13.084 3.177 710 1HG ARG 95 HG2 ARG 95 182.167 -11.683 4.724 711 2HG ARG 95 HG1 ARG 95 180.759 -10.632 4.887 712 1HD ARG 95 HD2 ARG 95 180.609 -11.906 6.801 713 2HD ARG 95 HD1 ARG 95 179.575 -12.807 5.693 714 HE ARG 95 HE ARG 95 182.309 -13.692 5.701 715 1HH1 ARG 95 HH11 ARG 95 179.195 -14.011 7.244 716 2HH1 ARG 95 HH12 ARG 95 179.520 -15.598 7.855 717 1HH2 ARG 95 HH21 ARG 95 182.739 -15.779 6.503 718 2HH2 ARG 95 HH22 ARG 95 181.533 -16.602 7.435 719 H GLU 96 HN GLU 96 181.582 -13.255 1.067 720 HA GLU 96 HA GLU 96 179.893 -12.859 -1.292 721 1HB GLU 96 HB2 GLU 96 182.521 -13.468 -1.137 722 2HB GLU 96 HB1 GLU 96 181.839 -15.086 -1.226 723 1HG GLU 96 HG2 GLU 96 181.799 -14.844 -3.425 724 2HG GLU 96 HG1 GLU 96 180.502 -13.672 -3.199 725 H GLU 97 HN GLU 97 181.009 -15.702 0.569 726 HA GLU 97 HA GLU 97 178.750 -17.263 -0.211 727 1HB GLU 97 HB2 GLU 97 181.116 -17.631 1.545 728 2HB GLU 97 HB1 GLU 97 179.719 -18.643 1.886 729 1HG GLU 97 HG2 GLU 97 179.742 -19.393 -0.470 730 2HG GLU 97 HG1 GLU 97 181.218 -18.460 -0.716 731 H ASP 98 HN ASP 98 176.821 -17.497 0.747 732 HA ASP 98 HA ASP 98 175.084 -17.184 2.186 733 1HB ASP 98 HB2 ASP 98 177.423 -17.502 3.942 734 2HB ASP 98 HB1 ASP 98 176.091 -16.616 4.679 735 H ARG 99 HN ARG 99 173.963 -15.373 1.854 736 HA ARG 99 HA ARG 99 175.136 -12.835 2.775 737 1HB ARG 99 HB2 ARG 99 173.853 -11.745 0.907 738 2HB ARG 99 HB1 ARG 99 175.193 -12.770 0.393 739 1HG ARG 99 HG2 ARG 99 173.812 -13.895 -0.915 740 2HG ARG 99 HG1 ARG 99 172.892 -14.403 0.502 741 1HD ARG 99 HD2 ARG 99 171.523 -12.399 0.358 742 2HD ARG 99 HD1 ARG 99 172.473 -11.829 -1.017 743 HE ARG 99 HE ARG 99 171.362 -14.400 -1.513 744 1HH1 ARG 99 HH11 ARG 99 170.561 -11.005 -1.407 745 2HH1 ARG 99 HH12 ARG 99 169.257 -11.150 -2.538 746 1HH2 ARG 99 HH21 ARG 99 169.647 -14.592 -2.998 747 2HH2 ARG 99 HH22 ARG 99 168.737 -13.185 -3.441 748 H GLU 100 HN GLU 100 174.043 -12.052 4.428 749 HA GLU 100 HA GLU 100 171.209 -12.723 4.745 750 1HB GLU 100 HB2 GLU 100 172.748 -11.177 6.792 751 2HB GLU 100 HB1 GLU 100 171.438 -12.326 7.018 752 1HG GLU 100 HG2 GLU 100 172.879 -14.174 6.698 753 2HG GLU 100 HG1 GLU 100 174.180 -13.144 6.099 754 H PHE 101 HN PHE 101 169.709 -11.307 4.132 755 HA PHE 101 HA PHE 101 170.421 -8.451 4.113 756 1HB PHE 101 HB2 PHE 101 169.316 -8.117 2.059 757 2HB PHE 101 HB1 PHE 101 170.236 -9.599 1.829 758 HD1 PHE 101 HD1 PHE 101 166.919 -8.129 2.098 759 HD2 PHE 101 HD2 PHE 101 169.108 -11.757 1.702 760 HE1 PHE 101 HE1 PHE 101 164.858 -9.294 1.426 761 HE2 PHE 101 HE2 PHE 101 167.051 -12.929 1.028 762 HZ PHE 101 HZ PHE 101 164.923 -11.696 0.890 763 H HIS 102 HN HIS 102 168.880 -6.989 4.767 764 HA HIS 102 HA HIS 102 166.243 -7.969 5.524 765 1HB HIS 102 HB2 HIS 102 166.706 -6.478 7.727 766 2HB HIS 102 HB1 HIS 102 166.917 -8.221 7.671 767 HD1 HIS 102 HD1 HIS 102 168.510 -5.607 9.145 768 HD2 HIS 102 HD2 HIS 102 169.899 -8.525 6.536 769 HE1 HIS 102 HE1 HIS 102 170.992 -5.729 9.529 770 HE2 HIS 102 HE2 HIS 102 171.823 -7.423 7.862 771 H VAL 103 HN VAL 103 164.846 -6.068 6.308 772 HA VAL 103 HA VAL 103 165.686 -3.510 5.226 773 HB VAL 103 HB VAL 103 164.807 -4.663 3.256 774 1HG1 VAL 103 HG11 VAL 103 162.248 -4.973 3.241 775 2HG1 VAL 103 HG12 VAL 103 162.396 -5.008 4.998 776 3HG1 VAL 103 HG13 VAL 103 163.246 -6.203 4.017 777 1HG2 VAL 103 HG21 VAL 103 164.573 -2.332 3.149 778 2HG2 VAL 103 HG22 VAL 103 163.261 -2.321 4.326 779 3HG2 VAL 103 HG23 VAL 103 162.986 -2.959 2.707 780 H ILE 104 HN ILE 104 164.610 -1.744 5.987 781 HA ILE 104 HA ILE 104 162.546 -2.247 8.038 782 HB ILE 104 HB ILE 104 164.331 0.182 7.862 783 1HG1 ILE 104 HG12 ILE 104 165.205 -1.068 10.081 784 2HG1 ILE 104 HG11 ILE 104 164.800 -2.473 9.095 785 1HG2 ILE 104 HG21 ILE 104 162.425 -0.846 9.947 786 2HG2 ILE 104 HG22 ILE 104 162.345 0.671 9.052 787 3HG2 ILE 104 HG23 ILE 104 163.609 0.423 10.257 788 1HD1 ILE 104 HD11 ILE 104 166.635 -0.235 8.297 789 2HD1 ILE 104 HD12 ILE 104 166.268 -1.669 7.339 790 3HD1 ILE 104 HD13 ILE 104 167.137 -1.826 8.866 791 H TRP 105 HN TRP 105 160.578 -1.779 7.213 792 HA TRP 105 HA TRP 105 160.331 0.369 5.241 793 1HB TRP 105 HB2 TRP 105 158.202 -1.566 6.165 794 2HB TRP 105 HB1 TRP 105 158.133 -0.512 4.757 795 HD1 TRP 105 HD1 TRP 105 159.353 -3.884 5.897 796 HE1 TRP 105 HE1 TRP 105 160.380 -5.152 3.909 797 HE3 TRP 105 HE3 TRP 105 159.532 -0.067 2.482 798 HZ2 TRP 105 HZ2 TRP 105 161.163 -4.614 1.255 799 HZ3 TRP 105 HZ3 TRP 105 160.432 -0.534 0.247 800 HH2 TRP 105 HH2 TRP 105 161.234 -2.761 -0.354 801 H LYS 106 HN LYS 106 158.860 2.082 5.472 802 HA LYS 106 HA LYS 106 158.582 3.036 8.164 803 1HB LYS 106 HB2 LYS 106 159.037 4.387 5.992 804 2HB LYS 106 HB1 LYS 106 157.294 4.317 5.774 805 1HG LYS 106 HG2 LYS 106 157.068 6.063 7.109 806 2HG LYS 106 HG1 LYS 106 157.761 5.130 8.436 807 1HD LYS 106 HD2 LYS 106 159.413 6.635 8.436 808 2HD LYS 106 HD1 LYS 106 159.970 5.854 6.955 809 1HE LYS 106 HE2 LYS 106 158.977 7.466 5.590 810 2HE LYS 106 HE1 LYS 106 157.900 8.020 6.872 811 1HZ LYS 106 HZ1 LYS 106 160.821 8.486 6.655 812 2HZ LYS 106 HZ2 LYS 106 159.918 8.849 8.039 813 3HZ LYS 106 HZ3 LYS 106 159.587 9.642 6.583 814 H LYS 107 HN LYS 107 156.586 3.704 9.147 815 HA LYS 107 HA LYS 107 154.193 2.330 8.138 816 1HB LYS 107 HB2 LYS 107 153.629 1.637 10.438 817 2HB LYS 107 HB1 LYS 107 155.121 0.902 9.868 818 1HG LYS 107 HG2 LYS 107 156.403 2.590 11.122 819 2HG LYS 107 HG1 LYS 107 154.886 3.248 11.740 820 1HD LYS 107 HD2 LYS 107 155.485 1.843 13.459 821 2HD LYS 107 HD1 LYS 107 154.472 0.771 12.490 822 1HE LYS 107 HE2 LYS 107 156.244 -0.616 12.702 823 2HE LYS 107 HE1 LYS 107 156.845 0.313 11.330 824 1HZ LYS 107 HZ1 LYS 107 157.765 0.264 14.075 825 2HZ LYS 107 HZ2 LYS 107 157.686 1.804 13.380 826 3HZ LYS 107 HZ3 LYS 107 158.618 0.596 12.652 Start of MODEL 4 1 H MET 1 HT1 MET 1 194.756 -16.356 -1.701 2 HA MET 1 HA MET 1 194.321 -15.216 0.223 3 1HB MET 1 HB2 MET 1 195.890 -17.162 0.359 4 2HB MET 1 HB1 MET 1 197.233 -16.026 0.339 5 1HG MET 1 HG2 MET 1 196.835 -15.296 2.465 6 2HG MET 1 HG1 MET 1 195.116 -15.679 2.393 7 1HE MET 1 HE1 MET 1 196.964 -16.005 4.701 8 2HE MET 1 HE2 MET 1 198.368 -16.955 4.213 9 3HE MET 1 HE3 MET 1 197.144 -17.667 5.264 10 H THR 2 HN THR 2 194.144 -12.969 -0.591 11 HA THR 2 HA THR 2 196.325 -11.324 0.505 12 HB THR 2 HB THR 2 195.842 -11.489 -2.174 13 HG1 THR 2 HG1 THR 2 196.948 -9.486 -2.271 14 1HG2 THR 2 HG21 THR 2 194.643 -9.661 -3.009 15 2HG2 THR 2 HG22 THR 2 194.452 -8.943 -1.409 16 3HG2 THR 2 HG23 THR 2 193.576 -10.416 -1.825 17 H THR 3 HN THR 3 193.363 -12.275 1.145 18 HA THR 3 HA THR 3 192.728 -10.124 2.827 19 HB THR 3 HB THR 3 192.155 -8.908 0.817 20 HG1 THR 3 HG1 THR 3 190.619 -8.238 2.073 21 1HG2 THR 3 HG21 THR 3 190.357 -9.639 -0.674 22 2HG2 THR 3 HG22 THR 3 190.318 -11.196 0.154 23 3HG2 THR 3 HG23 THR 3 191.758 -10.708 -0.741 24 H GLU 4 HN GLU 4 191.290 -10.768 4.343 25 HA GLU 4 HA GLU 4 190.263 -13.470 4.130 26 1HB GLU 4 HB2 GLU 4 190.231 -11.468 6.393 27 2HB GLU 4 HB1 GLU 4 189.571 -13.093 6.508 28 1HG GLU 4 HG2 GLU 4 192.439 -12.480 5.842 29 2HG GLU 4 HG1 GLU 4 191.848 -12.831 7.465 30 H ILE 5 HN ILE 5 188.897 -10.269 4.905 31 HA ILE 5 HA ILE 5 186.273 -11.270 4.003 32 HB ILE 5 HB ILE 5 186.598 -8.797 5.674 33 1HG1 ILE 5 HG12 ILE 5 185.935 -11.346 7.062 34 2HG1 ILE 5 HG11 ILE 5 187.627 -11.085 6.651 35 1HG2 ILE 5 HG21 ILE 5 184.358 -10.800 5.453 36 2HG2 ILE 5 HG22 ILE 5 184.452 -9.278 4.566 37 3HG2 ILE 5 HG23 ILE 5 184.323 -9.268 6.325 38 1HD1 ILE 5 HD11 ILE 5 187.875 -9.739 8.379 39 2HD1 ILE 5 HD12 ILE 5 186.217 -10.103 8.856 40 3HD1 ILE 5 HD13 ILE 5 186.552 -8.714 7.823 41 H LYS 6 HN LYS 6 185.418 -10.403 2.230 42 HA LYS 6 HA LYS 6 186.797 -8.183 0.949 43 1HB LYS 6 HB2 LYS 6 185.174 -10.430 0.075 44 2HB LYS 6 HB1 LYS 6 184.651 -8.926 -0.670 45 1HG LYS 6 HG2 LYS 6 187.453 -10.027 -0.718 46 2HG LYS 6 HG1 LYS 6 186.291 -10.089 -2.045 47 1HD LYS 6 HD2 LYS 6 186.810 -7.420 -0.893 48 2HD LYS 6 HD1 LYS 6 188.147 -8.157 -1.777 49 1HE LYS 6 HE2 LYS 6 187.077 -8.029 -3.772 50 2HE LYS 6 HE1 LYS 6 185.487 -8.291 -3.057 51 1HZ LYS 6 HZ1 LYS 6 185.448 -6.023 -2.311 52 2HZ LYS 6 HZ2 LYS 6 185.777 -6.043 -3.970 53 3HZ LYS 6 HZ3 LYS 6 187.025 -5.758 -2.866 54 H LYS 7 HN LYS 7 184.940 -6.891 -0.474 55 HA LYS 7 HA LYS 7 182.865 -5.985 1.383 56 1HB LYS 7 HB2 LYS 7 185.082 -4.325 0.239 57 2HB LYS 7 HB1 LYS 7 183.519 -3.588 0.561 58 1HG LYS 7 HG2 LYS 7 184.029 -4.934 2.893 59 2HG LYS 7 HG1 LYS 7 185.636 -4.383 2.400 60 1HD LYS 7 HD2 LYS 7 183.634 -2.311 2.062 61 2HD LYS 7 HD1 LYS 7 183.696 -2.895 3.726 62 1HE LYS 7 HE2 LYS 7 186.245 -2.629 3.499 63 2HE LYS 7 HE1 LYS 7 185.872 -1.643 2.085 64 1HZ LYS 7 HZ1 LYS 7 186.056 -0.671 4.553 65 2HZ LYS 7 HZ2 LYS 7 184.397 -0.994 4.500 66 3HZ LYS 7 HZ3 LYS 7 185.096 0.029 3.349 67 H LEU 8 HN LEU 8 181.632 -4.073 0.115 68 HA LEU 8 HA LEU 8 180.959 -5.208 -2.518 69 1HB LEU 8 HB2 LEU 8 179.354 -4.471 -0.255 70 2HB LEU 8 HB1 LEU 8 178.884 -3.507 -1.639 71 HG LEU 8 HG LEU 8 178.901 -6.521 -1.462 72 1HD1 LEU 8 HD11 LEU 8 176.631 -4.571 -1.832 73 2HD1 LEU 8 HD12 LEU 8 177.045 -5.366 -0.313 74 3HD1 LEU 8 HD13 LEU 8 176.507 -6.325 -1.692 75 1HD2 LEU 8 HD21 LEU 8 178.400 -4.666 -3.781 76 2HD2 LEU 8 HD22 LEU 8 177.819 -6.332 -3.739 77 3HD2 LEU 8 HD23 LEU 8 179.550 -6.001 -3.679 78 H ASP 9 HN ASP 9 180.852 -3.896 -4.287 79 HA ASP 9 HA ASP 9 182.251 -1.417 -4.186 80 1HB ASP 9 HB2 ASP 9 180.999 -3.096 -6.284 81 2HB ASP 9 HB1 ASP 9 181.145 -1.379 -6.650 82 HA PRO 10 HA PRO 10 179.161 1.589 -3.294 83 1HB PRO 10 HB2 PRO 10 180.085 2.961 -5.780 84 2HB PRO 10 HB1 PRO 10 179.883 3.608 -4.143 85 1HG PRO 10 HG2 PRO 10 182.308 3.051 -5.088 86 2HG PRO 10 HG1 PRO 10 181.890 2.708 -3.399 87 1HD PRO 10 HD2 PRO 10 182.181 0.834 -5.700 88 2HD PRO 10 HD1 PRO 10 182.560 0.586 -3.983 89 H ASP 11 HN ASP 11 179.456 1.349 -6.845 90 HA ASP 11 HA ASP 11 176.691 1.753 -7.300 91 1HB ASP 11 HB2 ASP 11 179.023 1.603 -8.868 92 2HB ASP 11 HB1 ASP 11 177.960 0.336 -9.474 93 H THR 12 HN THR 12 178.584 -1.059 -6.589 94 HA THR 12 HA THR 12 176.699 -2.962 -7.605 95 HB THR 12 HB THR 12 178.986 -3.306 -5.656 96 HG1 THR 12 HG1 THR 12 179.487 -2.627 -7.850 97 1HG2 THR 12 HG21 THR 12 177.709 -5.478 -7.282 98 2HG2 THR 12 HG22 THR 12 177.230 -5.129 -5.620 99 3HG2 THR 12 HG23 THR 12 178.885 -5.626 -5.976 100 H ALA 13 HN ALA 13 177.458 -1.642 -4.403 101 HA ALA 13 HA ALA 13 175.646 -3.254 -2.954 102 1HB ALA 13 HB1 ALA 13 176.335 -2.104 -1.134 103 2HB ALA 13 HB2 ALA 13 176.204 -0.539 -1.937 104 3HB ALA 13 HB3 ALA 13 177.605 -1.568 -2.234 105 H ILE 14 HN ILE 14 175.282 -0.322 -4.792 106 HA ILE 14 HA ILE 14 172.673 0.305 -3.734 107 HB ILE 14 HB ILE 14 174.005 1.390 -6.221 108 1HG1 ILE 14 HG12 ILE 14 173.862 2.800 -3.571 109 2HG1 ILE 14 HG11 ILE 14 175.171 1.673 -3.911 110 1HG2 ILE 14 HG21 ILE 14 172.453 3.292 -5.883 111 2HG2 ILE 14 HG22 ILE 14 171.673 2.383 -4.589 112 3HG2 ILE 14 HG23 ILE 14 171.629 1.775 -6.244 113 1HD1 ILE 14 HD11 ILE 14 176.223 3.127 -5.235 114 2HD1 ILE 14 HD12 ILE 14 175.193 4.336 -4.468 115 3HD1 ILE 14 HD13 ILE 14 174.731 3.640 -6.021 116 H ASP 15 HN ASP 15 173.844 -0.662 -6.960 117 HA ASP 15 HA ASP 15 171.511 -1.072 -8.280 118 1HB ASP 15 HB2 ASP 15 174.176 -2.378 -8.404 119 2HB ASP 15 HB1 ASP 15 172.858 -3.171 -9.262 120 H ILE 16 HN ILE 16 172.997 -3.327 -5.978 121 HA ILE 16 HA ILE 16 171.066 -5.380 -6.385 122 HB ILE 16 HB ILE 16 171.909 -6.212 -4.108 123 1HG1 ILE 16 HG12 ILE 16 174.419 -4.857 -4.258 124 2HG1 ILE 16 HG11 ILE 16 173.141 -3.645 -4.142 125 1HG2 ILE 16 HG21 ILE 16 173.454 -7.432 -5.210 126 2HG2 ILE 16 HG22 ILE 16 174.233 -6.016 -5.915 127 3HG2 ILE 16 HG23 ILE 16 172.742 -6.644 -6.618 128 1HD1 ILE 16 HD11 ILE 16 174.247 -5.317 -2.117 129 2HD1 ILE 16 HD12 ILE 16 172.520 -5.639 -2.272 130 3HD1 ILE 16 HD13 ILE 16 173.088 -3.997 -1.967 131 H ALA 17 HN ALA 17 171.413 -2.794 -3.971 132 HA ALA 17 HA ALA 17 169.184 -3.531 -2.404 133 1HB ALA 17 HB1 ALA 17 169.259 -0.983 -1.831 134 2HB ALA 17 HB2 ALA 17 170.774 -1.027 -2.733 135 3HB ALA 17 HB3 ALA 17 170.565 -2.048 -1.310 136 H TYR 18 HN TYR 18 169.563 -1.274 -5.109 137 HA TYR 18 HA TYR 18 167.033 -0.173 -5.211 138 1HB TYR 18 HB2 TYR 18 169.192 0.149 -6.711 139 2HB TYR 18 HB1 TYR 18 168.353 -0.979 -7.770 140 HD1 TYR 18 HD1 TYR 18 168.409 2.401 -6.417 141 HD2 TYR 18 HD2 TYR 18 166.230 -0.343 -8.829 142 HE1 TYR 18 HE1 TYR 18 167.099 4.264 -7.341 143 HE2 TYR 18 HE2 TYR 18 164.912 1.512 -9.761 144 HH TYR 18 HH TYR 18 164.254 3.862 -9.013 145 H ASP 19 HN ASP 19 168.189 -3.190 -6.670 146 HA ASP 19 HA ASP 19 165.775 -3.931 -7.900 147 1HB ASP 19 HB2 ASP 19 168.316 -4.960 -7.830 148 2HB ASP 19 HB1 ASP 19 167.417 -6.155 -6.890 149 H ILE 20 HN ILE 20 166.887 -4.143 -4.610 150 HA ILE 20 HA ILE 20 164.939 -6.062 -3.752 151 HB ILE 20 HB ILE 20 166.602 -4.131 -2.126 152 1HG1 ILE 20 HG12 ILE 20 167.032 -7.099 -2.374 153 2HG1 ILE 20 HG11 ILE 20 167.726 -5.982 -3.552 154 1HG2 ILE 20 HG21 ILE 20 164.580 -4.860 -0.938 155 2HG2 ILE 20 HG22 ILE 20 166.047 -5.509 -0.204 156 3HG2 ILE 20 HG23 ILE 20 165.036 -6.542 -1.214 157 1HD1 ILE 20 HD11 ILE 20 168.580 -6.617 -0.853 158 2HD1 ILE 20 HD12 ILE 20 168.445 -4.881 -1.134 159 3HD1 ILE 20 HD13 ILE 20 169.469 -5.867 -2.179 160 H PHE 21 HN PHE 21 165.050 -2.560 -4.019 161 HA PHE 21 HA PHE 21 162.812 -2.055 -2.346 162 1HB PHE 21 HB2 PHE 21 164.208 -0.200 -2.751 163 2HB PHE 21 HB1 PHE 21 164.223 -0.471 -4.487 164 HD1 PHE 21 HD1 PHE 21 163.609 1.768 -5.076 165 HD2 PHE 21 HD2 PHE 21 161.148 -0.529 -2.475 166 HE1 PHE 21 HE1 PHE 21 161.792 3.407 -5.358 167 HE2 PHE 21 HE2 PHE 21 159.326 1.099 -2.753 168 HZ PHE 21 HZ PHE 21 159.646 3.063 -4.197 169 H LEU 22 HN LEU 22 163.167 -2.275 -5.881 170 HA LEU 22 HA LEU 22 160.388 -1.993 -6.395 171 1HB LEU 22 HB2 LEU 22 162.684 -3.000 -8.062 172 2HB LEU 22 HB1 LEU 22 161.041 -2.896 -8.677 173 HG LEU 22 HG LEU 22 161.171 -0.671 -9.010 174 1HD1 LEU 22 HD11 LEU 22 162.184 0.939 -7.505 175 2HD1 LEU 22 HD12 LEU 22 162.899 -0.364 -6.556 176 3HD1 LEU 22 HD13 LEU 22 161.147 -0.167 -6.605 177 1HD2 LEU 22 HD21 LEU 22 163.746 0.051 -9.008 178 2HD2 LEU 22 HD22 LEU 22 163.029 -0.967 -10.258 179 3HD2 LEU 22 HD23 LEU 22 163.936 -1.702 -8.935 180 H GLU 23 HN GLU 23 162.260 -4.646 -5.318 181 HA GLU 23 HA GLU 23 160.377 -6.616 -6.347 182 1HB GLU 23 HB2 GLU 23 162.437 -7.566 -6.562 183 2HB GLU 23 HB1 GLU 23 163.111 -6.666 -5.215 184 1HG GLU 23 HG2 GLU 23 163.095 -9.016 -4.719 185 2HG GLU 23 HG1 GLU 23 161.983 -8.162 -3.653 186 H MET 24 HN MET 24 161.676 -5.591 -3.181 187 HA MET 24 HA MET 24 159.809 -7.191 -1.724 188 1HB MET 24 HB2 MET 24 161.893 -5.180 -1.024 189 2HB MET 24 HB1 MET 24 160.660 -5.546 0.173 190 1HG MET 24 HG2 MET 24 161.281 -8.011 -0.285 191 2HG MET 24 HG1 MET 24 162.754 -7.332 -0.988 192 1HE MET 24 HE1 MET 24 160.398 -7.200 2.050 193 2HE MET 24 HE2 MET 24 160.979 -5.537 2.145 194 3HE MET 24 HE3 MET 24 161.440 -6.705 3.384 195 H ALA 25 HN ALA 25 160.040 -3.721 -2.457 196 HA ALA 25 HA ALA 25 157.986 -2.732 -0.925 197 1HB ALA 25 HB1 ALA 25 158.641 -1.917 -3.753 198 2HB ALA 25 HB2 ALA 25 159.427 -1.323 -2.291 199 3HB ALA 25 HB3 ALA 25 157.727 -0.962 -2.585 200 H GLY 26 HN GLY 26 155.783 -2.054 -1.563 201 1HA GLY 26 HA2 GLY 26 153.686 -2.435 -2.451 202 2HA GLY 26 HA1 GLY 26 154.431 -3.465 -3.664 203 H GLU 27 HN GLU 27 154.834 -3.934 -0.217 204 HA GLU 27 HA GLU 27 152.844 -6.046 -0.144 205 1HB GLU 27 HB2 GLU 27 155.794 -6.549 -0.086 206 2HB GLU 27 HB1 GLU 27 154.719 -7.589 0.837 207 1HG GLU 27 HG2 GLU 27 154.544 -7.082 -2.125 208 2HG GLU 27 HG1 GLU 27 155.238 -8.513 -1.364 209 H ASN 28 HN ASN 28 155.291 -4.134 1.502 210 HA ASN 28 HA ASN 28 153.805 -4.532 4.011 211 1HB ASN 28 HB2 ASN 28 156.362 -5.422 3.588 212 2HB ASN 28 HB1 ASN 28 156.647 -3.829 4.307 213 1HD2 ASN 28 HD21 ASN 28 157.598 -5.246 5.986 214 2HD2 ASN 28 HD22 ASN 28 156.558 -5.822 7.240 215 H LEU 29 HN LEU 29 155.812 -2.372 2.071 216 HA LEU 29 HA LEU 29 155.799 -0.122 3.693 217 1HB LEU 29 HB2 LEU 29 157.049 -0.538 1.508 218 2HB LEU 29 HB1 LEU 29 155.586 -0.018 0.695 219 HG LEU 29 HG LEU 29 157.067 1.698 2.685 220 1HD1 LEU 29 HD11 LEU 29 157.939 0.966 0.127 221 2HD1 LEU 29 HD12 LEU 29 158.530 2.299 1.120 222 3HD1 LEU 29 HD13 LEU 29 157.244 2.576 -0.053 223 1HD2 LEU 29 HD21 LEU 29 154.598 1.920 1.159 224 2HD2 LEU 29 HD22 LEU 29 155.674 3.300 0.965 225 3HD2 LEU 29 HD23 LEU 29 155.144 2.811 2.576 226 H ASP 30 HN ASP 30 154.418 1.548 4.054 227 HA ASP 30 HA ASP 30 151.678 1.138 3.909 228 1HB ASP 30 HB2 ASP 30 153.438 3.430 4.559 229 2HB ASP 30 HB1 ASP 30 151.766 3.817 4.165 230 HA PRO 31 HA PRO 31 150.415 1.881 -0.270 231 1HB PRO 31 HB2 PRO 31 148.158 3.306 1.073 232 2HB PRO 31 HB1 PRO 31 148.117 2.081 -0.207 233 1HG PRO 31 HG2 PRO 31 147.535 1.425 2.302 234 2HG PRO 31 HG1 PRO 31 148.483 0.332 1.277 235 1HD PRO 31 HD2 PRO 31 149.376 2.090 3.513 236 2HD PRO 31 HD1 PRO 31 149.991 0.500 3.006 237 H ALA 32 HN ALA 32 149.745 4.644 1.912 238 HA ALA 32 HA ALA 32 149.751 6.654 0.014 239 1HB ALA 32 HB1 ALA 32 150.159 8.200 1.803 240 2HB ALA 32 HB2 ALA 32 150.836 6.923 2.813 241 3HB ALA 32 HB3 ALA 32 149.120 6.909 2.407 242 H ASP 33 HN ASP 33 152.513 5.728 2.065 243 HA ASP 33 HA ASP 33 154.442 7.331 0.921 244 1HB ASP 33 HB2 ASP 33 154.538 4.690 2.321 245 2HB ASP 33 HB1 ASP 33 156.015 5.346 1.620 246 H ILE 34 HN ILE 34 153.066 4.354 -0.281 247 HA ILE 34 HA ILE 34 155.055 3.824 -2.252 248 HB ILE 34 HB ILE 34 152.166 2.954 -2.063 249 1HG1 ILE 34 HG12 ILE 34 154.771 1.497 -1.574 250 2HG1 ILE 34 HG11 ILE 34 153.627 2.031 -0.342 251 1HG2 ILE 34 HG21 ILE 34 154.037 2.748 -4.275 252 2HG2 ILE 34 HG22 ILE 34 152.297 2.467 -4.229 253 3HG2 ILE 34 HG23 ILE 34 153.410 1.183 -3.758 254 1HD1 ILE 34 HD11 ILE 34 153.651 -0.384 -1.903 255 2HD1 ILE 34 HD12 ILE 34 152.120 0.474 -2.079 256 3HD1 ILE 34 HD13 ILE 34 152.701 0.027 -0.475 257 H LEU 35 HN LEU 35 151.887 5.411 -2.314 258 HA LEU 35 HA LEU 35 151.593 6.048 -4.950 259 1HB LEU 35 HB2 LEU 35 149.983 6.614 -3.165 260 2HB LEU 35 HB1 LEU 35 151.051 7.898 -2.629 261 HG LEU 35 HG LEU 35 150.669 8.457 -5.318 262 1HD1 LEU 35 HD11 LEU 35 148.147 8.523 -5.442 263 2HD1 LEU 35 HD12 LEU 35 148.142 7.382 -4.097 264 3HD1 LEU 35 HD13 LEU 35 148.894 6.936 -5.629 265 1HD2 LEU 35 HD21 LEU 35 150.675 9.893 -3.163 266 2HD2 LEU 35 HD22 LEU 35 148.930 9.640 -3.192 267 3HD2 LEU 35 HD23 LEU 35 149.729 10.429 -4.552 268 H LEU 36 HN LEU 36 153.203 8.179 -2.572 269 HA LEU 36 HA LEU 36 154.195 10.028 -4.415 270 1HB LEU 36 HB2 LEU 36 155.176 9.166 -1.704 271 2HB LEU 36 HB1 LEU 36 155.981 10.425 -2.620 272 HG LEU 36 HG LEU 36 153.054 10.702 -2.154 273 1HD1 LEU 36 HD11 LEU 36 155.158 10.817 -0.049 274 2HD1 LEU 36 HD12 LEU 36 153.489 10.254 0.051 275 3HD1 LEU 36 HD13 LEU 36 153.835 11.982 -0.006 276 1HD2 LEU 36 HD21 LEU 36 153.426 12.879 -2.620 277 2HD2 LEU 36 HD22 LEU 36 154.872 12.240 -3.402 278 3HD2 LEU 36 HD23 LEU 36 154.973 12.908 -1.773 279 H PHE 37 HN PHE 37 155.701 7.138 -3.059 280 HA PHE 37 HA PHE 37 158.201 7.220 -4.139 281 1HB PHE 37 HB2 PHE 37 156.634 5.337 -2.828 282 2HB PHE 37 HB1 PHE 37 157.071 4.547 -4.338 283 HD1 PHE 37 HD1 PHE 37 157.888 3.773 -1.501 284 HD2 PHE 37 HD2 PHE 37 159.793 6.108 -4.505 285 HE1 PHE 37 HE1 PHE 37 160.084 3.181 -0.563 286 HE2 PHE 37 HE2 PHE 37 161.993 5.522 -3.571 287 HZ PHE 37 HZ PHE 37 162.139 4.052 -1.601 288 H ASN 38 HN ASN 38 155.339 5.770 -5.740 289 HA ASN 38 HA ASN 38 156.865 5.315 -8.141 290 1HB ASN 38 HB2 ASN 38 154.461 4.767 -9.050 291 2HB ASN 38 HB1 ASN 38 155.289 3.657 -7.968 292 1HD2 ASN 38 HD21 ASN 38 154.064 2.862 -6.456 293 2HD2 ASN 38 HD22 ASN 38 152.705 3.645 -5.714 294 H LEU 39 HN LEU 39 154.361 7.624 -7.138 295 HA LEU 39 HA LEU 39 154.181 8.837 -9.709 296 1HB LEU 39 HB2 LEU 39 152.479 9.982 -8.825 297 2HB LEU 39 HB1 LEU 39 152.616 8.805 -7.535 298 HG LEU 39 HG LEU 39 154.316 10.660 -6.613 299 1HD1 LEU 39 HD11 LEU 39 152.191 12.391 -7.749 300 2HD1 LEU 39 HD12 LEU 39 153.566 11.942 -8.762 301 3HD1 LEU 39 HD13 LEU 39 153.830 12.797 -7.239 302 1HD2 LEU 39 HD21 LEU 39 152.243 9.591 -5.604 303 2HD2 LEU 39 HD22 LEU 39 151.356 10.977 -6.243 304 3HD2 LEU 39 HD23 LEU 39 152.648 11.221 -5.066 305 H GLN 40 HN GLN 40 156.566 8.899 -7.363 306 HA GLN 40 HA GLN 40 157.686 11.374 -8.492 307 1HB GLN 40 HB2 GLN 40 158.124 10.455 -5.648 308 2HB GLN 40 HB1 GLN 40 158.651 11.965 -6.373 309 1HG GLN 40 HG2 GLN 40 155.801 11.173 -5.864 310 2HG GLN 40 HG1 GLN 40 156.772 12.252 -4.867 311 1HE2 GLN 40 HE21 GLN 40 155.291 13.953 -5.192 312 2HE2 GLN 40 HE22 GLN 40 155.218 14.812 -6.689 313 H PHE 41 HN PHE 41 160.024 10.628 -6.525 314 HA PHE 41 HA PHE 41 161.956 9.441 -6.553 315 1HB PHE 41 HB2 PHE 41 160.313 7.470 -6.820 316 2HB PHE 41 HB1 PHE 41 160.787 7.493 -8.522 317 HD1 PHE 41 HD1 PHE 41 161.455 6.026 -5.455 318 HD2 PHE 41 HD2 PHE 41 163.443 7.652 -8.846 319 HE1 PHE 41 HE1 PHE 41 163.459 4.713 -4.903 320 HE2 PHE 41 HE2 PHE 41 165.451 6.346 -8.301 321 HZ PHE 41 HZ PHE 41 165.463 4.869 -6.326 322 H GLU 42 HN GLU 42 160.519 9.322 -9.817 323 HA GLU 42 HA GLU 42 162.823 9.350 -11.314 324 1HB GLU 42 HB2 GLU 42 160.630 8.996 -12.289 325 2HB GLU 42 HB1 GLU 42 160.171 10.655 -11.933 326 1HG GLU 42 HG2 GLU 42 161.871 11.466 -13.478 327 2HG GLU 42 HG1 GLU 42 162.349 9.805 -13.828 328 H GLU 43 HN GLU 43 161.134 12.130 -9.904 329 HA GLU 43 HA GLU 43 163.506 13.748 -10.537 330 1HB GLU 43 HB2 GLU 43 160.846 14.116 -11.553 331 2HB GLU 43 HB1 GLU 43 161.286 15.494 -10.553 332 1HG GLU 43 HG2 GLU 43 163.341 14.604 -12.458 333 2HG GLU 43 HG1 GLU 43 161.871 15.269 -13.169 334 H ARG 44 HN ARG 44 162.579 12.396 -8.060 335 HA ARG 44 HA ARG 44 162.568 14.790 -6.354 336 1HB ARG 44 HB2 ARG 44 160.716 12.460 -6.286 337 2HB ARG 44 HB1 ARG 44 161.199 13.178 -4.754 338 1HG ARG 44 HG2 ARG 44 159.264 14.321 -5.242 339 2HG ARG 44 HG1 ARG 44 160.503 15.411 -5.867 340 1HD ARG 44 HD2 ARG 44 160.069 13.882 -8.042 341 2HD ARG 44 HD1 ARG 44 158.474 13.821 -7.297 342 HE ARG 44 HE ARG 44 159.252 16.479 -7.301 343 1HH1 ARG 44 HH11 ARG 44 158.586 13.991 -9.657 344 2HH1 ARG 44 HH12 ARG 44 158.048 15.108 -10.866 345 1HH2 ARG 44 HH21 ARG 44 158.544 17.947 -8.890 346 2HH2 ARG 44 HH22 ARG 44 158.024 17.353 -10.431 347 H GLY 45 HN GLY 45 164.176 12.011 -7.197 348 1HA GLY 45 HA2 GLY 45 166.353 11.981 -5.846 349 2HA GLY 45 HA1 GLY 45 165.286 11.630 -4.497 350 H GLY 46 HN GLY 46 167.365 9.924 -5.190 351 1HA GLY 46 HA2 GLY 46 165.868 7.619 -6.247 352 2HA GLY 46 HA1 GLY 46 167.556 7.894 -6.636 353 H VAL 47 HN VAL 47 168.982 6.766 -5.477 354 HA VAL 47 HA VAL 47 168.262 6.013 -2.731 355 HB VAL 47 HB VAL 47 169.559 4.194 -4.768 356 1HG1 VAL 47 HG11 VAL 47 169.667 2.533 -3.131 357 2HG1 VAL 47 HG12 VAL 47 168.572 3.395 -2.054 358 3HG1 VAL 47 HG13 VAL 47 170.213 3.987 -2.297 359 1HG2 VAL 47 HG21 VAL 47 166.765 4.336 -3.674 360 2HG2 VAL 47 HG22 VAL 47 167.424 2.857 -4.376 361 3HG2 VAL 47 HG23 VAL 47 167.290 4.316 -5.358 362 H GLU 48 HN GLU 48 169.879 6.177 -1.265 363 HA GLU 48 HA GLU 48 172.567 6.841 -2.275 364 1HB GLU 48 HB2 GLU 48 171.171 8.746 -1.239 365 2HB GLU 48 HB1 GLU 48 171.449 7.935 0.296 366 1HG GLU 48 HG2 GLU 48 173.039 9.752 -0.110 367 2HG GLU 48 HG1 GLU 48 173.832 8.186 0.047 368 H PHE 49 HN PHE 49 174.221 5.687 -1.453 369 HA PHE 49 HA PHE 49 173.597 3.596 0.463 370 1HB PHE 49 HB2 PHE 49 174.858 3.001 -1.540 371 2HB PHE 49 HB1 PHE 49 176.106 4.171 -1.126 372 HD1 PHE 49 HD1 PHE 49 177.379 3.818 1.054 373 HD2 PHE 49 HD2 PHE 49 174.982 0.814 -0.771 374 HE1 PHE 49 HE1 PHE 49 178.569 2.093 2.341 375 HE2 PHE 49 HE2 PHE 49 176.167 -0.917 0.514 376 HZ PHE 49 HZ PHE 49 177.961 -0.275 2.073 377 H VAL 50 HN VAL 50 173.759 4.028 2.559 378 HA VAL 50 HA VAL 50 175.842 5.903 3.455 379 HB VAL 50 HB VAL 50 174.553 6.177 5.521 380 1HG1 VAL 50 HG11 VAL 50 173.245 6.724 2.889 381 2HG1 VAL 50 HG12 VAL 50 174.035 7.841 4.002 382 3HG1 VAL 50 HG13 VAL 50 172.446 7.182 4.393 383 1HG2 VAL 50 HG21 VAL 50 172.901 4.032 4.310 384 2HG2 VAL 50 HG22 VAL 50 172.072 5.282 5.235 385 3HG2 VAL 50 HG23 VAL 50 173.336 4.316 5.995 386 H GLU 51 HN GLU 51 176.264 5.309 6.001 387 HA GLU 51 HA GLU 51 177.399 2.614 5.864 388 1HB GLU 51 HB2 GLU 51 178.621 4.906 6.517 389 2HB GLU 51 HB1 GLU 51 178.052 4.441 8.115 390 1HG GLU 51 HG2 GLU 51 179.313 2.473 8.118 391 2HG GLU 51 HG1 GLU 51 179.577 2.538 6.376 392 H THR 52 HN THR 52 177.555 1.492 8.063 393 HA THR 52 HA THR 52 174.911 0.991 8.978 394 HB THR 52 HB THR 52 177.593 0.073 10.030 395 HG1 THR 52 HG1 THR 52 175.688 -1.054 8.276 396 1HG2 THR 52 HG21 THR 52 176.427 -1.705 11.181 397 2HG2 THR 52 HG22 THR 52 174.872 -1.039 10.678 398 3HG2 THR 52 HG23 THR 52 175.904 -0.133 11.787 399 H ALA 53 HN ALA 53 174.165 1.139 11.180 400 HA ALA 53 HA ALA 53 174.746 3.707 12.342 401 1HB ALA 53 HB1 ALA 53 172.720 3.510 13.283 402 2HB ALA 53 HB2 ALA 53 173.081 1.909 13.933 403 3HB ALA 53 HB3 ALA 53 172.527 2.081 12.266 404 H ASP 54 HN ASP 54 174.315 2.945 15.105 405 HA ASP 54 HA ASP 54 177.032 2.107 15.720 406 1HB ASP 54 HB2 ASP 54 174.916 3.623 17.094 407 2HB ASP 54 HB1 ASP 54 175.819 2.535 18.143 408 H ASP 55 HN ASP 55 173.692 1.113 16.306 409 HA ASP 55 HA ASP 55 174.117 -1.605 16.196 410 1HB ASP 55 HB2 ASP 55 175.235 -0.620 18.561 411 2HB ASP 55 HB1 ASP 55 173.692 -1.305 19.057 412 H TRP 56 HN TRP 56 172.146 -2.497 15.932 413 HA TRP 56 HA TRP 56 169.917 -1.763 17.503 414 1HB TRP 56 HB2 TRP 56 168.503 -1.076 15.520 415 2HB TRP 56 HB1 TRP 56 169.668 0.112 16.091 416 HD1 TRP 56 HD1 TRP 56 172.220 -0.441 14.515 417 HE1 TRP 56 HE1 TRP 56 172.284 -0.255 11.946 418 HE3 TRP 56 HE3 TRP 56 167.249 -1.067 13.533 419 HZ2 TRP 56 HZ2 TRP 56 170.452 -0.346 9.785 420 HZ3 TRP 56 HZ3 TRP 56 166.479 -1.010 11.201 421 HH2 TRP 56 HH2 TRP 56 168.042 -0.666 9.361 422 H GLU 57 HN GLU 57 168.182 -3.121 17.208 423 HA GLU 57 HA GLU 57 167.965 -5.094 15.216 424 1HB GLU 57 HB2 GLU 57 168.454 -7.068 16.712 425 2HB GLU 57 HB1 GLU 57 169.863 -6.157 16.184 426 1HG GLU 57 HG2 GLU 57 170.455 -6.172 18.327 427 2HG GLU 57 HG1 GLU 57 169.231 -4.920 18.533 428 H GLU 58 HN GLU 58 166.365 -3.173 16.674 429 HA GLU 58 HA GLU 58 164.440 -4.959 18.007 430 1HB GLU 58 HB2 GLU 58 164.922 -1.999 18.366 431 2HB GLU 58 HB1 GLU 58 163.574 -2.867 19.086 432 1HG GLU 58 HG2 GLU 58 166.190 -4.061 19.617 433 2HG GLU 58 HG1 GLU 58 165.981 -2.437 20.272 434 H GLU 59 HN GLU 59 164.925 -2.686 15.429 435 HA GLU 59 HA GLU 59 162.065 -2.555 14.875 436 1HB GLU 59 HB2 GLU 59 162.935 -1.115 12.886 437 2HB GLU 59 HB1 GLU 59 162.933 -0.445 14.509 438 1HG GLU 59 HG2 GLU 59 165.320 -1.000 14.716 439 2HG GLU 59 HG1 GLU 59 165.303 -1.601 13.058 440 H ILE 60 HN ILE 60 165.051 -3.466 13.104 441 HA ILE 60 HA ILE 60 163.563 -4.753 11.026 442 HB ILE 60 HB ILE 60 165.974 -5.736 10.569 443 1HG1 ILE 60 HG12 ILE 60 166.776 -3.213 11.983 444 2HG1 ILE 60 HG11 ILE 60 166.676 -4.730 12.878 445 1HG2 ILE 60 HG21 ILE 60 165.243 -2.842 10.162 446 2HG2 ILE 60 HG22 ILE 60 164.816 -4.192 9.109 447 3HG2 ILE 60 HG23 ILE 60 166.504 -3.710 9.285 448 1HD1 ILE 60 HD11 ILE 60 168.310 -4.412 10.383 449 2HD1 ILE 60 HD12 ILE 60 168.366 -5.717 11.569 450 3HD1 ILE 60 HD13 ILE 60 168.938 -4.105 12.002 451 H GLY 61 HN GLY 61 165.489 -5.860 13.803 452 1HA GLY 61 HA2 GLY 61 164.788 -7.767 15.081 453 2HA GLY 61 HA1 GLY 61 164.080 -8.436 13.620 454 H VAL 62 HN VAL 62 167.326 -7.218 14.501 455 HA VAL 62 HA VAL 62 168.627 -9.659 14.594 456 HB VAL 62 HB VAL 62 167.971 -9.914 12.231 457 1HG1 VAL 62 HG11 VAL 62 167.892 -7.698 11.423 458 2HG1 VAL 62 HG12 VAL 62 169.199 -8.498 10.550 459 3HG1 VAL 62 HG13 VAL 62 169.569 -7.398 11.877 460 1HG2 VAL 62 HG21 VAL 62 170.924 -9.583 12.721 461 2HG2 VAL 62 HG22 VAL 62 170.216 -10.457 11.362 462 3HG2 VAL 62 HG23 VAL 62 169.961 -11.033 13.010 463 H LEU 63 HN LEU 63 170.727 -9.428 15.186 464 HA LEU 63 HA LEU 63 171.650 -6.948 16.059 465 1HB LEU 63 HB2 LEU 63 173.168 -9.488 15.478 466 2HB LEU 63 HB1 LEU 63 173.860 -8.101 16.296 467 HG LEU 63 HG LEU 63 171.364 -9.197 17.454 468 1HD1 LEU 63 HD11 LEU 63 172.644 -11.221 16.839 469 2HD1 LEU 63 HD12 LEU 63 172.483 -11.006 18.582 470 3HD1 LEU 63 HD13 LEU 63 174.004 -10.612 17.781 471 1HD2 LEU 63 HD21 LEU 63 172.165 -8.305 19.391 472 2HD2 LEU 63 HD22 LEU 63 173.003 -7.270 18.235 473 3HD2 LEU 63 HD23 LEU 63 173.849 -8.629 18.976 474 H ILE 64 HN ILE 64 172.973 -5.412 15.233 475 HA ILE 64 HA ILE 64 173.698 -5.685 12.392 476 HB ILE 64 HB ILE 64 173.186 -3.178 13.992 477 1HG1 ILE 64 HG12 ILE 64 171.120 -4.320 13.603 478 2HG1 ILE 64 HG11 ILE 64 171.204 -2.983 12.465 479 1HG2 ILE 64 HG21 ILE 64 174.816 -2.738 12.281 480 2HG2 ILE 64 HG22 ILE 64 173.268 -2.034 11.809 481 3HG2 ILE 64 HG23 ILE 64 173.814 -3.542 11.071 482 1HD1 ILE 64 HD11 ILE 64 172.281 -4.959 10.992 483 2HD1 ILE 64 HD12 ILE 64 170.569 -4.551 11.010 484 3HD1 ILE 64 HD13 ILE 64 171.165 -5.875 12.004 485 H ASP 65 HN ASP 65 175.776 -5.646 11.839 486 HA ASP 65 HA ASP 65 177.752 -4.961 13.898 487 1HB ASP 65 HB2 ASP 65 177.687 -6.904 11.656 488 2HB ASP 65 HB1 ASP 65 179.243 -6.165 12.020 489 HA PRO 66 HA PRO 66 178.367 -1.248 11.402 490 1HB PRO 66 HB2 PRO 66 180.337 -0.208 12.998 491 2HB PRO 66 HB1 PRO 66 178.605 -0.020 13.314 492 1HG PRO 66 HG2 PRO 66 180.555 -1.949 14.508 493 2HG PRO 66 HG1 PRO 66 179.250 -1.041 15.293 494 1HD PRO 66 HD2 PRO 66 178.998 -3.646 14.653 495 2HD PRO 66 HD1 PRO 66 177.624 -2.524 14.591 496 H GLU 67 HN GLU 67 180.035 -0.429 10.084 497 HA GLU 67 HA GLU 67 181.720 -0.630 8.592 498 1HB GLU 67 HB2 GLU 67 183.907 -0.962 9.445 499 2HB GLU 67 HB1 GLU 67 182.989 -0.166 10.713 500 1HG GLU 67 HG2 GLU 67 182.984 -2.019 12.064 501 2HG GLU 67 HG1 GLU 67 183.206 -3.137 10.720 502 H GLU 68 HN GLU 68 179.989 -3.149 9.393 503 HA GLU 68 HA GLU 68 181.471 -4.977 7.641 504 1HB GLU 68 HB2 GLU 68 179.925 -5.750 10.119 505 2HB GLU 68 HB1 GLU 68 180.721 -6.868 9.012 506 1HG GLU 68 HG2 GLU 68 182.877 -5.687 9.575 507 2HG GLU 68 HG1 GLU 68 181.983 -4.870 10.862 508 H TYR 69 HN TYR 69 178.688 -3.230 8.170 509 HA TYR 69 HA TYR 69 177.113 -4.984 6.400 510 1HB TYR 69 HB2 TYR 69 176.333 -3.531 8.906 511 2HB TYR 69 HB1 TYR 69 175.134 -3.725 7.626 512 HD1 TYR 69 HD1 TYR 69 177.744 -6.178 8.699 513 HD2 TYR 69 HD2 TYR 69 173.607 -5.197 8.585 514 HE1 TYR 69 HE1 TYR 69 177.204 -8.419 9.499 515 HE2 TYR 69 HE2 TYR 69 173.053 -7.439 9.415 516 HH TYR 69 HH TYR 69 174.484 -9.273 10.878 517 H ALA 70 HN ALA 70 175.969 -4.002 4.766 518 HA ALA 70 HA ALA 70 176.737 -1.238 4.203 519 1HB ALA 70 HB1 ALA 70 175.223 -2.390 2.079 520 2HB ALA 70 HB2 ALA 70 176.441 -3.552 2.603 521 3HB ALA 70 HB3 ALA 70 176.926 -1.934 2.102 522 H GLU 71 HN GLU 71 175.345 0.394 4.359 523 HA GLU 71 HA GLU 71 172.504 -0.258 4.793 524 1HB GLU 71 HB2 GLU 71 174.361 1.423 6.232 525 2HB GLU 71 HB1 GLU 71 173.018 2.388 5.647 526 1HG GLU 71 HG2 GLU 71 172.965 0.067 7.547 527 2HG GLU 71 HG1 GLU 71 172.402 1.719 7.793 528 H VAL 72 HN VAL 72 171.223 0.223 3.162 529 HA VAL 72 HA VAL 72 171.906 2.540 1.476 530 HB VAL 72 HB VAL 72 171.102 -0.205 0.729 531 1HG1 VAL 72 HG11 VAL 72 169.093 0.677 -0.053 532 2HG1 VAL 72 HG12 VAL 72 170.146 0.760 -1.465 533 3HG1 VAL 72 HG13 VAL 72 169.833 2.211 -0.514 534 1HG2 VAL 72 HG21 VAL 72 172.742 2.020 -0.414 535 2HG2 VAL 72 HG22 VAL 72 172.317 0.610 -1.386 536 3HG2 VAL 72 HG23 VAL 72 173.252 0.410 0.097 537 H TRP 73 HN TRP 73 170.439 4.093 1.331 538 HA TRP 73 HA TRP 73 167.802 3.596 2.533 539 1HB TRP 73 HB2 TRP 73 169.592 5.977 2.400 540 2HB TRP 73 HB1 TRP 73 167.852 6.256 2.429 541 HD1 TRP 73 HD1 TRP 73 168.794 3.224 4.348 542 HE1 TRP 73 HE1 TRP 73 168.708 3.703 6.869 543 HE3 TRP 73 HE3 TRP 73 168.419 8.321 4.198 544 HZ2 TRP 73 HZ2 TRP 73 168.494 5.929 8.573 545 HZ3 TRP 73 HZ3 TRP 73 168.277 9.552 6.325 546 HH2 TRP 73 HH2 TRP 73 168.317 8.380 8.468 547 H VAL 74 HN VAL 74 165.910 4.174 1.466 548 HA VAL 74 HA VAL 74 166.189 5.201 -1.257 549 HB VAL 74 HB VAL 74 164.470 2.812 -0.589 550 1HG1 VAL 74 HG11 VAL 74 164.228 4.722 -2.585 551 2HG1 VAL 74 HG12 VAL 74 163.479 3.119 -2.559 552 3HG1 VAL 74 HG13 VAL 74 165.021 3.357 -3.380 553 1HG2 VAL 74 HG21 VAL 74 167.184 2.773 -0.907 554 2HG2 VAL 74 HG22 VAL 74 166.621 2.498 -2.553 555 3HG2 VAL 74 HG23 VAL 74 166.108 1.424 -1.252 556 H GLY 75 HN GLY 75 165.238 7.064 -0.963 557 1HA GLY 75 HA2 GLY 75 162.378 7.086 -0.362 558 2HA GLY 75 HA1 GLY 75 163.395 8.009 0.730 559 H LEU 76 HN LEU 76 163.437 10.065 0.323 560 HA LEU 76 HA LEU 76 163.630 11.014 -2.428 561 1HB LEU 76 HB2 LEU 76 161.437 11.787 -0.514 562 2HB LEU 76 HB1 LEU 76 161.980 12.899 -1.750 563 HG LEU 76 HG LEU 76 160.127 11.904 -2.714 564 1HD1 LEU 76 HD11 LEU 76 160.956 11.099 -4.632 565 2HD1 LEU 76 HD12 LEU 76 161.910 9.856 -3.831 566 3HD1 LEU 76 HD13 LEU 76 162.509 11.514 -3.910 567 1HD2 LEU 76 HD21 LEU 76 160.175 10.066 -0.854 568 2HD2 LEU 76 HD22 LEU 76 160.942 9.104 -2.117 569 3HD2 LEU 76 HD23 LEU 76 159.335 9.783 -2.380 570 H VAL 77 HN VAL 77 164.677 13.016 -2.648 571 HA VAL 77 HA VAL 77 165.947 13.987 -0.170 572 HB VAL 77 HB VAL 77 167.762 14.840 -1.754 573 1HG1 VAL 77 HG11 VAL 77 168.749 12.467 -1.938 574 2HG1 VAL 77 HG12 VAL 77 167.286 11.959 -1.095 575 3HG1 VAL 77 HG13 VAL 77 168.387 13.110 -0.337 576 1HG2 VAL 77 HG21 VAL 77 167.950 14.007 -3.908 577 2HG2 VAL 77 HG22 VAL 77 166.220 14.320 -3.773 578 3HG2 VAL 77 HG23 VAL 77 166.835 12.676 -3.600 579 H ASN 78 HN ASN 78 166.928 16.303 -0.659 580 HA ASN 78 HA ASN 78 164.678 17.929 -1.630 581 1HB ASN 78 HB2 ASN 78 166.901 18.835 0.205 582 2HB ASN 78 HB1 ASN 78 165.375 19.653 -0.122 583 1HD2 ASN 78 HD21 ASN 78 166.977 17.202 1.678 584 2HD2 ASN 78 HD22 ASN 78 165.645 16.768 2.688 585 H GLU 79 HN GLU 79 165.975 20.367 -1.854 586 HA GLU 79 HA GLU 79 167.030 20.222 -4.453 587 1HB GLU 79 HB2 GLU 79 167.687 22.624 -4.040 588 2HB GLU 79 HB1 GLU 79 165.989 22.248 -3.780 589 1HG GLU 79 HG2 GLU 79 167.505 21.921 -1.351 590 2HG GLU 79 HG1 GLU 79 167.721 23.535 -2.028 591 H GLN 80 HN GLN 80 168.526 19.878 -1.364 592 HA GLN 80 HA GLN 80 171.177 20.498 -2.287 593 1HB GLN 80 HB2 GLN 80 171.680 19.288 0.035 594 2HB GLN 80 HB1 GLN 80 171.131 20.955 -0.067 595 1HG GLN 80 HG2 GLN 80 168.973 20.422 0.614 596 2HG GLN 80 HG1 GLN 80 169.179 18.709 0.257 597 1HE2 GLN 80 HE21 GLN 80 168.598 20.521 2.719 598 2HE2 GLN 80 HE22 GLN 80 169.580 19.811 3.951 599 H ASP 81 HN ASP 81 170.255 17.518 -0.592 600 HA ASP 81 HA ASP 81 170.539 15.687 -2.635 601 1HB ASP 81 HB2 ASP 81 172.908 14.861 -2.112 602 2HB ASP 81 HB1 ASP 81 172.767 16.321 -3.086 603 H GLU 82 HN GLU 82 171.220 16.431 0.727 604 HA GLU 82 HA GLU 82 171.356 13.866 1.788 605 1HB GLU 82 HB2 GLU 82 170.490 16.513 2.886 606 2HB GLU 82 HB1 GLU 82 170.272 15.063 3.856 607 1HG GLU 82 HG2 GLU 82 172.699 14.594 3.586 608 2HG GLU 82 HG1 GLU 82 172.860 16.153 2.778 609 H MET 83 HN MET 83 169.920 12.301 2.212 610 HA MET 83 HA MET 83 167.192 12.670 1.281 611 1HB MET 83 HB2 MET 83 168.716 10.644 0.781 612 2HB MET 83 HB1 MET 83 168.313 10.119 2.410 613 1HG MET 83 HG2 MET 83 165.902 10.256 1.764 614 2HG MET 83 HG1 MET 83 166.429 10.546 0.108 615 1HE MET 83 HE1 MET 83 168.401 7.383 -0.753 616 2HE MET 83 HE2 MET 83 168.364 9.144 -0.830 617 3HE MET 83 HE3 MET 83 167.079 8.201 -1.586 618 H ASP 84 HN ASP 84 166.570 14.107 3.024 619 HA ASP 84 HA ASP 84 166.507 13.142 5.726 620 1HB ASP 84 HB2 ASP 84 164.751 15.385 4.792 621 2HB ASP 84 HB1 ASP 84 165.606 15.199 6.319 622 H ASP 85 HN ASP 85 164.705 12.372 3.042 623 HA ASP 85 HA ASP 85 162.414 11.552 4.696 624 1HB ASP 85 HB2 ASP 85 162.524 12.764 1.967 625 2HB ASP 85 HB1 ASP 85 161.259 11.576 2.305 626 H VAL 86 HN VAL 86 163.514 9.591 5.119 627 HA VAL 86 HA VAL 86 164.113 7.830 2.884 628 HB VAL 86 HB VAL 86 165.738 7.726 4.589 629 1HG1 VAL 86 HG11 VAL 86 164.719 8.752 6.424 630 2HG1 VAL 86 HG12 VAL 86 165.069 7.109 6.966 631 3HG1 VAL 86 HG13 VAL 86 163.428 7.551 6.491 632 1HG2 VAL 86 HG21 VAL 86 163.934 5.338 4.980 633 2HG2 VAL 86 HG22 VAL 86 165.643 5.419 5.410 634 3HG2 VAL 86 HG23 VAL 86 165.152 5.525 3.718 635 H PHE 87 HN PHE 87 162.781 6.329 2.126 636 HA PHE 87 HA PHE 87 160.223 5.903 3.444 637 1HB PHE 87 HB2 PHE 87 161.319 5.427 0.720 638 2HB PHE 87 HB1 PHE 87 160.040 4.351 1.263 639 HD1 PHE 87 HD1 PHE 87 158.475 6.348 2.899 640 HD2 PHE 87 HD2 PHE 87 160.220 6.587 -0.974 641 HE1 PHE 87 HE1 PHE 87 156.804 8.026 2.253 642 HE2 PHE 87 HE2 PHE 87 158.549 8.266 -1.625 643 HZ PHE 87 HZ PHE 87 156.840 8.993 -0.015 644 H ALA 88 HN ALA 88 163.187 4.212 2.699 645 HA ALA 88 HA ALA 88 162.588 2.186 4.637 646 1HB ALA 88 HB1 ALA 88 162.801 1.400 1.728 647 2HB ALA 88 HB2 ALA 88 161.365 1.270 2.747 648 3HB ALA 88 HB3 ALA 88 162.783 0.279 3.092 649 H LYS 89 HN LYS 89 164.452 0.978 5.254 650 HA LYS 89 HA LYS 89 166.959 1.970 4.078 651 1HB LYS 89 HB2 LYS 89 166.915 0.751 6.800 652 2HB LYS 89 HB1 LYS 89 167.962 2.003 6.154 653 1HG LYS 89 HG2 LYS 89 166.532 3.682 6.708 654 2HG LYS 89 HG1 LYS 89 165.097 2.676 6.523 655 1HD LYS 89 HD2 LYS 89 165.182 2.945 8.813 656 2HD LYS 89 HD1 LYS 89 166.046 1.425 8.597 657 1HE LYS 89 HE2 LYS 89 167.560 2.430 9.922 658 2HE LYS 89 HE1 LYS 89 168.097 3.106 8.388 659 1HZ LYS 89 HZ1 LYS 89 166.748 5.072 8.837 660 2HZ LYS 89 HZ2 LYS 89 167.885 4.822 10.064 661 3HZ LYS 89 HZ3 LYS 89 166.263 4.418 10.321 662 H PHE 90 HN PHE 90 168.508 0.450 3.513 663 HA PHE 90 HA PHE 90 167.613 -2.349 3.696 664 1HB PHE 90 HB2 PHE 90 169.192 -1.018 1.487 665 2HB PHE 90 HB1 PHE 90 168.781 -2.730 1.552 666 HD1 PHE 90 HD1 PHE 90 167.027 0.551 1.890 667 HD2 PHE 90 HD2 PHE 90 166.997 -3.384 0.269 668 HE1 PHE 90 HE1 PHE 90 164.873 1.022 0.807 669 HE2 PHE 90 HE2 PHE 90 164.843 -2.917 -0.827 670 HZ PHE 90 HZ PHE 90 163.777 -0.713 -0.555 671 H LEU 91 HN LEU 91 169.036 -3.918 4.243 672 HA LEU 91 HA LEU 91 171.752 -3.067 4.998 673 1HB LEU 91 HB2 LEU 91 169.747 -4.714 6.498 674 2HB LEU 91 HB1 LEU 91 171.463 -4.919 6.787 675 HG LEU 91 HG LEU 91 169.899 -2.363 7.165 676 1HD1 LEU 91 HD11 LEU 91 169.352 -3.322 9.107 677 2HD1 LEU 91 HD12 LEU 91 171.046 -3.113 9.558 678 3HD1 LEU 91 HD13 LEU 91 170.500 -4.639 8.873 679 1HD2 LEU 91 HD21 LEU 91 172.815 -3.025 7.523 680 2HD2 LEU 91 HD22 LEU 91 172.040 -1.628 8.270 681 3HD2 LEU 91 HD23 LEU 91 172.102 -1.767 6.513 682 H ILE 92 HN ILE 92 173.354 -4.753 4.969 683 HA ILE 92 HA ILE 92 172.732 -7.322 3.867 684 HB ILE 92 HB ILE 92 174.461 -6.764 1.879 685 1HG1 ILE 92 HG12 ILE 92 173.030 -4.189 2.508 686 2HG1 ILE 92 HG11 ILE 92 174.732 -4.450 2.145 687 1HG2 ILE 92 HG21 ILE 92 171.524 -6.192 1.559 688 2HG2 ILE 92 HG22 ILE 92 172.151 -7.814 1.849 689 3HG2 ILE 92 HG23 ILE 92 172.632 -6.928 0.403 690 1HD1 ILE 92 HD11 ILE 92 173.554 -3.319 0.330 691 2HD1 ILE 92 HD12 ILE 92 172.470 -4.702 0.176 692 3HD1 ILE 92 HD13 ILE 92 174.190 -4.884 -0.175 693 H SER 93 HN SER 93 174.065 -8.629 4.882 694 HA SER 93 HA SER 93 176.556 -7.708 5.993 695 1HB SER 93 HB2 SER 93 174.853 -9.558 6.863 696 2HB SER 93 HB1 SER 93 175.869 -10.615 5.883 697 HG SER 93 HG SER 93 176.700 -10.523 7.962 698 H HIS 94 HN HIS 94 178.144 -7.326 4.567 699 HA HIS 94 HA HIS 94 178.484 -8.435 2.060 700 1HB HIS 94 HB2 HIS 94 180.860 -7.713 3.738 701 2HB HIS 94 HB1 HIS 94 180.633 -7.508 2.004 702 HD1 HIS 94 HD1 HIS 94 178.966 -5.555 1.279 703 HD2 HIS 94 HD2 HIS 94 180.136 -5.530 5.259 704 HE1 HIS 94 HE1 HIS 94 178.426 -3.249 2.131 705 HE2 HIS 94 HE2 HIS 94 179.048 -3.296 4.567 706 H ARG 95 HN ARG 95 178.564 -10.494 1.600 707 HA ARG 95 HA ARG 95 180.704 -12.161 2.498 708 1HB ARG 95 HB2 ARG 95 178.133 -12.257 3.811 709 2HB ARG 95 HB1 ARG 95 178.511 -13.804 3.068 710 1HG ARG 95 HG2 ARG 95 179.879 -14.301 4.735 711 2HG ARG 95 HG1 ARG 95 180.834 -12.852 4.413 712 1HD ARG 95 HD2 ARG 95 179.725 -11.605 5.995 713 2HD ARG 95 HD1 ARG 95 178.263 -12.587 5.898 714 HE ARG 95 HE ARG 95 180.074 -14.297 6.943 715 1HH1 ARG 95 HH11 ARG 95 179.085 -11.063 7.808 716 2HH1 ARG 95 HH12 ARG 95 179.411 -11.280 9.494 717 1HH2 ARG 95 HH21 ARG 95 180.503 -14.583 9.162 718 2HH2 ARG 95 HH22 ARG 95 180.217 -13.278 10.263 719 H GLU 96 HN GLU 96 179.701 -14.642 1.785 720 HA GLU 96 HA GLU 96 178.629 -14.290 -0.914 721 1HB GLU 96 HB2 GLU 96 180.321 -15.627 -1.940 722 2HB GLU 96 HB1 GLU 96 181.126 -14.370 -1.012 723 1HG GLU 96 HG2 GLU 96 181.458 -16.037 0.813 724 2HG GLU 96 HG1 GLU 96 180.831 -17.271 -0.281 725 H GLU 97 HN GLU 97 179.712 -16.791 1.405 726 HA GLU 97 HA GLU 97 177.688 -18.591 0.416 727 1HB GLU 97 HB2 GLU 97 179.349 -20.008 0.962 728 2HB GLU 97 HB1 GLU 97 180.118 -18.820 2.000 729 1HG GLU 97 HG2 GLU 97 178.539 -19.418 3.799 730 2HG GLU 97 HG1 GLU 97 177.861 -20.664 2.752 731 H ASP 98 HN ASP 98 177.581 -16.090 2.376 732 HA ASP 98 HA ASP 98 175.065 -16.840 3.514 733 1HB ASP 98 HB2 ASP 98 175.768 -16.355 5.881 734 2HB ASP 98 HB1 ASP 98 176.419 -17.851 5.220 735 H ARG 99 HN ARG 99 174.058 -15.075 2.721 736 HA ARG 99 HA ARG 99 175.090 -12.457 3.582 737 1HB ARG 99 HB2 ARG 99 174.250 -11.485 1.487 738 2HB ARG 99 HB1 ARG 99 175.482 -12.711 1.188 739 1HG ARG 99 HG2 ARG 99 174.097 -13.803 -0.143 740 2HG ARG 99 HG1 ARG 99 172.934 -13.977 1.172 741 1HD ARG 99 HD2 ARG 99 171.863 -11.933 0.610 742 2HD ARG 99 HD1 ARG 99 173.159 -11.486 -0.503 743 HE ARG 99 HE ARG 99 172.200 -13.813 -1.524 744 1HH1 ARG 99 HH11 ARG 99 170.727 -10.779 -0.626 745 2HH1 ARG 99 HH12 ARG 99 169.471 -10.894 -1.813 746 1HH2 ARG 99 HH21 ARG 99 170.552 -13.968 -3.085 747 2HH2 ARG 99 HH22 ARG 99 169.371 -12.706 -3.211 748 H GLU 100 HN GLU 100 173.729 -11.452 4.881 749 HA GLU 100 HA GLU 100 170.877 -12.170 4.771 750 1HB GLU 100 HB2 GLU 100 172.569 -11.099 7.030 751 2HB GLU 100 HB1 GLU 100 170.817 -11.210 7.109 752 1HG GLU 100 HG2 GLU 100 172.753 -13.490 6.787 753 2HG GLU 100 HG1 GLU 100 171.805 -13.097 8.221 754 H PHE 101 HN PHE 101 169.700 -10.729 3.685 755 HA PHE 101 HA PHE 101 170.338 -7.876 4.029 756 1HB PHE 101 HB2 PHE 101 169.905 -7.441 1.799 757 2HB PHE 101 HB1 PHE 101 170.616 -9.046 1.689 758 HD1 PHE 101 HD1 PHE 101 167.445 -7.163 1.623 759 HD2 PHE 101 HD2 PHE 101 169.369 -10.888 0.878 760 HE1 PHE 101 HE1 PHE 101 165.437 -7.962 0.448 761 HE2 PHE 101 HE2 PHE 101 167.363 -11.692 -0.300 762 HZ PHE 101 HZ PHE 101 165.393 -10.228 -0.515 763 H HIS 102 HN HIS 102 168.689 -6.496 4.541 764 HA HIS 102 HA HIS 102 165.950 -7.451 4.467 765 1HB HIS 102 HB2 HIS 102 165.806 -6.497 6.962 766 2HB HIS 102 HB1 HIS 102 166.114 -8.191 6.609 767 HD1 HIS 102 HD1 HIS 102 167.159 -5.930 8.935 768 HD2 HIS 102 HD2 HIS 102 169.286 -8.272 6.244 769 HE1 HIS 102 HE1 HIS 102 169.471 -6.138 9.901 770 HE2 HIS 102 HE2 HIS 102 170.705 -7.648 8.309 771 H VAL 103 HN VAL 103 164.442 -5.691 5.348 772 HA VAL 103 HA VAL 103 165.480 -3.001 5.027 773 HB VAL 103 HB VAL 103 165.001 -3.778 2.713 774 1HG1 VAL 103 HG11 VAL 103 163.057 -5.199 3.294 775 2HG1 VAL 103 HG12 VAL 103 162.725 -4.075 1.976 776 3HG1 VAL 103 HG13 VAL 103 162.119 -3.736 3.599 777 1HG2 VAL 103 HG21 VAL 103 163.642 -1.434 3.952 778 2HG2 VAL 103 HG22 VAL 103 163.381 -1.781 2.244 779 3HG2 VAL 103 HG23 VAL 103 165.013 -1.486 2.845 780 H ILE 104 HN ILE 104 164.227 -1.396 5.907 781 HA ILE 104 HA ILE 104 161.786 -2.317 7.288 782 HB ILE 104 HB ILE 104 162.150 -0.125 8.638 783 1HG1 ILE 104 HG12 ILE 104 164.121 0.515 7.127 784 2HG1 ILE 104 HG11 ILE 104 164.339 0.694 8.862 785 1HG2 ILE 104 HG21 ILE 104 163.795 -1.480 10.139 786 2HG2 ILE 104 HG22 ILE 104 163.478 -2.762 8.970 787 3HG2 ILE 104 HG23 ILE 104 162.145 -2.043 9.870 788 1HD1 ILE 104 HD11 ILE 104 165.867 -0.822 6.988 789 2HD1 ILE 104 HD12 ILE 104 165.223 -1.891 8.232 790 3HD1 ILE 104 HD13 ILE 104 166.192 -0.490 8.688 791 H TRP 105 HN TRP 105 159.915 -1.167 7.111 792 HA TRP 105 HA TRP 105 159.911 0.967 5.076 793 1HB TRP 105 HB2 TRP 105 157.626 -0.868 5.808 794 2HB TRP 105 HB1 TRP 105 157.650 0.305 4.495 795 HD1 TRP 105 HD1 TRP 105 158.596 -3.233 5.342 796 HE1 TRP 105 HE1 TRP 105 159.596 -4.385 3.270 797 HE3 TRP 105 HE3 TRP 105 159.163 0.860 2.317 798 HZ2 TRP 105 HZ2 TRP 105 160.501 -3.660 0.699 799 HZ3 TRP 105 HZ3 TRP 105 160.094 0.539 0.070 800 HH2 TRP 105 HH2 TRP 105 160.755 -1.674 -0.723 801 H LYS 106 HN LYS 106 158.588 2.783 5.382 802 HA LYS 106 HA LYS 106 158.474 3.802 7.981 803 1HB LYS 106 HB2 LYS 106 157.755 4.680 5.324 804 2HB LYS 106 HB1 LYS 106 156.546 5.199 6.490 805 1HG LYS 106 HG2 LYS 106 159.097 5.696 7.616 806 2HG LYS 106 HG1 LYS 106 159.104 6.308 5.962 807 1HD LYS 106 HD2 LYS 106 156.651 6.951 7.397 808 2HD LYS 106 HD1 LYS 106 158.091 7.608 8.175 809 1HE LYS 106 HE2 LYS 106 157.353 7.977 5.273 810 2HE LYS 106 HE1 LYS 106 157.098 9.169 6.547 811 1HZ LYS 106 HZ1 LYS 106 159.547 8.402 5.188 812 2HZ LYS 106 HZ2 LYS 106 159.690 8.674 6.852 813 3HZ LYS 106 HZ3 LYS 106 159.092 9.894 5.845 814 H LYS 107 HN LYS 107 156.561 4.473 9.201 815 HA LYS 107 HA LYS 107 154.229 2.733 8.794 816 1HB LYS 107 HB2 LYS 107 154.147 2.503 11.330 817 2HB LYS 107 HB1 LYS 107 155.390 1.583 10.495 818 1HG LYS 107 HG2 LYS 107 156.114 4.280 11.489 819 2HG LYS 107 HG1 LYS 107 155.895 2.992 12.676 820 1HD LYS 107 HD2 LYS 107 157.613 1.691 11.742 821 2HD LYS 107 HD1 LYS 107 157.622 2.626 10.245 822 1HE LYS 107 HE2 LYS 107 158.235 4.593 11.900 823 2HE LYS 107 HE1 LYS 107 158.815 3.259 12.897 824 1HZ LYS 107 HZ1 LYS 107 159.743 4.092 10.219 825 2HZ LYS 107 HZ2 LYS 107 160.046 2.534 10.803 826 3HZ LYS 107 HZ3 LYS 107 160.647 3.880 11.634 Start of MODEL 5 1 H MET 1 HT1 MET 1 193.664 -7.879 8.289 2 HA MET 1 HA MET 1 195.699 -6.643 7.584 3 1HB MET 1 HB2 MET 1 196.894 -8.068 9.518 4 2HB MET 1 HB1 MET 1 197.184 -9.153 8.165 5 1HG MET 1 HG2 MET 1 198.696 -7.792 7.226 6 2HG MET 1 HG1 MET 1 197.796 -6.334 7.638 7 1HE MET 1 HE1 MET 1 199.875 -4.735 10.030 8 2HE MET 1 HE2 MET 1 198.212 -5.143 10.449 9 3HE MET 1 HE3 MET 1 198.629 -4.747 8.782 10 H THR 2 HN THR 2 195.512 -10.210 7.520 11 HA THR 2 HA THR 2 195.878 -10.398 4.733 12 HB THR 2 HB THR 2 195.099 -12.245 6.928 13 HG1 THR 2 HG1 THR 2 196.993 -12.234 4.835 14 1HG2 THR 2 HG21 THR 2 193.435 -12.861 5.230 15 2HG2 THR 2 HG22 THR 2 194.649 -14.116 5.474 16 3HG2 THR 2 HG23 THR 2 194.733 -13.075 4.054 17 H THR 3 HN THR 3 193.044 -10.029 6.740 18 HA THR 3 HA THR 3 190.814 -9.880 6.295 19 HB THR 3 HB THR 3 191.420 -7.712 5.524 20 HG1 THR 3 HG1 THR 3 189.405 -7.874 4.881 21 1HG2 THR 3 HG21 THR 3 192.187 -8.972 2.903 22 2HG2 THR 3 HG22 THR 3 193.258 -8.167 4.049 23 3HG2 THR 3 HG23 THR 3 192.031 -7.239 3.189 24 H GLU 4 HN GLU 4 189.870 -11.783 5.925 25 HA GLU 4 HA GLU 4 190.180 -13.078 3.322 26 1HB GLU 4 HB2 GLU 4 188.533 -14.231 5.541 27 2HB GLU 4 HB1 GLU 4 189.474 -15.058 4.310 28 1HG GLU 4 HG2 GLU 4 191.494 -14.680 5.443 29 2HG GLU 4 HG1 GLU 4 190.775 -13.454 6.487 30 H ILE 5 HN ILE 5 187.848 -11.350 5.233 31 HA ILE 5 HA ILE 5 185.554 -12.142 3.702 32 HB ILE 5 HB ILE 5 185.674 -9.604 5.306 33 1HG1 ILE 5 HG12 ILE 5 184.761 -11.894 6.856 34 2HG1 ILE 5 HG11 ILE 5 186.449 -12.067 6.389 35 1HG2 ILE 5 HG21 ILE 5 183.314 -10.747 5.870 36 2HG2 ILE 5 HG22 ILE 5 183.605 -11.430 4.271 37 3HG2 ILE 5 HG23 ILE 5 183.575 -9.681 4.490 38 1HD1 ILE 5 HD11 ILE 5 186.359 -9.482 7.248 39 2HD1 ILE 5 HD12 ILE 5 186.870 -10.867 8.212 40 3HD1 ILE 5 HD13 ILE 5 185.211 -10.279 8.323 41 H LYS 6 HN LYS 6 184.536 -11.080 2.054 42 HA LYS 6 HA LYS 6 186.161 -9.159 0.594 43 1HB LYS 6 HB2 LYS 6 183.697 -10.745 -0.103 44 2HB LYS 6 HB1 LYS 6 184.316 -9.477 -1.151 45 1HG LYS 6 HG2 LYS 6 186.540 -11.024 -0.625 46 2HG LYS 6 HG1 LYS 6 185.235 -12.201 -0.782 47 1HD LYS 6 HD2 LYS 6 185.821 -12.015 -2.978 48 2HD LYS 6 HD1 LYS 6 184.646 -10.700 -2.891 49 1HE LYS 6 HE2 LYS 6 186.400 -9.636 -3.918 50 2HE LYS 6 HE1 LYS 6 186.747 -9.282 -2.226 51 1HZ LYS 6 HZ1 LYS 6 188.180 -11.357 -2.301 52 2HZ LYS 6 HZ2 LYS 6 188.762 -9.998 -3.123 53 3HZ LYS 6 HZ3 LYS 6 188.051 -11.267 -3.986 54 H LYS 7 HN LYS 7 184.590 -7.544 -0.719 55 HA LYS 7 HA LYS 7 182.700 -6.310 1.147 56 1HB LYS 7 HB2 LYS 7 185.176 -5.041 0.019 57 2HB LYS 7 HB1 LYS 7 183.774 -4.055 0.407 58 1HG LYS 7 HG2 LYS 7 184.046 -5.509 2.686 59 2HG LYS 7 HG1 LYS 7 185.730 -5.336 2.171 60 1HD LYS 7 HD2 LYS 7 184.342 -2.835 1.871 61 2HD LYS 7 HD1 LYS 7 184.135 -3.448 3.513 62 1HE LYS 7 HE2 LYS 7 186.825 -3.354 2.181 63 2HE LYS 7 HE1 LYS 7 186.165 -1.962 3.040 64 1HZ LYS 7 HZ1 LYS 7 187.663 -3.575 4.313 65 2HZ LYS 7 HZ2 LYS 7 186.324 -4.607 4.340 66 3HZ LYS 7 HZ3 LYS 7 186.227 -3.078 5.056 67 H LEU 8 HN LEU 8 181.876 -4.163 -0.112 68 HA LEU 8 HA LEU 8 181.264 -4.960 -2.878 69 1HB LEU 8 HB2 LEU 8 179.439 -4.589 -0.631 70 2HB LEU 8 HB1 LEU 8 179.004 -3.614 -2.021 71 HG LEU 8 HG LEU 8 179.497 -6.578 -2.218 72 1HD1 LEU 8 HD11 LEU 8 177.551 -5.635 -0.659 73 2HD1 LEU 8 HD12 LEU 8 177.356 -7.071 -1.665 74 3HD1 LEU 8 HD13 LEU 8 176.737 -5.515 -2.219 75 1HD2 LEU 8 HD21 LEU 8 178.388 -4.457 -4.012 76 2HD2 LEU 8 HD22 LEU 8 177.889 -6.138 -4.204 77 3HD2 LEU 8 HD23 LEU 8 179.591 -5.700 -4.358 78 H ASP 9 HN ASP 9 181.013 -3.302 -4.357 79 HA ASP 9 HA ASP 9 182.302 -0.827 -3.659 80 1HB ASP 9 HB2 ASP 9 181.760 -2.297 -6.062 81 2HB ASP 9 HB1 ASP 9 181.183 -0.645 -6.259 82 HA PRO 10 HA PRO 10 178.891 1.753 -2.616 83 1HB PRO 10 HB2 PRO 10 180.022 3.679 -4.594 84 2HB PRO 10 HB1 PRO 10 179.578 3.933 -2.897 85 1HG PRO 10 HG2 PRO 10 182.133 3.710 -3.609 86 2HG PRO 10 HG1 PRO 10 181.540 2.979 -2.106 87 1HD PRO 10 HD2 PRO 10 182.224 1.682 -4.705 88 2HD PRO 10 HD1 PRO 10 182.439 1.079 -3.049 89 H ASP 11 HN ASP 11 179.715 2.075 -6.078 90 HA ASP 11 HA ASP 11 177.049 2.599 -6.882 91 1HB ASP 11 HB2 ASP 11 179.398 2.967 -8.088 92 2HB ASP 11 HB1 ASP 11 178.981 1.420 -8.819 93 H THR 12 HN THR 12 178.896 -0.327 -6.442 94 HA THR 12 HA THR 12 177.254 -2.064 -7.948 95 HB THR 12 HB THR 12 178.983 -2.693 -5.547 96 HG1 THR 12 HG1 THR 12 180.493 -3.280 -7.217 97 1HG2 THR 12 HG21 THR 12 177.612 -4.582 -5.940 98 2HG2 THR 12 HG22 THR 12 179.189 -4.927 -6.650 99 3HG2 THR 12 HG23 THR 12 177.839 -4.464 -7.685 100 H ALA 13 HN ALA 13 177.398 -1.527 -4.418 101 HA ALA 13 HA ALA 13 175.226 -3.122 -3.726 102 1HB ALA 13 HB1 ALA 13 176.708 -0.910 -2.449 103 2HB ALA 13 HB2 ALA 13 176.338 -2.526 -1.849 104 3HB ALA 13 HB3 ALA 13 175.107 -1.263 -1.800 105 H ILE 14 HN ILE 14 175.312 0.345 -4.501 106 HA ILE 14 HA ILE 14 172.641 0.953 -4.032 107 HB ILE 14 HB ILE 14 174.492 2.114 -6.119 108 1HG1 ILE 14 HG12 ILE 14 173.737 3.315 -3.462 109 2HG1 ILE 14 HG11 ILE 14 175.097 2.208 -3.618 110 1HG2 ILE 14 HG21 ILE 14 171.889 3.191 -5.043 111 2HG2 ILE 14 HG22 ILE 14 172.185 2.608 -6.682 112 3HG2 ILE 14 HG23 ILE 14 172.998 4.063 -6.103 113 1HD1 ILE 14 HD11 ILE 14 175.761 4.572 -3.679 114 2HD1 ILE 14 HD12 ILE 14 174.795 4.785 -5.140 115 3HD1 ILE 14 HD13 ILE 14 176.189 3.705 -5.154 116 H ASP 15 HN ASP 15 174.184 -0.318 -6.953 117 HA ASP 15 HA ASP 15 171.970 -0.220 -8.660 118 1HB ASP 15 HB2 ASP 15 174.546 -0.941 -8.986 119 2HB ASP 15 HB1 ASP 15 173.804 -2.537 -8.935 120 H ILE 16 HN ILE 16 173.159 -2.932 -6.679 121 HA ILE 16 HA ILE 16 171.094 -4.723 -7.290 122 HB ILE 16 HB ILE 16 172.610 -4.605 -4.683 123 1HG1 ILE 16 HG12 ILE 16 173.576 -6.479 -6.709 124 2HG1 ILE 16 HG11 ILE 16 173.726 -4.794 -7.212 125 1HG2 ILE 16 HG21 ILE 16 170.527 -6.190 -5.298 126 2HG2 ILE 16 HG22 ILE 16 171.845 -6.679 -4.233 127 3HG2 ILE 16 HG23 ILE 16 171.854 -7.166 -5.928 128 1HD1 ILE 16 HD11 ILE 16 175.274 -6.302 -5.296 129 2HD1 ILE 16 HD12 ILE 16 174.652 -4.802 -4.607 130 3HD1 ILE 16 HD13 ILE 16 175.627 -4.760 -6.076 131 H ALA 17 HN ALA 17 171.500 -2.793 -4.308 132 HA ALA 17 HA ALA 17 169.109 -3.357 -3.086 133 1HB ALA 17 HB1 ALA 17 170.854 -0.929 -3.064 134 2HB ALA 17 HB2 ALA 17 170.574 -2.120 -1.794 135 3HB ALA 17 HB3 ALA 17 169.328 -0.933 -2.180 136 H TYR 18 HN TYR 18 169.714 -1.126 -5.729 137 HA TYR 18 HA TYR 18 167.259 0.241 -5.684 138 1HB TYR 18 HB2 TYR 18 169.349 0.830 -7.017 139 2HB TYR 18 HB1 TYR 18 168.833 -0.386 -8.181 140 HD1 TYR 18 HD1 TYR 18 167.991 2.867 -6.665 141 HD2 TYR 18 HD2 TYR 18 167.036 0.044 -9.701 142 HE1 TYR 18 HE1 TYR 18 166.558 4.538 -7.760 143 HE2 TYR 18 HE2 TYR 18 165.601 1.707 -10.806 144 HH TYR 18 HH TYR 18 164.717 4.662 -9.300 145 H ASP 19 HN ASP 19 168.282 -2.540 -7.669 146 HA ASP 19 HA ASP 19 165.891 -3.006 -8.984 147 1HB ASP 19 HB2 ASP 19 168.345 -4.239 -8.892 148 2HB ASP 19 HB1 ASP 19 167.287 -5.463 -8.182 149 H ILE 20 HN ILE 20 166.829 -3.813 -5.719 150 HA ILE 20 HA ILE 20 164.731 -5.650 -5.177 151 HB ILE 20 HB ILE 20 166.234 -3.925 -3.202 152 1HG1 ILE 20 HG12 ILE 20 166.887 -6.728 -4.139 153 2HG1 ILE 20 HG11 ILE 20 167.721 -5.273 -4.692 154 1HG2 ILE 20 HG21 ILE 20 165.717 -6.226 -1.910 155 2HG2 ILE 20 HG22 ILE 20 164.302 -6.135 -2.960 156 3HG2 ILE 20 HG23 ILE 20 164.666 -4.812 -1.853 157 1HD1 ILE 20 HD11 ILE 20 168.173 -4.879 -2.175 158 2HD1 ILE 20 HD12 ILE 20 169.124 -6.078 -3.051 159 3HD1 ILE 20 HD13 ILE 20 167.793 -6.593 -2.016 160 H PHE 21 HN PHE 21 165.125 -2.422 -3.717 161 HA PHE 21 HA PHE 21 162.662 -1.994 -2.721 162 1HB PHE 21 HB2 PHE 21 164.439 -0.373 -2.477 163 2HB PHE 21 HB1 PHE 21 164.393 -0.002 -4.194 164 HD1 PHE 21 HD1 PHE 21 161.905 -0.166 -1.405 165 HD2 PHE 21 HD2 PHE 21 163.495 2.033 -4.683 166 HE1 PHE 21 HE1 PHE 21 160.291 1.643 -0.974 167 HE2 PHE 21 HE2 PHE 21 161.885 3.843 -4.255 168 HZ PHE 21 HZ PHE 21 160.282 3.649 -2.399 169 H LEU 22 HN LEU 22 163.491 -1.957 -6.114 170 HA LEU 22 HA LEU 22 161.070 -0.723 -6.993 171 1HB LEU 22 HB2 LEU 22 163.538 -1.472 -8.119 172 2HB LEU 22 HB1 LEU 22 162.313 -2.368 -9.007 173 HG LEU 22 HG LEU 22 161.232 -0.353 -9.709 174 1HD1 LEU 22 HD11 LEU 22 162.740 0.813 -7.476 175 2HD1 LEU 22 HD12 LEU 22 161.187 1.282 -8.168 176 3HD1 LEU 22 HD13 LEU 22 162.687 1.806 -8.933 177 1HD2 LEU 22 HD21 LEU 22 163.718 -1.108 -10.498 178 2HD2 LEU 22 HD22 LEU 22 163.979 0.591 -10.098 179 3HD2 LEU 22 HD23 LEU 22 162.750 0.143 -11.281 180 H GLU 23 HN GLU 23 162.196 -4.056 -6.684 181 HA GLU 23 HA GLU 23 159.707 -5.064 -7.800 182 1HB GLU 23 HB2 GLU 23 161.241 -6.481 -8.625 183 2HB GLU 23 HB1 GLU 23 162.409 -6.101 -7.371 184 1HG GLU 23 HG2 GLU 23 161.501 -7.700 -5.899 185 2HG GLU 23 HG1 GLU 23 160.052 -7.895 -6.886 186 H MET 24 HN MET 24 161.313 -4.934 -4.640 187 HA MET 24 HA MET 24 159.328 -6.672 -3.464 188 1HB MET 24 HB2 MET 24 160.525 -6.233 -1.345 189 2HB MET 24 HB1 MET 24 161.572 -6.828 -2.626 190 1HG MET 24 HG2 MET 24 162.746 -4.911 -2.754 191 2HG MET 24 HG1 MET 24 161.357 -3.899 -2.351 192 1HE MET 24 HE1 MET 24 163.545 -6.505 0.667 193 2HE MET 24 HE2 MET 24 162.722 -6.988 -0.816 194 3HE MET 24 HE3 MET 24 161.789 -6.671 0.648 195 H ALA 25 HN ALA 25 159.982 -3.200 -3.533 196 HA ALA 25 HA ALA 25 158.191 -2.467 -1.484 197 1HB ALA 25 HB1 ALA 25 158.854 -0.799 -3.901 198 2HB ALA 25 HB2 ALA 25 159.927 -0.988 -2.514 199 3HB ALA 25 HB3 ALA 25 158.344 -0.240 -2.308 200 H GLY 26 HN GLY 26 156.033 -2.322 -1.393 201 1HA GLY 26 HA2 GLY 26 153.978 -1.610 -2.577 202 2HA GLY 26 HA1 GLY 26 154.534 -2.583 -3.930 203 H GLU 27 HN GLU 27 154.452 -3.330 -0.466 204 HA GLU 27 HA GLU 27 152.170 -4.974 -0.539 205 1HB GLU 27 HB2 GLU 27 153.165 -7.192 -0.502 206 2HB GLU 27 HB1 GLU 27 153.564 -6.367 -2.003 207 1HG GLU 27 HG2 GLU 27 155.773 -5.796 -1.055 208 2HG GLU 27 HG1 GLU 27 155.364 -6.736 0.380 209 H ASN 28 HN ASN 28 155.138 -4.014 0.993 210 HA ASN 28 HA ASN 28 154.031 -4.868 3.584 211 1HB ASN 28 HB2 ASN 28 156.414 -5.717 2.499 212 2HB ASN 28 HB1 ASN 28 156.922 -4.376 3.530 213 1HD2 ASN 28 HD21 ASN 28 156.202 -7.621 3.418 214 2HD2 ASN 28 HD22 ASN 28 156.035 -7.918 5.112 215 H LEU 29 HN LEU 29 155.722 -2.376 1.781 216 HA LEU 29 HA LEU 29 156.137 -0.572 3.903 217 1HB LEU 29 HB2 LEU 29 157.353 -0.336 1.858 218 2HB LEU 29 HB1 LEU 29 155.879 -0.169 0.931 219 HG LEU 29 HG LEU 29 156.177 1.881 3.003 220 1HD1 LEU 29 HD11 LEU 29 157.836 3.050 1.279 221 2HD1 LEU 29 HD12 LEU 29 158.365 1.382 1.071 222 3HD1 LEU 29 HD13 LEU 29 158.404 2.129 2.670 223 1HD2 LEU 29 HD21 LEU 29 155.309 1.606 0.186 224 2HD2 LEU 29 HD22 LEU 29 155.911 3.186 0.677 225 3HD2 LEU 29 HD23 LEU 29 154.553 2.458 1.527 226 H ASP 30 HN ASP 30 154.929 1.052 4.739 227 HA ASP 30 HA ASP 30 152.241 0.867 5.037 228 1HB ASP 30 HB2 ASP 30 154.194 3.058 5.363 229 2HB ASP 30 HB1 ASP 30 152.505 3.551 5.284 230 HA PRO 31 HA PRO 31 150.091 1.769 1.284 231 1HB PRO 31 HB2 PRO 31 148.119 3.399 2.503 232 2HB PRO 31 HB1 PRO 31 148.005 1.671 2.140 233 1HG PRO 31 HG2 PRO 31 148.686 3.034 4.691 234 2HG PRO 31 HG1 PRO 31 147.859 1.490 4.423 235 1HD PRO 31 HD2 PRO 31 150.392 1.582 5.281 236 2HD PRO 31 HD1 PRO 31 149.852 0.330 4.137 237 H ALA 32 HN ALA 32 150.203 4.566 3.517 238 HA ALA 32 HA ALA 32 149.984 6.575 1.632 239 1HB ALA 32 HB1 ALA 32 149.947 6.802 4.144 240 2HB ALA 32 HB2 ALA 32 150.807 8.070 3.271 241 3HB ALA 32 HB3 ALA 32 151.709 6.793 4.086 242 H ASP 33 HN ASP 33 153.029 5.347 3.029 243 HA ASP 33 HA ASP 33 154.777 6.813 1.466 244 1HB ASP 33 HB2 ASP 33 155.103 4.073 2.691 245 2HB ASP 33 HB1 ASP 33 156.426 4.951 1.927 246 H ILE 34 HN ILE 34 152.928 3.980 0.617 247 HA ILE 34 HA ILE 34 154.421 3.216 -1.669 248 HB ILE 34 HB ILE 34 151.507 2.788 -0.992 249 1HG1 ILE 34 HG12 ILE 34 153.872 0.901 -0.961 250 2HG1 ILE 34 HG11 ILE 34 153.145 1.648 0.463 251 1HG2 ILE 34 HG21 ILE 34 153.103 1.667 -3.287 252 2HG2 ILE 34 HG22 ILE 34 151.702 2.734 -3.387 253 3HG2 ILE 34 HG23 ILE 34 151.515 1.086 -2.788 254 1HD1 ILE 34 HD11 ILE 34 151.010 0.438 -0.775 255 2HD1 ILE 34 HD12 ILE 34 151.912 -0.190 0.604 256 3HD1 ILE 34 HD13 ILE 34 152.334 -0.698 -1.031 257 H LEU 35 HN LEU 35 151.597 5.301 -1.219 258 HA LEU 35 HA LEU 35 151.105 5.960 -3.874 259 1HB LEU 35 HB2 LEU 35 149.565 6.517 -2.085 260 2HB LEU 35 HB1 LEU 35 150.733 7.618 -1.382 261 HG LEU 35 HG LEU 35 150.399 8.541 -3.990 262 1HD1 LEU 35 HD11 LEU 35 148.033 8.779 -4.310 263 2HD1 LEU 35 HD12 LEU 35 147.701 7.937 -2.796 264 3HD1 LEU 35 HD13 LEU 35 148.415 7.065 -4.153 265 1HD2 LEU 35 HD21 LEU 35 149.660 10.497 -2.966 266 2HD2 LEU 35 HD22 LEU 35 150.632 9.720 -1.716 267 3HD2 LEU 35 HD23 LEU 35 148.872 9.625 -1.651 268 H LEU 36 HN LEU 36 153.047 7.783 -1.494 269 HA LEU 36 HA LEU 36 153.949 9.763 -3.254 270 1HB LEU 36 HB2 LEU 36 155.137 8.621 -0.735 271 2HB LEU 36 HB1 LEU 36 155.881 9.953 -1.599 272 HG LEU 36 HG LEU 36 153.028 10.329 -0.959 273 1HD1 LEU 36 HD11 LEU 36 155.084 10.409 1.242 274 2HD1 LEU 36 HD12 LEU 36 153.863 9.151 1.057 275 3HD1 LEU 36 HD13 LEU 36 153.373 10.816 1.368 276 1HD2 LEU 36 HD21 LEU 36 153.791 12.570 -0.445 277 2HD2 LEU 36 HD22 LEU 36 154.447 12.049 -1.997 278 3HD2 LEU 36 HD23 LEU 36 155.472 12.050 -0.563 279 H PHE 37 HN PHE 37 155.738 6.922 -2.094 280 HA PHE 37 HA PHE 37 157.988 7.092 -3.652 281 1HB PHE 37 HB2 PHE 37 158.077 5.375 -2.098 282 2HB PHE 37 HB1 PHE 37 156.474 4.779 -2.505 283 HD1 PHE 37 HD1 PHE 37 156.750 2.541 -3.022 284 HD2 PHE 37 HD2 PHE 37 159.424 5.398 -4.691 285 HE1 PHE 37 HE1 PHE 37 157.754 0.781 -4.415 286 HE2 PHE 37 HE2 PHE 37 160.433 3.644 -6.089 287 HZ PHE 37 HZ PHE 37 159.600 1.331 -5.951 288 H ASN 38 HN ASN 38 154.779 6.105 -4.632 289 HA ASN 38 HA ASN 38 155.638 5.051 -7.170 290 1HB ASN 38 HB2 ASN 38 152.980 5.552 -5.874 291 2HB ASN 38 HB1 ASN 38 153.067 5.205 -7.598 292 1HD2 ASN 38 HD21 ASN 38 152.197 3.225 -7.658 293 2HD2 ASN 38 HD22 ASN 38 152.844 1.840 -6.835 294 H LEU 39 HN LEU 39 154.009 8.000 -6.061 295 HA LEU 39 HA LEU 39 153.828 9.117 -8.684 296 1HB LEU 39 HB2 LEU 39 153.405 10.233 -5.924 297 2HB LEU 39 HB1 LEU 39 153.242 11.216 -7.365 298 HG LEU 39 HG LEU 39 151.233 10.328 -7.912 299 1HD1 LEU 39 HD11 LEU 39 150.541 8.019 -7.543 300 2HD1 LEU 39 HD12 LEU 39 152.038 7.706 -6.667 301 3HD1 LEU 39 HD13 LEU 39 152.088 8.097 -8.386 302 1HD2 LEU 39 HD21 LEU 39 150.013 9.511 -5.814 303 2HD2 LEU 39 HD22 LEU 39 150.705 11.134 -5.792 304 3HD2 LEU 39 HD23 LEU 39 151.540 9.808 -4.981 305 H GLN 40 HN GLN 40 155.354 10.728 -5.919 306 HA GLN 40 HA GLN 40 157.243 11.990 -7.678 307 1HB GLN 40 HB2 GLN 40 158.037 13.128 -5.613 308 2HB GLN 40 HB1 GLN 40 156.320 13.330 -5.927 309 1HG GLN 40 HG2 GLN 40 155.906 11.466 -4.297 310 2HG GLN 40 HG1 GLN 40 157.615 11.552 -3.878 311 1HE2 GLN 40 HE21 GLN 40 158.365 13.278 -2.665 312 2HE2 GLN 40 HE22 GLN 40 157.311 14.417 -1.907 313 H PHE 41 HN PHE 41 158.455 10.222 -8.431 314 HA PHE 41 HA PHE 41 160.548 9.383 -6.547 315 1HB PHE 41 HB2 PHE 41 158.811 7.552 -7.037 316 2HB PHE 41 HB1 PHE 41 159.516 7.498 -8.657 317 HD1 PHE 41 HD1 PHE 41 160.619 7.485 -5.092 318 HD2 PHE 41 HD2 PHE 41 161.197 5.975 -9.028 319 HE1 PHE 41 HE1 PHE 41 162.411 6.021 -4.261 320 HE2 PHE 41 HE2 PHE 41 162.989 4.502 -8.203 321 HZ PHE 41 HZ PHE 41 163.601 4.526 -5.815 322 H GLU 42 HN GLU 42 159.553 10.136 -9.803 323 HA GLU 42 HA GLU 42 161.746 9.545 -11.324 324 1HB GLU 42 HB2 GLU 42 159.596 10.620 -12.088 325 2HB GLU 42 HB1 GLU 42 160.247 12.156 -11.533 326 1HG GLU 42 HG2 GLU 42 161.501 12.401 -13.351 327 2HG GLU 42 HG1 GLU 42 162.085 10.739 -13.276 328 H GLU 43 HN GLU 43 161.268 12.807 -9.944 329 HA GLU 43 HA GLU 43 164.153 13.227 -10.062 330 1HB GLU 43 HB2 GLU 43 162.084 15.249 -9.224 331 2HB GLU 43 HB1 GLU 43 163.708 15.544 -9.829 332 1HG GLU 43 HG2 GLU 43 162.796 14.335 -11.966 333 2HG GLU 43 HG1 GLU 43 161.233 14.822 -11.310 334 H ARG 44 HN ARG 44 161.525 13.157 -7.697 335 HA ARG 44 HA ARG 44 163.158 13.909 -5.484 336 1HB ARG 44 HB2 ARG 44 160.401 12.778 -5.794 337 2HB ARG 44 HB1 ARG 44 161.146 12.846 -4.205 338 1HG ARG 44 HG2 ARG 44 160.112 14.849 -4.155 339 2HG ARG 44 HG1 ARG 44 161.590 15.360 -4.973 340 1HD ARG 44 HD2 ARG 44 160.541 15.686 -6.951 341 2HD ARG 44 HD1 ARG 44 159.439 14.331 -6.709 342 HE ARG 44 HE ARG 44 158.619 16.206 -4.904 343 1HH1 ARG 44 HH11 ARG 44 159.110 16.178 -8.360 344 2HH1 ARG 44 HH12 ARG 44 157.875 17.352 -8.670 345 1HH2 ARG 44 HH21 ARG 44 156.995 17.750 -5.312 346 2HH2 ARG 44 HH22 ARG 44 156.675 18.244 -6.941 347 H GLY 45 HN GLY 45 162.056 10.835 -6.811 348 1HA GLY 45 HA2 GLY 45 162.864 9.118 -4.785 349 2HA GLY 45 HA1 GLY 45 162.797 8.686 -6.487 350 H GLY 46 HN GLY 46 164.757 8.973 -3.835 351 1HA GLY 46 HA2 GLY 46 167.157 8.745 -5.521 352 2HA GLY 46 HA1 GLY 46 167.160 9.877 -4.174 353 H VAL 47 HN VAL 47 168.869 7.511 -4.597 354 HA VAL 47 HA VAL 47 168.214 6.139 -2.087 355 HB VAL 47 HB VAL 47 169.224 4.755 -4.578 356 1HG1 VAL 47 HG11 VAL 47 168.414 2.773 -2.966 357 2HG1 VAL 47 HG12 VAL 47 168.935 3.943 -1.753 358 3HG1 VAL 47 HG13 VAL 47 170.067 3.387 -2.986 359 1HG2 VAL 47 HG21 VAL 47 166.498 4.918 -3.334 360 2HG2 VAL 47 HG22 VAL 47 166.970 3.556 -4.351 361 3HG2 VAL 47 HG23 VAL 47 166.967 5.191 -5.012 362 H GLU 48 HN GLU 48 169.791 6.891 -0.796 363 HA GLU 48 HA GLU 48 172.510 7.157 -1.827 364 1HB GLU 48 HB2 GLU 48 171.283 7.979 0.809 365 2HB GLU 48 HB1 GLU 48 172.965 8.243 0.370 366 1HG GLU 48 HG2 GLU 48 170.680 9.316 -1.254 367 2HG GLU 48 HG1 GLU 48 171.397 10.201 0.092 368 H PHE 49 HN PHE 49 174.291 6.119 -0.923 369 HA PHE 49 HA PHE 49 173.652 3.595 0.415 370 1HB PHE 49 HB2 PHE 49 174.980 3.433 -1.627 371 2HB PHE 49 HB1 PHE 49 176.191 4.517 -0.948 372 HD1 PHE 49 HD1 PHE 49 174.857 1.130 -0.966 373 HD2 PHE 49 HD2 PHE 49 177.679 3.763 0.826 374 HE1 PHE 49 HE1 PHE 49 176.042 -0.800 -0.008 375 HE2 PHE 49 HE2 PHE 49 178.870 1.836 1.787 376 HZ PHE 49 HZ PHE 49 178.049 -0.446 1.370 377 H VAL 50 HN VAL 50 174.287 3.104 2.426 378 HA VAL 50 HA VAL 50 176.138 4.932 3.795 379 HB VAL 50 HB VAL 50 174.620 4.318 5.885 380 1HG1 VAL 50 HG11 VAL 50 174.576 6.527 3.939 381 2HG1 VAL 50 HG12 VAL 50 174.840 6.550 5.683 382 3HG1 VAL 50 HG13 VAL 50 173.200 6.446 5.040 383 1HG2 VAL 50 HG21 VAL 50 172.466 3.759 5.509 384 2HG2 VAL 50 HG22 VAL 50 173.105 3.115 3.998 385 3HG2 VAL 50 HG23 VAL 50 172.365 4.714 4.031 386 H GLU 51 HN GLU 51 176.657 3.882 6.084 387 HA GLU 51 HA GLU 51 177.339 1.066 5.549 388 1HB GLU 51 HB2 GLU 51 178.859 3.286 6.861 389 2HB GLU 51 HB1 GLU 51 179.175 1.624 7.341 390 1HG GLU 51 HG2 GLU 51 179.796 1.037 5.097 391 2HG GLU 51 HG1 GLU 51 179.330 2.633 4.511 392 H THR 52 HN THR 52 177.213 -0.430 7.229 393 HA THR 52 HA THR 52 175.038 -0.404 8.871 394 HB THR 52 HB THR 52 177.676 -1.790 9.383 395 HG1 THR 52 HG1 THR 52 177.100 -3.039 7.823 396 1HG2 THR 52 HG21 THR 52 176.226 -3.525 10.476 397 2HG2 THR 52 HG22 THR 52 174.942 -2.317 10.505 398 3HG2 THR 52 HG23 THR 52 176.446 -2.028 11.382 399 H ALA 53 HN ALA 53 174.972 -0.452 11.299 400 HA ALA 53 HA ALA 53 176.598 1.745 12.400 401 1HB ALA 53 HB1 ALA 53 174.095 1.248 13.795 402 2HB ALA 53 HB2 ALA 53 173.858 1.679 12.101 403 3HB ALA 53 HB3 ALA 53 174.762 2.756 13.167 404 H ASP 54 HN ASP 54 175.993 1.558 15.036 405 HA ASP 54 HA ASP 54 176.963 -1.127 15.770 406 1HB ASP 54 HB2 ASP 54 177.795 1.594 16.651 407 2HB ASP 54 HB1 ASP 54 177.816 0.308 17.853 408 H ASP 55 HN ASP 55 174.237 -0.581 15.558 409 HA ASP 55 HA ASP 55 173.266 -1.505 18.012 410 1HB ASP 55 HB2 ASP 55 173.799 0.922 18.611 411 2HB ASP 55 HB1 ASP 55 172.471 1.368 17.545 412 H TRP 56 HN TRP 56 172.938 -2.293 15.414 413 HA TRP 56 HA TRP 56 170.534 -1.302 14.253 414 1HB TRP 56 HB2 TRP 56 172.571 -3.241 13.587 415 2HB TRP 56 HB1 TRP 56 170.959 -3.891 13.258 416 HD1 TRP 56 HD1 TRP 56 173.557 -1.718 11.773 417 HE1 TRP 56 HE1 TRP 56 172.639 -0.505 9.696 418 HE3 TRP 56 HE3 TRP 56 168.583 -2.701 12.399 419 HZ2 TRP 56 HZ2 TRP 56 170.131 -0.032 8.483 420 HZ3 TRP 56 HZ3 TRP 56 166.990 -1.834 10.737 421 HH2 TRP 56 HH2 TRP 56 167.749 -0.529 8.824 422 H GLU 57 HN GLU 57 171.197 -3.534 16.756 423 HA GLU 57 HA GLU 57 168.897 -5.183 16.537 424 1HB GLU 57 HB2 GLU 57 169.364 -5.757 18.912 425 2HB GLU 57 HB1 GLU 57 170.776 -5.904 17.874 426 1HG GLU 57 HG2 GLU 57 171.865 -4.181 18.871 427 2HG GLU 57 HG1 GLU 57 170.377 -3.329 19.280 428 H GLU 58 HN GLU 58 167.597 -3.112 15.980 429 HA GLU 58 HA GLU 58 165.968 -2.493 18.302 430 1HB GLU 58 HB2 GLU 58 167.824 -0.604 17.151 431 2HB GLU 58 HB1 GLU 58 166.175 -0.031 16.947 432 1HG GLU 58 HG2 GLU 58 167.211 -0.981 19.595 433 2HG GLU 58 HG1 GLU 58 167.416 0.682 19.045 434 H GLU 59 HN GLU 59 166.461 -1.598 14.884 435 HA GLU 59 HA GLU 59 163.652 -1.446 14.345 436 1HB GLU 59 HB2 GLU 59 165.882 -1.733 12.328 437 2HB GLU 59 HB1 GLU 59 164.280 -1.065 12.056 438 1HG GLU 59 HG2 GLU 59 165.396 0.875 12.241 439 2HG GLU 59 HG1 GLU 59 165.109 0.605 13.960 440 H ILE 60 HN ILE 60 166.203 -3.620 13.143 441 HA ILE 60 HA ILE 60 164.227 -5.621 12.432 442 HB ILE 60 HB ILE 60 166.133 -6.909 11.562 443 1HG1 ILE 60 HG12 ILE 60 167.803 -4.564 12.505 444 2HG1 ILE 60 HG11 ILE 60 167.819 -6.183 13.210 445 1HG2 ILE 60 HG21 ILE 60 166.972 -4.848 10.031 446 2HG2 ILE 60 HG22 ILE 60 165.497 -4.164 10.715 447 3HG2 ILE 60 HG23 ILE 60 165.430 -5.677 9.813 448 1HD1 ILE 60 HD11 ILE 60 168.373 -6.813 10.677 449 2HD1 ILE 60 HD12 ILE 60 169.610 -6.396 11.862 450 3HD1 ILE 60 HD13 ILE 60 169.041 -5.180 10.719 451 H GLY 61 HN GLY 61 166.411 -4.896 15.011 452 1HA GLY 61 HA2 GLY 61 166.321 -5.847 17.149 453 2HA GLY 61 HA1 GLY 61 165.439 -7.211 16.483 454 H VAL 62 HN VAL 62 166.983 -8.271 14.634 455 HA VAL 62 HA VAL 62 168.829 -9.802 15.971 456 HB VAL 62 HB VAL 62 167.878 -10.292 13.711 457 1HG1 VAL 62 HG11 VAL 62 169.098 -9.449 11.742 458 2HG1 VAL 62 HG12 VAL 62 170.002 -8.362 12.797 459 3HG1 VAL 62 HG13 VAL 62 168.256 -8.174 12.623 460 1HG2 VAL 62 HG21 VAL 62 169.571 -11.744 13.188 461 2HG2 VAL 62 HG22 VAL 62 170.021 -11.315 14.838 462 3HG2 VAL 62 HG23 VAL 62 170.834 -10.547 13.474 463 H LEU 63 HN LEU 63 171.122 -9.915 15.935 464 HA LEU 63 HA LEU 63 172.373 -7.355 16.287 465 1HB LEU 63 HB2 LEU 63 174.233 -8.498 17.137 466 2HB LEU 63 HB1 LEU 63 172.849 -9.433 17.659 467 HG LEU 63 HG LEU 63 174.502 -10.991 17.027 468 1HD1 LEU 63 HD11 LEU 63 172.497 -10.710 14.802 469 2HD1 LEU 63 HD12 LEU 63 172.343 -11.670 16.272 470 3HD1 LEU 63 HD13 LEU 63 173.527 -12.120 15.045 471 1HD2 LEU 63 HD21 LEU 63 175.416 -9.009 15.318 472 2HD2 LEU 63 HD22 LEU 63 174.906 -10.313 14.245 473 3HD2 LEU 63 HD23 LEU 63 176.087 -10.627 15.516 474 H ILE 64 HN ILE 64 173.756 -6.296 14.957 475 HA ILE 64 HA ILE 64 174.491 -7.622 12.433 476 HB ILE 64 HB ILE 64 173.641 -4.738 12.621 477 1HG1 ILE 64 HG12 ILE 64 171.757 -6.286 13.112 478 2HG1 ILE 64 HG11 ILE 64 171.534 -5.379 11.619 479 1HG2 ILE 64 HG21 ILE 64 174.196 -6.562 10.291 480 2HG2 ILE 64 HG22 ILE 64 175.145 -5.166 10.801 481 3HG2 ILE 64 HG23 ILE 64 173.518 -4.939 10.158 482 1HD1 ILE 64 HD11 ILE 64 172.719 -7.611 10.672 483 2HD1 ILE 64 HD12 ILE 64 170.975 -7.383 10.792 484 3HD1 ILE 64 HD13 ILE 64 171.839 -8.262 12.053 485 H ASP 65 HN ASP 65 176.623 -7.707 12.273 486 HA ASP 65 HA ASP 65 178.354 -6.066 13.834 487 1HB ASP 65 HB2 ASP 65 178.945 -7.982 11.573 488 2HB ASP 65 HB1 ASP 65 180.170 -7.221 12.584 489 HA PRO 66 HA PRO 66 178.394 -2.631 10.966 490 1HB PRO 66 HB2 PRO 66 180.467 -1.281 12.150 491 2HB PRO 66 HB1 PRO 66 178.787 -1.207 12.706 492 1HG PRO 66 HG2 PRO 66 181.065 -2.831 13.757 493 2HG PRO 66 HG1 PRO 66 179.789 -1.978 14.643 494 1HD PRO 66 HD2 PRO 66 179.737 -4.648 14.256 495 2HD PRO 66 HD1 PRO 66 178.257 -3.671 14.321 496 H GLU 67 HN GLU 67 179.709 -1.853 9.296 497 HA GLU 67 HA GLU 67 181.303 -1.927 7.679 498 1HB GLU 67 HB2 GLU 67 182.763 -2.502 10.143 499 2HB GLU 67 HB1 GLU 67 183.526 -3.200 8.720 500 1HG GLU 67 HG2 GLU 67 182.672 -0.453 8.306 501 2HG GLU 67 HG1 GLU 67 183.823 -0.626 9.630 502 H GLU 68 HN GLU 68 179.769 -4.539 8.825 503 HA GLU 68 HA GLU 68 181.149 -6.411 7.028 504 1HB GLU 68 HB2 GLU 68 179.458 -6.866 9.480 505 2HB GLU 68 HB1 GLU 68 179.833 -8.162 8.346 506 1HG GLU 68 HG2 GLU 68 182.177 -7.934 8.768 507 2HG GLU 68 HG1 GLU 68 181.898 -6.495 9.756 508 H TYR 69 HN TYR 69 178.305 -4.588 7.472 509 HA TYR 69 HA TYR 69 176.981 -6.107 5.322 510 1HB TYR 69 HB2 TYR 69 175.774 -4.797 7.756 511 2HB TYR 69 HB1 TYR 69 174.809 -5.236 6.341 512 HD1 TYR 69 HD1 TYR 69 177.411 -6.857 8.497 513 HD2 TYR 69 HD2 TYR 69 173.653 -7.213 6.536 514 HE1 TYR 69 HE1 TYR 69 177.176 -9.138 9.377 515 HE2 TYR 69 HE2 TYR 69 173.405 -9.496 7.414 516 HH TYR 69 HH TYR 69 175.986 -11.187 8.893 517 H ALA 70 HN ALA 70 175.673 -4.873 3.871 518 HA ALA 70 HA ALA 70 176.576 -2.081 3.643 519 1HB ALA 70 HB1 ALA 70 176.468 -2.244 1.345 520 2HB ALA 70 HB2 ALA 70 175.284 -3.550 1.386 521 3HB ALA 70 HB3 ALA 70 176.970 -3.876 1.787 522 H GLU 71 HN GLU 71 175.150 -0.538 4.055 523 HA GLU 71 HA GLU 71 172.295 -1.244 3.925 524 1HB GLU 71 HB2 GLU 71 171.911 0.480 5.647 525 2HB GLU 71 HB1 GLU 71 172.968 -0.808 6.202 526 1HG GLU 71 HG2 GLU 71 174.888 0.569 6.011 527 2HG GLU 71 HG1 GLU 71 173.980 1.818 5.162 528 H VAL 72 HN VAL 72 170.837 0.146 3.022 529 HA VAL 72 HA VAL 72 171.810 2.622 1.822 530 HB VAL 72 HB VAL 72 170.972 0.211 0.314 531 1HG1 VAL 72 HG11 VAL 72 170.246 1.772 -1.600 532 2HG1 VAL 72 HG12 VAL 72 169.939 2.953 -0.327 533 3HG1 VAL 72 HG13 VAL 72 169.079 1.413 -0.327 534 1HG2 VAL 72 HG21 VAL 72 172.668 0.817 -1.117 535 2HG2 VAL 72 HG22 VAL 72 173.251 1.477 0.411 536 3HG2 VAL 72 HG23 VAL 72 172.487 2.537 -0.773 537 H TRP 73 HN TRP 73 170.252 4.178 1.572 538 HA TRP 73 HA TRP 73 167.587 3.491 2.628 539 1HB TRP 73 HB2 TRP 73 169.259 5.982 2.934 540 2HB TRP 73 HB1 TRP 73 167.523 5.995 3.224 541 HD1 TRP 73 HD1 TRP 73 168.554 2.739 4.385 542 HE1 TRP 73 HE1 TRP 73 168.986 2.714 6.921 543 HE3 TRP 73 HE3 TRP 73 168.817 7.776 5.222 544 HZ2 TRP 73 HZ2 TRP 73 169.381 4.577 8.993 545 HZ3 TRP 73 HZ3 TRP 73 169.226 8.571 7.512 546 HH2 TRP 73 HH2 TRP 73 169.503 7.001 9.360 547 H VAL 74 HN VAL 74 165.781 4.195 1.542 548 HA VAL 74 HA VAL 74 166.245 5.642 -0.983 549 HB VAL 74 HB VAL 74 164.321 3.353 -0.555 550 1HG1 VAL 74 HG11 VAL 74 164.390 3.721 -3.220 551 2HG1 VAL 74 HG12 VAL 74 164.596 5.385 -2.672 552 3HG1 VAL 74 HG13 VAL 74 163.186 4.457 -2.161 553 1HG2 VAL 74 HG21 VAL 74 166.001 2.016 -1.124 554 2HG2 VAL 74 HG22 VAL 74 167.081 3.399 -1.282 555 3HG2 VAL 74 HG23 VAL 74 166.132 2.859 -2.667 556 H GLY 75 HN GLY 75 165.292 7.545 -0.903 557 1HA GLY 75 HA2 GLY 75 162.511 7.725 -0.024 558 2HA GLY 75 HA1 GLY 75 163.673 8.697 0.860 559 H LEU 76 HN LEU 76 162.811 10.642 0.277 560 HA LEU 76 HA LEU 76 163.075 11.377 -2.572 561 1HB LEU 76 HB2 LEU 76 161.140 12.629 -0.597 562 2HB LEU 76 HB1 LEU 76 161.275 13.004 -2.297 563 HG LEU 76 HG LEU 76 159.365 11.671 -2.112 564 1HD1 LEU 76 HD11 LEU 76 161.698 10.020 -3.038 565 2HD1 LEU 76 HD12 LEU 76 160.592 10.988 -4.011 566 3HD1 LEU 76 HD13 LEU 76 160.021 9.512 -3.231 567 1HD2 LEU 76 HD21 LEU 76 159.056 10.379 -0.339 568 2HD2 LEU 76 HD22 LEU 76 160.766 10.482 0.077 569 3HD2 LEU 76 HD23 LEU 76 160.198 9.216 -1.013 570 H VAL 77 HN VAL 77 163.861 13.592 -3.012 571 HA VAL 77 HA VAL 77 164.867 15.105 -0.775 572 HB VAL 77 HB VAL 77 167.043 14.671 -2.689 573 1HG1 VAL 77 HG11 VAL 77 166.799 15.762 -0.246 574 2HG1 VAL 77 HG12 VAL 77 168.322 15.162 -0.901 575 3HG1 VAL 77 HG13 VAL 77 167.375 14.156 0.192 576 1HG2 VAL 77 HG21 VAL 77 165.951 12.360 -2.461 577 2HG2 VAL 77 HG22 VAL 77 166.527 12.396 -0.796 578 3HG2 VAL 77 HG23 VAL 77 167.676 12.488 -2.130 579 H ASN 78 HN ASN 78 166.626 16.754 -2.070 580 HA ASN 78 HA ASN 78 164.901 18.032 -4.080 581 1HB ASN 78 HB2 ASN 78 167.082 19.384 -2.490 582 2HB ASN 78 HB1 ASN 78 165.774 20.141 -3.393 583 1HD2 ASN 78 HD21 ASN 78 166.563 18.255 -0.548 584 2HD2 ASN 78 HD22 ASN 78 165.158 18.685 0.359 585 H GLU 79 HN GLU 79 166.974 19.871 -4.939 586 HA GLU 79 HA GLU 79 168.298 18.121 -6.831 587 1HB GLU 79 HB2 GLU 79 167.883 21.072 -6.596 588 2HB GLU 79 HB1 GLU 79 169.168 20.470 -7.634 589 1HG GLU 79 HG2 GLU 79 166.659 19.084 -8.074 590 2HG GLU 79 HG1 GLU 79 166.522 20.824 -8.323 591 H GLN 80 HN GLN 80 169.052 19.415 -3.821 592 HA GLN 80 HA GLN 80 171.818 19.967 -4.208 593 1HB GLN 80 HB2 GLN 80 171.917 19.880 -1.709 594 2HB GLN 80 HB1 GLN 80 170.704 20.985 -2.351 595 1HG GLN 80 HG2 GLN 80 168.953 19.388 -1.890 596 2HG GLN 80 HG1 GLN 80 170.140 18.202 -1.349 597 1HE2 GLN 80 HE21 GLN 80 171.779 19.570 0.248 598 2HE2 GLN 80 HE22 GLN 80 170.929 20.237 1.596 599 H ASP 81 HN ASP 81 170.128 17.072 -4.203 600 HA ASP 81 HA ASP 81 170.768 14.894 -4.214 601 1HB ASP 81 HB2 ASP 81 172.827 16.176 -5.400 602 2HB ASP 81 HB1 ASP 81 173.667 15.475 -4.019 603 H GLU 82 HN GLU 82 169.868 14.841 -2.061 604 HA GLU 82 HA GLU 82 171.823 13.907 -0.122 605 1HB GLU 82 HB2 GLU 82 171.035 16.486 0.084 606 2HB GLU 82 HB1 GLU 82 169.762 15.707 1.012 607 1HG GLU 82 HG2 GLU 82 171.101 15.584 2.762 608 2HG GLU 82 HG1 GLU 82 172.231 14.594 1.838 609 H MET 83 HN MET 83 169.664 13.995 1.982 610 HA MET 83 HA MET 83 167.675 12.205 0.832 611 1HB MET 83 HB2 MET 83 169.605 10.825 1.676 612 2HB MET 83 HB1 MET 83 169.224 11.396 3.292 613 1HG MET 83 HG2 MET 83 168.308 9.163 2.782 614 2HG MET 83 HG1 MET 83 167.078 10.342 3.231 615 1HE MET 83 HE1 MET 83 169.083 9.374 0.048 616 2HE MET 83 HE2 MET 83 167.836 8.714 -1.010 617 3HE MET 83 HE3 MET 83 168.304 7.844 0.451 618 H ASP 84 HN ASP 84 168.487 12.737 4.245 619 HA ASP 84 HA ASP 84 167.147 13.399 5.978 620 1HB ASP 84 HB2 ASP 84 167.808 15.539 4.357 621 2HB ASP 84 HB1 ASP 84 166.072 15.731 4.583 622 H ASP 85 HN ASP 85 165.825 11.509 4.410 623 HA ASP 85 HA ASP 85 163.245 11.575 5.305 624 1HB ASP 85 HB2 ASP 85 163.585 13.242 2.914 625 2HB ASP 85 HB1 ASP 85 162.326 12.012 2.737 626 H VAL 86 HN VAL 86 164.160 9.436 5.490 627 HA VAL 86 HA VAL 86 164.402 7.861 3.060 628 HB VAL 86 HB VAL 86 166.048 7.525 4.852 629 1HG1 VAL 86 HG11 VAL 86 165.374 6.410 6.944 630 2HG1 VAL 86 HG12 VAL 86 163.684 6.596 6.476 631 3HG1 VAL 86 HG13 VAL 86 164.677 8.022 6.780 632 1HG2 VAL 86 HG21 VAL 86 165.442 5.675 3.319 633 2HG2 VAL 86 HG22 VAL 86 164.291 5.098 4.523 634 3HG2 VAL 86 HG23 VAL 86 166.015 5.119 4.892 635 H PHE 87 HN PHE 87 162.973 6.387 2.339 636 HA PHE 87 HA PHE 87 160.402 6.199 3.712 637 1HB PHE 87 HB2 PHE 87 161.323 5.942 0.937 638 2HB PHE 87 HB1 PHE 87 160.186 4.688 1.405 639 HD1 PHE 87 HD1 PHE 87 159.894 6.960 -0.661 640 HD2 PHE 87 HD2 PHE 87 158.638 6.528 3.382 641 HE1 PHE 87 HE1 PHE 87 158.033 8.511 -1.078 642 HE2 PHE 87 HE2 PHE 87 156.778 8.079 2.975 643 HZ PHE 87 HZ PHE 87 156.469 9.072 0.742 644 H ALA 88 HN ALA 88 162.961 4.158 2.408 645 HA ALA 88 HA ALA 88 162.259 2.067 4.339 646 1HB ALA 88 HB1 ALA 88 162.292 0.333 2.767 647 2HB ALA 88 HB2 ALA 88 163.062 1.337 1.537 648 3HB ALA 88 HB3 ALA 88 161.371 1.604 1.963 649 H LYS 89 HN LYS 89 164.139 0.504 4.655 650 HA LYS 89 HA LYS 89 166.718 1.637 3.877 651 1HB LYS 89 HB2 LYS 89 166.226 0.686 6.695 652 2HB LYS 89 HB1 LYS 89 167.570 1.636 6.086 653 1HG LYS 89 HG2 LYS 89 166.499 3.580 6.414 654 2HG LYS 89 HG1 LYS 89 164.963 2.953 5.819 655 1HD LYS 89 HD2 LYS 89 164.810 3.572 8.170 656 2HD LYS 89 HD1 LYS 89 164.582 1.837 7.954 657 1HE LYS 89 HE2 LYS 89 167.257 1.949 8.335 658 2HE LYS 89 HE1 LYS 89 166.731 3.319 9.312 659 1HZ LYS 89 HZ1 LYS 89 164.990 1.487 10.099 660 2HZ LYS 89 HZ2 LYS 89 166.488 1.715 10.852 661 3HZ LYS 89 HZ3 LYS 89 166.293 0.476 9.719 662 H PHE 90 HN PHE 90 168.263 0.069 3.497 663 HA PHE 90 HA PHE 90 167.338 -2.708 3.858 664 1HB PHE 90 HB2 PHE 90 169.041 -1.633 1.607 665 2HB PHE 90 HB1 PHE 90 168.438 -3.279 1.768 666 HD1 PHE 90 HD1 PHE 90 166.640 -3.823 0.472 667 HD2 PHE 90 HD2 PHE 90 167.059 0.198 1.801 668 HE1 PHE 90 HE1 PHE 90 164.606 -3.202 -0.761 669 HE2 PHE 90 HE2 PHE 90 165.022 0.820 0.576 670 HZ PHE 90 HZ PHE 90 163.789 -0.882 -0.704 671 H LEU 91 HN LEU 91 168.860 -4.337 4.123 672 HA LEU 91 HA LEU 91 171.596 -3.581 4.844 673 1HB LEU 91 HB2 LEU 91 169.847 -5.316 6.590 674 2HB LEU 91 HB1 LEU 91 171.529 -4.914 6.879 675 HG LEU 91 HG LEU 91 169.248 -2.936 6.898 676 1HD1 LEU 91 HD11 LEU 91 168.970 -3.307 9.080 677 2HD1 LEU 91 HD12 LEU 91 170.705 -3.393 9.377 678 3HD1 LEU 91 HD13 LEU 91 169.836 -4.817 8.814 679 1HD2 LEU 91 HD21 LEU 91 170.750 -1.293 7.064 680 2HD2 LEU 91 HD22 LEU 91 171.921 -2.461 6.454 681 3HD2 LEU 91 HD23 LEU 91 171.751 -2.208 8.191 682 H ILE 92 HN ILE 92 172.945 -4.883 3.762 683 HA ILE 92 HA ILE 92 172.133 -7.670 3.314 684 HB ILE 92 HB ILE 92 173.404 -7.336 1.007 685 1HG1 ILE 92 HG12 ILE 92 172.362 -4.576 1.681 686 2HG1 ILE 92 HG11 ILE 92 174.012 -5.025 1.268 687 1HG2 ILE 92 HG21 ILE 92 171.161 -8.167 1.168 688 2HG2 ILE 92 HG22 ILE 92 171.188 -6.889 -0.047 689 3HG2 ILE 92 HG23 ILE 92 170.542 -6.564 1.562 690 1HD1 ILE 92 HD11 ILE 92 171.635 -5.094 -0.574 691 2HD1 ILE 92 HD12 ILE 92 173.275 -5.584 -0.999 692 3HD1 ILE 92 HD13 ILE 92 172.936 -3.904 -0.582 693 H SER 93 HN SER 93 173.622 -9.065 3.887 694 HA SER 93 HA SER 93 176.058 -8.419 5.045 695 1HB SER 93 HB2 SER 93 176.481 -10.723 5.180 696 2HB SER 93 HB1 SER 93 174.721 -10.641 5.104 697 HG SER 93 HG SER 93 174.868 -11.102 2.876 698 H HIS 94 HN HIS 94 177.974 -7.815 4.269 699 HA HIS 94 HA HIS 94 178.452 -7.244 1.591 700 1HB HIS 94 HB2 HIS 94 180.131 -7.435 4.030 701 2HB HIS 94 HB1 HIS 94 180.979 -7.492 2.486 702 HD1 HIS 94 HD1 HIS 94 180.951 -5.356 1.048 703 HD2 HIS 94 HD2 HIS 94 179.002 -4.962 4.687 704 HE1 HIS 94 HE1 HIS 94 180.610 -2.883 1.360 705 HE2 HIS 94 HE2 HIS 94 179.510 -2.665 3.616 706 H ARG 95 HN ARG 95 179.319 -10.121 3.461 707 HA ARG 95 HA ARG 95 180.926 -11.396 1.580 708 1HB ARG 95 HB2 ARG 95 180.238 -13.511 2.724 709 2HB ARG 95 HB1 ARG 95 180.801 -12.252 3.814 710 1HG ARG 95 HG2 ARG 95 178.500 -11.697 4.383 711 2HG ARG 95 HG1 ARG 95 177.920 -12.936 3.269 712 1HD ARG 95 HD2 ARG 95 178.996 -14.664 4.583 713 2HD ARG 95 HD1 ARG 95 179.686 -13.450 5.658 714 HE ARG 95 HE ARG 95 177.015 -13.000 5.814 715 1HH1 ARG 95 HH11 ARG 95 179.016 -15.825 6.250 716 2HH1 ARG 95 HH12 ARG 95 177.954 -16.552 7.409 717 1HH2 ARG 95 HH21 ARG 95 175.618 -13.954 7.338 718 2HH2 ARG 95 HH22 ARG 95 176.025 -15.491 8.026 719 H GLU 96 HN GLU 96 180.555 -12.827 -0.079 720 HA GLU 96 HA GLU 96 178.105 -12.479 -1.514 721 1HB GLU 96 HB2 GLU 96 180.609 -12.939 -2.319 722 2HB GLU 96 HB1 GLU 96 180.035 -14.601 -2.300 723 1HG GLU 96 HG2 GLU 96 178.234 -12.706 -3.620 724 2HG GLU 96 HG1 GLU 96 179.805 -12.900 -4.397 725 H GLU 97 HN GLU 97 179.490 -14.983 0.503 726 HA GLU 97 HA GLU 97 177.692 -17.054 -0.217 727 1HB GLU 97 HB2 GLU 97 179.688 -16.585 1.916 728 2HB GLU 97 HB1 GLU 97 178.408 -17.725 2.307 729 1HG GLU 97 HG2 GLU 97 178.986 -19.121 0.466 730 2HG GLU 97 HG1 GLU 97 180.112 -17.918 -0.161 731 H ASP 98 HN ASP 98 175.935 -17.910 1.029 732 HA ASP 98 HA ASP 98 174.008 -17.800 2.233 733 1HB ASP 98 HB2 ASP 98 175.903 -16.321 3.802 734 2HB ASP 98 HB1 ASP 98 174.332 -15.533 3.906 735 H ARG 99 HN ARG 99 175.010 -14.383 2.008 736 HA ARG 99 HA ARG 99 174.030 -12.569 1.052 737 1HB ARG 99 HB2 ARG 99 173.699 -14.622 -0.803 738 2HB ARG 99 HB1 ARG 99 172.083 -13.943 -0.637 739 1HG ARG 99 HG2 ARG 99 174.576 -12.675 -1.685 740 2HG ARG 99 HG1 ARG 99 172.956 -12.721 -2.378 741 1HD ARG 99 HD2 ARG 99 172.551 -11.360 -0.034 742 2HD ARG 99 HD1 ARG 99 174.154 -10.804 -0.522 743 HE ARG 99 HE ARG 99 173.197 -9.681 -2.279 744 1HH1 ARG 99 HH11 ARG 99 170.858 -11.892 -0.929 745 2HH1 ARG 99 HH12 ARG 99 169.539 -11.255 -1.853 746 1HH2 ARG 99 HH21 ARG 99 171.463 -8.842 -3.494 747 2HH2 ARG 99 HH22 ARG 99 169.882 -9.524 -3.309 748 H GLU 100 HN GLU 100 173.045 -12.067 3.054 749 HA GLU 100 HA GLU 100 170.174 -12.707 3.204 750 1HB GLU 100 HB2 GLU 100 172.178 -12.058 5.362 751 2HB GLU 100 HB1 GLU 100 170.443 -12.046 5.646 752 1HG GLU 100 HG2 GLU 100 172.005 -14.423 4.663 753 2HG GLU 100 HG1 GLU 100 171.542 -14.141 6.341 754 H PHE 101 HN PHE 101 168.805 -11.109 2.813 755 HA PHE 101 HA PHE 101 169.749 -8.339 3.148 756 1HB PHE 101 HB2 PHE 101 168.378 -7.681 1.273 757 2HB PHE 101 HB1 PHE 101 169.407 -9.019 0.771 758 HD1 PHE 101 HD1 PHE 101 168.390 -11.354 0.749 759 HD2 PHE 101 HD2 PHE 101 166.069 -7.797 1.025 760 HE1 PHE 101 HE1 PHE 101 166.405 -12.595 -0.009 761 HE2 PHE 101 HE2 PHE 101 164.080 -9.031 0.268 762 HZ PHE 101 HZ PHE 101 164.246 -11.434 -0.249 763 H HIS 102 HN HIS 102 168.451 -6.910 4.216 764 HA HIS 102 HA HIS 102 165.770 -7.777 4.983 765 1HB HIS 102 HB2 HIS 102 166.562 -6.577 7.309 766 2HB HIS 102 HB1 HIS 102 166.488 -8.312 7.049 767 HD1 HIS 102 HD1 HIS 102 168.541 -6.291 8.760 768 HD2 HIS 102 HD2 HIS 102 169.336 -8.796 5.546 769 HE1 HIS 102 HE1 HIS 102 171.000 -6.799 8.894 770 HE2 HIS 102 HE2 HIS 102 171.435 -8.396 6.996 771 H VAL 103 HN VAL 103 164.325 -6.231 4.809 772 HA VAL 103 HA VAL 103 165.281 -3.445 4.630 773 HB VAL 103 HB VAL 103 164.604 -4.333 2.424 774 1HG1 VAL 103 HG11 VAL 103 162.878 -5.818 2.651 775 2HG1 VAL 103 HG12 VAL 103 161.982 -4.372 2.188 776 3HG1 VAL 103 HG13 VAL 103 162.061 -4.854 3.880 777 1HG2 VAL 103 HG21 VAL 103 162.923 -2.452 1.958 778 2HG2 VAL 103 HG22 VAL 103 164.510 -2.010 2.587 779 3HG2 VAL 103 HG23 VAL 103 163.115 -2.049 3.664 780 H ILE 104 HN ILE 104 164.155 -1.851 5.594 781 HA ILE 104 HA ILE 104 161.806 -2.670 7.177 782 HB ILE 104 HB ILE 104 162.467 -0.580 8.586 783 1HG1 ILE 104 HG12 ILE 104 164.399 -0.117 6.915 784 2HG1 ILE 104 HG11 ILE 104 164.707 0.062 8.636 785 1HG2 ILE 104 HG21 ILE 104 162.343 -2.933 9.311 786 2HG2 ILE 104 HG22 ILE 104 163.598 -2.006 10.137 787 3HG2 ILE 104 HG23 ILE 104 164.035 -3.133 8.851 788 1HD1 ILE 104 HD11 ILE 104 165.287 -2.582 7.479 789 2HD1 ILE 104 HD12 ILE 104 166.162 -1.647 8.690 790 3HD1 ILE 104 HD13 ILE 104 166.329 -1.248 6.979 791 H TRP 105 HN TRP 105 159.976 -1.581 6.924 792 HA TRP 105 HA TRP 105 160.042 0.786 5.170 793 1HB TRP 105 HB2 TRP 105 157.596 -0.882 5.731 794 2HB TRP 105 HB1 TRP 105 157.852 0.270 4.428 795 HD1 TRP 105 HD1 TRP 105 158.205 -3.367 5.264 796 HE1 TRP 105 HE1 TRP 105 159.149 -4.633 3.234 797 HE3 TRP 105 HE3 TRP 105 159.651 0.620 2.409 798 HZ2 TRP 105 HZ2 TRP 105 160.325 -4.024 0.748 799 HZ3 TRP 105 HZ3 TRP 105 160.661 0.194 0.222 800 HH2 TRP 105 HH2 TRP 105 161.007 -2.082 -0.594 801 H LYS 106 HN LYS 106 158.761 2.589 5.663 802 HA LYS 106 HA LYS 106 158.687 3.327 8.367 803 1HB LYS 106 HB2 LYS 106 157.868 4.487 5.796 804 2HB LYS 106 HB1 LYS 106 156.933 5.058 7.172 805 1HG LYS 106 HG2 LYS 106 159.307 5.390 8.242 806 2HG LYS 106 HG1 LYS 106 159.818 5.427 6.553 807 1HD LYS 106 HD2 LYS 106 159.375 7.642 6.834 808 2HD LYS 106 HD1 LYS 106 157.760 7.099 6.372 809 1HE LYS 106 HE2 LYS 106 158.341 6.899 9.240 810 2HE LYS 106 HE1 LYS 106 158.345 8.545 8.607 811 1HZ LYS 106 HZ1 LYS 106 156.138 6.672 8.893 812 2HZ LYS 106 HZ2 LYS 106 156.128 7.621 7.494 813 3HZ LYS 106 HZ3 LYS 106 156.151 8.360 9.015 814 H LYS 107 HN LYS 107 156.791 3.949 9.632 815 HA LYS 107 HA LYS 107 154.422 2.306 9.035 816 1HB LYS 107 HB2 LYS 107 154.206 1.748 11.387 817 2HB LYS 107 HB1 LYS 107 155.786 1.248 10.800 818 1HG LYS 107 HG2 LYS 107 156.866 3.043 11.900 819 2HG LYS 107 HG1 LYS 107 155.331 3.838 12.252 820 1HD LYS 107 HD2 LYS 107 155.511 2.848 14.259 821 2HD LYS 107 HD1 LYS 107 154.969 1.397 13.414 822 1HE LYS 107 HE2 LYS 107 156.856 0.576 14.398 823 2HE LYS 107 HE1 LYS 107 157.550 1.173 12.891 824 1HZ LYS 107 HZ1 LYS 107 158.199 3.199 14.027 825 2HZ LYS 107 HZ2 LYS 107 158.855 1.851 14.811 826 3HZ LYS 107 HZ3 LYS 107 157.515 2.643 15.472 Start of MODEL 6 1 H MET 1 HT1 MET 1 191.786 -21.554 6.201 2 HA MET 1 HA MET 1 191.322 -19.649 7.581 3 1HB MET 1 HB2 MET 1 193.241 -18.594 8.741 4 2HB MET 1 HB1 MET 1 192.830 -20.168 9.407 5 1HG MET 1 HG2 MET 1 194.808 -20.406 7.322 6 2HG MET 1 HG1 MET 1 195.332 -19.285 8.577 7 1HE MET 1 HE1 MET 1 195.703 -22.295 7.245 8 2HE MET 1 HE2 MET 1 194.595 -23.396 8.064 9 3HE MET 1 HE3 MET 1 196.300 -23.363 8.515 10 H THR 2 HN THR 2 190.975 -19.199 5.336 11 HA THR 2 HA THR 2 193.020 -17.426 4.252 12 HB THR 2 HB THR 2 193.077 -19.944 3.309 13 HG1 THR 2 HG1 THR 2 193.229 -17.707 1.573 14 1HG2 THR 2 HG21 THR 2 191.432 -18.799 1.135 15 2HG2 THR 2 HG22 THR 2 190.585 -19.488 2.521 16 3HG2 THR 2 HG23 THR 2 191.712 -20.479 1.595 17 H THR 3 HN THR 3 190.282 -17.253 5.442 18 HA THR 3 HA THR 3 188.540 -16.485 3.298 19 HB THR 3 HB THR 3 188.397 -16.396 6.297 20 HG1 THR 3 HG1 THR 3 187.677 -18.279 5.593 21 1HG2 THR 3 HG21 THR 3 186.199 -15.434 6.273 22 2HG2 THR 3 HG22 THR 3 186.258 -15.231 4.523 23 3HG2 THR 3 HG23 THR 3 187.337 -14.293 5.558 24 H GLU 4 HN GLU 4 188.648 -14.639 2.224 25 HA GLU 4 HA GLU 4 189.896 -12.311 3.527 26 1HB GLU 4 HB2 GLU 4 191.032 -13.233 1.485 27 2HB GLU 4 HB1 GLU 4 189.598 -12.808 0.561 28 1HG GLU 4 HG2 GLU 4 191.304 -11.125 0.290 29 2HG GLU 4 HG1 GLU 4 189.919 -10.456 1.153 30 H ILE 5 HN ILE 5 188.298 -11.107 4.355 31 HA ILE 5 HA ILE 5 185.692 -10.940 3.226 32 HB ILE 5 HB ILE 5 186.869 -8.977 5.180 33 1HG1 ILE 5 HG12 ILE 5 187.331 -11.187 6.063 34 2HG1 ILE 5 HG11 ILE 5 185.995 -10.479 6.964 35 1HG2 ILE 5 HG21 ILE 5 184.818 -8.130 4.703 36 2HG2 ILE 5 HG22 ILE 5 184.344 -9.283 5.951 37 3HG2 ILE 5 HG23 ILE 5 184.153 -9.699 4.248 38 1HD1 ILE 5 HD11 ILE 5 185.150 -12.550 6.639 39 2HD1 ILE 5 HD12 ILE 5 186.035 -12.798 5.134 40 3HD1 ILE 5 HD13 ILE 5 184.583 -11.798 5.148 41 H LYS 6 HN LYS 6 184.921 -9.640 1.707 42 HA LYS 6 HA LYS 6 186.663 -7.536 0.642 43 1HB LYS 6 HB2 LYS 6 185.338 -7.654 -1.371 44 2HB LYS 6 HB1 LYS 6 185.807 -9.283 -0.907 45 1HG LYS 6 HG2 LYS 6 183.693 -9.945 -0.642 46 2HG LYS 6 HG1 LYS 6 183.231 -8.457 0.186 47 1HD LYS 6 HD2 LYS 6 181.977 -8.495 -1.814 48 2HD LYS 6 HD1 LYS 6 183.281 -7.339 -2.088 49 1HE LYS 6 HE2 LYS 6 183.920 -10.105 -2.828 50 2HE LYS 6 HE1 LYS 6 182.621 -9.375 -3.771 51 1HZ LYS 6 HZ1 LYS 6 185.173 -9.093 -4.385 52 2HZ LYS 6 HZ2 LYS 6 185.006 -7.755 -3.365 53 3HZ LYS 6 HZ3 LYS 6 184.018 -7.905 -4.729 54 H LYS 7 HN LYS 7 185.524 -5.581 -0.194 55 HA LYS 7 HA LYS 7 183.389 -4.763 1.640 56 1HB LYS 7 HB2 LYS 7 184.430 -2.744 2.094 57 2HB LYS 7 HB1 LYS 7 185.742 -3.910 2.108 58 1HG LYS 7 HG2 LYS 7 185.065 -2.010 -0.123 59 2HG LYS 7 HG1 LYS 7 186.418 -1.909 1.001 60 1HD LYS 7 HD2 LYS 7 185.973 -4.059 -1.058 61 2HD LYS 7 HD1 LYS 7 187.179 -2.777 -1.124 62 1HE LYS 7 HE2 LYS 7 188.280 -3.670 0.843 63 2HE LYS 7 HE1 LYS 7 187.041 -4.914 1.000 64 1HZ LYS 7 HZ1 LYS 7 188.980 -5.834 -0.042 65 2HZ LYS 7 HZ2 LYS 7 188.982 -4.629 -1.229 66 3HZ LYS 7 HZ3 LYS 7 187.733 -5.769 -1.185 67 H LEU 8 HN LEU 8 181.590 -4.306 0.596 68 HA LEU 8 HA LEU 8 181.363 -4.024 -2.177 69 1HB LEU 8 HB2 LEU 8 179.620 -4.001 0.100 70 2HB LEU 8 HB1 LEU 8 179.173 -2.691 -0.976 71 HG LEU 8 HG LEU 8 179.485 -5.544 -1.897 72 1HD1 LEU 8 HD11 LEU 8 177.152 -5.847 -1.686 73 2HD1 LEU 8 HD12 LEU 8 176.894 -4.151 -1.277 74 3HD1 LEU 8 HD13 LEU 8 177.710 -5.220 -0.135 75 1HD2 LEU 8 HD21 LEU 8 178.082 -4.713 -3.778 76 2HD2 LEU 8 HD22 LEU 8 179.672 -3.956 -3.687 77 3HD2 LEU 8 HD23 LEU 8 178.247 -3.083 -3.124 78 H ASP 9 HN ASP 9 180.642 -2.154 -3.404 79 HA ASP 9 HA ASP 9 182.042 0.265 -2.535 80 1HB ASP 9 HB2 ASP 9 181.636 -1.051 -5.074 81 2HB ASP 9 HB1 ASP 9 181.099 0.623 -5.162 82 HA PRO 10 HA PRO 10 178.478 2.723 -1.769 83 1HB PRO 10 HB2 PRO 10 178.964 4.973 -3.309 84 2HB PRO 10 HB1 PRO 10 179.661 4.672 -1.709 85 1HG PRO 10 HG2 PRO 10 180.858 4.242 -4.415 86 2HG PRO 10 HG1 PRO 10 181.615 4.871 -2.940 87 1HD PRO 10 HD2 PRO 10 182.018 2.349 -3.756 88 2HD PRO 10 HD1 PRO 10 181.893 2.755 -2.032 89 H ASP 11 HN ASP 11 179.340 3.216 -5.201 90 HA ASP 11 HA ASP 11 176.693 3.549 -6.086 91 1HB ASP 11 HB2 ASP 11 179.139 3.883 -7.223 92 2HB ASP 11 HB1 ASP 11 178.606 2.409 -8.026 93 H THR 12 HN THR 12 178.660 0.705 -5.590 94 HA THR 12 HA THR 12 177.119 -1.120 -7.091 95 HB THR 12 HB THR 12 178.668 -1.816 -4.600 96 HG1 THR 12 HG1 THR 12 179.688 -1.387 -7.210 97 1HG2 THR 12 HG21 THR 12 179.246 -3.840 -5.854 98 2HG2 THR 12 HG22 THR 12 178.198 -3.308 -7.169 99 3HG2 THR 12 HG23 THR 12 177.509 -3.685 -5.590 100 H ALA 13 HN ALA 13 177.039 -0.243 -3.643 101 HA ALA 13 HA ALA 13 174.954 -1.999 -2.924 102 1HB ALA 13 HB1 ALA 13 175.956 -1.267 -1.033 103 2HB ALA 13 HB2 ALA 13 174.678 -0.053 -1.099 104 3HB ALA 13 HB3 ALA 13 176.292 0.331 -1.699 105 H ILE 14 HN ILE 14 174.914 1.467 -3.731 106 HA ILE 14 HA ILE 14 172.244 2.027 -3.439 107 HB ILE 14 HB ILE 14 174.165 3.041 -5.535 108 1HG1 ILE 14 HG12 ILE 14 173.151 4.412 -3.044 109 2HG1 ILE 14 HG11 ILE 14 174.622 3.444 -3.071 110 1HG2 ILE 14 HG21 ILE 14 171.426 4.071 -4.817 111 2HG2 ILE 14 HG22 ILE 14 171.937 3.400 -6.366 112 3HG2 ILE 14 HG23 ILE 14 172.599 4.937 -5.809 113 1HD1 ILE 14 HD11 ILE 14 174.791 5.996 -3.342 114 2HD1 ILE 14 HD12 ILE 14 174.257 5.697 -4.996 115 3HD1 ILE 14 HD13 ILE 14 175.746 4.961 -4.403 116 H ASP 15 HN ASP 15 173.832 0.372 -6.101 117 HA ASP 15 HA ASP 15 171.564 0.323 -7.822 118 1HB ASP 15 HB2 ASP 15 174.222 -0.235 -8.142 119 2HB ASP 15 HB1 ASP 15 173.525 -1.852 -8.134 120 H ILE 16 HN ILE 16 172.875 -1.865 -5.390 121 HA ILE 16 HA ILE 16 171.136 -4.035 -5.941 122 HB ILE 16 HB ILE 16 172.481 -3.382 -3.315 123 1HG1 ILE 16 HG12 ILE 16 173.602 -5.401 -5.183 124 2HG1 ILE 16 HG11 ILE 16 173.808 -3.708 -5.630 125 1HG2 ILE 16 HG21 ILE 16 172.052 -6.169 -4.128 126 2HG2 ILE 16 HG22 ILE 16 170.583 -5.260 -3.776 127 3HG2 ILE 16 HG23 ILE 16 171.847 -5.401 -2.555 128 1HD1 ILE 16 HD11 ILE 16 175.280 -5.260 -3.761 129 2HD1 ILE 16 HD12 ILE 16 174.490 -3.936 -2.905 130 3HD1 ILE 16 HD13 ILE 16 175.547 -3.595 -4.275 131 H ALA 17 HN ALA 17 171.101 -1.786 -3.149 132 HA ALA 17 HA ALA 17 168.672 -2.469 -2.085 133 1HB ALA 17 HB1 ALA 17 169.920 -0.971 -0.826 134 2HB ALA 17 HB2 ALA 17 168.573 0.016 -1.392 135 3HB ALA 17 HB3 ALA 17 170.145 0.135 -2.182 136 H TYR 18 HN TYR 18 169.303 -0.291 -4.797 137 HA TYR 18 HA TYR 18 166.749 0.765 -5.135 138 1HB TYR 18 HB2 TYR 18 168.900 1.382 -6.375 139 2HB TYR 18 HB1 TYR 18 168.559 0.015 -7.430 140 HD1 TYR 18 HD1 TYR 18 167.236 0.330 -9.313 141 HD2 TYR 18 HD2 TYR 18 166.998 3.144 -6.130 142 HE1 TYR 18 HE1 TYR 18 165.775 1.753 -10.687 143 HE2 TYR 18 HE2 TYR 18 165.536 4.574 -7.496 144 HH TYR 18 HH TYR 18 165.284 4.559 -10.554 145 H ASP 19 HN ASP 19 168.179 -2.143 -6.607 146 HA ASP 19 HA ASP 19 165.819 -2.959 -7.934 147 1HB ASP 19 HB2 ASP 19 168.438 -3.776 -7.958 148 2HB ASP 19 HB1 ASP 19 167.647 -5.116 -7.122 149 H ILE 20 HN ILE 20 167.027 -3.406 -4.695 150 HA ILE 20 HA ILE 20 165.384 -5.564 -3.921 151 HB ILE 20 HB ILE 20 166.606 -3.365 -2.246 152 1HG1 ILE 20 HG12 ILE 20 167.480 -6.239 -2.593 153 2HG1 ILE 20 HG11 ILE 20 168.149 -4.898 -3.526 154 1HG2 ILE 20 HG21 ILE 20 164.721 -4.341 -1.067 155 2HG2 ILE 20 HG22 ILE 20 166.237 -4.857 -0.327 156 3HG2 ILE 20 HG23 ILE 20 165.344 -5.963 -1.372 157 1HD1 ILE 20 HD11 ILE 20 168.201 -4.439 -0.652 158 2HD1 ILE 20 HD12 ILE 20 169.479 -4.270 -1.856 159 3HD1 ILE 20 HD13 ILE 20 169.128 -5.851 -1.159 160 H PHE 21 HN PHE 21 164.913 -2.035 -3.639 161 HA PHE 21 HA PHE 21 162.428 -2.210 -2.324 162 1HB PHE 21 HB2 PHE 21 163.358 -0.083 -2.182 163 2HB PHE 21 HB1 PHE 21 163.845 -0.068 -3.872 164 HD1 PHE 21 HD1 PHE 21 162.905 1.981 -4.588 165 HD2 PHE 21 HD2 PHE 21 160.496 -0.863 -2.545 166 HE1 PHE 21 HE1 PHE 21 160.891 3.266 -5.183 167 HE2 PHE 21 HE2 PHE 21 158.479 0.414 -3.126 168 HZ PHE 21 HZ PHE 21 158.675 2.470 -4.451 169 H LEU 22 HN LEU 22 163.206 -1.706 -5.757 170 HA LEU 22 HA LEU 22 160.592 -1.634 -6.715 171 1HB LEU 22 HB2 LEU 22 163.195 -2.418 -7.993 172 2HB LEU 22 HB1 LEU 22 161.686 -2.406 -8.895 173 HG LEU 22 HG LEU 22 161.621 -0.139 -9.032 174 1HD1 LEU 22 HD11 LEU 22 163.155 0.129 -6.449 175 2HD1 LEU 22 HD12 LEU 22 161.398 0.183 -6.591 176 3HD1 LEU 22 HD13 LEU 22 162.383 1.426 -7.361 177 1HD2 LEU 22 HD21 LEU 22 164.142 0.713 -8.782 178 2HD2 LEU 22 HD22 LEU 22 163.587 -0.267 -10.139 179 3HD2 LEU 22 HD23 LEU 22 164.425 -1.028 -8.786 180 H GLU 23 HN GLU 23 162.460 -4.366 -5.676 181 HA GLU 23 HA GLU 23 160.558 -6.181 -6.977 182 1HB GLU 23 HB2 GLU 23 162.158 -7.942 -6.637 183 2HB GLU 23 HB1 GLU 23 162.965 -6.564 -7.369 184 1HG GLU 23 HG2 GLU 23 164.500 -7.117 -5.801 185 2HG GLU 23 HG1 GLU 23 163.526 -5.987 -4.869 186 H MET 24 HN MET 24 162.052 -5.645 -3.772 187 HA MET 24 HA MET 24 160.471 -7.587 -2.456 188 1HB MET 24 HB2 MET 24 162.240 -5.359 -1.581 189 2HB MET 24 HB1 MET 24 161.121 -6.025 -0.405 190 1HG MET 24 HG2 MET 24 162.170 -8.299 -1.361 191 2HG MET 24 HG1 MET 24 163.535 -7.204 -1.611 192 1HE MET 24 HE1 MET 24 160.976 -6.680 1.486 193 2HE MET 24 HE2 MET 24 161.535 -8.048 2.448 194 3HE MET 24 HE3 MET 24 160.828 -8.320 0.855 195 H ALA 25 HN ALA 25 160.246 -4.026 -2.360 196 HA ALA 25 HA ALA 25 158.012 -3.724 -0.821 197 1HB ALA 25 HB1 ALA 25 157.532 -1.648 -2.122 198 2HB ALA 25 HB2 ALA 25 158.804 -2.127 -3.244 199 3HB ALA 25 HB3 ALA 25 159.194 -1.798 -1.555 200 H GLY 26 HN GLY 26 155.796 -2.977 -1.555 201 1HA GLY 26 HA2 GLY 26 154.353 -3.386 -3.709 202 2HA GLY 26 HA1 GLY 26 154.700 -5.060 -3.297 203 H GLU 27 HN GLU 27 154.504 -5.075 -0.587 204 HA GLU 27 HA GLU 27 151.944 -3.891 0.143 205 1HB GLU 27 HB2 GLU 27 152.464 -6.863 0.063 206 2HB GLU 27 HB1 GLU 27 151.156 -6.142 0.991 207 1HG GLU 27 HG2 GLU 27 149.979 -5.526 -0.890 208 2HG GLU 27 HG1 GLU 27 151.411 -5.539 -1.918 209 H ASN 28 HN ASN 28 154.841 -3.752 0.941 210 HA ASN 28 HA ASN 28 154.648 -4.665 3.722 211 1HB ASN 28 HB2 ASN 28 157.085 -3.642 2.247 212 2HB ASN 28 HB1 ASN 28 157.053 -4.412 3.840 213 1HD2 ASN 28 HD21 ASN 28 156.475 -4.933 0.411 214 2HD2 ASN 28 HD22 ASN 28 156.751 -6.638 0.435 215 H LEU 29 HN LEU 29 155.541 -1.801 1.805 216 HA LEU 29 HA LEU 29 155.491 -0.138 4.187 217 1HB LEU 29 HB2 LEU 29 157.093 0.052 2.130 218 2HB LEU 29 HB1 LEU 29 155.761 0.929 1.401 219 HG LEU 29 HG LEU 29 156.940 1.717 4.053 220 1HD1 LEU 29 HD11 LEU 29 157.855 3.571 2.283 221 2HD1 LEU 29 HD12 LEU 29 158.020 2.075 1.365 222 3HD1 LEU 29 HD13 LEU 29 158.803 2.236 2.936 223 1HD2 LEU 29 HD21 LEU 29 155.021 2.895 3.975 224 2HD2 LEU 29 HD22 LEU 29 154.910 2.817 2.219 225 3HD2 LEU 29 HD23 LEU 29 156.005 3.967 2.987 226 H ASP 30 HN ASP 30 154.009 1.452 4.628 227 HA ASP 30 HA ASP 30 151.371 1.087 4.130 228 1HB ASP 30 HB2 ASP 30 152.960 3.117 5.315 229 2HB ASP 30 HB1 ASP 30 151.796 3.919 4.265 230 HA PRO 31 HA PRO 31 150.309 2.045 -0.032 231 1HB PRO 31 HB2 PRO 31 148.107 3.706 0.418 232 2HB PRO 31 HB1 PRO 31 148.067 1.942 0.294 233 1HG PRO 31 HG2 PRO 31 148.118 3.679 2.720 234 2HG PRO 31 HG1 PRO 31 147.255 2.154 2.445 235 1HD PRO 31 HD2 PRO 31 149.476 2.242 3.927 236 2HD PRO 31 HD1 PRO 31 149.148 0.867 2.846 237 H ALA 32 HN ALA 32 150.911 4.568 2.269 238 HA ALA 32 HA ALA 32 150.690 6.854 0.722 239 1HB ALA 32 HB1 ALA 32 152.837 6.366 2.778 240 2HB ALA 32 HB2 ALA 32 151.164 6.762 3.171 241 3HB ALA 32 HB3 ALA 32 152.157 7.916 2.280 242 H ASP 33 HN ASP 33 153.518 4.716 1.089 243 HA ASP 33 HA ASP 33 155.107 6.207 -0.762 244 1HB ASP 33 HB2 ASP 33 156.817 4.720 -0.289 245 2HB ASP 33 HB1 ASP 33 155.846 4.600 1.171 246 H ILE 34 HN ILE 34 152.892 3.535 -1.012 247 HA ILE 34 HA ILE 34 153.728 2.433 -3.440 248 HB ILE 34 HB ILE 34 150.929 2.630 -2.320 249 1HG1 ILE 34 HG12 ILE 34 153.058 0.485 -2.124 250 2HG1 ILE 34 HG11 ILE 34 152.464 1.501 -0.807 251 1HG2 ILE 34 HG21 ILE 34 150.459 0.677 -3.769 252 2HG2 ILE 34 HG22 ILE 34 152.045 0.887 -4.513 253 3HG2 ILE 34 HG23 ILE 34 150.821 2.147 -4.676 254 1HD1 ILE 34 HD11 ILE 34 150.196 0.456 -1.226 255 2HD1 ILE 34 HD12 ILE 34 151.437 -0.586 -0.529 256 3HD1 ILE 34 HD13 ILE 34 151.038 -0.713 -2.243 257 H LEU 35 HN LEU 35 151.321 4.975 -2.815 258 HA LEU 35 HA LEU 35 150.877 5.481 -5.593 259 1HB LEU 35 HB2 LEU 35 149.039 6.066 -4.343 260 2HB LEU 35 HB1 LEU 35 150.000 6.700 -3.024 261 HG LEU 35 HG LEU 35 150.507 8.444 -5.150 262 1HD1 LEU 35 HD11 LEU 35 148.707 8.724 -6.417 263 2HD1 LEU 35 HD12 LEU 35 147.612 8.605 -5.038 264 3HD1 LEU 35 HD13 LEU 35 148.187 7.142 -5.837 265 1HD2 LEU 35 HD21 LEU 35 148.547 8.766 -2.887 266 2HD2 LEU 35 HD22 LEU 35 149.350 10.057 -3.783 267 3HD2 LEU 35 HD23 LEU 35 150.294 8.974 -2.758 268 H LEU 36 HN LEU 36 152.772 7.058 -3.038 269 HA LEU 36 HA LEU 36 153.594 9.301 -4.495 270 1HB LEU 36 HB2 LEU 36 154.153 8.172 -1.981 271 2HB LEU 36 HB1 LEU 36 155.705 8.345 -2.776 272 HG LEU 36 HG LEU 36 155.404 10.708 -3.026 273 1HD1 LEU 36 HD11 LEU 36 152.583 10.091 -2.295 274 2HD1 LEU 36 HD12 LEU 36 153.218 11.141 -3.563 275 3HD1 LEU 36 HD13 LEU 36 153.253 11.669 -1.881 276 1HD2 LEU 36 HD21 LEU 36 154.793 11.267 -0.524 277 2HD2 LEU 36 HD22 LEU 36 156.288 10.428 -0.937 278 3HD2 LEU 36 HD23 LEU 36 154.899 9.515 -0.349 279 H PHE 37 HN PHE 37 155.529 6.384 -3.847 280 HA PHE 37 HA PHE 37 157.629 6.801 -5.537 281 1HB PHE 37 HB2 PHE 37 156.250 4.375 -4.534 282 2HB PHE 37 HB1 PHE 37 157.344 4.151 -5.890 283 HD1 PHE 37 HD1 PHE 37 159.632 5.609 -5.506 284 HD2 PHE 37 HD2 PHE 37 157.157 3.906 -2.491 285 HE1 PHE 37 HE1 PHE 37 161.557 5.522 -3.977 286 HE2 PHE 37 HE2 PHE 37 159.081 3.818 -0.959 287 HZ PHE 37 HZ PHE 37 161.287 4.619 -1.710 288 H ASN 38 HN ASN 38 154.369 5.899 -6.397 289 HA ASN 38 HA ASN 38 154.908 5.042 -9.043 290 1HB ASN 38 HB2 ASN 38 152.555 5.526 -7.385 291 2HB ASN 38 HB1 ASN 38 152.293 5.949 -9.074 292 1HD2 ASN 38 HD21 ASN 38 154.012 3.381 -7.322 293 2HD2 ASN 38 HD22 ASN 38 153.309 2.070 -8.218 294 H LEU 39 HN LEU 39 152.795 7.818 -8.432 295 HA LEU 39 HA LEU 39 153.518 9.054 -10.824 296 1HB LEU 39 HB2 LEU 39 152.353 11.094 -9.719 297 2HB LEU 39 HB1 LEU 39 151.445 9.682 -10.204 298 HG LEU 39 HG LEU 39 150.941 10.803 -7.940 299 1HD1 LEU 39 HD11 LEU 39 149.673 8.985 -8.157 300 2HD1 LEU 39 HD12 LEU 39 150.832 8.239 -7.062 301 3HD1 LEU 39 HD13 LEU 39 150.997 8.016 -8.806 302 1HD2 LEU 39 HD21 LEU 39 152.194 9.856 -6.059 303 2HD2 LEU 39 HD22 LEU 39 153.211 10.872 -7.079 304 3HD2 LEU 39 HD23 LEU 39 153.330 9.118 -7.185 305 H GLN 40 HN GLN 40 155.269 8.956 -7.941 306 HA GLN 40 HA GLN 40 157.029 11.018 -8.960 307 1HB GLN 40 HB2 GLN 40 157.126 12.278 -6.867 308 2HB GLN 40 HB1 GLN 40 155.519 12.320 -7.574 309 1HG GLN 40 HG2 GLN 40 154.836 10.535 -5.998 310 2HG GLN 40 HG1 GLN 40 156.418 10.657 -5.233 311 1HE2 GLN 40 HE21 GLN 40 156.886 12.446 -3.953 312 2HE2 GLN 40 HE22 GLN 40 155.673 13.561 -3.438 313 H PHE 41 HN PHE 41 158.942 10.170 -8.977 314 HA PHE 41 HA PHE 41 160.276 9.203 -6.677 315 1HB PHE 41 HB2 PHE 41 158.986 7.154 -7.100 316 2HB PHE 41 HB1 PHE 41 159.597 7.107 -8.759 317 HD1 PHE 41 HD1 PHE 41 160.783 5.062 -8.735 318 HD2 PHE 41 HD2 PHE 41 161.518 7.974 -5.720 319 HE1 PHE 41 HE1 PHE 41 162.748 3.782 -7.980 320 HE2 PHE 41 HE2 PHE 41 163.482 6.704 -4.961 321 HZ PHE 41 HZ PHE 41 164.105 4.605 -6.087 322 H GLU 42 HN GLU 42 160.089 9.314 -10.176 323 HA GLU 42 HA GLU 42 162.773 8.955 -10.823 324 1HB GLU 42 HB2 GLU 42 160.931 9.027 -12.474 325 2HB GLU 42 HB1 GLU 42 160.785 10.760 -12.214 326 1HG GLU 42 HG2 GLU 42 162.744 11.232 -13.317 327 2HG GLU 42 HG1 GLU 42 163.412 9.623 -13.041 328 H GLU 43 HN GLU 43 161.113 12.115 -10.697 329 HA GLU 43 HA GLU 43 163.517 13.597 -10.644 330 1HB GLU 43 HB2 GLU 43 160.927 14.217 -11.119 331 2HB GLU 43 HB1 GLU 43 161.104 14.852 -9.489 332 1HG GLU 43 HG2 GLU 43 161.834 16.695 -10.509 333 2HG GLU 43 HG1 GLU 43 163.348 15.809 -10.682 334 H ARG 44 HN ARG 44 161.331 12.512 -8.074 335 HA ARG 44 HA ARG 44 163.056 13.756 -6.068 336 1HB ARG 44 HB2 ARG 44 160.403 12.334 -5.787 337 2HB ARG 44 HB1 ARG 44 161.290 13.080 -4.465 338 1HG ARG 44 HG2 ARG 44 160.342 14.593 -6.884 339 2HG ARG 44 HG1 ARG 44 159.407 14.439 -5.396 340 1HD ARG 44 HD2 ARG 44 161.416 15.385 -4.189 341 2HD ARG 44 HD1 ARG 44 162.083 15.764 -5.776 342 HE ARG 44 HE ARG 44 159.987 17.157 -4.402 343 1HH1 ARG 44 HH11 ARG 44 161.308 16.396 -7.541 344 2HH1 ARG 44 HH12 ARG 44 160.633 17.797 -8.303 345 1HH2 ARG 44 HH21 ARG 44 159.099 19.000 -5.403 346 2HH2 ARG 44 HH22 ARG 44 159.379 19.276 -7.089 347 H GLY 45 HN GLY 45 163.904 11.425 -7.653 348 1HA GLY 45 HA2 GLY 45 163.959 9.277 -5.665 349 2HA GLY 45 HA1 GLY 45 164.500 9.155 -7.333 350 H GLY 46 HN GLY 46 165.547 9.101 -4.254 351 1HA GLY 46 HA2 GLY 46 168.276 9.669 -5.083 352 2HA GLY 46 HA1 GLY 46 167.652 10.650 -3.766 353 H VAL 47 HN VAL 47 168.906 7.575 -4.692 354 HA VAL 47 HA VAL 47 168.348 6.418 -2.067 355 HB VAL 47 HB VAL 47 169.821 5.141 -4.374 356 1HG1 VAL 47 HG11 VAL 47 170.289 3.682 -2.727 357 2HG1 VAL 47 HG12 VAL 47 168.631 3.140 -2.985 358 3HG1 VAL 47 HG13 VAL 47 168.995 4.280 -1.690 359 1HG2 VAL 47 HG21 VAL 47 167.375 3.942 -4.328 360 2HG2 VAL 47 HG22 VAL 47 167.842 5.232 -5.436 361 3HG2 VAL 47 HG23 VAL 47 166.955 5.615 -3.960 362 H GLU 48 HN GLU 48 169.678 7.445 -0.641 363 HA GLU 48 HA GLU 48 172.446 7.952 -1.264 364 1HB GLU 48 HB2 GLU 48 170.979 9.436 0.163 365 2HB GLU 48 HB1 GLU 48 171.099 8.215 1.422 366 1HG GLU 48 HG2 GLU 48 172.693 9.907 1.894 367 2HG GLU 48 HG1 GLU 48 173.573 8.480 1.349 368 H PHE 49 HN PHE 49 174.221 6.885 -0.590 369 HA PHE 49 HA PHE 49 173.818 4.253 0.597 370 1HB PHE 49 HB2 PHE 49 175.196 4.385 -1.417 371 2HB PHE 49 HB1 PHE 49 176.272 5.534 -0.628 372 HD1 PHE 49 HD1 PHE 49 174.907 2.099 -0.166 373 HD2 PHE 49 HD2 PHE 49 178.195 4.748 0.356 374 HE1 PHE 49 HE1 PHE 49 176.270 0.233 0.677 375 HE2 PHE 49 HE2 PHE 49 179.566 2.886 1.198 376 HZ PHE 49 HZ PHE 49 178.601 0.627 1.358 377 H VAL 50 HN VAL 50 173.957 4.038 2.716 378 HA VAL 50 HA VAL 50 175.647 5.912 4.228 379 HB VAL 50 HB VAL 50 173.979 4.366 5.968 380 1HG1 VAL 50 HG11 VAL 50 173.115 6.610 6.574 381 2HG1 VAL 50 HG12 VAL 50 174.019 7.284 5.217 382 3HG1 VAL 50 HG13 VAL 50 174.876 6.515 6.553 383 1HG2 VAL 50 HG21 VAL 50 171.763 5.148 5.224 384 2HG2 VAL 50 HG22 VAL 50 172.492 4.016 4.085 385 3HG2 VAL 50 HG23 VAL 50 172.491 5.743 3.732 386 H GLU 51 HN GLU 51 175.897 4.536 6.593 387 HA GLU 51 HA GLU 51 177.197 2.006 5.886 388 1HB GLU 51 HB2 GLU 51 178.465 4.445 6.980 389 2HB GLU 51 HB1 GLU 51 178.918 2.935 7.759 390 1HG GLU 51 HG2 GLU 51 179.304 2.114 5.320 391 2HG GLU 51 HG1 GLU 51 179.388 3.837 4.958 392 H THR 52 HN THR 52 177.452 0.548 7.662 393 HA THR 52 HA THR 52 175.261 0.402 9.364 394 HB THR 52 HB THR 52 177.963 -0.929 9.483 395 HG1 THR 52 HG1 THR 52 176.301 -1.361 7.794 396 1HG2 THR 52 HG21 THR 52 176.863 -2.626 10.950 397 2HG2 THR 52 HG22 THR 52 175.560 -1.465 11.208 398 3HG2 THR 52 HG23 THR 52 177.203 -1.079 11.727 399 H ALA 53 HN ALA 53 175.275 0.367 11.738 400 HA ALA 53 HA ALA 53 176.736 2.689 12.794 401 1HB ALA 53 HB1 ALA 53 174.081 2.250 12.767 402 2HB ALA 53 HB2 ALA 53 174.893 3.208 14.007 403 3HB ALA 53 HB3 ALA 53 174.499 1.511 14.316 404 H ASP 54 HN ASP 54 175.996 1.937 15.535 405 HA ASP 54 HA ASP 54 178.193 0.106 16.060 406 1HB ASP 54 HB2 ASP 54 176.854 2.262 17.506 407 2HB ASP 54 HB1 ASP 54 177.097 0.835 18.507 408 H ASP 55 HN ASP 55 175.737 -0.860 14.847 409 HA ASP 55 HA ASP 55 174.581 -2.822 14.934 410 1HB ASP 55 HB2 ASP 55 175.429 -3.150 17.813 411 2HB ASP 55 HB1 ASP 55 174.847 -4.394 16.714 412 H TRP 56 HN TRP 56 172.661 -1.657 14.701 413 HA TRP 56 HA TRP 56 171.253 -0.968 17.167 414 1HB TRP 56 HB2 TRP 56 169.551 0.015 15.485 415 2HB TRP 56 HB1 TRP 56 171.076 0.857 15.750 416 HD1 TRP 56 HD1 TRP 56 172.954 0.552 13.740 417 HE1 TRP 56 HE1 TRP 56 172.580 0.315 11.204 418 HE3 TRP 56 HE3 TRP 56 168.074 -0.930 13.790 419 HZ2 TRP 56 HZ2 TRP 56 170.470 -0.390 9.454 420 HZ3 TRP 56 HZ3 TRP 56 166.945 -1.373 11.649 421 HH2 TRP 56 HH2 TRP 56 168.120 -1.117 9.527 422 H GLU 57 HN GLU 57 171.505 -3.619 16.895 423 HA GLU 57 HA GLU 57 169.360 -4.913 15.532 424 1HB GLU 57 HB2 GLU 57 169.993 -6.870 16.870 425 2HB GLU 57 HB1 GLU 57 171.407 -6.097 16.172 426 1HG GLU 57 HG2 GLU 57 172.285 -5.631 18.168 427 2HG GLU 57 HG1 GLU 57 170.734 -5.132 18.842 428 H GLU 58 HN GLU 58 167.899 -3.055 16.503 429 HA GLU 58 HA GLU 58 166.519 -4.208 18.828 430 1HB GLU 58 HB2 GLU 58 167.513 -1.445 18.424 431 2HB GLU 58 HB1 GLU 58 165.910 -1.601 19.130 432 1HG GLU 58 HG2 GLU 58 168.261 -3.100 20.225 433 2HG GLU 58 HG1 GLU 58 167.906 -1.442 20.708 434 H GLU 59 HN GLU 59 166.292 -2.232 15.909 435 HA GLU 59 HA GLU 59 163.381 -2.427 15.949 436 1HB GLU 59 HB2 GLU 59 163.428 -0.953 13.998 437 2HB GLU 59 HB1 GLU 59 164.362 -0.270 15.322 438 1HG GLU 59 HG2 GLU 59 166.306 -1.577 14.021 439 2HG GLU 59 HG1 GLU 59 165.230 -1.212 12.673 440 H ILE 60 HN ILE 60 166.175 -3.564 14.125 441 HA ILE 60 HA ILE 60 164.446 -5.175 12.405 442 HB ILE 60 HB ILE 60 166.719 -5.849 11.379 443 1HG1 ILE 60 HG12 ILE 60 167.545 -3.349 12.877 444 2HG1 ILE 60 HG11 ILE 60 168.131 -4.984 13.198 445 1HG2 ILE 60 HG21 ILE 60 165.060 -4.381 10.311 446 2HG2 ILE 60 HG22 ILE 60 166.717 -3.914 9.923 447 3HG2 ILE 60 HG23 ILE 60 165.795 -2.993 11.111 448 1HD1 ILE 60 HD11 ILE 60 169.397 -5.038 11.264 449 2HD1 ILE 60 HD12 ILE 60 169.575 -3.367 11.809 450 3HD1 ILE 60 HD13 ILE 60 168.464 -3.753 10.496 451 H GLY 61 HN GLY 61 166.604 -5.398 15.115 452 1HA GLY 61 HA2 GLY 61 166.635 -7.164 16.655 453 2HA GLY 61 HA1 GLY 61 165.867 -8.195 15.460 454 H VAL 62 HN VAL 62 167.586 -7.985 13.348 455 HA VAL 62 HA VAL 62 169.576 -9.835 14.029 456 HB VAL 62 HB VAL 62 170.567 -9.042 11.704 457 1HG1 VAL 62 HG11 VAL 62 169.561 -11.211 12.165 458 2HG1 VAL 62 HG12 VAL 62 169.034 -10.589 10.601 459 3HG1 VAL 62 HG13 VAL 62 167.951 -10.512 11.991 460 1HG2 VAL 62 HG21 VAL 62 169.084 -7.015 11.673 461 2HG2 VAL 62 HG22 VAL 62 167.714 -8.107 11.462 462 3HG2 VAL 62 HG23 VAL 62 168.982 -8.040 10.243 463 H LEU 63 HN LEU 63 171.903 -9.636 13.738 464 HA LEU 63 HA LEU 63 172.921 -7.374 15.192 465 1HB LEU 63 HB2 LEU 63 174.071 -9.924 14.140 466 2HB LEU 63 HB1 LEU 63 175.156 -8.629 14.610 467 HG LEU 63 HG LEU 63 174.911 -10.182 16.442 468 1HD1 LEU 63 HD11 LEU 63 174.763 -8.608 18.052 469 2HD1 LEU 63 HD12 LEU 63 173.225 -7.984 17.456 470 3HD1 LEU 63 HD13 LEU 63 174.731 -7.515 16.668 471 1HD2 LEU 63 HD21 LEU 63 172.843 -10.763 17.433 472 2HD2 LEU 63 HD22 LEU 63 172.637 -10.981 15.695 473 3HD2 LEU 63 HD23 LEU 63 171.969 -9.555 16.490 474 H ILE 64 HN ILE 64 174.044 -5.666 14.440 475 HA ILE 64 HA ILE 64 174.437 -5.510 11.523 476 HB ILE 64 HB ILE 64 174.488 -2.965 12.981 477 1HG1 ILE 64 HG12 ILE 64 172.757 -4.166 14.296 478 2HG1 ILE 64 HG11 ILE 64 172.097 -2.817 13.379 479 1HG2 ILE 64 HG21 ILE 64 172.944 -2.336 11.131 480 2HG2 ILE 64 HG22 ILE 64 173.046 -4.000 10.553 481 3HG2 ILE 64 HG23 ILE 64 174.492 -2.992 10.597 482 1HD1 ILE 64 HD11 ILE 64 170.573 -4.602 13.182 483 2HD1 ILE 64 HD12 ILE 64 171.851 -5.742 12.773 484 3HD1 ILE 64 HD13 ILE 64 171.409 -4.474 11.634 485 H ASP 65 HN ASP 65 176.548 -6.333 11.477 486 HA ASP 65 HA ASP 65 178.599 -5.251 13.160 487 1HB ASP 65 HB2 ASP 65 178.495 -7.230 10.941 488 2HB ASP 65 HB1 ASP 65 180.047 -6.479 11.297 489 HA PRO 66 HA PRO 66 178.937 -1.356 10.977 490 1HB PRO 66 HB2 PRO 66 181.668 -1.212 11.850 491 2HB PRO 66 HB1 PRO 66 180.279 -0.268 12.389 492 1HG PRO 66 HG2 PRO 66 181.541 -2.594 13.637 493 2HG PRO 66 HG1 PRO 66 180.425 -1.412 14.333 494 1HD PRO 66 HD2 PRO 66 179.750 -3.995 13.814 495 2HD PRO 66 HD1 PRO 66 178.579 -2.661 13.805 496 H GLU 67 HN GLU 67 182.145 -2.896 10.926 497 HA GLU 67 HA GLU 67 182.532 -2.114 8.225 498 1HB GLU 67 HB2 GLU 67 184.130 -3.541 10.279 499 2HB GLU 67 HB1 GLU 67 184.615 -3.720 8.599 500 1HG GLU 67 HG2 GLU 67 184.078 -0.960 9.383 501 2HG GLU 67 HG1 GLU 67 185.399 -1.717 10.272 502 H GLU 68 HN GLU 68 180.550 -4.461 9.113 503 HA GLU 68 HA GLU 68 181.367 -6.204 6.884 504 1HB GLU 68 HB2 GLU 68 179.933 -6.964 9.427 505 2HB GLU 68 HB1 GLU 68 180.218 -8.055 8.072 506 1HG GLU 68 HG2 GLU 68 182.384 -8.357 8.594 507 2HG GLU 68 HG1 GLU 68 182.593 -6.685 9.132 508 H TYR 69 HN TYR 69 178.976 -4.148 8.127 509 HA TYR 69 HA TYR 69 177.020 -5.176 6.165 510 1HB TYR 69 HB2 TYR 69 176.613 -4.003 8.909 511 2HB TYR 69 HB1 TYR 69 175.327 -3.953 7.703 512 HD1 TYR 69 HD1 TYR 69 173.742 -5.342 8.725 513 HD2 TYR 69 HD2 TYR 69 177.719 -6.767 8.255 514 HE1 TYR 69 HE1 TYR 69 173.009 -7.595 9.375 515 HE2 TYR 69 HE2 TYR 69 176.999 -9.018 8.898 516 HH TYR 69 HH TYR 69 175.014 -10.358 9.009 517 H ALA 70 HN ALA 70 175.939 -3.718 4.877 518 HA ALA 70 HA ALA 70 177.001 -0.967 4.896 519 1HB ALA 70 HB1 ALA 70 177.704 -1.816 2.860 520 2HB ALA 70 HB2 ALA 70 176.169 -1.063 2.427 521 3HB ALA 70 HB3 ALA 70 176.260 -2.809 2.657 522 H GLU 71 HN GLU 71 175.545 0.735 4.831 523 HA GLU 71 HA GLU 71 172.723 -0.071 5.089 524 1HB GLU 71 HB2 GLU 71 173.459 0.864 7.156 525 2HB GLU 71 HB1 GLU 71 174.255 2.206 6.353 526 1HG GLU 71 HG2 GLU 71 171.885 2.887 5.596 527 2HG GLU 71 HG1 GLU 71 171.327 1.780 6.851 528 H VAL 72 HN VAL 72 171.166 0.914 3.929 529 HA VAL 72 HA VAL 72 171.873 3.166 2.204 530 HB VAL 72 HB VAL 72 171.087 0.452 1.280 531 1HG1 VAL 72 HG11 VAL 72 169.138 1.376 0.456 532 2HG1 VAL 72 HG12 VAL 72 170.250 1.653 -0.883 533 3HG1 VAL 72 HG13 VAL 72 169.863 2.967 0.226 534 1HG2 VAL 72 HG21 VAL 72 172.454 1.157 -0.664 535 2HG2 VAL 72 HG22 VAL 72 173.315 1.252 0.872 536 3HG2 VAL 72 HG23 VAL 72 172.689 2.720 0.119 537 H TRP 73 HN TRP 73 170.232 4.594 1.900 538 HA TRP 73 HA TRP 73 167.638 3.883 3.109 539 1HB TRP 73 HB2 TRP 73 169.347 6.305 3.406 540 2HB TRP 73 HB1 TRP 73 167.601 6.536 3.393 541 HD1 TRP 73 HD1 TRP 73 168.368 3.280 4.950 542 HE1 TRP 73 HE1 TRP 73 168.249 3.447 7.513 543 HE3 TRP 73 HE3 TRP 73 168.275 8.368 5.435 544 HZ2 TRP 73 HZ2 TRP 73 168.129 5.455 9.476 545 HZ3 TRP 73 HZ3 TRP 73 168.158 9.332 7.696 546 HH2 TRP 73 HH2 TRP 73 168.087 7.904 9.675 547 H VAL 74 HN VAL 74 165.864 4.175 1.924 548 HA VAL 74 HA VAL 74 166.101 5.695 -0.587 549 HB VAL 74 HB VAL 74 164.604 3.118 -0.097 550 1HG1 VAL 74 HG11 VAL 74 164.014 5.274 -1.936 551 2HG1 VAL 74 HG12 VAL 74 163.086 3.818 -1.569 552 3HG1 VAL 74 HG13 VAL 74 164.359 3.768 -2.789 553 1HG2 VAL 74 HG21 VAL 74 166.311 3.357 -2.451 554 2HG2 VAL 74 HG22 VAL 74 166.236 2.087 -1.228 555 3HG2 VAL 74 HG23 VAL 74 167.188 3.542 -0.930 556 H GLY 75 HN GLY 75 164.968 7.470 -0.426 557 1HA GLY 75 HA2 GLY 75 162.267 7.332 0.752 558 2HA GLY 75 HA1 GLY 75 163.374 8.598 1.252 559 H LEU 76 HN LEU 76 162.861 10.461 0.400 560 HA LEU 76 HA LEU 76 162.356 10.674 -2.466 561 1HB LEU 76 HB2 LEU 76 160.215 10.627 -0.675 562 2HB LEU 76 HB1 LEU 76 160.476 12.334 -0.968 563 HG LEU 76 HG LEU 76 160.020 12.109 -3.280 564 1HD1 LEU 76 HD11 LEU 76 160.984 10.271 -4.186 565 2HD1 LEU 76 HD12 LEU 76 159.357 9.621 -3.990 566 3HD1 LEU 76 HD13 LEU 76 160.602 9.253 -2.798 567 1HD2 LEU 76 HD21 LEU 76 158.176 10.711 -1.420 568 2HD2 LEU 76 HD22 LEU 76 157.815 10.681 -3.147 569 3HD2 LEU 76 HD23 LEU 76 157.962 12.223 -2.302 570 H VAL 77 HN VAL 77 164.571 11.532 -2.033 571 HA VAL 77 HA VAL 77 165.134 13.784 -0.527 572 HB VAL 77 HB VAL 77 167.064 14.149 -1.976 573 1HG1 VAL 77 HG11 VAL 77 168.178 12.095 -1.562 574 2HG1 VAL 77 HG12 VAL 77 166.663 11.192 -1.591 575 3HG1 VAL 77 HG13 VAL 77 166.999 12.310 -0.268 576 1HG2 VAL 77 HG21 VAL 77 165.744 13.601 -4.095 577 2HG2 VAL 77 HG22 VAL 77 166.119 11.915 -3.741 578 3HG2 VAL 77 HG23 VAL 77 167.424 13.072 -4.017 579 H ASN 78 HN ASN 78 165.936 15.884 -1.560 580 HA ASN 78 HA ASN 78 163.668 17.086 -2.923 581 1HB ASN 78 HB2 ASN 78 164.677 19.217 -2.304 582 2HB ASN 78 HB1 ASN 78 164.585 18.158 -0.907 583 1HD2 ASN 78 HD21 ASN 78 167.052 16.863 -2.622 584 2HD2 ASN 78 HD22 ASN 78 168.365 17.743 -1.950 585 H GLU 79 HN GLU 79 165.469 19.275 -3.985 586 HA GLU 79 HA GLU 79 166.315 17.828 -6.398 587 1HB GLU 79 HB2 GLU 79 164.646 20.063 -6.075 588 2HB GLU 79 HB1 GLU 79 166.138 20.684 -6.766 589 1HG GLU 79 HG2 GLU 79 165.566 18.370 -8.214 590 2HG GLU 79 HG1 GLU 79 164.019 19.190 -8.010 591 H GLN 80 HN GLN 80 167.620 19.298 -3.700 592 HA GLN 80 HA GLN 80 170.079 19.962 -5.177 593 1HB GLN 80 HB2 GLN 80 170.617 21.625 -3.530 594 2HB GLN 80 HB1 GLN 80 168.984 21.925 -4.115 595 1HG GLN 80 HG2 GLN 80 168.030 21.036 -2.121 596 2HG GLN 80 HG1 GLN 80 169.599 20.459 -1.562 597 1HE2 GLN 80 HE21 GLN 80 168.208 23.507 -2.745 598 2HE2 GLN 80 HE22 GLN 80 168.875 24.493 -1.494 599 H ASP 81 HN ASP 81 169.401 17.333 -4.228 600 HA ASP 81 HA ASP 81 170.365 15.577 -3.159 601 1HB ASP 81 HB2 ASP 81 172.431 17.146 -4.045 602 2HB ASP 81 HB1 ASP 81 172.809 16.979 -2.332 603 H GLU 82 HN GLU 82 168.899 15.573 -1.443 604 HA GLU 82 HA GLU 82 170.103 16.002 1.139 605 1HB GLU 82 HB2 GLU 82 168.262 17.923 0.037 606 2HB GLU 82 HB1 GLU 82 167.561 17.171 1.463 607 1HG GLU 82 HG2 GLU 82 169.424 17.836 2.807 608 2HG GLU 82 HG1 GLU 82 170.299 18.413 1.390 609 H MET 83 HN MET 83 168.867 14.949 2.852 610 HA MET 83 HA MET 83 166.666 13.258 1.950 611 1HB MET 83 HB2 MET 83 168.791 11.978 1.650 612 2HB MET 83 HB1 MET 83 169.071 12.121 3.379 613 1HG MET 83 HG2 MET 83 168.149 9.963 2.887 614 2HG MET 83 HG1 MET 83 166.975 10.910 3.798 615 1HE MET 83 HE1 MET 83 167.464 8.509 1.222 616 2HE MET 83 HE2 MET 83 167.904 9.737 0.035 617 3HE MET 83 HE3 MET 83 166.383 8.858 -0.127 618 H ASP 84 HN ASP 84 165.132 13.997 3.275 619 HA ASP 84 HA ASP 84 165.715 14.033 6.165 620 1HB ASP 84 HB2 ASP 84 163.942 15.753 6.372 621 2HB ASP 84 HB1 ASP 84 165.285 16.285 5.366 622 H ASP 85 HN ASP 85 163.769 12.729 3.663 623 HA ASP 85 HA ASP 85 162.082 11.408 5.674 624 1HB ASP 85 HB2 ASP 85 161.303 12.858 3.204 625 2HB ASP 85 HB1 ASP 85 160.456 11.340 3.527 626 H VAL 86 HN VAL 86 162.762 9.383 5.755 627 HA VAL 86 HA VAL 86 163.522 8.026 3.261 628 HB VAL 86 HB VAL 86 165.349 7.740 4.642 629 1HG1 VAL 86 HG11 VAL 86 163.478 7.455 6.985 630 2HG1 VAL 86 HG12 VAL 86 164.478 8.854 6.592 631 3HG1 VAL 86 HG13 VAL 86 165.236 7.333 7.068 632 1HG2 VAL 86 HG21 VAL 86 163.837 5.385 5.704 633 2HG2 VAL 86 HG22 VAL 86 165.510 5.485 5.153 634 3HG2 VAL 86 HG23 VAL 86 164.193 5.521 3.982 635 H PHE 87 HN PHE 87 162.472 6.239 2.573 636 HA PHE 87 HA PHE 87 159.946 5.609 3.871 637 1HB PHE 87 HB2 PHE 87 161.159 4.991 1.194 638 2HB PHE 87 HB1 PHE 87 159.769 4.079 1.768 639 HD1 PHE 87 HD1 PHE 87 157.942 5.816 2.894 640 HD2 PHE 87 HD2 PHE 87 160.629 6.624 -0.305 641 HE1 PHE 87 HE1 PHE 87 156.437 7.581 2.084 642 HE2 PHE 87 HE2 PHE 87 159.133 8.398 -1.121 643 HZ PHE 87 HZ PHE 87 157.035 8.883 0.070 644 H ALA 88 HN ALA 88 163.039 4.155 3.175 645 HA ALA 88 HA ALA 88 162.579 2.102 5.149 646 1HB ALA 88 HB1 ALA 88 161.519 1.029 3.278 647 2HB ALA 88 HB2 ALA 88 163.057 0.226 3.593 648 3HB ALA 88 HB3 ALA 88 162.913 1.356 2.245 649 H LYS 89 HN LYS 89 164.543 0.552 5.193 650 HA LYS 89 HA LYS 89 167.003 1.950 4.422 651 1HB LYS 89 HB2 LYS 89 167.029 0.439 6.976 652 2HB LYS 89 HB1 LYS 89 167.932 1.868 6.510 653 1HG LYS 89 HG2 LYS 89 166.116 3.296 6.987 654 2HG LYS 89 HG1 LYS 89 164.989 1.943 7.105 655 1HD LYS 89 HD2 LYS 89 166.413 1.132 9.053 656 2HD LYS 89 HD1 LYS 89 167.175 2.724 9.017 657 1HE LYS 89 HE2 LYS 89 164.195 2.476 9.123 658 2HE LYS 89 HE1 LYS 89 165.152 2.302 10.593 659 1HZ LYS 89 HZ1 LYS 89 165.199 4.498 10.729 660 2HZ LYS 89 HZ2 LYS 89 164.389 4.662 9.254 661 3HZ LYS 89 HZ3 LYS 89 166.078 4.572 9.285 662 H PHE 90 HN PHE 90 168.737 0.544 3.904 663 HA PHE 90 HA PHE 90 167.940 -2.282 3.717 664 1HB PHE 90 HB2 PHE 90 169.456 -0.688 1.645 665 2HB PHE 90 HB1 PHE 90 169.059 -2.401 1.537 666 HD1 PHE 90 HD1 PHE 90 167.233 -2.964 0.268 667 HD2 PHE 90 HD2 PHE 90 167.319 0.842 2.168 668 HE1 PHE 90 HE1 PHE 90 165.065 -2.406 -0.756 669 HE2 PHE 90 HE2 PHE 90 165.154 1.405 1.153 670 HZ PHE 90 HZ PHE 90 164.022 -0.218 -0.311 671 H LEU 91 HN LEU 91 169.342 -3.773 4.315 672 HA LEU 91 HA LEU 91 172.089 -2.941 4.978 673 1HB LEU 91 HB2 LEU 91 170.224 -4.782 6.461 674 2HB LEU 91 HB1 LEU 91 171.949 -4.745 6.743 675 HG LEU 91 HG LEU 91 169.909 -2.617 7.355 676 1HD1 LEU 91 HD11 LEU 91 171.532 -4.554 8.825 677 2HD1 LEU 91 HD12 LEU 91 170.067 -3.704 9.309 678 3HD1 LEU 91 HD13 LEU 91 171.638 -2.920 9.471 679 1HD2 LEU 91 HD21 LEU 91 172.157 -1.447 8.174 680 2HD2 LEU 91 HD22 LEU 91 171.488 -1.176 6.565 681 3HD2 LEU 91 HD23 LEU 91 172.812 -2.320 6.789 682 H ILE 92 HN ILE 92 173.697 -4.243 4.225 683 HA ILE 92 HA ILE 92 173.056 -6.918 3.278 684 HB ILE 92 HB ILE 92 174.607 -5.642 1.207 685 1HG1 ILE 92 HG12 ILE 92 171.868 -4.469 1.749 686 2HG1 ILE 92 HG11 ILE 92 173.401 -3.604 1.793 687 1HG2 ILE 92 HG21 ILE 92 173.485 -7.103 -0.061 688 2HG2 ILE 92 HG22 ILE 92 171.918 -6.574 0.550 689 3HG2 ILE 92 HG23 ILE 92 172.873 -7.741 1.465 690 1HD1 ILE 92 HD11 ILE 92 172.885 -3.019 -0.293 691 2HD1 ILE 92 HD12 ILE 92 171.702 -4.315 -0.466 692 3HD1 ILE 92 HD13 ILE 92 173.415 -4.645 -0.722 693 H SER 93 HN SER 93 174.551 -8.179 4.067 694 HA SER 93 HA SER 93 176.903 -7.497 5.292 695 1HB SER 93 HB2 SER 93 176.211 -10.036 3.805 696 2HB SER 93 HB1 SER 93 177.656 -9.861 4.801 697 HG SER 93 HG SER 93 176.285 -10.569 6.269 698 H HIS 94 HN HIS 94 179.102 -7.471 4.710 699 HA HIS 94 HA HIS 94 179.572 -6.589 1.978 700 1HB HIS 94 HB2 HIS 94 181.189 -6.504 4.515 701 2HB HIS 94 HB1 HIS 94 181.920 -6.139 2.951 702 HD1 HIS 94 HD1 HIS 94 181.935 -3.731 2.434 703 HD2 HIS 94 HD2 HIS 94 178.742 -4.741 4.890 704 HE1 HIS 94 HE1 HIS 94 180.746 -1.569 2.914 705 HE2 HIS 94 HE2 HIS 94 178.848 -2.197 4.447 706 H ARG 95 HN ARG 95 179.155 -9.493 2.730 707 HA ARG 95 HA ARG 95 181.748 -10.645 2.055 708 1HB ARG 95 HB2 ARG 95 179.338 -11.575 3.392 709 2HB ARG 95 HB1 ARG 95 179.894 -12.718 2.177 710 1HG ARG 95 HG2 ARG 95 181.774 -13.237 3.323 711 2HG ARG 95 HG1 ARG 95 181.940 -11.618 4.004 712 1HD ARG 95 HD2 ARG 95 179.672 -13.360 4.863 713 2HD ARG 95 HD1 ARG 95 181.280 -13.633 5.531 714 HE ARG 95 HE ARG 95 180.393 -10.897 5.674 715 1HH1 ARG 95 HH11 ARG 95 180.413 -14.000 7.272 716 2HH1 ARG 95 HH12 ARG 95 180.155 -13.329 8.848 717 1HH2 ARG 95 HH21 ARG 95 180.053 -10.014 7.745 718 2HH2 ARG 95 HH22 ARG 95 179.950 -11.067 9.116 719 H GLU 96 HN GLU 96 181.775 -12.412 0.405 720 HA GLU 96 HA GLU 96 180.388 -11.472 -1.993 721 1HB GLU 96 HB2 GLU 96 182.830 -11.651 -2.093 722 2HB GLU 96 HB1 GLU 96 182.729 -13.359 -1.688 723 1HG GLU 96 HG2 GLU 96 182.766 -13.719 -3.880 724 2HG GLU 96 HG1 GLU 96 181.092 -13.168 -3.877 725 H GLU 97 HN GLU 97 181.305 -14.618 -0.571 726 HA GLU 97 HA GLU 97 179.202 -15.947 -2.054 727 1HB GLU 97 HB2 GLU 97 181.615 -16.731 -0.646 728 2HB GLU 97 HB1 GLU 97 180.258 -17.754 -0.197 729 1HG GLU 97 HG2 GLU 97 179.861 -17.948 -2.739 730 2HG GLU 97 HG1 GLU 97 181.520 -17.366 -2.876 731 H ASP 98 HN ASP 98 177.188 -16.140 -1.346 732 HA ASP 98 HA ASP 98 175.375 -16.261 0.026 733 1HB ASP 98 HB2 ASP 98 177.181 -17.933 1.190 734 2HB ASP 98 HB1 ASP 98 176.906 -16.788 2.499 735 H ARG 99 HN ARG 99 174.483 -14.322 0.332 736 HA ARG 99 HA ARG 99 175.625 -12.596 2.417 737 1HB ARG 99 HB2 ARG 99 174.952 -10.628 0.971 738 2HB ARG 99 HB1 ARG 99 176.347 -11.554 0.416 739 1HG ARG 99 HG2 ARG 99 175.371 -11.914 -1.535 740 2HG ARG 99 HG1 ARG 99 173.985 -12.661 -0.739 741 1HD ARG 99 HD2 ARG 99 173.108 -10.336 -0.330 742 2HD ARG 99 HD1 ARG 99 174.393 -9.748 -1.389 743 HE ARG 99 HE ARG 99 173.126 -11.659 -2.862 744 1HH1 ARG 99 HH11 ARG 99 172.093 -8.768 -1.203 745 2HH1 ARG 99 HH12 ARG 99 170.793 -8.451 -2.301 746 1HH2 ARG 99 HH21 ARG 99 171.416 -11.244 -4.309 747 2HH2 ARG 99 HH22 ARG 99 170.408 -9.857 -4.065 748 H GLU 100 HN GLU 100 174.189 -11.569 3.712 749 HA GLU 100 HA GLU 100 171.355 -12.245 3.309 750 1HB GLU 100 HB2 GLU 100 172.825 -11.461 5.836 751 2HB GLU 100 HB1 GLU 100 171.109 -11.830 5.737 752 1HG GLU 100 HG2 GLU 100 173.305 -13.764 5.039 753 2HG GLU 100 HG1 GLU 100 172.498 -13.688 6.605 754 H PHE 101 HN PHE 101 169.778 -10.655 3.349 755 HA PHE 101 HA PHE 101 170.650 -7.896 3.755 756 1HB PHE 101 HB2 PHE 101 169.636 -7.127 1.720 757 2HB PHE 101 HB1 PHE 101 170.725 -8.445 1.304 758 HD1 PHE 101 HD1 PHE 101 167.352 -7.226 1.206 759 HD2 PHE 101 HD2 PHE 101 169.757 -10.719 0.848 760 HE1 PHE 101 HE1 PHE 101 165.505 -8.375 0.057 761 HE2 PHE 101 HE2 PHE 101 167.914 -11.874 -0.303 762 HZ PHE 101 HZ PHE 101 165.784 -10.701 -0.699 763 H HIS 102 HN HIS 102 169.102 -6.556 4.593 764 HA HIS 102 HA HIS 102 166.376 -7.550 4.885 765 1HB HIS 102 HB2 HIS 102 166.660 -6.650 7.395 766 2HB HIS 102 HB1 HIS 102 166.924 -8.331 6.950 767 HD1 HIS 102 HD1 HIS 102 168.378 -5.993 9.030 768 HD2 HIS 102 HD2 HIS 102 169.944 -8.443 6.067 769 HE1 HIS 102 HE1 HIS 102 170.828 -6.209 9.556 770 HE2 HIS 102 HE2 HIS 102 171.770 -7.619 7.697 771 H VAL 103 HN VAL 103 164.912 -6.014 4.673 772 HA VAL 103 HA VAL 103 165.803 -3.212 4.875 773 HB VAL 103 HB VAL 103 165.362 -3.885 2.550 774 1HG1 VAL 103 HG11 VAL 103 163.669 -5.579 2.926 775 2HG1 VAL 103 HG12 VAL 103 163.051 -4.337 1.835 776 3HG1 VAL 103 HG13 VAL 103 162.549 -4.355 3.526 777 1HG2 VAL 103 HG21 VAL 103 163.487 -2.092 2.178 778 2HG2 VAL 103 HG22 VAL 103 165.077 -1.619 2.775 779 3HG2 VAL 103 HG23 VAL 103 163.730 -1.789 3.898 780 H ILE 104 HN ILE 104 164.523 -1.748 5.910 781 HA ILE 104 HA ILE 104 162.172 -2.859 7.297 782 HB ILE 104 HB ILE 104 162.476 -0.643 8.676 783 1HG1 ILE 104 HG12 ILE 104 164.425 0.007 7.121 784 2HG1 ILE 104 HG11 ILE 104 164.646 0.217 8.853 785 1HG2 ILE 104 HG21 ILE 104 162.496 -2.767 9.703 786 2HG2 ILE 104 HG22 ILE 104 163.944 -1.923 10.253 787 3HG2 ILE 104 HG23 ILE 104 164.067 -3.169 9.011 788 1HD1 ILE 104 HD11 ILE 104 165.557 -2.373 8.220 789 2HD1 ILE 104 HD12 ILE 104 166.495 -0.968 8.720 790 3HD1 ILE 104 HD13 ILE 104 166.211 -1.273 7.009 791 H TRP 105 HN TRP 105 160.214 -1.987 7.050 792 HA TRP 105 HA TRP 105 159.971 0.252 5.158 793 1HB TRP 105 HB2 TRP 105 157.831 -1.736 5.919 794 2HB TRP 105 HB1 TRP 105 157.803 -0.601 4.570 795 HD1 TRP 105 HD1 TRP 105 159.024 -4.031 5.570 796 HE1 TRP 105 HE1 TRP 105 160.086 -5.199 3.539 797 HE3 TRP 105 HE3 TRP 105 159.190 -0.065 2.321 798 HZ2 TRP 105 HZ2 TRP 105 160.883 -4.540 0.921 799 HZ3 TRP 105 HZ3 TRP 105 160.116 -0.432 0.079 800 HH2 TRP 105 HH2 TRP 105 160.948 -2.621 -0.607 801 H LYS 106 HN LYS 106 158.567 1.963 5.577 802 HA LYS 106 HA LYS 106 158.193 2.540 8.385 803 1HB LYS 106 HB2 LYS 106 159.031 4.231 6.736 804 2HB LYS 106 HB1 LYS 106 157.436 4.227 5.995 805 1HG LYS 106 HG2 LYS 106 156.454 5.023 8.077 806 2HG LYS 106 HG1 LYS 106 158.045 5.006 8.839 807 1HD LYS 106 HD2 LYS 106 158.478 7.039 8.048 808 2HD LYS 106 HD1 LYS 106 158.200 6.483 6.397 809 1HE LYS 106 HE2 LYS 106 155.933 7.070 6.461 810 2HE LYS 106 HE1 LYS 106 155.921 7.180 8.221 811 1HZ LYS 106 HZ1 LYS 106 157.505 9.099 7.938 812 2HZ LYS 106 HZ2 LYS 106 155.917 9.375 7.427 813 3HZ LYS 106 HZ3 LYS 106 157.129 9.070 6.288 814 H LYS 107 HN LYS 107 156.165 3.248 9.287 815 HA LYS 107 HA LYS 107 153.739 2.565 7.844 816 1HB LYS 107 HB2 LYS 107 152.948 1.142 9.780 817 2HB LYS 107 HB1 LYS 107 154.190 0.424 8.763 818 1HG LYS 107 HG2 LYS 107 155.666 1.682 10.698 819 2HG LYS 107 HG1 LYS 107 154.252 1.120 11.592 820 1HD LYS 107 HD2 LYS 107 155.413 -0.832 9.721 821 2HD LYS 107 HD1 LYS 107 156.443 -0.393 11.086 822 1HE LYS 107 HE2 LYS 107 155.298 -1.994 12.169 823 2HE LYS 107 HE1 LYS 107 154.059 -0.750 12.328 824 1HZ LYS 107 HZ1 LYS 107 154.000 -2.302 9.872 825 2HZ LYS 107 HZ2 LYS 107 152.725 -1.765 10.845 826 3HZ LYS 107 HZ3 LYS 107 153.600 -3.145 11.283 Start of MODEL 7 1 H MET 1 HT1 MET 1 197.747 -13.131 1.413 2 HA MET 1 HA MET 1 197.156 -11.641 3.081 3 1HB MET 1 HB2 MET 1 199.747 -11.657 3.759 4 2HB MET 1 HB1 MET 1 199.716 -10.139 2.873 5 1HG MET 1 HG2 MET 1 197.880 -9.368 4.329 6 2HG MET 1 HG1 MET 1 198.023 -10.862 5.252 7 1HE MET 1 HE1 MET 1 197.972 -9.482 7.128 8 2HE MET 1 HE2 MET 1 199.206 -8.369 7.718 9 3HE MET 1 HE3 MET 1 199.430 -10.109 7.897 10 H THR 2 HN THR 2 195.787 -10.318 2.094 11 HA THR 2 HA THR 2 196.658 -8.178 0.427 12 HB THR 2 HB THR 2 195.651 -10.686 -0.814 13 HG1 THR 2 HG1 THR 2 197.359 -8.572 -1.583 14 1HG2 THR 2 HG21 THR 2 194.941 -8.014 -2.015 15 2HG2 THR 2 HG22 THR 2 193.793 -9.168 -1.333 16 3HG2 THR 2 HG23 THR 2 194.732 -9.598 -2.761 17 H THR 3 HN THR 3 193.830 -10.260 1.053 18 HA THR 3 HA THR 3 192.405 -8.172 2.360 19 HB THR 3 HB THR 3 192.133 -7.402 0.039 20 HG1 THR 3 HG1 THR 3 189.796 -8.467 1.235 21 1HG2 THR 3 HG21 THR 3 191.425 -8.633 -1.693 22 2HG2 THR 3 HG22 THR 3 190.325 -9.592 -0.701 23 3HG2 THR 3 HG23 THR 3 192.046 -9.977 -0.734 24 H GLU 4 HN GLU 4 191.603 -9.375 3.953 25 HA GLU 4 HA GLU 4 190.871 -12.120 3.604 26 1HB GLU 4 HB2 GLU 4 190.357 -10.286 5.952 27 2HB GLU 4 HB1 GLU 4 190.235 -12.040 5.962 28 1HG GLU 4 HG2 GLU 4 192.801 -10.683 5.239 29 2HG GLU 4 HG1 GLU 4 192.345 -10.933 6.923 30 H ILE 5 HN ILE 5 188.978 -9.266 4.614 31 HA ILE 5 HA ILE 5 186.535 -10.649 3.785 32 HB ILE 5 HB ILE 5 186.742 -8.002 5.216 33 1HG1 ILE 5 HG12 ILE 5 187.839 -9.770 6.534 34 2HG1 ILE 5 HG11 ILE 5 186.342 -9.235 7.293 35 1HG2 ILE 5 HG21 ILE 5 184.602 -8.227 4.266 36 2HG2 ILE 5 HG22 ILE 5 184.414 -8.703 5.954 37 3HG2 ILE 5 HG23 ILE 5 184.502 -9.935 4.694 38 1HD1 ILE 5 HD11 ILE 5 185.489 -11.321 5.759 39 2HD1 ILE 5 HD12 ILE 5 185.895 -11.409 7.473 40 3HD1 ILE 5 HD13 ILE 5 187.094 -11.853 6.258 41 H LYS 6 HN LYS 6 185.343 -10.047 2.072 42 HA LYS 6 HA LYS 6 186.375 -7.867 0.414 43 1HB LYS 6 HB2 LYS 6 185.405 -10.453 -0.159 44 2HB LYS 6 HB1 LYS 6 184.221 -9.331 -0.814 45 1HG LYS 6 HG2 LYS 6 187.169 -9.375 -1.423 46 2HG LYS 6 HG1 LYS 6 185.864 -9.895 -2.490 47 1HD LYS 6 HD2 LYS 6 185.367 -7.790 -3.103 48 2HD LYS 6 HD1 LYS 6 185.564 -7.166 -1.465 49 1HE LYS 6 HE2 LYS 6 188.137 -7.807 -2.188 50 2HE LYS 6 HE1 LYS 6 187.445 -7.212 -3.697 51 1HZ LYS 6 HZ1 LYS 6 186.874 -5.166 -2.662 52 2HZ LYS 6 HZ2 LYS 6 188.493 -5.478 -2.284 53 3HZ LYS 6 HZ3 LYS 6 187.289 -5.741 -1.125 54 H LYS 7 HN LYS 7 185.309 -6.011 0.134 55 HA LYS 7 HA LYS 7 182.751 -5.677 1.492 56 1HB LYS 7 HB2 LYS 7 183.142 -3.308 1.320 57 2HB LYS 7 HB1 LYS 7 184.601 -4.084 1.918 58 1HG LYS 7 HG2 LYS 7 185.813 -3.457 0.147 59 2HG LYS 7 HG1 LYS 7 184.502 -3.785 -0.995 60 1HD LYS 7 HD2 LYS 7 183.523 -1.629 0.335 61 2HD LYS 7 HD1 LYS 7 185.254 -1.288 0.359 62 1HE LYS 7 HE2 LYS 7 185.389 -1.385 -2.014 63 2HE LYS 7 HE1 LYS 7 183.756 -2.037 -2.142 64 1HZ LYS 7 HZ1 LYS 7 183.531 0.200 -2.674 65 2HZ LYS 7 HZ2 LYS 7 184.588 0.713 -1.458 66 3HZ LYS 7 HZ3 LYS 7 183.049 0.141 -1.053 67 H LEU 8 HN LEU 8 181.576 -3.647 0.167 68 HA LEU 8 HA LEU 8 181.045 -4.745 -2.517 69 1HB LEU 8 HB2 LEU 8 179.257 -4.283 -0.287 70 2HB LEU 8 HB1 LEU 8 178.742 -3.384 -1.702 71 HG LEU 8 HG LEU 8 179.331 -6.338 -1.776 72 1HD1 LEU 8 HD11 LEU 8 177.516 -5.782 -0.155 73 2HD1 LEU 8 HD12 LEU 8 176.998 -6.770 -1.522 74 3HD1 LEU 8 HD13 LEU 8 176.626 -5.047 -1.488 75 1HD2 LEU 8 HD21 LEU 8 178.025 -4.377 -3.639 76 2HD2 LEU 8 HD22 LEU 8 177.758 -6.116 -3.770 77 3HD2 LEU 8 HD23 LEU 8 179.384 -5.457 -3.950 78 H ASP 9 HN ASP 9 180.681 -3.304 -4.185 79 HA ASP 9 HA ASP 9 181.871 -0.715 -3.862 80 1HB ASP 9 HB2 ASP 9 181.482 -2.479 -5.990 81 2HB ASP 9 HB1 ASP 9 180.472 -1.091 -6.383 82 HA PRO 10 HA PRO 10 178.425 1.857 -2.911 83 1HB PRO 10 HB2 PRO 10 179.368 3.574 -5.161 84 2HB PRO 10 HB1 PRO 10 179.010 4.010 -3.481 85 1HG PRO 10 HG2 PRO 10 181.528 3.786 -4.317 86 2HG PRO 10 HG1 PRO 10 181.050 3.221 -2.705 87 1HD PRO 10 HD2 PRO 10 181.639 1.647 -5.170 88 2HD PRO 10 HD1 PRO 10 181.965 1.250 -3.471 89 H ASP 11 HN ASP 11 179.059 1.670 -6.419 90 HA ASP 11 HA ASP 11 176.328 2.053 -7.129 91 1HB ASP 11 HB2 ASP 11 178.840 1.366 -8.579 92 2HB ASP 11 HB1 ASP 11 177.310 1.018 -9.377 93 H THR 12 HN THR 12 178.316 -0.733 -6.452 94 HA THR 12 HA THR 12 176.653 -2.695 -7.625 95 HB THR 12 HB THR 12 178.494 -3.048 -5.255 96 HG1 THR 12 HG1 THR 12 180.054 -3.556 -6.875 97 1HG2 THR 12 HG21 THR 12 177.796 -5.020 -7.412 98 2HG2 THR 12 HG22 THR 12 177.024 -4.976 -5.827 99 3HG2 THR 12 HG23 THR 12 178.752 -5.302 -5.957 100 H ALA 13 HN ALA 13 176.923 -1.530 -4.269 101 HA ALA 13 HA ALA 13 174.867 -3.164 -3.234 102 1HB ALA 13 HB1 ALA 13 174.842 -1.198 -1.466 103 2HB ALA 13 HB2 ALA 13 176.337 -0.759 -2.292 104 3HB ALA 13 HB3 ALA 13 176.175 -2.350 -1.549 105 H ILE 14 HN ILE 14 174.878 0.164 -4.446 106 HA ILE 14 HA ILE 14 172.219 0.809 -3.860 107 HB ILE 14 HB ILE 14 174.068 1.801 -6.028 108 1HG1 ILE 14 HG12 ILE 14 173.063 3.209 -3.553 109 2HG1 ILE 14 HG11 ILE 14 174.547 2.262 -3.579 110 1HG2 ILE 14 HG21 ILE 14 171.846 2.134 -6.861 111 2HG2 ILE 14 HG22 ILE 14 172.472 3.686 -6.301 112 3HG2 ILE 14 HG23 ILE 14 171.314 2.794 -5.314 113 1HD1 ILE 14 HD11 ILE 14 174.759 4.770 -3.871 114 2HD1 ILE 14 HD12 ILE 14 174.077 4.530 -5.480 115 3HD1 ILE 14 HD13 ILE 14 175.600 3.755 -5.042 116 H ASP 15 HN ASP 15 173.646 -0.937 -6.540 117 HA ASP 15 HA ASP 15 171.357 -0.948 -8.214 118 1HB ASP 15 HB2 ASP 15 173.967 -1.705 -8.522 119 2HB ASP 15 HB1 ASP 15 173.157 -3.266 -8.435 120 H ILE 16 HN ILE 16 172.613 -3.246 -5.822 121 HA ILE 16 HA ILE 16 170.659 -5.238 -6.237 122 HB ILE 16 HB ILE 16 172.139 -4.690 -3.662 123 1HG1 ILE 16 HG12 ILE 16 173.128 -6.774 -5.507 124 2HG1 ILE 16 HG11 ILE 16 173.346 -5.114 -6.065 125 1HG2 ILE 16 HG21 ILE 16 171.438 -6.699 -2.920 126 2HG2 ILE 16 HG22 ILE 16 171.496 -7.430 -4.524 127 3HG2 ILE 16 HG23 ILE 16 170.121 -6.428 -4.061 128 1HD1 ILE 16 HD11 ILE 16 174.187 -5.016 -3.449 129 2HD1 ILE 16 HD12 ILE 16 175.220 -5.131 -4.874 130 3HD1 ILE 16 HD13 ILE 16 174.752 -6.592 -4.004 131 H ALA 17 HN ALA 17 170.907 -2.765 -3.668 132 HA ALA 17 HA ALA 17 168.503 -3.315 -2.391 133 1HB ALA 17 HB1 ALA 17 168.643 -0.764 -1.828 134 2HB ALA 17 HB2 ALA 17 170.226 -0.891 -2.596 135 3HB ALA 17 HB3 ALA 17 169.845 -1.887 -1.192 136 H TYR 18 HN TYR 18 169.158 -1.226 -5.166 137 HA TYR 18 HA TYR 18 166.675 0.009 -5.393 138 1HB TYR 18 HB2 TYR 18 168.789 0.503 -6.714 139 2HB TYR 18 HB1 TYR 18 168.358 -0.858 -7.744 140 HD1 TYR 18 HD1 TYR 18 167.977 2.624 -7.202 141 HD2 TYR 18 HD2 TYR 18 166.002 -0.772 -8.835 142 HE1 TYR 18 HE1 TYR 18 166.551 4.108 -8.547 143 HE2 TYR 18 HE2 TYR 18 164.571 0.702 -10.186 144 HH TYR 18 HH TYR 18 163.765 3.245 -9.906 145 H ASP 19 HN ASP 19 167.808 -2.986 -6.958 146 HA ASP 19 HA ASP 19 165.401 -3.607 -8.252 147 1HB ASP 19 HB2 ASP 19 167.880 -4.682 -8.279 148 2HB ASP 19 HB1 ASP 19 167.042 -5.878 -7.287 149 H ILE 20 HN ILE 20 166.489 -4.160 -4.974 150 HA ILE 20 HA ILE 20 164.419 -6.011 -4.286 151 HB ILE 20 HB ILE 20 166.111 -4.309 -2.450 152 1HG1 ILE 20 HG12 ILE 20 166.610 -7.213 -2.985 153 2HG1 ILE 20 HG11 ILE 20 167.198 -6.014 -4.140 154 1HG2 ILE 20 HG21 ILE 20 165.522 -5.856 -0.716 155 2HG2 ILE 20 HG22 ILE 20 164.642 -6.873 -1.857 156 3HG2 ILE 20 HG23 ILE 20 164.036 -5.265 -1.460 157 1HD1 ILE 20 HD11 ILE 20 168.556 -6.900 -1.957 158 2HD1 ILE 20 HD12 ILE 20 167.843 -5.402 -1.358 159 3HD1 ILE 20 HD13 ILE 20 168.862 -5.380 -2.797 160 H PHE 21 HN PHE 21 164.713 -2.533 -4.327 161 HA PHE 21 HA PHE 21 162.423 -2.069 -2.656 162 1HB PHE 21 HB2 PHE 21 164.173 -0.394 -2.769 163 2HB PHE 21 HB1 PHE 21 163.987 -0.264 -4.514 164 HD1 PHE 21 HD1 PHE 21 161.639 -0.175 -1.617 165 HD2 PHE 21 HD2 PHE 21 163.076 1.739 -5.131 166 HE1 PHE 21 HE1 PHE 21 160.002 1.633 -1.293 167 HE2 PHE 21 HE2 PHE 21 161.446 3.554 -4.814 168 HZ PHE 21 HZ PHE 21 159.904 3.502 -2.894 169 H LEU 22 HN LEU 22 163.044 -2.641 -6.001 170 HA LEU 22 HA LEU 22 160.570 -1.585 -6.992 171 1HB LEU 22 HB2 LEU 22 163.015 -2.536 -8.048 172 2HB LEU 22 HB1 LEU 22 161.748 -3.549 -8.725 173 HG LEU 22 HG LEU 22 160.661 -1.652 -9.713 174 1HD1 LEU 22 HD11 LEU 22 160.753 0.219 -8.457 175 2HD1 LEU 22 HD12 LEU 22 162.182 0.561 -9.432 176 3HD1 LEU 22 HD13 LEU 22 162.359 -0.154 -7.830 177 1HD2 LEU 22 HD21 LEU 22 163.137 -2.608 -10.409 178 2HD2 LEU 22 HD22 LEU 22 163.359 -0.858 -10.447 179 3HD2 LEU 22 HD23 LEU 22 162.092 -1.607 -11.419 180 H GLU 23 HN GLU 23 161.756 -4.693 -5.917 181 HA GLU 23 HA GLU 23 159.287 -6.009 -6.760 182 1HB GLU 23 HB2 GLU 23 160.405 -8.091 -6.267 183 2HB GLU 23 HB1 GLU 23 161.454 -7.086 -7.257 184 1HG GLU 23 HG2 GLU 23 162.767 -6.482 -5.329 185 2HG GLU 23 HG1 GLU 23 161.669 -7.363 -4.268 186 H MET 24 HN MET 24 161.087 -5.230 -3.805 187 HA MET 24 HA MET 24 159.267 -6.643 -2.100 188 1HB MET 24 HB2 MET 24 161.416 -4.613 -1.504 189 2HB MET 24 HB1 MET 24 160.440 -5.377 -0.263 190 1HG MET 24 HG2 MET 24 161.264 -7.586 -1.394 191 2HG MET 24 HG1 MET 24 162.561 -6.544 -1.991 192 1HE MET 24 HE1 MET 24 161.594 -7.256 2.452 193 2HE MET 24 HE2 MET 24 160.488 -7.450 1.092 194 3HE MET 24 HE3 MET 24 160.924 -5.835 1.651 195 H ALA 25 HN ALA 25 159.835 -3.182 -2.763 196 HA ALA 25 HA ALA 25 157.973 -2.071 -1.075 197 1HB ALA 25 HB1 ALA 25 157.955 -0.150 -2.482 198 2HB ALA 25 HB2 ALA 25 158.449 -1.099 -3.884 199 3HB ALA 25 HB3 ALA 25 159.576 -0.842 -2.551 200 H GLY 26 HN GLY 26 155.918 -2.652 -0.779 201 1HA GLY 26 HA2 GLY 26 153.992 -2.380 -2.846 202 2HA GLY 26 HA1 GLY 26 154.321 -4.078 -2.547 203 H GLU 27 HN GLU 27 153.546 -5.050 -0.708 204 HA GLU 27 HA GLU 27 151.493 -3.542 0.711 205 1HB GLU 27 HB2 GLU 27 152.119 -6.476 0.475 206 2HB GLU 27 HB1 GLU 27 150.957 -5.868 1.647 207 1HG GLU 27 HG2 GLU 27 150.417 -4.776 -0.954 208 2HG GLU 27 HG1 GLU 27 150.501 -6.536 -1.026 209 H ASN 28 HN ASN 28 154.711 -4.208 1.190 210 HA ASN 28 HA ASN 28 154.517 -4.611 4.066 211 1HB ASN 28 HB2 ASN 28 156.673 -4.790 2.031 212 2HB ASN 28 HB1 ASN 28 157.160 -4.321 3.667 213 1HD2 ASN 28 HD21 ASN 28 157.603 -5.904 5.010 214 2HD2 ASN 28 HD22 ASN 28 157.070 -7.541 4.870 215 H LEU 29 HN LEU 29 155.264 -2.103 1.757 216 HA LEU 29 HA LEU 29 156.105 -0.268 3.861 217 1HB LEU 29 HB2 LEU 29 157.461 -0.139 1.946 218 2HB LEU 29 HB1 LEU 29 156.088 -0.158 0.862 219 HG LEU 29 HG LEU 29 156.283 2.168 2.691 220 1HD1 LEU 29 HD11 LEU 29 158.378 1.435 0.744 221 2HD1 LEU 29 HD12 LEU 29 158.466 2.450 2.183 222 3HD1 LEU 29 HD13 LEU 29 157.797 3.099 0.686 223 1HD2 LEU 29 HD21 LEU 29 155.629 1.784 -0.231 224 2HD2 LEU 29 HD22 LEU 29 155.523 3.313 0.636 225 3HD2 LEU 29 HD23 LEU 29 154.472 1.970 1.084 226 H ASP 30 HN ASP 30 154.944 1.470 4.541 227 HA ASP 30 HA ASP 30 152.214 1.398 4.633 228 1HB ASP 30 HB2 ASP 30 154.256 3.223 5.443 229 2HB ASP 30 HB1 ASP 30 152.920 4.144 4.761 230 HA PRO 31 HA PRO 31 150.477 2.285 0.657 231 1HB PRO 31 HB2 PRO 31 148.654 3.938 2.370 232 2HB PRO 31 HB1 PRO 31 148.255 2.821 1.053 233 1HG PRO 31 HG2 PRO 31 147.983 2.070 3.591 234 2HG PRO 31 HG1 PRO 31 148.594 0.941 2.368 235 1HD PRO 31 HD2 PRO 31 150.044 2.331 4.552 236 2HD PRO 31 HD1 PRO 31 150.396 0.776 3.768 237 H ALA 32 HN ALA 32 150.328 5.133 2.836 238 HA ALA 32 HA ALA 32 150.350 7.120 0.944 239 1HB ALA 32 HB1 ALA 32 150.104 7.508 3.363 240 2HB ALA 32 HB2 ALA 32 151.288 8.592 2.631 241 3HB ALA 32 HB3 ALA 32 151.828 7.202 3.574 242 H ASP 33 HN ASP 33 153.224 5.814 2.554 243 HA ASP 33 HA ASP 33 155.182 7.143 1.164 244 1HB ASP 33 HB2 ASP 33 155.198 4.336 2.276 245 2HB ASP 33 HB1 ASP 33 156.641 5.138 1.661 246 H ILE 34 HN ILE 34 153.165 4.538 0.068 247 HA ILE 34 HA ILE 34 154.744 3.735 -2.157 248 HB ILE 34 HB ILE 34 151.741 3.542 -1.878 249 1HG1 ILE 34 HG12 ILE 34 153.872 1.556 -1.060 250 2HG1 ILE 34 HG11 ILE 34 152.890 2.520 0.046 251 1HG2 ILE 34 HG21 ILE 34 153.708 2.039 -3.589 252 2HG2 ILE 34 HG22 ILE 34 152.456 3.157 -4.132 253 3HG2 ILE 34 HG23 ILE 34 152.006 1.615 -3.403 254 1HD1 ILE 34 HD11 ILE 34 151.635 0.663 0.104 255 2HD1 ILE 34 HD12 ILE 34 152.220 0.087 -1.457 256 3HD1 ILE 34 HD13 ILE 34 150.958 1.317 -1.387 257 H LEU 35 HN LEU 35 151.873 5.805 -1.882 258 HA LEU 35 HA LEU 35 151.595 6.621 -4.489 259 1HB LEU 35 HB2 LEU 35 150.059 7.164 -2.616 260 2HB LEU 35 HB1 LEU 35 151.215 8.354 -2.048 261 HG LEU 35 HG LEU 35 150.781 9.040 -4.712 262 1HD1 LEU 35 HD11 LEU 35 148.178 8.303 -3.383 263 2HD1 LEU 35 HD12 LEU 35 148.862 7.571 -4.835 264 3HD1 LEU 35 HD13 LEU 35 148.337 9.255 -4.859 265 1HD2 LEU 35 HD21 LEU 35 149.302 10.255 -2.400 266 2HD2 LEU 35 HD22 LEU 35 149.958 11.048 -3.832 267 3HD2 LEU 35 HD23 LEU 35 151.047 10.435 -2.587 268 H LEU 36 HN LEU 36 153.367 8.463 -1.982 269 HA LEU 36 HA LEU 36 154.447 10.414 -3.609 270 1HB LEU 36 HB2 LEU 36 155.300 9.150 -1.051 271 2HB LEU 36 HB1 LEU 36 156.445 10.192 -1.874 272 HG LEU 36 HG LEU 36 155.145 11.365 -0.129 273 1HD1 LEU 36 HD11 LEU 36 155.187 12.155 -2.974 274 2HD1 LEU 36 HD12 LEU 36 155.880 12.951 -1.561 275 3HD1 LEU 36 HD13 LEU 36 154.157 13.106 -1.904 276 1HD2 LEU 36 HD21 LEU 36 152.744 11.202 -1.904 277 2HD2 LEU 36 HD22 LEU 36 152.848 11.634 -0.198 278 3HD2 LEU 36 HD23 LEU 36 153.047 9.954 -0.695 279 H PHE 37 HN PHE 37 155.633 7.170 -2.970 280 HA PHE 37 HA PHE 37 158.083 7.385 -4.361 281 1HB PHE 37 HB2 PHE 37 157.975 5.561 -2.907 282 2HB PHE 37 HB1 PHE 37 156.365 5.100 -3.443 283 HD1 PHE 37 HD1 PHE 37 159.395 5.750 -5.496 284 HD2 PHE 37 HD2 PHE 37 156.605 2.876 -4.058 285 HE1 PHE 37 HE1 PHE 37 160.378 4.055 -6.984 286 HE2 PHE 37 HE2 PHE 37 157.584 1.177 -5.543 287 HZ PHE 37 HZ PHE 37 159.473 1.765 -7.009 288 H ASN 38 HN ASN 38 154.801 6.678 -5.371 289 HA ASN 38 HA ASN 38 155.578 5.837 -8.016 290 1HB ASN 38 HB2 ASN 38 152.891 6.466 -6.786 291 2HB ASN 38 HB1 ASN 38 153.097 5.929 -8.450 292 1HD2 ASN 38 HD21 ASN 38 151.959 4.046 -8.162 293 2HD2 ASN 38 HD22 ASN 38 152.567 2.715 -7.224 294 H LEU 39 HN LEU 39 154.290 8.752 -6.514 295 HA LEU 39 HA LEU 39 154.001 10.153 -9.000 296 1HB LEU 39 HB2 LEU 39 153.830 10.987 -6.116 297 2HB LEU 39 HB1 LEU 39 153.656 12.129 -7.432 298 HG LEU 39 HG LEU 39 151.570 11.388 -7.989 299 1HD1 LEU 39 HD11 LEU 39 152.178 8.684 -6.809 300 2HD1 LEU 39 HD12 LEU 39 152.264 9.095 -8.521 301 3HD1 LEU 39 HD13 LEU 39 150.715 9.143 -7.679 302 1HD2 LEU 39 HD21 LEU 39 151.350 12.184 -5.756 303 2HD2 LEU 39 HD22 LEU 39 151.881 10.637 -5.094 304 3HD2 LEU 39 HD23 LEU 39 150.325 10.758 -5.917 305 H GLN 40 HN GLN 40 156.363 10.159 -6.351 306 HA GLN 40 HA GLN 40 158.151 11.704 -8.101 307 1HB GLN 40 HB2 GLN 40 159.083 12.724 -5.973 308 2HB GLN 40 HB1 GLN 40 157.491 13.276 -6.473 309 1HG GLN 40 HG2 GLN 40 156.431 11.906 -4.816 310 2HG GLN 40 HG1 GLN 40 157.967 11.152 -4.397 311 1HE2 GLN 40 HE21 GLN 40 155.959 13.956 -4.040 312 2HE2 GLN 40 HE22 GLN 40 156.916 14.740 -2.835 313 H PHE 41 HN PHE 41 159.619 10.295 -8.738 314 HA PHE 41 HA PHE 41 161.478 9.210 -6.875 315 1HB PHE 41 HB2 PHE 41 159.550 7.545 -6.815 316 2HB PHE 41 HB1 PHE 41 159.974 7.144 -8.482 317 HD1 PHE 41 HD1 PHE 41 161.266 7.215 -5.014 318 HD2 PHE 41 HD2 PHE 41 161.748 5.683 -8.955 319 HE1 PHE 41 HE1 PHE 41 162.977 5.650 -4.191 320 HE2 PHE 41 HE2 PHE 41 163.459 4.114 -8.139 321 HZ PHE 41 HZ PHE 41 164.077 4.097 -5.754 322 H GLU 42 HN GLU 42 160.178 8.991 -10.171 323 HA GLU 42 HA GLU 42 162.610 8.271 -11.422 324 1HB GLU 42 HB2 GLU 42 160.520 7.924 -12.568 325 2HB GLU 42 HB1 GLU 42 160.120 9.633 -12.450 326 1HG GLU 42 HG2 GLU 42 160.791 9.185 -14.685 327 2HG GLU 42 HG1 GLU 42 162.064 10.128 -13.911 328 H GLU 43 HN GLU 43 161.177 11.276 -10.455 329 HA GLU 43 HA GLU 43 163.475 12.756 -11.553 330 1HB GLU 43 HB2 GLU 43 160.801 13.240 -11.970 331 2HB GLU 43 HB1 GLU 43 161.183 14.354 -10.665 332 1HG GLU 43 HG2 GLU 43 162.411 15.682 -11.985 333 2HG GLU 43 HG1 GLU 43 163.126 14.327 -12.858 334 H ARG 44 HN ARG 44 161.760 11.882 -8.681 335 HA ARG 44 HA ARG 44 163.637 13.501 -7.106 336 1HB ARG 44 HB2 ARG 44 160.759 13.655 -7.141 337 2HB ARG 44 HB1 ARG 44 161.319 13.173 -5.546 338 1HG ARG 44 HG2 ARG 44 161.761 15.292 -5.105 339 2HG ARG 44 HG1 ARG 44 163.003 15.261 -6.357 340 1HD ARG 44 HD2 ARG 44 160.401 15.533 -7.548 341 2HD ARG 44 HD1 ARG 44 160.638 16.773 -6.317 342 HE ARG 44 HE ARG 44 162.857 16.477 -8.125 343 1HH1 ARG 44 HH11 ARG 44 159.792 18.054 -7.578 344 2HH1 ARG 44 HH12 ARG 44 160.148 19.385 -8.626 345 1HH2 ARG 44 HH21 ARG 44 163.327 18.227 -9.504 346 2HH2 ARG 44 HH22 ARG 44 162.154 19.484 -9.721 347 H GLY 45 HN GLY 45 163.802 10.716 -7.935 348 1HA GLY 45 HA2 GLY 45 163.611 9.429 -5.279 349 2HA GLY 45 HA1 GLY 45 163.356 8.562 -6.786 350 H GLY 46 HN GLY 46 165.541 9.226 -4.385 351 1HA GLY 46 HA2 GLY 46 167.769 8.315 -6.094 352 2HA GLY 46 HA1 GLY 46 168.000 9.599 -4.916 353 H VAL 47 HN VAL 47 169.588 7.347 -4.809 354 HA VAL 47 HA VAL 47 168.792 6.255 -2.228 355 HB VAL 47 HB VAL 47 169.627 4.477 -4.527 356 1HG1 VAL 47 HG11 VAL 47 170.179 3.988 -1.972 357 2HG1 VAL 47 HG12 VAL 47 169.712 2.713 -3.096 358 3HG1 VAL 47 HG13 VAL 47 168.517 3.402 -1.998 359 1HG2 VAL 47 HG21 VAL 47 167.278 3.518 -4.092 360 2HG2 VAL 47 HG22 VAL 47 167.412 5.024 -5.001 361 3HG2 VAL 47 HG23 VAL 47 166.956 5.060 -3.297 362 H GLU 48 HN GLU 48 170.469 6.455 -0.889 363 HA GLU 48 HA GLU 48 173.174 6.568 -2.049 364 1HB GLU 48 HB2 GLU 48 172.226 8.608 -0.844 365 2HB GLU 48 HB1 GLU 48 172.367 7.671 0.636 366 1HG GLU 48 HG2 GLU 48 174.261 9.206 0.238 367 2HG GLU 48 HG1 GLU 48 174.738 7.517 0.394 368 H PHE 49 HN PHE 49 174.934 5.825 -0.601 369 HA PHE 49 HA PHE 49 174.113 3.365 0.785 370 1HB PHE 49 HB2 PHE 49 175.613 3.078 -1.164 371 2HB PHE 49 HB1 PHE 49 176.816 4.087 -0.368 372 HD1 PHE 49 HD1 PHE 49 175.619 0.789 -0.841 373 HD2 PHE 49 HD2 PHE 49 177.655 3.291 1.934 374 HE1 PHE 49 HE1 PHE 49 176.543 -1.202 0.269 375 HE2 PHE 49 HE2 PHE 49 178.584 1.304 3.050 376 HZ PHE 49 HZ PHE 49 178.028 -0.946 2.217 377 H VAL 50 HN VAL 50 173.950 3.698 2.905 378 HA VAL 50 HA VAL 50 175.909 5.438 4.235 379 HB VAL 50 HB VAL 50 174.281 5.206 6.205 380 1HG1 VAL 50 HG11 VAL 50 174.431 7.280 5.078 381 2HG1 VAL 50 HG12 VAL 50 172.712 6.900 5.184 382 3HG1 VAL 50 HG13 VAL 50 173.577 6.657 3.666 383 1HG2 VAL 50 HG21 VAL 50 172.256 4.230 5.962 384 2HG2 VAL 50 HG22 VAL 50 173.105 3.291 4.734 385 3HG2 VAL 50 HG23 VAL 50 172.124 4.677 4.261 386 H GLU 51 HN GLU 51 176.087 4.643 6.709 387 HA GLU 51 HA GLU 51 177.216 1.946 6.524 388 1HB GLU 51 HB2 GLU 51 177.753 4.320 8.271 389 2HB GLU 51 HB1 GLU 51 178.209 2.715 8.824 390 1HG GLU 51 HG2 GLU 51 179.935 2.572 7.403 391 2HG GLU 51 HG1 GLU 51 179.056 3.359 6.093 392 H THR 52 HN THR 52 177.271 1.017 9.001 393 HA THR 52 HA THR 52 174.461 0.519 9.581 394 HB THR 52 HB THR 52 176.992 -0.795 10.591 395 HG1 THR 52 HG1 THR 52 175.056 -1.517 8.663 396 1HG2 THR 52 HG21 THR 52 174.133 -1.616 11.051 397 2HG2 THR 52 HG22 THR 52 175.281 -1.069 12.274 398 3HG2 THR 52 HG23 THR 52 175.556 -2.590 11.425 399 H ALA 53 HN ALA 53 173.752 0.390 11.861 400 HA ALA 53 HA ALA 53 174.520 2.792 13.274 401 1HB ALA 53 HB1 ALA 53 172.174 1.299 13.049 402 2HB ALA 53 HB2 ALA 53 172.438 2.715 14.066 403 3HB ALA 53 HB3 ALA 53 172.685 1.095 14.728 404 H ASP 54 HN ASP 54 174.012 1.909 15.926 405 HA ASP 54 HA ASP 54 176.583 0.678 16.500 406 1HB ASP 54 HB2 ASP 54 174.596 2.280 18.028 407 2HB ASP 54 HB1 ASP 54 175.564 1.129 18.943 408 H ASP 55 HN ASP 55 173.128 0.129 17.140 409 HA ASP 55 HA ASP 55 173.374 -2.682 16.969 410 1HB ASP 55 HB2 ASP 55 174.257 -1.797 19.391 411 2HB ASP 55 HB1 ASP 55 172.548 -2.049 19.732 412 H TRP 56 HN TRP 56 171.441 -3.408 16.330 413 HA TRP 56 HA TRP 56 169.156 -1.631 16.508 414 1HB TRP 56 HB2 TRP 56 169.609 -4.245 15.067 415 2HB TRP 56 HB1 TRP 56 168.057 -3.400 15.071 416 HD1 TRP 56 HD1 TRP 56 171.354 -1.460 14.750 417 HE1 TRP 56 HE1 TRP 56 171.436 -0.393 12.409 418 HE3 TRP 56 HE3 TRP 56 167.217 -3.645 12.715 419 HZ2 TRP 56 HZ2 TRP 56 169.938 -0.472 10.024 420 HZ3 TRP 56 HZ3 TRP 56 166.599 -3.098 10.402 421 HH2 TRP 56 HH2 TRP 56 167.928 -1.542 9.080 422 H GLU 57 HN GLU 57 169.238 -5.172 16.833 423 HA GLU 57 HA GLU 57 167.954 -6.560 18.123 424 1HB GLU 57 HB2 GLU 57 169.044 -4.636 20.180 425 2HB GLU 57 HB1 GLU 57 168.284 -6.173 20.571 426 1HG GLU 57 HG2 GLU 57 170.305 -6.620 18.620 427 2HG GLU 57 HG1 GLU 57 170.982 -5.660 19.935 428 H GLU 58 HN GLU 58 166.478 -4.324 16.968 429 HA GLU 58 HA GLU 58 164.137 -4.505 18.652 430 1HB GLU 58 HB2 GLU 58 165.777 -2.075 18.473 431 2HB GLU 58 HB1 GLU 58 164.060 -1.816 18.191 432 1HG GLU 58 HG2 GLU 58 163.563 -2.910 20.333 433 2HG GLU 58 HG1 GLU 58 165.292 -3.101 20.618 434 H GLU 59 HN GLU 59 165.625 -3.221 15.699 435 HA GLU 59 HA GLU 59 163.075 -2.819 14.423 436 1HB GLU 59 HB2 GLU 59 165.930 -2.541 13.557 437 2HB GLU 59 HB1 GLU 59 164.621 -2.439 12.388 438 1HG GLU 59 HG2 GLU 59 165.092 -0.664 14.766 439 2HG GLU 59 HG1 GLU 59 165.239 -0.233 13.061 440 H ILE 60 HN ILE 60 165.875 -4.687 13.197 441 HA ILE 60 HA ILE 60 164.082 -6.456 11.801 442 HB ILE 60 HB ILE 60 166.134 -7.548 10.972 443 1HG1 ILE 60 HG12 ILE 60 167.538 -5.500 12.704 444 2HG1 ILE 60 HG11 ILE 60 167.601 -7.254 12.882 445 1HG2 ILE 60 HG21 ILE 60 167.082 -5.147 10.083 446 2HG2 ILE 60 HG22 ILE 60 165.455 -4.723 10.615 447 3HG2 ILE 60 HG23 ILE 60 165.687 -5.996 9.418 448 1HD1 ILE 60 HD11 ILE 60 169.584 -6.843 11.831 449 2HD1 ILE 60 HD12 ILE 60 168.940 -5.498 10.888 450 3HD1 ILE 60 HD13 ILE 60 168.541 -7.159 10.447 451 H GLY 61 HN GLY 61 166.473 -6.786 14.421 452 1HA GLY 61 HA2 GLY 61 165.743 -8.227 16.304 453 2HA GLY 61 HA1 GLY 61 165.196 -9.369 15.087 454 H VAL 62 HN VAL 62 168.129 -7.664 16.134 455 HA VAL 62 HA VAL 62 169.678 -9.903 16.623 456 HB VAL 62 HB VAL 62 169.437 -10.351 14.187 457 1HG1 VAL 62 HG11 VAL 62 170.283 -8.948 12.528 458 2HG1 VAL 62 HG12 VAL 62 171.203 -7.984 13.683 459 3HG1 VAL 62 HG13 VAL 62 169.446 -7.851 13.627 460 1HG2 VAL 62 HG21 VAL 62 171.337 -11.280 15.271 461 2HG2 VAL 62 HG22 VAL 62 172.190 -9.738 15.237 462 3HG2 VAL 62 HG23 VAL 62 171.891 -10.613 13.736 463 H LEU 63 HN LEU 63 171.839 -9.371 17.235 464 HA LEU 63 HA LEU 63 172.151 -6.746 18.165 465 1HB LEU 63 HB2 LEU 63 173.155 -8.861 19.130 466 2HB LEU 63 HB1 LEU 63 174.375 -8.735 17.877 467 HG LEU 63 HG LEU 63 174.009 -6.306 19.508 468 1HD1 LEU 63 HD11 LEU 63 175.170 -8.825 20.689 469 2HD1 LEU 63 HD12 LEU 63 173.729 -7.971 21.244 470 3HD1 LEU 63 HD13 LEU 63 175.314 -7.210 21.384 471 1HD2 LEU 63 HD21 LEU 63 176.596 -7.703 19.107 472 2HD2 LEU 63 HD22 LEU 63 176.215 -5.982 19.046 473 3HD2 LEU 63 HD23 LEU 63 175.796 -7.027 17.688 474 H ILE 64 HN ILE 64 172.531 -7.832 15.139 475 HA ILE 64 HA ILE 64 173.398 -6.985 13.213 476 HB ILE 64 HB ILE 64 173.950 -4.427 14.685 477 1HG1 ILE 64 HG12 ILE 64 171.659 -5.299 15.240 478 2HG1 ILE 64 HG11 ILE 64 171.672 -3.748 14.413 479 1HG2 ILE 64 HG21 ILE 64 173.639 -5.274 11.875 480 2HG2 ILE 64 HG22 ILE 64 174.656 -4.017 12.580 481 3HG2 ILE 64 HG23 ILE 64 172.940 -3.714 12.310 482 1HD1 ILE 64 HD11 ILE 64 171.456 -6.109 12.679 483 2HD1 ILE 64 HD12 ILE 64 170.625 -4.556 12.601 484 3HD1 ILE 64 HD13 ILE 64 170.080 -5.793 13.734 485 H ASP 65 HN ASP 65 175.295 -6.967 12.167 486 HA ASP 65 HA ASP 65 177.745 -6.819 13.795 487 1HB ASP 65 HB2 ASP 65 176.846 -8.909 12.195 488 2HB ASP 65 HB1 ASP 65 178.056 -8.106 11.199 489 HA PRO 66 HA PRO 66 177.726 -3.057 11.081 490 1HB PRO 66 HB2 PRO 66 179.779 -2.322 13.082 491 2HB PRO 66 HB1 PRO 66 178.419 -1.378 12.463 492 1HG PRO 66 HG2 PRO 66 178.390 -2.464 14.927 493 2HG PRO 66 HG1 PRO 66 176.923 -2.299 13.946 494 1HD PRO 66 HD2 PRO 66 178.523 -4.724 14.569 495 2HD PRO 66 HD1 PRO 66 176.785 -4.563 14.251 496 H GLU 67 HN GLU 67 179.576 -2.011 9.989 497 HA GLU 67 HA GLU 67 181.364 -2.171 8.592 498 1HB GLU 67 HB2 GLU 67 182.391 -3.522 11.071 499 2HB GLU 67 HB1 GLU 67 183.398 -3.385 9.636 500 1HG GLU 67 HG2 GLU 67 182.156 -0.866 10.389 501 2HG GLU 67 HG1 GLU 67 183.183 -1.536 11.655 502 H GLU 68 HN GLU 68 179.339 -4.549 8.954 503 HA GLU 68 HA GLU 68 180.768 -6.341 7.132 504 1HB GLU 68 HB2 GLU 68 179.014 -7.237 9.421 505 2HB GLU 68 HB1 GLU 68 179.845 -8.286 8.277 506 1HG GLU 68 HG2 GLU 68 181.943 -7.795 9.170 507 2HG GLU 68 HG1 GLU 68 181.344 -6.357 10.007 508 H TYR 69 HN TYR 69 178.135 -4.384 7.630 509 HA TYR 69 HA TYR 69 176.605 -5.803 5.564 510 1HB TYR 69 HB2 TYR 69 175.522 -4.531 8.084 511 2HB TYR 69 HB1 TYR 69 174.507 -4.939 6.695 512 HD1 TYR 69 HD1 TYR 69 174.325 -7.361 6.001 513 HD2 TYR 69 HD2 TYR 69 176.131 -6.165 9.663 514 HE1 TYR 69 HE1 TYR 69 174.061 -9.643 6.870 515 HE2 TYR 69 HE2 TYR 69 175.871 -8.445 10.542 516 HH TYR 69 HH TYR 69 173.947 -10.544 9.675 517 H ALA 70 HN ALA 70 175.654 -4.541 4.018 518 HA ALA 70 HA ALA 70 176.590 -1.783 3.892 519 1HB ALA 70 HB1 ALA 70 175.315 -2.121 1.551 520 2HB ALA 70 HB2 ALA 70 175.695 -3.801 1.933 521 3HB ALA 70 HB3 ALA 70 176.988 -2.607 1.825 522 H GLU 71 HN GLU 71 175.344 -0.101 4.392 523 HA GLU 71 HA GLU 71 172.468 -0.545 4.747 524 1HB GLU 71 HB2 GLU 71 173.884 0.403 6.610 525 2HB GLU 71 HB1 GLU 71 174.106 1.836 5.621 526 1HG GLU 71 HG2 GLU 71 172.388 2.363 7.116 527 2HG GLU 71 HG1 GLU 71 171.585 2.037 5.580 528 H VAL 72 HN VAL 72 171.123 0.107 3.207 529 HA VAL 72 HA VAL 72 171.926 2.390 1.529 530 HB VAL 72 HB VAL 72 170.855 -0.270 0.744 531 1HG1 VAL 72 HG11 VAL 72 169.930 2.310 -0.456 532 2HG1 VAL 72 HG12 VAL 72 169.012 0.846 -0.106 533 3HG1 VAL 72 HG13 VAL 72 170.129 0.882 -1.470 534 1HG2 VAL 72 HG21 VAL 72 173.114 0.128 0.230 535 2HG2 VAL 72 HG22 VAL 72 172.772 1.747 -0.383 536 3HG2 VAL 72 HG23 VAL 72 172.250 0.330 -1.294 537 H TRP 73 HN TRP 73 170.485 3.960 1.193 538 HA TRP 73 HA TRP 73 167.833 3.654 2.446 539 1HB TRP 73 HB2 TRP 73 169.855 5.791 2.591 540 2HB TRP 73 HB1 TRP 73 168.215 6.364 2.308 541 HD1 TRP 73 HD1 TRP 73 167.864 3.341 4.305 542 HE1 TRP 73 HE1 TRP 73 167.566 3.900 6.794 543 HE3 TRP 73 HE3 TRP 73 169.356 8.238 4.253 544 HZ2 TRP 73 HZ2 TRP 73 167.924 6.072 8.511 545 HZ3 TRP 73 HZ3 TRP 73 169.352 9.484 6.376 546 HH2 TRP 73 HH2 TRP 73 168.650 8.425 8.463 547 H VAL 74 HN VAL 74 166.021 4.307 1.329 548 HA VAL 74 HA VAL 74 166.451 5.344 -1.390 549 HB VAL 74 HB VAL 74 164.390 3.256 -0.679 550 1HG1 VAL 74 HG11 VAL 74 163.511 3.608 -2.692 551 2HG1 VAL 74 HG12 VAL 74 165.093 3.531 -3.469 552 3HG1 VAL 74 HG13 VAL 74 164.513 5.056 -2.796 553 1HG2 VAL 74 HG21 VAL 74 165.800 1.597 -1.243 554 2HG2 VAL 74 HG22 VAL 74 167.055 2.767 -0.841 555 3HG2 VAL 74 HG23 VAL 74 166.565 2.542 -2.520 556 H GLY 75 HN GLY 75 165.719 7.355 -1.205 557 1HA GLY 75 HA2 GLY 75 162.890 7.733 -0.608 558 2HA GLY 75 HA1 GLY 75 164.017 8.596 0.426 559 H LEU 76 HN LEU 76 162.616 10.366 -0.565 560 HA LEU 76 HA LEU 76 163.677 11.204 -3.181 561 1HB LEU 76 HB2 LEU 76 161.388 12.554 -1.744 562 2HB LEU 76 HB1 LEU 76 161.804 12.649 -3.438 563 HG LEU 76 HG LEU 76 159.949 11.323 -3.516 564 1HD1 LEU 76 HD11 LEU 76 162.387 9.634 -3.450 565 2HD1 LEU 76 HD12 LEU 76 161.278 9.982 -4.775 566 3HD1 LEU 76 HD13 LEU 76 160.817 8.836 -3.516 567 1HD2 LEU 76 HD21 LEU 76 160.242 11.059 -0.836 568 2HD2 LEU 76 HD22 LEU 76 160.552 9.409 -1.377 569 3HD2 LEU 76 HD23 LEU 76 159.036 10.206 -1.801 570 H VAL 77 HN VAL 77 164.466 13.420 -3.450 571 HA VAL 77 HA VAL 77 164.987 14.920 -1.025 572 HB VAL 77 HB VAL 77 167.440 14.634 -2.620 573 1HG1 VAL 77 HG11 VAL 77 168.386 15.274 -0.701 574 2HG1 VAL 77 HG12 VAL 77 167.520 14.058 0.238 575 3HG1 VAL 77 HG13 VAL 77 166.742 15.592 -0.147 576 1HG2 VAL 77 HG21 VAL 77 166.525 12.294 -2.641 577 2HG2 VAL 77 HG22 VAL 77 166.633 12.307 -0.881 578 3HG2 VAL 77 HG23 VAL 77 168.093 12.473 -1.856 579 H ASN 78 HN ASN 78 166.826 16.719 -1.996 580 HA ASN 78 HA ASN 78 165.284 18.020 -4.129 581 1HB ASN 78 HB2 ASN 78 167.271 19.257 -2.211 582 2HB ASN 78 HB1 ASN 78 166.229 20.119 -3.340 583 1HD2 ASN 78 HD21 ASN 78 166.434 18.466 -0.321 584 2HD2 ASN 78 HD22 ASN 78 164.850 18.861 0.246 585 H GLU 79 HN GLU 79 167.063 19.837 -5.083 586 HA GLU 79 HA GLU 79 168.724 18.192 -6.758 587 1HB GLU 79 HB2 GLU 79 168.244 21.168 -6.646 588 2HB GLU 79 HB1 GLU 79 169.330 20.412 -7.803 589 1HG GLU 79 HG2 GLU 79 167.172 18.943 -8.280 590 2HG GLU 79 HG1 GLU 79 166.374 20.395 -7.677 591 H GLN 80 HN GLN 80 169.175 19.782 -3.797 592 HA GLN 80 HA GLN 80 171.926 20.486 -4.115 593 1HB GLN 80 HB2 GLN 80 171.855 20.633 -1.579 594 2HB GLN 80 HB1 GLN 80 170.754 21.690 -2.459 595 1HG GLN 80 HG2 GLN 80 168.888 20.359 -1.922 596 2HG GLN 80 HG1 GLN 80 169.901 19.027 -1.366 597 1HE2 GLN 80 HE21 GLN 80 168.455 22.049 -0.572 598 2HE2 GLN 80 HE22 GLN 80 168.893 22.068 1.099 599 H ASP 81 HN ASP 81 170.456 17.513 -3.940 600 HA ASP 81 HA ASP 81 171.239 15.400 -3.670 601 1HB ASP 81 HB2 ASP 81 173.430 16.851 -4.567 602 2HB ASP 81 HB1 ASP 81 174.042 16.012 -3.146 603 H GLU 82 HN GLU 82 170.174 15.119 -1.710 604 HA GLU 82 HA GLU 82 171.938 14.764 0.564 605 1HB GLU 82 HB2 GLU 82 170.018 16.952 0.366 606 2HB GLU 82 HB1 GLU 82 169.739 15.945 1.779 607 1HG GLU 82 HG2 GLU 82 172.418 17.117 1.091 608 2HG GLU 82 HG1 GLU 82 171.240 17.921 2.127 609 H MET 83 HN MET 83 170.072 14.188 2.503 610 HA MET 83 HA MET 83 168.018 12.474 1.461 611 1HB MET 83 HB2 MET 83 170.532 11.335 1.638 612 2HB MET 83 HB1 MET 83 169.752 10.827 3.130 613 1HG MET 83 HG2 MET 83 168.194 9.562 2.055 614 2HG MET 83 HG1 MET 83 168.227 10.557 0.601 615 1HE MET 83 HE1 MET 83 168.184 9.157 -1.010 616 2HE MET 83 HE2 MET 83 168.508 7.459 -0.660 617 3HE MET 83 HE3 MET 83 169.594 8.364 -1.714 618 H ASP 84 HN ASP 84 166.644 13.633 2.771 619 HA ASP 84 HA ASP 84 166.988 13.210 5.667 620 1HB ASP 84 HB2 ASP 84 165.686 15.280 6.010 621 2HB ASP 84 HB1 ASP 84 167.169 15.577 5.108 622 H ASP 85 HN ASP 85 165.133 12.439 2.968 623 HA ASP 85 HA ASP 85 162.918 11.565 4.694 624 1HB ASP 85 HB2 ASP 85 162.841 13.119 2.162 625 2HB ASP 85 HB1 ASP 85 161.621 11.855 2.360 626 H VAL 86 HN VAL 86 163.940 9.523 4.827 627 HA VAL 86 HA VAL 86 164.294 7.996 2.372 628 HB VAL 86 HB VAL 86 166.042 7.569 3.884 629 1HG1 VAL 86 HG11 VAL 86 163.918 7.388 6.001 630 2HG1 VAL 86 HG12 VAL 86 165.270 8.516 5.895 631 3HG1 VAL 86 HG13 VAL 86 165.567 6.816 6.257 632 1HG2 VAL 86 HG21 VAL 86 164.073 5.319 4.288 633 2HG2 VAL 86 HG22 VAL 86 165.819 5.223 4.506 634 3HG2 VAL 86 HG23 VAL 86 165.147 5.517 2.902 635 H PHE 87 HN PHE 87 163.050 6.279 1.746 636 HA PHE 87 HA PHE 87 160.484 6.008 3.125 637 1HB PHE 87 HB2 PHE 87 161.397 5.646 0.325 638 2HB PHE 87 HB1 PHE 87 160.137 4.553 0.881 639 HD1 PHE 87 HD1 PHE 87 158.932 6.721 2.811 640 HD2 PHE 87 HD2 PHE 87 159.972 6.669 -1.314 641 HE1 PHE 87 HE1 PHE 87 157.252 8.448 2.375 642 HE2 PHE 87 HE2 PHE 87 158.287 8.401 -1.763 643 HZ PHE 87 HZ PHE 87 156.922 9.297 0.085 644 H ALA 88 HN ALA 88 163.350 4.235 2.263 645 HA ALA 88 HA ALA 88 162.543 2.093 4.038 646 1HB ALA 88 HB1 ALA 88 162.326 0.413 2.548 647 2HB ALA 88 HB2 ALA 88 163.557 1.068 1.469 648 3HB ALA 88 HB3 ALA 88 161.920 1.721 1.438 649 H LYS 89 HN LYS 89 164.394 0.465 4.279 650 HA LYS 89 HA LYS 89 166.998 1.588 3.632 651 1HB LYS 89 HB2 LYS 89 166.774 2.535 5.778 652 2HB LYS 89 HB1 LYS 89 165.943 1.140 6.422 653 1HG LYS 89 HG2 LYS 89 167.930 -0.076 6.668 654 2HG LYS 89 HG1 LYS 89 168.832 1.004 5.606 655 1HD LYS 89 HD2 LYS 89 169.268 1.255 8.079 656 2HD LYS 89 HD1 LYS 89 168.861 2.727 7.216 657 1HE LYS 89 HE2 LYS 89 166.759 2.862 8.182 658 2HE LYS 89 HE1 LYS 89 166.712 1.141 8.553 659 1HZ LYS 89 HZ1 LYS 89 167.334 3.135 10.297 660 2HZ LYS 89 HZ2 LYS 89 168.846 2.491 9.898 661 3HZ LYS 89 HZ3 LYS 89 167.640 1.487 10.528 662 H PHE 90 HN PHE 90 168.534 -0.015 3.307 663 HA PHE 90 HA PHE 90 167.550 -2.765 3.700 664 1HB PHE 90 HB2 PHE 90 169.207 -1.735 1.395 665 2HB PHE 90 HB1 PHE 90 168.655 -3.393 1.611 666 HD1 PHE 90 HD1 PHE 90 167.224 0.056 1.532 667 HD2 PHE 90 HD2 PHE 90 166.796 -4.034 0.436 668 HE1 PHE 90 HE1 PHE 90 165.141 0.598 0.345 669 HE2 PHE 90 HE2 PHE 90 164.712 -3.499 -0.758 670 HZ PHE 90 HZ PHE 90 163.882 -1.180 -0.804 671 H LEU 91 HN LEU 91 168.937 -4.357 4.238 672 HA LEU 91 HA LEU 91 171.682 -3.592 4.979 673 1HB LEU 91 HB2 LEU 91 169.808 -5.433 6.477 674 2HB LEU 91 HB1 LEU 91 171.490 -5.158 6.887 675 HG LEU 91 HG LEU 91 169.327 -3.042 6.946 676 1HD1 LEU 91 HD11 LEU 91 170.412 -4.915 8.985 677 2HD1 LEU 91 HD12 LEU 91 168.779 -4.282 8.787 678 3HD1 LEU 91 HD13 LEU 91 170.043 -3.268 9.483 679 1HD2 LEU 91 HD21 LEU 91 172.197 -2.996 7.880 680 2HD2 LEU 91 HD22 LEU 91 171.016 -1.706 8.099 681 3HD2 LEU 91 HD23 LEU 91 171.550 -2.145 6.477 682 H ILE 92 HN ILE 92 173.123 -4.749 3.817 683 HA ILE 92 HA ILE 92 172.384 -7.501 3.077 684 HB ILE 92 HB ILE 92 174.069 -6.696 1.033 685 1HG1 ILE 92 HG12 ILE 92 173.627 -4.326 1.836 686 2HG1 ILE 92 HG11 ILE 92 173.294 -4.648 0.137 687 1HG2 ILE 92 HG21 ILE 92 171.172 -7.252 1.311 688 2HG2 ILE 92 HG22 ILE 92 172.410 -8.111 0.394 689 3HG2 ILE 92 HG23 ILE 92 171.750 -6.596 -0.221 690 1HD1 ILE 92 HD11 ILE 92 170.956 -5.137 1.703 691 2HD1 ILE 92 HD12 ILE 92 171.202 -3.999 0.380 692 3HD1 ILE 92 HD13 ILE 92 171.587 -3.525 2.035 693 H SER 93 HN SER 93 173.772 -8.940 3.764 694 HA SER 93 HA SER 93 176.133 -8.375 5.134 695 1HB SER 93 HB2 SER 93 175.977 -10.991 3.729 696 2HB SER 93 HB1 SER 93 176.332 -10.639 5.421 697 HG SER 93 HG SER 93 174.327 -11.564 5.370 698 H HIS 94 HN HIS 94 178.003 -7.591 4.413 699 HA HIS 94 HA HIS 94 178.646 -7.194 1.735 700 1HB HIS 94 HB2 HIS 94 180.229 -7.147 4.273 701 2HB HIS 94 HB1 HIS 94 181.084 -7.062 2.733 702 HD1 HIS 94 HD1 HIS 94 180.942 -4.891 1.433 703 HD2 HIS 94 HD2 HIS 94 178.606 -4.897 4.860 704 HE1 HIS 94 HE1 HIS 94 180.218 -2.503 1.752 705 HE2 HIS 94 HE2 HIS 94 178.888 -2.516 3.892 706 H ARG 95 HN ARG 95 179.470 -9.856 3.892 707 HA ARG 95 HA ARG 95 181.332 -11.161 2.256 708 1HB ARG 95 HB2 ARG 95 179.430 -12.168 4.365 709 2HB ARG 95 HB1 ARG 95 180.544 -13.239 3.528 710 1HG ARG 95 HG2 ARG 95 182.240 -11.294 4.316 711 2HG ARG 95 HG1 ARG 95 181.051 -11.237 5.618 712 1HD ARG 95 HD2 ARG 95 181.730 -13.962 4.963 713 2HD ARG 95 HD1 ARG 95 183.177 -13.029 5.337 714 HE ARG 95 HE ARG 95 181.097 -13.811 7.159 715 1HH1 ARG 95 HH11 ARG 95 183.651 -11.512 6.550 716 2HH1 ARG 95 HH12 ARG 95 183.860 -11.112 8.222 717 1HH2 ARG 95 HH21 ARG 95 181.369 -13.285 9.359 718 2HH2 ARG 95 HH22 ARG 95 182.565 -12.119 9.817 719 H GLU 96 HN GLU 96 180.787 -13.510 1.472 720 HA GLU 96 HA GLU 96 178.626 -13.192 -0.479 721 1HB GLU 96 HB2 GLU 96 179.818 -14.633 -1.907 722 2HB GLU 96 HB1 GLU 96 181.041 -13.607 -1.169 723 1HG GLU 96 HG2 GLU 96 182.120 -15.519 -0.787 724 2HG GLU 96 HG1 GLU 96 180.995 -15.704 0.556 725 H GLU 97 HN GLU 97 179.792 -15.272 2.078 726 HA GLU 97 HA GLU 97 177.867 -17.353 1.572 727 1HB GLU 97 HB2 GLU 97 180.022 -16.850 3.550 728 2HB GLU 97 HB1 GLU 97 178.707 -17.896 4.067 729 1HG GLU 97 HG2 GLU 97 179.101 -19.289 2.048 730 2HG GLU 97 HG1 GLU 97 180.512 -18.292 1.694 731 H ASP 98 HN ASP 98 176.090 -17.898 2.902 732 HA ASP 98 HA ASP 98 174.148 -17.415 3.985 733 1HB ASP 98 HB2 ASP 98 176.207 -17.107 5.770 734 2HB ASP 98 HB1 ASP 98 175.360 -15.570 5.925 735 H ARG 99 HN ARG 99 174.633 -15.776 1.766 736 HA ARG 99 HA ARG 99 174.457 -13.047 2.099 737 1HB ARG 99 HB2 ARG 99 174.713 -14.041 -0.092 738 2HB ARG 99 HB1 ARG 99 173.120 -14.789 0.021 739 1HG ARG 99 HG2 ARG 99 173.164 -12.800 -1.434 740 2HG ARG 99 HG1 ARG 99 172.048 -12.639 -0.077 741 1HD ARG 99 HD2 ARG 99 173.085 -10.793 0.593 742 2HD ARG 99 HD1 ARG 99 174.614 -11.667 0.714 743 HE ARG 99 HE ARG 99 175.261 -10.751 -1.285 744 1HH1 ARG 99 HH11 ARG 99 171.833 -10.249 -0.861 745 2HH1 ARG 99 HH12 ARG 99 171.695 -9.185 -2.220 746 1HH2 ARG 99 HH21 ARG 99 175.081 -9.352 -3.072 747 2HH2 ARG 99 HH22 ARG 99 173.539 -8.676 -3.476 748 H GLU 100 HN GLU 100 173.193 -12.144 3.601 749 HA GLU 100 HA GLU 100 170.314 -12.782 3.543 750 1HB GLU 100 HB2 GLU 100 172.109 -12.029 5.841 751 2HB GLU 100 HB1 GLU 100 170.360 -11.881 5.943 752 1HG GLU 100 HG2 GLU 100 171.859 -14.426 5.363 753 2HG GLU 100 HG1 GLU 100 171.191 -13.965 6.928 754 H PHE 101 HN PHE 101 168.871 -11.148 3.338 755 HA PHE 101 HA PHE 101 169.867 -8.395 3.446 756 1HB PHE 101 HB2 PHE 101 168.940 -7.800 1.358 757 2HB PHE 101 HB1 PHE 101 169.775 -9.322 1.066 758 HD1 PHE 101 HD1 PHE 101 168.349 -11.463 1.142 759 HD2 PHE 101 HD2 PHE 101 166.723 -7.550 0.756 760 HE1 PHE 101 HE1 PHE 101 166.274 -12.419 0.226 761 HE2 PHE 101 HE2 PHE 101 164.647 -8.498 -0.161 762 HZ PHE 101 HZ PHE 101 164.418 -10.933 -0.424 763 H HIS 102 HN HIS 102 168.467 -6.921 4.302 764 HA HIS 102 HA HIS 102 165.692 -7.725 4.752 765 1HB HIS 102 HB2 HIS 102 166.274 -6.433 7.115 766 2HB HIS 102 HB1 HIS 102 166.113 -8.171 6.914 767 HD1 HIS 102 HD1 HIS 102 168.132 -6.154 8.718 768 HD2 HIS 102 HD2 HIS 102 169.045 -8.947 5.785 769 HE1 HIS 102 HE1 HIS 102 170.518 -6.829 9.143 770 HE2 HIS 102 HE2 HIS 102 171.065 -8.471 7.317 771 H VAL 103 HN VAL 103 164.292 -5.895 5.361 772 HA VAL 103 HA VAL 103 165.386 -3.249 4.875 773 HB VAL 103 HB VAL 103 164.840 -4.161 2.621 774 1HG1 VAL 103 HG11 VAL 103 162.470 -4.320 1.976 775 2HG1 VAL 103 HG12 VAL 103 162.008 -4.063 3.661 776 3HG1 VAL 103 HG13 VAL 103 162.907 -5.512 3.201 777 1HG2 VAL 103 HG21 VAL 103 163.240 -2.145 2.081 778 2HG2 VAL 103 HG22 VAL 103 164.912 -1.873 2.573 779 3HG2 VAL 103 HG23 VAL 103 163.608 -1.697 3.746 780 H ILE 104 HN ILE 104 164.220 -1.581 5.702 781 HA ILE 104 HA ILE 104 161.754 -2.310 7.149 782 HB ILE 104 HB ILE 104 162.273 -0.173 8.486 783 1HG1 ILE 104 HG12 ILE 104 164.232 0.297 6.799 784 2HG1 ILE 104 HG11 ILE 104 164.403 0.715 8.497 785 1HG2 ILE 104 HG21 ILE 104 163.631 -1.453 10.078 786 2HG2 ILE 104 HG22 ILE 104 163.903 -2.677 8.836 787 3HG2 ILE 104 HG23 ILE 104 162.272 -2.376 9.436 788 1HD1 ILE 104 HD11 ILE 104 166.085 -0.713 8.794 789 2HD1 ILE 104 HD12 ILE 104 166.202 -0.686 7.034 790 3HD1 ILE 104 HD13 ILE 104 165.315 -1.980 7.837 791 H TRP 105 HN TRP 105 159.957 -1.065 6.954 792 HA TRP 105 HA TRP 105 160.089 1.125 4.978 793 1HB TRP 105 HB2 TRP 105 157.641 -0.553 5.514 794 2HB TRP 105 HB1 TRP 105 157.918 0.558 4.180 795 HD1 TRP 105 HD1 TRP 105 158.388 -3.026 5.191 796 HE1 TRP 105 HE1 TRP 105 159.491 -4.329 3.265 797 HE3 TRP 105 HE3 TRP 105 159.731 0.905 2.205 798 HZ2 TRP 105 HZ2 TRP 105 160.758 -3.765 0.808 799 HZ3 TRP 105 HZ3 TRP 105 160.869 0.441 0.090 800 HH2 TRP 105 HH2 TRP 105 161.382 -1.851 -0.597 801 H LYS 106 HN LYS 106 158.786 2.951 5.297 802 HA LYS 106 HA LYS 106 158.557 3.818 7.968 803 1HB LYS 106 HB2 LYS 106 158.818 5.203 5.810 804 2HB LYS 106 HB1 LYS 106 157.072 5.059 5.664 805 1HG LYS 106 HG2 LYS 106 156.739 6.674 7.146 806 2HG LYS 106 HG1 LYS 106 157.813 5.908 8.317 807 1HD LYS 106 HD2 LYS 106 159.167 7.657 7.993 808 2HD LYS 106 HD1 LYS 106 159.556 6.920 6.438 809 1HE LYS 106 HE2 LYS 106 157.417 8.184 5.633 810 2HE LYS 106 HE1 LYS 106 157.702 9.177 7.062 811 1HZ LYS 106 HZ1 LYS 106 158.988 10.324 5.639 812 2HZ LYS 106 HZ2 LYS 106 159.208 9.018 4.586 813 3HZ LYS 106 HZ3 LYS 106 160.137 9.134 5.994 814 H LYS 107 HN LYS 107 156.600 4.524 9.067 815 HA LYS 107 HA LYS 107 154.155 3.126 8.263 816 1HB LYS 107 HB2 LYS 107 153.803 2.312 10.559 817 2HB LYS 107 HB1 LYS 107 155.251 1.627 9.834 818 1HG LYS 107 HG2 LYS 107 156.641 2.673 11.281 819 2HG LYS 107 HG1 LYS 107 155.599 4.089 11.433 820 1HD LYS 107 HD2 LYS 107 154.472 3.226 13.182 821 2HD LYS 107 HD1 LYS 107 154.466 1.597 12.502 822 1HE LYS 107 HE2 LYS 107 157.077 1.840 13.080 823 2HE LYS 107 HE1 LYS 107 156.401 2.895 14.320 824 1HZ LYS 107 HZ1 LYS 107 156.692 0.417 14.840 825 2HZ LYS 107 HZ2 LYS 107 155.309 0.189 13.895 826 3HZ LYS 107 HZ3 LYS 107 155.236 1.158 15.278 Start of MODEL 8 1 H MET 1 HT1 MET 1 186.837 -10.933 10.331 2 HA MET 1 HA MET 1 189.030 -9.905 10.856 3 1HB MET 1 HB2 MET 1 188.066 -10.695 13.612 4 2HB MET 1 HB1 MET 1 189.740 -10.321 13.226 5 1HG MET 1 HG2 MET 1 189.276 -8.221 13.746 6 2HG MET 1 HG1 MET 1 188.340 -8.147 12.255 7 1HE MET 1 HE1 MET 1 186.527 -9.141 16.378 8 2HE MET 1 HE2 MET 1 188.156 -8.486 16.209 9 3HE MET 1 HE3 MET 1 187.778 -10.087 15.572 10 H THR 2 HN THR 2 190.847 -11.438 11.590 11 HA THR 2 HA THR 2 191.902 -13.435 11.408 12 HB THR 2 HB THR 2 189.246 -14.150 12.531 13 HG1 THR 2 HG1 THR 2 190.517 -14.051 14.169 14 1HG2 THR 2 HG21 THR 2 189.405 -16.021 11.044 15 2HG2 THR 2 HG22 THR 2 189.823 -16.548 12.674 16 3HG2 THR 2 HG23 THR 2 191.094 -16.284 11.481 17 H THR 3 HN THR 3 190.098 -12.208 9.174 18 HA THR 3 HA THR 3 190.599 -14.378 7.292 19 HB THR 3 HB THR 3 188.241 -14.632 7.973 20 HG1 THR 3 HG1 THR 3 188.638 -15.210 5.885 21 1HG2 THR 3 HG21 THR 3 186.573 -13.000 7.426 22 2HG2 THR 3 HG22 THR 3 187.797 -11.907 6.782 23 3HG2 THR 3 HG23 THR 3 187.762 -12.273 8.507 24 H GLU 4 HN GLU 4 189.460 -13.234 5.044 25 HA GLU 4 HA GLU 4 190.511 -10.521 4.847 26 1HB GLU 4 HB2 GLU 4 191.781 -11.128 2.774 27 2HB GLU 4 HB1 GLU 4 192.451 -11.792 4.257 28 1HG GLU 4 HG2 GLU 4 191.773 -13.952 3.746 29 2HG GLU 4 HG1 GLU 4 190.582 -13.403 2.568 30 H ILE 5 HN ILE 5 188.078 -10.408 4.764 31 HA ILE 5 HA ILE 5 186.886 -11.205 2.233 32 HB ILE 5 HB ILE 5 185.500 -9.515 4.294 33 1HG1 ILE 5 HG12 ILE 5 185.187 -12.463 4.487 34 2HG1 ILE 5 HG11 ILE 5 186.690 -11.798 5.120 35 1HG2 ILE 5 HG21 ILE 5 184.595 -10.147 1.957 36 2HG2 ILE 5 HG22 ILE 5 183.535 -10.296 3.358 37 3HG2 ILE 5 HG23 ILE 5 184.306 -11.729 2.679 38 1HD1 ILE 5 HD11 ILE 5 184.062 -10.633 5.922 39 2HD1 ILE 5 HD12 ILE 5 185.611 -10.592 6.766 40 3HD1 ILE 5 HD13 ILE 5 184.684 -12.091 6.696 41 H LYS 6 HN LYS 6 186.201 -9.832 0.636 42 HA LYS 6 HA LYS 6 187.424 -7.185 0.647 43 1HB LYS 6 HB2 LYS 6 186.990 -7.172 -1.745 44 2HB LYS 6 HB1 LYS 6 187.793 -8.667 -1.285 45 1HG LYS 6 HG2 LYS 6 185.065 -9.221 -1.108 46 2HG LYS 6 HG1 LYS 6 185.255 -8.270 -2.582 47 1HD LYS 6 HD2 LYS 6 187.304 -10.328 -2.238 48 2HD LYS 6 HD1 LYS 6 185.666 -10.973 -2.362 49 1HE LYS 6 HE2 LYS 6 186.282 -10.886 -4.576 50 2HE LYS 6 HE1 LYS 6 185.483 -9.327 -4.381 51 1HZ LYS 6 HZ1 LYS 6 187.515 -8.214 -4.328 52 2HZ LYS 6 HZ2 LYS 6 187.722 -9.363 -5.552 53 3HZ LYS 6 HZ3 LYS 6 188.403 -9.622 -4.025 54 H LYS 7 HN LYS 7 186.080 -5.475 -0.612 55 HA LYS 7 HA LYS 7 183.374 -5.448 0.554 56 1HB LYS 7 HB2 LYS 7 185.436 -3.313 0.185 57 2HB LYS 7 HB1 LYS 7 183.735 -2.865 0.160 58 1HG LYS 7 HG2 LYS 7 183.943 -4.476 2.392 59 2HG LYS 7 HG1 LYS 7 185.450 -3.549 2.398 60 1HD LYS 7 HD2 LYS 7 183.675 -1.596 1.818 61 2HD LYS 7 HD1 LYS 7 182.666 -2.658 2.802 62 1HE LYS 7 HE2 LYS 7 183.669 -1.099 4.283 63 2HE LYS 7 HE1 LYS 7 184.499 -2.636 4.521 64 1HZ LYS 7 HZ1 LYS 7 185.709 -0.264 4.065 65 2HZ LYS 7 HZ2 LYS 7 185.720 -0.961 2.524 66 3HZ LYS 7 HZ3 LYS 7 186.423 -1.779 3.826 67 H LEU 8 HN LEU 8 181.705 -5.370 -0.789 68 HA LEU 8 HA LEU 8 182.022 -5.528 -3.572 69 1HB LEU 8 HB2 LEU 8 179.884 -6.169 -3.557 70 2HB LEU 8 HB1 LEU 8 180.050 -6.146 -1.819 71 HG LEU 8 HG LEU 8 178.011 -5.104 -2.272 72 1HD1 LEU 8 HD11 LEU 8 178.360 -3.459 -0.851 73 2HD1 LEU 8 HD12 LEU 8 179.166 -2.500 -2.091 74 3HD1 LEU 8 HD13 LEU 8 180.095 -3.634 -1.111 75 1HD2 LEU 8 HD21 LEU 8 178.157 -2.981 -3.857 76 2HD2 LEU 8 HD22 LEU 8 177.815 -4.599 -4.462 77 3HD2 LEU 8 HD23 LEU 8 179.446 -3.944 -4.578 78 H ASP 9 HN ASP 9 181.692 -4.098 -5.223 79 HA ASP 9 HA ASP 9 182.614 -1.543 -5.020 80 1HB ASP 9 HB2 ASP 9 181.529 -3.133 -7.054 81 2HB ASP 9 HB1 ASP 9 180.590 -1.644 -7.087 82 HA PRO 10 HA PRO 10 179.387 1.055 -3.512 83 1HB PRO 10 HB2 PRO 10 179.809 3.199 -5.378 84 2HB PRO 10 HB1 PRO 10 180.436 3.044 -3.732 85 1HG PRO 10 HG2 PRO 10 181.985 2.970 -6.013 86 2HG PRO 10 HG1 PRO 10 182.456 2.278 -4.452 87 1HD PRO 10 HD2 PRO 10 181.347 0.919 -6.874 88 2HD PRO 10 HD1 PRO 10 182.596 0.363 -5.738 89 H ASP 11 HN ASP 11 179.419 1.650 -7.029 90 HA ASP 11 HA ASP 11 176.641 2.153 -7.191 91 1HB ASP 11 HB2 ASP 11 178.667 2.678 -8.841 92 2HB ASP 11 HB1 ASP 11 178.114 1.185 -9.594 93 H THR 12 HN THR 12 178.546 -0.754 -7.365 94 HA THR 12 HA THR 12 176.788 -2.452 -8.703 95 HB THR 12 HB THR 12 178.674 -3.109 -6.431 96 HG1 THR 12 HG1 THR 12 180.039 -3.717 -8.211 97 1HG2 THR 12 HG21 THR 12 177.817 -5.012 -8.574 98 2HG2 THR 12 HG22 THR 12 176.935 -4.874 -7.053 99 3HG2 THR 12 HG23 THR 12 178.633 -5.348 -7.048 100 H ALA 13 HN ALA 13 177.132 -2.041 -5.163 101 HA ALA 13 HA ALA 13 174.905 -3.611 -4.490 102 1HB ALA 13 HB1 ALA 13 176.718 -1.774 -3.109 103 2HB ALA 13 HB2 ALA 13 176.060 -3.326 -2.590 104 3HB ALA 13 HB3 ALA 13 175.101 -1.857 -2.409 105 H ILE 14 HN ILE 14 175.229 -0.062 -4.719 106 HA ILE 14 HA ILE 14 172.716 0.753 -4.057 107 HB ILE 14 HB ILE 14 174.482 1.808 -6.266 108 1HG1 ILE 14 HG12 ILE 14 173.982 2.707 -3.420 109 2HG1 ILE 14 HG11 ILE 14 175.446 1.945 -4.032 110 1HG2 ILE 14 HG21 ILE 14 172.240 2.512 -6.762 111 2HG2 ILE 14 HG22 ILE 14 173.136 3.885 -6.111 112 3HG2 ILE 14 HG23 ILE 14 171.985 3.020 -5.092 113 1HD1 ILE 14 HD11 ILE 14 174.843 4.683 -3.883 114 2HD1 ILE 14 HD12 ILE 14 174.874 4.260 -5.595 115 3HD1 ILE 14 HD13 ILE 14 176.273 3.918 -4.578 116 H ASP 15 HN ASP 15 173.734 -0.711 -7.086 117 HA ASP 15 HA ASP 15 171.282 -0.297 -8.469 118 1HB ASP 15 HB2 ASP 15 173.781 -1.819 -8.930 119 2HB ASP 15 HB1 ASP 15 172.347 -2.427 -9.752 120 H ILE 16 HN ILE 16 172.608 -2.931 -6.522 121 HA ILE 16 HA ILE 16 170.595 -4.828 -7.026 122 HB ILE 16 HB ILE 16 172.182 -4.518 -4.473 123 1HG1 ILE 16 HG12 ILE 16 173.750 -4.627 -6.272 124 2HG1 ILE 16 HG11 ILE 16 173.695 -6.228 -5.538 125 1HG2 ILE 16 HG21 ILE 16 170.808 -6.171 -3.841 126 2HG2 ILE 16 HG22 ILE 16 171.828 -7.176 -4.870 127 3HG2 ILE 16 HG23 ILE 16 170.312 -6.528 -5.495 128 1HD1 ILE 16 HD11 ILE 16 173.770 -6.262 -8.005 129 2HD1 ILE 16 HD12 ILE 16 172.209 -5.442 -8.034 130 3HD1 ILE 16 HD13 ILE 16 172.344 -7.056 -7.338 131 H ALA 17 HN ALA 17 171.006 -2.856 -4.071 132 HA ALA 17 HA ALA 17 168.605 -3.379 -2.862 133 1HB ALA 17 HB1 ALA 17 168.851 -0.893 -2.044 134 2HB ALA 17 HB2 ALA 17 170.424 -1.025 -2.831 135 3HB ALA 17 HB3 ALA 17 169.991 -2.137 -1.532 136 H TYR 18 HN TYR 18 169.262 -0.982 -5.384 137 HA TYR 18 HA TYR 18 166.855 0.374 -5.421 138 1HB TYR 18 HB2 TYR 18 168.881 0.874 -6.829 139 2HB TYR 18 HB1 TYR 18 168.400 -0.448 -7.888 140 HD1 TYR 18 HD1 TYR 18 168.075 3.020 -7.216 141 HD2 TYR 18 HD2 TYR 18 166.022 -0.298 -8.913 142 HE1 TYR 18 HE1 TYR 18 166.629 4.564 -8.471 143 HE2 TYR 18 HE2 TYR 18 164.572 1.236 -10.173 144 HH TYR 18 HH TYR 18 165.237 4.380 -10.702 145 H ASP 19 HN ASP 19 167.705 -2.530 -7.310 146 HA ASP 19 HA ASP 19 165.140 -2.949 -8.382 147 1HB ASP 19 HB2 ASP 19 167.669 -4.398 -8.258 148 2HB ASP 19 HB1 ASP 19 166.275 -5.481 -8.177 149 H ILE 20 HN ILE 20 166.508 -3.630 -5.275 150 HA ILE 20 HA ILE 20 164.550 -5.569 -4.477 151 HB ILE 20 HB ILE 20 166.429 -3.918 -2.778 152 1HG1 ILE 20 HG12 ILE 20 166.722 -6.812 -3.591 153 2HG1 ILE 20 HG11 ILE 20 167.459 -5.487 -4.497 154 1HG2 ILE 20 HG21 ILE 20 164.481 -4.794 -1.546 155 2HG2 ILE 20 HG22 ILE 20 166.001 -5.516 -1.017 156 3HG2 ILE 20 HG23 ILE 20 164.912 -6.423 -2.066 157 1HD1 ILE 20 HD11 ILE 20 168.068 -5.300 -1.682 158 2HD1 ILE 20 HD12 ILE 20 169.153 -5.369 -3.071 159 3HD1 ILE 20 HD13 ILE 20 168.550 -6.860 -2.349 160 H PHE 21 HN PHE 21 164.729 -2.110 -4.559 161 HA PHE 21 HA PHE 21 162.672 -1.689 -2.589 162 1HB PHE 21 HB2 PHE 21 164.449 -0.020 -3.000 163 2HB PHE 21 HB1 PHE 21 163.843 0.209 -4.636 164 HD1 PHE 21 HD1 PHE 21 162.808 2.232 -4.876 165 HD2 PHE 21 HD2 PHE 21 162.247 0.056 -1.262 166 HE1 PHE 21 HE1 PHE 21 161.293 3.989 -4.056 167 HE2 PHE 21 HE2 PHE 21 160.725 1.807 -0.440 168 HZ PHE 21 HZ PHE 21 160.246 3.776 -1.838 169 H LEU 22 HN LEU 22 162.906 -2.007 -6.061 170 HA LEU 22 HA LEU 22 160.208 -1.129 -6.547 171 1HB LEU 22 HB2 LEU 22 162.379 -2.308 -8.244 172 2HB LEU 22 HB1 LEU 22 160.742 -2.165 -8.864 173 HG LEU 22 HG LEU 22 162.323 -0.311 -9.498 174 1HD1 LEU 22 HD11 LEU 22 159.624 -0.135 -8.445 175 2HD1 LEU 22 HD12 LEU 22 160.311 0.531 -9.926 176 3HD1 LEU 22 HD13 LEU 22 160.481 1.406 -8.404 177 1HD2 LEU 22 HD21 LEU 22 163.526 -0.046 -7.430 178 2HD2 LEU 22 HD22 LEU 22 162.040 0.352 -6.570 179 3HD2 LEU 22 HD23 LEU 22 162.672 1.453 -7.794 180 H GLU 23 HN GLU 23 161.720 -4.093 -5.673 181 HA GLU 23 HA GLU 23 159.393 -5.636 -6.570 182 1HB GLU 23 HB2 GLU 23 160.725 -7.602 -6.318 183 2HB GLU 23 HB1 GLU 23 161.691 -6.412 -7.178 184 1HG GLU 23 HG2 GLU 23 162.640 -5.832 -4.854 185 2HG GLU 23 HG1 GLU 23 161.970 -7.389 -4.367 186 H MET 24 HN MET 24 161.290 -4.914 -3.658 187 HA MET 24 HA MET 24 159.604 -6.519 -1.973 188 1HB MET 24 HB2 MET 24 161.721 -4.476 -1.290 189 2HB MET 24 HB1 MET 24 160.896 -5.486 -0.114 190 1HG MET 24 HG2 MET 24 161.755 -7.434 -1.637 191 2HG MET 24 HG1 MET 24 162.937 -6.223 -2.149 192 1HE MET 24 HE1 MET 24 161.205 -7.818 0.879 193 2HE MET 24 HE2 MET 24 161.512 -6.254 1.634 194 3HE MET 24 HE3 MET 24 162.384 -7.686 2.183 195 H ALA 25 HN ALA 25 160.011 -3.030 -2.538 196 HA ALA 25 HA ALA 25 158.170 -2.159 -0.607 197 1HB ALA 25 HB1 ALA 25 158.301 -0.045 -1.601 198 2HB ALA 25 HB2 ALA 25 158.632 -0.717 -3.197 199 3HB ALA 25 HB3 ALA 25 159.865 -0.787 -1.938 200 H GLY 26 HN GLY 26 156.045 -1.192 -0.968 201 1HA GLY 26 HA2 GLY 26 153.996 -1.006 -2.125 202 2HA GLY 26 HA1 GLY 26 154.562 -2.210 -3.273 203 H GLU 27 HN GLU 27 154.536 -2.430 0.255 204 HA GLU 27 HA GLU 27 152.181 -3.886 0.573 205 1HB GLU 27 HB2 GLU 27 153.158 -6.193 0.857 206 2HB GLU 27 HB1 GLU 27 153.046 -5.616 -0.800 207 1HG GLU 27 HG2 GLU 27 155.408 -5.072 -0.797 208 2HG GLU 27 HG1 GLU 27 155.537 -5.572 0.889 209 H ASN 28 HN ASN 28 155.338 -3.011 1.697 210 HA ASN 28 HA ASN 28 154.588 -3.791 4.432 211 1HB ASN 28 HB2 ASN 28 157.152 -3.759 2.975 212 2HB ASN 28 HB1 ASN 28 157.224 -3.122 4.625 213 1HD2 ASN 28 HD21 ASN 28 156.423 -5.909 2.662 214 2HD2 ASN 28 HD22 ASN 28 156.553 -7.077 3.929 215 H LEU 29 HN LEU 29 155.987 -1.166 2.501 216 HA LEU 29 HA LEU 29 156.013 0.687 4.688 217 1HB LEU 29 HB2 LEU 29 157.406 0.633 2.456 218 2HB LEU 29 HB1 LEU 29 156.058 1.566 1.836 219 HG LEU 29 HG LEU 29 157.551 2.401 4.308 220 1HD1 LEU 29 HD11 LEU 29 158.316 2.673 1.459 221 2HD1 LEU 29 HD12 LEU 29 159.326 2.519 2.897 222 3HD1 LEU 29 HD13 LEU 29 158.562 4.062 2.518 223 1HD2 LEU 29 HD21 LEU 29 155.336 3.432 2.757 224 2HD2 LEU 29 HD22 LEU 29 156.643 4.606 2.913 225 3HD2 LEU 29 HD23 LEU 29 155.917 3.904 4.354 226 H ASP 30 HN ASP 30 154.718 2.551 4.926 227 HA ASP 30 HA ASP 30 152.009 2.218 4.820 228 1HB ASP 30 HB2 ASP 30 153.703 4.195 5.711 229 2HB ASP 30 HB1 ASP 30 152.787 5.019 4.452 230 HA PRO 31 HA PRO 31 150.458 2.723 0.736 231 1HB PRO 31 HB2 PRO 31 148.565 4.751 1.806 232 2HB PRO 31 HB1 PRO 31 148.235 3.255 0.916 233 1HG PRO 31 HG2 PRO 31 147.774 3.410 3.535 234 2HG PRO 31 HG1 PRO 31 148.432 1.931 2.810 235 1HD PRO 31 HD2 PRO 31 149.830 4.060 4.379 236 2HD PRO 31 HD1 PRO 31 150.067 2.297 4.402 237 H ALA 32 HN ALA 32 151.125 5.662 2.567 238 HA ALA 32 HA ALA 32 150.928 7.600 0.632 239 1HB ALA 32 HB1 ALA 32 151.514 7.896 3.069 240 2HB ALA 32 HB2 ALA 32 152.382 8.933 1.937 241 3HB ALA 32 HB3 ALA 32 153.178 7.518 2.626 242 H ASP 33 HN ASP 33 153.919 5.834 1.437 243 HA ASP 33 HA ASP 33 155.395 6.838 -0.744 244 1HB ASP 33 HB2 ASP 33 156.341 5.781 1.336 245 2HB ASP 33 HB1 ASP 33 155.888 4.217 0.669 246 H ILE 34 HN ILE 34 153.169 4.170 -0.469 247 HA ILE 34 HA ILE 34 153.983 2.662 -2.691 248 HB ILE 34 HB ILE 34 151.266 3.014 -1.429 249 1HG1 ILE 34 HG12 ILE 34 153.137 0.642 -1.416 250 2HG1 ILE 34 HG11 ILE 34 153.130 1.882 -0.160 251 1HG2 ILE 34 HG21 ILE 34 150.864 2.423 -3.719 252 2HG2 ILE 34 HG22 ILE 34 150.586 1.002 -2.712 253 3HG2 ILE 34 HG23 ILE 34 152.075 1.143 -3.647 254 1HD1 ILE 34 HD11 ILE 34 151.518 -0.434 -0.378 255 2HD1 ILE 34 HD12 ILE 34 150.469 0.978 -0.505 256 3HD1 ILE 34 HD13 ILE 34 151.528 0.789 0.892 257 H LEU 35 HN LEU 35 151.767 5.397 -2.407 258 HA LEU 35 HA LEU 35 151.168 5.431 -5.223 259 1HB LEU 35 HB2 LEU 35 149.432 6.158 -3.792 260 2HB LEU 35 HB1 LEU 35 150.500 7.234 -2.912 261 HG LEU 35 HG LEU 35 150.501 8.097 -5.613 262 1HD1 LEU 35 HD11 LEU 35 148.390 6.795 -5.804 263 2HD1 LEU 35 HD12 LEU 35 148.190 8.528 -6.065 264 3HD1 LEU 35 HD13 LEU 35 147.706 7.805 -4.531 265 1HD2 LEU 35 HD21 LEU 35 149.845 10.150 -4.692 266 2HD2 LEU 35 HD22 LEU 35 150.769 9.359 -3.415 267 3HD2 LEU 35 HD23 LEU 35 149.007 9.377 -3.347 268 H LEU 36 HN LEU 36 153.110 7.385 -2.990 269 HA LEU 36 HA LEU 36 153.941 9.326 -4.843 270 1HB LEU 36 HB2 LEU 36 154.188 9.072 -2.196 271 2HB LEU 36 HB1 LEU 36 155.789 8.532 -2.660 272 HG LEU 36 HG LEU 36 156.057 10.681 -3.932 273 1HD1 LEU 36 HD11 LEU 36 153.333 11.061 -2.848 274 2HD1 LEU 36 HD12 LEU 36 154.057 11.658 -4.341 275 3HD1 LEU 36 HD13 LEU 36 154.410 12.457 -2.809 276 1HD2 LEU 36 HD21 LEU 36 155.541 10.951 -0.973 277 2HD2 LEU 36 HD22 LEU 36 156.564 11.994 -1.962 278 3HD2 LEU 36 HD23 LEU 36 157.017 10.311 -1.696 279 H PHE 37 HN PHE 37 156.048 6.822 -3.454 280 HA PHE 37 HA PHE 37 158.120 6.997 -5.236 281 1HB PHE 37 HB2 PHE 37 158.631 5.649 -3.452 282 2HB PHE 37 HB1 PHE 37 157.077 4.834 -3.480 283 HD1 PHE 37 HD1 PHE 37 159.836 5.196 -5.967 284 HD2 PHE 37 HD2 PHE 37 157.345 2.582 -3.717 285 HE1 PHE 37 HE1 PHE 37 160.881 3.261 -7.068 286 HE2 PHE 37 HE2 PHE 37 158.385 0.641 -4.814 287 HZ PHE 37 HZ PHE 37 160.156 0.979 -6.489 288 H ASN 38 HN ASN 38 155.001 5.554 -5.782 289 HA ASN 38 HA ASN 38 155.792 4.003 -8.056 290 1HB ASN 38 HB2 ASN 38 153.231 4.699 -6.722 291 2HB ASN 38 HB1 ASN 38 153.145 4.240 -8.419 292 1HD2 ASN 38 HD21 ASN 38 152.097 2.328 -8.067 293 2HD2 ASN 38 HD22 ASN 38 152.848 0.964 -7.298 294 H LEU 39 HN LEU 39 153.981 7.043 -7.672 295 HA LEU 39 HA LEU 39 153.838 7.578 -10.456 296 1HB LEU 39 HB2 LEU 39 153.455 9.304 -8.020 297 2HB LEU 39 HB1 LEU 39 153.247 9.912 -9.649 298 HG LEU 39 HG LEU 39 151.214 8.969 -9.881 299 1HD1 LEU 39 HD11 LEU 39 150.571 6.760 -9.129 300 2HD1 LEU 39 HD12 LEU 39 152.064 6.617 -8.200 301 3HD1 LEU 39 HD13 LEU 39 152.124 6.688 -9.961 302 1HD2 LEU 39 HD21 LEU 39 151.673 9.006 -6.926 303 2HD2 LEU 39 HD22 LEU 39 150.118 8.512 -7.599 304 3HD2 LEU 39 HD23 LEU 39 150.748 10.128 -7.925 305 H GLN 40 HN GLN 40 155.480 9.586 -8.020 306 HA GLN 40 HA GLN 40 157.261 10.628 -10.002 307 1HB GLN 40 HB2 GLN 40 158.183 11.959 -8.142 308 2HB GLN 40 HB1 GLN 40 156.435 12.076 -8.250 309 1HG GLN 40 HG2 GLN 40 156.273 10.369 -6.444 310 2HG GLN 40 HG1 GLN 40 158.024 10.468 -6.266 311 1HE2 GLN 40 HE21 GLN 40 158.933 12.288 -5.315 312 2HE2 GLN 40 HE22 GLN 40 157.989 13.479 -4.495 313 H PHE 41 HN PHE 41 159.379 10.669 -7.654 314 HA PHE 41 HA PHE 41 161.099 9.347 -6.875 315 1HB PHE 41 HB2 PHE 41 159.465 7.361 -7.183 316 2HB PHE 41 HB1 PHE 41 160.307 7.099 -8.713 317 HD1 PHE 41 HD1 PHE 41 162.176 5.753 -8.745 318 HD2 PHE 41 HD2 PHE 41 160.994 7.562 -5.078 319 HE1 PHE 41 HE1 PHE 41 163.931 4.496 -7.564 320 HE2 PHE 41 HE2 PHE 41 162.748 6.309 -3.890 321 HZ PHE 41 HZ PHE 41 164.220 4.774 -5.133 322 H GLU 42 HN GLU 42 160.245 9.691 -10.206 323 HA GLU 42 HA GLU 42 162.593 8.999 -11.503 324 1HB GLU 42 HB2 GLU 42 160.401 9.708 -12.553 325 2HB GLU 42 HB1 GLU 42 160.882 11.371 -12.247 326 1HG GLU 42 HG2 GLU 42 162.366 11.395 -13.932 327 2HG GLU 42 HG1 GLU 42 162.868 9.727 -13.656 328 H GLU 43 HN GLU 43 161.676 12.349 -10.655 329 HA GLU 43 HA GLU 43 164.522 13.039 -10.613 330 1HB GLU 43 HB2 GLU 43 163.748 15.378 -10.708 331 2HB GLU 43 HB1 GLU 43 163.136 14.418 -12.049 332 1HG GLU 43 HG2 GLU 43 161.432 14.653 -9.637 333 2HG GLU 43 HG1 GLU 43 161.601 16.072 -10.669 334 H ARG 44 HN ARG 44 161.692 12.887 -8.556 335 HA ARG 44 HA ARG 44 163.004 14.284 -6.383 336 1HB ARG 44 HB2 ARG 44 160.295 13.363 -6.997 337 2HB ARG 44 HB1 ARG 44 160.745 13.116 -5.316 338 1HG ARG 44 HG2 ARG 44 160.116 15.221 -4.988 339 2HG ARG 44 HG1 ARG 44 161.604 15.681 -5.818 340 1HD ARG 44 HD2 ARG 44 160.126 15.342 -7.965 341 2HD ARG 44 HD1 ARG 44 158.801 15.610 -6.832 342 HE ARG 44 HE ARG 44 159.394 17.820 -6.706 343 1HH1 ARG 44 HH11 ARG 44 161.983 16.032 -8.215 344 2HH1 ARG 44 HH12 ARG 44 162.866 17.450 -8.668 345 1HH2 ARG 44 HH21 ARG 44 160.554 19.687 -7.301 346 2HH2 ARG 44 HH22 ARG 44 162.056 19.526 -8.149 347 H GLY 45 HN GLY 45 162.563 11.033 -7.465 348 1HA GLY 45 HA2 GLY 45 163.067 9.795 -4.921 349 2HA GLY 45 HA1 GLY 45 163.022 8.990 -6.484 350 H GLY 46 HN GLY 46 164.941 9.373 -3.980 351 1HA GLY 46 HA2 GLY 46 167.361 9.174 -5.629 352 2HA GLY 46 HA1 GLY 46 167.339 10.335 -4.309 353 H VAL 47 HN VAL 47 169.106 8.047 -4.641 354 HA VAL 47 HA VAL 47 168.507 6.719 -2.101 355 HB VAL 47 HB VAL 47 169.379 5.267 -4.608 356 1HG1 VAL 47 HG11 VAL 47 168.553 3.808 -2.168 357 2HG1 VAL 47 HG12 VAL 47 170.144 4.566 -2.148 358 3HG1 VAL 47 HG13 VAL 47 169.746 3.384 -3.394 359 1HG2 VAL 47 HG21 VAL 47 167.106 5.600 -4.901 360 2HG2 VAL 47 HG22 VAL 47 166.762 5.489 -3.174 361 3HG2 VAL 47 HG23 VAL 47 167.159 4.034 -4.090 362 H GLU 48 HN GLU 48 170.204 6.809 -0.775 363 HA GLU 48 HA GLU 48 172.844 7.390 -1.940 364 1HB GLU 48 HB2 GLU 48 173.425 8.413 0.191 365 2HB GLU 48 HB1 GLU 48 171.953 9.131 -0.448 366 1HG GLU 48 HG2 GLU 48 170.679 8.361 1.241 367 2HG GLU 48 HG1 GLU 48 171.585 6.855 1.384 368 H PHE 49 HN PHE 49 174.732 6.453 -0.899 369 HA PHE 49 HA PHE 49 174.145 3.807 0.250 370 1HB PHE 49 HB2 PHE 49 175.334 4.085 -2.052 371 2HB PHE 49 HB1 PHE 49 176.738 4.523 -1.087 372 HD1 PHE 49 HD1 PHE 49 176.998 2.325 -2.859 373 HD2 PHE 49 HD2 PHE 49 175.358 2.372 1.068 374 HE1 PHE 49 HE1 PHE 49 177.554 -0.056 -2.602 375 HE2 PHE 49 HE2 PHE 49 175.911 -0.011 1.330 376 HZ PHE 49 HZ PHE 49 177.011 -1.228 -0.507 377 H VAL 50 HN VAL 50 174.538 3.721 2.361 378 HA VAL 50 HA VAL 50 176.763 5.320 3.449 379 HB VAL 50 HB VAL 50 175.564 5.083 5.657 380 1HG1 VAL 50 HG11 VAL 50 173.746 6.761 4.993 381 2HG1 VAL 50 HG12 VAL 50 174.388 6.608 3.358 382 3HG1 VAL 50 HG13 VAL 50 175.423 7.191 4.660 383 1HG2 VAL 50 HG21 VAL 50 174.165 3.162 4.986 384 2HG2 VAL 50 HG22 VAL 50 173.257 4.228 3.915 385 3HG2 VAL 50 HG23 VAL 50 173.225 4.493 5.658 386 H GLU 51 HN GLU 51 177.308 4.230 5.788 387 HA GLU 51 HA GLU 51 177.995 1.436 5.158 388 1HB GLU 51 HB2 GLU 51 179.472 3.625 6.555 389 2HB GLU 51 HB1 GLU 51 179.766 1.964 7.053 390 1HG GLU 51 HG2 GLU 51 180.558 1.362 4.911 391 2HG GLU 51 HG1 GLU 51 179.976 2.865 4.196 392 H THR 52 HN THR 52 178.341 0.073 7.178 393 HA THR 52 HA THR 52 175.964 -0.182 8.579 394 HB THR 52 HB THR 52 178.643 -1.078 9.638 395 HG1 THR 52 HG1 THR 52 177.059 -2.141 7.555 396 1HG2 THR 52 HG21 THR 52 176.614 -1.442 11.059 397 2HG2 THR 52 HG22 THR 52 177.492 -2.902 10.609 398 3HG2 THR 52 HG23 THR 52 175.992 -2.485 9.779 399 H ALA 53 HN ALA 53 175.448 0.147 10.802 400 HA ALA 53 HA ALA 53 176.382 2.712 11.781 401 1HB ALA 53 HB1 ALA 53 174.380 2.865 12.778 402 2HB ALA 53 HB2 ALA 53 174.492 1.236 13.451 403 3HB ALA 53 HB3 ALA 53 173.943 1.470 11.789 404 H ASP 54 HN ASP 54 175.981 2.381 14.510 405 HA ASP 54 HA ASP 54 178.390 0.895 15.238 406 1HB ASP 54 HB2 ASP 54 177.613 3.396 15.942 407 2HB ASP 54 HB1 ASP 54 176.958 2.476 17.293 408 H ASP 55 HN ASP 55 176.088 -0.587 14.567 409 HA ASP 55 HA ASP 55 175.131 -2.522 15.320 410 1HB ASP 55 HB2 ASP 55 177.058 -2.201 17.200 411 2HB ASP 55 HB1 ASP 55 175.615 -2.062 18.200 412 H TRP 56 HN TRP 56 173.017 -2.294 15.047 413 HA TRP 56 HA TRP 56 171.495 -0.977 17.179 414 1HB TRP 56 HB2 TRP 56 169.920 -0.186 15.283 415 2HB TRP 56 HB1 TRP 56 171.402 0.718 15.593 416 HD1 TRP 56 HD1 TRP 56 173.560 -0.389 13.899 417 HE1 TRP 56 HE1 TRP 56 173.394 -0.639 11.342 418 HE3 TRP 56 HE3 TRP 56 168.479 -0.417 13.420 419 HZ2 TRP 56 HZ2 TRP 56 171.369 -0.817 9.383 420 HZ3 TRP 56 HZ3 TRP 56 167.500 -0.639 11.174 421 HH2 TRP 56 HH2 TRP 56 168.915 -0.842 9.198 422 H GLU 57 HN GLU 57 172.018 -3.786 16.571 423 HA GLU 57 HA GLU 57 169.832 -5.018 15.314 424 1HB GLU 57 HB2 GLU 57 170.520 -7.051 16.512 425 2HB GLU 57 HB1 GLU 57 171.895 -6.221 15.796 426 1HG GLU 57 HG2 GLU 57 172.893 -6.043 17.761 427 2HG GLU 57 HG1 GLU 57 171.467 -5.293 18.477 428 H GLU 58 HN GLU 58 168.089 -3.658 16.138 429 HA GLU 58 HA GLU 58 166.788 -4.904 18.399 430 1HB GLU 58 HB2 GLU 58 168.014 -2.239 18.541 431 2HB GLU 58 HB1 GLU 58 166.339 -2.291 19.073 432 1HG GLU 58 HG2 GLU 58 166.818 -3.830 20.782 433 2HG GLU 58 HG1 GLU 58 168.402 -4.207 20.106 434 H GLU 59 HN GLU 59 166.726 -2.541 15.788 435 HA GLU 59 HA GLU 59 163.810 -2.480 15.842 436 1HB GLU 59 HB2 GLU 59 163.954 -0.711 14.209 437 2HB GLU 59 HB1 GLU 59 165.063 -0.366 15.528 438 1HG GLU 59 HG2 GLU 59 166.910 -1.250 14.143 439 2HG GLU 59 HG1 GLU 59 165.772 -1.444 12.811 440 H ILE 60 HN ILE 60 166.425 -3.298 13.539 441 HA ILE 60 HA ILE 60 164.633 -4.339 11.591 442 HB ILE 60 HB ILE 60 166.795 -5.470 10.717 443 1HG1 ILE 60 HG12 ILE 60 167.979 -3.522 12.715 444 2HG1 ILE 60 HG11 ILE 60 168.082 -5.282 12.813 445 1HG2 ILE 60 HG21 ILE 60 166.588 -2.468 10.876 446 2HG2 ILE 60 HG22 ILE 60 165.745 -3.507 9.728 447 3HG2 ILE 60 HG23 ILE 60 167.502 -3.382 9.676 448 1HD1 ILE 60 HD11 ILE 60 169.060 -4.117 10.305 449 2HD1 ILE 60 HD12 ILE 60 169.752 -5.376 11.325 450 3HD1 ILE 60 HD13 ILE 60 169.973 -3.675 11.748 451 H GLY 61 HN GLY 61 166.470 -5.746 14.249 452 1HA GLY 61 HA2 GLY 61 165.790 -7.684 15.412 453 2HA GLY 61 HA1 GLY 61 164.827 -8.153 14.022 454 H VAL 62 HN VAL 62 168.270 -7.518 14.726 455 HA VAL 62 HA VAL 62 169.205 -10.091 14.415 456 HB VAL 62 HB VAL 62 170.355 -9.451 12.025 457 1HG1 VAL 62 HG11 VAL 62 167.803 -10.944 11.890 458 2HG1 VAL 62 HG12 VAL 62 169.033 -11.523 13.016 459 3HG1 VAL 62 HG13 VAL 62 169.408 -11.373 11.299 460 1HG2 VAL 62 HG21 VAL 62 168.470 -7.579 12.027 461 2HG2 VAL 62 HG22 VAL 62 167.507 -8.913 11.395 462 3HG2 VAL 62 HG23 VAL 62 168.971 -8.407 10.553 463 H LEU 63 HN LEU 63 171.381 -10.216 14.825 464 HA LEU 63 HA LEU 63 172.674 -8.022 15.934 465 1HB LEU 63 HB2 LEU 63 173.707 -10.641 14.877 466 2HB LEU 63 HB1 LEU 63 174.772 -9.457 15.611 467 HG LEU 63 HG LEU 63 172.411 -10.159 17.226 468 1HD1 LEU 63 HD11 LEU 63 173.405 -12.283 17.988 469 2HD1 LEU 63 HD12 LEU 63 174.578 -12.179 16.675 470 3HD1 LEU 63 HD13 LEU 63 172.860 -12.346 16.311 471 1HD2 LEU 63 HD21 LEU 63 174.514 -8.733 17.782 472 2HD2 LEU 63 HD22 LEU 63 175.273 -10.299 18.070 473 3HD2 LEU 63 HD23 LEU 63 173.850 -9.825 18.998 474 H ILE 64 HN ILE 64 174.012 -6.462 15.180 475 HA ILE 64 HA ILE 64 174.401 -6.367 12.269 476 HB ILE 64 HB ILE 64 174.783 -4.020 14.101 477 1HG1 ILE 64 HG12 ILE 64 172.557 -4.754 14.617 478 2HG1 ILE 64 HG11 ILE 64 172.419 -3.384 13.520 479 1HG2 ILE 64 HG21 ILE 64 175.444 -3.179 12.141 480 2HG2 ILE 64 HG22 ILE 64 173.731 -3.152 11.725 481 3HG2 ILE 64 HG23 ILE 64 174.739 -4.513 11.227 482 1HD1 ILE 64 HD11 ILE 64 171.881 -4.800 11.696 483 2HD1 ILE 64 HD12 ILE 64 170.870 -5.281 13.059 484 3HD1 ILE 64 HD13 ILE 64 172.280 -6.246 12.622 485 H ASP 65 HN ASP 65 176.359 -6.513 11.421 486 HA ASP 65 HA ASP 65 178.687 -6.186 13.196 487 1HB ASP 65 HB2 ASP 65 178.622 -7.957 10.755 488 2HB ASP 65 HB1 ASP 65 179.823 -7.929 12.042 489 HA PRO 66 HA PRO 66 179.358 -2.805 10.268 490 1HB PRO 66 HB2 PRO 66 181.678 -1.940 11.452 491 2HB PRO 66 HB1 PRO 66 180.057 -1.459 11.972 492 1HG PRO 66 HG2 PRO 66 181.869 -3.555 13.103 493 2HG PRO 66 HG1 PRO 66 180.839 -2.385 13.950 494 1HD PRO 66 HD2 PRO 66 180.114 -4.956 13.658 495 2HD PRO 66 HD1 PRO 66 178.922 -3.640 13.614 496 H GLU 67 HN GLU 67 180.891 -2.345 8.638 497 HA GLU 67 HA GLU 67 182.401 -2.864 7.021 498 1HB GLU 67 HB2 GLU 67 183.726 -4.209 9.372 499 2HB GLU 67 HB1 GLU 67 184.450 -4.171 7.770 500 1HG GLU 67 HG2 GLU 67 185.119 -2.058 7.996 501 2HG GLU 67 HG1 GLU 67 183.588 -1.551 8.708 502 H GLU 68 HN GLU 68 180.243 -4.937 8.138 503 HA GLU 68 HA GLU 68 181.124 -7.117 6.370 504 1HB GLU 68 HB2 GLU 68 179.530 -7.298 8.930 505 2HB GLU 68 HB1 GLU 68 179.785 -8.645 7.821 506 1HG GLU 68 HG2 GLU 68 182.113 -8.675 8.253 507 2HG GLU 68 HG1 GLU 68 182.036 -7.135 9.118 508 H TYR 69 HN TYR 69 178.925 -4.657 6.739 509 HA TYR 69 HA TYR 69 177.165 -5.851 4.754 510 1HB TYR 69 HB2 TYR 69 176.045 -4.627 7.285 511 2HB TYR 69 HB1 TYR 69 175.119 -5.302 5.941 512 HD1 TYR 69 HD1 TYR 69 175.322 -7.799 5.489 513 HD2 TYR 69 HD2 TYR 69 176.744 -5.978 9.060 514 HE1 TYR 69 HE1 TYR 69 175.316 -9.989 6.598 515 HE2 TYR 69 HE2 TYR 69 176.739 -8.163 10.184 516 HH TYR 69 HH TYR 69 176.729 -10.980 8.728 517 H ALA 70 HN ALA 70 176.446 -4.429 3.289 518 HA ALA 70 HA ALA 70 177.302 -1.653 3.563 519 1HB ALA 70 HB1 ALA 70 176.009 -2.053 1.083 520 2HB ALA 70 HB2 ALA 70 177.004 -3.478 1.383 521 3HB ALA 70 HB3 ALA 70 177.735 -1.873 1.393 522 H GLU 71 HN GLU 71 175.935 -0.097 4.183 523 HA GLU 71 HA GLU 71 173.072 -0.727 4.191 524 1HB GLU 71 HB2 GLU 71 173.846 -0.143 6.372 525 2HB GLU 71 HB1 GLU 71 174.719 1.254 5.768 526 1HG GLU 71 HG2 GLU 71 172.397 2.170 5.123 527 2HG GLU 71 HG1 GLU 71 171.768 0.924 6.203 528 H VAL 72 HN VAL 72 171.825 0.118 2.681 529 HA VAL 72 HA VAL 72 172.542 2.740 1.553 530 HB VAL 72 HB VAL 72 173.059 0.858 -0.023 531 1HG1 VAL 72 HG11 VAL 72 171.288 -0.320 -1.124 532 2HG1 VAL 72 HG12 VAL 72 170.075 0.544 -0.179 533 3HG1 VAL 72 HG13 VAL 72 171.173 -0.587 0.614 534 1HG2 VAL 72 HG21 VAL 72 172.835 2.916 -1.067 535 2HG2 VAL 72 HG22 VAL 72 171.115 3.029 -0.694 536 3HG2 VAL 72 HG23 VAL 72 171.677 1.911 -1.938 537 H TRP 73 HN TRP 73 170.985 4.197 1.759 538 HA TRP 73 HA TRP 73 168.349 3.336 2.628 539 1HB TRP 73 HB2 TRP 73 169.819 5.948 2.597 540 2HB TRP 73 HB1 TRP 73 168.065 5.937 2.763 541 HD1 TRP 73 HD1 TRP 73 169.237 2.934 4.444 542 HE1 TRP 73 HE1 TRP 73 169.427 3.290 6.984 543 HE3 TRP 73 HE3 TRP 73 168.966 8.037 4.574 544 HZ2 TRP 73 HZ2 TRP 73 169.454 5.440 8.799 545 HZ3 TRP 73 HZ3 TRP 73 169.082 9.167 6.757 546 HH2 TRP 73 HH2 TRP 73 169.322 7.894 8.826 547 H VAL 74 HN VAL 74 166.451 3.699 1.563 548 HA VAL 74 HA VAL 74 166.607 4.843 -1.142 549 HB VAL 74 HB VAL 74 165.087 2.352 -0.346 550 1HG1 VAL 74 HG11 VAL 74 163.697 2.981 -1.984 551 2HG1 VAL 74 HG12 VAL 74 164.997 2.496 -3.073 552 3HG1 VAL 74 HG13 VAL 74 164.822 4.189 -2.607 553 1HG2 VAL 74 HG21 VAL 74 166.710 1.097 -1.282 554 2HG2 VAL 74 HG22 VAL 74 167.720 2.496 -0.919 555 3HG2 VAL 74 HG23 VAL 74 167.052 2.287 -2.538 556 H GLY 75 HN GLY 75 165.643 6.750 -0.630 557 1HA GLY 75 HA2 GLY 75 162.804 6.571 0.136 558 2HA GLY 75 HA1 GLY 75 163.857 7.644 1.037 559 H LEU 76 HN LEU 76 162.955 9.542 0.562 560 HA LEU 76 HA LEU 76 163.259 10.509 -2.184 561 1HB LEU 76 HB2 LEU 76 160.801 9.731 -1.468 562 2HB LEU 76 HB1 LEU 76 160.775 11.331 -0.750 563 HG LEU 76 HG LEU 76 161.744 11.679 -3.363 564 1HD1 LEU 76 HD11 LEU 76 160.690 9.324 -3.617 565 2HD1 LEU 76 HD12 LEU 76 160.335 10.571 -4.814 566 3HD1 LEU 76 HD13 LEU 76 159.159 10.198 -3.551 567 1HD2 LEU 76 HD21 LEU 76 158.893 12.188 -2.817 568 2HD2 LEU 76 HD22 LEU 76 160.144 13.269 -3.432 569 3HD2 LEU 76 HD23 LEU 76 160.047 12.924 -1.705 570 H VAL 77 HN VAL 77 162.832 13.022 -2.176 571 HA VAL 77 HA VAL 77 163.397 14.281 0.367 572 HB VAL 77 HB VAL 77 165.359 14.732 -1.877 573 1HG1 VAL 77 HG11 VAL 77 165.202 15.523 1.012 574 2HG1 VAL 77 HG12 VAL 77 165.387 16.550 -0.410 575 3HG1 VAL 77 HG13 VAL 77 166.727 15.539 0.127 576 1HG2 VAL 77 HG21 VAL 77 165.656 12.868 0.477 577 2HG2 VAL 77 HG22 VAL 77 166.955 13.338 -0.618 578 3HG2 VAL 77 HG23 VAL 77 165.585 12.408 -1.224 579 H ASN 78 HN ASN 78 163.481 16.678 0.143 580 HA ASN 78 HA ASN 78 161.496 17.531 -1.802 581 1HB ASN 78 HB2 ASN 78 162.763 19.212 0.366 582 2HB ASN 78 HB1 ASN 78 161.227 19.482 -0.452 583 1HD2 ASN 78 HD21 ASN 78 162.923 17.501 1.874 584 2HD2 ASN 78 HD22 ASN 78 161.515 16.878 2.659 585 H GLU 79 HN GLU 79 162.448 20.342 -1.731 586 HA GLU 79 HA GLU 79 164.388 20.096 -3.890 587 1HB GLU 79 HB2 GLU 79 162.582 22.287 -2.924 588 2HB GLU 79 HB1 GLU 79 163.935 22.661 -3.983 589 1HG GLU 79 HG2 GLU 79 163.061 21.186 -5.683 590 2HG GLU 79 HG1 GLU 79 161.750 20.690 -4.614 591 H GLN 80 HN GLN 80 165.123 19.715 -1.028 592 HA GLN 80 HA GLN 80 167.027 21.926 -0.710 593 1HB GLN 80 HB2 GLN 80 167.203 21.098 1.661 594 2HB GLN 80 HB1 GLN 80 165.634 21.755 1.206 595 1HG GLN 80 HG2 GLN 80 164.879 19.396 0.801 596 2HG GLN 80 HG1 GLN 80 166.388 18.867 1.540 597 1HE2 GLN 80 HE21 GLN 80 166.543 20.892 3.518 598 2HE2 GLN 80 HE22 GLN 80 165.299 20.591 4.678 599 H ASP 81 HN ASP 81 166.919 18.896 -1.950 600 HA ASP 81 HA ASP 81 168.437 17.269 -2.407 601 1HB ASP 81 HB2 ASP 81 170.056 19.763 -2.188 602 2HB ASP 81 HB1 ASP 81 170.913 18.230 -2.313 603 H GLU 82 HN GLU 82 167.543 17.317 0.275 604 HA GLU 82 HA GLU 82 169.930 16.659 1.842 605 1HB GLU 82 HB2 GLU 82 167.042 16.967 2.696 606 2HB GLU 82 HB1 GLU 82 168.388 16.636 3.777 607 1HG GLU 82 HG2 GLU 82 168.512 19.035 2.026 608 2HG GLU 82 HG1 GLU 82 167.481 19.065 3.456 609 H MET 83 HN MET 83 168.571 14.843 3.639 610 HA MET 83 HA MET 83 167.512 12.660 2.129 611 1HB MET 83 HB2 MET 83 170.044 12.635 1.701 612 2HB MET 83 HB1 MET 83 170.199 12.144 3.382 613 1HG MET 83 HG2 MET 83 170.162 10.102 2.407 614 2HG MET 83 HG1 MET 83 168.430 10.329 2.644 615 1HE MET 83 HE1 MET 83 168.429 8.204 0.561 616 2HE MET 83 HE2 MET 83 167.449 9.030 -0.651 617 3HE MET 83 HE3 MET 83 167.122 9.276 1.065 618 H ASP 84 HN ASP 84 166.825 14.234 4.460 619 HA ASP 84 HA ASP 84 167.140 12.403 6.702 620 1HB ASP 84 HB2 ASP 84 165.852 14.185 7.945 621 2HB ASP 84 HB1 ASP 84 167.396 14.705 7.276 622 H ASP 85 HN ASP 85 165.149 12.493 4.115 623 HA ASP 85 HA ASP 85 162.872 11.416 5.639 624 1HB ASP 85 HB2 ASP 85 162.993 13.303 3.362 625 2HB ASP 85 HB1 ASP 85 161.751 12.048 3.250 626 H VAL 86 HN VAL 86 164.169 9.410 5.499 627 HA VAL 86 HA VAL 86 164.296 8.159 2.878 628 HB VAL 86 HB VAL 86 166.208 7.797 4.284 629 1HG1 VAL 86 HG11 VAL 86 165.404 8.179 6.455 630 2HG1 VAL 86 HG12 VAL 86 165.918 6.491 6.438 631 3HG1 VAL 86 HG13 VAL 86 164.204 6.892 6.326 632 1HG2 VAL 86 HG21 VAL 86 165.589 5.917 2.881 633 2HG2 VAL 86 HG22 VAL 86 164.531 5.294 4.147 634 3HG2 VAL 86 HG23 VAL 86 166.275 5.342 4.402 635 H PHE 87 HN PHE 87 163.210 6.270 2.312 636 HA PHE 87 HA PHE 87 160.657 5.891 3.658 637 1HB PHE 87 HB2 PHE 87 161.798 5.050 1.011 638 2HB PHE 87 HB1 PHE 87 160.368 4.250 1.646 639 HD1 PHE 87 HD1 PHE 87 161.078 6.311 -0.776 640 HD2 PHE 87 HD2 PHE 87 158.917 6.457 2.884 641 HE1 PHE 87 HE1 PHE 87 159.682 8.121 -1.680 642 HE2 PHE 87 HE2 PHE 87 157.514 8.263 1.992 643 HZ PHE 87 HZ PHE 87 157.899 9.107 -0.302 644 H ALA 88 HN ALA 88 163.550 4.087 2.793 645 HA ALA 88 HA ALA 88 163.153 2.274 5.002 646 1HB ALA 88 HB1 ALA 88 163.090 1.257 2.160 647 2HB ALA 88 HB2 ALA 88 161.792 1.158 3.352 648 3HB ALA 88 HB3 ALA 88 163.279 0.238 3.588 649 H LYS 89 HN LYS 89 165.043 0.783 5.254 650 HA LYS 89 HA LYS 89 167.455 1.909 3.999 651 1HB LYS 89 HB2 LYS 89 167.568 0.523 6.649 652 2HB LYS 89 HB1 LYS 89 168.621 1.767 6.004 653 1HG LYS 89 HG2 LYS 89 167.071 3.478 6.504 654 2HG LYS 89 HG1 LYS 89 165.778 2.315 6.808 655 1HD LYS 89 HD2 LYS 89 167.244 1.432 8.698 656 2HD LYS 89 HD1 LYS 89 168.201 2.900 8.489 657 1HE LYS 89 HE2 LYS 89 165.975 4.150 8.720 658 2HE LYS 89 HE1 LYS 89 165.337 2.629 9.344 659 1HZ LYS 89 HZ1 LYS 89 166.828 2.688 11.150 660 2HZ LYS 89 HZ2 LYS 89 166.176 4.245 11.048 661 3HZ LYS 89 HZ3 LYS 89 167.739 3.945 10.476 662 H PHE 90 HN PHE 90 168.991 0.404 3.268 663 HA PHE 90 HA PHE 90 168.104 -2.403 3.394 664 1HB PHE 90 HB2 PHE 90 169.305 -0.929 1.048 665 2HB PHE 90 HB1 PHE 90 169.002 -2.664 1.088 666 HD1 PHE 90 HD1 PHE 90 167.083 -3.381 0.057 667 HD2 PHE 90 HD2 PHE 90 167.148 0.497 1.808 668 HE1 PHE 90 HE1 PHE 90 164.775 -2.999 -0.707 669 HE2 PHE 90 HE2 PHE 90 164.843 0.885 1.050 670 HZ PHE 90 HZ PHE 90 163.652 -0.864 -0.208 671 H LEU 91 HN LEU 91 169.561 -3.938 3.824 672 HA LEU 91 HA LEU 91 172.378 -3.125 4.081 673 1HB LEU 91 HB2 LEU 91 171.025 -5.218 5.772 674 2HB LEU 91 HB1 LEU 91 172.615 -4.519 6.001 675 HG LEU 91 HG LEU 91 170.025 -3.002 6.315 676 1HD1 LEU 91 HD11 LEU 91 171.816 -3.744 8.581 677 2HD1 LEU 91 HD12 LEU 91 170.668 -4.929 7.961 678 3HD1 LEU 91 HD13 LEU 91 170.087 -3.387 8.577 679 1HD2 LEU 91 HD21 LEU 91 172.591 -2.099 7.488 680 2HD2 LEU 91 HD22 LEU 91 171.245 -1.160 6.841 681 3HD2 LEU 91 HD23 LEU 91 172.396 -1.922 5.744 682 H ILE 92 HN ILE 92 173.724 -4.251 2.830 683 HA ILE 92 HA ILE 92 172.843 -6.892 1.868 684 HB ILE 92 HB ILE 92 174.806 -5.937 0.093 685 1HG1 ILE 92 HG12 ILE 92 174.249 -3.666 1.012 686 2HG1 ILE 92 HG11 ILE 92 173.991 -3.845 -0.721 687 1HG2 ILE 92 HG21 ILE 92 171.878 -6.484 -0.059 688 2HG2 ILE 92 HG22 ILE 92 173.226 -7.383 -0.761 689 3HG2 ILE 92 HG23 ILE 92 172.735 -5.837 -1.458 690 1HD1 ILE 92 HD11 ILE 92 171.919 -3.146 -0.463 691 2HD1 ILE 92 HD12 ILE 92 172.157 -3.034 1.281 692 3HD1 ILE 92 HD13 ILE 92 171.585 -4.540 0.562 693 H SER 93 HN SER 93 174.078 -8.534 2.478 694 HA SER 93 HA SER 93 176.465 -8.174 3.956 695 1HB SER 93 HB2 SER 93 174.722 -10.200 3.807 696 2HB SER 93 HB1 SER 93 175.922 -10.804 2.664 697 HG SER 93 HG SER 93 176.777 -11.503 4.482 698 H HIS 94 HN HIS 94 178.501 -7.959 3.286 699 HA HIS 94 HA HIS 94 179.061 -7.810 0.483 700 1HB HIS 94 HB2 HIS 94 180.884 -7.584 2.884 701 2HB HIS 94 HB1 HIS 94 181.366 -7.252 1.218 702 HD1 HIS 94 HD1 HIS 94 180.120 -5.202 0.051 703 HD2 HIS 94 HD2 HIS 94 179.635 -5.485 4.164 704 HE1 HIS 94 HE1 HIS 94 179.311 -2.943 0.788 705 HE2 HIS 94 HE2 HIS 94 178.955 -3.158 3.271 706 H ARG 95 HN ARG 95 178.857 -10.422 2.516 707 HA ARG 95 HA ARG 95 181.091 -11.905 1.411 708 1HB ARG 95 HB2 ARG 95 179.125 -12.295 3.578 709 2HB ARG 95 HB1 ARG 95 179.613 -13.763 2.742 710 1HG ARG 95 HG2 ARG 95 181.947 -12.241 3.294 711 2HG ARG 95 HG1 ARG 95 180.985 -12.342 4.769 712 1HD ARG 95 HD2 ARG 95 180.830 -14.896 3.846 713 2HD ARG 95 HD1 ARG 95 182.445 -14.432 3.312 714 HE ARG 95 HE ARG 95 181.928 -13.770 6.054 715 1HH1 ARG 95 HH11 ARG 95 182.947 -16.308 3.886 716 2HH1 ARG 95 HH12 ARG 95 183.828 -17.167 5.105 717 1HH2 ARG 95 HH21 ARG 95 183.087 -14.898 7.658 718 2HH2 ARG 95 HH22 ARG 95 183.907 -16.366 7.246 719 H GLU 96 HN GLU 96 180.967 -12.831 -0.513 720 HA GLU 96 HA GLU 96 178.729 -12.990 -2.124 721 1HB GLU 96 HB2 GLU 96 181.399 -13.580 -2.404 722 2HB GLU 96 HB1 GLU 96 180.645 -15.158 -2.586 723 1HG GLU 96 HG2 GLU 96 179.090 -13.466 -4.139 724 2HG GLU 96 HG1 GLU 96 180.746 -12.931 -4.421 725 H GLU 97 HN GLU 97 180.015 -15.405 0.113 726 HA GLU 97 HA GLU 97 178.171 -17.444 -0.618 727 1HB GLU 97 HB2 GLU 97 179.851 -18.504 0.446 728 2HB GLU 97 HB1 GLU 97 180.314 -17.066 1.341 729 1HG GLU 97 HG2 GLU 97 178.837 -17.529 3.083 730 2HG GLU 97 HG1 GLU 97 177.908 -18.672 2.113 731 H ASP 98 HN ASP 98 176.344 -18.187 0.520 732 HA ASP 98 HA ASP 98 174.424 -18.032 1.730 733 1HB ASP 98 HB2 ASP 98 176.398 -16.723 3.386 734 2HB ASP 98 HB1 ASP 98 174.828 -15.947 3.573 735 H ARG 99 HN ARG 99 175.672 -14.690 1.699 736 HA ARG 99 HA ARG 99 174.806 -12.751 0.921 737 1HB ARG 99 HB2 ARG 99 174.877 -13.669 -1.266 738 2HB ARG 99 HB1 ARG 99 173.482 -14.700 -0.961 739 1HG ARG 99 HG2 ARG 99 172.666 -13.015 -2.342 740 2HG ARG 99 HG1 ARG 99 172.153 -12.525 -0.729 741 1HD ARG 99 HD2 ARG 99 174.663 -11.364 -1.044 742 2HD ARG 99 HD1 ARG 99 173.886 -11.171 -2.616 743 HE ARG 99 HE ARG 99 172.339 -9.749 -1.663 744 1HH1 ARG 99 HH11 ARG 99 174.371 -11.146 0.796 745 2HH1 ARG 99 HH12 ARG 99 173.732 -10.166 2.064 746 1HH2 ARG 99 HH21 ARG 99 171.524 -8.424 -0.002 747 2HH2 ARG 99 HH22 ARG 99 172.127 -8.609 1.610 748 H GLU 100 HN GLU 100 173.744 -12.131 2.788 749 HA GLU 100 HA GLU 100 170.863 -12.748 2.915 750 1HB GLU 100 HB2 GLU 100 172.831 -12.097 5.109 751 2HB GLU 100 HB1 GLU 100 171.090 -12.102 5.354 752 1HG GLU 100 HG2 GLU 100 172.693 -14.466 4.408 753 2HG GLU 100 HG1 GLU 100 172.199 -14.184 6.077 754 H PHE 101 HN PHE 101 169.396 -11.073 3.274 755 HA PHE 101 HA PHE 101 170.468 -8.342 3.285 756 1HB PHE 101 HB2 PHE 101 169.042 -7.636 1.488 757 2HB PHE 101 HB1 PHE 101 169.936 -9.046 0.937 758 HD1 PHE 101 HD1 PHE 101 166.654 -7.773 1.937 759 HD2 PHE 101 HD2 PHE 101 168.830 -11.124 0.472 760 HE1 PHE 101 HE1 PHE 101 164.540 -8.875 1.329 761 HE2 PHE 101 HE2 PHE 101 166.720 -12.231 -0.140 762 HZ PHE 101 HZ PHE 101 164.571 -11.106 0.288 763 H HIS 102 HN HIS 102 169.214 -6.806 4.290 764 HA HIS 102 HA HIS 102 166.592 -7.604 5.283 765 1HB HIS 102 HB2 HIS 102 167.541 -6.214 7.458 766 2HB HIS 102 HB1 HIS 102 167.354 -7.953 7.360 767 HD1 HIS 102 HD1 HIS 102 169.377 -6.717 9.255 768 HD2 HIS 102 HD2 HIS 102 170.339 -7.950 5.409 769 HE1 HIS 102 HE1 HIS 102 171.849 -7.165 9.285 770 HE2 HIS 102 HE2 HIS 102 172.390 -7.980 6.967 771 H VAL 103 HN VAL 103 165.202 -5.859 5.797 772 HA VAL 103 HA VAL 103 166.142 -3.166 5.200 773 HB VAL 103 HB VAL 103 165.517 -4.142 3.008 774 1HG1 VAL 103 HG11 VAL 103 163.730 -5.625 3.778 775 2HG1 VAL 103 HG12 VAL 103 163.165 -4.549 2.499 776 3HG1 VAL 103 HG13 VAL 103 162.738 -4.222 4.180 777 1HG2 VAL 103 HG21 VAL 103 165.328 -1.917 2.737 778 2HG2 VAL 103 HG22 VAL 103 164.348 -1.719 4.188 779 3HG2 VAL 103 HG23 VAL 103 163.599 -2.258 2.687 780 H ILE 104 HN ILE 104 164.949 -1.545 6.079 781 HA ILE 104 HA ILE 104 162.632 -2.365 7.711 782 HB ILE 104 HB ILE 104 163.179 -0.019 8.818 783 1HG1 ILE 104 HG12 ILE 104 165.141 0.221 7.157 784 2HG1 ILE 104 HG11 ILE 104 165.434 0.609 8.848 785 1HG2 ILE 104 HG21 ILE 104 164.933 -1.573 10.215 786 2HG2 ILE 104 HG22 ILE 104 163.953 -2.773 9.371 787 3HG2 ILE 104 HG23 ILE 104 163.180 -1.574 10.407 788 1HD1 ILE 104 HD11 ILE 104 166.920 -1.082 7.251 789 2HD1 ILE 104 HD12 ILE 104 165.987 -2.168 8.278 790 3HD1 ILE 104 HD13 ILE 104 167.014 -0.932 9.004 791 H TRP 105 HN TRP 105 160.732 -1.309 7.526 792 HA TRP 105 HA TRP 105 160.586 0.803 5.472 793 1HB TRP 105 HB2 TRP 105 158.352 -1.053 6.297 794 2HB TRP 105 HB1 TRP 105 158.367 0.053 4.926 795 HD1 TRP 105 HD1 TRP 105 159.365 -3.427 5.956 796 HE1 TRP 105 HE1 TRP 105 160.363 -4.676 3.941 797 HE3 TRP 105 HE3 TRP 105 159.838 0.501 2.700 798 HZ2 TRP 105 HZ2 TRP 105 161.234 -4.084 1.327 799 HZ3 TRP 105 HZ3 TRP 105 160.761 0.067 0.468 800 HH2 TRP 105 HH2 TRP 105 161.447 -2.177 -0.205 801 H LYS 106 HN LYS 106 159.282 2.601 5.833 802 HA LYS 106 HA LYS 106 159.062 3.412 8.562 803 1HB LYS 106 HB2 LYS 106 159.309 4.735 6.180 804 2HB LYS 106 HB1 LYS 106 157.615 5.013 6.562 805 1HG LYS 106 HG2 LYS 106 158.701 5.594 8.940 806 2HG LYS 106 HG1 LYS 106 160.051 6.019 7.886 807 1HD LYS 106 HD2 LYS 106 157.530 7.005 6.851 808 2HD LYS 106 HD1 LYS 106 157.841 7.597 8.484 809 1HE LYS 106 HE2 LYS 106 160.026 7.688 6.454 810 2HE LYS 106 HE1 LYS 106 158.744 8.896 6.395 811 1HZ LYS 106 HZ1 LYS 106 159.371 8.973 8.976 812 2HZ LYS 106 HZ2 LYS 106 160.102 9.963 7.815 813 3HZ LYS 106 HZ3 LYS 106 160.878 8.552 8.333 814 H LYS 107 HN LYS 107 157.156 4.009 9.690 815 HA LYS 107 HA LYS 107 154.607 3.087 8.621 816 1HB LYS 107 HB2 LYS 107 154.161 1.864 10.801 817 2HB LYS 107 HB1 LYS 107 155.283 1.088 9.691 818 1HG LYS 107 HG2 LYS 107 157.046 2.448 11.145 819 2HG LYS 107 HG1 LYS 107 155.766 2.293 12.350 820 1HD LYS 107 HD2 LYS 107 156.181 0.116 12.655 821 2HD LYS 107 HD1 LYS 107 156.270 -0.193 10.920 822 1HE LYS 107 HE2 LYS 107 158.578 1.153 11.293 823 2HE LYS 107 HE1 LYS 107 158.414 0.371 12.864 824 1HZ LYS 107 HZ1 LYS 107 159.532 -0.788 10.746 825 2HZ LYS 107 HZ2 LYS 107 157.941 -1.328 10.561 826 3HZ LYS 107 HZ3 LYS 107 158.782 -1.652 11.992 Start of MODEL 9 1 H MET 1 HT1 MET 1 187.950 -14.443 3.825 2 HA MET 1 HA MET 1 186.416 -15.188 6.196 3 1HB MET 1 HB2 MET 1 187.485 -16.714 3.811 4 2HB MET 1 HB1 MET 1 186.416 -17.354 5.052 5 1HG MET 1 HG2 MET 1 185.545 -14.960 3.523 6 2HG MET 1 HG1 MET 1 185.500 -16.535 2.733 7 1HE MET 1 HE1 MET 1 183.651 -18.681 5.100 8 2HE MET 1 HE2 MET 1 184.648 -18.493 3.658 9 3HE MET 1 HE3 MET 1 182.896 -18.315 3.549 10 H THR 2 HN THR 2 189.445 -16.021 4.504 11 HA THR 2 HA THR 2 190.494 -17.544 6.636 12 HB THR 2 HB THR 2 191.511 -16.446 4.067 13 HG1 THR 2 HG1 THR 2 190.775 -18.491 3.995 14 1HG2 THR 2 HG21 THR 2 193.439 -17.507 6.126 15 2HG2 THR 2 HG22 THR 2 193.364 -15.840 5.555 16 3HG2 THR 2 HG23 THR 2 193.794 -17.135 4.439 17 H THR 3 HN THR 3 191.049 -14.190 5.607 18 HA THR 3 HA THR 3 191.763 -13.482 8.328 19 HB THR 3 HB THR 3 193.920 -14.128 7.377 20 HG1 THR 3 HG1 THR 3 193.679 -12.200 8.746 21 1HG2 THR 3 HG21 THR 3 193.868 -11.880 5.441 22 2HG2 THR 3 HG22 THR 3 193.141 -13.418 4.977 23 3HG2 THR 3 HG23 THR 3 194.840 -13.351 5.445 24 H GLU 4 HN GLU 4 191.422 -12.404 4.969 25 HA GLU 4 HA GLU 4 190.409 -9.825 5.965 26 1HB GLU 4 HB2 GLU 4 190.947 -8.919 3.749 27 2HB GLU 4 HB1 GLU 4 192.367 -9.610 4.521 28 1HG GLU 4 HG2 GLU 4 191.380 -11.725 3.089 29 2HG GLU 4 HG1 GLU 4 191.033 -10.350 2.042 30 H ILE 5 HN ILE 5 188.714 -8.823 4.519 31 HA ILE 5 HA ILE 5 186.884 -10.887 3.476 32 HB ILE 5 HB ILE 5 185.843 -8.378 4.752 33 1HG1 ILE 5 HG12 ILE 5 185.806 -10.832 6.410 34 2HG1 ILE 5 HG11 ILE 5 187.375 -10.047 6.256 35 1HG2 ILE 5 HG21 ILE 5 184.756 -11.007 3.893 36 2HG2 ILE 5 HG22 ILE 5 184.111 -9.383 3.658 37 3HG2 ILE 5 HG23 ILE 5 183.975 -10.166 5.232 38 1HD1 ILE 5 HD11 ILE 5 184.912 -8.541 7.052 39 2HD1 ILE 5 HD12 ILE 5 186.602 -8.072 7.242 40 3HD1 ILE 5 HD13 ILE 5 185.933 -9.378 8.221 41 H LYS 6 HN LYS 6 185.481 -10.235 1.785 42 HA LYS 6 HA LYS 6 186.639 -8.161 0.102 43 1HB LYS 6 HB2 LYS 6 185.060 -10.589 -0.315 44 2HB LYS 6 HB1 LYS 6 184.514 -9.237 -1.297 45 1HG LYS 6 HG2 LYS 6 186.792 -8.965 -2.167 46 2HG LYS 6 HG1 LYS 6 187.308 -10.354 -1.209 47 1HD LYS 6 HD2 LYS 6 185.815 -11.805 -2.434 48 2HD LYS 6 HD1 LYS 6 185.153 -10.429 -3.319 49 1HE LYS 6 HE2 LYS 6 186.893 -10.347 -4.742 50 2HE LYS 6 HE1 LYS 6 188.071 -10.705 -3.479 51 1HZ LYS 6 HZ1 LYS 6 186.268 -12.780 -4.576 52 2HZ LYS 6 HZ2 LYS 6 187.692 -12.992 -3.688 53 3HZ LYS 6 HZ3 LYS 6 187.767 -12.431 -5.281 54 H LYS 7 HN LYS 7 185.780 -6.197 -0.165 55 HA LYS 7 HA LYS 7 183.234 -5.624 1.135 56 1HB LYS 7 HB2 LYS 7 183.855 -3.298 1.006 57 2HB LYS 7 HB1 LYS 7 185.199 -4.224 1.660 58 1HG LYS 7 HG2 LYS 7 186.550 -3.589 0.026 59 2HG LYS 7 HG1 LYS 7 185.363 -3.999 -1.219 60 1HD LYS 7 HD2 LYS 7 184.280 -1.742 -0.143 61 2HD LYS 7 HD1 LYS 7 186.006 -1.409 0.005 62 1HE LYS 7 HE2 LYS 7 185.959 -2.340 -2.503 63 2HE LYS 7 HE1 LYS 7 184.320 -1.695 -2.411 64 1HZ LYS 7 HZ1 LYS 7 186.883 -0.283 -2.308 65 2HZ LYS 7 HZ2 LYS 7 185.591 0.359 -1.427 66 3HZ LYS 7 HZ3 LYS 7 185.448 0.141 -3.098 67 H LEU 8 HN LEU 8 182.147 -3.589 -0.109 68 HA LEU 8 HA LEU 8 181.722 -4.472 -2.887 69 1HB LEU 8 HB2 LEU 8 179.861 -4.177 -0.696 70 2HB LEU 8 HB1 LEU 8 179.408 -3.133 -2.029 71 HG LEU 8 HG LEU 8 180.008 -6.032 -2.499 72 1HD1 LEU 8 HD11 LEU 8 177.325 -4.894 -1.729 73 2HD1 LEU 8 HD12 LEU 8 178.336 -5.905 -0.696 74 3HD1 LEU 8 HD13 LEU 8 177.670 -6.561 -2.191 75 1HD2 LEU 8 HD21 LEU 8 179.826 -4.954 -4.531 76 2HD2 LEU 8 HD22 LEU 8 178.609 -3.821 -3.941 77 3HD2 LEU 8 HD23 LEU 8 178.170 -5.499 -4.262 78 H ASP 9 HN ASP 9 180.960 -2.783 -4.362 79 HA ASP 9 HA ASP 9 182.348 -0.284 -3.845 80 1HB ASP 9 HB2 ASP 9 181.207 -1.620 -6.266 81 2HB ASP 9 HB1 ASP 9 181.472 0.121 -6.300 82 HA PRO 10 HA PRO 10 178.925 2.202 -2.613 83 1HB PRO 10 HB2 PRO 10 179.876 4.122 -4.691 84 2HB PRO 10 HB1 PRO 10 179.517 4.399 -2.979 85 1HG PRO 10 HG2 PRO 10 182.035 4.238 -3.827 86 2HG PRO 10 HG1 PRO 10 181.549 3.528 -2.277 87 1HD PRO 10 HD2 PRO 10 182.145 2.188 -4.873 88 2HD PRO 10 HD1 PRO 10 182.449 1.629 -3.216 89 H ASP 11 HN ASP 11 179.514 2.527 -6.123 90 HA ASP 11 HA ASP 11 176.786 2.932 -6.761 91 1HB ASP 11 HB2 ASP 11 177.501 2.590 -9.100 92 2HB ASP 11 HB1 ASP 11 178.561 3.704 -8.242 93 H THR 12 HN THR 12 178.804 0.075 -6.532 94 HA THR 12 HA THR 12 177.029 -1.704 -7.842 95 HB THR 12 HB THR 12 179.162 -2.283 -5.777 96 HG1 THR 12 HG1 THR 12 180.395 -2.783 -7.661 97 1HG2 THR 12 HG21 THR 12 178.192 -4.204 -7.855 98 2HG2 THR 12 HG22 THR 12 177.452 -4.122 -6.256 99 3HG2 THR 12 HG23 THR 12 179.163 -4.516 -6.417 100 H ALA 13 HN ALA 13 177.553 -0.933 -4.408 101 HA ALA 13 HA ALA 13 175.701 -2.757 -3.350 102 1HB ALA 13 HB1 ALA 13 176.084 -1.763 -1.329 103 2HB ALA 13 HB2 ALA 13 176.094 -0.134 -2.006 104 3HB ALA 13 HB3 ALA 13 177.495 -1.185 -2.216 105 H ILE 14 HN ILE 14 175.337 0.476 -4.635 106 HA ILE 14 HA ILE 14 172.702 0.976 -3.769 107 HB ILE 14 HB ILE 14 174.140 1.993 -6.227 108 1HG1 ILE 14 HG12 ILE 14 173.546 3.560 -3.736 109 2HG1 ILE 14 HG11 ILE 14 174.947 2.495 -3.796 110 1HG2 ILE 14 HG21 ILE 14 171.753 2.188 -6.566 111 2HG2 ILE 14 HG22 ILE 14 172.441 3.782 -6.252 112 3HG2 ILE 14 HG23 ILE 14 171.561 2.935 -4.979 113 1HD1 ILE 14 HD11 ILE 14 174.993 5.084 -4.498 114 2HD1 ILE 14 HD12 ILE 14 174.658 4.343 -6.063 115 3HD1 ILE 14 HD13 ILE 14 176.092 3.869 -5.152 116 H ASP 15 HN ASP 15 173.854 -0.127 -6.959 117 HA ASP 15 HA ASP 15 171.458 -0.645 -8.178 118 1HB ASP 15 HB2 ASP 15 174.193 -1.770 -8.427 119 2HB ASP 15 HB1 ASP 15 172.892 -2.691 -9.175 120 H ILE 16 HN ILE 16 173.043 -2.529 -5.688 121 HA ILE 16 HA ILE 16 171.456 -4.874 -5.990 122 HB ILE 16 HB ILE 16 172.908 -3.919 -3.517 123 1HG1 ILE 16 HG12 ILE 16 174.683 -4.151 -4.947 124 2HG1 ILE 16 HG11 ILE 16 174.521 -5.825 -4.426 125 1HG2 ILE 16 HG21 ILE 16 172.977 -6.576 -3.336 126 2HG2 ILE 16 HG22 ILE 16 171.460 -6.397 -4.219 127 3HG2 ILE 16 HG23 ILE 16 171.671 -5.605 -2.657 128 1HD1 ILE 16 HD11 ILE 16 173.501 -4.632 -6.994 129 2HD1 ILE 16 HD12 ILE 16 173.209 -6.289 -6.464 130 3HD1 ILE 16 HD13 ILE 16 174.853 -5.747 -6.800 131 H ALA 17 HN ALA 17 171.394 -2.333 -3.479 132 HA ALA 17 HA ALA 17 169.000 -3.176 -2.282 133 1HB ALA 17 HB1 ALA 17 169.024 -0.561 -1.661 134 2HB ALA 17 HB2 ALA 17 170.700 -0.770 -2.167 135 3HB ALA 17 HB3 ALA 17 170.042 -1.761 -0.865 136 H TYR 18 HN TYR 18 169.601 -0.664 -4.728 137 HA TYR 18 HA TYR 18 167.043 0.346 -4.992 138 1HB TYR 18 HB2 TYR 18 169.012 1.290 -6.130 139 2HB TYR 18 HB1 TYR 18 169.065 -0.107 -7.198 140 HD1 TYR 18 HD1 TYR 18 167.814 3.180 -6.759 141 HD2 TYR 18 HD2 TYR 18 166.943 -0.539 -8.632 142 HE1 TYR 18 HE1 TYR 18 166.301 4.328 -8.321 143 HE2 TYR 18 HE2 TYR 18 165.428 0.598 -10.200 144 HH TYR 18 HH TYR 18 165.435 3.741 -10.812 145 H ASP 19 HN ASP 19 168.475 -2.473 -6.590 146 HA ASP 19 HA ASP 19 166.267 -3.120 -8.200 147 1HB ASP 19 HB2 ASP 19 168.797 -4.339 -7.458 148 2HB ASP 19 HB1 ASP 19 167.514 -5.545 -7.595 149 H ILE 20 HN ILE 20 167.130 -4.045 -4.899 150 HA ILE 20 HA ILE 20 164.898 -5.837 -4.611 151 HB ILE 20 HB ILE 20 166.680 -4.644 -2.483 152 1HG1 ILE 20 HG12 ILE 20 166.885 -7.482 -3.381 153 2HG1 ILE 20 HG11 ILE 20 167.580 -6.234 -4.420 154 1HG2 ILE 20 HG21 ILE 20 164.712 -6.925 -2.399 155 2HG2 ILE 20 HG22 ILE 20 164.619 -5.401 -1.515 156 3HG2 ILE 20 HG23 ILE 20 165.882 -6.572 -1.127 157 1HD1 ILE 20 HD11 ILE 20 169.338 -6.948 -3.061 158 2HD1 ILE 20 HD12 ILE 20 168.332 -6.967 -1.613 159 3HD1 ILE 20 HD13 ILE 20 168.805 -5.430 -2.337 160 H PHE 21 HN PHE 21 165.335 -2.460 -4.436 161 HA PHE 21 HA PHE 21 163.338 -1.895 -2.483 162 1HB PHE 21 HB2 PHE 21 165.027 -0.245 -2.870 163 2HB PHE 21 HB1 PHE 21 164.694 -0.219 -4.598 164 HD1 PHE 21 HD1 PHE 21 163.197 0.574 -1.297 165 HD2 PHE 21 HD2 PHE 21 163.191 1.299 -5.490 166 HE1 PHE 21 HE1 PHE 21 161.635 2.445 -0.965 167 HE2 PHE 21 HE2 PHE 21 161.638 3.178 -5.164 168 HZ PHE 21 HZ PHE 21 160.851 3.751 -2.899 169 H LEU 22 HN LEU 22 163.386 -1.353 -6.014 170 HA LEU 22 HA LEU 22 160.564 -1.044 -6.108 171 1HB LEU 22 HB2 LEU 22 160.932 -1.124 -8.621 172 2HB LEU 22 HB1 LEU 22 161.645 0.207 -7.720 173 HG LEU 22 HG LEU 22 163.805 -0.559 -8.034 174 1HD1 LEU 22 HD11 LEU 22 162.726 -3.277 -8.733 175 2HD1 LEU 22 HD12 LEU 22 163.339 -2.811 -7.152 176 3HD1 LEU 22 HD13 LEU 22 164.420 -2.826 -8.545 177 1HD2 LEU 22 HD21 LEU 22 163.461 0.069 -10.173 178 2HD2 LEU 22 HD22 LEU 22 162.040 -0.960 -10.357 179 3HD2 LEU 22 HD23 LEU 22 163.656 -1.655 -10.490 180 H GLU 23 HN GLU 23 162.385 -3.801 -5.784 181 HA GLU 23 HA GLU 23 160.594 -5.446 -7.400 182 1HB GLU 23 HB2 GLU 23 162.735 -6.218 -7.762 183 2HB GLU 23 HB1 GLU 23 163.263 -5.824 -6.134 184 1HG GLU 23 HG2 GLU 23 162.562 -7.788 -5.269 185 2HG GLU 23 HG1 GLU 23 161.259 -7.973 -6.440 186 H MET 24 HN MET 24 161.815 -5.293 -4.050 187 HA MET 24 HA MET 24 159.899 -7.189 -3.092 188 1HB MET 24 HB2 MET 24 162.281 -6.142 -2.145 189 2HB MET 24 HB1 MET 24 161.078 -5.473 -1.051 190 1HG MET 24 HG2 MET 24 160.208 -7.862 -0.828 191 2HG MET 24 HG1 MET 24 161.727 -8.350 -1.590 192 1HE MET 24 HE1 MET 24 161.350 -6.230 2.487 193 2HE MET 24 HE2 MET 24 159.999 -6.695 1.454 194 3HE MET 24 HE3 MET 24 161.063 -5.374 0.972 195 H ALA 25 HN ALA 25 160.139 -3.685 -3.116 196 HA ALA 25 HA ALA 25 158.440 -2.634 -1.407 197 1HB ALA 25 HB1 ALA 25 159.275 -1.262 -3.155 198 2HB ALA 25 HB2 ALA 25 157.517 -1.137 -3.190 199 3HB ALA 25 HB3 ALA 25 158.352 -2.142 -4.374 200 H GLY 26 HN GLY 26 156.313 -2.499 -0.871 201 1HA GLY 26 HA2 GLY 26 153.955 -2.821 -1.512 202 2HA GLY 26 HA1 GLY 26 154.465 -4.309 -2.305 203 H GLU 27 HN GLU 27 155.113 -6.096 -1.010 204 HA GLU 27 HA GLU 27 153.628 -6.364 1.409 205 1HB GLU 27 HB2 GLU 27 155.370 -8.109 -0.254 206 2HB GLU 27 HB1 GLU 27 155.212 -8.540 1.443 207 1HG GLU 27 HG2 GLU 27 152.674 -8.335 1.016 208 2HG GLU 27 HG1 GLU 27 153.118 -8.457 -0.686 209 H ASN 28 HN ASN 28 154.724 -4.418 2.290 210 HA ASN 28 HA ASN 28 156.291 -4.968 4.438 211 1HB ASN 28 HB2 ASN 28 157.900 -5.163 2.137 212 2HB ASN 28 HB1 ASN 28 158.330 -3.625 2.893 213 1HD2 ASN 28 HD21 ASN 28 157.971 -4.230 5.547 214 2HD2 ASN 28 HD22 ASN 28 159.129 -5.418 6.028 215 H LEU 29 HN LEU 29 155.958 -2.616 1.827 216 HA LEU 29 HA LEU 29 156.228 -0.373 3.644 217 1HB LEU 29 HB2 LEU 29 156.909 -0.668 1.072 218 2HB LEU 29 HB1 LEU 29 155.303 0.000 0.849 219 HG LEU 29 HG LEU 29 157.239 1.384 2.667 220 1HD1 LEU 29 HD11 LEU 29 157.955 0.814 0.083 221 2HD1 LEU 29 HD12 LEU 29 158.525 2.200 1.012 222 3HD1 LEU 29 HD13 LEU 29 157.161 2.378 -0.089 223 1HD2 LEU 29 HD21 LEU 29 155.675 3.080 1.005 224 2HD2 LEU 29 HD22 LEU 29 155.598 2.862 2.755 225 3HD2 LEU 29 HD23 LEU 29 154.621 1.850 1.697 226 H ASP 30 HN ASP 30 154.573 1.358 3.689 227 HA ASP 30 HA ASP 30 151.949 0.197 4.052 228 1HB ASP 30 HB2 ASP 30 153.413 2.305 5.257 229 2HB ASP 30 HB1 ASP 30 151.979 3.024 4.533 230 HA PRO 31 HA PRO 31 149.987 1.389 0.303 231 1HB PRO 31 HB2 PRO 31 147.730 2.667 1.384 232 2HB PRO 31 HB1 PRO 31 147.874 0.952 0.974 233 1HG PRO 31 HG2 PRO 31 148.169 2.309 3.610 234 2HG PRO 31 HG1 PRO 31 147.500 0.711 3.233 235 1HD PRO 31 HD2 PRO 31 149.929 0.977 4.315 236 2HD PRO 31 HD1 PRO 31 149.602 -0.272 3.090 237 H ALA 32 HN ALA 32 149.495 3.979 2.731 238 HA ALA 32 HA ALA 32 149.262 6.099 0.975 239 1HB ALA 32 HB1 ALA 32 148.828 6.179 3.418 240 2HB ALA 32 HB2 ALA 32 149.771 7.545 2.822 241 3HB ALA 32 HB3 ALA 32 150.570 6.232 3.686 242 H ASP 33 HN ASP 33 152.243 5.196 2.721 243 HA ASP 33 HA ASP 33 153.940 6.977 1.432 244 1HB ASP 33 HB2 ASP 33 154.252 4.555 3.070 245 2HB ASP 33 HB1 ASP 33 155.606 4.884 1.994 246 H ILE 34 HN ILE 34 152.588 3.998 0.290 247 HA ILE 34 HA ILE 34 154.525 3.517 -1.754 248 HB ILE 34 HB ILE 34 151.751 2.471 -1.252 249 1HG1 ILE 34 HG12 ILE 34 154.383 1.018 -1.549 250 2HG1 ILE 34 HG11 ILE 34 153.770 1.614 -0.005 251 1HG2 ILE 34 HG21 ILE 34 153.435 1.989 -3.701 252 2HG2 ILE 34 HG22 ILE 34 151.804 2.658 -3.630 253 3HG2 ILE 34 HG23 ILE 34 152.081 0.965 -3.218 254 1HD1 ILE 34 HD11 ILE 34 153.380 -0.857 -0.729 255 2HD1 ILE 34 HD12 ILE 34 152.051 -0.165 -1.660 256 3HD1 ILE 34 HD13 ILE 34 152.106 0.045 0.091 257 H LEU 35 HN LEU 35 151.441 5.211 -1.566 258 HA LEU 35 HA LEU 35 151.086 5.748 -4.290 259 1HB LEU 35 HB2 LEU 35 149.320 6.100 -2.662 260 2HB LEU 35 HB1 LEU 35 150.253 7.362 -1.880 261 HG LEU 35 HG LEU 35 149.869 7.942 -4.694 262 1HD1 LEU 35 HD11 LEU 35 147.824 6.638 -4.412 263 2HD1 LEU 35 HD12 LEU 35 147.470 8.354 -4.621 264 3HD1 LEU 35 HD13 LEU 35 147.384 7.624 -3.018 265 1HD2 LEU 35 HD21 LEU 35 148.598 9.628 -2.660 266 2HD2 LEU 35 HD22 LEU 35 149.759 10.044 -3.920 267 3HD2 LEU 35 HD23 LEU 35 150.318 9.335 -2.406 268 H LEU 36 HN LEU 36 152.583 7.780 -1.762 269 HA LEU 36 HA LEU 36 153.340 9.900 -3.417 270 1HB LEU 36 HB2 LEU 36 153.618 9.264 -0.743 271 2HB LEU 36 HB1 LEU 36 155.277 9.298 -1.311 272 HG LEU 36 HG LEU 36 154.425 11.608 -2.374 273 1HD1 LEU 36 HD11 LEU 36 153.043 11.852 0.216 274 2HD1 LEU 36 HD12 LEU 36 152.189 10.949 -1.036 275 3HD1 LEU 36 HD13 LEU 36 152.695 12.612 -1.337 276 1HD2 LEU 36 HD21 LEU 36 156.323 11.768 -1.109 277 2HD2 LEU 36 HD22 LEU 36 155.617 10.907 0.259 278 3HD2 LEU 36 HD23 LEU 36 155.177 12.587 -0.047 279 H PHE 37 HN PHE 37 155.098 6.995 -2.501 280 HA PHE 37 HA PHE 37 157.515 7.472 -3.799 281 1HB PHE 37 HB2 PHE 37 157.619 5.609 -2.440 282 2HB PHE 37 HB1 PHE 37 156.042 5.019 -2.947 283 HD1 PHE 37 HD1 PHE 37 156.167 2.956 -3.930 284 HD2 PHE 37 HD2 PHE 37 159.253 5.781 -4.700 285 HE1 PHE 37 HE1 PHE 37 157.252 1.350 -5.442 286 HE2 PHE 37 HE2 PHE 37 160.342 4.181 -6.218 287 HZ PHE 37 HZ PHE 37 159.345 1.961 -6.589 288 H ASN 38 HN ASN 38 154.413 6.707 -5.115 289 HA ASN 38 HA ASN 38 155.410 5.743 -7.630 290 1HB ASN 38 HB2 ASN 38 152.619 6.599 -6.855 291 2HB ASN 38 HB1 ASN 38 153.059 5.718 -8.314 292 1HD2 ASN 38 HD21 ASN 38 154.847 3.892 -7.342 293 2HD2 ASN 38 HD22 ASN 38 154.039 2.810 -6.251 294 H LEU 39 HN LEU 39 154.032 8.825 -6.484 295 HA LEU 39 HA LEU 39 154.509 9.941 -9.153 296 1HB LEU 39 HB2 LEU 39 152.981 11.193 -6.881 297 2HB LEU 39 HB1 LEU 39 153.026 11.732 -8.548 298 HG LEU 39 HG LEU 39 150.969 10.682 -8.394 299 1HD1 LEU 39 HD11 LEU 39 152.205 9.831 -10.307 300 2HD1 LEU 39 HD12 LEU 39 151.116 8.602 -9.663 301 3HD1 LEU 39 HD13 LEU 39 152.844 8.516 -9.322 302 1HD2 LEU 39 HD21 LEU 39 151.506 8.100 -7.316 303 2HD2 LEU 39 HD22 LEU 39 150.442 9.362 -6.699 304 3HD2 LEU 39 HD23 LEU 39 152.137 9.326 -6.217 305 H GLN 40 HN GLN 40 156.506 9.609 -6.718 306 HA GLN 40 HA GLN 40 157.746 12.186 -7.247 307 1HB GLN 40 HB2 GLN 40 158.009 11.620 -4.413 308 2HB GLN 40 HB1 GLN 40 157.592 13.116 -5.223 309 1HG GLN 40 HG2 GLN 40 155.383 11.263 -5.275 310 2HG GLN 40 HG1 GLN 40 155.959 11.530 -3.635 311 1HE2 GLN 40 HE21 GLN 40 153.515 12.348 -4.056 312 2HE2 GLN 40 HE22 GLN 40 153.414 14.064 -4.226 313 H PHE 41 HN PHE 41 158.290 9.265 -7.751 314 HA PHE 41 HA PHE 41 160.930 9.141 -6.445 315 1HB PHE 41 HB2 PHE 41 159.285 7.245 -6.027 316 2HB PHE 41 HB1 PHE 41 159.528 6.794 -7.718 317 HD1 PHE 41 HD1 PHE 41 161.524 5.703 -8.423 318 HD2 PHE 41 HD2 PHE 41 161.148 7.126 -4.430 319 HE1 PHE 41 HE1 PHE 41 163.535 4.435 -7.785 320 HE2 PHE 41 HE2 PHE 41 163.156 5.862 -3.785 321 HZ PHE 41 HZ PHE 41 164.355 4.515 -5.463 322 H GLU 42 HN GLU 42 159.358 9.661 -9.387 323 HA GLU 42 HA GLU 42 161.539 8.698 -11.047 324 1HB GLU 42 HB2 GLU 42 159.304 8.427 -11.921 325 2HB GLU 42 HB1 GLU 42 158.961 10.136 -11.692 326 1HG GLU 42 HG2 GLU 42 160.571 10.721 -13.398 327 2HG GLU 42 HG1 GLU 42 161.012 9.025 -13.593 328 H GLU 43 HN GLU 43 160.219 11.691 -9.816 329 HA GLU 43 HA GLU 43 162.447 13.168 -11.052 330 1HB GLU 43 HB2 GLU 43 161.084 15.177 -10.878 331 2HB GLU 43 HB1 GLU 43 160.220 13.933 -11.770 332 1HG GLU 43 HG2 GLU 43 158.942 13.392 -9.745 333 2HG GLU 43 HG1 GLU 43 159.784 14.682 -8.888 334 H ARG 44 HN ARG 44 160.894 12.278 -8.084 335 HA ARG 44 HA ARG 44 162.830 13.924 -6.593 336 1HB ARG 44 HB2 ARG 44 159.947 13.500 -6.243 337 2HB ARG 44 HB1 ARG 44 160.875 13.282 -4.768 338 1HG ARG 44 HG2 ARG 44 160.776 15.475 -4.502 339 2HG ARG 44 HG1 ARG 44 161.892 15.613 -5.861 340 1HD ARG 44 HD2 ARG 44 160.303 16.409 -7.226 341 2HD ARG 44 HD1 ARG 44 159.110 15.238 -6.666 342 HE ARG 44 HE ARG 44 159.661 17.361 -4.797 343 1HH1 ARG 44 HH11 ARG 44 157.705 16.345 -7.504 344 2HH1 ARG 44 HH12 ARG 44 156.411 17.435 -7.137 345 1HH2 ARG 44 HH21 ARG 44 157.961 18.794 -4.314 346 2HH2 ARG 44 HH22 ARG 44 156.556 18.827 -5.327 347 H GLY 45 HN GLY 45 163.113 11.184 -7.691 348 1HA GLY 45 HA2 GLY 45 163.289 9.644 -5.183 349 2HA GLY 45 HA1 GLY 45 163.211 8.942 -6.794 350 H GLY 46 HN GLY 46 165.218 9.803 -4.252 351 1HA GLY 46 HA2 GLY 46 167.579 9.256 -5.921 352 2HA GLY 46 HA1 GLY 46 167.591 10.646 -4.844 353 H VAL 47 HN VAL 47 169.136 8.005 -4.954 354 HA VAL 47 HA VAL 47 168.618 7.245 -2.156 355 HB VAL 47 HB VAL 47 169.859 5.039 -2.991 356 1HG1 VAL 47 HG11 VAL 47 167.370 4.351 -3.769 357 2HG1 VAL 47 HG12 VAL 47 167.027 5.859 -2.918 358 3HG1 VAL 47 HG13 VAL 47 167.856 4.544 -2.085 359 1HG2 VAL 47 HG21 VAL 47 168.288 5.582 -5.467 360 2HG2 VAL 47 HG22 VAL 47 169.637 4.478 -5.204 361 3HG2 VAL 47 HG23 VAL 47 169.931 6.211 -5.344 362 H GLU 48 HN GLU 48 170.349 7.093 -0.795 363 HA GLU 48 HA GLU 48 172.992 7.725 -1.932 364 1HB GLU 48 HB2 GLU 48 172.009 8.697 0.751 365 2HB GLU 48 HB1 GLU 48 173.476 9.175 -0.091 366 1HG GLU 48 HG2 GLU 48 170.870 9.660 -1.427 367 2HG GLU 48 HG1 GLU 48 171.326 10.692 -0.073 368 H PHE 49 HN PHE 49 174.617 6.422 -1.342 369 HA PHE 49 HA PHE 49 174.069 4.112 0.246 370 1HB PHE 49 HB2 PHE 49 175.595 4.026 -1.679 371 2HB PHE 49 HB1 PHE 49 176.691 5.137 -0.865 372 HD1 PHE 49 HD1 PHE 49 178.112 4.396 0.922 373 HD2 PHE 49 HD2 PHE 49 175.363 1.725 -0.926 374 HE1 PHE 49 HE1 PHE 49 179.254 2.492 1.983 375 HE2 PHE 49 HE2 PHE 49 176.499 -0.183 0.132 376 HZ PHE 49 HZ PHE 49 178.446 0.200 1.589 377 H VAL 50 HN VAL 50 174.016 4.116 2.382 378 HA VAL 50 HA VAL 50 175.734 6.007 3.839 379 HB VAL 50 HB VAL 50 174.095 5.174 5.784 380 1HG1 VAL 50 HG11 VAL 50 174.461 7.484 5.179 381 2HG1 VAL 50 HG12 VAL 50 172.731 7.179 5.344 382 3HG1 VAL 50 HG13 VAL 50 173.457 7.296 3.741 383 1HG2 VAL 50 HG21 VAL 50 172.187 5.223 3.479 384 2HG2 VAL 50 HG22 VAL 50 171.942 4.626 5.121 385 3HG2 VAL 50 HG23 VAL 50 172.939 3.712 3.989 386 H GLU 51 HN GLU 51 175.876 4.938 6.306 387 HA GLU 51 HA GLU 51 177.234 2.371 5.856 388 1HB GLU 51 HB2 GLU 51 178.865 2.971 7.448 389 2HB GLU 51 HB1 GLU 51 178.631 4.412 6.470 390 1HG GLU 51 HG2 GLU 51 176.848 4.871 8.438 391 2HG GLU 51 HG1 GLU 51 178.064 3.941 9.314 392 H THR 52 HN THR 52 177.595 1.414 8.291 393 HA THR 52 HA THR 52 174.874 0.894 9.204 394 HB THR 52 HB THR 52 177.460 -0.469 9.972 395 HG1 THR 52 HG1 THR 52 177.255 -1.593 8.226 396 1HG2 THR 52 HG21 THR 52 176.051 -2.333 10.660 397 2HG2 THR 52 HG22 THR 52 174.610 -1.374 10.317 398 3HG2 THR 52 HG23 THR 52 175.714 -0.881 11.603 399 H ALA 53 HN ALA 53 174.472 0.708 11.543 400 HA ALA 53 HA ALA 53 175.538 3.023 12.931 401 1HB ALA 53 HB1 ALA 53 173.575 3.042 14.009 402 2HB ALA 53 HB2 ALA 53 173.715 1.340 14.460 403 3HB ALA 53 HB3 ALA 53 173.064 1.786 12.880 404 H ASP 54 HN ASP 54 175.136 1.842 15.598 405 HA ASP 54 HA ASP 54 177.732 0.554 15.821 406 1HB ASP 54 HB2 ASP 54 176.535 2.402 17.394 407 2HB ASP 54 HB1 ASP 54 176.044 0.933 18.232 408 H ASP 55 HN ASP 55 174.313 -0.082 16.586 409 HA ASP 55 HA ASP 55 174.260 -2.728 15.871 410 1HB ASP 55 HB2 ASP 55 174.239 -3.792 18.195 411 2HB ASP 55 HB1 ASP 55 175.820 -3.355 17.554 412 H TRP 56 HN TRP 56 172.201 -2.113 15.217 413 HA TRP 56 HA TRP 56 170.349 -1.319 17.352 414 1HB TRP 56 HB2 TRP 56 168.863 -0.702 15.286 415 2HB TRP 56 HB1 TRP 56 170.154 0.374 15.818 416 HD1 TRP 56 HD1 TRP 56 172.627 -0.260 14.377 417 HE1 TRP 56 HE1 TRP 56 172.827 -0.422 11.817 418 HE3 TRP 56 HE3 TRP 56 167.723 -1.121 13.234 419 HZ2 TRP 56 HZ2 TRP 56 171.128 -0.847 9.603 420 HZ3 TRP 56 HZ3 TRP 56 167.089 -1.392 10.873 421 HH2 TRP 56 HH2 TRP 56 168.754 -1.261 9.093 422 H GLU 57 HN GLU 57 170.873 -3.952 17.368 423 HA GLU 57 HA GLU 57 169.103 -5.509 15.781 424 1HB GLU 57 HB2 GLU 57 169.536 -7.277 17.536 425 2HB GLU 57 HB1 GLU 57 170.968 -6.625 16.752 426 1HG GLU 57 HG2 GLU 57 171.747 -5.691 18.645 427 2HG GLU 57 HG1 GLU 57 170.138 -5.271 19.230 428 H GLU 58 HN GLU 58 167.335 -3.791 16.253 429 HA GLU 58 HA GLU 58 165.488 -4.978 18.149 430 1HB GLU 58 HB2 GLU 58 166.974 -2.845 18.996 431 2HB GLU 58 HB1 GLU 58 165.541 -2.047 18.364 432 1HG GLU 58 HG2 GLU 58 164.146 -3.485 19.802 433 2HG GLU 58 HG1 GLU 58 165.615 -4.186 20.480 434 H GLU 59 HN GLU 59 166.095 -2.464 15.732 435 HA GLU 59 HA GLU 59 163.317 -2.090 15.106 436 1HB GLU 59 HB2 GLU 59 165.889 -1.192 13.826 437 2HB GLU 59 HB1 GLU 59 164.337 -0.906 13.055 438 1HG GLU 59 HG2 GLU 59 165.288 0.142 15.704 439 2HG GLU 59 HG1 GLU 59 164.955 1.058 14.233 440 H ILE 60 HN ILE 60 166.068 -3.494 13.363 441 HA ILE 60 HA ILE 60 164.328 -4.751 11.426 442 HB ILE 60 HB ILE 60 166.540 -5.733 10.589 443 1HG1 ILE 60 HG12 ILE 60 167.638 -3.657 12.505 444 2HG1 ILE 60 HG11 ILE 60 167.800 -5.405 12.693 445 1HG2 ILE 60 HG21 ILE 60 167.258 -3.331 9.808 446 2HG2 ILE 60 HG22 ILE 60 165.745 -2.863 10.583 447 3HG2 ILE 60 HG23 ILE 60 165.736 -4.040 9.270 448 1HD1 ILE 60 HD11 ILE 60 169.645 -3.794 11.562 449 2HD1 ILE 60 HD12 ILE 60 168.757 -4.335 10.136 450 3HD1 ILE 60 HD13 ILE 60 169.482 -5.519 11.222 451 H GLY 61 HN GLY 61 165.590 -5.557 14.474 452 1HA GLY 61 HA2 GLY 61 165.493 -7.485 15.714 453 2HA GLY 61 HA1 GLY 61 164.370 -8.096 14.510 454 H VAL 62 HN VAL 62 167.809 -7.659 15.210 455 HA VAL 62 HA VAL 62 168.644 -10.206 14.694 456 HB VAL 62 HB VAL 62 169.869 -9.524 12.380 457 1HG1 VAL 62 HG11 VAL 62 168.206 -11.474 13.220 458 2HG1 VAL 62 HG12 VAL 62 168.841 -11.342 11.580 459 3HG1 VAL 62 HG13 VAL 62 167.229 -10.731 11.952 460 1HG2 VAL 62 HG21 VAL 62 167.144 -8.706 11.618 461 2HG2 VAL 62 HG22 VAL 62 168.707 -8.182 10.993 462 3HG2 VAL 62 HG23 VAL 62 168.088 -7.503 12.498 463 H LEU 63 HN LEU 63 170.894 -10.457 14.863 464 HA LEU 63 HA LEU 63 172.243 -8.413 16.235 465 1HB LEU 63 HB2 LEU 63 172.948 -11.065 15.125 466 2HB LEU 63 HB1 LEU 63 174.287 -9.968 15.404 467 HG LEU 63 HG LEU 63 172.517 -10.053 17.697 468 1HD1 LEU 63 HD11 LEU 63 173.814 -12.659 16.920 469 2HD1 LEU 63 HD12 LEU 63 172.082 -12.333 16.849 470 3HD1 LEU 63 HD13 LEU 63 172.919 -12.319 18.401 471 1HD2 LEU 63 HD21 LEU 63 174.822 -9.187 17.669 472 2HD2 LEU 63 HD22 LEU 63 175.413 -10.818 17.356 473 3HD2 LEU 63 HD23 LEU 63 174.593 -10.454 18.874 474 H ILE 64 HN ILE 64 173.285 -6.662 15.532 475 HA ILE 64 HA ILE 64 173.776 -6.416 12.654 476 HB ILE 64 HB ILE 64 173.968 -4.157 14.626 477 1HG1 ILE 64 HG12 ILE 64 171.776 -5.037 15.013 478 2HG1 ILE 64 HG11 ILE 64 171.590 -3.632 13.969 479 1HG2 ILE 64 HG21 ILE 64 172.976 -3.174 12.291 480 2HG2 ILE 64 HG22 ILE 64 174.013 -4.479 11.715 481 3HG2 ILE 64 HG23 ILE 64 174.684 -3.201 12.729 482 1HD1 ILE 64 HD11 ILE 64 171.406 -5.130 12.031 483 2HD1 ILE 64 HD12 ILE 64 170.148 -5.414 13.235 484 3HD1 ILE 64 HD13 ILE 64 171.521 -6.515 13.116 485 H ASP 65 HN ASP 65 175.727 -5.801 11.806 486 HA ASP 65 HA ASP 65 178.018 -5.507 13.589 487 1HB ASP 65 HB2 ASP 65 177.438 -7.914 12.174 488 2HB ASP 65 HB1 ASP 65 178.852 -7.175 11.430 489 HA PRO 66 HA PRO 66 178.088 -2.202 10.414 490 1HB PRO 66 HB2 PRO 66 180.354 -1.084 11.656 491 2HB PRO 66 HB1 PRO 66 178.675 -0.570 11.866 492 1HG PRO 66 HG2 PRO 66 180.347 -2.341 13.578 493 2HG PRO 66 HG1 PRO 66 179.077 -1.195 14.043 494 1HD PRO 66 HD2 PRO 66 178.643 -3.834 14.056 495 2HD PRO 66 HD1 PRO 66 177.373 -2.697 13.555 496 H GLU 67 HN GLU 67 179.673 -1.566 8.835 497 HA GLU 67 HA GLU 67 181.394 -1.888 7.377 498 1HB GLU 67 HB2 GLU 67 182.483 -2.783 9.866 499 2HB GLU 67 HB1 GLU 67 183.001 -3.890 8.602 500 1HG GLU 67 HG2 GLU 67 183.852 -1.991 7.307 501 2HG GLU 67 HG1 GLU 67 183.364 -0.903 8.606 502 H GLU 68 HN GLU 68 180.793 -4.995 9.033 503 HA GLU 68 HA GLU 68 181.168 -6.689 6.895 504 1HB GLU 68 HB2 GLU 68 179.667 -6.804 9.441 505 2HB GLU 68 HB1 GLU 68 179.180 -7.974 8.215 506 1HG GLU 68 HG2 GLU 68 181.120 -9.133 8.350 507 2HG GLU 68 HG1 GLU 68 182.080 -7.698 8.730 508 H TYR 69 HN TYR 69 178.457 -4.614 7.594 509 HA TYR 69 HA TYR 69 177.138 -5.583 5.142 510 1HB TYR 69 HB2 TYR 69 175.717 -4.404 7.537 511 2HB TYR 69 HB1 TYR 69 174.981 -5.145 6.112 512 HD1 TYR 69 HD1 TYR 69 175.283 -7.627 5.753 513 HD2 TYR 69 HD2 TYR 69 176.333 -5.704 9.398 514 HE1 TYR 69 HE1 TYR 69 175.251 -9.801 6.902 515 HE2 TYR 69 HE2 TYR 69 176.305 -7.872 10.558 516 HH TYR 69 HH TYR 69 174.875 -10.555 9.406 517 H ALA 70 HN ALA 70 176.209 -4.050 3.783 518 HA ALA 70 HA ALA 70 177.204 -1.318 4.171 519 1HB ALA 70 HB1 ALA 70 176.807 -3.047 1.860 520 2HB ALA 70 HB2 ALA 70 177.849 -1.637 2.053 521 3HB ALA 70 HB3 ALA 70 176.150 -1.427 1.627 522 H GLU 71 HN GLU 71 175.841 0.444 4.232 523 HA GLU 71 HA GLU 71 172.985 -0.206 4.477 524 1HB GLU 71 HB2 GLU 71 174.075 0.777 6.463 525 2HB GLU 71 HB1 GLU 71 174.489 2.200 5.519 526 1HG GLU 71 HG2 GLU 71 172.609 2.884 6.654 527 2HG GLU 71 HG1 GLU 71 171.943 2.374 5.104 528 H VAL 72 HN VAL 72 171.541 0.584 3.105 529 HA VAL 72 HA VAL 72 172.280 2.874 1.425 530 HB VAL 72 HB VAL 72 171.605 0.158 0.529 531 1HG1 VAL 72 HG11 VAL 72 170.463 1.105 -1.557 532 2HG1 VAL 72 HG12 VAL 72 170.119 2.526 -0.572 533 3HG1 VAL 72 HG13 VAL 72 169.488 0.949 -0.096 534 1HG2 VAL 72 HG21 VAL 72 173.653 0.927 -0.197 535 2HG2 VAL 72 HG22 VAL 72 173.051 2.559 -0.493 536 3HG2 VAL 72 HG23 VAL 72 172.631 1.249 -1.598 537 H TRP 73 HN TRP 73 170.848 4.438 1.549 538 HA TRP 73 HA TRP 73 168.171 3.800 2.590 539 1HB TRP 73 HB2 TRP 73 169.950 6.192 2.832 540 2HB TRP 73 HB1 TRP 73 168.205 6.408 2.959 541 HD1 TRP 73 HD1 TRP 73 169.515 3.161 4.313 542 HE1 TRP 73 HE1 TRP 73 169.417 3.189 6.883 543 HE3 TRP 73 HE3 TRP 73 168.459 8.111 5.030 544 HZ2 TRP 73 HZ2 TRP 73 168.948 5.052 8.937 545 HZ3 TRP 73 HZ3 TRP 73 168.202 8.937 7.334 546 HH2 TRP 73 HH2 TRP 73 168.444 7.439 9.248 547 H VAL 74 HN VAL 74 166.320 4.609 1.644 548 HA VAL 74 HA VAL 74 166.632 5.866 -0.997 549 HB VAL 74 HB VAL 74 164.434 3.902 -0.393 550 1HG1 VAL 74 HG11 VAL 74 165.391 4.198 -3.128 551 2HG1 VAL 74 HG12 VAL 74 164.802 5.708 -2.430 552 3HG1 VAL 74 HG13 VAL 74 163.752 4.291 -2.482 553 1HG2 VAL 74 HG21 VAL 74 167.194 3.273 -0.714 554 2HG2 VAL 74 HG22 VAL 74 166.327 2.732 -2.151 555 3HG2 VAL 74 HG23 VAL 74 165.824 2.176 -0.555 556 H GLY 75 HN GLY 75 166.010 7.890 -0.531 557 1HA GLY 75 HA2 GLY 75 163.481 8.245 0.956 558 2HA GLY 75 HA1 GLY 75 164.778 9.426 0.910 559 H LEU 76 HN LEU 76 163.630 11.128 0.164 560 HA LEU 76 HA LEU 76 162.802 10.977 -2.646 561 1HB LEU 76 HB2 LEU 76 160.922 11.080 -0.574 562 2HB LEU 76 HB1 LEU 76 161.024 12.731 -1.153 563 HG LEU 76 HG LEU 76 160.361 12.090 -3.354 564 1HD1 LEU 76 HD11 LEU 76 161.098 10.132 -4.120 565 2HD1 LEU 76 HD12 LEU 76 159.698 9.416 -3.317 566 3HD1 LEU 76 HD13 LEU 76 161.258 9.464 -2.496 567 1HD2 LEU 76 HD21 LEU 76 158.293 12.217 -2.550 568 2HD2 LEU 76 HD22 LEU 76 158.771 11.458 -1.032 569 3HD2 LEU 76 HD23 LEU 76 158.307 10.458 -2.409 570 H VAL 77 HN VAL 77 165.076 11.928 -2.333 571 HA VAL 77 HA VAL 77 165.681 14.394 -1.340 572 HB VAL 77 HB VAL 77 167.320 14.610 -3.252 573 1HG1 VAL 77 HG11 VAL 77 167.306 12.006 -1.731 574 2HG1 VAL 77 HG12 VAL 77 167.838 13.561 -1.093 575 3HG1 VAL 77 HG13 VAL 77 168.715 12.809 -2.425 576 1HG2 VAL 77 HG21 VAL 77 166.209 11.900 -3.975 577 2HG2 VAL 77 HG22 VAL 77 167.601 12.693 -4.714 578 3HG2 VAL 77 HG23 VAL 77 165.988 13.378 -4.911 579 H ASN 78 HN ASN 78 166.313 16.338 -2.746 580 HA ASN 78 HA ASN 78 164.111 17.040 -4.549 581 1HB ASN 78 HB2 ASN 78 164.052 19.302 -3.495 582 2HB ASN 78 HB1 ASN 78 163.539 18.004 -2.425 583 1HD2 ASN 78 HD21 ASN 78 164.248 18.218 -0.451 584 2HD2 ASN 78 HD22 ASN 78 165.757 18.906 0.031 585 H GLU 79 HN GLU 79 165.613 19.832 -4.219 586 HA GLU 79 HA GLU 79 167.049 19.543 -6.670 587 1HB GLU 79 HB2 GLU 79 166.930 21.937 -4.839 588 2HB GLU 79 HB1 GLU 79 167.413 21.929 -6.529 589 1HG GLU 79 HG2 GLU 79 165.256 21.656 -7.286 590 2HG GLU 79 HG1 GLU 79 164.699 20.961 -5.765 591 H GLN 80 HN GLN 80 168.003 19.448 -3.315 592 HA GLN 80 HA GLN 80 170.766 19.998 -4.025 593 1HB GLN 80 HB2 GLN 80 170.985 19.554 -1.427 594 2HB GLN 80 HB1 GLN 80 170.399 21.085 -2.063 595 1HG GLN 80 HG2 GLN 80 168.184 20.609 -1.516 596 2HG GLN 80 HG1 GLN 80 168.511 18.893 -1.294 597 1HE2 GLN 80 HE21 GLN 80 170.632 18.833 0.342 598 2HE2 GLN 80 HE22 GLN 80 170.267 19.579 1.856 599 H ASP 81 HN ASP 81 169.855 17.685 -1.547 600 HA ASP 81 HA ASP 81 170.363 15.341 -3.047 601 1HB ASP 81 HB2 ASP 81 172.573 14.748 -2.116 602 2HB ASP 81 HB1 ASP 81 172.643 16.183 -3.135 603 H GLU 82 HN GLU 82 170.259 16.930 0.084 604 HA GLU 82 HA GLU 82 170.126 14.581 1.658 605 1HB GLU 82 HB2 GLU 82 169.034 17.341 2.240 606 2HB GLU 82 HB1 GLU 82 169.244 16.058 3.423 607 1HG GLU 82 HG2 GLU 82 171.648 16.110 3.082 608 2HG GLU 82 HG1 GLU 82 171.457 17.358 1.851 609 H MET 83 HN MET 83 168.632 13.078 1.177 610 HA MET 83 HA MET 83 166.191 13.435 -0.022 611 1HB MET 83 HB2 MET 83 165.525 11.276 1.289 612 2HB MET 83 HB1 MET 83 166.770 11.218 0.054 613 1HG MET 83 HG2 MET 83 168.469 11.427 1.880 614 2HG MET 83 HG1 MET 83 167.150 11.249 3.036 615 1HE MET 83 HE1 MET 83 168.975 9.654 0.001 616 2HE MET 83 HE2 MET 83 167.301 9.350 -0.465 617 3HE MET 83 HE3 MET 83 168.352 8.005 -0.013 618 H ASP 84 HN ASP 84 167.030 14.073 3.267 619 HA ASP 84 HA ASP 84 165.897 15.065 4.968 620 1HB ASP 84 HB2 ASP 84 164.398 15.859 2.571 621 2HB ASP 84 HB1 ASP 84 163.458 15.919 4.059 622 H ASP 85 HN ASP 85 164.412 12.535 3.167 623 HA ASP 85 HA ASP 85 163.246 11.440 5.549 624 1HB ASP 85 HB2 ASP 85 161.617 12.967 3.754 625 2HB ASP 85 HB1 ASP 85 161.143 11.268 3.634 626 H VAL 86 HN VAL 86 163.397 9.291 5.485 627 HA VAL 86 HA VAL 86 164.181 8.066 2.940 628 HB VAL 86 HB VAL 86 165.856 7.379 4.300 629 1HG1 VAL 86 HG11 VAL 86 163.997 7.443 6.669 630 2HG1 VAL 86 HG12 VAL 86 165.131 8.711 6.200 631 3HG1 VAL 86 HG13 VAL 86 165.733 7.136 6.721 632 1HG2 VAL 86 HG21 VAL 86 164.417 5.350 3.703 633 2HG2 VAL 86 HG22 VAL 86 163.926 5.360 5.397 634 3HG2 VAL 86 HG23 VAL 86 165.625 5.152 4.973 635 H PHE 87 HN PHE 87 163.050 6.495 1.992 636 HA PHE 87 HA PHE 87 160.395 5.913 3.023 637 1HB PHE 87 HB2 PHE 87 161.756 5.723 0.387 638 2HB PHE 87 HB1 PHE 87 160.468 4.566 0.700 639 HD1 PHE 87 HD1 PHE 87 158.182 5.292 0.952 640 HD2 PHE 87 HD2 PHE 87 161.296 8.077 0.160 641 HE1 PHE 87 HE1 PHE 87 156.507 6.987 0.344 642 HE2 PHE 87 HE2 PHE 87 159.626 9.773 -0.449 643 HZ PHE 87 HZ PHE 87 157.227 9.233 -0.358 644 H ALA 88 HN ALA 88 163.434 4.298 2.310 645 HA ALA 88 HA ALA 88 162.734 2.111 4.041 646 1HB ALA 88 HB1 ALA 88 162.798 0.345 2.501 647 2HB ALA 88 HB2 ALA 88 163.465 1.364 1.225 648 3HB ALA 88 HB3 ALA 88 161.785 1.560 1.722 649 H LYS 89 HN LYS 89 164.597 0.608 4.303 650 HA LYS 89 HA LYS 89 167.167 1.830 3.574 651 1HB LYS 89 HB2 LYS 89 167.122 0.535 6.212 652 2HB LYS 89 HB1 LYS 89 167.862 2.051 5.719 653 1HG LYS 89 HG2 LYS 89 165.306 2.814 5.667 654 2HG LYS 89 HG1 LYS 89 165.185 1.533 6.872 655 1HD LYS 89 HD2 LYS 89 167.020 2.613 8.135 656 2HD LYS 89 HD1 LYS 89 167.018 3.920 6.952 657 1HE LYS 89 HE2 LYS 89 164.530 4.169 7.522 658 2HE LYS 89 HE1 LYS 89 164.895 3.187 8.939 659 1HZ LYS 89 HZ1 LYS 89 166.778 4.936 9.248 660 2HZ LYS 89 HZ2 LYS 89 165.202 5.286 9.753 661 3HZ LYS 89 HZ3 LYS 89 165.778 5.909 8.290 662 H PHE 90 HN PHE 90 168.880 0.294 3.266 663 HA PHE 90 HA PHE 90 168.027 -2.513 3.434 664 1HB PHE 90 HB2 PHE 90 169.320 -1.208 1.038 665 2HB PHE 90 HB1 PHE 90 169.047 -2.938 1.217 666 HD1 PHE 90 HD1 PHE 90 167.235 0.311 1.212 667 HD2 PHE 90 HD2 PHE 90 167.081 -3.873 0.450 668 HE1 PHE 90 HE1 PHE 90 164.987 0.574 0.249 669 HE2 PHE 90 HE2 PHE 90 164.832 -3.619 -0.515 670 HZ PHE 90 HZ PHE 90 163.781 -1.393 -0.614 671 H LEU 91 HN LEU 91 169.468 -3.927 4.082 672 HA LEU 91 HA LEU 91 172.277 -3.083 4.360 673 1HB LEU 91 HB2 LEU 91 171.046 -5.115 6.181 674 2HB LEU 91 HB1 LEU 91 172.459 -4.112 6.441 675 HG LEU 91 HG LEU 91 169.726 -2.882 6.294 676 1HD1 LEU 91 HD11 LEU 91 169.809 -4.782 7.965 677 2HD1 LEU 91 HD12 LEU 91 169.372 -3.197 8.599 678 3HD1 LEU 91 HD13 LEU 91 171.002 -3.828 8.845 679 1HD2 LEU 91 HD21 LEU 91 170.761 -1.160 7.645 680 2HD2 LEU 91 HD22 LEU 91 171.720 -1.440 6.191 681 3HD2 LEU 91 HD23 LEU 91 172.254 -2.095 7.739 682 H ILE 92 HN ILE 92 173.756 -4.428 3.428 683 HA ILE 92 HA ILE 92 172.851 -7.129 2.698 684 HB ILE 92 HB ILE 92 174.627 -6.292 0.666 685 1HG1 ILE 92 HG12 ILE 92 173.962 -3.969 1.341 686 2HG1 ILE 92 HG11 ILE 92 173.580 -4.385 -0.327 687 1HG2 ILE 92 HG21 ILE 92 172.242 -7.690 0.935 688 2HG2 ILE 92 HG22 ILE 92 173.196 -7.484 -0.532 689 3HG2 ILE 92 HG23 ILE 92 171.875 -6.373 -0.179 690 1HD1 ILE 92 HD11 ILE 92 171.499 -3.768 0.041 691 2HD1 ILE 92 HD12 ILE 92 171.854 -3.480 1.745 692 3HD1 ILE 92 HD13 ILE 92 171.341 -5.079 1.207 693 H SER 93 HN SER 93 174.284 -8.723 2.927 694 HA SER 93 HA SER 93 176.600 -8.333 4.491 695 1HB SER 93 HB2 SER 93 175.126 -10.465 4.150 696 2HB SER 93 HB1 SER 93 176.220 -10.789 2.806 697 HG SER 93 HG SER 93 176.641 -11.017 5.493 698 H HIS 94 HN HIS 94 178.637 -7.864 3.957 699 HA HIS 94 HA HIS 94 179.305 -7.219 1.260 700 1HB HIS 94 HB2 HIS 94 180.737 -7.153 3.884 701 2HB HIS 94 HB1 HIS 94 181.678 -7.029 2.397 702 HD1 HIS 94 HD1 HIS 94 181.574 -4.842 1.128 703 HD2 HIS 94 HD2 HIS 94 178.989 -4.959 4.369 704 HE1 HIS 94 HE1 HIS 94 180.786 -2.477 1.434 705 HE2 HIS 94 HE2 HIS 94 179.283 -2.557 3.457 706 H ARG 95 HN ARG 95 179.696 -10.031 3.249 707 HA ARG 95 HA ARG 95 181.887 -11.280 2.119 708 1HB ARG 95 HB2 ARG 95 179.713 -12.025 3.797 709 2HB ARG 95 HB1 ARG 95 179.875 -13.258 2.555 710 1HG ARG 95 HG2 ARG 95 182.015 -13.838 3.225 711 2HG ARG 95 HG1 ARG 95 182.275 -12.305 4.060 712 1HD ARG 95 HD2 ARG 95 180.058 -13.483 5.303 713 2HD ARG 95 HD1 ARG 95 181.222 -14.787 5.069 714 HE ARG 95 HE ARG 95 182.589 -13.809 6.627 715 1HH1 ARG 95 HH11 ARG 95 180.129 -11.523 5.676 716 2HH1 ARG 95 HH12 ARG 95 180.541 -10.377 6.906 717 1HH2 ARG 95 HH21 ARG 95 183.133 -12.302 8.246 718 2HH2 ARG 95 HH22 ARG 95 182.247 -10.818 8.365 719 H GLU 96 HN GLU 96 182.053 -12.982 0.550 720 HA GLU 96 HA GLU 96 180.672 -12.337 -1.882 721 1HB GLU 96 HB2 GLU 96 183.146 -13.283 -1.352 722 2HB GLU 96 HB1 GLU 96 182.328 -14.785 -1.758 723 1HG GLU 96 HG2 GLU 96 181.792 -12.608 -3.628 724 2HG GLU 96 HG1 GLU 96 183.489 -13.080 -3.539 725 H GLU 97 HN GLU 97 181.064 -15.416 -0.107 726 HA GLU 97 HA GLU 97 178.730 -16.505 -1.439 727 1HB GLU 97 HB2 GLU 97 179.300 -18.589 -0.403 728 2HB GLU 97 HB1 GLU 97 180.790 -17.864 -0.992 729 1HG GLU 97 HG2 GLU 97 181.219 -17.031 1.311 730 2HG GLU 97 HG1 GLU 97 179.806 -17.938 1.849 731 H ASP 98 HN ASP 98 176.864 -17.274 -0.336 732 HA ASP 98 HA ASP 98 175.073 -16.928 1.040 733 1HB ASP 98 HB2 ASP 98 177.248 -17.932 2.563 734 2HB ASP 98 HB1 ASP 98 176.414 -16.750 3.567 735 H ARG 99 HN ARG 99 174.168 -14.954 0.753 736 HA ARG 99 HA ARG 99 175.244 -12.760 2.389 737 1HB ARG 99 HB2 ARG 99 175.848 -12.021 0.277 738 2HB ARG 99 HB1 ARG 99 174.470 -12.794 -0.502 739 1HG ARG 99 HG2 ARG 99 173.943 -10.519 1.346 740 2HG ARG 99 HG1 ARG 99 174.636 -10.176 -0.240 741 1HD ARG 99 HD2 ARG 99 172.400 -12.057 -0.313 742 2HD ARG 99 HD1 ARG 99 171.966 -10.463 0.309 743 HE ARG 99 HE ARG 99 173.366 -9.889 -1.930 744 1HH1 ARG 99 HH11 ARG 99 170.658 -11.996 -1.290 745 2HH1 ARG 99 HH12 ARG 99 169.989 -11.825 -2.878 746 1HH2 ARG 99 HH21 ARG 99 172.487 -9.663 -4.021 747 2HH2 ARG 99 HH22 ARG 99 171.027 -10.502 -4.428 748 H GLU 100 HN GLU 100 173.826 -11.892 3.748 749 HA GLU 100 HA GLU 100 170.966 -12.461 3.338 750 1HB GLU 100 HB2 GLU 100 172.061 -11.600 5.987 751 2HB GLU 100 HB1 GLU 100 170.664 -12.605 5.635 752 1HG GLU 100 HG2 GLU 100 171.994 -14.502 5.240 753 2HG GLU 100 HG1 GLU 100 173.470 -13.543 5.128 754 H PHE 101 HN PHE 101 169.487 -10.799 3.432 755 HA PHE 101 HA PHE 101 170.531 -8.102 3.917 756 1HB PHE 101 HB2 PHE 101 169.387 -7.237 1.948 757 2HB PHE 101 HB1 PHE 101 170.522 -8.499 1.481 758 HD1 PHE 101 HD1 PHE 101 167.108 -7.407 1.440 759 HD2 PHE 101 HD2 PHE 101 169.637 -10.799 0.982 760 HE1 PHE 101 HE1 PHE 101 165.296 -8.595 0.275 761 HE2 PHE 101 HE2 PHE 101 167.829 -11.993 -0.185 762 HZ PHE 101 HZ PHE 101 165.655 -10.892 -0.539 763 H HIS 102 HN HIS 102 169.121 -6.669 4.835 764 HA HIS 102 HA HIS 102 166.353 -7.509 5.231 765 1HB HIS 102 HB2 HIS 102 166.818 -6.452 7.680 766 2HB HIS 102 HB1 HIS 102 166.865 -8.173 7.330 767 HD1 HIS 102 HD1 HIS 102 168.539 -6.286 9.465 768 HD2 HIS 102 HD2 HIS 102 169.944 -8.331 6.134 769 HE1 HIS 102 HE1 HIS 102 170.990 -6.656 9.885 770 HE2 HIS 102 HE2 HIS 102 171.801 -7.960 7.890 771 H VAL 103 HN VAL 103 164.976 -5.928 4.906 772 HA VAL 103 HA VAL 103 166.013 -3.168 4.837 773 HB VAL 103 HB VAL 103 165.416 -3.886 2.625 774 1HG1 VAL 103 HG11 VAL 103 163.019 -4.498 2.130 775 2HG1 VAL 103 HG12 VAL 103 162.802 -4.689 3.870 776 3HG1 VAL 103 HG13 VAL 103 163.959 -5.705 3.009 777 1HG2 VAL 103 HG21 VAL 103 164.713 -1.804 2.302 778 2HG2 VAL 103 HG22 VAL 103 164.092 -1.706 3.947 779 3HG2 VAL 103 HG23 VAL 103 163.072 -2.340 2.657 780 H ILE 104 HN ILE 104 165.002 -1.577 5.902 781 HA ILE 104 HA ILE 104 162.635 -2.306 7.492 782 HB ILE 104 HB ILE 104 163.486 0.127 8.487 783 1HG1 ILE 104 HG12 ILE 104 165.987 -1.532 8.284 784 2HG1 ILE 104 HG11 ILE 104 165.604 -0.342 7.048 785 1HG2 ILE 104 HG21 ILE 104 162.685 -1.721 9.802 786 2HG2 ILE 104 HG22 ILE 104 164.254 -1.199 10.420 787 3HG2 ILE 104 HG23 ILE 104 164.134 -2.657 9.434 788 1HD1 ILE 104 HD11 ILE 104 166.106 0.142 9.955 789 2HD1 ILE 104 HD12 ILE 104 165.455 1.355 8.853 790 3HD1 ILE 104 HD13 ILE 104 167.057 0.680 8.569 791 H TRP 105 HN TRP 105 160.757 -1.525 6.810 792 HA TRP 105 HA TRP 105 160.767 0.787 5.002 793 1HB TRP 105 HB2 TRP 105 158.619 -1.272 5.524 794 2HB TRP 105 HB1 TRP 105 158.485 0.051 4.377 795 HD1 TRP 105 HD1 TRP 105 160.199 -3.321 4.888 796 HE1 TRP 105 HE1 TRP 105 161.136 -4.135 2.638 797 HE3 TRP 105 HE3 TRP 105 159.404 0.893 2.080 798 HZ2 TRP 105 HZ2 TRP 105 161.495 -3.135 0.028 799 HZ3 TRP 105 HZ3 TRP 105 160.063 0.872 -0.278 800 HH2 TRP 105 HH2 TRP 105 161.097 -1.099 -1.286 801 H LYS 106 HN LYS 106 159.353 2.519 5.265 802 HA LYS 106 HA LYS 106 158.980 3.416 7.909 803 1HB LYS 106 HB2 LYS 106 159.200 4.744 5.688 804 2HB LYS 106 HB1 LYS 106 157.460 4.521 5.567 805 1HG LYS 106 HG2 LYS 106 157.482 5.478 8.008 806 2HG LYS 106 HG1 LYS 106 159.038 6.139 7.504 807 1HD LYS 106 HD2 LYS 106 157.007 6.546 5.483 808 2HD LYS 106 HD1 LYS 106 156.521 7.232 7.034 809 1HE LYS 106 HE2 LYS 106 159.303 7.747 6.189 810 2HE LYS 106 HE1 LYS 106 158.044 8.534 5.239 811 1HZ LYS 106 HZ1 LYS 106 158.648 9.998 6.982 812 2HZ LYS 106 HZ2 LYS 106 158.519 8.786 8.155 813 3HZ LYS 106 HZ3 LYS 106 157.130 9.370 7.387 814 H LYS 107 HN LYS 107 157.056 3.800 9.078 815 HA LYS 107 HA LYS 107 154.586 2.603 8.127 816 1HB LYS 107 HB2 LYS 107 154.308 1.151 10.058 817 2HB LYS 107 HB1 LYS 107 155.773 0.723 9.186 818 1HG LYS 107 HG2 LYS 107 157.123 1.886 10.832 819 2HG LYS 107 HG1 LYS 107 155.666 2.392 11.690 820 1HD LYS 107 HD2 LYS 107 156.092 -0.512 11.181 821 2HD LYS 107 HD1 LYS 107 157.033 0.271 12.452 822 1HE LYS 107 HE2 LYS 107 155.059 -0.640 13.447 823 2HE LYS 107 HE1 LYS 107 154.895 1.115 13.416 824 1HZ LYS 107 HZ1 LYS 107 153.788 -0.492 11.214 825 2HZ LYS 107 HZ2 LYS 107 153.302 1.027 11.779 826 3HZ LYS 107 HZ3 LYS 107 152.932 -0.364 12.668 Start of MODEL 10 1 H MET 1 HT1 MET 1 194.789 -17.744 0.553 2 HA MET 1 HA MET 1 193.646 -15.691 0.448 3 1HB MET 1 HB2 MET 1 195.558 -14.832 -1.151 4 2HB MET 1 HB1 MET 1 194.465 -15.383 -2.414 5 1HG MET 1 HG2 MET 1 192.790 -13.862 -1.773 6 2HG MET 1 HG1 MET 1 193.589 -13.510 -0.242 7 1HE MET 1 HE1 MET 1 194.405 -13.939 -3.811 8 2HE MET 1 HE2 MET 1 195.686 -12.769 -4.130 9 3HE MET 1 HE3 MET 1 193.997 -12.312 -4.355 10 H THR 2 HN THR 2 191.864 -16.973 0.592 11 HA THR 2 HA THR 2 190.970 -18.370 -1.828 12 HB THR 2 HB THR 2 190.607 -18.810 1.090 13 HG1 THR 2 HG1 THR 2 191.942 -20.167 -0.068 14 1HG2 THR 2 HG21 THR 2 188.513 -19.767 -0.854 15 2HG2 THR 2 HG22 THR 2 188.267 -18.548 0.397 16 3HG2 THR 2 HG23 THR 2 188.656 -20.208 0.847 17 H THR 3 HN THR 3 189.724 -16.278 0.770 18 HA THR 3 HA THR 3 188.193 -14.712 -1.046 19 HB THR 3 HB THR 3 186.721 -16.661 -0.992 20 HG1 THR 3 HG1 THR 3 185.867 -14.443 -0.909 21 1HG2 THR 3 HG21 THR 3 186.355 -17.877 0.810 22 2HG2 THR 3 HG22 THR 3 185.675 -16.480 1.644 23 3HG2 THR 3 HG23 THR 3 187.406 -16.805 1.734 24 H GLU 4 HN GLU 4 188.987 -12.898 -0.114 25 HA GLU 4 HA GLU 4 188.379 -12.480 2.740 26 1HB GLU 4 HB2 GLU 4 190.277 -10.829 2.695 27 2HB GLU 4 HB1 GLU 4 190.752 -12.510 2.493 28 1HG GLU 4 HG2 GLU 4 191.329 -12.229 0.291 29 2HG GLU 4 HG1 GLU 4 190.262 -10.842 0.077 30 H ILE 5 HN ILE 5 186.253 -11.778 1.916 31 HA ILE 5 HA ILE 5 186.350 -9.016 0.889 32 HB ILE 5 HB ILE 5 184.035 -10.918 0.591 33 1HG1 ILE 5 HG12 ILE 5 185.885 -11.816 -0.684 34 2HG1 ILE 5 HG11 ILE 5 184.736 -11.079 -1.797 35 1HG2 ILE 5 HG21 ILE 5 183.482 -8.529 0.554 36 2HG2 ILE 5 HG22 ILE 5 183.205 -9.296 -1.011 37 3HG2 ILE 5 HG23 ILE 5 184.634 -8.293 -0.762 38 1HD1 ILE 5 HD11 ILE 5 186.187 -9.052 -1.824 39 2HD1 ILE 5 HD12 ILE 5 186.926 -10.501 -2.506 40 3HD1 ILE 5 HD13 ILE 5 187.371 -9.962 -0.887 41 H LYS 6 HN LYS 6 185.529 -7.474 2.122 42 HA LYS 6 HA LYS 6 183.435 -8.041 4.041 43 1HB LYS 6 HB2 LYS 6 186.238 -7.461 4.785 44 2HB LYS 6 HB1 LYS 6 185.002 -6.598 5.690 45 1HG LYS 6 HG2 LYS 6 184.049 -8.605 6.491 46 2HG LYS 6 HG1 LYS 6 184.978 -9.583 5.352 47 1HD LYS 6 HD2 LYS 6 186.226 -9.891 7.245 48 2HD LYS 6 HD1 LYS 6 187.020 -8.458 6.590 49 1HE LYS 6 HE2 LYS 6 186.698 -7.898 8.818 50 2HE LYS 6 HE1 LYS 6 185.319 -7.144 8.020 51 1HZ LYS 6 HZ1 LYS 6 184.233 -9.455 8.593 52 2HZ LYS 6 HZ2 LYS 6 184.263 -8.191 9.716 53 3HZ LYS 6 HZ3 LYS 6 185.395 -9.443 9.823 54 H LYS 7 HN LYS 7 184.163 -6.329 1.603 55 HA LYS 7 HA LYS 7 182.771 -3.963 2.531 56 1HB LYS 7 HB2 LYS 7 185.602 -3.965 1.575 57 2HB LYS 7 HB1 LYS 7 184.571 -2.595 1.183 58 1HG LYS 7 HG2 LYS 7 184.219 -3.122 3.931 59 2HG LYS 7 HG1 LYS 7 185.958 -3.172 3.608 60 1HD LYS 7 HD2 LYS 7 185.386 -0.919 4.158 61 2HD LYS 7 HD1 LYS 7 185.710 -0.978 2.424 62 1HE LYS 7 HE2 LYS 7 183.749 0.357 2.800 63 2HE LYS 7 HE1 LYS 7 183.268 -1.152 2.026 64 1HZ LYS 7 HZ1 LYS 7 181.784 -0.548 3.844 65 2HZ LYS 7 HZ2 LYS 7 183.076 -0.579 4.934 66 3HZ LYS 7 HZ3 LYS 7 182.581 -2.005 4.170 67 H LEU 8 HN LEU 8 182.071 -2.575 0.746 68 HA LEU 8 HA LEU 8 182.060 -3.881 -1.879 69 1HB LEU 8 HB2 LEU 8 179.765 -3.418 -0.115 70 2HB LEU 8 HB1 LEU 8 179.539 -2.795 -1.738 71 HG LEU 8 HG LEU 8 180.547 -5.577 -1.467 72 1HD1 LEU 8 HD11 LEU 8 178.814 -5.627 0.175 73 2HD1 LEU 8 HD12 LEU 8 178.192 -6.382 -1.293 74 3HD1 LEU 8 HD13 LEU 8 177.716 -4.735 -0.878 75 1HD2 LEU 8 HD21 LEU 8 178.647 -5.625 -3.345 76 2HD2 LEU 8 HD22 LEU 8 180.305 -5.125 -3.674 77 3HD2 LEU 8 HD23 LEU 8 179.055 -3.910 -3.403 78 H ASP 9 HN ASP 9 181.651 -2.445 -3.656 79 HA ASP 9 HA ASP 9 182.785 0.136 -3.279 80 1HB ASP 9 HB2 ASP 9 182.094 -1.578 -5.493 81 2HB ASP 9 HB1 ASP 9 181.545 0.065 -5.809 82 HA PRO 10 HA PRO 10 179.349 2.721 -2.346 83 1HB PRO 10 HB2 PRO 10 180.319 4.508 -4.521 84 2HB PRO 10 HB1 PRO 10 179.992 4.875 -2.819 85 1HG PRO 10 HG2 PRO 10 182.494 4.649 -3.705 86 2HG PRO 10 HG1 PRO 10 182.031 4.028 -2.109 87 1HD PRO 10 HD2 PRO 10 182.529 2.542 -4.653 88 2HD PRO 10 HD1 PRO 10 182.921 2.085 -2.982 89 H ASP 11 HN ASP 11 180.004 2.832 -5.859 90 HA ASP 11 HA ASP 11 177.265 3.164 -6.539 91 1HB ASP 11 HB2 ASP 11 179.482 3.702 -7.877 92 2HB ASP 11 HB1 ASP 11 179.228 2.079 -8.511 93 H THR 12 HN THR 12 179.353 0.390 -6.149 94 HA THR 12 HA THR 12 177.771 -1.501 -7.516 95 HB THR 12 HB THR 12 179.661 -1.919 -5.192 96 HG1 THR 12 HG1 THR 12 181.102 -2.489 -6.937 97 1HG2 THR 12 HG21 THR 12 177.979 -3.804 -6.083 98 2HG2 THR 12 HG22 THR 12 179.607 -4.145 -5.497 99 3HG2 THR 12 HG23 THR 12 179.302 -4.013 -7.229 100 H ALA 13 HN ALA 13 178.087 -1.022 -3.986 101 HA ALA 13 HA ALA 13 175.994 -2.694 -3.239 102 1HB ALA 13 HB1 ALA 13 176.398 -0.300 -1.568 103 2HB ALA 13 HB2 ALA 13 177.834 -1.272 -1.886 104 3HB ALA 13 HB3 ALA 13 176.420 -2.009 -1.133 105 H ILE 14 HN ILE 14 175.950 0.789 -3.933 106 HA ILE 14 HA ILE 14 173.292 1.300 -3.252 107 HB ILE 14 HB ILE 14 175.048 2.602 -5.336 108 1HG1 ILE 14 HG12 ILE 14 174.155 3.627 -2.637 109 2HG1 ILE 14 HG11 ILE 14 175.658 2.744 -2.883 110 1HG2 ILE 14 HG21 ILE 14 173.425 4.477 -5.285 111 2HG2 ILE 14 HG22 ILE 14 172.332 3.460 -4.346 112 3HG2 ILE 14 HG23 ILE 14 172.766 3.001 -5.992 113 1HD1 ILE 14 HD11 ILE 14 176.670 4.488 -3.922 114 2HD1 ILE 14 HD12 ILE 14 175.553 5.381 -2.890 115 3HD1 ILE 14 HD13 ILE 14 175.162 5.113 -4.589 116 H ASP 15 HN ASP 15 174.695 0.052 -6.238 117 HA ASP 15 HA ASP 15 172.387 0.169 -7.834 118 1HB ASP 15 HB2 ASP 15 175.031 -0.759 -8.117 119 2HB ASP 15 HB1 ASP 15 173.999 -2.141 -8.475 120 H ILE 16 HN ILE 16 173.703 -2.473 -5.854 121 HA ILE 16 HA ILE 16 171.750 -4.388 -6.391 122 HB ILE 16 HB ILE 16 173.015 -4.105 -3.675 123 1HG1 ILE 16 HG12 ILE 16 174.896 -3.837 -5.068 124 2HG1 ILE 16 HG11 ILE 16 174.874 -5.555 -4.678 125 1HG2 ILE 16 HG21 ILE 16 171.715 -6.241 -5.234 126 2HG2 ILE 16 HG22 ILE 16 171.737 -5.952 -3.494 127 3HG2 ILE 16 HG23 ILE 16 173.123 -6.707 -4.281 128 1HD1 ILE 16 HD11 ILE 16 173.804 -4.369 -7.228 129 2HD1 ILE 16 HD12 ILE 16 173.968 -6.080 -6.836 130 3HD1 ILE 16 HD13 ILE 16 175.406 -5.079 -7.038 131 H ALA 17 HN ALA 17 171.889 -2.009 -3.754 132 HA ALA 17 HA ALA 17 169.529 -2.685 -2.453 133 1HB ALA 17 HB1 ALA 17 171.406 -0.935 -1.894 134 2HB ALA 17 HB2 ALA 17 169.771 -0.743 -1.261 135 3HB ALA 17 HB3 ALA 17 170.287 0.187 -2.668 136 H TYR 18 HN TYR 18 170.046 -0.652 -5.283 137 HA TYR 18 HA TYR 18 167.482 0.464 -5.468 138 1HB TYR 18 HB2 TYR 18 169.617 1.043 -6.790 139 2HB TYR 18 HB1 TYR 18 169.143 -0.263 -7.872 140 HD1 TYR 18 HD1 TYR 18 168.544 3.160 -6.870 141 HD2 TYR 18 HD2 TYR 18 166.992 -0.094 -9.130 142 HE1 TYR 18 HE1 TYR 18 167.070 4.711 -8.081 143 HE2 TYR 18 HE2 TYR 18 165.514 1.449 -10.347 144 HH TYR 18 HH TYR 18 165.768 4.255 -10.817 145 H ASP 19 HN ASP 19 168.812 -2.345 -7.227 146 HA ASP 19 HA ASP 19 166.518 -3.158 -8.520 147 1HB ASP 19 HB2 ASP 19 168.991 -4.527 -7.601 148 2HB ASP 19 HB1 ASP 19 167.632 -5.555 -8.066 149 H ILE 20 HN ILE 20 167.566 -3.925 -5.226 150 HA ILE 20 HA ILE 20 165.555 -5.780 -4.606 151 HB ILE 20 HB ILE 20 166.902 -3.854 -2.705 152 1HG1 ILE 20 HG12 ILE 20 167.767 -6.692 -3.042 153 2HG1 ILE 20 HG11 ILE 20 168.274 -5.515 -4.257 154 1HG2 ILE 20 HG21 ILE 20 166.428 -5.614 -1.024 155 2HG2 ILE 20 HG22 ILE 20 165.480 -6.470 -2.240 156 3HG2 ILE 20 HG23 ILE 20 164.974 -4.872 -1.692 157 1HD1 ILE 20 HD11 ILE 20 168.710 -4.499 -1.600 158 2HD1 ILE 20 HD12 ILE 20 169.853 -4.729 -2.923 159 3HD1 ILE 20 HD13 ILE 20 169.497 -6.061 -1.823 160 H PHE 21 HN PHE 21 165.701 -2.451 -3.350 161 HA PHE 21 HA PHE 21 163.225 -2.118 -2.360 162 1HB PHE 21 HB2 PHE 21 164.832 -0.345 -2.237 163 2HB PHE 21 HB1 PHE 21 164.860 -0.168 -3.986 164 HD1 PHE 21 HD1 PHE 21 164.040 1.885 -4.569 165 HD2 PHE 21 HD2 PHE 21 162.088 -0.310 -1.495 166 HE1 PHE 21 HE1 PHE 21 162.325 3.641 -4.412 167 HE2 PHE 21 HE2 PHE 21 160.365 1.438 -1.332 168 HZ PHE 21 HZ PHE 21 160.482 3.418 -2.792 169 H LEU 22 HN LEU 22 164.041 -2.197 -5.763 170 HA LEU 22 HA LEU 22 161.566 -1.232 -6.745 171 1HB LEU 22 HB2 LEU 22 164.057 -1.991 -7.798 172 2HB LEU 22 HB1 LEU 22 162.876 -3.035 -8.577 173 HG LEU 22 HG LEU 22 161.695 -1.153 -9.478 174 1HD1 LEU 22 HD11 LEU 22 162.974 1.150 -9.012 175 2HD1 LEU 22 HD12 LEU 22 163.265 0.345 -7.470 176 3HD1 LEU 22 HD13 LEU 22 161.614 0.592 -8.037 177 1HD2 LEU 22 HD21 LEU 22 163.175 -0.732 -11.116 178 2HD2 LEU 22 HD22 LEU 22 164.171 -1.904 -10.250 179 3HD2 LEU 22 HD23 LEU 22 164.418 -0.176 -9.994 180 H GLU 23 HN GLU 23 162.815 -4.504 -6.174 181 HA GLU 23 HA GLU 23 160.244 -5.624 -7.011 182 1HB GLU 23 HB2 GLU 23 161.352 -7.768 -7.033 183 2HB GLU 23 HB1 GLU 23 162.333 -6.602 -7.909 184 1HG GLU 23 HG2 GLU 23 163.845 -6.398 -6.058 185 2HG GLU 23 HG1 GLU 23 162.813 -7.414 -5.053 186 H MET 24 HN MET 24 162.320 -5.359 -4.183 187 HA MET 24 HA MET 24 160.857 -7.117 -2.520 188 1HB MET 24 HB2 MET 24 163.151 -5.424 -2.292 189 2HB MET 24 HB1 MET 24 162.089 -5.113 -0.926 190 1HG MET 24 HG2 MET 24 162.058 -7.807 -0.954 191 2HG MET 24 HG1 MET 24 163.678 -7.494 -1.591 192 1HE MET 24 HE1 MET 24 161.290 -6.085 1.366 193 2HE MET 24 HE2 MET 24 162.160 -6.913 2.657 194 3HE MET 24 HE3 MET 24 161.443 -7.842 1.341 195 H ALA 25 HN ALA 25 160.939 -3.549 -2.580 196 HA ALA 25 HA ALA 25 159.003 -3.011 -0.712 197 1HB ALA 25 HB1 ALA 25 160.396 -1.323 -1.881 198 2HB ALA 25 HB2 ALA 25 158.693 -0.877 -1.771 199 3HB ALA 25 HB3 ALA 25 159.348 -1.488 -3.290 200 H GLY 26 HN GLY 26 157.031 -3.845 -0.523 201 1HA GLY 26 HA2 GLY 26 155.062 -3.464 -2.552 202 2HA GLY 26 HA1 GLY 26 155.549 -5.149 -2.447 203 H GLU 27 HN GLU 27 155.039 -6.349 -0.595 204 HA GLU 27 HA GLU 27 152.760 -5.287 0.879 205 1HB GLU 27 HB2 GLU 27 152.405 -7.599 1.603 206 2HB GLU 27 HB1 GLU 27 152.539 -7.492 -0.147 207 1HG GLU 27 HG2 GLU 27 155.032 -8.048 1.329 208 2HG GLU 27 HG1 GLU 27 153.814 -9.322 1.324 209 H ASN 28 HN ASN 28 155.950 -5.076 1.329 210 HA ASN 28 HA ASN 28 155.885 -5.658 4.203 211 1HB ASN 28 HB2 ASN 28 158.439 -5.030 3.883 212 2HB ASN 28 HB1 ASN 28 157.833 -6.634 3.463 213 1HD2 ASN 28 HD21 ASN 28 158.133 -3.432 1.967 214 2HD2 ASN 28 HD22 ASN 28 158.718 -4.020 0.455 215 H LEU 29 HN LEU 29 155.898 -3.075 1.938 216 HA LEU 29 HA LEU 29 156.548 -1.127 4.034 217 1HB LEU 29 HB2 LEU 29 157.893 -0.790 2.129 218 2HB LEU 29 HB1 LEU 29 156.548 -1.011 1.032 219 HG LEU 29 HG LEU 29 156.408 1.301 2.895 220 1HD1 LEU 29 HD11 LEU 29 157.692 2.459 0.841 221 2HD1 LEU 29 HD12 LEU 29 158.526 0.906 0.877 222 3HD1 LEU 29 HD13 LEU 29 158.499 1.926 2.316 223 1HD2 LEU 29 HD21 LEU 29 155.188 2.273 1.128 224 2HD2 LEU 29 HD22 LEU 29 154.686 0.586 1.142 225 3HD2 LEU 29 HD23 LEU 29 155.847 1.152 -0.057 226 H ASP 30 HN ASP 30 155.132 0.511 4.590 227 HA ASP 30 HA ASP 30 152.438 0.000 4.676 228 1HB ASP 30 HB2 ASP 30 154.086 2.450 5.031 229 2HB ASP 30 HB1 ASP 30 152.343 2.660 4.884 230 HA PRO 31 HA PRO 31 150.824 0.439 0.561 231 1HB PRO 31 HB2 PRO 31 148.521 1.583 2.089 232 2HB PRO 31 HB1 PRO 31 148.527 0.364 0.802 233 1HG PRO 31 HG2 PRO 31 148.241 -0.362 3.344 234 2HG PRO 31 HG1 PRO 31 149.227 -1.328 2.230 235 1HD PRO 31 HD2 PRO 31 150.080 0.504 4.416 236 2HD PRO 31 HD1 PRO 31 150.854 -0.977 3.812 237 H ALA 32 HN ALA 32 150.231 3.115 2.848 238 HA ALA 32 HA ALA 32 149.699 5.116 0.997 239 1HB ALA 32 HB1 ALA 32 151.150 5.455 3.619 240 2HB ALA 32 HB2 ALA 32 149.400 5.336 3.439 241 3HB ALA 32 HB3 ALA 32 150.268 6.698 2.731 242 H ASP 33 HN ASP 33 152.830 4.358 2.517 243 HA ASP 33 HA ASP 33 154.371 6.192 1.121 244 1HB ASP 33 HB2 ASP 33 154.968 3.606 2.498 245 2HB ASP 33 HB1 ASP 33 156.235 4.368 1.538 246 H ILE 34 HN ILE 34 153.035 3.167 0.064 247 HA ILE 34 HA ILE 34 154.766 2.683 -2.124 248 HB ILE 34 HB ILE 34 151.849 1.923 -1.891 249 1HG1 ILE 34 HG12 ILE 34 154.328 0.393 -1.070 250 2HG1 ILE 34 HG11 ILE 34 153.147 1.112 0.027 251 1HG2 ILE 34 HG21 ILE 34 152.527 0.075 -3.425 252 2HG2 ILE 34 HG22 ILE 34 154.077 0.890 -3.630 253 3HG2 ILE 34 HG23 ILE 34 152.588 1.684 -4.144 254 1HD1 ILE 34 HD11 ILE 34 153.005 -1.368 -1.557 255 2HD1 ILE 34 HD12 ILE 34 151.516 -0.434 -1.418 256 3HD1 ILE 34 HD13 ILE 34 152.346 -0.991 0.035 257 H LEU 35 HN LEU 35 151.530 4.164 -1.980 258 HA LEU 35 HA LEU 35 151.245 4.911 -4.616 259 1HB LEU 35 HB2 LEU 35 149.436 5.159 -3.053 260 2HB LEU 35 HB1 LEU 35 150.343 6.326 -2.111 261 HG LEU 35 HG LEU 35 150.174 7.369 -4.734 262 1HD1 LEU 35 HD11 LEU 35 147.825 7.441 -5.182 263 2HD1 LEU 35 HD12 LEU 35 147.465 6.544 -3.707 264 3HD1 LEU 35 HD13 LEU 35 148.307 5.751 -5.039 265 1HD2 LEU 35 HD21 LEU 35 149.263 9.222 -3.672 266 2HD2 LEU 35 HD22 LEU 35 150.199 8.450 -2.392 267 3HD2 LEU 35 HD23 LEU 35 148.448 8.246 -2.450 268 H LEU 36 HN LEU 36 152.764 6.779 -1.993 269 HA LEU 36 HA LEU 36 153.458 9.022 -3.527 270 1HB LEU 36 HB2 LEU 36 154.447 7.831 -0.975 271 2HB LEU 36 HB1 LEU 36 155.391 9.105 -1.724 272 HG LEU 36 HG LEU 36 152.481 9.371 -0.968 273 1HD1 LEU 36 HD11 LEU 36 154.561 10.872 0.485 274 2HD1 LEU 36 HD12 LEU 36 154.465 9.144 0.827 275 3HD1 LEU 36 HD13 LEU 36 153.050 10.171 1.062 276 1HD2 LEU 36 HD21 LEU 36 152.516 11.431 -1.854 277 2HD2 LEU 36 HD22 LEU 36 153.885 10.826 -2.787 278 3HD2 LEU 36 HD23 LEU 36 154.163 11.747 -1.309 279 H PHE 37 HN PHE 37 155.709 6.539 -2.363 280 HA PHE 37 HA PHE 37 157.892 7.102 -3.899 281 1HB PHE 37 HB2 PHE 37 158.305 5.428 -2.369 282 2HB PHE 37 HB1 PHE 37 156.813 4.573 -2.739 283 HD1 PHE 37 HD1 PHE 37 157.333 2.421 -3.354 284 HD2 PHE 37 HD2 PHE 37 159.688 5.624 -4.871 285 HE1 PHE 37 HE1 PHE 37 158.588 0.832 -4.751 286 HE2 PHE 37 HE2 PHE 37 160.947 4.041 -6.272 287 HZ PHE 37 HZ PHE 37 160.397 1.641 -6.213 288 H ASN 38 HN ASN 38 154.955 5.494 -4.926 289 HA ASN 38 HA ASN 38 156.036 4.662 -7.461 290 1HB ASN 38 HB2 ASN 38 153.414 4.474 -6.080 291 2HB ASN 38 HB1 ASN 38 153.387 4.433 -7.840 292 1HD2 ASN 38 HD21 ASN 38 155.554 3.117 -5.355 293 2HD2 ASN 38 HD22 ASN 38 155.504 1.482 -5.940 294 H LEU 39 HN LEU 39 154.042 7.321 -6.274 295 HA LEU 39 HA LEU 39 153.627 8.390 -8.925 296 1HB LEU 39 HB2 LEU 39 152.065 9.715 -7.980 297 2HB LEU 39 HB1 LEU 39 152.125 8.461 -6.756 298 HG LEU 39 HG LEU 39 153.970 10.071 -5.728 299 1HD1 LEU 39 HD11 LEU 39 153.914 12.220 -6.375 300 2HD1 LEU 39 HD12 LEU 39 152.177 12.193 -6.689 301 3HD1 LEU 39 HD13 LEU 39 153.302 11.528 -7.879 302 1HD2 LEU 39 HD21 LEU 39 152.271 10.936 -4.268 303 2HD2 LEU 39 HD22 LEU 39 151.869 9.270 -4.691 304 3HD2 LEU 39 HD23 LEU 39 151.016 10.608 -5.465 305 H GLN 40 HN GLN 40 155.989 8.701 -6.451 306 HA GLN 40 HA GLN 40 157.323 10.762 -8.020 307 1HB GLN 40 HB2 GLN 40 157.887 12.025 -5.927 308 2HB GLN 40 HB1 GLN 40 156.197 12.109 -6.405 309 1HG GLN 40 HG2 GLN 40 155.635 10.422 -4.739 310 2HG GLN 40 HG1 GLN 40 157.331 10.320 -4.267 311 1HE2 GLN 40 HE21 GLN 40 156.303 10.829 -2.149 312 2HE2 GLN 40 HE22 GLN 40 156.112 12.495 -1.734 313 H PHE 41 HN PHE 41 159.239 9.985 -8.472 314 HA PHE 41 HA PHE 41 161.116 9.192 -6.513 315 1HB PHE 41 HB2 PHE 41 159.600 7.141 -6.678 316 2HB PHE 41 HB1 PHE 41 160.245 6.925 -8.307 317 HD1 PHE 41 HD1 PHE 41 162.038 5.521 -8.561 318 HD2 PHE 41 HD2 PHE 41 161.473 7.478 -4.824 319 HE1 PHE 41 HE1 PHE 41 163.964 4.301 -7.635 320 HE2 PHE 41 HE2 PHE 41 163.398 6.262 -3.892 321 HZ PHE 41 HZ PHE 41 164.646 4.672 -5.297 322 H GLU 42 HN GLU 42 160.114 9.012 -9.877 323 HA GLU 42 HA GLU 42 162.713 8.808 -10.999 324 1HB GLU 42 HB2 GLU 42 160.793 8.177 -12.313 325 2HB GLU 42 HB1 GLU 42 160.089 9.779 -12.134 326 1HG GLU 42 HG2 GLU 42 160.977 9.596 -14.333 327 2HG GLU 42 HG1 GLU 42 162.001 10.701 -13.417 328 H GLU 43 HN GLU 43 160.682 11.449 -10.005 329 HA GLU 43 HA GLU 43 162.573 13.428 -11.038 330 1HB GLU 43 HB2 GLU 43 159.921 13.500 -11.138 331 2HB GLU 43 HB1 GLU 43 160.118 14.221 -9.547 332 1HG GLU 43 HG2 GLU 43 160.777 16.165 -10.397 333 2HG GLU 43 HG1 GLU 43 161.900 15.390 -11.514 334 H ARG 44 HN ARG 44 161.582 11.938 -8.068 335 HA ARG 44 HA ARG 44 163.455 13.688 -6.622 336 1HB ARG 44 HB2 ARG 44 160.651 12.939 -5.905 337 2HB ARG 44 HB1 ARG 44 161.824 13.181 -4.617 338 1HG ARG 44 HG2 ARG 44 160.899 15.269 -4.790 339 2HG ARG 44 HG1 ARG 44 162.299 15.425 -5.853 340 1HD ARG 44 HD2 ARG 44 160.774 16.224 -7.308 341 2HD ARG 44 HD1 ARG 44 160.468 14.513 -7.606 342 HE ARG 44 HE ARG 44 158.851 15.346 -5.479 343 1HH1 ARG 44 HH11 ARG 44 159.190 15.867 -8.913 344 2HH1 ARG 44 HH12 ARG 44 157.509 16.203 -9.155 345 1HH2 ARG 44 HH21 ARG 44 156.637 15.788 -5.797 346 2HH2 ARG 44 HH22 ARG 44 156.061 16.159 -7.387 347 H GLY 45 HN GLY 45 164.206 11.259 -7.722 348 1HA GLY 45 HA2 GLY 45 164.173 9.361 -5.476 349 2HA GLY 45 HA1 GLY 45 164.615 8.977 -7.135 350 H GLY 46 HN GLY 46 165.869 9.138 -4.177 351 1HA GLY 46 HA2 GLY 46 168.556 9.579 -5.226 352 2HA GLY 46 HA1 GLY 46 168.045 10.630 -3.914 353 H VAL 47 HN VAL 47 169.591 7.780 -4.665 354 HA VAL 47 HA VAL 47 169.060 6.619 -2.012 355 HB VAL 47 HB VAL 47 170.354 5.271 -4.387 356 1HG1 VAL 47 HG11 VAL 47 171.063 4.175 -2.433 357 2HG1 VAL 47 HG12 VAL 47 169.718 3.209 -3.040 358 3HG1 VAL 47 HG13 VAL 47 169.473 4.307 -1.682 359 1HG2 VAL 47 HG21 VAL 47 168.228 5.427 -5.187 360 2HG2 VAL 47 HG22 VAL 47 167.514 5.559 -3.579 361 3HG2 VAL 47 HG23 VAL 47 168.037 3.988 -4.185 362 H GLU 48 HN GLU 48 170.558 7.046 -0.528 363 HA GLU 48 HA GLU 48 173.321 7.527 -1.428 364 1HB GLU 48 HB2 GLU 48 173.604 8.818 0.659 365 2HB GLU 48 HB1 GLU 48 172.345 9.478 -0.377 366 1HG GLU 48 HG2 GLU 48 170.690 8.995 1.087 367 2HG GLU 48 HG1 GLU 48 171.492 7.544 1.687 368 H PHE 49 HN PHE 49 175.023 6.938 0.134 369 HA PHE 49 HA PHE 49 174.414 4.338 1.362 370 1HB PHE 49 HB2 PHE 49 176.144 4.352 -0.410 371 2HB PHE 49 HB1 PHE 49 177.092 5.488 0.544 372 HD1 PHE 49 HD1 PHE 49 176.178 2.036 0.040 373 HD2 PHE 49 HD2 PHE 49 178.062 4.760 2.711 374 HE1 PHE 49 HE1 PHE 49 177.261 0.151 1.191 375 HE2 PHE 49 HE2 PHE 49 179.149 2.880 3.868 376 HZ PHE 49 HZ PHE 49 178.750 0.572 3.108 377 H VAL 50 HN VAL 50 174.244 4.291 3.498 378 HA VAL 50 HA VAL 50 175.621 6.369 5.063 379 HB VAL 50 HB VAL 50 173.929 5.555 6.884 380 1HG1 VAL 50 HG11 VAL 50 172.327 7.247 6.134 381 2HG1 VAL 50 HG12 VAL 50 173.078 7.248 4.539 382 3HG1 VAL 50 HG13 VAL 50 173.991 7.798 5.944 383 1HG2 VAL 50 HG21 VAL 50 172.058 5.096 4.646 384 2HG2 VAL 50 HG22 VAL 50 172.090 4.393 6.263 385 3HG2 VAL 50 HG23 VAL 50 173.173 3.782 5.014 386 H GLU 51 HN GLU 51 175.864 5.548 7.474 387 HA GLU 51 HA GLU 51 177.432 3.075 7.315 388 1HB GLU 51 HB2 GLU 51 178.696 3.903 9.188 389 2HB GLU 51 HB1 GLU 51 178.601 5.171 7.974 390 1HG GLU 51 HG2 GLU 51 177.629 6.571 9.387 391 2HG GLU 51 HG1 GLU 51 176.426 5.371 9.857 392 H THR 52 HN THR 52 177.310 1.552 9.025 393 HA THR 52 HA THR 52 174.674 1.030 9.907 394 HB THR 52 HB THR 52 177.233 -0.227 10.898 395 HG1 THR 52 HG1 THR 52 177.221 -0.414 8.692 396 1HG2 THR 52 HG21 THR 52 175.091 -0.792 12.105 397 2HG2 THR 52 HG22 THR 52 175.991 -2.145 11.423 398 3HG2 THR 52 HG23 THR 52 174.551 -1.539 10.601 399 H ALA 53 HN ALA 53 173.901 0.813 12.066 400 HA ALA 53 HA ALA 53 174.689 3.000 13.775 401 1HB ALA 53 HB1 ALA 53 172.794 1.155 14.967 402 2HB ALA 53 HB2 ALA 53 172.327 1.590 13.320 403 3HB ALA 53 HB3 ALA 53 172.588 2.852 14.523 404 H ASP 54 HN ASP 54 173.999 1.586 16.273 405 HA ASP 54 HA ASP 54 176.619 0.441 16.775 406 1HB ASP 54 HB2 ASP 54 174.885 2.009 18.286 407 2HB ASP 54 HB1 ASP 54 174.757 0.415 19.022 408 H ASP 55 HN ASP 55 173.180 -0.484 17.050 409 HA ASP 55 HA ASP 55 173.820 -3.214 16.422 410 1HB ASP 55 HB2 ASP 55 172.843 -4.150 18.519 411 2HB ASP 55 HB1 ASP 55 174.366 -3.302 18.772 412 H TRP 56 HN TRP 56 171.424 -0.932 17.644 413 HA TRP 56 HA TRP 56 169.104 -1.081 17.594 414 1HB TRP 56 HB2 TRP 56 168.383 -0.330 15.346 415 2HB TRP 56 HB1 TRP 56 169.743 0.578 16.002 416 HD1 TRP 56 HD1 TRP 56 172.246 -0.742 15.029 417 HE1 TRP 56 HE1 TRP 56 172.759 -1.097 12.530 418 HE3 TRP 56 HE3 TRP 56 167.495 -0.534 13.196 419 HZ2 TRP 56 HZ2 TRP 56 171.323 -1.272 10.101 420 HZ3 TRP 56 HZ3 TRP 56 167.136 -0.807 10.780 421 HH2 TRP 56 HH2 TRP 56 169.008 -1.171 9.264 422 H GLU 57 HN GLU 57 167.735 -2.643 17.889 423 HA GLU 57 HA GLU 57 167.285 -4.624 15.776 424 1HB GLU 57 HB2 GLU 57 167.116 -6.396 17.536 425 2HB GLU 57 HB1 GLU 57 168.745 -5.777 17.311 426 1HG GLU 57 HG2 GLU 57 168.864 -4.972 19.391 427 2HG GLU 57 HG1 GLU 57 167.205 -4.377 19.363 428 H GLU 58 HN GLU 58 165.977 -2.169 17.089 429 HA GLU 58 HA GLU 58 163.521 -3.367 18.117 430 1HB GLU 58 HB2 GLU 58 164.494 -0.511 18.030 431 2HB GLU 58 HB1 GLU 58 162.909 -0.983 18.626 432 1HG GLU 58 HG2 GLU 58 165.134 -2.449 19.833 433 2HG GLU 58 HG1 GLU 58 165.143 -0.715 20.149 434 H GLU 59 HN GLU 59 164.757 -1.726 15.299 435 HA GLU 59 HA GLU 59 162.069 -1.301 14.256 436 1HB GLU 59 HB2 GLU 59 163.662 -0.610 12.180 437 2HB GLU 59 HB1 GLU 59 163.173 0.498 13.451 438 1HG GLU 59 HG2 GLU 59 165.682 -1.105 13.705 439 2HG GLU 59 HG1 GLU 59 165.647 0.382 12.759 440 H ILE 60 HN ILE 60 165.045 -2.748 12.823 441 HA ILE 60 HA ILE 60 163.627 -4.316 10.970 442 HB ILE 60 HB ILE 60 165.751 -5.551 10.703 443 1HG1 ILE 60 HG12 ILE 60 166.645 -3.861 13.054 444 2HG1 ILE 60 HG11 ILE 60 166.449 -5.614 13.041 445 1HG2 ILE 60 HG21 ILE 60 165.642 -2.582 10.680 446 2HG2 ILE 60 HG22 ILE 60 165.803 -3.718 9.342 447 3HG2 ILE 60 HG23 ILE 60 167.192 -3.360 10.365 448 1HD1 ILE 60 HD11 ILE 60 168.496 -5.907 12.279 449 2HD1 ILE 60 HD12 ILE 60 168.762 -4.179 12.542 450 3HD1 ILE 60 HD13 ILE 60 168.242 -4.761 10.959 451 H GLY 61 HN GLY 61 164.949 -4.994 14.180 452 1HA GLY 61 HA2 GLY 61 163.394 -6.514 15.484 453 2HA GLY 61 HA1 GLY 61 163.598 -7.613 14.129 454 H VAL 62 HN VAL 62 166.069 -7.980 13.601 455 HA VAL 62 HA VAL 62 167.187 -9.124 15.977 456 HB VAL 62 HB VAL 62 169.082 -9.691 14.232 457 1HG1 VAL 62 HG11 VAL 62 166.336 -10.901 14.392 458 2HG1 VAL 62 HG12 VAL 62 167.815 -11.420 15.201 459 3HG1 VAL 62 HG13 VAL 62 167.642 -11.634 13.459 460 1HG2 VAL 62 HG21 VAL 62 168.508 -9.662 11.984 461 2HG2 VAL 62 HG22 VAL 62 167.936 -8.097 12.563 462 3HG2 VAL 62 HG23 VAL 62 166.794 -9.419 12.321 463 H LEU 63 HN LEU 63 169.739 -9.073 15.955 464 HA LEU 63 HA LEU 63 170.457 -6.404 16.721 465 1HB LEU 63 HB2 LEU 63 172.682 -7.480 17.233 466 2HB LEU 63 HB1 LEU 63 171.299 -8.083 18.119 467 HG LEU 63 HG LEU 63 173.097 -9.724 17.149 468 1HD1 LEU 63 HD11 LEU 63 170.481 -10.833 16.524 469 2HD1 LEU 63 HD12 LEU 63 170.529 -9.984 18.069 470 3HD1 LEU 63 HD13 LEU 63 171.655 -11.304 17.753 471 1HD2 LEU 63 HD21 LEU 63 172.538 -10.628 14.976 472 2HD2 LEU 63 HD22 LEU 63 172.927 -8.914 14.833 473 3HD2 LEU 63 HD23 LEU 63 171.246 -9.444 14.785 474 H ILE 64 HN ILE 64 172.647 -5.531 16.040 475 HA ILE 64 HA ILE 64 173.160 -6.036 13.190 476 HB ILE 64 HB ILE 64 172.818 -3.318 14.454 477 1HG1 ILE 64 HG12 ILE 64 170.741 -4.655 13.941 478 2HG1 ILE 64 HG11 ILE 64 170.852 -3.107 13.114 479 1HG2 ILE 64 HG21 ILE 64 174.154 -4.159 12.006 480 2HG2 ILE 64 HG22 ILE 64 174.240 -2.633 12.888 481 3HG2 ILE 64 HG23 ILE 64 172.920 -2.923 11.755 482 1HD1 ILE 64 HD11 ILE 64 170.544 -4.141 11.189 483 2HD1 ILE 64 HD12 ILE 64 170.523 -5.701 12.013 484 3HD1 ILE 64 HD13 ILE 64 172.047 -5.030 11.436 485 H ASP 65 HN ASP 65 175.240 -5.718 12.493 486 HA ASP 65 HA ASP 65 177.240 -5.117 14.569 487 1HB ASP 65 HB2 ASP 65 177.418 -7.135 12.323 488 2HB ASP 65 HB1 ASP 65 178.752 -6.702 13.387 489 HA PRO 66 HA PRO 66 177.967 -1.860 11.509 490 1HB PRO 66 HB2 PRO 66 179.844 -0.543 13.000 491 2HB PRO 66 HB1 PRO 66 178.099 -0.317 13.191 492 1HG PRO 66 HG2 PRO 66 179.978 -2.010 14.793 493 2HG PRO 66 HG1 PRO 66 178.653 -0.972 15.351 494 1HD PRO 66 HD2 PRO 66 178.383 -3.643 15.163 495 2HD PRO 66 HD1 PRO 66 177.033 -2.540 14.818 496 H GLU 67 HN GLU 67 179.650 -1.365 10.098 497 HA GLU 67 HA GLU 67 181.586 -1.646 8.935 498 1HB GLU 67 HB2 GLU 67 182.378 -2.092 11.636 499 2HB GLU 67 HB1 GLU 67 183.178 -3.294 10.633 500 1HG GLU 67 HG2 GLU 67 184.273 -1.667 9.358 501 2HG GLU 67 HG1 GLU 67 183.208 -0.383 9.928 502 H GLU 68 HN GLU 68 179.573 -4.075 9.923 503 HA GLU 68 HA GLU 68 180.954 -6.117 8.333 504 1HB GLU 68 HB2 GLU 68 178.881 -6.287 10.510 505 2HB GLU 68 HB1 GLU 68 179.207 -7.647 9.437 506 1HG GLU 68 HG2 GLU 68 181.474 -7.773 10.181 507 2HG GLU 68 HG1 GLU 68 181.297 -6.280 11.111 508 H TYR 69 HN TYR 69 178.318 -3.954 8.339 509 HA TYR 69 HA TYR 69 177.305 -5.186 5.878 510 1HB TYR 69 HB2 TYR 69 175.479 -4.079 8.018 511 2HB TYR 69 HB1 TYR 69 175.005 -4.896 6.524 512 HD1 TYR 69 HD1 TYR 69 175.871 -5.295 9.983 513 HD2 TYR 69 HD2 TYR 69 175.580 -7.354 6.272 514 HE1 TYR 69 HE1 TYR 69 175.829 -7.440 11.183 515 HE2 TYR 69 HE2 TYR 69 175.541 -9.502 7.460 516 HH TYR 69 HH TYR 69 176.323 -9.798 10.758 517 H ALA 70 HN ALA 70 176.461 -3.761 4.364 518 HA ALA 70 HA ALA 70 177.278 -0.983 4.739 519 1HB ALA 70 HB1 ALA 70 177.926 -1.186 2.624 520 2HB ALA 70 HB2 ALA 70 176.237 -1.353 2.145 521 3HB ALA 70 HB3 ALA 70 177.193 -2.786 2.520 522 H GLU 71 HN GLU 71 175.892 0.726 4.770 523 HA GLU 71 HA GLU 71 173.019 0.050 4.797 524 1HB GLU 71 HB2 GLU 71 174.334 2.486 6.006 525 2HB GLU 71 HB1 GLU 71 172.671 1.968 6.219 526 1HG GLU 71 HG2 GLU 71 174.701 0.003 7.029 527 2HG GLU 71 HG1 GLU 71 174.670 1.491 7.961 528 H VAL 72 HN VAL 72 171.689 0.891 3.379 529 HA VAL 72 HA VAL 72 172.498 3.256 1.844 530 HB VAL 72 HB VAL 72 172.975 1.228 0.481 531 1HG1 VAL 72 HG11 VAL 72 170.812 0.134 1.568 532 2HG1 VAL 72 HG12 VAL 72 171.490 -0.397 0.029 533 3HG1 VAL 72 HG13 VAL 72 170.110 0.703 0.054 534 1HG2 VAL 72 HG21 VAL 72 171.967 2.024 -1.531 535 2HG2 VAL 72 HG22 VAL 72 172.306 3.425 -0.515 536 3HG2 VAL 72 HG23 VAL 72 170.662 2.799 -0.634 537 H TRP 73 HN TRP 73 171.015 4.702 2.503 538 HA TRP 73 HA TRP 73 168.308 3.835 3.073 539 1HB TRP 73 HB2 TRP 73 169.914 6.287 3.606 540 2HB TRP 73 HB1 TRP 73 168.160 6.446 3.548 541 HD1 TRP 73 HD1 TRP 73 169.657 3.240 4.950 542 HE1 TRP 73 HE1 TRP 73 169.172 3.130 7.475 543 HE3 TRP 73 HE3 TRP 73 167.820 7.964 5.635 544 HZ2 TRP 73 HZ2 TRP 73 168.145 4.815 9.486 545 HZ3 TRP 73 HZ3 TRP 73 167.110 8.635 7.894 546 HH2 TRP 73 HH2 TRP 73 167.273 7.093 9.780 547 H VAL 74 HN VAL 74 166.512 4.351 1.956 548 HA VAL 74 HA VAL 74 166.875 5.832 -0.563 549 HB VAL 74 HB VAL 74 164.955 3.547 -0.096 550 1HG1 VAL 74 HG11 VAL 74 164.918 5.598 -1.986 551 2HG1 VAL 74 HG12 VAL 74 163.995 4.095 -2.026 552 3HG1 VAL 74 HG13 VAL 74 165.555 4.194 -2.843 553 1HG2 VAL 74 HG21 VAL 74 166.788 2.270 -0.318 554 2HG2 VAL 74 HG22 VAL 74 167.757 3.599 -0.954 555 3HG2 VAL 74 HG23 VAL 74 166.683 2.699 -2.025 556 H GLY 75 HN GLY 75 165.898 7.719 -0.392 557 1HA GLY 75 HA2 GLY 75 163.277 7.818 0.975 558 2HA GLY 75 HA1 GLY 75 164.469 9.098 1.131 559 H LEU 76 HN LEU 76 163.841 10.831 0.085 560 HA LEU 76 HA LEU 76 163.042 10.605 -2.708 561 1HB LEU 76 HB2 LEU 76 161.102 10.927 -0.707 562 2HB LEU 76 HB1 LEU 76 161.324 12.531 -1.375 563 HG LEU 76 HG LEU 76 160.625 11.847 -3.527 564 1HD1 LEU 76 HD11 LEU 76 161.102 9.075 -2.513 565 2HD1 LEU 76 HD12 LEU 76 161.686 9.840 -3.990 566 3HD1 LEU 76 HD13 LEU 76 159.995 9.361 -3.854 567 1HD2 LEU 76 HD21 LEU 76 159.016 11.097 -1.206 568 2HD2 LEU 76 HD22 LEU 76 158.521 10.314 -2.706 569 3HD2 LEU 76 HD23 LEU 76 158.597 12.074 -2.613 570 H VAL 77 HN VAL 77 165.380 11.426 -2.328 571 HA VAL 77 HA VAL 77 165.936 14.001 -1.439 572 HB VAL 77 HB VAL 77 167.323 12.590 -3.721 573 1HG1 VAL 77 HG11 VAL 77 169.300 13.849 -2.579 574 2HG1 VAL 77 HG12 VAL 77 168.022 14.885 -1.945 575 3HG1 VAL 77 HG13 VAL 77 168.230 14.709 -3.686 576 1HG2 VAL 77 HG21 VAL 77 168.883 11.896 -1.770 577 2HG2 VAL 77 HG22 VAL 77 167.392 10.994 -2.042 578 3HG2 VAL 77 HG23 VAL 77 167.471 12.200 -0.758 579 H ASN 78 HN ASN 78 166.498 15.907 -2.683 580 HA ASN 78 HA ASN 78 164.676 16.291 -4.960 581 1HB ASN 78 HB2 ASN 78 165.268 18.821 -4.275 582 2HB ASN 78 HB1 ASN 78 163.946 17.924 -3.542 583 1HD2 ASN 78 HD21 ASN 78 164.095 19.250 -1.708 584 2HD2 ASN 78 HD22 ASN 78 165.344 19.026 -0.535 585 H GLU 79 HN GLU 79 165.678 18.565 -6.078 586 HA GLU 79 HA GLU 79 167.776 17.590 -7.678 587 1HB GLU 79 HB2 GLU 79 167.873 19.896 -8.586 588 2HB GLU 79 HB1 GLU 79 166.240 19.248 -8.535 589 1HG GLU 79 HG2 GLU 79 167.088 20.799 -6.179 590 2HG GLU 79 HG1 GLU 79 166.903 21.701 -7.682 591 H GLN 80 HN GLN 80 167.730 19.521 -4.779 592 HA GLN 80 HA GLN 80 170.406 20.453 -4.916 593 1HB GLN 80 HB2 GLN 80 170.081 20.863 -2.442 594 2HB GLN 80 HB1 GLN 80 168.912 21.640 -3.506 595 1HG GLN 80 HG2 GLN 80 167.276 19.925 -3.009 596 2HG GLN 80 HG1 GLN 80 168.451 19.070 -2.010 597 1HE2 GLN 80 HE21 GLN 80 169.578 20.953 -0.511 598 2HE2 GLN 80 HE22 GLN 80 168.410 21.757 0.476 599 H ASP 81 HN ASP 81 169.142 17.374 -4.339 600 HA ASP 81 HA ASP 81 170.182 15.392 -3.898 601 1HB ASP 81 HB2 ASP 81 172.279 16.917 -4.727 602 2HB ASP 81 HB1 ASP 81 172.786 16.522 -3.088 603 H GLU 82 HN GLU 82 168.825 16.990 -1.923 604 HA GLU 82 HA GLU 82 170.203 16.083 0.520 605 1HB GLU 82 HB2 GLU 82 168.653 18.544 -0.097 606 2HB GLU 82 HB1 GLU 82 168.458 17.858 1.510 607 1HG GLU 82 HG2 GLU 82 171.241 17.996 0.758 608 2HG GLU 82 HG1 GLU 82 170.461 19.573 0.647 609 H MET 83 HN MET 83 169.181 14.614 1.764 610 HA MET 83 HA MET 83 166.457 13.856 0.982 611 1HB MET 83 HB2 MET 83 168.463 12.207 1.025 612 2HB MET 83 HB1 MET 83 168.235 12.224 2.769 613 1HG MET 83 HG2 MET 83 165.817 11.606 2.304 614 2HG MET 83 HG1 MET 83 166.334 11.276 0.652 615 1HE MET 83 HE1 MET 83 168.335 8.089 0.819 616 2HE MET 83 HE2 MET 83 168.820 9.742 0.443 617 3HE MET 83 HE3 MET 83 167.271 9.126 -0.132 618 H ASP 84 HN ASP 84 164.821 14.376 2.252 619 HA ASP 84 HA ASP 84 165.380 15.019 5.074 620 1HB ASP 84 HB2 ASP 84 162.933 15.984 3.616 621 2HB ASP 84 HB1 ASP 84 163.705 16.655 5.048 622 H ASP 85 HN ASP 85 163.644 12.967 2.943 623 HA ASP 85 HA ASP 85 162.278 11.764 5.248 624 1HB ASP 85 HB2 ASP 85 161.033 13.014 2.997 625 2HB ASP 85 HB1 ASP 85 160.707 11.278 2.923 626 H VAL 86 HN VAL 86 162.521 9.621 5.425 627 HA VAL 86 HA VAL 86 163.921 8.236 3.247 628 HB VAL 86 HB VAL 86 165.258 7.385 4.811 629 1HG1 VAL 86 HG11 VAL 86 164.857 9.423 6.075 630 2HG1 VAL 86 HG12 VAL 86 165.115 8.052 7.154 631 3HG1 VAL 86 HG13 VAL 86 163.484 8.666 6.883 632 1HG2 VAL 86 HG21 VAL 86 162.801 6.292 6.177 633 2HG2 VAL 86 HG22 VAL 86 164.464 5.784 6.474 634 3HG2 VAL 86 HG23 VAL 86 163.722 5.496 4.900 635 H PHE 87 HN PHE 87 163.196 6.283 2.443 636 HA PHE 87 HA PHE 87 160.395 5.653 3.075 637 1HB PHE 87 HB2 PHE 87 161.989 5.608 0.571 638 2HB PHE 87 HB1 PHE 87 160.793 4.332 0.766 639 HD1 PHE 87 HD1 PHE 87 158.645 5.731 2.179 640 HD2 PHE 87 HD2 PHE 87 161.112 7.021 -1.037 641 HE1 PHE 87 HE1 PHE 87 156.880 7.273 1.450 642 HE2 PHE 87 HE2 PHE 87 159.346 8.568 -1.774 643 HZ PHE 87 HZ PHE 87 157.228 8.700 -0.531 644 H ALA 88 HN ALA 88 163.612 4.420 3.061 645 HA ALA 88 HA ALA 88 162.956 2.194 4.643 646 1HB ALA 88 HB1 ALA 88 162.164 0.828 3.046 647 2HB ALA 88 HB2 ALA 88 163.864 0.602 2.636 648 3HB ALA 88 HB3 ALA 88 162.888 1.768 1.741 649 H LYS 89 HN LYS 89 164.890 0.542 4.638 650 HA LYS 89 HA LYS 89 167.432 1.842 4.054 651 1HB LYS 89 HB2 LYS 89 167.188 0.513 6.710 652 2HB LYS 89 HB1 LYS 89 168.238 1.828 6.214 653 1HG LYS 89 HG2 LYS 89 166.725 3.425 6.754 654 2HG LYS 89 HG1 LYS 89 165.341 2.416 6.340 655 1HD LYS 89 HD2 LYS 89 165.886 1.052 8.401 656 2HD LYS 89 HD1 LYS 89 167.009 2.336 8.842 657 1HE LYS 89 HE2 LYS 89 164.637 2.410 9.822 658 2HE LYS 89 HE1 LYS 89 165.300 3.894 9.141 659 1HZ LYS 89 HZ1 LYS 89 162.908 3.116 8.533 660 2HZ LYS 89 HZ2 LYS 89 163.708 2.128 7.419 661 3HZ LYS 89 HZ3 LYS 89 163.902 3.806 7.349 662 H PHE 90 HN PHE 90 169.010 0.341 3.481 663 HA PHE 90 HA PHE 90 168.205 -2.483 3.716 664 1HB PHE 90 HB2 PHE 90 169.548 -1.200 1.332 665 2HB PHE 90 HB1 PHE 90 169.147 -2.903 1.493 666 HD1 PHE 90 HD1 PHE 90 167.329 -3.573 0.290 667 HD2 PHE 90 HD2 PHE 90 167.365 0.360 1.918 668 HE1 PHE 90 HE1 PHE 90 165.111 -3.152 -0.687 669 HE2 PHE 90 HE2 PHE 90 165.146 0.786 0.955 670 HZ PHE 90 HZ PHE 90 164.014 -0.971 -0.349 671 H LEU 91 HN LEU 91 169.643 -3.852 4.475 672 HA LEU 91 HA LEU 91 172.433 -2.956 4.754 673 1HB LEU 91 HB2 LEU 91 171.416 -5.128 6.495 674 2HB LEU 91 HB1 LEU 91 172.575 -3.864 6.845 675 HG LEU 91 HG LEU 91 169.658 -3.203 6.573 676 1HD1 LEU 91 HD11 LEU 91 169.918 -5.079 8.182 677 2HD1 LEU 91 HD12 LEU 91 169.328 -3.588 8.912 678 3HD1 LEU 91 HD13 LEU 91 171.014 -4.068 9.122 679 1HD2 LEU 91 HD21 LEU 91 171.705 -1.974 8.378 680 2HD2 LEU 91 HD22 LEU 91 170.206 -1.280 7.762 681 3HD2 LEU 91 HD23 LEU 91 171.583 -1.504 6.684 682 H ILE 92 HN ILE 92 173.956 -4.209 3.783 683 HA ILE 92 HA ILE 92 173.134 -6.909 2.942 684 HB ILE 92 HB ILE 92 174.849 -6.212 0.940 685 1HG1 ILE 92 HG12 ILE 92 174.742 -3.832 1.869 686 2HG1 ILE 92 HG11 ILE 92 174.444 -4.036 0.145 687 1HG2 ILE 92 HG21 ILE 92 172.791 -7.404 0.626 688 2HG2 ILE 92 HG22 ILE 92 172.827 -6.019 -0.467 689 3HG2 ILE 92 HG23 ILE 92 171.851 -5.959 1.001 690 1HD1 ILE 92 HD11 ILE 92 171.999 -4.212 1.643 691 2HD1 ILE 92 HD12 ILE 92 172.436 -3.134 0.318 692 3HD1 ILE 92 HD13 ILE 92 172.849 -2.705 1.978 693 H SER 93 HN SER 93 174.527 -8.480 3.273 694 HA SER 93 HA SER 93 176.873 -8.099 4.800 695 1HB SER 93 HB2 SER 93 177.138 -10.441 4.724 696 2HB SER 93 HB1 SER 93 175.394 -10.211 4.595 697 HG SER 93 HG SER 93 175.455 -10.752 2.503 698 H HIS 94 HN HIS 94 178.919 -7.704 4.207 699 HA HIS 94 HA HIS 94 179.486 -7.157 1.446 700 1HB HIS 94 HB2 HIS 94 181.297 -7.096 3.869 701 2HB HIS 94 HB1 HIS 94 181.739 -6.523 2.261 702 HD1 HIS 94 HD1 HIS 94 180.591 -4.330 1.432 703 HD2 HIS 94 HD2 HIS 94 179.727 -5.346 5.366 704 HE1 HIS 94 HE1 HIS 94 179.594 -2.263 2.459 705 HE2 HIS 94 HE2 HIS 94 179.185 -2.871 4.867 706 H ARG 95 HN ARG 95 179.819 -9.901 3.470 707 HA ARG 95 HA ARG 95 182.060 -11.116 2.229 708 1HB ARG 95 HB2 ARG 95 181.073 -13.240 3.212 709 2HB ARG 95 HB1 ARG 95 181.449 -11.954 4.351 710 1HG ARG 95 HG2 ARG 95 178.729 -11.787 3.349 711 2HG ARG 95 HG1 ARG 95 179.067 -13.321 4.153 712 1HD ARG 95 HD2 ARG 95 179.344 -10.542 5.275 713 2HD ARG 95 HD1 ARG 95 178.259 -11.821 5.810 714 HE ARG 95 HE ARG 95 180.121 -12.958 6.757 715 1HH1 ARG 95 HH11 ARG 95 180.909 -9.773 5.540 716 2HH1 ARG 95 HH12 ARG 95 182.346 -9.636 6.493 717 1HH2 ARG 95 HH21 ARG 95 182.012 -12.767 8.002 718 2HH2 ARG 95 HH22 ARG 95 182.973 -11.330 7.886 719 H GLU 96 HN GLU 96 181.866 -13.246 1.056 720 HA GLU 96 HA GLU 96 180.184 -12.838 -1.267 721 1HB GLU 96 HB2 GLU 96 182.716 -13.735 -1.004 722 2HB GLU 96 HB1 GLU 96 181.859 -15.270 -1.056 723 1HG GLU 96 HG2 GLU 96 182.506 -14.765 -3.270 724 2HG GLU 96 HG1 GLU 96 180.768 -14.486 -3.169 725 H GLU 97 HN GLU 97 180.928 -15.785 0.606 726 HA GLU 97 HA GLU 97 178.595 -17.150 -0.175 727 1HB GLU 97 HB2 GLU 97 180.686 -17.528 1.904 728 2HB GLU 97 HB1 GLU 97 179.169 -18.385 2.141 729 1HG GLU 97 HG2 GLU 97 179.426 -19.616 0.166 730 2HG GLU 97 HG1 GLU 97 180.681 -18.537 -0.443 731 H ASP 98 HN ASP 98 176.616 -17.464 0.833 732 HA ASP 98 HA ASP 98 174.761 -16.839 1.992 733 1HB ASP 98 HB2 ASP 98 176.722 -17.363 3.865 734 2HB ASP 98 HB1 ASP 98 176.156 -15.763 4.334 735 H ARG 99 HN ARG 99 173.630 -15.098 1.347 736 HA ARG 99 HA ARG 99 174.863 -12.450 1.686 737 1HB ARG 99 HB2 ARG 99 173.733 -13.694 -0.600 738 2HB ARG 99 HB1 ARG 99 172.605 -12.433 -0.109 739 1HG ARG 99 HG2 ARG 99 175.472 -12.150 -0.964 740 2HG ARG 99 HG1 ARG 99 174.027 -11.428 -1.669 741 1HD ARG 99 HD2 ARG 99 173.952 -10.483 0.901 742 2HD ARG 99 HD1 ARG 99 175.684 -10.514 0.559 743 HE ARG 99 HE ARG 99 175.358 -8.678 -0.735 744 1HH1 ARG 99 HH11 ARG 99 172.364 -10.469 -0.651 745 2HH1 ARG 99 HH12 ARG 99 171.507 -9.325 -1.628 746 1HH2 ARG 99 HH21 ARG 99 174.234 -7.173 -2.020 747 2HH2 ARG 99 HH22 ARG 99 172.569 -7.452 -2.404 748 H GLU 100 HN GLU 100 174.104 -12.092 3.771 749 HA GLU 100 HA GLU 100 171.246 -12.282 4.276 750 1HB GLU 100 HB2 GLU 100 173.424 -12.677 5.886 751 2HB GLU 100 HB1 GLU 100 172.951 -11.045 6.335 752 1HG GLU 100 HG2 GLU 100 171.978 -12.858 7.743 753 2HG GLU 100 HG1 GLU 100 170.800 -11.761 7.026 754 H PHE 101 HN PHE 101 169.885 -10.641 4.116 755 HA PHE 101 HA PHE 101 170.832 -7.911 4.434 756 1HB PHE 101 HB2 PHE 101 169.981 -7.121 2.343 757 2HB PHE 101 HB1 PHE 101 171.013 -8.501 1.990 758 HD1 PHE 101 HD1 PHE 101 167.723 -7.097 1.713 759 HD2 PHE 101 HD2 PHE 101 169.944 -10.721 1.505 760 HE1 PHE 101 HE1 PHE 101 165.874 -8.154 0.481 761 HE2 PHE 101 HE2 PHE 101 168.099 -11.786 0.273 762 HZ PHE 101 HZ PHE 101 166.061 -10.501 -0.241 763 H HIS 102 HN HIS 102 169.321 -6.555 5.289 764 HA HIS 102 HA HIS 102 166.564 -7.524 5.450 765 1HB HIS 102 HB2 HIS 102 166.888 -6.263 7.887 766 2HB HIS 102 HB1 HIS 102 166.809 -7.996 7.625 767 HD1 HIS 102 HD1 HIS 102 168.396 -6.422 9.909 768 HD2 HIS 102 HD2 HIS 102 170.053 -8.191 6.532 769 HE1 HIS 102 HE1 HIS 102 170.790 -6.907 10.499 770 HE2 HIS 102 HE2 HIS 102 171.749 -8.032 8.465 771 H VAL 103 HN VAL 103 165.043 -6.010 5.160 772 HA VAL 103 HA VAL 103 165.991 -3.238 4.851 773 HB VAL 103 HB VAL 103 165.242 -4.348 2.757 774 1HG1 VAL 103 HG11 VAL 103 162.508 -4.231 4.029 775 2HG1 VAL 103 HG12 VAL 103 163.437 -5.704 3.739 776 3HG1 VAL 103 HG13 VAL 103 162.878 -4.732 2.378 777 1HG2 VAL 103 HG21 VAL 103 163.750 -1.931 3.750 778 2HG2 VAL 103 HG22 VAL 103 163.713 -2.468 2.073 779 3HG2 VAL 103 HG23 VAL 103 165.239 -1.976 2.808 780 H ILE 104 HN ILE 104 164.788 -1.525 5.522 781 HA ILE 104 HA ILE 104 162.620 -2.115 7.439 782 HB ILE 104 HB ILE 104 164.420 0.313 7.345 783 1HG1 ILE 104 HG12 ILE 104 165.105 -0.746 9.651 784 2HG1 ILE 104 HG11 ILE 104 164.557 -2.240 8.893 785 1HG2 ILE 104 HG21 ILE 104 162.354 0.953 8.286 786 2HG2 ILE 104 HG22 ILE 104 163.455 0.693 9.639 787 3HG2 ILE 104 HG23 ILE 104 162.247 -0.527 9.239 788 1HD1 ILE 104 HD11 ILE 104 166.970 -0.681 8.456 789 2HD1 ILE 104 HD12 ILE 104 166.154 -1.158 6.968 790 3HD1 ILE 104 HD13 ILE 104 166.643 -2.384 8.136 791 H TRP 105 HN TRP 105 160.658 -1.060 7.201 792 HA TRP 105 HA TRP 105 160.478 0.866 4.979 793 1HB TRP 105 HB2 TRP 105 158.293 -1.075 5.745 794 2HB TRP 105 HB1 TRP 105 158.312 0.016 4.366 795 HD1 TRP 105 HD1 TRP 105 159.335 -3.436 5.408 796 HE1 TRP 105 HE1 TRP 105 160.506 -4.624 3.449 797 HE3 TRP 105 HE3 TRP 105 159.971 0.566 2.282 798 HZ2 TRP 105 HZ2 TRP 105 161.554 -3.955 0.916 799 HZ3 TRP 105 HZ3 TRP 105 161.052 0.210 0.118 800 HH2 TRP 105 HH2 TRP 105 161.837 -2.010 -0.555 801 H LYS 106 HN LYS 106 159.061 2.585 5.188 802 HA LYS 106 HA LYS 106 158.763 3.616 7.801 803 1HB LYS 106 HB2 LYS 106 158.010 4.471 5.057 804 2HB LYS 106 HB1 LYS 106 157.176 5.245 6.398 805 1HG LYS 106 HG2 LYS 106 159.867 5.286 7.111 806 2HG LYS 106 HG1 LYS 106 159.840 5.676 5.391 807 1HD LYS 106 HD2 LYS 106 159.405 7.770 6.062 808 2HD LYS 106 HD1 LYS 106 157.768 7.182 6.359 809 1HE LYS 106 HE2 LYS 106 158.001 7.316 8.585 810 2HE LYS 106 HE1 LYS 106 159.632 6.647 8.548 811 1HZ LYS 106 HZ1 LYS 106 160.082 9.042 7.509 812 2HZ LYS 106 HZ2 LYS 106 160.153 8.735 9.171 813 3HZ LYS 106 HZ3 LYS 106 158.762 9.422 8.497 814 H LYS 107 HN LYS 107 156.955 3.925 9.071 815 HA LYS 107 HA LYS 107 154.735 2.101 8.517 816 1HB LYS 107 HB2 LYS 107 155.566 3.534 11.044 817 2HB LYS 107 HB1 LYS 107 154.149 2.502 10.914 818 1HG LYS 107 HG2 LYS 107 155.426 0.571 10.667 819 2HG LYS 107 HG1 LYS 107 156.875 1.475 10.222 820 1HD LYS 107 HD2 LYS 107 155.779 2.096 12.881 821 2HD LYS 107 HD1 LYS 107 156.401 0.455 12.690 822 1HE LYS 107 HE2 LYS 107 158.390 1.371 13.173 823 2HE LYS 107 HE1 LYS 107 158.359 1.931 11.501 824 1HZ LYS 107 HZ1 LYS 107 157.988 3.429 13.968 825 2HZ LYS 107 HZ2 LYS 107 157.008 3.883 12.667 826 3HZ LYS 107 HZ3 LYS 107 158.691 3.907 12.505 Start of MODEL 11 1 H MET 1 HT1 MET 1 193.607 -10.930 8.982 2 HA MET 1 HA MET 1 194.348 -11.804 11.194 3 1HB MET 1 HB2 MET 1 195.288 -9.130 11.306 4 2HB MET 1 HB1 MET 1 193.994 -9.265 12.488 5 1HG MET 1 HG2 MET 1 195.519 -10.079 13.873 6 2HG MET 1 HG1 MET 1 195.467 -11.551 12.906 7 1HE MET 1 HE1 MET 1 197.536 -7.993 11.716 8 2HE MET 1 HE2 MET 1 198.536 -8.280 13.140 9 3HE MET 1 HE3 MET 1 196.787 -8.130 13.306 10 H THR 2 HN THR 2 192.346 -9.029 10.253 11 HA THR 2 HA THR 2 190.144 -9.911 11.916 12 HB THR 2 HB THR 2 190.788 -7.437 11.354 13 HG1 THR 2 HG1 THR 2 188.913 -7.605 12.384 14 1HG2 THR 2 HG21 THR 2 190.418 -6.536 9.364 15 2HG2 THR 2 HG22 THR 2 188.919 -7.432 9.118 16 3HG2 THR 2 HG23 THR 2 190.470 -8.189 8.753 17 H THR 3 HN THR 3 190.479 -12.039 10.558 18 HA THR 3 HA THR 3 189.527 -13.566 9.169 19 HB THR 3 HB THR 3 187.227 -13.433 8.813 20 HG1 THR 3 HG1 THR 3 187.395 -10.605 8.798 21 1HG2 THR 3 HG21 THR 3 186.215 -11.975 10.654 22 2HG2 THR 3 HG22 THR 3 187.881 -11.624 11.108 23 3HG2 THR 3 HG23 THR 3 187.290 -13.286 11.132 24 H GLU 4 HN GLU 4 188.144 -13.481 6.851 25 HA GLU 4 HA GLU 4 189.504 -11.601 5.074 26 1HB GLU 4 HB2 GLU 4 190.111 -13.467 3.530 27 2HB GLU 4 HB1 GLU 4 190.998 -13.480 5.048 28 1HG GLU 4 HG2 GLU 4 190.253 -15.502 5.566 29 2HG GLU 4 HG1 GLU 4 188.582 -15.051 5.228 30 H ILE 5 HN ILE 5 187.637 -10.611 4.460 31 HA ILE 5 HA ILE 5 185.684 -12.286 3.020 32 HB ILE 5 HB ILE 5 184.832 -9.751 4.377 33 1HG1 ILE 5 HG12 ILE 5 184.235 -12.260 5.820 34 2HG1 ILE 5 HG11 ILE 5 185.914 -11.737 5.904 35 1HG2 ILE 5 HG21 ILE 5 182.701 -11.292 4.483 36 2HG2 ILE 5 HG22 ILE 5 183.532 -12.137 3.177 37 3HG2 ILE 5 HG23 ILE 5 183.136 -10.427 3.009 38 1HD1 ILE 5 HD11 ILE 5 184.744 -10.863 7.783 39 2HD1 ILE 5 HD12 ILE 5 183.485 -10.187 6.750 40 3HD1 ILE 5 HD13 ILE 5 185.119 -9.526 6.696 41 H LYS 6 HN LYS 6 184.383 -11.008 1.427 42 HA LYS 6 HA LYS 6 186.182 -9.285 -0.075 43 1HB LYS 6 HB2 LYS 6 184.354 -11.234 -0.807 44 2HB LYS 6 HB1 LYS 6 183.542 -9.735 -1.236 45 1HG LYS 6 HG2 LYS 6 184.965 -9.288 -2.919 46 2HG LYS 6 HG1 LYS 6 186.363 -9.923 -2.049 47 1HD LYS 6 HD2 LYS 6 185.938 -12.110 -2.709 48 2HD LYS 6 HD1 LYS 6 184.243 -11.777 -3.066 49 1HE LYS 6 HE2 LYS 6 185.065 -11.864 -5.192 50 2HE LYS 6 HE1 LYS 6 185.310 -10.151 -4.855 51 1HZ LYS 6 HZ1 LYS 6 187.221 -11.753 -5.762 52 2HZ LYS 6 HZ2 LYS 6 187.487 -11.920 -4.100 53 3HZ LYS 6 HZ3 LYS 6 187.534 -10.387 -4.814 54 H LYS 7 HN LYS 7 184.793 -7.526 -1.400 55 HA LYS 7 HA LYS 7 183.103 -6.067 0.506 56 1HB LYS 7 HB2 LYS 7 185.631 -5.132 -0.787 57 2HB LYS 7 HB1 LYS 7 184.347 -3.968 -0.486 58 1HG LYS 7 HG2 LYS 7 184.843 -5.598 1.845 59 2HG LYS 7 HG1 LYS 7 186.318 -4.794 1.290 60 1HD LYS 7 HD2 LYS 7 184.506 -2.776 1.099 61 2HD LYS 7 HD1 LYS 7 183.880 -3.668 2.487 62 1HE LYS 7 HE2 LYS 7 185.859 -3.379 3.707 63 2HE LYS 7 HE1 LYS 7 186.781 -2.931 2.272 64 1HZ LYS 7 HZ1 LYS 7 185.084 -1.301 3.967 65 2HZ LYS 7 HZ2 LYS 7 184.931 -1.014 2.308 66 3HZ LYS 7 HZ3 LYS 7 186.441 -0.868 3.054 67 H LEU 8 HN LEU 8 182.088 -4.101 -0.621 68 HA LEU 8 HA LEU 8 181.338 -4.829 -3.374 69 1HB LEU 8 HB2 LEU 8 179.707 -4.520 -1.020 70 2HB LEU 8 HB1 LEU 8 179.233 -3.346 -2.234 71 HG LEU 8 HG LEU 8 179.509 -6.264 -2.887 72 1HD1 LEU 8 HD11 LEU 8 176.986 -4.876 -2.003 73 2HD1 LEU 8 HD12 LEU 8 177.933 -5.968 -0.992 74 3HD1 LEU 8 HD13 LEU 8 177.168 -6.568 -2.463 75 1HD2 LEU 8 HD21 LEU 8 179.427 -4.902 -4.822 76 2HD2 LEU 8 HD22 LEU 8 178.130 -3.909 -4.156 77 3HD2 LEU 8 HD23 LEU 8 177.811 -5.580 -4.625 78 H ASP 9 HN ASP 9 180.585 -3.028 -4.706 79 HA ASP 9 HA ASP 9 182.114 -0.604 -4.115 80 1HB ASP 9 HB2 ASP 9 181.271 -2.006 -6.567 81 2HB ASP 9 HB1 ASP 9 181.168 -0.250 -6.651 82 HA PRO 10 HA PRO 10 178.663 1.982 -3.254 83 1HB PRO 10 HB2 PRO 10 179.169 4.172 -4.864 84 2HB PRO 10 HB1 PRO 10 179.934 3.878 -3.294 85 1HG PRO 10 HG2 PRO 10 180.973 3.334 -6.046 86 2HG PRO 10 HG1 PRO 10 181.828 3.974 -4.629 87 1HD PRO 10 HD2 PRO 10 182.093 1.415 -5.391 88 2HD PRO 10 HD1 PRO 10 182.075 1.875 -3.676 89 H ASP 11 HN ASP 11 179.448 2.103 -6.734 90 HA ASP 11 HA ASP 11 176.804 2.644 -7.572 91 1HB ASP 11 HB2 ASP 11 177.645 1.955 -9.831 92 2HB ASP 11 HB1 ASP 11 178.636 3.176 -9.037 93 H THR 12 HN THR 12 178.521 -0.311 -6.874 94 HA THR 12 HA THR 12 176.744 -2.084 -8.197 95 HB THR 12 HB THR 12 178.472 -2.717 -5.803 96 HG1 THR 12 HG1 THR 12 179.194 -2.733 -8.545 97 1HG2 THR 12 HG21 THR 12 177.028 -4.546 -6.401 98 2HG2 THR 12 HG22 THR 12 178.687 -4.917 -6.870 99 3HG2 THR 12 HG23 THR 12 177.517 -4.419 -8.091 100 H ALA 13 HN ALA 13 177.015 -1.053 -4.799 101 HA ALA 13 HA ALA 13 174.865 -2.582 -3.829 102 1HB ALA 13 HB1 ALA 13 176.068 -1.826 -2.069 103 2HB ALA 13 HB2 ALA 13 174.876 -0.527 -2.108 104 3HB ALA 13 HB3 ALA 13 176.457 -0.295 -2.852 105 H ILE 14 HN ILE 14 175.006 0.782 -4.968 106 HA ILE 14 HA ILE 14 172.310 1.414 -4.490 107 HB ILE 14 HB ILE 14 174.220 2.542 -6.541 108 1HG1 ILE 14 HG12 ILE 14 173.363 3.881 -3.996 109 2HG1 ILE 14 HG11 ILE 14 174.655 2.685 -3.971 110 1HG2 ILE 14 HG21 ILE 14 172.707 4.486 -6.608 111 2HG2 ILE 14 HG22 ILE 14 171.560 3.603 -5.599 112 3HG2 ILE 14 HG23 ILE 14 171.950 3.013 -7.216 113 1HD1 ILE 14 HD11 ILE 14 174.761 4.972 -5.886 114 2HD1 ILE 14 HD12 ILE 14 176.078 4.010 -5.213 115 3HD1 ILE 14 HD13 ILE 14 175.239 5.186 -4.202 116 H ASP 15 HN ASP 15 173.939 0.054 -7.313 117 HA ASP 15 HA ASP 15 171.746 0.116 -9.074 118 1HB ASP 15 HB2 ASP 15 174.373 -1.237 -8.976 119 2HB ASP 15 HB1 ASP 15 173.151 -2.022 -9.973 120 H ILE 16 HN ILE 16 172.996 -2.546 -7.054 121 HA ILE 16 HA ILE 16 170.849 -4.301 -7.703 122 HB ILE 16 HB ILE 16 171.667 -5.633 -5.728 123 1HG1 ILE 16 HG12 ILE 16 174.214 -4.530 -5.366 124 2HG1 ILE 16 HG11 ILE 16 173.111 -3.157 -5.262 125 1HG2 ILE 16 HG21 ILE 16 173.269 -6.611 -7.004 126 2HG2 ILE 16 HG22 ILE 16 174.047 -5.079 -7.402 127 3HG2 ILE 16 HG23 ILE 16 172.563 -5.556 -8.228 128 1HD1 ILE 16 HD11 ILE 16 172.543 -3.733 -3.209 129 2HD1 ILE 16 HD12 ILE 16 173.729 -5.036 -3.279 130 3HD1 ILE 16 HD13 ILE 16 172.057 -5.339 -3.752 131 H ALA 17 HN ALA 17 171.502 -2.077 -5.039 132 HA ALA 17 HA ALA 17 169.373 -2.840 -3.372 133 1HB ALA 17 HB1 ALA 17 171.229 -1.412 -2.630 134 2HB ALA 17 HB2 ALA 17 169.659 -0.687 -2.286 135 3HB ALA 17 HB3 ALA 17 170.620 -0.106 -3.647 136 H TYR 18 HN TYR 18 169.576 -0.504 -6.018 137 HA TYR 18 HA TYR 18 167.017 0.616 -5.742 138 1HB TYR 18 HB2 TYR 18 168.952 1.409 -7.224 139 2HB TYR 18 HB1 TYR 18 168.409 0.204 -8.386 140 HD1 TYR 18 HD1 TYR 18 167.956 3.526 -7.154 141 HD2 TYR 18 HD2 TYR 18 165.994 0.365 -9.219 142 HE1 TYR 18 HE1 TYR 18 166.317 5.130 -8.041 143 HE2 TYR 18 HE2 TYR 18 164.350 1.961 -10.113 144 HH TYR 18 HH TYR 18 164.768 5.200 -10.156 145 H ASP 19 HN ASP 19 168.170 -2.141 -7.653 146 HA ASP 19 HA ASP 19 165.715 -2.786 -8.859 147 1HB ASP 19 HB2 ASP 19 168.269 -4.241 -8.335 148 2HB ASP 19 HB1 ASP 19 166.853 -5.193 -8.793 149 H ILE 20 HN ILE 20 167.097 -3.565 -5.737 150 HA ILE 20 HA ILE 20 165.224 -5.559 -4.991 151 HB ILE 20 HB ILE 20 166.954 -3.746 -3.301 152 1HG1 ILE 20 HG12 ILE 20 167.313 -6.701 -3.730 153 2HG1 ILE 20 HG11 ILE 20 167.950 -5.536 -4.894 154 1HG2 ILE 20 HG21 ILE 20 166.507 -5.298 -1.450 155 2HG2 ILE 20 HG22 ILE 20 165.334 -6.145 -2.459 156 3HG2 ILE 20 HG23 ILE 20 165.049 -4.469 -1.993 157 1HD1 ILE 20 HD11 ILE 20 169.107 -6.426 -2.476 158 2HD1 ILE 20 HD12 ILE 20 168.725 -4.713 -2.289 159 3HD1 ILE 20 HD13 ILE 20 169.737 -5.250 -3.630 160 H PHE 21 HN PHE 21 165.389 -2.049 -4.362 161 HA PHE 21 HA PHE 21 163.196 -1.759 -2.727 162 1HB PHE 21 HB2 PHE 21 164.740 0.058 -3.222 163 2HB PHE 21 HB1 PHE 21 164.215 0.084 -4.900 164 HD1 PHE 21 HD1 PHE 21 162.277 -0.036 -1.714 165 HD2 PHE 21 HD2 PHE 21 163.193 2.101 -5.278 166 HE1 PHE 21 HE1 PHE 21 160.570 1.644 -1.143 167 HE2 PHE 21 HE2 PHE 21 161.489 3.782 -4.713 168 HZ PHE 21 HZ PHE 21 160.175 3.554 -2.644 169 H LEU 22 HN LEU 22 163.231 -1.428 -6.284 170 HA LEU 22 HA LEU 22 160.415 -1.233 -6.502 171 1HB LEU 22 HB2 LEU 22 162.609 -1.796 -8.471 172 2HB LEU 22 HB1 LEU 22 160.922 -1.836 -8.955 173 HG LEU 22 HG LEU 22 162.143 0.313 -9.421 174 1HD1 LEU 22 HD11 LEU 22 159.828 0.433 -9.524 175 2HD1 LEU 22 HD12 LEU 22 160.260 1.716 -8.393 176 3HD1 LEU 22 HD13 LEU 22 159.641 0.178 -7.791 177 1HD2 LEU 22 HD21 LEU 22 161.912 0.702 -6.441 178 2HD2 LEU 22 HD22 LEU 22 162.560 1.843 -7.620 179 3HD2 LEU 22 HD23 LEU 22 163.417 0.337 -7.286 180 H GLU 23 HN GLU 23 162.401 -3.917 -5.881 181 HA GLU 23 HA GLU 23 160.580 -5.808 -7.135 182 1HB GLU 23 HB2 GLU 23 162.634 -6.681 -7.500 183 2HB GLU 23 HB1 GLU 23 163.342 -5.869 -6.114 184 1HG GLU 23 HG2 GLU 23 163.439 -8.278 -5.871 185 2HG GLU 23 HG1 GLU 23 162.416 -7.555 -4.632 186 H MET 24 HN MET 24 162.004 -5.466 -3.861 187 HA MET 24 HA MET 24 160.029 -7.186 -2.725 188 1HB MET 24 HB2 MET 24 161.088 -6.320 -0.538 189 2HB MET 24 HB1 MET 24 162.054 -7.310 -1.622 190 1HG MET 24 HG2 MET 24 163.368 -5.550 -2.291 191 2HG MET 24 HG1 MET 24 162.164 -4.339 -1.840 192 1HE MET 24 HE1 MET 24 161.952 -6.247 1.373 193 2HE MET 24 HE2 MET 24 163.625 -6.609 1.797 194 3HE MET 24 HE3 MET 24 162.912 -7.312 0.345 195 H ALA 25 HN ALA 25 160.485 -3.672 -2.799 196 HA ALA 25 HA ALA 25 158.718 -2.845 -0.875 197 1HB ALA 25 HB1 ALA 25 158.401 -0.808 -2.138 198 2HB ALA 25 HB2 ALA 25 158.982 -1.595 -3.605 199 3HB ALA 25 HB3 ALA 25 160.082 -1.328 -2.253 200 H GLY 26 HN GLY 26 156.743 -3.603 -0.465 201 1HA GLY 26 HA2 GLY 26 154.581 -3.174 -2.216 202 2HA GLY 26 HA1 GLY 26 155.058 -4.861 -2.317 203 H GLU 27 HN GLU 27 154.702 -6.231 -0.569 204 HA GLU 27 HA GLU 27 152.544 -5.423 1.155 205 1HB GLU 27 HB2 GLU 27 154.032 -8.019 0.799 206 2HB GLU 27 HB1 GLU 27 152.759 -7.810 1.993 207 1HG GLU 27 HG2 GLU 27 151.412 -6.958 -0.109 208 2HG GLU 27 HG1 GLU 27 152.587 -7.957 -0.964 209 H ASN 28 HN ASN 28 155.817 -5.024 1.407 210 HA ASN 28 HA ASN 28 155.926 -5.514 4.286 211 1HB ASN 28 HB2 ASN 28 158.076 -4.703 2.314 212 2HB ASN 28 HB1 ASN 28 158.344 -4.953 4.046 213 1HD2 ASN 28 HD21 ASN 28 157.001 -6.597 1.204 214 2HD2 ASN 28 HD22 ASN 28 157.584 -8.167 1.626 215 H LEU 29 HN LEU 29 155.778 -2.933 1.966 216 HA LEU 29 HA LEU 29 156.297 -0.898 3.991 217 1HB LEU 29 HB2 LEU 29 157.177 -0.877 1.572 218 2HB LEU 29 HB1 LEU 29 155.548 -0.419 1.118 219 HG LEU 29 HG LEU 29 157.074 1.183 3.153 220 1HD1 LEU 29 HD11 LEU 29 158.067 0.769 0.632 221 2HD1 LEU 29 HD12 LEU 29 158.369 2.192 1.629 222 3HD1 LEU 29 HD13 LEU 29 157.087 2.219 0.418 223 1HD2 LEU 29 HD21 LEU 29 155.257 2.445 3.100 224 2HD2 LEU 29 HD22 LEU 29 154.502 1.272 2.028 225 3HD2 LEU 29 HD23 LEU 29 155.391 2.631 1.350 226 H ASP 30 HN ASP 30 154.749 0.881 4.323 227 HA ASP 30 HA ASP 30 152.064 -0.128 4.562 228 1HB ASP 30 HB2 ASP 30 153.588 1.649 6.008 229 2HB ASP 30 HB1 ASP 30 152.466 2.712 5.163 230 HA PRO 31 HA PRO 31 150.056 1.372 0.952 231 1HB PRO 31 HB2 PRO 31 148.131 2.664 2.836 232 2HB PRO 31 HB1 PRO 31 147.817 1.612 1.445 233 1HG PRO 31 HG2 PRO 31 147.637 0.663 3.923 234 2HG PRO 31 HG1 PRO 31 148.338 -0.320 2.623 235 1HD PRO 31 HD2 PRO 31 149.692 1.118 4.858 236 2HD PRO 31 HD1 PRO 31 150.125 -0.417 4.069 237 H ALA 32 HN ALA 32 150.045 3.800 3.587 238 HA ALA 32 HA ALA 32 149.707 6.078 2.096 239 1HB ALA 32 HB1 ALA 32 150.643 7.300 3.916 240 2HB ALA 32 HB2 ALA 32 151.535 5.887 4.480 241 3HB ALA 32 HB3 ALA 32 149.775 5.918 4.586 242 H ASP 33 HN ASP 33 152.897 4.937 3.218 243 HA ASP 33 HA ASP 33 154.360 6.689 1.597 244 1HB ASP 33 HB2 ASP 33 154.948 4.459 3.359 245 2HB ASP 33 HB1 ASP 33 156.023 4.472 1.962 246 H ILE 34 HN ILE 34 152.773 3.719 0.847 247 HA ILE 34 HA ILE 34 154.288 3.060 -1.479 248 HB ILE 34 HB ILE 34 151.652 2.174 -0.368 249 1HG1 ILE 34 HG12 ILE 34 154.057 0.609 -1.316 250 2HG1 ILE 34 HG11 ILE 34 153.845 1.189 0.337 251 1HG2 ILE 34 HG21 ILE 34 151.089 2.366 -2.677 252 2HG2 ILE 34 HG22 ILE 34 151.390 0.660 -2.345 253 3HG2 ILE 34 HG23 ILE 34 152.613 1.628 -3.170 254 1HD1 ILE 34 HD11 ILE 34 152.202 -0.329 0.802 255 2HD1 ILE 34 HD12 ILE 34 153.189 -1.250 -0.332 256 3HD1 ILE 34 HD13 ILE 34 151.704 -0.474 -0.884 257 H LEU 35 HN LEU 35 151.470 5.043 -0.816 258 HA LEU 35 HA LEU 35 150.729 5.445 -3.524 259 1HB LEU 35 HB2 LEU 35 149.012 6.651 -2.707 260 2HB LEU 35 HB1 LEU 35 149.485 5.899 -1.199 261 HG LEU 35 HG LEU 35 150.907 8.023 -0.821 262 1HD1 LEU 35 HD11 LEU 35 148.993 9.587 -2.353 263 2HD1 LEU 35 HD12 LEU 35 150.051 8.609 -3.371 264 3HD1 LEU 35 HD13 LEU 35 150.744 9.753 -2.220 265 1HD2 LEU 35 HD21 LEU 35 148.591 9.256 -0.298 266 2HD2 LEU 35 HD22 LEU 35 149.216 7.925 0.676 267 3HD2 LEU 35 HD23 LEU 35 147.994 7.617 -0.558 268 H LEU 36 HN LEU 36 152.616 7.423 -1.236 269 HA LEU 36 HA LEU 36 153.117 9.554 -2.986 270 1HB LEU 36 HB2 LEU 36 154.662 8.475 -0.638 271 2HB LEU 36 HB1 LEU 36 155.172 9.905 -1.515 272 HG LEU 36 HG LEU 36 152.376 10.006 -0.646 273 1HD1 LEU 36 HD11 LEU 36 153.041 8.857 1.289 274 2HD1 LEU 36 HD12 LEU 36 153.104 10.564 1.726 275 3HD1 LEU 36 HD13 LEU 36 154.592 9.693 1.355 276 1HD2 LEU 36 HD21 LEU 36 153.421 12.204 0.323 277 2HD2 LEU 36 HD22 LEU 36 153.165 12.022 -1.412 278 3HD2 LEU 36 HD23 LEU 36 154.772 11.777 -0.727 279 H PHE 37 HN PHE 37 155.367 6.971 -2.071 280 HA PHE 37 HA PHE 37 157.445 7.367 -3.747 281 1HB PHE 37 HB2 PHE 37 157.720 5.527 -2.368 282 2HB PHE 37 HB1 PHE 37 156.146 4.854 -2.771 283 HD1 PHE 37 HD1 PHE 37 156.464 2.734 -3.595 284 HD2 PHE 37 HD2 PHE 37 159.038 5.861 -4.902 285 HE1 PHE 37 HE1 PHE 37 157.533 1.187 -5.182 286 HE2 PHE 37 HE2 PHE 37 160.110 4.320 -6.491 287 HZ PHE 37 HZ PHE 37 159.358 1.979 -6.632 288 H ASN 38 HN ASN 38 154.283 6.198 -4.693 289 HA ASN 38 HA ASN 38 155.045 5.396 -7.325 290 1HB ASN 38 HB2 ASN 38 152.333 6.010 -6.139 291 2HB ASN 38 HB1 ASN 38 152.589 5.317 -7.738 292 1HD2 ASN 38 HD21 ASN 38 151.075 3.805 -6.382 293 2HD2 ASN 38 HD22 ASN 38 151.890 2.455 -5.654 294 H LEU 39 HN LEU 39 153.342 8.257 -6.040 295 HA LEU 39 HA LEU 39 153.325 9.517 -8.635 296 1HB LEU 39 HB2 LEU 39 152.503 10.520 -5.915 297 2HB LEU 39 HB1 LEU 39 152.327 11.441 -7.394 298 HG LEU 39 HG LEU 39 150.206 10.564 -7.069 299 1HD1 LEU 39 HD11 LEU 39 149.838 8.919 -8.796 300 2HD1 LEU 39 HD12 LEU 39 151.545 8.478 -8.782 301 3HD1 LEU 39 HD13 LEU 39 151.052 10.080 -9.333 302 1HD2 LEU 39 HD21 LEU 39 150.943 9.060 -5.210 303 2HD2 LEU 39 HD22 LEU 39 151.354 7.857 -6.434 304 3HD2 LEU 39 HD23 LEU 39 149.684 8.395 -6.251 305 H GLN 40 HN GLN 40 155.462 9.472 -5.928 306 HA GLN 40 HA GLN 40 157.048 11.568 -7.223 307 1HB GLN 40 HB2 GLN 40 157.700 12.219 -4.772 308 2HB GLN 40 HB1 GLN 40 156.246 12.873 -5.509 309 1HG GLN 40 HG2 GLN 40 155.020 10.930 -4.400 310 2HG GLN 40 HG1 GLN 40 156.488 10.709 -3.452 311 1HE2 GLN 40 HE21 GLN 40 153.711 12.708 -4.014 312 2HE2 GLN 40 HE22 GLN 40 153.924 13.742 -2.648 313 H PHE 41 HN PHE 41 158.826 10.626 -7.859 314 HA PHE 41 HA PHE 41 160.722 9.557 -6.089 315 1HB PHE 41 HB2 PHE 41 159.060 7.628 -6.214 316 2HB PHE 41 HB1 PHE 41 159.554 7.443 -7.900 317 HD1 PHE 41 HD1 PHE 41 161.038 7.687 -4.486 318 HD2 PHE 41 HD2 PHE 41 161.281 6.004 -8.387 319 HE1 PHE 41 HE1 PHE 41 162.953 6.317 -3.771 320 HE2 PHE 41 HE2 PHE 41 163.195 4.630 -7.680 321 HZ PHE 41 HZ PHE 41 164.036 4.786 -5.369 322 H GLU 42 HN GLU 42 159.550 9.298 -9.432 323 HA GLU 42 HA GLU 42 162.062 9.066 -10.666 324 1HB GLU 42 HB2 GLU 42 160.043 8.540 -11.879 325 2HB GLU 42 HB1 GLU 42 159.441 10.179 -11.674 326 1HG GLU 42 HG2 GLU 42 160.206 9.972 -13.905 327 2HG GLU 42 HG1 GLU 42 161.368 10.976 -13.039 328 H GLU 43 HN GLU 43 160.210 11.811 -9.584 329 HA GLU 43 HA GLU 43 161.952 13.756 -10.819 330 1HB GLU 43 HB2 GLU 43 159.407 13.785 -9.367 331 2HB GLU 43 HB1 GLU 43 160.452 15.143 -8.975 332 1HG GLU 43 HG2 GLU 43 159.857 14.389 -11.812 333 2HG GLU 43 HG1 GLU 43 158.779 15.425 -10.879 334 H ARG 44 HN ARG 44 161.202 12.785 -7.466 335 HA ARG 44 HA ARG 44 163.780 13.968 -6.663 336 1HB ARG 44 HB2 ARG 44 162.590 13.884 -4.313 337 2HB ARG 44 HB1 ARG 44 162.300 15.213 -5.425 338 1HG ARG 44 HG2 ARG 44 160.490 12.887 -5.644 339 2HG ARG 44 HG1 ARG 44 160.345 13.882 -4.194 340 1HD ARG 44 HD2 ARG 44 159.547 15.668 -5.333 341 2HD ARG 44 HD1 ARG 44 160.531 15.334 -6.757 342 HE ARG 44 HE ARG 44 158.471 13.397 -6.428 343 1HH1 ARG 44 HH11 ARG 44 159.084 16.648 -7.536 344 2HH1 ARG 44 HH12 ARG 44 157.746 16.660 -8.635 345 1HH2 ARG 44 HH21 ARG 44 156.711 13.411 -7.873 346 2HH2 ARG 44 HH22 ARG 44 156.398 14.822 -8.826 347 H GLY 45 HN GLY 45 164.060 11.543 -7.658 348 1HA GLY 45 HA2 GLY 45 164.005 9.660 -5.391 349 2HA GLY 45 HA1 GLY 45 164.137 9.203 -7.085 350 H GLY 46 HN GLY 46 165.822 9.264 -4.307 351 1HA GLY 46 HA2 GLY 46 168.352 9.174 -5.747 352 2HA GLY 46 HA1 GLY 46 168.226 10.376 -4.473 353 H VAL 47 HN VAL 47 169.333 7.372 -5.126 354 HA VAL 47 HA VAL 47 168.814 6.351 -2.419 355 HB VAL 47 HB VAL 47 169.975 4.859 -4.777 356 1HG1 VAL 47 HG11 VAL 47 170.630 3.526 -3.075 357 2HG1 VAL 47 HG12 VAL 47 168.957 2.975 -3.150 358 3HG1 VAL 47 HG13 VAL 47 169.434 4.183 -1.957 359 1HG2 VAL 47 HG21 VAL 47 167.176 5.336 -3.906 360 2HG2 VAL 47 HG22 VAL 47 167.592 3.724 -4.490 361 3HG2 VAL 47 HG23 VAL 47 167.839 5.129 -5.527 362 H GLU 48 HN GLU 48 170.317 7.437 -1.205 363 HA GLU 48 HA GLU 48 173.066 7.636 -2.045 364 1HB GLU 48 HB2 GLU 48 173.373 8.621 0.263 365 2HB GLU 48 HB1 GLU 48 172.244 9.471 -0.783 366 1HG GLU 48 HG2 GLU 48 170.377 8.642 0.389 367 2HG GLU 48 HG1 GLU 48 171.349 7.440 1.237 368 H PHE 49 HN PHE 49 174.774 6.430 -1.402 369 HA PHE 49 HA PHE 49 174.192 3.928 -0.055 370 1HB PHE 49 HB2 PHE 49 175.586 3.942 -2.089 371 2HB PHE 49 HB1 PHE 49 176.773 4.947 -1.263 372 HD1 PHE 49 HD1 PHE 49 178.493 3.973 -0.049 373 HD2 PHE 49 HD2 PHE 49 175.082 1.645 -1.077 374 HE1 PHE 49 HE1 PHE 49 179.622 1.955 0.791 375 HE2 PHE 49 HE2 PHE 49 176.204 -0.377 -0.238 376 HZ PHE 49 HZ PHE 49 178.476 -0.223 0.698 377 H VAL 50 HN VAL 50 174.762 3.401 1.965 378 HA VAL 50 HA VAL 50 176.531 5.226 3.447 379 HB VAL 50 HB VAL 50 174.852 4.292 5.413 380 1HG1 VAL 50 HG11 VAL 50 174.620 6.861 3.855 381 2HG1 VAL 50 HG12 VAL 50 175.697 6.557 5.217 382 3HG1 VAL 50 HG13 VAL 50 173.950 6.570 5.460 383 1HG2 VAL 50 HG21 VAL 50 172.598 4.467 4.744 384 2HG2 VAL 50 HG22 VAL 50 173.369 3.418 3.556 385 3HG2 VAL 50 HG23 VAL 50 173.036 5.103 3.159 386 H GLU 51 HN GLU 51 176.635 3.935 5.854 387 HA GLU 51 HA GLU 51 177.525 1.212 5.187 388 1HB GLU 51 HB2 GLU 51 179.065 3.453 6.285 389 2HB GLU 51 HB1 GLU 51 179.208 1.975 7.226 390 1HG GLU 51 HG2 GLU 51 179.599 0.931 4.823 391 2HG GLU 51 HG1 GLU 51 180.132 2.577 4.479 392 H THR 52 HN THR 52 177.932 -0.068 7.287 393 HA THR 52 HA THR 52 175.504 -0.207 8.705 394 HB THR 52 HB THR 52 178.077 -1.376 9.729 395 HG1 THR 52 HG1 THR 52 178.279 -2.441 7.954 396 1HG2 THR 52 HG21 THR 52 176.759 -3.191 10.470 397 2HG2 THR 52 HG22 THR 52 175.346 -2.619 9.581 398 3HG2 THR 52 HG23 THR 52 175.933 -1.719 10.981 399 H ALA 53 HN ALA 53 175.116 0.105 10.957 400 HA ALA 53 HA ALA 53 176.383 2.518 11.968 401 1HB ALA 53 HB1 ALA 53 174.459 2.889 13.080 402 2HB ALA 53 HB2 ALA 53 174.321 1.208 13.601 403 3HB ALA 53 HB3 ALA 53 173.805 1.675 11.978 404 H ASP 54 HN ASP 54 175.945 2.085 14.723 405 HA ASP 54 HA ASP 54 178.220 0.355 15.319 406 1HB ASP 54 HB2 ASP 54 176.919 2.674 16.646 407 2HB ASP 54 HB1 ASP 54 177.649 1.465 17.699 408 H ASP 55 HN ASP 55 175.701 -0.812 14.590 409 HA ASP 55 HA ASP 55 174.628 -2.743 15.202 410 1HB ASP 55 HB2 ASP 55 175.477 -2.342 18.068 411 2HB ASP 55 HB1 ASP 55 174.992 -3.835 17.271 412 H TRP 56 HN TRP 56 172.525 -2.418 15.043 413 HA TRP 56 HA TRP 56 171.148 -1.080 17.252 414 1HB TRP 56 HB2 TRP 56 169.642 -0.029 15.409 415 2HB TRP 56 HB1 TRP 56 171.189 0.726 15.802 416 HD1 TRP 56 HD1 TRP 56 173.284 -0.400 14.059 417 HE1 TRP 56 HE1 TRP 56 173.152 -0.468 11.490 418 HE3 TRP 56 HE3 TRP 56 168.220 -0.036 13.495 419 HZ2 TRP 56 HZ2 TRP 56 171.165 -0.376 9.490 420 HZ3 TRP 56 HZ3 TRP 56 167.279 -0.037 11.220 421 HH2 TRP 56 HH2 TRP 56 168.721 -0.207 9.259 422 H GLU 57 HN GLU 57 171.383 -3.866 16.554 423 HA GLU 57 HA GLU 57 169.159 -4.870 15.183 424 1HB GLU 57 HB2 GLU 57 169.545 -6.938 16.614 425 2HB GLU 57 HB1 GLU 57 170.909 -6.389 15.653 426 1HG GLU 57 HG2 GLU 57 172.060 -5.597 17.506 427 2HG GLU 57 HG1 GLU 57 170.605 -5.532 18.500 428 H GLU 58 HN GLU 58 167.461 -3.418 15.892 429 HA GLU 58 HA GLU 58 165.957 -4.541 18.087 430 1HB GLU 58 HB2 GLU 58 167.489 -2.118 18.400 431 2HB GLU 58 HB1 GLU 58 165.774 -1.785 18.596 432 1HG GLU 58 HG2 GLU 58 165.883 -2.548 20.664 433 2HG GLU 58 HG1 GLU 58 166.307 -4.141 20.038 434 H GLU 59 HN GLU 59 166.205 -2.116 15.530 435 HA GLU 59 HA GLU 59 163.301 -1.884 15.408 436 1HB GLU 59 HB2 GLU 59 163.626 -0.051 13.916 437 2HB GLU 59 HB1 GLU 59 164.777 0.136 15.231 438 1HG GLU 59 HG2 GLU 59 166.505 -0.896 13.751 439 2HG GLU 59 HG1 GLU 59 165.332 -0.824 12.437 440 H ILE 60 HN ILE 60 166.004 -2.849 13.290 441 HA ILE 60 HA ILE 60 164.271 -3.716 11.187 442 HB ILE 60 HB ILE 60 166.494 -4.962 10.488 443 1HG1 ILE 60 HG12 ILE 60 167.543 -2.818 12.352 444 2HG1 ILE 60 HG11 ILE 60 167.617 -4.553 12.670 445 1HG2 ILE 60 HG21 ILE 60 167.240 -2.910 9.369 446 2HG2 ILE 60 HG22 ILE 60 166.168 -1.969 10.407 447 3HG2 ILE 60 HG23 ILE 60 165.493 -3.130 9.265 448 1HD1 ILE 60 HD11 ILE 60 169.216 -4.901 11.039 449 2HD1 ILE 60 HD12 ILE 60 169.685 -3.346 11.730 450 3HD1 ILE 60 HD13 ILE 60 168.825 -3.405 10.191 451 H GLY 61 HN GLY 61 165.700 -5.193 14.003 452 1HA GLY 61 HA2 GLY 61 165.118 -7.193 15.018 453 2HA GLY 61 HA1 GLY 61 164.032 -7.520 13.676 454 H VAL 62 HN VAL 62 167.507 -7.339 14.417 455 HA VAL 62 HA VAL 62 168.174 -9.916 13.736 456 HB VAL 62 HB VAL 62 169.450 -9.066 11.477 457 1HG1 VAL 62 HG11 VAL 62 166.762 -10.254 11.110 458 2HG1 VAL 62 HG12 VAL 62 167.914 -11.112 12.136 459 3HG1 VAL 62 HG13 VAL 62 168.325 -10.748 10.460 460 1HG2 VAL 62 HG21 VAL 62 167.741 -7.034 11.734 461 2HG2 VAL 62 HG22 VAL 62 166.698 -8.160 10.866 462 3HG2 VAL 62 HG23 VAL 62 168.238 -7.668 10.166 463 H LEU 63 HN LEU 63 170.310 -10.320 14.167 464 HA LEU 63 HA LEU 63 171.781 -8.460 15.596 465 1HB LEU 63 HB2 LEU 63 173.596 -9.994 15.552 466 2HB LEU 63 HB1 LEU 63 172.120 -10.932 15.615 467 HG LEU 63 HG LEU 63 173.531 -12.072 14.119 468 1HD1 LEU 63 HD11 LEU 63 172.392 -11.947 11.979 469 2HD1 LEU 63 HD12 LEU 63 171.690 -10.394 12.426 470 3HD1 LEU 63 HD13 LEU 63 171.240 -11.850 13.310 471 1HD2 LEU 63 HD21 LEU 63 175.161 -11.130 12.943 472 2HD2 LEU 63 HD22 LEU 63 174.707 -9.597 13.685 473 3HD2 LEU 63 HD23 LEU 63 174.038 -10.049 12.118 474 H ILE 64 HN ILE 64 173.287 -6.940 15.123 475 HA ILE 64 HA ILE 64 173.768 -6.440 12.262 476 HB ILE 64 HB ILE 64 174.032 -4.417 14.479 477 1HG1 ILE 64 HG12 ILE 64 171.735 -5.043 14.519 478 2HG1 ILE 64 HG11 ILE 64 171.821 -3.551 13.591 479 1HG2 ILE 64 HG21 ILE 64 175.112 -3.400 12.782 480 2HG2 ILE 64 HG22 ILE 64 173.476 -3.031 12.237 481 3HG2 ILE 64 HG23 ILE 64 174.346 -4.404 11.551 482 1HD1 ILE 64 HD11 ILE 64 171.497 -4.690 11.554 483 2HD1 ILE 64 HD12 ILE 64 170.312 -5.344 12.686 484 3HD1 ILE 64 HD13 ILE 64 171.767 -6.263 12.305 485 H ASP 65 HN ASP 65 175.761 -6.428 11.478 486 HA ASP 65 HA ASP 65 178.040 -6.266 13.318 487 1HB ASP 65 HB2 ASP 65 177.694 -8.329 11.131 488 2HB ASP 65 HB1 ASP 65 179.179 -8.067 12.040 489 HA PRO 66 HA PRO 66 178.770 -3.197 10.064 490 1HB PRO 66 HB2 PRO 66 180.886 -2.015 11.335 491 2HB PRO 66 HB1 PRO 66 179.193 -1.618 11.663 492 1HG PRO 66 HG2 PRO 66 181.044 -3.425 13.170 493 2HG PRO 66 HG1 PRO 66 179.875 -2.246 13.793 494 1HD PRO 66 HD2 PRO 66 179.346 -4.884 13.744 495 2HD PRO 66 HD1 PRO 66 178.078 -3.669 13.475 496 H GLU 67 HN GLU 67 180.523 -2.731 8.638 497 HA GLU 67 HA GLU 67 182.363 -3.164 7.388 498 1HB GLU 67 HB2 GLU 67 183.129 -4.212 9.986 499 2HB GLU 67 HB1 GLU 67 183.858 -5.128 8.676 500 1HG GLU 67 HG2 GLU 67 184.009 -2.137 8.970 501 2HG GLU 67 HG1 GLU 67 185.258 -3.267 9.490 502 H GLU 68 HN GLU 68 180.094 -5.476 8.259 503 HA GLU 68 HA GLU 68 181.057 -7.256 6.127 504 1HB GLU 68 HB2 GLU 68 180.171 -9.148 7.228 505 2HB GLU 68 HB1 GLU 68 181.037 -8.233 8.459 506 1HG GLU 68 HG2 GLU 68 179.186 -7.822 9.646 507 2HG GLU 68 HG1 GLU 68 178.181 -7.607 8.211 508 H TYR 69 HN TYR 69 178.768 -5.001 6.895 509 HA TYR 69 HA TYR 69 176.977 -6.031 4.805 510 1HB TYR 69 HB2 TYR 69 176.015 -4.615 7.307 511 2HB TYR 69 HB1 TYR 69 175.003 -5.198 5.982 512 HD1 TYR 69 HD1 TYR 69 176.209 -5.906 9.195 513 HD2 TYR 69 HD2 TYR 69 175.192 -7.821 5.528 514 HE1 TYR 69 HE1 TYR 69 175.927 -8.040 10.384 515 HE2 TYR 69 HE2 TYR 69 174.923 -9.950 6.707 516 HH TYR 69 HH TYR 69 174.771 -10.170 10.100 517 H ALA 70 HN ALA 70 175.990 -4.496 3.490 518 HA ALA 70 HA ALA 70 177.252 -1.841 3.588 519 1HB ALA 70 HB1 ALA 70 176.323 -1.814 1.142 520 2HB ALA 70 HB2 ALA 70 176.277 -3.564 1.351 521 3HB ALA 70 HB3 ALA 70 177.803 -2.697 1.518 522 H GLU 71 HN GLU 71 176.021 -0.097 3.988 523 HA GLU 71 HA GLU 71 173.144 -0.517 4.268 524 1HB GLU 71 HB2 GLU 71 174.330 0.424 6.186 525 2HB GLU 71 HB1 GLU 71 174.897 1.762 5.199 526 1HG GLU 71 HG2 GLU 71 173.134 2.722 6.297 527 2HG GLU 71 HG1 GLU 71 172.361 2.191 4.804 528 H VAL 72 HN VAL 72 171.656 0.412 3.033 529 HA VAL 72 HA VAL 72 172.459 2.556 1.194 530 HB VAL 72 HB VAL 72 171.319 -0.089 0.497 531 1HG1 VAL 72 HG11 VAL 72 170.320 1.046 -1.615 532 2HG1 VAL 72 HG12 VAL 72 170.201 2.470 -0.582 533 3HG1 VAL 72 HG13 VAL 72 169.364 0.983 -0.135 534 1HG2 VAL 72 HG21 VAL 72 173.064 1.973 -0.806 535 2HG2 VAL 72 HG22 VAL 72 172.456 0.572 -1.689 536 3HG2 VAL 72 HG23 VAL 72 173.487 0.344 -0.277 537 H TRP 73 HN TRP 73 171.022 4.204 1.041 538 HA TRP 73 HA TRP 73 168.473 3.857 2.479 539 1HB TRP 73 HB2 TRP 73 170.509 6.023 2.564 540 2HB TRP 73 HB1 TRP 73 168.817 6.500 2.684 541 HD1 TRP 73 HD1 TRP 73 170.016 3.223 4.216 542 HE1 TRP 73 HE1 TRP 73 169.813 3.374 6.775 543 HE3 TRP 73 HE3 TRP 73 168.828 8.176 4.642 544 HZ2 TRP 73 HZ2 TRP 73 169.213 5.323 8.716 545 HZ3 TRP 73 HZ3 TRP 73 168.455 9.107 6.890 546 HH2 TRP 73 HH2 TRP 73 168.647 7.710 8.885 547 H VAL 74 HN VAL 74 166.630 4.476 1.534 548 HA VAL 74 HA VAL 74 166.807 5.889 -1.039 549 HB VAL 74 HB VAL 74 164.846 3.675 -0.430 550 1HG1 VAL 74 HG11 VAL 74 165.244 4.307 -3.208 551 2HG1 VAL 74 HG12 VAL 74 164.787 5.754 -2.305 552 3HG1 VAL 74 HG13 VAL 74 163.758 4.320 -2.258 553 1HG2 VAL 74 HG21 VAL 74 167.571 3.620 -1.520 554 2HG2 VAL 74 HG22 VAL 74 166.371 2.764 -2.489 555 3HG2 VAL 74 HG23 VAL 74 166.611 2.330 -0.797 556 H GLY 75 HN GLY 75 165.980 7.801 -0.696 557 1HA GLY 75 HA2 GLY 75 163.452 7.999 0.831 558 2HA GLY 75 HA1 GLY 75 164.724 9.200 0.968 559 H LEU 76 HN LEU 76 163.803 10.984 0.209 560 HA LEU 76 HA LEU 76 163.057 10.997 -2.615 561 1HB LEU 76 HB2 LEU 76 161.113 11.164 -0.531 562 2HB LEU 76 HB1 LEU 76 161.235 12.750 -1.266 563 HG LEU 76 HG LEU 76 160.588 11.927 -3.392 564 1HD1 LEU 76 HD11 LEU 76 161.785 9.945 -3.688 565 2HD1 LEU 76 HD12 LEU 76 160.100 9.428 -3.643 566 3HD1 LEU 76 HD13 LEU 76 161.124 9.218 -2.223 567 1HD2 LEU 76 HD21 LEU 76 158.963 11.683 -1.141 568 2HD2 LEU 76 HD22 LEU 76 158.680 10.212 -2.071 569 3HD2 LEU 76 HD23 LEU 76 158.444 11.789 -2.824 570 H VAL 77 HN VAL 77 165.360 11.844 -2.078 571 HA VAL 77 HA VAL 77 165.932 14.255 -0.940 572 HB VAL 77 HB VAL 77 167.426 14.284 -3.346 573 1HG1 VAL 77 HG11 VAL 77 169.132 13.223 -1.576 574 2HG1 VAL 77 HG12 VAL 77 167.880 13.791 -0.472 575 3HG1 VAL 77 HG13 VAL 77 168.663 14.923 -1.576 576 1HG2 VAL 77 HG21 VAL 77 168.330 12.069 -3.511 577 2HG2 VAL 77 HG22 VAL 77 166.581 11.977 -3.711 578 3HG2 VAL 77 HG23 VAL 77 167.320 11.506 -2.180 579 H ASN 78 HN ASN 78 165.903 16.358 -1.455 580 HA ASN 78 HA ASN 78 164.013 17.180 -3.505 581 1HB ASN 78 HB2 ASN 78 164.039 18.024 -1.074 582 2HB ASN 78 HB1 ASN 78 165.439 18.977 -1.550 583 1HD2 ASN 78 HD21 ASN 78 164.804 20.994 -1.722 584 2HD2 ASN 78 HD22 ASN 78 163.400 21.551 -2.562 585 H GLU 79 HN GLU 79 165.855 19.808 -3.213 586 HA GLU 79 HA GLU 79 167.423 19.121 -5.563 587 1HB GLU 79 HB2 GLU 79 165.751 21.256 -5.095 588 2HB GLU 79 HB1 GLU 79 167.335 21.940 -4.753 589 1HG GLU 79 HG2 GLU 79 167.135 22.384 -6.985 590 2HG GLU 79 HG1 GLU 79 167.982 20.839 -7.027 591 H GLN 80 HN GLN 80 169.356 20.807 -5.588 592 HA GLN 80 HA GLN 80 171.552 20.893 -4.988 593 1HB GLN 80 HB2 GLN 80 171.849 22.128 -2.779 594 2HB GLN 80 HB1 GLN 80 170.908 22.915 -4.039 595 1HG GLN 80 HG2 GLN 80 169.572 23.327 -2.264 596 2HG GLN 80 HG1 GLN 80 168.898 21.779 -2.753 597 1HE2 GLN 80 HE21 GLN 80 168.467 22.613 -0.244 598 2HE2 GLN 80 HE22 GLN 80 169.402 21.694 0.882 599 H ASP 81 HN ASP 81 170.123 18.313 -4.068 600 HA ASP 81 HA ASP 81 170.862 16.383 -3.127 601 1HB ASP 81 HB2 ASP 81 173.179 17.542 -3.705 602 2HB ASP 81 HB1 ASP 81 173.294 17.650 -1.951 603 H GLU 82 HN GLU 82 169.026 16.811 -1.709 604 HA GLU 82 HA GLU 82 169.856 16.735 1.064 605 1HB GLU 82 HB2 GLU 82 168.415 19.020 -0.126 606 2HB GLU 82 HB1 GLU 82 167.721 18.391 1.364 607 1HG GLU 82 HG2 GLU 82 170.353 18.526 2.016 608 2HG GLU 82 HG1 GLU 82 170.190 19.899 0.923 609 H MET 83 HN MET 83 168.773 15.106 2.012 610 HA MET 83 HA MET 83 166.308 14.172 0.736 611 1HB MET 83 HB2 MET 83 168.237 12.590 1.038 612 2HB MET 83 HB1 MET 83 168.016 12.738 2.773 613 1HG MET 83 HG2 MET 83 165.680 11.897 2.458 614 2HG MET 83 HG1 MET 83 166.097 11.569 0.777 615 1HE MET 83 HE1 MET 83 166.630 9.543 0.006 616 2HE MET 83 HE2 MET 83 167.500 8.221 0.788 617 3HE MET 83 HE3 MET 83 168.373 9.656 0.249 618 H ASP 84 HN ASP 84 167.526 14.043 4.047 619 HA ASP 84 HA ASP 84 166.617 14.649 6.049 620 1HB ASP 84 HB2 ASP 84 165.921 16.708 4.476 621 2HB ASP 84 HB1 ASP 84 164.315 16.093 4.855 622 H ASP 85 HN ASP 85 164.722 13.118 3.619 623 HA ASP 85 HA ASP 85 163.174 11.771 5.694 624 1HB ASP 85 HB2 ASP 85 162.116 13.442 3.497 625 2HB ASP 85 HB1 ASP 85 161.328 11.872 3.699 626 H VAL 86 HN VAL 86 163.646 9.705 5.535 627 HA VAL 86 HA VAL 86 164.335 8.576 2.916 628 HB VAL 86 HB VAL 86 166.084 7.926 4.241 629 1HG1 VAL 86 HG11 VAL 86 164.206 7.718 6.585 630 2HG1 VAL 86 HG12 VAL 86 165.346 9.024 6.258 631 3HG1 VAL 86 HG13 VAL 86 165.942 7.406 6.637 632 1HG2 VAL 86 HG21 VAL 86 164.951 5.886 3.414 633 2HG2 VAL 86 HG22 VAL 86 164.128 5.751 4.968 634 3HG2 VAL 86 HG23 VAL 86 165.885 5.618 4.886 635 H PHE 87 HN PHE 87 163.396 6.651 2.185 636 HA PHE 87 HA PHE 87 160.687 6.212 3.197 637 1HB PHE 87 HB2 PHE 87 162.027 5.956 0.581 638 2HB PHE 87 HB1 PHE 87 160.864 4.686 0.944 639 HD1 PHE 87 HD1 PHE 87 161.288 8.335 0.588 640 HD2 PHE 87 HD2 PHE 87 158.557 5.087 0.860 641 HE1 PHE 87 HE1 PHE 87 159.451 9.831 -0.077 642 HE2 PHE 87 HE2 PHE 87 156.718 6.572 0.198 643 HZ PHE 87 HZ PHE 87 157.160 8.950 -0.275 644 H ALA 88 HN ALA 88 163.713 4.566 2.589 645 HA ALA 88 HA ALA 88 163.054 2.503 4.478 646 1HB ALA 88 HB1 ALA 88 163.090 1.941 1.540 647 2HB ALA 88 HB2 ALA 88 161.977 1.357 2.779 648 3HB ALA 88 HB3 ALA 88 163.612 0.703 2.683 649 H LYS 89 HN LYS 89 164.897 0.886 4.645 650 HA LYS 89 HA LYS 89 167.452 2.068 3.816 651 1HB LYS 89 HB2 LYS 89 167.706 0.680 6.344 652 2HB LYS 89 HB1 LYS 89 168.197 2.311 5.922 653 1HG LYS 89 HG2 LYS 89 165.365 2.275 6.258 654 2HG LYS 89 HG1 LYS 89 166.116 1.488 7.643 655 1HD LYS 89 HD2 LYS 89 167.565 3.860 6.950 656 2HD LYS 89 HD1 LYS 89 165.857 4.237 7.151 657 1HE LYS 89 HE2 LYS 89 166.539 4.447 9.317 658 2HE LYS 89 HE1 LYS 89 166.148 2.728 9.302 659 1HZ LYS 89 HZ1 LYS 89 168.575 3.901 9.942 660 2HZ LYS 89 HZ2 LYS 89 168.818 3.113 8.466 661 3HZ LYS 89 HZ3 LYS 89 168.237 2.249 9.799 662 H PHE 90 HN PHE 90 169.091 0.489 3.362 663 HA PHE 90 HA PHE 90 168.101 -2.284 3.388 664 1HB PHE 90 HB2 PHE 90 169.483 -0.888 1.094 665 2HB PHE 90 HB1 PHE 90 169.118 -2.610 1.149 666 HD1 PHE 90 HD1 PHE 90 167.343 0.635 1.660 667 HD2 PHE 90 HD2 PHE 90 167.241 -3.296 0.035 668 HE1 PHE 90 HE1 PHE 90 165.108 1.080 0.741 669 HE2 PHE 90 HE2 PHE 90 165.006 -2.856 -0.896 670 HZ PHE 90 HZ PHE 90 163.937 -0.666 -0.543 671 H LEU 91 HN LEU 91 169.459 -3.831 3.932 672 HA LEU 91 HA LEU 91 172.321 -3.213 4.186 673 1HB LEU 91 HB2 LEU 91 170.908 -5.005 6.132 674 2HB LEU 91 HB1 LEU 91 172.483 -4.250 6.280 675 HG LEU 91 HG LEU 91 170.054 -2.511 6.174 676 1HD1 LEU 91 HD11 LEU 91 169.503 -4.239 7.803 677 2HD1 LEU 91 HD12 LEU 91 169.792 -2.688 8.584 678 3HD1 LEU 91 HD13 LEU 91 171.029 -3.945 8.639 679 1HD2 LEU 91 HD21 LEU 91 171.460 -1.142 7.686 680 2HD2 LEU 91 HD22 LEU 91 172.209 -1.437 6.117 681 3HD2 LEU 91 HD23 LEU 91 172.740 -2.345 7.532 682 H ILE 92 HN ILE 92 173.632 -4.722 3.306 683 HA ILE 92 HA ILE 92 172.558 -7.401 2.820 684 HB ILE 92 HB ILE 92 174.059 -6.557 0.499 685 1HG1 ILE 92 HG12 ILE 92 171.662 -4.903 1.292 686 2HG1 ILE 92 HG11 ILE 92 173.252 -4.341 0.791 687 1HG2 ILE 92 HG21 ILE 92 172.695 -8.037 -0.452 688 2HG2 ILE 92 HG22 ILE 92 171.256 -7.170 0.085 689 3HG2 ILE 92 HG23 ILE 92 172.037 -8.334 1.157 690 1HD1 ILE 92 HD11 ILE 92 172.520 -5.659 -1.423 691 2HD1 ILE 92 HD12 ILE 92 172.170 -3.954 -1.138 692 3HD1 ILE 92 HD13 ILE 92 170.936 -5.174 -0.818 693 H SER 93 HN SER 93 173.952 -8.957 3.177 694 HA SER 93 HA SER 93 176.461 -8.567 4.306 695 1HB SER 93 HB2 SER 93 174.840 -10.811 3.534 696 2HB SER 93 HB1 SER 93 176.514 -11.115 3.071 697 HG SER 93 HG SER 93 175.507 -11.409 5.434 698 H HIS 94 HN HIS 94 178.497 -8.380 3.555 699 HA HIS 94 HA HIS 94 178.869 -7.720 0.790 700 1HB HIS 94 HB2 HIS 94 180.687 -7.853 3.182 701 2HB HIS 94 HB1 HIS 94 181.350 -7.638 1.562 702 HD1 HIS 94 HD1 HIS 94 181.322 -5.321 0.626 703 HD2 HIS 94 HD2 HIS 94 178.941 -5.684 4.003 704 HE1 HIS 94 HE1 HIS 94 180.635 -2.975 1.218 705 HE2 HIS 94 HE2 HIS 94 179.121 -3.231 3.214 706 H ARG 95 HN ARG 95 179.157 -10.592 2.661 707 HA ARG 95 HA ARG 95 181.132 -12.023 1.368 708 1HB ARG 95 HB2 ARG 95 178.588 -12.793 2.734 709 2HB ARG 95 HB1 ARG 95 179.501 -14.027 1.877 710 1HG ARG 95 HG2 ARG 95 180.484 -14.275 3.885 711 2HG ARG 95 HG1 ARG 95 181.482 -12.938 3.310 712 1HD ARG 95 HD2 ARG 95 180.805 -11.697 5.020 713 2HD ARG 95 HD1 ARG 95 179.138 -11.835 4.467 714 HE ARG 95 HE ARG 95 180.403 -13.323 6.603 715 1HH1 ARG 95 HH11 ARG 95 177.679 -13.102 4.429 716 2HH1 ARG 95 HH12 ARG 95 176.652 -14.082 5.419 717 1HH2 ARG 95 HH21 ARG 95 179.051 -14.612 7.903 718 2HH2 ARG 95 HH22 ARG 95 177.429 -14.938 7.389 719 H GLU 96 HN GLU 96 180.607 -14.053 -0.025 720 HA GLU 96 HA GLU 96 179.104 -13.104 -2.365 721 1HB GLU 96 HB2 GLU 96 181.673 -13.881 -2.291 722 2HB GLU 96 HB1 GLU 96 180.920 -15.442 -2.585 723 1HG GLU 96 HG2 GLU 96 181.002 -14.904 -4.737 724 2HG GLU 96 HG1 GLU 96 179.659 -13.814 -4.396 725 H GLU 97 HN GLU 97 179.876 -16.181 -0.722 726 HA GLU 97 HA GLU 97 177.521 -17.432 -1.850 727 1HB GLU 97 HB2 GLU 97 179.973 -18.308 -0.551 728 2HB GLU 97 HB1 GLU 97 178.566 -19.152 0.079 729 1HG GLU 97 HG2 GLU 97 177.941 -19.696 -2.277 730 2HG GLU 97 HG1 GLU 97 179.490 -19.020 -2.778 731 H ASP 98 HN ASP 98 175.581 -17.426 -0.940 732 HA ASP 98 HA ASP 98 173.906 -17.237 0.591 733 1HB ASP 98 HB2 ASP 98 176.141 -18.387 2.146 734 2HB ASP 98 HB1 ASP 98 174.892 -17.595 3.102 735 H ARG 99 HN ARG 99 173.157 -15.226 0.755 736 HA ARG 99 HA ARG 99 174.585 -13.357 2.511 737 1HB ARG 99 HB2 ARG 99 173.828 -11.534 0.854 738 2HB ARG 99 HB1 ARG 99 175.229 -12.517 0.429 739 1HG ARG 99 HG2 ARG 99 174.251 -13.211 -1.433 740 2HG ARG 99 HG1 ARG 99 172.824 -13.747 -0.546 741 1HD ARG 99 HD2 ARG 99 171.762 -11.673 -0.774 742 2HD ARG 99 HD1 ARG 99 173.266 -10.851 -1.198 743 HE ARG 99 HE ARG 99 172.952 -12.614 -3.217 744 1HH1 ARG 99 HH11 ARG 99 170.825 -10.240 -1.795 745 2HH1 ARG 99 HH12 ARG 99 169.962 -9.950 -3.267 746 1HH2 ARG 99 HH21 ARG 99 171.818 -12.233 -5.154 747 2HH2 ARG 99 HH22 ARG 99 170.525 -11.081 -5.175 748 H GLU 100 HN GLU 100 173.329 -12.100 3.785 749 HA GLU 100 HA GLU 100 170.421 -12.538 3.616 750 1HB GLU 100 HB2 GLU 100 172.172 -11.897 5.995 751 2HB GLU 100 HB1 GLU 100 170.415 -11.934 6.050 752 1HG GLU 100 HG2 GLU 100 172.236 -14.245 5.422 753 2HG GLU 100 HG1 GLU 100 171.322 -13.995 6.909 754 H PHE 101 HN PHE 101 169.023 -10.793 3.694 755 HA PHE 101 HA PHE 101 170.222 -8.124 3.872 756 1HB PHE 101 HB2 PHE 101 169.002 -7.356 1.920 757 2HB PHE 101 HB1 PHE 101 170.009 -8.731 1.477 758 HD1 PHE 101 HD1 PHE 101 166.713 -7.371 1.507 759 HD2 PHE 101 HD2 PHE 101 168.902 -11.016 1.331 760 HE1 PHE 101 HE1 PHE 101 164.736 -8.509 0.584 761 HE2 PHE 101 HE2 PHE 101 166.930 -12.160 0.406 762 HZ PHE 101 HZ PHE 101 164.843 -10.906 0.032 763 H HIS 102 HN HIS 102 168.933 -6.554 4.756 764 HA HIS 102 HA HIS 102 166.180 -7.265 5.450 765 1HB HIS 102 HB2 HIS 102 166.933 -5.917 7.707 766 2HB HIS 102 HB1 HIS 102 166.808 -7.664 7.576 767 HD1 HIS 102 HD1 HIS 102 168.845 -5.659 9.265 768 HD2 HIS 102 HD2 HIS 102 169.720 -8.273 6.158 769 HE1 HIS 102 HE1 HIS 102 171.286 -6.205 9.509 770 HE2 HIS 102 HE2 HIS 102 171.770 -7.852 7.669 771 H VAL 103 HN VAL 103 164.774 -5.638 5.205 772 HA VAL 103 HA VAL 103 165.894 -2.956 4.711 773 HB VAL 103 HB VAL 103 165.098 -4.041 2.651 774 1HG1 VAL 103 HG11 VAL 103 162.482 -4.107 4.134 775 2HG1 VAL 103 HG12 VAL 103 163.354 -5.452 3.400 776 3HG1 VAL 103 HG13 VAL 103 162.591 -4.233 2.380 777 1HG2 VAL 103 HG21 VAL 103 163.661 -1.599 3.648 778 2HG2 VAL 103 HG22 VAL 103 163.481 -2.184 1.995 779 3HG2 VAL 103 HG23 VAL 103 165.068 -1.693 2.589 780 H ILE 104 HN ILE 104 164.820 -1.167 5.439 781 HA ILE 104 HA ILE 104 162.696 -1.637 7.427 782 HB ILE 104 HB ILE 104 164.345 0.859 7.003 783 1HG1 ILE 104 HG12 ILE 104 165.412 0.230 9.189 784 2HG1 ILE 104 HG11 ILE 104 164.641 -1.349 9.041 785 1HG2 ILE 104 HG21 ILE 104 163.446 1.148 9.465 786 2HG2 ILE 104 HG22 ILE 104 162.143 0.139 8.839 787 3HG2 ILE 104 HG23 ILE 104 162.519 1.677 8.062 788 1HD1 ILE 104 HD11 ILE 104 167.124 -0.736 8.177 789 2HD1 ILE 104 HD12 ILE 104 166.180 -0.514 6.705 790 3HD1 ILE 104 HD13 ILE 104 166.142 -2.060 7.554 791 H TRP 105 HN TRP 105 160.664 -0.776 7.127 792 HA TRP 105 HA TRP 105 160.303 0.886 4.724 793 1HB TRP 105 HB2 TRP 105 158.345 -1.113 5.873 794 2HB TRP 105 HB1 TRP 105 158.074 -0.109 4.446 795 HD1 TRP 105 HD1 TRP 105 159.543 -3.380 5.521 796 HE1 TRP 105 HE1 TRP 105 160.566 -4.582 3.488 797 HE3 TRP 105 HE3 TRP 105 159.420 0.461 2.147 798 HZ2 TRP 105 HZ2 TRP 105 161.225 -3.984 0.814 799 HZ3 TRP 105 HZ3 TRP 105 160.255 0.064 -0.118 800 HH2 TRP 105 HH2 TRP 105 161.152 -2.113 -0.779 801 H LYS 106 HN LYS 106 157.778 0.164 7.081 802 HA LYS 106 HA LYS 106 158.029 2.416 8.703 803 1HB LYS 106 HB2 LYS 106 157.384 3.240 6.189 804 2HB LYS 106 HB1 LYS 106 155.786 3.043 6.894 805 1HG LYS 106 HG2 LYS 106 156.079 5.139 7.607 806 2HG LYS 106 HG1 LYS 106 157.068 4.398 8.866 807 1HD LYS 106 HD2 LYS 106 158.848 5.506 8.128 808 2HD LYS 106 HD1 LYS 106 158.689 4.725 6.553 809 1HE LYS 106 HE2 LYS 106 158.360 6.800 5.775 810 2HE LYS 106 HE1 LYS 106 156.735 6.628 6.440 811 1HZ LYS 106 HZ1 LYS 106 157.242 7.919 8.250 812 2HZ LYS 106 HZ2 LYS 106 158.183 8.670 7.062 813 3HZ LYS 106 HZ3 LYS 106 158.904 7.610 8.165 814 H LYS 107 HN LYS 107 156.726 2.152 10.411 815 HA LYS 107 HA LYS 107 154.687 0.071 10.256 816 1HB LYS 107 HB2 LYS 107 155.853 1.518 12.640 817 2HB LYS 107 HB1 LYS 107 154.690 0.202 12.725 818 1HG LYS 107 HG2 LYS 107 156.375 -1.222 11.518 819 2HG LYS 107 HG1 LYS 107 157.534 0.087 11.761 820 1HD LYS 107 HD2 LYS 107 157.311 -0.095 14.153 821 2HD LYS 107 HD1 LYS 107 156.020 -1.285 13.980 822 1HE LYS 107 HE2 LYS 107 157.693 -2.765 14.263 823 2HE LYS 107 HE1 LYS 107 157.973 -2.473 12.547 824 1HZ LYS 107 HZ1 LYS 107 160.039 -2.264 13.659 825 2HZ LYS 107 HZ2 LYS 107 159.394 -1.237 14.837 826 3HZ LYS 107 HZ3 LYS 107 159.557 -0.697 13.243 Start of MODEL 12 1 H MET 1 HT1 MET 1 191.948 -18.022 0.878 2 HA MET 1 HA MET 1 192.118 -17.538 3.308 3 1HB MET 1 HB2 MET 1 194.620 -17.912 3.190 4 2HB MET 1 HB1 MET 1 193.639 -19.033 2.257 5 1HG MET 1 HG2 MET 1 194.502 -16.672 0.765 6 2HG MET 1 HG1 MET 1 195.819 -17.698 1.330 7 1HE MET 1 HE1 MET 1 195.488 -20.951 -0.113 8 2HE MET 1 HE2 MET 1 193.907 -20.929 0.668 9 3HE MET 1 HE3 MET 1 195.297 -20.199 1.470 10 H THR 2 HN THR 2 191.585 -14.904 2.093 11 HA THR 2 HA THR 2 193.670 -13.092 2.565 12 HB THR 2 HB THR 2 191.148 -12.873 1.555 13 HG1 THR 2 HG1 THR 2 192.866 -10.862 2.558 14 1HG2 THR 2 HG21 THR 2 189.771 -11.460 2.844 15 2HG2 THR 2 HG22 THR 2 190.992 -11.293 4.105 16 3HG2 THR 2 HG23 THR 2 190.173 -12.838 3.868 17 H THR 3 HN THR 3 193.860 -11.526 4.326 18 HA THR 3 HA THR 3 193.289 -12.811 6.904 19 HB THR 3 HB THR 3 195.666 -12.406 6.390 20 HG1 THR 3 HG1 THR 3 194.956 -12.298 8.564 21 1HG2 THR 3 HG21 THR 3 194.970 -10.103 5.216 22 2HG2 THR 3 HG22 THR 3 196.587 -10.435 5.837 23 3HG2 THR 3 HG23 THR 3 195.445 -9.503 6.805 24 H GLU 4 HN GLU 4 192.407 -10.166 4.956 25 HA GLU 4 HA GLU 4 191.050 -8.924 7.250 26 1HB GLU 4 HB2 GLU 4 192.777 -7.388 6.725 27 2HB GLU 4 HB1 GLU 4 192.554 -7.599 4.997 28 1HG GLU 4 HG2 GLU 4 190.273 -6.515 5.312 29 2HG GLU 4 HG1 GLU 4 190.833 -6.064 6.922 30 H ILE 5 HN ILE 5 188.933 -8.392 6.953 31 HA ILE 5 HA ILE 5 187.495 -9.651 4.882 32 HB ILE 5 HB ILE 5 186.504 -7.427 6.667 33 1HG1 ILE 5 HG12 ILE 5 187.487 -9.206 8.021 34 2HG1 ILE 5 HG11 ILE 5 185.733 -9.229 8.170 35 1HG2 ILE 5 HG21 ILE 5 185.008 -7.878 4.832 36 2HG2 ILE 5 HG22 ILE 5 184.310 -8.515 6.321 37 3HG2 ILE 5 HG23 ILE 5 185.068 -9.609 5.163 38 1HD1 ILE 5 HD11 ILE 5 185.695 -11.346 7.552 39 2HD1 ILE 5 HD12 ILE 5 187.456 -11.334 7.449 40 3HD1 ILE 5 HD13 ILE 5 186.487 -10.941 6.029 41 H LYS 6 HN LYS 6 186.465 -8.851 3.073 42 HA LYS 6 HA LYS 6 187.600 -6.402 1.984 43 1HB LYS 6 HB2 LYS 6 186.382 -8.847 0.896 44 2HB LYS 6 HB1 LYS 6 185.931 -7.378 0.041 45 1HG LYS 6 HG2 LYS 6 188.751 -8.293 0.572 46 2HG LYS 6 HG1 LYS 6 187.882 -8.463 -0.954 47 1HD LYS 6 HD2 LYS 6 188.198 -6.307 -1.514 48 2HD LYS 6 HD1 LYS 6 187.912 -5.738 0.132 49 1HE LYS 6 HE2 LYS 6 190.202 -6.601 0.713 50 2HE LYS 6 HE1 LYS 6 190.458 -6.874 -1.009 51 1HZ LYS 6 HZ1 LYS 6 191.220 -4.789 -0.998 52 2HZ LYS 6 HZ2 LYS 6 190.504 -4.414 0.487 53 3HZ LYS 6 HZ3 LYS 6 189.596 -4.318 -0.937 54 H LYS 7 HN LYS 7 185.723 -5.421 0.324 55 HA LYS 7 HA LYS 7 183.310 -4.956 1.907 56 1HB LYS 7 HB2 LYS 7 185.285 -2.853 1.063 57 2HB LYS 7 HB1 LYS 7 183.593 -2.454 1.328 58 1HG LYS 7 HG2 LYS 7 184.128 -3.786 3.607 59 2HG LYS 7 HG1 LYS 7 185.718 -3.092 3.260 60 1HD LYS 7 HD2 LYS 7 183.580 -1.170 2.861 61 2HD LYS 7 HD1 LYS 7 183.584 -1.820 4.502 62 1HE LYS 7 HE2 LYS 7 186.220 -1.363 4.155 63 2HE LYS 7 HE1 LYS 7 185.545 -0.092 3.137 64 1HZ LYS 7 HZ1 LYS 7 185.410 -0.423 6.033 65 2HZ LYS 7 HZ2 LYS 7 184.049 0.235 5.275 66 3HZ LYS 7 HZ3 LYS 7 185.554 0.989 5.110 67 H LEU 8 HN LEU 8 181.778 -3.459 0.619 68 HA LEU 8 HA LEU 8 181.644 -4.507 -2.109 69 1HB LEU 8 HB2 LEU 8 179.761 -4.164 -0.033 70 2HB LEU 8 HB1 LEU 8 179.306 -3.035 -1.292 71 HG LEU 8 HG LEU 8 179.835 -5.926 -1.909 72 1HD1 LEU 8 HD11 LEU 8 178.117 -5.665 -0.081 73 2HD1 LEU 8 HD12 LEU 8 177.566 -6.476 -1.547 74 3HD1 LEU 8 HD13 LEU 8 177.129 -4.793 -1.253 75 1HD2 LEU 8 HD21 LEU 8 179.714 -4.739 -3.892 76 2HD2 LEU 8 HD22 LEU 8 178.500 -3.621 -3.269 77 3HD2 LEU 8 HD23 LEU 8 178.050 -5.278 -3.672 78 H ASP 9 HN ASP 9 180.563 -2.941 -3.732 79 HA ASP 9 HA ASP 9 181.921 -0.349 -3.486 80 1HB ASP 9 HB2 ASP 9 181.199 -2.094 -5.806 81 2HB ASP 9 HB1 ASP 9 181.310 -0.355 -6.059 82 HA PRO 10 HA PRO 10 178.178 1.918 -2.947 83 1HB PRO 10 HB2 PRO 10 179.253 3.682 -5.104 84 2HB PRO 10 HB1 PRO 10 178.633 4.110 -3.500 85 1HG PRO 10 HG2 PRO 10 181.250 4.094 -3.975 86 2HG PRO 10 HG1 PRO 10 180.603 3.503 -2.433 87 1HD PRO 10 HD2 PRO 10 181.667 1.968 -4.758 88 2HD PRO 10 HD1 PRO 10 181.772 1.609 -3.023 89 H ASP 11 HN ASP 11 179.194 1.901 -6.372 90 HA ASP 11 HA ASP 11 176.691 2.164 -7.520 91 1HB ASP 11 HB2 ASP 11 179.153 2.027 -8.531 92 2HB ASP 11 HB1 ASP 11 178.649 0.375 -8.873 93 H THR 12 HN THR 12 178.308 -0.750 -6.369 94 HA THR 12 HA THR 12 176.231 -2.484 -7.372 95 HB THR 12 HB THR 12 178.597 -3.015 -5.568 96 HG1 THR 12 HG1 THR 12 179.371 -4.056 -7.468 97 1HG2 THR 12 HG21 THR 12 176.740 -4.647 -5.212 98 2HG2 THR 12 HG22 THR 12 178.239 -5.347 -5.826 99 3HG2 THR 12 HG23 THR 12 176.880 -5.080 -6.916 100 H ALA 13 HN ALA 13 177.111 -1.022 -4.293 101 HA ALA 13 HA ALA 13 175.385 -2.548 -2.659 102 1HB ALA 13 HB1 ALA 13 176.163 -1.280 -0.975 103 2HB ALA 13 HB2 ALA 13 175.851 0.230 -1.831 104 3HB ALA 13 HB3 ALA 13 177.309 -0.698 -2.183 105 H ILE 14 HN ILE 14 174.914 0.294 -4.623 106 HA ILE 14 HA ILE 14 172.286 0.851 -3.569 107 HB ILE 14 HB ILE 14 173.665 1.976 -6.012 108 1HG1 ILE 14 HG12 ILE 14 173.338 3.101 -3.221 109 2HG1 ILE 14 HG11 ILE 14 174.834 2.470 -3.901 110 1HG2 ILE 14 HG21 ILE 14 171.217 2.156 -6.122 111 2HG2 ILE 14 HG22 ILE 14 171.987 3.732 -5.944 112 3HG2 ILE 14 HG23 ILE 14 171.216 2.967 -4.556 113 1HD1 ILE 14 HD11 ILE 14 175.143 4.293 -5.255 114 2HD1 ILE 14 HD12 ILE 14 174.381 5.030 -3.844 115 3HD1 ILE 14 HD13 ILE 14 173.426 4.695 -5.290 116 H ASP 15 HN ASP 15 173.467 -0.080 -6.807 117 HA ASP 15 HA ASP 15 171.105 -0.579 -8.067 118 1HB ASP 15 HB2 ASP 15 173.713 -0.949 -8.710 119 2HB ASP 15 HB1 ASP 15 173.173 -2.620 -8.586 120 H ILE 16 HN ILE 16 172.594 -2.572 -5.608 121 HA ILE 16 HA ILE 16 170.889 -4.837 -6.141 122 HB ILE 16 HB ILE 16 171.743 -5.690 -3.916 123 1HG1 ILE 16 HG12 ILE 16 174.104 -4.147 -3.751 124 2HG1 ILE 16 HG11 ILE 16 172.761 -3.003 -3.786 125 1HG2 ILE 16 HG21 ILE 16 172.769 -5.860 -6.388 126 2HG2 ILE 16 HG22 ILE 16 173.470 -6.669 -4.986 127 3HG2 ILE 16 HG23 ILE 16 174.138 -5.135 -5.545 128 1HD1 ILE 16 HD11 ILE 16 173.545 -4.967 -1.737 129 2HD1 ILE 16 HD12 ILE 16 171.814 -4.736 -1.991 130 3HD1 ILE 16 HD13 ILE 16 172.835 -3.362 -1.565 131 H ALA 17 HN ALA 17 171.035 -2.264 -3.699 132 HA ALA 17 HA ALA 17 168.716 -3.146 -2.296 133 1HB ALA 17 HB1 ALA 17 168.800 -0.641 -1.514 134 2HB ALA 17 HB2 ALA 17 170.390 -0.678 -2.277 135 3HB ALA 17 HB3 ALA 17 170.016 -1.796 -0.965 136 H TYR 18 HN TYR 18 169.336 -1.064 -5.022 137 HA TYR 18 HA TYR 18 166.870 0.266 -5.173 138 1HB TYR 18 HB2 TYR 18 169.006 0.756 -6.476 139 2HB TYR 18 HB1 TYR 18 168.547 -0.565 -7.544 140 HD1 TYR 18 HD1 TYR 18 166.521 -0.368 -8.953 141 HD2 TYR 18 HD2 TYR 18 167.926 2.883 -6.596 142 HE1 TYR 18 HE1 TYR 18 165.142 1.180 -10.277 143 HE2 TYR 18 HE2 TYR 18 166.549 4.439 -7.911 144 HH TYR 18 HH TYR 18 165.280 3.754 -10.829 145 H ASP 19 HN ASP 19 167.990 -2.792 -6.577 146 HA ASP 19 HA ASP 19 165.539 -3.369 -7.907 147 1HB ASP 19 HB2 ASP 19 168.133 -4.541 -7.706 148 2HB ASP 19 HB1 ASP 19 166.943 -5.785 -7.314 149 H ILE 20 HN ILE 20 166.685 -3.766 -4.670 150 HA ILE 20 HA ILE 20 164.802 -5.790 -3.901 151 HB ILE 20 HB ILE 20 166.479 -3.916 -2.225 152 1HG1 ILE 20 HG12 ILE 20 166.878 -6.877 -2.455 153 2HG1 ILE 20 HG11 ILE 20 167.482 -5.820 -3.734 154 1HG2 ILE 20 HG21 ILE 20 164.868 -6.312 -1.351 155 2HG2 ILE 20 HG22 ILE 20 164.478 -4.628 -1.008 156 3HG2 ILE 20 HG23 ILE 20 165.936 -5.350 -0.330 157 1HD1 ILE 20 HD11 ILE 20 168.691 -6.465 -1.274 158 2HD1 ILE 20 HD12 ILE 20 168.269 -4.754 -1.215 159 3HD1 ILE 20 HD13 ILE 20 169.276 -5.370 -2.526 160 H PHE 21 HN PHE 21 164.842 -2.313 -4.078 161 HA PHE 21 HA PHE 21 162.508 -1.955 -2.427 162 1HB PHE 21 HB2 PHE 21 164.206 -0.206 -2.537 163 2HB PHE 21 HB1 PHE 21 163.975 -0.059 -4.274 164 HD1 PHE 21 HD1 PHE 21 161.547 -0.240 -1.447 165 HD2 PHE 21 HD2 PHE 21 163.090 2.009 -4.714 166 HE1 PHE 21 HE1 PHE 21 159.828 1.481 -1.072 167 HE2 PHE 21 HE2 PHE 21 161.378 3.735 -4.340 168 HZ PHE 21 HZ PHE 21 159.744 3.471 -2.518 169 H LEU 22 HN LEU 22 163.269 -1.965 -5.879 170 HA LEU 22 HA LEU 22 160.558 -1.398 -6.653 171 1HB LEU 22 HB2 LEU 22 163.079 -2.059 -8.123 172 2HB LEU 22 HB1 LEU 22 161.536 -2.091 -8.961 173 HG LEU 22 HG LEU 22 162.826 0.035 -9.209 174 1HD1 LEU 22 HD11 LEU 22 160.783 1.463 -8.440 175 2HD1 LEU 22 HD12 LEU 22 160.060 -0.116 -8.129 176 3HD1 LEU 22 HD13 LEU 22 160.618 0.294 -9.750 177 1HD2 LEU 22 HD21 LEU 22 163.775 0.195 -6.987 178 2HD2 LEU 22 HD22 LEU 22 162.164 0.329 -6.281 179 3HD2 LEU 22 HD23 LEU 22 162.782 1.614 -7.319 180 H GLU 23 HN GLU 23 161.987 -4.154 -5.465 181 HA GLU 23 HA GLU 23 160.150 -5.870 -6.997 182 1HB GLU 23 HB2 GLU 23 161.662 -7.638 -6.901 183 2HB GLU 23 HB1 GLU 23 162.693 -6.242 -7.175 184 1HG GLU 23 HG2 GLU 23 163.116 -6.176 -4.715 185 2HG GLU 23 HG1 GLU 23 162.253 -7.707 -4.587 186 H MET 24 HN MET 24 161.587 -5.354 -3.784 187 HA MET 24 HA MET 24 159.688 -7.158 -2.559 188 1HB MET 24 HB2 MET 24 162.242 -6.318 -1.918 189 2HB MET 24 HB1 MET 24 161.237 -5.497 -0.731 190 1HG MET 24 HG2 MET 24 160.164 -7.849 -0.426 191 2HG MET 24 HG1 MET 24 161.667 -8.413 -1.164 192 1HE MET 24 HE1 MET 24 160.035 -6.231 1.302 193 2HE MET 24 HE2 MET 24 161.233 -5.858 2.541 194 3HE MET 24 HE3 MET 24 160.310 -7.359 2.630 195 H ALA 25 HN ALA 25 160.328 -3.649 -2.479 196 HA ALA 25 HA ALA 25 158.469 -2.891 -0.584 197 1HB ALA 25 HB1 ALA 25 160.182 -1.509 -2.011 198 2HB ALA 25 HB2 ALA 25 158.757 -0.740 -1.313 199 3HB ALA 25 HB3 ALA 25 158.766 -1.200 -3.016 200 H GLY 26 HN GLY 26 156.326 -3.066 -0.441 201 1HA GLY 26 HA2 GLY 26 154.411 -2.331 -2.211 202 2HA GLY 26 HA1 GLY 26 154.795 -3.968 -2.718 203 H GLU 27 HN GLU 27 154.806 -5.592 -0.827 204 HA GLU 27 HA GLU 27 152.224 -5.368 0.453 205 1HB GLU 27 HB2 GLU 27 152.667 -7.704 1.179 206 2HB GLU 27 HB1 GLU 27 152.779 -7.477 -0.561 207 1HG GLU 27 HG2 GLU 27 155.346 -7.084 0.665 208 2HG GLU 27 HG1 GLU 27 154.665 -8.640 1.138 209 H ASN 28 HN ASN 28 155.335 -4.478 1.315 210 HA ASN 28 HA ASN 28 154.893 -4.976 4.169 211 1HB ASN 28 HB2 ASN 28 157.340 -4.079 2.635 212 2HB ASN 28 HB1 ASN 28 157.271 -4.188 4.400 213 1HD2 ASN 28 HD21 ASN 28 157.033 -6.027 1.415 214 2HD2 ASN 28 HD22 ASN 28 157.478 -7.549 2.100 215 H LEU 29 HN LEU 29 156.417 -2.289 2.412 216 HA LEU 29 HA LEU 29 155.707 -0.356 4.330 217 1HB LEU 29 HB2 LEU 29 157.583 0.000 2.932 218 2HB LEU 29 HB1 LEU 29 156.629 -0.152 1.478 219 HG LEU 29 HG LEU 29 156.141 2.089 3.409 220 1HD1 LEU 29 HD11 LEU 29 158.322 1.835 1.376 221 2HD1 LEU 29 HD12 LEU 29 158.401 2.445 3.030 222 3HD1 LEU 29 HD13 LEU 29 157.627 3.406 1.772 223 1HD2 LEU 29 HD21 LEU 29 155.876 2.761 0.662 224 2HD2 LEU 29 HD22 LEU 29 154.619 2.637 1.890 225 3HD2 LEU 29 HD23 LEU 29 155.049 1.227 0.931 226 H ASP 30 HN ASP 30 153.932 0.740 4.660 227 HA ASP 30 HA ASP 30 151.458 0.189 3.780 228 1HB ASP 30 HB2 ASP 30 152.558 2.142 5.387 229 2HB ASP 30 HB1 ASP 30 151.738 3.074 4.139 230 HA PRO 31 HA PRO 31 150.794 1.467 -0.383 231 1HB PRO 31 HB2 PRO 31 148.147 2.511 0.397 232 2HB PRO 31 HB1 PRO 31 148.557 1.196 -0.714 233 1HG PRO 31 HG2 PRO 31 147.470 0.713 1.689 234 2HG PRO 31 HG1 PRO 31 148.681 -0.371 0.979 235 1HD PRO 31 HD2 PRO 31 149.016 1.715 3.105 236 2HD PRO 31 HD1 PRO 31 149.713 0.080 3.006 237 H ALA 32 HN ALA 32 149.951 3.796 2.142 238 HA ALA 32 HA ALA 32 149.612 6.079 0.600 239 1HB ALA 32 HB1 ALA 32 149.957 7.336 2.573 240 2HB ALA 32 HB2 ALA 32 150.955 6.072 3.292 241 3HB ALA 32 HB3 ALA 32 149.222 5.815 3.081 242 H ASP 33 HN ASP 33 152.618 4.988 2.193 243 HA ASP 33 HA ASP 33 154.258 6.967 1.050 244 1HB ASP 33 HB2 ASP 33 154.654 4.468 2.562 245 2HB ASP 33 HB1 ASP 33 156.000 4.926 1.523 246 H ILE 34 HN ILE 34 152.943 4.036 -0.209 247 HA ILE 34 HA ILE 34 154.859 3.646 -2.295 248 HB ILE 34 HB ILE 34 152.026 2.634 -1.994 249 1HG1 ILE 34 HG12 ILE 34 154.665 1.182 -1.720 250 2HG1 ILE 34 HG11 ILE 34 153.727 1.809 -0.363 251 1HG2 ILE 34 HG21 ILE 34 154.097 1.925 -4.065 252 2HG2 ILE 34 HG22 ILE 34 152.551 2.727 -4.343 253 3HG2 ILE 34 HG23 ILE 34 152.589 1.049 -3.803 254 1HD1 ILE 34 HD11 ILE 34 152.160 0.118 -2.129 255 2HD1 ILE 34 HD12 ILE 34 152.358 0.059 -0.377 256 3HD1 ILE 34 HD13 ILE 34 153.549 -0.711 -1.426 257 H LEU 35 HN LEU 35 151.623 5.086 -2.106 258 HA LEU 35 HA LEU 35 151.253 5.798 -4.747 259 1HB LEU 35 HB2 LEU 35 149.499 6.075 -3.121 260 2HB LEU 35 HB1 LEU 35 150.443 7.254 -2.232 261 HG LEU 35 HG LEU 35 150.128 8.174 -4.926 262 1HD1 LEU 35 HD11 LEU 35 147.521 7.580 -3.538 263 2HD1 LEU 35 HD12 LEU 35 148.148 6.677 -4.917 264 3HD1 LEU 35 HD13 LEU 35 147.746 8.386 -5.091 265 1HD2 LEU 35 HD21 LEU 35 148.701 9.333 -2.574 266 2HD2 LEU 35 HD22 LEU 35 149.535 10.147 -3.898 267 3HD2 LEU 35 HD23 LEU 35 150.464 9.356 -2.624 268 H LEU 36 HN LEU 36 152.957 7.589 -2.196 269 HA LEU 36 HA LEU 36 153.612 9.837 -3.769 270 1HB LEU 36 HB2 LEU 36 154.513 8.688 -1.195 271 2HB LEU 36 HB1 LEU 36 155.651 9.756 -1.994 272 HG LEU 36 HG LEU 36 152.809 10.592 -1.487 273 1HD1 LEU 36 HD11 LEU 36 154.141 11.879 0.445 274 2HD1 LEU 36 HD12 LEU 36 155.057 10.372 0.415 275 3HD1 LEU 36 HD13 LEU 36 153.317 10.341 0.701 276 1HD2 LEU 36 HD21 LEU 36 153.459 12.647 -2.157 277 2HD2 LEU 36 HD22 LEU 36 154.696 11.735 -3.022 278 3HD2 LEU 36 HD23 LEU 36 155.075 12.480 -1.469 279 H PHE 37 HN PHE 37 155.623 7.064 -2.819 280 HA PHE 37 HA PHE 37 157.845 7.635 -4.391 281 1HB PHE 37 HB2 PHE 37 158.277 5.963 -2.867 282 2HB PHE 37 HB1 PHE 37 156.730 5.172 -3.131 283 HD1 PHE 37 HD1 PHE 37 159.463 6.049 -5.512 284 HD2 PHE 37 HD2 PHE 37 157.178 2.976 -3.658 285 HE1 PHE 37 HE1 PHE 37 160.565 4.372 -6.935 286 HE2 PHE 37 HE2 PHE 37 158.276 1.296 -5.077 287 HZ PHE 37 HZ PHE 37 159.973 1.992 -6.718 288 H ASN 38 HN ASN 38 154.828 6.039 -5.227 289 HA ASN 38 HA ASN 38 155.712 5.140 -7.796 290 1HB ASN 38 HB2 ASN 38 153.183 5.130 -6.265 291 2HB ASN 38 HB1 ASN 38 153.006 5.152 -8.017 292 1HD2 ASN 38 HD21 ASN 38 152.291 3.115 -8.313 293 2HD2 ASN 38 HD22 ASN 38 153.219 1.694 -7.945 294 H LEU 39 HN LEU 39 153.786 7.877 -6.630 295 HA LEU 39 HA LEU 39 153.408 8.968 -9.254 296 1HB LEU 39 HB2 LEU 39 151.994 10.423 -8.265 297 2HB LEU 39 HB1 LEU 39 152.006 9.176 -7.034 298 HG LEU 39 HG LEU 39 154.010 10.664 -6.105 299 1HD1 LEU 39 HD11 LEU 39 152.255 12.849 -7.047 300 2HD1 LEU 39 HD12 LEU 39 153.384 12.150 -8.212 301 3HD1 LEU 39 HD13 LEU 39 153.987 12.849 -6.706 302 1HD2 LEU 39 HD21 LEU 39 152.405 11.681 -4.594 303 2HD2 LEU 39 HD22 LEU 39 151.978 9.997 -4.911 304 3HD2 LEU 39 HD23 LEU 39 151.090 11.299 -5.707 305 H GLN 40 HN GLN 40 155.960 9.009 -7.017 306 HA GLN 40 HA GLN 40 157.161 11.316 -8.394 307 1HB GLN 40 HB2 GLN 40 157.808 10.415 -5.584 308 2HB GLN 40 HB1 GLN 40 158.356 11.881 -6.385 309 1HG GLN 40 HG2 GLN 40 155.481 11.724 -6.336 310 2HG GLN 40 HG1 GLN 40 156.161 11.597 -4.715 311 1HE2 GLN 40 HE21 GLN 40 157.279 13.350 -3.850 312 2HE2 GLN 40 HE22 GLN 40 157.212 14.926 -4.553 313 H PHE 41 HN PHE 41 159.691 10.613 -6.846 314 HA PHE 41 HA PHE 41 161.497 9.213 -6.951 315 1HB PHE 41 HB2 PHE 41 159.539 7.403 -7.379 316 2HB PHE 41 HB1 PHE 41 160.363 7.337 -8.940 317 HD1 PHE 41 HD1 PHE 41 161.984 5.739 -9.151 318 HD2 PHE 41 HD2 PHE 41 161.284 7.452 -5.319 319 HE1 PHE 41 HE1 PHE 41 163.699 4.265 -8.182 320 HE2 PHE 41 HE2 PHE 41 162.999 5.981 -4.344 321 HZ PHE 41 HZ PHE 41 164.209 4.385 -5.777 322 H GLU 42 HN GLU 42 159.848 10.489 -9.679 323 HA GLU 42 HA GLU 42 162.040 10.064 -11.515 324 1HB GLU 42 HB2 GLU 42 159.768 10.034 -12.383 325 2HB GLU 42 HB1 GLU 42 159.486 11.660 -11.776 326 1HG GLU 42 HG2 GLU 42 159.869 11.909 -14.069 327 2HG GLU 42 HG1 GLU 42 161.372 12.403 -13.291 328 H GLU 43 HN GLU 43 160.657 12.714 -9.639 329 HA GLU 43 HA GLU 43 162.913 14.415 -10.459 330 1HB GLU 43 HB2 GLU 43 160.160 15.085 -9.436 331 2HB GLU 43 HB1 GLU 43 161.456 16.272 -9.478 332 1HG GLU 43 HG2 GLU 43 161.427 15.127 -12.021 333 2HG GLU 43 HG1 GLU 43 159.733 15.360 -11.590 334 H ARG 44 HN ARG 44 161.283 12.967 -7.728 335 HA ARG 44 HA ARG 44 163.310 14.151 -5.946 336 1HB ARG 44 HB2 ARG 44 160.621 13.056 -5.119 337 2HB ARG 44 HB1 ARG 44 161.755 13.959 -4.124 338 1HG ARG 44 HG2 ARG 44 160.323 15.061 -6.533 339 2HG ARG 44 HG1 ARG 44 159.825 15.300 -4.857 340 1HD ARG 44 HD2 ARG 44 161.163 17.069 -4.755 341 2HD ARG 44 HD1 ARG 44 162.546 15.999 -4.982 342 HE ARG 44 HE ARG 44 161.676 16.407 -7.504 343 1HH1 ARG 44 HH11 ARG 44 162.458 18.578 -4.886 344 2HH1 ARG 44 HH12 ARG 44 162.967 19.859 -5.935 345 1HH2 ARG 44 HH21 ARG 44 162.346 18.089 -8.885 346 2HH2 ARG 44 HH22 ARG 44 162.904 19.581 -8.205 347 H GLY 45 HN GLY 45 163.512 11.714 -7.616 348 1HA GLY 45 HA2 GLY 45 163.458 9.551 -5.659 349 2HA GLY 45 HA1 GLY 45 163.830 9.398 -7.372 350 H GLY 46 HN GLY 46 165.114 9.309 -4.313 351 1HA GLY 46 HA2 GLY 46 167.822 9.398 -5.413 352 2HA GLY 46 HA1 GLY 46 167.465 10.474 -4.072 353 H VAL 47 HN VAL 47 169.327 8.179 -4.326 354 HA VAL 47 HA VAL 47 168.571 6.860 -1.841 355 HB VAL 47 HB VAL 47 169.304 5.310 -4.335 356 1HG1 VAL 47 HG11 VAL 47 170.063 4.578 -1.884 357 2HG1 VAL 47 HG12 VAL 47 169.547 3.416 -3.105 358 3HG1 VAL 47 HG13 VAL 47 168.417 3.946 -1.860 359 1HG2 VAL 47 HG21 VAL 47 166.741 5.825 -2.906 360 2HG2 VAL 47 HG22 VAL 47 166.990 4.254 -3.672 361 3HG2 VAL 47 HG23 VAL 47 167.071 5.728 -4.637 362 H GLU 48 HN GLU 48 170.260 7.093 -0.534 363 HA GLU 48 HA GLU 48 172.940 7.307 -1.720 364 1HB GLU 48 HB2 GLU 48 173.561 8.360 0.466 365 2HB GLU 48 HB1 GLU 48 172.373 9.260 -0.467 366 1HG GLU 48 HG2 GLU 48 170.607 8.576 0.953 367 2HG GLU 48 HG1 GLU 48 171.626 7.379 1.752 368 H PHE 49 HN PHE 49 174.732 6.321 -0.660 369 HA PHE 49 HA PHE 49 174.006 3.778 0.614 370 1HB PHE 49 HB2 PHE 49 175.334 3.585 -1.425 371 2HB PHE 49 HB1 PHE 49 176.574 4.631 -0.739 372 HD1 PHE 49 HD1 PHE 49 174.760 1.470 0.046 373 HD2 PHE 49 HD2 PHE 49 178.413 3.645 0.219 374 HE1 PHE 49 HE1 PHE 49 175.881 -0.498 1.006 375 HE2 PHE 49 HE2 PHE 49 179.541 1.680 1.178 376 HZ PHE 49 HZ PHE 49 178.273 -0.393 1.573 377 H VAL 50 HN VAL 50 174.615 3.272 2.627 378 HA VAL 50 HA VAL 50 176.648 4.879 3.988 379 HB VAL 50 HB VAL 50 174.920 4.595 6.036 380 1HG1 VAL 50 HG11 VAL 50 174.894 6.933 4.143 381 2HG1 VAL 50 HG12 VAL 50 176.155 6.604 5.336 382 3HG1 VAL 50 HG13 VAL 50 174.504 6.948 5.865 383 1HG2 VAL 50 HG21 VAL 50 172.683 5.041 5.430 384 2HG2 VAL 50 HG22 VAL 50 173.209 3.709 4.398 385 3HG2 VAL 50 HG23 VAL 50 173.119 5.348 3.748 386 H GLU 51 HN GLU 51 177.818 3.745 5.511 387 HA GLU 51 HA GLU 51 177.772 0.945 5.364 388 1HB GLU 51 HB2 GLU 51 179.496 2.882 6.357 389 2HB GLU 51 HB1 GLU 51 179.011 1.986 7.789 390 1HG GLU 51 HG2 GLU 51 179.961 0.024 7.049 391 2HG GLU 51 HG1 GLU 51 179.900 0.510 5.356 392 H THR 52 HN THR 52 177.979 -0.125 7.791 393 HA THR 52 HA THR 52 175.239 -0.131 8.710 394 HB THR 52 HB THR 52 177.671 -1.807 9.295 395 HG1 THR 52 HG1 THR 52 176.285 -2.046 7.368 396 1HG2 THR 52 HG21 THR 52 176.485 -1.762 11.399 397 2HG2 THR 52 HG22 THR 52 176.256 -3.319 10.605 398 3HG2 THR 52 HG23 THR 52 174.963 -2.121 10.575 399 H ALA 53 HN ALA 53 174.907 -0.283 11.170 400 HA ALA 53 HA ALA 53 176.208 2.048 12.371 401 1HB ALA 53 HB1 ALA 53 174.074 0.888 13.937 402 2HB ALA 53 HB2 ALA 53 173.560 1.205 12.279 403 3HB ALA 53 HB3 ALA 53 174.219 2.513 13.262 404 H ASP 54 HN ASP 54 175.620 1.406 15.067 405 HA ASP 54 HA ASP 54 177.776 -0.489 15.591 406 1HB ASP 54 HB2 ASP 54 177.727 0.401 17.880 407 2HB ASP 54 HB1 ASP 54 177.881 1.699 16.700 408 H ASP 55 HN ASP 55 175.161 -1.403 14.684 409 HA ASP 55 HA ASP 55 173.991 -3.341 15.082 410 1HB ASP 55 HB2 ASP 55 175.902 -3.613 17.001 411 2HB ASP 55 HB1 ASP 55 174.452 -3.482 17.991 412 H TRP 56 HN TRP 56 171.933 -2.773 14.854 413 HA TRP 56 HA TRP 56 170.610 -1.554 17.174 414 1HB TRP 56 HB2 TRP 56 169.096 -0.454 15.336 415 2HB TRP 56 HB1 TRP 56 170.617 0.292 15.822 416 HD1 TRP 56 HD1 TRP 56 172.777 -0.432 14.090 417 HE1 TRP 56 HE1 TRP 56 172.717 -0.443 11.515 418 HE3 TRP 56 HE3 TRP 56 167.736 -0.768 13.410 419 HZ2 TRP 56 HZ2 TRP 56 170.775 -0.568 9.466 420 HZ3 TRP 56 HZ3 TRP 56 166.847 -0.840 11.119 421 HH2 TRP 56 HH2 TRP 56 168.330 -0.752 9.190 422 H GLU 57 HN GLU 57 170.234 -3.901 17.490 423 HA GLU 57 HA GLU 57 168.262 -5.198 15.808 424 1HB GLU 57 HB2 GLU 57 169.095 -6.073 18.571 425 2HB GLU 57 HB1 GLU 57 168.507 -7.063 17.246 426 1HG GLU 57 HG2 GLU 57 170.574 -6.653 16.017 427 2HG GLU 57 HG1 GLU 57 171.163 -5.653 17.343 428 H GLU 58 HN GLU 58 167.089 -2.896 16.435 429 HA GLU 58 HA GLU 58 165.190 -3.562 18.586 430 1HB GLU 58 HB2 GLU 58 166.848 -1.373 18.511 431 2HB GLU 58 HB1 GLU 58 165.354 -0.731 17.844 432 1HG GLU 58 HG2 GLU 58 164.660 -0.441 19.925 433 2HG GLU 58 HG1 GLU 58 164.542 -2.195 20.053 434 H GLU 59 HN GLU 59 165.526 -1.769 15.526 435 HA GLU 59 HA GLU 59 162.654 -1.790 15.140 436 1HB GLU 59 HB2 GLU 59 163.141 -0.636 13.005 437 2HB GLU 59 HB1 GLU 59 163.840 0.179 14.396 438 1HG GLU 59 HG2 GLU 59 165.951 -1.243 13.745 439 2HG GLU 59 HG1 GLU 59 165.170 -1.257 12.166 440 H ILE 60 HN ILE 60 165.484 -3.138 13.423 441 HA ILE 60 HA ILE 60 163.778 -4.874 11.859 442 HB ILE 60 HB ILE 60 166.026 -5.874 11.133 443 1HG1 ILE 60 HG12 ILE 60 167.028 -3.388 12.541 444 2HG1 ILE 60 HG11 ILE 60 167.370 -5.055 13.012 445 1HG2 ILE 60 HG21 ILE 60 164.724 -4.345 9.754 446 2HG2 ILE 60 HG22 ILE 60 166.453 -4.034 9.580 447 3HG2 ILE 60 HG23 ILE 60 165.458 -2.967 10.573 448 1HD1 ILE 60 HD11 ILE 60 168.139 -3.885 10.356 449 2HD1 ILE 60 HD12 ILE 60 168.661 -5.416 11.058 450 3HD1 ILE 60 HD13 ILE 60 169.193 -3.888 11.771 451 H GLY 61 HN GLY 61 165.871 -5.071 14.670 452 1HA GLY 61 HA2 GLY 61 165.665 -6.606 16.421 453 2HA GLY 61 HA1 GLY 61 164.631 -7.595 15.404 454 H VAL 62 HN VAL 62 166.379 -7.855 13.197 455 HA VAL 62 HA VAL 62 167.823 -10.111 13.931 456 HB VAL 62 HB VAL 62 167.064 -9.382 11.595 457 1HG1 VAL 62 HG11 VAL 62 168.243 -7.220 11.604 458 2HG1 VAL 62 HG12 VAL 62 168.654 -8.227 10.217 459 3HG1 VAL 62 HG13 VAL 62 169.779 -8.086 11.567 460 1HG2 VAL 62 HG21 VAL 62 168.650 -11.339 12.376 461 2HG2 VAL 62 HG22 VAL 62 169.848 -10.415 11.469 462 3HG2 VAL 62 HG23 VAL 62 168.389 -10.996 10.666 463 H LEU 63 HN LEU 63 170.107 -10.529 13.961 464 HA LEU 63 HA LEU 63 171.559 -8.621 15.491 465 1HB LEU 63 HB2 LEU 63 172.379 -11.213 14.186 466 2HB LEU 63 HB1 LEU 63 173.451 -10.260 15.194 467 HG LEU 63 HG LEU 63 171.014 -10.709 16.626 468 1HD1 LEU 63 HD11 LEU 63 170.639 -12.637 15.233 469 2HD1 LEU 63 HD12 LEU 63 171.154 -13.165 16.834 470 3HD1 LEU 63 HD13 LEU 63 172.294 -13.189 15.489 471 1HD2 LEU 63 HD21 LEU 63 173.878 -11.565 16.970 472 2HD2 LEU 63 HD22 LEU 63 172.620 -11.905 18.159 473 3HD2 LEU 63 HD23 LEU 63 173.034 -10.236 17.766 474 H ILE 64 HN ILE 64 172.644 -6.934 14.765 475 HA ILE 64 HA ILE 64 173.368 -6.815 11.929 476 HB ILE 64 HB ILE 64 173.702 -4.479 13.753 477 1HG1 ILE 64 HG12 ILE 64 171.511 -5.242 14.396 478 2HG1 ILE 64 HG11 ILE 64 171.313 -3.861 13.320 479 1HG2 ILE 64 HG21 ILE 64 172.852 -3.313 11.680 480 2HG2 ILE 64 HG22 ILE 64 172.977 -4.874 10.868 481 3HG2 ILE 64 HG23 ILE 64 174.419 -4.112 11.540 482 1HD1 ILE 64 HD11 ILE 64 171.096 -6.732 12.457 483 2HD1 ILE 64 HD12 ILE 64 170.742 -5.300 11.494 484 3HD1 ILE 64 HD13 ILE 64 169.732 -5.702 12.884 485 H ASP 65 HN ASP 65 175.428 -5.847 11.319 486 HA ASP 65 HA ASP 65 177.568 -5.999 13.284 487 1HB ASP 65 HB2 ASP 65 177.116 -7.994 11.177 488 2HB ASP 65 HB1 ASP 65 178.745 -7.327 11.188 489 HA PRO 66 HA PRO 66 178.467 -2.342 10.840 490 1HB PRO 66 HB2 PRO 66 180.815 -1.736 12.116 491 2HB PRO 66 HB1 PRO 66 179.213 -1.280 12.712 492 1HG PRO 66 HG2 PRO 66 180.952 -3.577 13.518 493 2HG PRO 66 HG1 PRO 66 179.965 -2.507 14.530 494 1HD PRO 66 HD2 PRO 66 179.150 -4.983 13.876 495 2HD PRO 66 HD1 PRO 66 178.005 -3.634 14.030 496 H GLU 67 HN GLU 67 179.920 -1.756 9.222 497 HA GLU 67 HA GLU 67 181.476 -2.026 7.585 498 1HB GLU 67 HB2 GLU 67 182.702 -3.244 9.915 499 2HB GLU 67 HB1 GLU 67 183.200 -4.058 8.439 500 1HG GLU 67 HG2 GLU 67 184.371 -2.281 7.688 501 2HG GLU 67 HG1 GLU 67 183.259 -1.109 8.394 502 H GLU 68 HN GLU 68 181.162 -5.280 9.017 503 HA GLU 68 HA GLU 68 181.274 -6.742 6.686 504 1HB GLU 68 HB2 GLU 68 180.152 -7.197 9.394 505 2HB GLU 68 HB1 GLU 68 179.630 -8.303 8.123 506 1HG GLU 68 HG2 GLU 68 181.588 -9.360 8.087 507 2HG GLU 68 HG1 GLU 68 182.502 -7.846 8.127 508 H TYR 69 HN TYR 69 178.651 -4.834 7.895 509 HA TYR 69 HA TYR 69 176.877 -5.920 5.806 510 1HB TYR 69 HB2 TYR 69 176.290 -4.579 8.440 511 2HB TYR 69 HB1 TYR 69 175.067 -4.691 7.171 512 HD1 TYR 69 HD1 TYR 69 173.489 -6.147 8.061 513 HD2 TYR 69 HD2 TYR 69 177.593 -7.243 8.207 514 HE1 TYR 69 HE1 TYR 69 172.857 -8.380 8.861 515 HE2 TYR 69 HE2 TYR 69 176.974 -9.481 9.003 516 HH TYR 69 HH TYR 69 174.990 -10.508 10.247 517 H ALA 70 HN ALA 70 175.725 -4.492 4.464 518 HA ALA 70 HA ALA 70 176.793 -1.742 4.378 519 1HB ALA 70 HB1 ALA 70 176.675 -3.787 2.332 520 2HB ALA 70 HB2 ALA 70 177.532 -2.246 2.335 521 3HB ALA 70 HB3 ALA 70 175.844 -2.316 1.827 522 H GLU 71 HN GLU 71 175.310 -0.187 4.683 523 HA GLU 71 HA GLU 71 172.489 -0.941 4.466 524 1HB GLU 71 HB2 GLU 71 172.865 -0.132 6.622 525 2HB GLU 71 HB1 GLU 71 173.977 1.108 6.073 526 1HG GLU 71 HG2 GLU 71 172.000 2.279 5.043 527 2HG GLU 71 HG1 GLU 71 170.973 1.115 5.880 528 H VAL 72 HN VAL 72 171.021 0.240 3.312 529 HA VAL 72 HA VAL 72 172.031 2.430 1.637 530 HB VAL 72 HB VAL 72 170.820 -0.130 0.735 531 1HG1 VAL 72 HG11 VAL 72 169.976 2.539 -0.326 532 2HG1 VAL 72 HG12 VAL 72 169.001 1.106 -0.004 533 3HG1 VAL 72 HG13 VAL 72 170.079 1.143 -1.399 534 1HG2 VAL 72 HG21 VAL 72 172.192 0.487 -1.298 535 2HG2 VAL 72 HG22 VAL 72 173.090 0.229 0.198 536 3HG2 VAL 72 HG23 VAL 72 172.773 1.869 -0.369 537 H TRP 73 HN TRP 73 170.582 4.090 1.310 538 HA TRP 73 HA TRP 73 168.012 3.806 2.722 539 1HB TRP 73 HB2 TRP 73 169.961 6.075 2.555 540 2HB TRP 73 HB1 TRP 73 168.254 6.416 2.824 541 HD1 TRP 73 HD1 TRP 73 169.612 3.261 4.403 542 HE1 TRP 73 HE1 TRP 73 169.748 3.572 6.949 543 HE3 TRP 73 HE3 TRP 73 168.677 8.283 4.660 544 HZ2 TRP 73 HZ2 TRP 73 169.495 5.655 8.816 545 HZ3 TRP 73 HZ3 TRP 73 168.642 9.358 6.874 546 HH2 TRP 73 HH2 TRP 73 169.044 8.070 8.910 547 H VAL 74 HN VAL 74 166.183 4.225 1.670 548 HA VAL 74 HA VAL 74 166.356 5.458 -0.999 549 HB VAL 74 HB VAL 74 164.529 3.191 -0.188 550 1HG1 VAL 74 HG11 VAL 74 163.319 3.625 -1.996 551 2HG1 VAL 74 HG12 VAL 74 164.759 3.629 -3.015 552 3HG1 VAL 74 HG13 VAL 74 164.243 5.112 -2.210 553 1HG2 VAL 74 HG21 VAL 74 166.491 2.817 -2.351 554 2HG2 VAL 74 HG22 VAL 74 165.967 1.706 -1.086 555 3HG2 VAL 74 HG23 VAL 74 167.163 2.948 -0.726 556 H GLY 75 HN GLY 75 165.642 7.457 -0.451 557 1HA GLY 75 HA2 GLY 75 162.921 7.596 0.704 558 2HA GLY 75 HA1 GLY 75 164.181 8.732 1.150 559 H LEU 76 HN LEU 76 163.534 10.628 0.429 560 HA LEU 76 HA LEU 76 163.065 10.927 -2.448 561 1HB LEU 76 HB2 LEU 76 160.966 11.070 -0.551 562 2HB LEU 76 HB1 LEU 76 161.313 12.723 -1.020 563 HG LEU 76 HG LEU 76 160.888 12.208 -3.339 564 1HD1 LEU 76 HD11 LEU 76 161.142 9.457 -2.394 565 2HD1 LEU 76 HD12 LEU 76 161.404 10.136 -4.001 566 3HD1 LEU 76 HD13 LEU 76 159.773 9.720 -3.472 567 1HD2 LEU 76 HD21 LEU 76 158.482 10.992 -2.708 568 2HD2 LEU 76 HD22 LEU 76 158.807 12.725 -2.746 569 3HD2 LEU 76 HD23 LEU 76 158.941 11.835 -1.229 570 H VAL 77 HN VAL 77 165.195 11.780 -2.414 571 HA VAL 77 HA VAL 77 166.023 13.923 -0.793 572 HB VAL 77 HB VAL 77 167.852 14.224 -2.400 573 1HG1 VAL 77 HG11 VAL 77 168.400 11.585 -2.454 574 2HG1 VAL 77 HG12 VAL 77 167.116 11.617 -1.247 575 3HG1 VAL 77 HG13 VAL 77 168.566 12.593 -1.017 576 1HG2 VAL 77 HG21 VAL 77 167.948 12.610 -4.344 577 2HG2 VAL 77 HG22 VAL 77 166.797 13.937 -4.500 578 3HG2 VAL 77 HG23 VAL 77 166.228 12.324 -4.075 579 H ASN 78 HN ASN 78 166.929 15.976 -2.008 580 HA ASN 78 HA ASN 78 164.662 17.178 -3.456 581 1HB ASN 78 HB2 ASN 78 166.545 18.328 -1.404 582 2HB ASN 78 HB1 ASN 78 165.631 19.366 -2.491 583 1HD2 ASN 78 HD21 ASN 78 165.632 18.445 0.513 584 2HD2 ASN 78 HD22 ASN 78 163.942 18.297 0.842 585 H GLU 79 HN GLU 79 165.769 19.484 -4.352 586 HA GLU 79 HA GLU 79 167.243 18.636 -6.607 587 1HB GLU 79 HB2 GLU 79 166.880 21.443 -5.546 588 2HB GLU 79 HB1 GLU 79 167.389 21.009 -7.172 589 1HG GLU 79 HG2 GLU 79 165.296 20.722 -7.853 590 2HG GLU 79 HG1 GLU 79 164.890 19.740 -6.446 591 H GLN 80 HN GLN 80 168.222 19.450 -3.442 592 HA GLN 80 HA GLN 80 170.948 20.095 -4.278 593 1HB GLN 80 HB2 GLN 80 171.257 20.473 -1.773 594 2HB GLN 80 HB1 GLN 80 170.196 21.590 -2.625 595 1HG GLN 80 HG2 GLN 80 168.248 20.475 -1.780 596 2HG GLN 80 HG1 GLN 80 169.239 19.210 -1.053 597 1HE2 GLN 80 HE21 GLN 80 168.257 22.550 -0.867 598 2HE2 GLN 80 HE22 GLN 80 168.766 22.816 0.763 599 H ASP 81 HN ASP 81 169.753 17.391 -4.503 600 HA ASP 81 HA ASP 81 170.147 15.199 -3.935 601 1HB ASP 81 HB2 ASP 81 172.742 16.552 -4.439 602 2HB ASP 81 HB1 ASP 81 172.808 14.916 -3.790 603 H GLU 82 HN GLU 82 169.240 16.146 -1.669 604 HA GLU 82 HA GLU 82 170.947 14.882 0.338 605 1HB GLU 82 HB2 GLU 82 169.867 17.689 0.506 606 2HB GLU 82 HB1 GLU 82 170.324 16.773 1.935 607 1HG GLU 82 HG2 GLU 82 172.496 16.545 0.208 608 2HG GLU 82 HG1 GLU 82 171.973 18.223 0.075 609 H MET 83 HN MET 83 169.640 13.214 0.857 610 HA MET 83 HA MET 83 166.812 13.369 0.866 611 1HB MET 83 HB2 MET 83 168.263 11.301 0.541 612 2HB MET 83 HB1 MET 83 168.476 11.297 2.286 613 1HG MET 83 HG2 MET 83 166.028 11.137 2.548 614 2HG MET 83 HG1 MET 83 165.877 11.033 0.794 615 1HE MET 83 HE1 MET 83 168.621 9.318 0.257 616 2HE MET 83 HE2 MET 83 167.116 9.069 -0.630 617 3HE MET 83 HE3 MET 83 167.930 7.700 0.129 618 H ASP 84 HN ASP 84 165.584 14.332 2.314 619 HA ASP 84 HA ASP 84 166.549 14.521 5.094 620 1HB ASP 84 HB2 ASP 84 164.397 16.298 3.976 621 2HB ASP 84 HB1 ASP 84 165.466 16.581 5.345 622 H ASP 85 HN ASP 85 164.930 12.392 3.622 623 HA ASP 85 HA ASP 85 163.247 11.667 5.744 624 1HB ASP 85 HB2 ASP 85 162.035 13.295 3.597 625 2HB ASP 85 HB1 ASP 85 161.168 11.802 3.978 626 H VAL 86 HN VAL 86 163.905 9.608 5.606 627 HA VAL 86 HA VAL 86 164.112 8.293 3.024 628 HB VAL 86 HB VAL 86 165.933 7.811 4.459 629 1HG1 VAL 86 HG11 VAL 86 165.524 6.720 6.713 630 2HG1 VAL 86 HG12 VAL 86 163.852 7.255 6.550 631 3HG1 VAL 86 HG13 VAL 86 165.158 8.440 6.585 632 1HG2 VAL 86 HG21 VAL 86 164.093 5.426 4.613 633 2HG2 VAL 86 HG22 VAL 86 165.854 5.406 4.707 634 3HG2 VAL 86 HG23 VAL 86 165.057 5.878 3.206 635 H PHE 87 HN PHE 87 162.918 6.581 2.340 636 HA PHE 87 HA PHE 87 160.327 6.214 3.620 637 1HB PHE 87 HB2 PHE 87 161.486 5.586 0.933 638 2HB PHE 87 HB1 PHE 87 160.098 4.660 1.488 639 HD1 PHE 87 HD1 PHE 87 158.237 6.303 2.607 640 HD2 PHE 87 HD2 PHE 87 161.003 7.323 -0.456 641 HE1 PHE 87 HE1 PHE 87 156.727 8.085 1.848 642 HE2 PHE 87 HE2 PHE 87 159.504 9.117 -1.222 643 HZ PHE 87 HZ PHE 87 157.362 9.504 -0.070 644 H ALA 88 HN ALA 88 163.279 4.506 2.901 645 HA ALA 88 HA ALA 88 162.802 2.554 4.922 646 1HB ALA 88 HB1 ALA 88 161.386 1.673 3.084 647 2HB ALA 88 HB2 ALA 88 162.688 0.579 3.550 648 3HB ALA 88 HB3 ALA 88 162.831 1.543 2.079 649 H LYS 89 HN LYS 89 164.625 0.928 4.996 650 HA LYS 89 HA LYS 89 167.049 1.914 3.671 651 1HB LYS 89 HB2 LYS 89 167.392 0.869 6.416 652 2HB LYS 89 HB1 LYS 89 168.230 2.175 5.601 653 1HG LYS 89 HG2 LYS 89 166.516 3.721 6.102 654 2HG LYS 89 HG1 LYS 89 165.414 2.440 6.612 655 1HD LYS 89 HD2 LYS 89 167.224 1.916 8.385 656 2HD LYS 89 HD1 LYS 89 167.820 3.535 8.019 657 1HE LYS 89 HE2 LYS 89 165.815 4.547 8.728 658 2HE LYS 89 HE1 LYS 89 164.946 3.013 8.720 659 1HZ LYS 89 HZ1 LYS 89 165.431 2.834 10.860 660 2HZ LYS 89 HZ2 LYS 89 166.409 4.213 10.821 661 3HZ LYS 89 HZ3 LYS 89 167.071 2.698 10.466 662 H PHE 90 HN PHE 90 168.571 0.271 3.184 663 HA PHE 90 HA PHE 90 167.621 -2.465 3.718 664 1HB PHE 90 HB2 PHE 90 168.915 -1.523 1.153 665 2HB PHE 90 HB1 PHE 90 168.287 -3.134 1.486 666 HD1 PHE 90 HD1 PHE 90 167.134 0.415 1.485 667 HD2 PHE 90 HD2 PHE 90 166.205 -3.659 0.683 668 HE1 PHE 90 HE1 PHE 90 164.938 1.093 0.605 669 HE2 PHE 90 HE2 PHE 90 164.009 -2.988 -0.200 670 HZ PHE 90 HZ PHE 90 163.373 -0.612 -0.238 671 H LEU 91 HN LEU 91 169.070 -3.830 4.548 672 HA LEU 91 HA LEU 91 171.887 -2.983 4.597 673 1HB LEU 91 HB2 LEU 91 170.736 -5.004 6.477 674 2HB LEU 91 HB1 LEU 91 172.137 -3.970 6.686 675 HG LEU 91 HG LEU 91 169.337 -2.864 6.621 676 1HD1 LEU 91 HD11 LEU 91 170.900 -3.641 9.078 677 2HD1 LEU 91 HD12 LEU 91 169.580 -4.585 8.394 678 3HD1 LEU 91 HD13 LEU 91 169.269 -2.969 9.008 679 1HD2 LEU 91 HD21 LEU 91 171.387 -1.403 6.275 680 2HD2 LEU 91 HD22 LEU 91 171.797 -1.763 7.952 681 3HD2 LEU 91 HD23 LEU 91 170.288 -0.933 7.572 682 H ILE 92 HN ILE 92 173.422 -4.352 3.791 683 HA ILE 92 HA ILE 92 172.609 -7.086 3.114 684 HB ILE 92 HB ILE 92 174.136 -6.531 0.942 685 1HG1 ILE 92 HG12 ILE 92 173.906 -4.038 1.848 686 2HG1 ILE 92 HG11 ILE 92 173.936 -4.406 0.128 687 1HG2 ILE 92 HG21 ILE 92 171.153 -6.242 1.214 688 2HG2 ILE 92 HG22 ILE 92 172.055 -7.717 0.865 689 3HG2 ILE 92 HG23 ILE 92 172.010 -6.410 -0.318 690 1HD1 ILE 92 HD11 ILE 92 172.198 -2.796 0.696 691 2HD1 ILE 92 HD12 ILE 92 171.460 -3.979 1.777 692 3HD1 ILE 92 HD13 ILE 92 171.522 -4.288 0.043 693 H SER 93 HN SER 93 174.049 -8.502 3.790 694 HA SER 93 HA SER 93 176.433 -7.870 5.071 695 1HB SER 93 HB2 SER 93 174.979 -10.211 4.523 696 2HB SER 93 HB1 SER 93 176.594 -10.502 3.879 697 HG SER 93 HG SER 93 176.284 -11.044 6.147 698 H HIS 94 HN HIS 94 178.654 -8.310 4.458 699 HA HIS 94 HA HIS 94 179.131 -7.651 1.636 700 1HB HIS 94 HB2 HIS 94 180.837 -7.319 4.107 701 2HB HIS 94 HB1 HIS 94 181.455 -7.074 2.475 702 HD1 HIS 94 HD1 HIS 94 181.495 -4.708 1.872 703 HD2 HIS 94 HD2 HIS 94 178.333 -5.549 4.417 704 HE1 HIS 94 HE1 HIS 94 180.347 -2.507 2.259 705 HE2 HIS 94 HE2 HIS 94 178.554 -3.018 3.950 706 H ARG 95 HN ARG 95 178.600 -10.384 2.807 707 HA ARG 95 HA ARG 95 181.129 -11.759 2.438 708 1HB ARG 95 HB2 ARG 95 178.380 -12.562 3.304 709 2HB ARG 95 HB1 ARG 95 179.496 -13.797 2.737 710 1HG ARG 95 HG2 ARG 95 179.752 -13.766 5.058 711 2HG ARG 95 HG1 ARG 95 181.141 -12.870 4.439 712 1HD ARG 95 HD2 ARG 95 180.014 -10.765 4.912 713 2HD ARG 95 HD1 ARG 95 178.591 -11.638 5.479 714 HE ARG 95 HE ARG 95 180.994 -11.131 6.941 715 1HH1 ARG 95 HH11 ARG 95 178.341 -13.368 6.572 716 2HH1 ARG 95 HH12 ARG 95 178.453 -13.962 8.194 717 1HH2 ARG 95 HH21 ARG 95 181.143 -11.912 9.075 718 2HH2 ARG 95 HH22 ARG 95 180.044 -13.136 9.616 719 H GLU 96 HN GLU 96 181.561 -13.275 0.837 720 HA GLU 96 HA GLU 96 180.539 -12.653 -1.737 721 1HB GLU 96 HB2 GLU 96 182.847 -13.700 -0.904 722 2HB GLU 96 HB1 GLU 96 182.010 -15.200 -1.281 723 1HG GLU 96 HG2 GLU 96 183.199 -14.646 -3.217 724 2HG GLU 96 HG1 GLU 96 181.528 -14.197 -3.555 725 H GLU 97 HN GLU 97 180.446 -15.732 0.076 726 HA GLU 97 HA GLU 97 178.166 -16.578 -1.537 727 1HB GLU 97 HB2 GLU 97 178.532 -18.781 -0.588 728 2HB GLU 97 HB1 GLU 97 180.051 -18.141 -1.199 729 1HG GLU 97 HG2 GLU 97 179.405 -17.706 1.664 730 2HG GLU 97 HG1 GLU 97 179.875 -19.324 1.149 731 H ASP 98 HN ASP 98 176.277 -17.523 -0.486 732 HA ASP 98 HA ASP 98 174.428 -17.161 0.819 733 1HB ASP 98 HB2 ASP 98 176.650 -18.012 2.573 734 2HB ASP 98 HB1 ASP 98 175.246 -17.339 3.397 735 H ARG 99 HN ARG 99 173.818 -15.048 0.425 736 HA ARG 99 HA ARG 99 174.879 -13.017 2.273 737 1HB ARG 99 HB2 ARG 99 174.071 -11.349 0.627 738 2HB ARG 99 HB1 ARG 99 175.291 -12.436 -0.036 739 1HG ARG 99 HG2 ARG 99 173.918 -12.871 -1.714 740 2HG ARG 99 HG1 ARG 99 172.817 -13.641 -0.570 741 1HD ARG 99 HD2 ARG 99 171.853 -11.363 -0.124 742 2HD ARG 99 HD1 ARG 99 172.821 -10.767 -1.475 743 HE ARG 99 HE ARG 99 171.214 -13.010 -2.206 744 1HH1 ARG 99 HH11 ARG 99 171.143 -9.560 -1.684 745 2HH1 ARG 99 HH12 ARG 99 169.801 -9.301 -2.747 746 1HH2 ARG 99 HH21 ARG 99 169.449 -12.671 -3.605 747 2HH2 ARG 99 HH22 ARG 99 168.839 -11.067 -3.838 748 H GLU 100 HN GLU 100 173.434 -11.548 3.252 749 HA GLU 100 HA GLU 100 170.603 -12.349 3.231 750 1HB GLU 100 HB2 GLU 100 171.840 -11.393 5.779 751 2HB GLU 100 HB1 GLU 100 170.444 -12.433 5.539 752 1HG GLU 100 HG2 GLU 100 171.803 -14.315 5.092 753 2HG GLU 100 HG1 GLU 100 173.251 -13.320 4.937 754 H PHE 101 HN PHE 101 169.126 -10.698 3.345 755 HA PHE 101 HA PHE 101 170.140 -7.982 3.742 756 1HB PHE 101 HB2 PHE 101 169.151 -7.138 1.750 757 2HB PHE 101 HB1 PHE 101 170.067 -8.564 1.279 758 HD1 PHE 101 HD1 PHE 101 166.849 -6.982 1.350 759 HD2 PHE 101 HD2 PHE 101 168.832 -10.717 0.875 760 HE1 PHE 101 HE1 PHE 101 164.832 -7.914 0.295 761 HE2 PHE 101 HE2 PHE 101 166.818 -11.656 -0.182 762 HZ PHE 101 HZ PHE 101 164.814 -10.253 -0.473 763 H HIS 102 HN HIS 102 168.700 -6.540 4.618 764 HA HIS 102 HA HIS 102 165.955 -7.431 5.074 765 1HB HIS 102 HB2 HIS 102 166.513 -6.186 7.462 766 2HB HIS 102 HB1 HIS 102 166.419 -7.923 7.220 767 HD1 HIS 102 HD1 HIS 102 168.281 -6.089 9.217 768 HD2 HIS 102 HD2 HIS 102 169.463 -8.344 5.935 769 HE1 HIS 102 HE1 HIS 102 170.712 -6.609 9.592 770 HE2 HIS 102 HE2 HIS 102 171.424 -7.894 7.549 771 H VAL 103 HN VAL 103 164.543 -5.608 5.815 772 HA VAL 103 HA VAL 103 165.596 -2.952 5.246 773 HB VAL 103 HB VAL 103 164.938 -3.857 3.041 774 1HG1 VAL 103 HG11 VAL 103 162.155 -3.878 4.208 775 2HG1 VAL 103 HG12 VAL 103 163.109 -5.302 3.784 776 3HG1 VAL 103 HG13 VAL 103 162.576 -4.189 2.523 777 1HG2 VAL 103 HG21 VAL 103 163.766 -1.433 4.254 778 2HG2 VAL 103 HG22 VAL 103 163.113 -1.923 2.694 779 3HG2 VAL 103 HG23 VAL 103 164.838 -1.604 2.867 780 H ILE 104 HN ILE 104 164.473 -1.275 6.104 781 HA ILE 104 HA ILE 104 162.132 -1.972 7.753 782 HB ILE 104 HB ILE 104 162.755 0.335 8.847 783 1HG1 ILE 104 HG12 ILE 104 164.687 0.522 7.099 784 2HG1 ILE 104 HG11 ILE 104 164.978 1.014 8.763 785 1HG2 ILE 104 HG21 ILE 104 164.250 -0.952 10.445 786 2HG2 ILE 104 HG22 ILE 104 164.017 -2.330 9.368 787 3HG2 ILE 104 HG23 ILE 104 162.628 -1.587 10.161 788 1HD1 ILE 104 HD11 ILE 104 166.680 -0.489 7.450 789 2HD1 ILE 104 HD12 ILE 104 165.610 -1.782 7.991 790 3HD1 ILE 104 HD13 ILE 104 166.385 -0.725 9.172 791 H TRP 105 HN TRP 105 160.264 -0.854 7.519 792 HA TRP 105 HA TRP 105 160.245 1.279 5.481 793 1HB TRP 105 HB2 TRP 105 157.899 -0.504 6.129 794 2HB TRP 105 HB1 TRP 105 158.083 0.582 4.760 795 HD1 TRP 105 HD1 TRP 105 158.933 -2.919 5.932 796 HE1 TRP 105 HE1 TRP 105 159.959 -4.244 3.978 797 HE3 TRP 105 HE3 TRP 105 159.592 0.904 2.596 798 HZ2 TRP 105 HZ2 TRP 105 160.908 -3.735 1.366 799 HZ3 TRP 105 HZ3 TRP 105 160.536 0.408 0.405 800 HH2 TRP 105 HH2 TRP 105 161.199 -1.868 -0.206 801 H LYS 106 HN LYS 106 158.860 3.050 5.787 802 HA LYS 106 HA LYS 106 158.680 4.007 8.419 803 1HB LYS 106 HB2 LYS 106 158.342 5.049 5.846 804 2HB LYS 106 HB1 LYS 106 156.789 5.293 6.633 805 1HG LYS 106 HG2 LYS 106 159.097 6.022 8.279 806 2HG LYS 106 HG1 LYS 106 158.917 6.976 6.806 807 1HD LYS 106 HD2 LYS 106 156.393 6.578 8.201 808 2HD LYS 106 HD1 LYS 106 157.598 7.397 9.196 809 1HE LYS 106 HE2 LYS 106 157.655 8.495 6.557 810 2HE LYS 106 HE1 LYS 106 155.992 8.484 7.143 811 1HZ LYS 106 HZ1 LYS 106 157.032 10.523 7.782 812 2HZ LYS 106 HZ2 LYS 106 158.339 9.711 8.484 813 3HZ LYS 106 HZ3 LYS 106 156.801 9.595 9.178 814 H LYS 107 HN LYS 107 156.826 4.490 9.700 815 HA LYS 107 HA LYS 107 154.766 2.436 9.488 816 1HB LYS 107 HB2 LYS 107 155.134 4.443 11.711 817 2HB LYS 107 HB1 LYS 107 154.226 2.939 11.764 818 1HG LYS 107 HG2 LYS 107 156.018 1.914 12.551 819 2HG LYS 107 HG1 LYS 107 156.861 2.262 11.041 820 1HD LYS 107 HD2 LYS 107 157.430 4.519 12.015 821 2HD LYS 107 HD1 LYS 107 156.810 3.921 13.555 822 1HE LYS 107 HE2 LYS 107 158.436 2.019 13.359 823 2HE LYS 107 HE1 LYS 107 159.134 2.846 11.967 824 1HZ LYS 107 HZ1 LYS 107 159.418 4.805 13.525 825 2HZ LYS 107 HZ2 LYS 107 160.437 3.479 13.783 826 3HZ LYS 107 HZ3 LYS 107 159.101 3.726 14.791 Start of MODEL 13 1 H MET 1 HT1 MET 1 197.632 -7.652 5.046 2 HA MET 1 HA MET 1 196.900 -8.378 7.789 3 1HB MET 1 HB2 MET 1 196.138 -6.046 8.051 4 2HB MET 1 HB1 MET 1 197.882 -6.149 7.852 5 1HG MET 1 HG2 MET 1 197.804 -5.295 5.683 6 2HG MET 1 HG1 MET 1 196.078 -5.611 5.524 7 1HE MET 1 HE1 MET 1 198.868 -3.782 6.912 8 2HE MET 1 HE2 MET 1 198.230 -2.502 7.945 9 3HE MET 1 HE3 MET 1 198.371 -2.244 6.206 10 H THR 2 HN THR 2 196.170 -9.446 5.158 11 HA THR 2 HA THR 2 193.636 -8.334 4.430 12 HB THR 2 HB THR 2 195.312 -10.637 3.575 13 HG1 THR 2 HG1 THR 2 194.915 -9.716 1.575 14 1HG2 THR 2 HG21 THR 2 192.391 -10.536 2.840 15 2HG2 THR 2 HG22 THR 2 193.147 -11.757 3.864 16 3HG2 THR 2 HG23 THR 2 193.613 -11.616 2.170 17 H THR 3 HN THR 3 191.676 -8.787 5.217 18 HA THR 3 HA THR 3 191.479 -10.737 7.381 19 HB THR 3 HB THR 3 189.612 -9.576 8.143 20 HG1 THR 3 HG1 THR 3 189.278 -8.570 5.515 21 1HG2 THR 3 HG21 THR 3 191.300 -7.980 8.454 22 2HG2 THR 3 HG22 THR 3 189.957 -7.098 7.728 23 3HG2 THR 3 HG23 THR 3 191.340 -7.565 6.740 24 H GLU 4 HN GLU 4 190.759 -10.496 4.070 25 HA GLU 4 HA GLU 4 189.892 -12.045 2.636 26 1HB GLU 4 HB2 GLU 4 188.906 -13.649 4.991 27 2HB GLU 4 HB1 GLU 4 189.203 -14.205 3.351 28 1HG GLU 4 HG2 GLU 4 191.506 -13.076 4.824 29 2HG GLU 4 HG1 GLU 4 190.894 -14.642 5.354 30 H ILE 5 HN ILE 5 188.447 -9.808 4.058 31 HA ILE 5 HA ILE 5 185.735 -10.617 3.253 32 HB ILE 5 HB ILE 5 186.211 -8.663 5.488 33 1HG1 ILE 5 HG12 ILE 5 187.234 -10.733 6.229 34 2HG1 ILE 5 HG11 ILE 5 185.699 -10.521 7.064 35 1HG2 ILE 5 HG21 ILE 5 183.830 -9.825 5.964 36 2HG2 ILE 5 HG22 ILE 5 183.895 -9.955 4.207 37 3HG2 ILE 5 HG23 ILE 5 184.034 -8.376 4.980 38 1HD1 ILE 5 HD11 ILE 5 186.587 -12.655 5.336 39 2HD1 ILE 5 HD12 ILE 5 185.042 -11.984 4.812 40 3HD1 ILE 5 HD13 ILE 5 185.226 -12.597 6.456 41 H LYS 6 HN LYS 6 184.842 -9.315 1.779 42 HA LYS 6 HA LYS 6 185.879 -6.574 1.517 43 1HB LYS 6 HB2 LYS 6 185.297 -8.502 -0.737 44 2HB LYS 6 HB1 LYS 6 185.692 -6.802 -0.947 45 1HG LYS 6 HG2 LYS 6 187.814 -7.484 0.469 46 2HG LYS 6 HG1 LYS 6 187.436 -9.078 -0.187 47 1HD LYS 6 HD2 LYS 6 187.403 -6.826 -2.101 48 2HD LYS 6 HD1 LYS 6 188.981 -7.285 -1.457 49 1HE LYS 6 HE2 LYS 6 188.907 -9.383 -2.404 50 2HE LYS 6 HE1 LYS 6 187.145 -9.407 -2.468 51 1HZ LYS 6 HZ1 LYS 6 187.542 -9.011 -4.637 52 2HZ LYS 6 HZ2 LYS 6 189.057 -8.309 -4.365 53 3HZ LYS 6 HZ3 LYS 6 187.649 -7.402 -4.124 54 H LYS 7 HN LYS 7 184.420 -5.116 0.337 55 HA LYS 7 HA LYS 7 181.637 -5.702 1.032 56 1HB LYS 7 HB2 LYS 7 182.916 -3.072 0.261 57 2HB LYS 7 HB1 LYS 7 181.274 -3.292 0.849 58 1HG LYS 7 HG2 LYS 7 182.456 -4.353 2.917 59 2HG LYS 7 HG1 LYS 7 183.855 -3.441 2.332 60 1HD LYS 7 HD2 LYS 7 181.407 -1.861 2.361 61 2HD LYS 7 HD1 LYS 7 181.839 -2.477 3.957 62 1HE LYS 7 HE2 LYS 7 183.704 -1.204 4.091 63 2HE LYS 7 HE1 LYS 7 184.048 -1.340 2.368 64 1HZ LYS 7 HZ1 LYS 7 182.583 0.689 3.795 65 2HZ LYS 7 HZ2 LYS 7 181.797 0.143 2.401 66 3HZ LYS 7 HZ3 LYS 7 183.364 0.770 2.296 67 H LEU 8 HN LEU 8 180.205 -4.117 -0.600 68 HA LEU 8 HA LEU 8 180.671 -5.322 -3.238 69 1HB LEU 8 HB2 LEU 8 178.340 -4.991 -1.600 70 2HB LEU 8 HB1 LEU 8 178.100 -4.146 -3.115 71 HG LEU 8 HG LEU 8 178.986 -7.020 -2.997 72 1HD1 LEU 8 HD11 LEU 8 176.853 -6.835 -1.838 73 2HD1 LEU 8 HD12 LEU 8 176.654 -7.630 -3.400 74 3HD1 LEU 8 HD13 LEU 8 176.178 -5.944 -3.202 75 1HD2 LEU 8 HD21 LEU 8 177.760 -6.853 -5.296 76 2HD2 LEU 8 HD22 LEU 8 179.416 -6.271 -5.131 77 3HD2 LEU 8 HD23 LEU 8 178.073 -5.126 -5.115 78 H ASP 9 HN ASP 9 180.677 -4.089 -5.092 79 HA ASP 9 HA ASP 9 181.701 -1.515 -4.989 80 1HB ASP 9 HB2 ASP 9 180.539 -3.238 -7.099 81 2HB ASP 9 HB1 ASP 9 180.583 -1.513 -7.451 82 HA PRO 10 HA PRO 10 178.396 1.260 -4.133 83 1HB PRO 10 HB2 PRO 10 178.920 3.242 -6.003 84 2HB PRO 10 HB1 PRO 10 179.708 3.099 -4.424 85 1HG PRO 10 HG2 PRO 10 180.671 2.222 -7.115 86 2HG PRO 10 HG1 PRO 10 181.578 2.964 -5.784 87 1HD PRO 10 HD2 PRO 10 181.729 0.335 -6.282 88 2HD PRO 10 HD1 PRO 10 181.748 0.963 -4.620 89 H ASP 11 HN ASP 11 179.006 0.990 -7.639 90 HA ASP 11 HA ASP 11 176.281 1.488 -8.324 91 1HB ASP 11 HB2 ASP 11 178.698 1.470 -9.690 92 2HB ASP 11 HB1 ASP 11 177.825 0.100 -10.370 93 H THR 12 HN THR 12 178.063 -1.324 -7.430 94 HA THR 12 HA THR 12 176.237 -3.188 -8.661 95 HB THR 12 HB THR 12 178.381 -3.717 -6.599 96 HG1 THR 12 HG1 THR 12 178.555 -3.941 -9.417 97 1HG2 THR 12 HG21 THR 12 178.391 -5.970 -7.383 98 2HG2 THR 12 HG22 THR 12 177.193 -5.595 -8.622 99 3HG2 THR 12 HG23 THR 12 176.742 -5.549 -6.917 100 H ALA 13 HN ALA 13 176.988 -2.188 -5.315 101 HA ALA 13 HA ALA 13 175.048 -3.808 -4.079 102 1HB ALA 13 HB1 ALA 13 175.810 -1.191 -2.882 103 2HB ALA 13 HB2 ALA 13 177.055 -2.420 -3.106 104 3HB ALA 13 HB3 ALA 13 175.634 -2.772 -2.122 105 H ILE 14 HN ILE 14 174.906 -0.573 -5.441 106 HA ILE 14 HA ILE 14 172.306 0.038 -4.433 107 HB ILE 14 HB ILE 14 173.838 1.268 -6.730 108 1HG1 ILE 14 HG12 ILE 14 173.393 2.342 -3.941 109 2HG1 ILE 14 HG11 ILE 14 174.821 1.422 -4.400 110 1HG2 ILE 14 HG21 ILE 14 171.356 2.248 -5.324 111 2HG2 ILE 14 HG22 ILE 14 171.455 1.670 -6.987 112 3HG2 ILE 14 HG23 ILE 14 172.283 3.156 -6.519 113 1HD1 ILE 14 HD11 ILE 14 174.122 3.780 -6.048 114 2HD1 ILE 14 HD12 ILE 14 175.701 3.131 -5.605 115 3HD1 ILE 14 HD13 ILE 14 174.769 4.062 -4.432 116 H ASP 15 HN ASP 15 173.444 -0.737 -7.726 117 HA ASP 15 HA ASP 15 171.090 -0.866 -9.078 118 1HB ASP 15 HB2 ASP 15 173.429 -1.298 -9.965 119 2HB ASP 15 HB1 ASP 15 173.231 -2.963 -9.425 120 H ILE 16 HN ILE 16 172.487 -3.540 -7.174 121 HA ILE 16 HA ILE 16 170.360 -5.336 -7.695 122 HB ILE 16 HB ILE 16 171.214 -6.510 -5.577 123 1HG1 ILE 16 HG12 ILE 16 173.827 -5.381 -5.666 124 2HG1 ILE 16 HG11 ILE 16 172.684 -4.064 -5.396 125 1HG2 ILE 16 HG21 ILE 16 173.472 -6.282 -7.461 126 2HG2 ILE 16 HG22 ILE 16 171.905 -6.694 -8.159 127 3HG2 ILE 16 HG23 ILE 16 172.601 -7.707 -6.893 128 1HD1 ILE 16 HD11 ILE 16 173.710 -5.874 -3.525 129 2HD1 ILE 16 HD12 ILE 16 172.006 -6.283 -3.727 130 3HD1 ILE 16 HD13 ILE 16 172.473 -4.643 -3.277 131 H ALA 17 HN ALA 17 171.030 -3.147 -4.967 132 HA ALA 17 HA ALA 17 168.792 -3.885 -3.421 133 1HB ALA 17 HB1 ALA 17 170.609 -1.517 -3.488 134 2HB ALA 17 HB2 ALA 17 170.341 -2.694 -2.202 135 3HB ALA 17 HB3 ALA 17 169.133 -1.449 -2.524 136 H TYR 18 HN TYR 18 169.262 -1.564 -6.009 137 HA TYR 18 HA TYR 18 166.872 -0.136 -5.821 138 1HB TYR 18 HB2 TYR 18 168.815 0.419 -7.305 139 2HB TYR 18 HB1 TYR 18 168.325 -0.898 -8.365 140 HD1 TYR 18 HD1 TYR 18 167.590 2.496 -7.243 141 HD2 TYR 18 HD2 TYR 18 166.299 -0.710 -9.725 142 HE1 TYR 18 HE1 TYR 18 166.101 4.036 -8.448 143 HE2 TYR 18 HE2 TYR 18 164.805 0.822 -10.936 144 HH TYR 18 HH TYR 18 165.020 3.823 -11.139 145 H ASP 19 HN ASP 19 167.624 -3.247 -7.258 146 HA ASP 19 HA ASP 19 165.092 -3.608 -8.520 147 1HB ASP 19 HB2 ASP 19 167.455 -5.350 -7.938 148 2HB ASP 19 HB1 ASP 19 165.929 -6.109 -8.402 149 H ILE 20 HN ILE 20 166.347 -4.168 -5.321 150 HA ILE 20 HA ILE 20 164.300 -5.990 -4.495 151 HB ILE 20 HB ILE 20 166.052 -4.266 -2.740 152 1HG1 ILE 20 HG12 ILE 20 166.520 -7.083 -3.749 153 2HG1 ILE 20 HG11 ILE 20 167.396 -5.645 -4.280 154 1HG2 ILE 20 HG21 ILE 20 163.940 -5.462 -1.837 155 2HG2 ILE 20 HG22 ILE 20 165.461 -5.625 -0.958 156 3HG2 ILE 20 HG23 ILE 20 164.904 -6.929 -2.006 157 1HD1 ILE 20 HD11 ILE 20 168.175 -5.350 -1.932 158 2HD1 ILE 20 HD12 ILE 20 168.756 -6.818 -2.718 159 3HD1 ILE 20 HD13 ILE 20 167.438 -6.906 -1.550 160 H PHE 21 HN PHE 21 164.686 -2.503 -4.471 161 HA PHE 21 HA PHE 21 162.406 -2.036 -2.780 162 1HB PHE 21 HB2 PHE 21 164.275 -0.447 -2.846 163 2HB PHE 21 HB1 PHE 21 163.985 -0.161 -4.557 164 HD1 PHE 21 HD1 PHE 21 162.987 1.833 -5.033 165 HD2 PHE 21 HD2 PHE 21 161.952 -0.164 -1.420 166 HE1 PHE 21 HE1 PHE 21 161.456 3.672 -4.461 167 HE2 PHE 21 HE2 PHE 21 160.416 1.670 -0.844 168 HZ PHE 21 HZ PHE 21 160.165 3.590 -2.365 169 H LEU 22 HN LEU 22 163.005 -2.525 -6.134 170 HA LEU 22 HA LEU 22 160.576 -1.313 -7.082 171 1HB LEU 22 HB2 LEU 22 162.991 -2.297 -8.184 172 2HB LEU 22 HB1 LEU 22 161.688 -3.227 -8.911 173 HG LEU 22 HG LEU 22 160.679 -1.251 -9.812 174 1HD1 LEU 22 HD11 LEU 22 162.375 0.090 -7.819 175 2HD1 LEU 22 HD12 LEU 22 160.805 0.556 -8.475 176 3HD1 LEU 22 HD13 LEU 22 162.277 0.895 -9.386 177 1HD2 LEU 22 HD21 LEU 22 163.099 -2.253 -10.565 178 2HD2 LEU 22 HD22 LEU 22 163.437 -0.525 -10.443 179 3HD2 LEU 22 HD23 LEU 22 162.142 -1.098 -11.495 180 H GLU 23 HN GLU 23 161.673 -4.506 -6.181 181 HA GLU 23 HA GLU 23 159.170 -5.714 -7.080 182 1HB GLU 23 HB2 GLU 23 160.232 -7.847 -6.675 183 2HB GLU 23 HB1 GLU 23 161.304 -6.827 -7.624 184 1HG GLU 23 HG2 GLU 23 162.452 -6.235 -5.454 185 2HG GLU 23 HG1 GLU 23 161.519 -7.535 -4.715 186 H MET 24 HN MET 24 160.916 -5.003 -4.095 187 HA MET 24 HA MET 24 159.016 -6.468 -2.482 188 1HB MET 24 HB2 MET 24 161.278 -4.626 -1.702 189 2HB MET 24 HB1 MET 24 160.279 -5.508 -0.562 190 1HG MET 24 HG2 MET 24 161.019 -7.598 -1.892 191 2HG MET 24 HG1 MET 24 162.311 -6.549 -2.485 192 1HE MET 24 HE1 MET 24 161.613 -7.496 1.972 193 2HE MET 24 HE2 MET 24 160.416 -7.641 0.684 194 3HE MET 24 HE3 MET 24 160.912 -6.046 1.252 195 H ALA 25 HN ALA 25 159.876 -3.030 -2.893 196 HA ALA 25 HA ALA 25 157.989 -1.956 -1.157 197 1HB ALA 25 HB1 ALA 25 158.439 0.107 -2.096 198 2HB ALA 25 HB2 ALA 25 158.648 -0.559 -3.716 199 3HB ALA 25 HB3 ALA 25 159.892 -0.810 -2.491 200 H GLY 26 HN GLY 26 155.869 -1.411 -1.276 201 1HA GLY 26 HA2 GLY 26 153.930 -0.851 -2.669 202 2HA GLY 26 HA1 GLY 26 154.447 -2.121 -3.766 203 H GLU 27 HN GLU 27 154.697 -2.734 -0.379 204 HA GLU 27 HA GLU 27 152.080 -3.889 -0.095 205 1HB GLU 27 HB2 GLU 27 154.501 -5.652 -0.448 206 2HB GLU 27 HB1 GLU 27 153.039 -6.205 0.358 207 1HG GLU 27 HG2 GLU 27 151.791 -5.579 -1.741 208 2HG GLU 27 HG1 GLU 27 153.366 -5.366 -2.505 209 H ASN 28 HN ASN 28 155.400 -3.755 1.128 210 HA ASN 28 HA ASN 28 154.633 -4.313 3.834 211 1HB ASN 28 HB2 ASN 28 157.142 -3.733 2.383 212 2HB ASN 28 HB1 ASN 28 157.109 -3.232 4.080 213 1HD2 ASN 28 HD21 ASN 28 157.562 -4.701 5.556 214 2HD2 ASN 28 HD22 ASN 28 157.607 -6.410 5.303 215 H LEU 29 HN LEU 29 155.957 -1.394 2.259 216 HA LEU 29 HA LEU 29 155.500 0.294 4.474 217 1HB LEU 29 HB2 LEU 29 156.877 0.508 2.143 218 2HB LEU 29 HB1 LEU 29 155.499 1.532 1.792 219 HG LEU 29 HG LEU 29 156.848 2.000 4.387 220 1HD1 LEU 29 HD11 LEU 29 158.880 1.958 3.395 221 2HD1 LEU 29 HD12 LEU 29 158.393 3.584 2.916 222 3HD1 LEU 29 HD13 LEU 29 158.223 2.243 1.783 223 1HD2 LEU 29 HD21 LEU 29 155.115 3.353 2.571 224 2HD2 LEU 29 HD22 LEU 29 156.536 4.341 2.918 225 3HD2 LEU 29 HD23 LEU 29 155.524 3.754 4.237 226 H ASP 30 HN ASP 30 154.098 2.389 4.089 227 HA ASP 30 HA ASP 30 151.378 1.496 3.971 228 1HB ASP 30 HB2 ASP 30 152.671 3.545 5.269 229 2HB ASP 30 HB1 ASP 30 151.803 4.399 3.998 230 HA PRO 31 HA PRO 31 150.211 2.234 -0.203 231 1HB PRO 31 HB2 PRO 31 147.942 3.851 0.843 232 2HB PRO 31 HB1 PRO 31 147.927 2.452 -0.243 233 1HG PRO 31 HG2 PRO 31 147.182 2.202 2.300 234 2HG PRO 31 HG1 PRO 31 148.130 0.934 1.500 235 1HD PRO 31 HD2 PRO 31 149.012 3.014 3.459 236 2HD PRO 31 HD1 PRO 31 149.518 1.315 3.308 237 H ALA 32 HN ALA 32 149.367 5.181 1.649 238 HA ALA 32 HA ALA 32 149.563 7.053 -0.317 239 1HB ALA 32 HB1 ALA 32 150.622 7.489 2.469 240 2HB ALA 32 HB2 ALA 32 148.908 7.454 2.058 241 3HB ALA 32 HB3 ALA 32 149.953 8.697 1.371 242 H ASP 33 HN ASP 33 152.260 5.813 1.624 243 HA ASP 33 HA ASP 33 154.269 7.426 0.512 244 1HB ASP 33 HB2 ASP 33 154.148 4.957 2.130 245 2HB ASP 33 HB1 ASP 33 155.645 5.206 1.233 246 H ILE 34 HN ILE 34 152.724 4.528 -0.635 247 HA ILE 34 HA ILE 34 154.713 3.766 -2.515 248 HB ILE 34 HB ILE 34 151.756 3.153 -2.420 249 1HG1 ILE 34 HG12 ILE 34 154.084 1.338 -1.792 250 2HG1 ILE 34 HG11 ILE 34 153.297 2.331 -0.562 251 1HG2 ILE 34 HG21 ILE 34 153.893 1.942 -4.165 252 2HG2 ILE 34 HG22 ILE 34 152.543 2.943 -4.700 253 3HG2 ILE 34 HG23 ILE 34 152.239 1.349 -4.009 254 1HD1 ILE 34 HD11 ILE 34 152.596 -0.230 -1.336 255 2HD1 ILE 34 HD12 ILE 34 151.375 0.802 -2.081 256 3HD1 ILE 34 HD13 ILE 34 151.646 0.872 -0.340 257 H LEU 35 HN LEU 35 151.686 5.603 -2.801 258 HA LEU 35 HA LEU 35 151.791 6.118 -5.542 259 1HB LEU 35 HB2 LEU 35 149.802 6.560 -4.232 260 2HB LEU 35 HB1 LEU 35 150.646 7.779 -3.297 261 HG LEU 35 HG LEU 35 150.941 8.738 -5.844 262 1HD1 LEU 35 HD11 LEU 35 149.424 6.933 -6.654 263 2HD1 LEU 35 HD12 LEU 35 148.857 8.568 -6.995 264 3HD1 LEU 35 HD13 LEU 35 148.142 7.645 -5.674 265 1HD2 LEU 35 HD21 LEU 35 149.555 10.476 -5.157 266 2HD2 LEU 35 HD22 LEU 35 150.150 9.805 -3.638 267 3HD2 LEU 35 HD23 LEU 35 148.526 9.408 -4.202 268 H LEU 36 HN LEU 36 152.692 8.374 -2.926 269 HA LEU 36 HA LEU 36 153.814 10.392 -4.366 270 1HB LEU 36 HB2 LEU 36 153.563 10.131 -1.827 271 2HB LEU 36 HB1 LEU 36 155.138 9.363 -1.871 272 HG LEU 36 HG LEU 36 155.767 11.605 -3.173 273 1HD1 LEU 36 HD11 LEU 36 153.931 12.920 -3.222 274 2HD1 LEU 36 HD12 LEU 36 154.496 13.367 -1.612 275 3HD1 LEU 36 HD13 LEU 36 153.216 12.167 -1.796 276 1HD2 LEU 36 HD21 LEU 36 157.068 11.134 -1.346 277 2HD2 LEU 36 HD22 LEU 36 155.682 10.937 -0.272 278 3HD2 LEU 36 HD23 LEU 36 156.196 12.551 -0.762 279 H PHE 37 HN PHE 37 155.440 7.404 -3.373 280 HA PHE 37 HA PHE 37 157.983 7.999 -4.387 281 1HB PHE 37 HB2 PHE 37 158.078 6.146 -3.042 282 2HB PHE 37 HB1 PHE 37 156.521 5.538 -3.586 283 HD1 PHE 37 HD1 PHE 37 159.713 6.310 -5.362 284 HD2 PHE 37 HD2 PHE 37 156.756 3.408 -4.392 285 HE1 PHE 37 HE1 PHE 37 160.857 4.670 -6.795 286 HE2 PHE 37 HE2 PHE 37 157.896 1.762 -5.822 287 HZ PHE 37 HZ PHE 37 159.949 2.393 -7.027 288 H ASN 38 HN ASN 38 155.102 6.694 -5.919 289 HA ASN 38 HA ASN 38 156.336 5.931 -8.356 290 1HB ASN 38 HB2 ASN 38 153.455 6.628 -7.751 291 2HB ASN 38 HB1 ASN 38 154.016 5.890 -9.248 292 1HD2 ASN 38 HD21 ASN 38 152.352 4.309 -8.483 293 2HD2 ASN 38 HD22 ASN 38 152.905 3.013 -7.468 294 H LEU 39 HN LEU 39 154.372 8.781 -7.500 295 HA LEU 39 HA LEU 39 154.701 10.089 -9.974 296 1HB LEU 39 HB2 LEU 39 153.980 11.088 -7.228 297 2HB LEU 39 HB1 LEU 39 154.057 12.151 -8.620 298 HG LEU 39 HG LEU 39 151.775 11.568 -8.320 299 1HD1 LEU 39 HD11 LEU 39 151.221 10.550 -10.406 300 2HD1 LEU 39 HD12 LEU 39 152.796 9.764 -10.503 301 3HD1 LEU 39 HD13 LEU 39 152.676 11.517 -10.648 302 1HD2 LEU 39 HD21 LEU 39 150.937 9.444 -7.900 303 2HD2 LEU 39 HD22 LEU 39 152.429 9.474 -6.960 304 3HD2 LEU 39 HD23 LEU 39 152.384 8.643 -8.514 305 H GLN 40 HN GLN 40 156.487 10.309 -6.925 306 HA GLN 40 HA GLN 40 158.288 12.303 -7.987 307 1HB GLN 40 HB2 GLN 40 158.581 10.760 -5.412 308 2HB GLN 40 HB1 GLN 40 159.303 12.309 -5.822 309 1HG GLN 40 HG2 GLN 40 156.335 11.961 -5.673 310 2HG GLN 40 HG1 GLN 40 157.305 12.272 -4.234 311 1HE2 GLN 40 HE21 GLN 40 155.404 14.051 -4.842 312 2HE2 GLN 40 HE22 GLN 40 156.092 15.510 -5.460 313 H PHE 41 HN PHE 41 160.459 10.769 -6.303 314 HA PHE 41 HA PHE 41 162.159 9.300 -6.666 315 1HB PHE 41 HB2 PHE 41 160.042 7.875 -7.528 316 2HB PHE 41 HB1 PHE 41 160.932 8.021 -9.045 317 HD1 PHE 41 HD1 PHE 41 162.208 7.660 -5.568 318 HD2 PHE 41 HD2 PHE 41 161.813 5.917 -9.430 319 HE1 PHE 41 HE1 PHE 41 163.674 5.808 -4.877 320 HE2 PHE 41 HE2 PHE 41 163.274 4.061 -8.746 321 HZ PHE 41 HZ PHE 41 164.209 4.005 -6.468 322 H GLU 42 HN GLU 42 160.748 10.126 -9.845 323 HA GLU 42 HA GLU 42 163.224 10.308 -11.176 324 1HB GLU 42 HB2 GLU 42 161.106 10.023 -12.373 325 2HB GLU 42 HB1 GLU 42 160.579 11.615 -11.844 326 1HG GLU 42 HG2 GLU 42 162.109 12.710 -13.223 327 2HG GLU 42 HG1 GLU 42 163.079 11.256 -13.453 328 H GLU 43 HN GLU 43 161.183 12.734 -9.607 329 HA GLU 43 HA GLU 43 163.081 14.849 -10.195 330 1HB GLU 43 HB2 GLU 43 160.313 14.677 -9.221 331 2HB GLU 43 HB1 GLU 43 161.266 15.944 -8.461 332 1HG GLU 43 HG2 GLU 43 161.883 16.285 -11.092 333 2HG GLU 43 HG1 GLU 43 160.203 15.757 -11.174 334 H ARG 44 HN ARG 44 161.762 13.237 -7.304 335 HA ARG 44 HA ARG 44 164.108 14.217 -5.812 336 1HB ARG 44 HB2 ARG 44 161.241 13.956 -5.069 337 2HB ARG 44 HB1 ARG 44 162.427 13.590 -3.824 338 1HG ARG 44 HG2 ARG 44 162.087 15.815 -3.447 339 2HG ARG 44 HG1 ARG 44 163.454 15.884 -4.561 340 1HD ARG 44 HD2 ARG 44 161.810 16.152 -6.427 341 2HD ARG 44 HD1 ARG 44 160.540 16.290 -5.212 342 HE ARG 44 HE ARG 44 162.384 18.169 -4.492 343 1HH1 ARG 44 HH11 ARG 44 160.564 17.497 -7.392 344 2HH1 ARG 44 HH12 ARG 44 160.508 19.155 -7.891 345 1HH2 ARG 44 HH21 ARG 44 162.312 20.349 -5.145 346 2HH2 ARG 44 HH22 ARG 44 161.500 20.774 -6.616 347 H GLY 45 HN GLY 45 164.986 12.192 -6.950 348 1HA GLY 45 HA2 GLY 45 164.175 9.677 -5.750 349 2HA GLY 45 HA1 GLY 45 165.429 9.902 -6.966 350 H GLY 46 HN GLY 46 165.153 8.628 -4.130 351 1HA GLY 46 HA2 GLY 46 167.763 9.645 -3.205 352 2HA GLY 46 HA1 GLY 46 166.446 9.398 -2.068 353 H VAL 47 HN VAL 47 169.188 8.046 -3.336 354 HA VAL 47 HA VAL 47 168.569 5.490 -2.125 355 HB VAL 47 HB VAL 47 169.681 4.391 -4.275 356 1HG1 VAL 47 HG11 VAL 47 166.996 4.722 -5.087 357 2HG1 VAL 47 HG12 VAL 47 167.008 4.754 -3.323 358 3HG1 VAL 47 HG13 VAL 47 167.705 3.382 -4.187 359 1HG2 VAL 47 HG21 VAL 47 168.057 6.353 -5.777 360 2HG2 VAL 47 HG22 VAL 47 169.517 5.486 -6.249 361 3HG2 VAL 47 HG23 VAL 47 169.633 6.906 -5.211 362 H GLU 48 HN GLU 48 170.174 6.779 -0.779 363 HA GLU 48 HA GLU 48 172.884 6.841 -1.783 364 1HB GLU 48 HB2 GLU 48 171.953 8.611 -0.288 365 2HB GLU 48 HB1 GLU 48 171.888 7.424 1.008 366 1HG GLU 48 HG2 GLU 48 173.849 8.795 1.246 367 2HG GLU 48 HG1 GLU 48 174.320 7.142 0.853 368 H PHE 49 HN PHE 49 174.513 5.484 -1.310 369 HA PHE 49 HA PHE 49 173.831 2.990 0.038 370 1HB PHE 49 HB2 PHE 49 174.956 2.855 -2.136 371 2HB PHE 49 HB1 PHE 49 176.307 3.794 -1.507 372 HD1 PHE 49 HD1 PHE 49 174.555 0.564 -1.317 373 HD2 PHE 49 HD2 PHE 49 178.005 2.786 -0.194 374 HE1 PHE 49 HE1 PHE 49 175.645 -1.512 -0.574 375 HE2 PHE 49 HE2 PHE 49 179.103 0.714 0.549 376 HZ PHE 49 HZ PHE 49 177.921 -1.437 0.359 377 H VAL 50 HN VAL 50 173.793 3.632 2.198 378 HA VAL 50 HA VAL 50 176.158 4.874 3.344 379 HB VAL 50 HB VAL 50 174.886 4.858 5.462 380 1HG1 VAL 50 HG11 VAL 50 173.632 6.043 3.006 381 2HG1 VAL 50 HG12 VAL 50 174.648 6.826 4.216 382 3HG1 VAL 50 HG13 VAL 50 172.997 6.358 4.621 383 1HG2 VAL 50 HG21 VAL 50 172.703 3.602 3.797 384 2HG2 VAL 50 HG22 VAL 50 172.526 4.193 5.448 385 3HG2 VAL 50 HG23 VAL 50 173.590 2.828 5.109 386 H GLU 51 HN GLU 51 176.811 3.944 5.574 387 HA GLU 51 HA GLU 51 177.542 1.158 5.121 388 1HB GLU 51 HB2 GLU 51 179.212 1.500 6.854 389 2HB GLU 51 HB1 GLU 51 179.313 2.783 5.656 390 1HG GLU 51 HG2 GLU 51 177.590 3.342 7.972 391 2HG GLU 51 HG1 GLU 51 179.313 3.190 8.315 392 H THR 52 HN THR 52 177.946 0.124 7.536 393 HA THR 52 HA THR 52 175.239 -0.210 8.542 394 HB THR 52 HB THR 52 177.803 -1.720 9.049 395 HG1 THR 52 HG1 THR 52 175.443 -2.373 7.627 396 1HG2 THR 52 HG21 THR 52 176.350 -3.464 10.066 397 2HG2 THR 52 HG22 THR 52 175.045 -2.278 10.111 398 3HG2 THR 52 HG23 THR 52 176.522 -2.002 11.039 399 H ALA 53 HN ALA 53 174.941 -0.458 10.914 400 HA ALA 53 HA ALA 53 176.559 1.505 12.405 401 1HB ALA 53 HB1 ALA 53 174.627 2.695 12.300 402 2HB ALA 53 HB2 ALA 53 174.243 1.704 13.708 403 3HB ALA 53 HB3 ALA 53 173.621 1.258 12.119 404 H ASP 54 HN ASP 54 176.435 1.223 14.793 405 HA ASP 54 HA ASP 54 176.740 -1.599 15.434 406 1HB ASP 54 HB2 ASP 54 177.291 0.841 17.139 407 2HB ASP 54 HB1 ASP 54 177.757 -0.815 17.516 408 H ASP 55 HN ASP 55 174.654 1.108 16.158 409 HA ASP 55 HA ASP 55 173.193 -0.441 18.156 410 1HB ASP 55 HB2 ASP 55 173.325 2.434 17.393 411 2HB ASP 55 HB1 ASP 55 171.817 1.845 18.085 412 H TRP 56 HN TRP 56 173.038 -1.510 15.602 413 HA TRP 56 HA TRP 56 170.774 -0.636 14.146 414 1HB TRP 56 HB2 TRP 56 172.719 -2.763 13.975 415 2HB TRP 56 HB1 TRP 56 171.096 -3.393 13.662 416 HD1 TRP 56 HD1 TRP 56 173.906 -1.830 11.917 417 HE1 TRP 56 HE1 TRP 56 173.185 -0.931 9.615 418 HE3 TRP 56 HE3 TRP 56 168.835 -2.048 12.514 419 HZ2 TRP 56 HZ2 TRP 56 170.782 -0.386 8.234 420 HZ3 TRP 56 HZ3 TRP 56 167.397 -1.325 10.654 421 HH2 TRP 56 HH2 TRP 56 168.348 -0.515 8.561 422 H GLU 57 HN GLU 57 171.191 -2.686 16.904 423 HA GLU 57 HA GLU 57 168.792 -4.129 16.837 424 1HB GLU 57 HB2 GLU 57 169.116 -4.110 19.426 425 2HB GLU 57 HB1 GLU 57 170.270 -4.952 18.406 426 1HG GLU 57 HG2 GLU 57 171.283 -3.607 20.232 427 2HG GLU 57 HG1 GLU 57 171.862 -3.199 18.619 428 H GLU 58 HN GLU 58 167.526 -2.207 15.958 429 HA GLU 58 HA GLU 58 165.838 -1.227 18.081 430 1HB GLU 58 HB2 GLU 58 167.788 0.488 16.703 431 2HB GLU 58 HB1 GLU 58 166.151 1.129 16.729 432 1HG GLU 58 HG2 GLU 58 166.168 0.724 19.220 433 2HG GLU 58 HG1 GLU 58 167.898 0.422 19.065 434 H GLU 59 HN GLU 59 166.612 -0.743 14.633 435 HA GLU 59 HA GLU 59 163.831 -0.464 13.937 436 1HB GLU 59 HB2 GLU 59 166.110 -0.866 12.009 437 2HB GLU 59 HB1 GLU 59 164.571 -0.070 11.718 438 1HG GLU 59 HG2 GLU 59 165.847 1.768 11.942 439 2HG GLU 59 HG1 GLU 59 165.484 1.515 13.649 440 H ILE 60 HN ILE 60 166.316 -2.699 12.678 441 HA ILE 60 HA ILE 60 164.370 -4.576 11.783 442 HB ILE 60 HB ILE 60 166.295 -6.056 11.325 443 1HG1 ILE 60 HG12 ILE 60 167.981 -3.808 12.448 444 2HG1 ILE 60 HG11 ILE 60 167.642 -5.315 13.305 445 1HG2 ILE 60 HG21 ILE 60 165.845 -4.697 9.521 446 2HG2 ILE 60 HG22 ILE 60 167.535 -4.307 9.840 447 3HG2 ILE 60 HG23 ILE 60 166.259 -3.221 10.392 448 1HD1 ILE 60 HD11 ILE 60 169.687 -5.767 12.398 449 2HD1 ILE 60 HD12 ILE 60 169.379 -4.821 10.940 450 3HD1 ILE 60 HD13 ILE 60 168.626 -6.404 11.142 451 H GLY 61 HN GLY 61 166.352 -4.263 14.664 452 1HA GLY 61 HA2 GLY 61 165.761 -5.182 16.756 453 2HA GLY 61 HA1 GLY 61 164.745 -6.353 15.929 454 H VAL 62 HN VAL 62 168.188 -5.506 15.573 455 HA VAL 62 HA VAL 62 169.237 -7.734 16.878 456 HB VAL 62 HB VAL 62 168.138 -9.055 15.146 457 1HG1 VAL 62 HG11 VAL 62 168.535 -8.845 12.853 458 2HG1 VAL 62 HG12 VAL 62 169.940 -7.810 13.104 459 3HG1 VAL 62 HG13 VAL 62 168.319 -7.189 13.417 460 1HG2 VAL 62 HG21 VAL 62 171.129 -9.026 14.800 461 2HG2 VAL 62 HG22 VAL 62 170.049 -10.374 14.448 462 3HG2 VAL 62 HG23 VAL 62 170.261 -9.826 16.110 463 H LEU 63 HN LEU 63 171.341 -7.416 17.182 464 HA LEU 63 HA LEU 63 172.624 -5.125 16.144 465 1HB LEU 63 HB2 LEU 63 173.888 -7.509 17.498 466 2HB LEU 63 HB1 LEU 63 174.598 -5.915 17.326 467 HG LEU 63 HG LEU 63 172.008 -5.859 18.677 468 1HD1 LEU 63 HD11 LEU 63 172.737 -8.032 19.493 469 2HD1 LEU 63 HD12 LEU 63 172.809 -6.823 20.776 470 3HD1 LEU 63 HD13 LEU 63 174.290 -7.345 19.971 471 1HD2 LEU 63 HD21 LEU 63 173.688 -4.009 18.503 472 2HD2 LEU 63 HD22 LEU 63 174.722 -4.931 19.594 473 3HD2 LEU 63 HD23 LEU 63 173.144 -4.365 20.142 474 H ILE 64 HN ILE 64 173.996 -4.842 14.472 475 HA ILE 64 HA ILE 64 174.689 -7.223 12.876 476 HB ILE 64 HB ILE 64 174.278 -4.473 11.721 477 1HG1 ILE 64 HG12 ILE 64 172.168 -5.214 12.738 478 2HG1 ILE 64 HG11 ILE 64 172.062 -5.222 10.981 479 1HG2 ILE 64 HG21 ILE 64 175.643 -6.048 10.430 480 2HG2 ILE 64 HG22 ILE 64 174.126 -5.668 9.614 481 3HG2 ILE 64 HG23 ILE 64 174.314 -7.207 10.454 482 1HD1 ILE 64 HD11 ILE 64 171.087 -7.219 11.442 483 2HD1 ILE 64 HD12 ILE 64 172.052 -7.483 12.895 484 3HD1 ILE 64 HD13 ILE 64 172.765 -7.742 11.303 485 H ASP 65 HN ASP 65 176.720 -7.298 11.921 486 HA ASP 65 HA ASP 65 178.793 -5.940 13.323 487 1HB ASP 65 HB2 ASP 65 178.602 -8.041 11.266 488 2HB ASP 65 HB1 ASP 65 180.064 -7.063 11.188 489 HA PRO 66 HA PRO 66 178.527 -2.315 10.634 490 1HB PRO 66 HB2 PRO 66 180.534 -0.942 11.912 491 2HB PRO 66 HB1 PRO 66 178.838 -0.937 12.420 492 1HG PRO 66 HG2 PRO 66 181.134 -2.521 13.486 493 2HG PRO 66 HG1 PRO 66 179.798 -1.749 14.358 494 1HD PRO 66 HD2 PRO 66 179.862 -4.402 13.877 495 2HD PRO 66 HD1 PRO 66 178.344 -3.483 13.924 496 H GLU 67 HN GLU 67 179.832 -1.421 9.018 497 HA GLU 67 HA GLU 67 181.426 -1.403 7.400 498 1HB GLU 67 HB2 GLU 67 182.909 -1.937 9.876 499 2HB GLU 67 HB1 GLU 67 183.734 -2.475 8.419 500 1HG GLU 67 HG2 GLU 67 183.947 -0.345 7.586 501 2HG GLU 67 HG1 GLU 67 182.582 0.271 8.517 502 H GLU 68 HN GLU 68 180.011 -4.084 8.446 503 HA GLU 68 HA GLU 68 181.418 -5.791 6.512 504 1HB GLU 68 HB2 GLU 68 180.219 -6.611 9.162 505 2HB GLU 68 HB1 GLU 68 180.861 -7.731 7.959 506 1HG GLU 68 HG2 GLU 68 183.046 -7.101 8.349 507 2HG GLU 68 HG1 GLU 68 182.578 -5.537 9.027 508 H TYR 69 HN TYR 69 178.875 -4.039 6.593 509 HA TYR 69 HA TYR 69 177.221 -5.943 5.157 510 1HB TYR 69 HB2 TYR 69 176.425 -4.649 7.738 511 2HB TYR 69 HB1 TYR 69 175.195 -4.961 6.507 512 HD1 TYR 69 HD1 TYR 69 177.716 -6.567 8.691 513 HD2 TYR 69 HD2 TYR 69 174.352 -7.145 6.153 514 HE1 TYR 69 HE1 TYR 69 177.534 -8.891 9.472 515 HE2 TYR 69 HE2 TYR 69 174.159 -9.469 6.927 516 HH TYR 69 HH TYR 69 175.393 -10.633 9.581 517 H ALA 70 HN ALA 70 175.955 -4.996 3.587 518 HA ALA 70 HA ALA 70 176.530 -2.197 3.044 519 1HB ALA 70 HB1 ALA 70 176.399 -2.791 0.902 520 2HB ALA 70 HB2 ALA 70 174.779 -3.454 1.123 521 3HB ALA 70 HB3 ALA 70 176.194 -4.457 1.443 522 H GLU 71 HN GLU 71 175.225 -0.668 3.783 523 HA GLU 71 HA GLU 71 172.391 -1.336 4.181 524 1HB GLU 71 HB2 GLU 71 173.339 -0.745 6.276 525 2HB GLU 71 HB1 GLU 71 174.217 0.608 5.588 526 1HG GLU 71 HG2 GLU 71 171.962 1.688 5.165 527 2HG GLU 71 HG1 GLU 71 171.271 0.417 6.175 528 H VAL 72 HN VAL 72 171.311 -0.720 2.428 529 HA VAL 72 HA VAL 72 171.981 1.812 1.127 530 HB VAL 72 HB VAL 72 170.653 -0.687 0.235 531 1HG1 VAL 72 HG11 VAL 72 169.802 2.033 -0.724 532 2HG1 VAL 72 HG12 VAL 72 168.790 0.685 -0.204 533 3HG1 VAL 72 HG13 VAL 72 169.664 0.593 -1.733 534 1HG2 VAL 72 HG21 VAL 72 171.826 0.053 -1.901 535 2HG2 VAL 72 HG22 VAL 72 172.847 -0.355 -0.522 536 3HG2 VAL 72 HG23 VAL 72 172.541 1.336 -0.924 537 H TRP 73 HN TRP 73 170.654 3.529 1.125 538 HA TRP 73 HA TRP 73 168.126 3.260 2.616 539 1HB TRP 73 HB2 TRP 73 170.227 5.390 2.595 540 2HB TRP 73 HB1 TRP 73 168.558 5.845 2.921 541 HD1 TRP 73 HD1 TRP 73 169.962 2.534 4.221 542 HE1 TRP 73 HE1 TRP 73 170.055 2.633 6.791 543 HE3 TRP 73 HE3 TRP 73 168.764 7.457 4.888 544 HZ2 TRP 73 HZ2 TRP 73 169.672 4.547 8.831 545 HZ3 TRP 73 HZ3 TRP 73 168.648 8.344 7.179 546 HH2 TRP 73 HH2 TRP 73 169.094 6.917 9.110 547 H VAL 74 HN VAL 74 166.820 2.872 0.765 548 HA VAL 74 HA VAL 74 166.861 4.852 -1.358 549 HB VAL 74 HB VAL 74 165.108 2.415 -1.021 550 1HG1 VAL 74 HG11 VAL 74 164.886 4.669 -2.741 551 2HG1 VAL 74 HG12 VAL 74 163.889 3.212 -2.695 552 3HG1 VAL 74 HG13 VAL 74 165.326 3.265 -3.718 553 1HG2 VAL 74 HG21 VAL 74 167.063 1.382 -1.486 554 2HG2 VAL 74 HG22 VAL 74 167.797 2.840 -2.153 555 3HG2 VAL 74 HG23 VAL 74 166.693 1.879 -3.137 556 H GLY 75 HN GLY 75 166.022 6.703 -0.636 557 1HA GLY 75 HA2 GLY 75 163.221 6.618 0.312 558 2HA GLY 75 HA1 GLY 75 164.404 7.678 1.058 559 H LEU 76 HN LEU 76 163.805 9.669 0.589 560 HA LEU 76 HA LEU 76 163.575 10.420 -2.236 561 1HB LEU 76 HB2 LEU 76 161.332 10.302 -0.483 562 2HB LEU 76 HB1 LEU 76 161.698 11.997 -0.736 563 HG LEU 76 HG LEU 76 161.451 11.745 -3.126 564 1HD1 LEU 76 HD11 LEU 76 162.012 9.754 -3.981 565 2HD1 LEU 76 HD12 LEU 76 160.356 9.281 -3.598 566 3HD1 LEU 76 HD13 LEU 76 161.660 8.908 -2.473 567 1HD2 LEU 76 HD21 LEU 76 159.421 11.575 -1.268 568 2HD2 LEU 76 HD22 LEU 76 159.038 10.291 -2.416 569 3HD2 LEU 76 HD23 LEU 76 159.237 11.950 -2.982 570 H VAL 77 HN VAL 77 165.232 11.772 -2.473 571 HA VAL 77 HA VAL 77 165.961 13.575 -0.288 572 HB VAL 77 HB VAL 77 167.411 13.000 -2.878 573 1HG1 VAL 77 HG11 VAL 77 167.896 14.892 -0.664 574 2HG1 VAL 77 HG12 VAL 77 168.361 14.986 -2.362 575 3HG1 VAL 77 HG13 VAL 77 169.296 13.991 -1.245 576 1HG2 VAL 77 HG21 VAL 77 167.493 11.024 -1.607 577 2HG2 VAL 77 HG22 VAL 77 167.713 11.905 -0.096 578 3HG2 VAL 77 HG23 VAL 77 169.019 11.844 -1.280 579 H ASN 78 HN ASN 78 166.179 15.808 -0.557 580 HA ASN 78 HA ASN 78 164.399 16.938 -2.570 581 1HB ASN 78 HB2 ASN 78 165.779 18.396 -0.313 582 2HB ASN 78 HB1 ASN 78 164.365 18.917 -1.225 583 1HD2 ASN 78 HD21 ASN 78 165.344 17.685 1.631 584 2HD2 ASN 78 HD22 ASN 78 163.889 16.901 2.134 585 H GLU 79 HN GLU 79 165.459 19.515 -2.747 586 HA GLU 79 HA GLU 79 167.406 19.146 -4.786 587 1HB GLU 79 HB2 GLU 79 167.393 21.585 -4.964 588 2HB GLU 79 HB1 GLU 79 165.755 20.951 -4.882 589 1HG GLU 79 HG2 GLU 79 165.431 22.527 -3.344 590 2HG GLU 79 HG1 GLU 79 166.288 21.434 -2.258 591 H GLN 80 HN GLN 80 167.580 19.856 -1.391 592 HA GLN 80 HA GLN 80 170.226 20.925 -1.421 593 1HB GLN 80 HB2 GLN 80 170.121 20.429 1.074 594 2HB GLN 80 HB1 GLN 80 168.925 21.551 0.435 595 1HG GLN 80 HG2 GLN 80 167.247 19.799 0.440 596 2HG GLN 80 HG1 GLN 80 168.442 18.634 1.008 597 1HE2 GLN 80 HE21 GLN 80 166.986 21.748 1.855 598 2HE2 GLN 80 HE22 GLN 80 166.985 21.483 3.562 599 H ASP 81 HN ASP 81 169.115 17.831 -1.977 600 HA ASP 81 HA ASP 81 170.168 15.834 -2.227 601 1HB ASP 81 HB2 ASP 81 172.149 17.703 -2.692 602 2HB ASP 81 HB1 ASP 81 172.866 16.666 -1.462 603 H GLU 82 HN GLU 82 169.153 16.729 0.367 604 HA GLU 82 HA GLU 82 170.919 15.249 2.193 605 1HB GLU 82 HB2 GLU 82 169.081 17.528 2.519 606 2HB GLU 82 HB1 GLU 82 169.003 16.332 3.804 607 1HG GLU 82 HG2 GLU 82 171.712 17.144 3.015 608 2HG GLU 82 HG1 GLU 82 170.725 18.409 3.745 609 H MET 83 HN MET 83 170.098 13.574 3.479 610 HA MET 83 HA MET 83 167.558 12.451 2.501 611 1HB MET 83 HB2 MET 83 169.997 11.279 2.376 612 2HB MET 83 HB1 MET 83 169.438 10.677 3.931 613 1HG MET 83 HG2 MET 83 167.866 9.358 3.010 614 2HG MET 83 HG1 MET 83 167.499 10.507 1.726 615 1HE MET 83 HE1 MET 83 168.395 7.610 -0.586 616 2HE MET 83 HE2 MET 83 167.380 9.031 -0.344 617 3HE MET 83 HE3 MET 83 167.317 7.696 0.807 618 H ASP 84 HN ASP 84 166.292 13.587 4.013 619 HA ASP 84 HA ASP 84 166.654 12.758 6.815 620 1HB ASP 84 HB2 ASP 84 165.179 14.726 7.343 621 2HB ASP 84 HB1 ASP 84 166.736 15.147 6.636 622 H ASP 85 HN ASP 85 165.142 11.571 4.332 623 HA ASP 85 HA ASP 85 162.918 10.591 5.892 624 1HB ASP 85 HB2 ASP 85 162.581 12.490 3.627 625 2HB ASP 85 HB1 ASP 85 161.465 11.120 3.700 626 H VAL 86 HN VAL 86 163.858 8.572 5.693 627 HA VAL 86 HA VAL 86 164.389 7.499 3.040 628 HB VAL 86 HB VAL 86 166.029 6.903 4.662 629 1HG1 VAL 86 HG11 VAL 86 163.697 6.093 6.372 630 2HG1 VAL 86 HG12 VAL 86 164.956 7.278 6.719 631 3HG1 VAL 86 HG13 VAL 86 165.345 5.558 6.702 632 1HG2 VAL 86 HG21 VAL 86 164.956 5.087 3.093 633 2HG2 VAL 86 HG22 VAL 86 164.463 4.371 4.627 634 3HG2 VAL 86 HG23 VAL 86 166.172 4.648 4.292 635 H PHE 87 HN PHE 87 163.334 5.718 2.153 636 HA PHE 87 HA PHE 87 160.613 5.325 3.148 637 1HB PHE 87 HB2 PHE 87 161.937 5.075 0.492 638 2HB PHE 87 HB1 PHE 87 160.553 4.036 0.815 639 HD1 PHE 87 HD1 PHE 87 161.214 6.690 -0.987 640 HD2 PHE 87 HD2 PHE 87 158.817 5.740 2.396 641 HE1 PHE 87 HE1 PHE 87 159.699 8.547 -1.544 642 HE2 PHE 87 HE2 PHE 87 157.299 7.590 1.847 643 HZ PHE 87 HZ PHE 87 157.737 9.000 -0.127 644 H ALA 88 HN ALA 88 163.380 3.414 1.983 645 HA ALA 88 HA ALA 88 162.726 1.327 3.886 646 1HB ALA 88 HB1 ALA 88 161.361 0.739 1.940 647 2HB ALA 88 HB2 ALA 88 162.631 -0.451 2.228 648 3HB ALA 88 HB3 ALA 88 162.808 0.732 0.931 649 H LYS 89 HN LYS 89 164.583 0.735 4.813 650 HA LYS 89 HA LYS 89 167.077 1.090 3.311 651 1HB LYS 89 HB2 LYS 89 167.277 0.425 6.163 652 2HB LYS 89 HB1 LYS 89 168.086 1.682 5.245 653 1HG LYS 89 HG2 LYS 89 165.950 2.993 5.340 654 2HG LYS 89 HG1 LYS 89 165.339 1.777 6.462 655 1HD LYS 89 HD2 LYS 89 167.926 2.603 7.333 656 2HD LYS 89 HD1 LYS 89 166.954 4.041 7.020 657 1HE LYS 89 HE2 LYS 89 166.106 3.723 9.062 658 2HE LYS 89 HE1 LYS 89 165.200 2.390 8.348 659 1HZ LYS 89 HZ1 LYS 89 167.376 2.327 10.216 660 2HZ LYS 89 HZ2 LYS 89 167.619 1.290 8.902 661 3HZ LYS 89 HZ3 LYS 89 166.229 1.136 9.853 662 H PHE 90 HN PHE 90 168.297 -0.648 2.753 663 HA PHE 90 HA PHE 90 167.405 -3.278 3.739 664 1HB PHE 90 HB2 PHE 90 168.901 -2.708 1.177 665 2HB PHE 90 HB1 PHE 90 168.162 -4.231 1.660 666 HD1 PHE 90 HD1 PHE 90 167.207 -0.662 1.121 667 HD2 PHE 90 HD2 PHE 90 166.121 -4.761 0.761 668 HE1 PHE 90 HE1 PHE 90 165.127 -0.006 -0.014 669 HE2 PHE 90 HE2 PHE 90 164.038 -4.112 -0.377 670 HZ PHE 90 HZ PHE 90 163.538 -1.732 -0.766 671 H LEU 91 HN LEU 91 168.963 -4.910 4.142 672 HA LEU 91 HA LEU 91 171.745 -4.022 4.443 673 1HB LEU 91 HB2 LEU 91 170.209 -5.496 6.583 674 2HB LEU 91 HB1 LEU 91 171.898 -5.034 6.652 675 HG LEU 91 HG LEU 91 169.755 -2.951 6.375 676 1HD1 LEU 91 HD11 LEU 91 170.730 -3.327 9.081 677 2HD1 LEU 91 HD12 LEU 91 169.824 -4.718 8.495 678 3HD1 LEU 91 HD13 LEU 91 169.081 -3.123 8.490 679 1HD2 LEU 91 HD21 LEU 91 172.124 -2.447 8.000 680 2HD2 LEU 91 HD22 LEU 91 171.414 -1.489 6.701 681 3HD2 LEU 91 HD23 LEU 91 172.493 -2.830 6.318 682 H ILE 92 HN ILE 92 172.807 -5.361 3.111 683 HA ILE 92 HA ILE 92 172.097 -8.221 3.171 684 HB ILE 92 HB ILE 92 173.505 -8.040 0.867 685 1HG1 ILE 92 HG12 ILE 92 172.149 -5.366 1.271 686 2HG1 ILE 92 HG11 ILE 92 173.835 -5.670 0.865 687 1HG2 ILE 92 HG21 ILE 92 171.406 -9.138 1.006 688 2HG2 ILE 92 HG22 ILE 92 171.251 -7.917 -0.257 689 3HG2 ILE 92 HG23 ILE 92 170.560 -7.627 1.340 690 1HD1 ILE 92 HD11 ILE 92 173.060 -6.586 -1.315 691 2HD1 ILE 92 HD12 ILE 92 172.719 -4.872 -1.076 692 3HD1 ILE 92 HD13 ILE 92 171.430 -6.063 -0.891 693 H SER 93 HN SER 93 173.626 -9.711 3.551 694 HA SER 93 HA SER 93 176.075 -8.894 4.751 695 1HB SER 93 HB2 SER 93 174.491 -11.228 4.701 696 2HB SER 93 HB1 SER 93 176.082 -11.697 4.105 697 HG SER 93 HG SER 93 176.946 -10.651 6.000 698 H HIS 94 HN HIS 94 177.357 -7.840 3.258 699 HA HIS 94 HA HIS 94 177.994 -8.175 0.712 700 1HB HIS 94 HB2 HIS 94 179.991 -7.897 2.963 701 2HB HIS 94 HB1 HIS 94 180.396 -7.674 1.261 702 HD1 HIS 94 HD1 HIS 94 179.119 -5.653 0.045 703 HD2 HIS 94 HD2 HIS 94 178.980 -5.669 4.196 704 HE1 HIS 94 HE1 HIS 94 178.462 -3.317 0.706 705 HE2 HIS 94 HE2 HIS 94 178.537 -3.317 3.221 706 H ARG 95 HN ARG 95 179.405 -10.251 3.235 707 HA ARG 95 HA ARG 95 181.125 -11.816 1.867 708 1HB ARG 95 HB2 ARG 95 179.283 -12.333 4.132 709 2HB ARG 95 HB1 ARG 95 180.011 -13.741 3.371 710 1HG ARG 95 HG2 ARG 95 182.222 -12.892 3.807 711 2HG ARG 95 HG1 ARG 95 181.553 -11.390 4.447 712 1HD ARG 95 HD2 ARG 95 180.293 -13.411 5.893 713 2HD ARG 95 HD1 ARG 95 181.971 -13.933 5.757 714 HE ARG 95 HE ARG 95 182.584 -12.225 7.154 715 1HH1 ARG 95 HH11 ARG 95 179.331 -11.656 6.028 716 2HH1 ARG 95 HH12 ARG 95 179.056 -10.328 7.105 717 1HH2 ARG 95 HH21 ARG 95 182.225 -10.480 8.573 718 2HH2 ARG 95 HH22 ARG 95 180.700 -9.660 8.550 719 H GLU 96 HN GLU 96 181.115 -13.611 0.571 720 HA GLU 96 HA GLU 96 178.906 -13.892 -1.206 721 1HB GLU 96 HB2 GLU 96 181.559 -14.358 -1.432 722 2HB GLU 96 HB1 GLU 96 180.983 -15.999 -1.175 723 1HG GLU 96 HG2 GLU 96 179.504 -14.408 -3.165 724 2HG GLU 96 HG1 GLU 96 181.162 -14.836 -3.584 725 H GLU 97 HN GLU 97 180.349 -16.024 1.254 726 HA GLU 97 HA GLU 97 178.377 -18.066 0.922 727 1HB GLU 97 HB2 GLU 97 180.692 -17.572 2.686 728 2HB GLU 97 HB1 GLU 97 179.403 -18.528 3.405 729 1HG GLU 97 HG2 GLU 97 179.522 -20.076 1.494 730 2HG GLU 97 HG1 GLU 97 180.870 -19.140 0.849 731 H ASP 98 HN ASP 98 176.613 -18.549 2.225 732 HA ASP 98 HA ASP 98 174.751 -18.069 3.447 733 1HB ASP 98 HB2 ASP 98 176.999 -16.993 5.067 734 2HB ASP 98 HB1 ASP 98 175.379 -16.467 5.515 735 H ARG 99 HN ARG 99 173.216 -16.815 2.582 736 HA ARG 99 HA ARG 99 173.826 -13.971 2.147 737 1HB ARG 99 HB2 ARG 99 173.342 -15.021 0.059 738 2HB ARG 99 HB1 ARG 99 171.941 -15.857 0.729 739 1HG ARG 99 HG2 ARG 99 171.186 -14.065 -0.666 740 2HG ARG 99 HG1 ARG 99 170.829 -13.661 1.013 741 1HD ARG 99 HD2 ARG 99 172.630 -12.124 1.121 742 2HD ARG 99 HD1 ARG 99 173.301 -12.701 -0.407 743 HE ARG 99 HE ARG 99 170.641 -11.578 -0.576 744 1HH1 ARG 99 HH11 ARG 99 174.072 -10.963 -0.795 745 2HH1 ARG 99 HH12 ARG 99 173.880 -9.546 -1.771 746 1HH2 ARG 99 HH21 ARG 99 170.391 -9.715 -1.858 747 2HH2 ARG 99 HH22 ARG 99 171.793 -8.837 -2.374 748 H GLU 100 HN GLU 100 172.984 -12.701 3.652 749 HA GLU 100 HA GLU 100 170.275 -13.299 4.624 750 1HB GLU 100 HB2 GLU 100 171.017 -12.299 6.833 751 2HB GLU 100 HB1 GLU 100 171.657 -13.891 6.453 752 1HG GLU 100 HG2 GLU 100 173.756 -12.863 5.723 753 2HG GLU 100 HG1 GLU 100 173.111 -11.275 6.136 754 H PHE 101 HN PHE 101 169.105 -11.799 3.609 755 HA PHE 101 HA PHE 101 170.042 -9.011 3.704 756 1HB PHE 101 HB2 PHE 101 168.812 -8.566 1.713 757 2HB PHE 101 HB1 PHE 101 169.693 -10.063 1.428 758 HD1 PHE 101 HD1 PHE 101 168.550 -12.116 1.048 759 HD2 PHE 101 HD2 PHE 101 166.385 -8.609 2.111 760 HE1 PHE 101 HE1 PHE 101 166.445 -13.233 0.434 761 HE2 PHE 101 HE2 PHE 101 164.277 -9.719 1.500 762 HZ PHE 101 HZ PHE 101 164.305 -12.035 0.660 763 H HIS 102 HN HIS 102 168.620 -7.387 4.351 764 HA HIS 102 HA HIS 102 165.971 -8.163 5.260 765 1HB HIS 102 HB2 HIS 102 166.696 -6.652 7.411 766 2HB HIS 102 HB1 HIS 102 166.649 -8.407 7.393 767 HD1 HIS 102 HD1 HIS 102 168.593 -6.227 8.949 768 HD2 HIS 102 HD2 HIS 102 169.586 -8.959 5.985 769 HE1 HIS 102 HE1 HIS 102 171.055 -6.655 9.221 770 HE2 HIS 102 HE2 HIS 102 171.615 -8.368 7.464 771 H VAL 103 HN VAL 103 164.653 -6.267 5.887 772 HA VAL 103 HA VAL 103 165.618 -3.694 4.974 773 HB VAL 103 HB VAL 103 164.894 -4.736 2.879 774 1HG1 VAL 103 HG11 VAL 103 163.207 -6.252 3.801 775 2HG1 VAL 103 HG12 VAL 103 162.550 -5.272 2.491 776 3HG1 VAL 103 HG13 VAL 103 162.170 -4.873 4.166 777 1HG2 VAL 103 HG21 VAL 103 164.700 -2.419 2.815 778 2HG2 VAL 103 HG22 VAL 103 163.354 -2.402 3.954 779 3HG2 VAL 103 HG23 VAL 103 163.105 -2.971 2.306 780 H ILE 104 HN ILE 104 164.525 -1.967 5.789 781 HA ILE 104 HA ILE 104 162.252 -2.587 7.563 782 HB ILE 104 HB ILE 104 162.928 -0.206 8.498 783 1HG1 ILE 104 HG12 ILE 104 164.841 -0.202 6.715 784 2HG1 ILE 104 HG11 ILE 104 165.162 0.401 8.336 785 1HG2 ILE 104 HG21 ILE 104 162.767 -2.310 9.743 786 2HG2 ILE 104 HG22 ILE 104 164.124 -1.317 10.277 787 3HG2 ILE 104 HG23 ILE 104 164.409 -2.718 9.245 788 1HD1 ILE 104 HD11 ILE 104 166.550 -1.315 8.847 789 2HD1 ILE 104 HD12 ILE 104 166.791 -1.267 7.099 790 3HD1 ILE 104 HD13 ILE 104 165.703 -2.462 7.807 791 H TRP 105 HN TRP 105 160.351 -1.590 7.218 792 HA TRP 105 HA TRP 105 160.276 0.422 5.068 793 1HB TRP 105 HB2 TRP 105 158.141 -1.533 5.935 794 2HB TRP 105 HB1 TRP 105 157.940 -0.319 4.676 795 HD1 TRP 105 HD1 TRP 105 159.543 -3.696 5.367 796 HE1 TRP 105 HE1 TRP 105 160.398 -4.706 3.162 797 HE3 TRP 105 HE3 TRP 105 158.862 0.337 2.278 798 HZ2 TRP 105 HZ2 TRP 105 160.741 -3.908 0.481 799 HZ3 TRP 105 HZ3 TRP 105 159.471 0.130 -0.081 800 HH2 TRP 105 HH2 TRP 105 160.402 -1.954 -0.969 801 H LYS 106 HN LYS 106 157.787 -0.414 7.458 802 HA LYS 106 HA LYS 106 158.156 2.035 8.918 803 1HB LYS 106 HB2 LYS 106 156.070 1.792 6.815 804 2HB LYS 106 HB1 LYS 106 155.601 2.563 8.324 805 1HG LYS 106 HG2 LYS 106 158.027 3.743 7.679 806 2HG LYS 106 HG1 LYS 106 157.187 3.587 6.135 807 1HD LYS 106 HD2 LYS 106 156.157 5.492 6.710 808 2HD LYS 106 HD1 LYS 106 155.200 4.483 7.796 809 1HE LYS 106 HE2 LYS 106 156.682 4.959 9.629 810 2HE LYS 106 HE1 LYS 106 157.790 5.821 8.563 811 1HZ LYS 106 HZ1 LYS 106 155.087 6.645 9.439 812 2HZ LYS 106 HZ2 LYS 106 155.850 7.357 8.108 813 3HZ LYS 106 HZ3 LYS 106 156.553 7.467 9.643 814 H LYS 107 HN LYS 107 157.219 1.975 10.903 815 HA LYS 107 HA LYS 107 155.993 -0.548 11.674 816 1HB LYS 107 HB2 LYS 107 156.796 1.798 13.403 817 2HB LYS 107 HB1 LYS 107 156.348 0.193 13.964 818 1HG LYS 107 HG2 LYS 107 158.625 0.450 12.070 819 2HG LYS 107 HG1 LYS 107 158.861 0.916 13.755 820 1HD LYS 107 HD2 LYS 107 157.581 -1.466 14.034 821 2HD LYS 107 HD1 LYS 107 158.508 -1.744 12.559 822 1HE LYS 107 HE2 LYS 107 160.498 -0.792 13.870 823 2HE LYS 107 HE1 LYS 107 159.503 -1.044 15.303 824 1HZ LYS 107 HZ1 LYS 107 160.718 -2.989 15.133 825 2HZ LYS 107 HZ2 LYS 107 160.606 -3.052 13.447 826 3HZ LYS 107 HZ3 LYS 107 159.255 -3.414 14.397 Start of MODEL 14 1 H MET 1 HT1 MET 1 197.620 -7.587 8.779 2 HA MET 1 HA MET 1 197.568 -6.364 6.697 3 1HB MET 1 HB2 MET 1 200.086 -7.857 6.415 4 2HB MET 1 HB1 MET 1 199.059 -7.908 4.989 5 1HG MET 1 HG2 MET 1 199.219 -5.646 4.623 6 2HG MET 1 HG1 MET 1 199.606 -5.293 6.306 7 1HE MET 1 HE1 MET 1 201.927 -4.469 3.257 8 2HE MET 1 HE2 MET 1 202.464 -3.781 4.789 9 3HE MET 1 HE3 MET 1 200.746 -3.814 4.391 10 H THR 2 HN THR 2 197.076 -7.723 4.479 11 HA THR 2 HA THR 2 195.662 -9.188 3.479 12 HB THR 2 HB THR 2 197.363 -10.736 5.042 13 HG1 THR 2 HG1 THR 2 197.120 -12.018 3.394 14 1HG2 THR 2 HG21 THR 2 196.074 -12.612 5.834 15 2HG2 THR 2 HG22 THR 2 194.569 -11.794 5.413 16 3HG2 THR 2 HG23 THR 2 195.595 -11.149 6.694 17 H THR 3 HN THR 3 193.538 -8.941 3.417 18 HA THR 3 HA THR 3 192.075 -8.622 5.934 19 HB THR 3 HB THR 3 191.867 -6.822 4.272 20 HG1 THR 3 HG1 THR 3 189.501 -8.342 4.633 21 1HG2 THR 3 HG21 THR 3 191.656 -8.899 2.400 22 2HG2 THR 3 HG22 THR 3 191.570 -7.161 2.113 23 3HG2 THR 3 HG23 THR 3 190.095 -8.077 2.422 24 H GLU 4 HN GLU 4 190.620 -10.062 6.628 25 HA GLU 4 HA GLU 4 190.445 -12.629 5.529 26 1HB GLU 4 HB2 GLU 4 189.934 -11.914 7.913 27 2HB GLU 4 HB1 GLU 4 188.367 -11.379 7.324 28 1HG GLU 4 HG2 GLU 4 188.178 -13.569 8.304 29 2HG GLU 4 HG1 GLU 4 187.886 -13.662 6.568 30 H ILE 5 HN ILE 5 187.868 -10.160 5.668 31 HA ILE 5 HA ILE 5 186.802 -11.279 3.154 32 HB ILE 5 HB ILE 5 185.019 -9.946 5.167 33 1HG1 ILE 5 HG12 ILE 5 185.028 -12.907 5.150 34 2HG1 ILE 5 HG11 ILE 5 186.411 -12.153 5.937 35 1HG2 ILE 5 HG21 ILE 5 183.314 -10.674 3.881 36 2HG2 ILE 5 HG22 ILE 5 184.127 -12.182 3.462 37 3HG2 ILE 5 HG23 ILE 5 184.564 -10.687 2.637 38 1HD1 ILE 5 HD11 ILE 5 184.804 -12.541 7.610 39 2HD1 ILE 5 HD12 ILE 5 183.507 -11.862 6.627 40 3HD1 ILE 5 HD13 ILE 5 184.763 -10.810 7.279 41 H LYS 6 HN LYS 6 186.097 -9.848 1.612 42 HA LYS 6 HA LYS 6 186.892 -7.059 2.036 43 1HB LYS 6 HB2 LYS 6 186.797 -8.874 -0.291 44 2HB LYS 6 HB1 LYS 6 186.325 -7.212 -0.617 45 1HG LYS 6 HG2 LYS 6 188.701 -7.212 0.964 46 2HG LYS 6 HG1 LYS 6 188.921 -8.282 -0.422 47 1HD LYS 6 HD2 LYS 6 189.543 -6.294 -1.364 48 2HD LYS 6 HD1 LYS 6 187.813 -6.259 -1.711 49 1HE LYS 6 HE2 LYS 6 188.616 -4.118 -0.821 50 2HE LYS 6 HE1 LYS 6 187.424 -4.869 0.238 51 1HZ LYS 6 HZ1 LYS 6 188.932 -5.179 1.863 52 2HZ LYS 6 HZ2 LYS 6 189.737 -3.901 1.101 53 3HZ LYS 6 HZ3 LYS 6 190.207 -5.496 0.796 54 H LYS 7 HN LYS 7 185.509 -5.501 0.579 55 HA LYS 7 HA LYS 7 182.693 -5.992 1.283 56 1HB LYS 7 HB2 LYS 7 184.367 -3.515 1.174 57 2HB LYS 7 HB1 LYS 7 182.633 -3.387 0.915 58 1HG LYS 7 HG2 LYS 7 182.622 -4.865 3.143 59 2HG LYS 7 HG1 LYS 7 184.148 -3.999 3.373 60 1HD LYS 7 HD2 LYS 7 181.969 -2.280 2.466 61 2HD LYS 7 HD1 LYS 7 181.642 -3.056 4.016 62 1HE LYS 7 HE2 LYS 7 182.862 -1.444 4.950 63 2HE LYS 7 HE1 LYS 7 184.273 -2.217 4.229 64 1HZ LYS 7 HZ1 LYS 7 184.274 -0.738 2.458 65 2HZ LYS 7 HZ2 LYS 7 183.888 0.251 3.775 66 3HZ LYS 7 HZ3 LYS 7 182.673 -0.253 2.712 67 H LEU 8 HN LEU 8 181.162 -5.979 -0.250 68 HA LEU 8 HA LEU 8 181.837 -6.272 -2.943 69 1HB LEU 8 HB2 LEU 8 179.699 -6.881 -3.224 70 2HB LEU 8 HB1 LEU 8 179.682 -6.876 -1.477 71 HG LEU 8 HG LEU 8 177.708 -5.820 -2.057 72 1HD1 LEU 8 HD11 LEU 8 178.850 -3.202 -1.956 73 2HD1 LEU 8 HD12 LEU 8 179.713 -4.275 -0.855 74 3HD1 LEU 8 HD13 LEU 8 177.966 -4.089 -0.715 75 1HD2 LEU 8 HD21 LEU 8 177.682 -5.464 -4.292 76 2HD2 LEU 8 HD22 LEU 8 179.290 -4.743 -4.312 77 3HD2 LEU 8 HD23 LEU 8 177.908 -3.806 -3.743 78 H ASP 9 HN ASP 9 181.519 -4.982 -4.754 79 HA ASP 9 HA ASP 9 182.484 -2.429 -4.680 80 1HB ASP 9 HB2 ASP 9 181.110 -4.076 -6.654 81 2HB ASP 9 HB1 ASP 9 180.815 -2.357 -6.891 82 HA PRO 10 HA PRO 10 179.361 0.187 -2.957 83 1HB PRO 10 HB2 PRO 10 179.972 2.505 -4.337 84 2HB PRO 10 HB1 PRO 10 180.812 1.945 -2.882 85 1HG PRO 10 HG2 PRO 10 181.595 1.663 -5.753 86 2HG PRO 10 HG1 PRO 10 182.607 2.025 -4.343 87 1HD PRO 10 HD2 PRO 10 182.541 -0.426 -5.438 88 2HD PRO 10 HD1 PRO 10 182.702 -0.194 -3.684 89 H ASP 11 HN ASP 11 179.867 0.953 -6.411 90 HA ASP 11 HA ASP 11 177.192 1.688 -6.886 91 1HB ASP 11 HB2 ASP 11 179.602 1.207 -8.516 92 2HB ASP 11 HB1 ASP 11 178.076 0.963 -9.360 93 H THR 12 HN THR 12 178.842 -1.390 -6.987 94 HA THR 12 HA THR 12 176.997 -2.861 -8.493 95 HB THR 12 HB THR 12 178.782 -3.756 -6.221 96 HG1 THR 12 HG1 THR 12 179.109 -3.728 -9.035 97 1HG2 THR 12 HG21 THR 12 176.772 -5.250 -7.453 98 2HG2 THR 12 HG22 THR 12 178.095 -5.842 -6.448 99 3HG2 THR 12 HG23 THR 12 178.283 -5.768 -8.200 100 H ALA 13 HN ALA 13 177.243 -2.571 -4.938 101 HA ALA 13 HA ALA 13 174.943 -4.023 -4.323 102 1HB ALA 13 HB1 ALA 13 176.217 -3.680 -2.464 103 2HB ALA 13 HB2 ALA 13 175.019 -2.407 -2.229 104 3HB ALA 13 HB3 ALA 13 176.602 -2.014 -2.899 105 H ILE 14 HN ILE 14 175.345 -0.491 -4.609 106 HA ILE 14 HA ILE 14 172.808 0.369 -4.084 107 HB ILE 14 HB ILE 14 174.699 1.396 -6.203 108 1HG1 ILE 14 HG12 ILE 14 174.117 2.374 -3.399 109 2HG1 ILE 14 HG11 ILE 14 175.528 1.431 -3.867 110 1HG2 ILE 14 HG21 ILE 14 172.206 2.667 -5.082 111 2HG2 ILE 14 HG22 ILE 14 172.487 2.165 -6.750 112 3HG2 ILE 14 HG23 ILE 14 173.408 3.505 -6.065 113 1HD1 ILE 14 HD11 ILE 14 176.579 3.207 -4.736 114 2HD1 ILE 14 HD12 ILE 14 175.471 4.119 -3.711 115 3HD1 ILE 14 HD13 ILE 14 175.100 3.883 -5.419 116 H ASP 15 HN ASP 15 173.994 -1.052 -7.082 117 HA ASP 15 HA ASP 15 171.670 -0.592 -8.628 118 1HB ASP 15 HB2 ASP 15 174.146 -1.465 -9.225 119 2HB ASP 15 HB1 ASP 15 173.299 -3.009 -9.194 120 H ILE 16 HN ILE 16 172.771 -3.398 -6.744 121 HA ILE 16 HA ILE 16 170.610 -5.086 -7.332 122 HB ILE 16 HB ILE 16 172.192 -5.046 -4.759 123 1HG1 ILE 16 HG12 ILE 16 172.926 -6.961 -6.875 124 2HG1 ILE 16 HG11 ILE 16 173.272 -5.274 -7.259 125 1HG2 ILE 16 HG21 ILE 16 171.250 -7.569 -5.943 126 2HG2 ILE 16 HG22 ILE 16 169.994 -6.506 -5.310 127 3HG2 ILE 16 HG23 ILE 16 171.299 -7.053 -4.258 128 1HD1 ILE 16 HD11 ILE 16 174.780 -7.047 -5.688 129 2HD1 ILE 16 HD12 ILE 16 174.132 -5.822 -4.597 130 3HD1 ILE 16 HD13 ILE 16 175.084 -5.339 -6.001 131 H ALA 17 HN ALA 17 171.166 -3.272 -4.298 132 HA ALA 17 HA ALA 17 168.748 -3.675 -3.085 133 1HB ALA 17 HB1 ALA 17 170.574 -1.294 -3.049 134 2HB ALA 17 HB2 ALA 17 170.378 -2.557 -1.833 135 3HB ALA 17 HB3 ALA 17 169.106 -1.357 -2.073 136 H TYR 18 HN TYR 18 169.512 -1.345 -5.622 137 HA TYR 18 HA TYR 18 167.181 0.172 -5.593 138 1HB TYR 18 HB2 TYR 18 169.272 0.535 -7.005 139 2HB TYR 18 HB1 TYR 18 168.616 -0.664 -8.115 140 HD1 TYR 18 HD1 TYR 18 168.808 2.761 -7.401 141 HD2 TYR 18 HD2 TYR 18 166.124 -0.188 -8.885 142 HE1 TYR 18 HE1 TYR 18 167.502 4.520 -8.516 143 HE2 TYR 18 HE2 TYR 18 164.811 1.563 -10.005 144 HH TYR 18 HH TYR 18 165.321 4.915 -9.402 145 H ASP 19 HN ASP 19 167.899 -2.757 -7.482 146 HA ASP 19 HA ASP 19 165.333 -3.025 -8.608 147 1HB ASP 19 HB2 ASP 19 167.689 -4.824 -8.245 148 2HB ASP 19 HB1 ASP 19 166.143 -5.551 -8.695 149 H ILE 20 HN ILE 20 166.550 -3.711 -5.460 150 HA ILE 20 HA ILE 20 164.546 -5.640 -4.749 151 HB ILE 20 HB ILE 20 166.359 -4.014 -2.960 152 1HG1 ILE 20 HG12 ILE 20 166.651 -6.879 -3.892 153 2HG1 ILE 20 HG11 ILE 20 167.523 -5.513 -4.593 154 1HG2 ILE 20 HG21 ILE 20 165.829 -5.591 -1.224 155 2HG2 ILE 20 HG22 ILE 20 164.831 -6.535 -2.329 156 3HG2 ILE 20 HG23 ILE 20 164.326 -4.914 -1.852 157 1HD1 ILE 20 HD11 ILE 20 169.100 -5.779 -3.072 158 2HD1 ILE 20 HD12 ILE 20 168.183 -7.084 -2.319 159 3HD1 ILE 20 HD13 ILE 20 167.929 -5.417 -1.804 160 H PHE 21 HN PHE 21 164.858 -2.148 -4.594 161 HA PHE 21 HA PHE 21 162.627 -1.796 -2.819 162 1HB PHE 21 HB2 PHE 21 164.285 -0.079 -2.808 163 2HB PHE 21 HB1 PHE 21 164.234 0.079 -4.559 164 HD1 PHE 21 HD1 PHE 21 161.590 0.098 -1.921 165 HD2 PHE 21 HD2 PHE 21 163.472 2.159 -5.134 166 HE1 PHE 21 HE1 PHE 21 159.958 1.927 -1.701 167 HE2 PHE 21 HE2 PHE 21 161.846 3.994 -4.918 168 HZ PHE 21 HZ PHE 21 160.086 3.877 -3.199 169 H LEU 22 HN LEU 22 163.147 -2.076 -6.230 170 HA LEU 22 HA LEU 22 160.611 -1.011 -7.039 171 1HB LEU 22 HB2 LEU 22 163.042 -1.781 -8.256 172 2HB LEU 22 HB1 LEU 22 161.785 -2.772 -8.981 173 HG LEU 22 HG LEU 22 160.613 -0.843 -9.774 174 1HD1 LEU 22 HD11 LEU 22 160.645 0.903 -8.347 175 2HD1 LEU 22 HD12 LEU 22 162.038 1.403 -9.306 176 3HD1 LEU 22 HD13 LEU 22 162.277 0.548 -7.782 177 1HD2 LEU 22 HD21 LEU 22 162.008 -0.560 -11.489 178 2HD2 LEU 22 HD22 LEU 22 163.112 -1.612 -10.600 179 3HD2 LEU 22 HD23 LEU 22 163.263 0.140 -10.465 180 H GLU 23 HN GLU 23 161.920 -4.171 -6.307 181 HA GLU 23 HA GLU 23 159.477 -5.489 -7.208 182 1HB GLU 23 HB2 GLU 23 160.668 -7.570 -6.884 183 2HB GLU 23 HB1 GLU 23 161.661 -6.459 -7.818 184 1HG GLU 23 HG2 GLU 23 162.761 -5.856 -5.594 185 2HG GLU 23 HG1 GLU 23 161.980 -7.305 -4.963 186 H MET 24 HN MET 24 161.290 -4.901 -4.218 187 HA MET 24 HA MET 24 159.554 -6.509 -2.608 188 1HB MET 24 HB2 MET 24 161.605 -4.416 -1.894 189 2HB MET 24 HB1 MET 24 160.667 -5.285 -0.695 190 1HG MET 24 HG2 MET 24 161.580 -7.394 -1.948 191 2HG MET 24 HG1 MET 24 162.831 -6.267 -2.483 192 1HE MET 24 HE1 MET 24 161.194 -5.744 1.157 193 2HE MET 24 HE2 MET 24 161.903 -7.157 1.941 194 3HE MET 24 HE3 MET 24 160.794 -7.364 0.585 195 H ALA 25 HN ALA 25 159.954 -2.989 -3.005 196 HA ALA 25 HA ALA 25 158.013 -2.109 -1.262 197 1HB ALA 25 HB1 ALA 25 159.583 -0.673 -2.552 198 2HB ALA 25 HB2 ALA 25 157.923 -0.076 -2.526 199 3HB ALA 25 HB3 ALA 25 158.546 -0.885 -3.964 200 H GLY 26 HN GLY 26 155.818 -1.664 -1.370 201 1HA GLY 26 HA2 GLY 26 153.683 -1.627 -2.372 202 2HA GLY 26 HA1 GLY 26 154.331 -2.532 -3.732 203 H GLU 27 HN GLU 27 154.892 -3.468 -0.420 204 HA GLU 27 HA GLU 27 152.776 -5.450 -0.448 205 1HB GLU 27 HB2 GLU 27 155.675 -6.136 -0.737 206 2HB GLU 27 HB1 GLU 27 154.617 -7.220 0.154 207 1HG GLU 27 HG2 GLU 27 154.104 -6.310 -2.665 208 2HG GLU 27 HG1 GLU 27 154.933 -7.806 -2.241 209 H ASN 28 HN ASN 28 155.527 -3.982 1.181 210 HA ASN 28 HA ASN 28 154.276 -4.654 3.762 211 1HB ASN 28 HB2 ASN 28 156.766 -5.456 2.930 212 2HB ASN 28 HB1 ASN 28 157.135 -3.985 3.842 213 1HD2 ASN 28 HD21 ASN 28 156.685 -7.251 4.053 214 2HD2 ASN 28 HD22 ASN 28 156.389 -7.384 5.750 215 H LEU 29 HN LEU 29 155.804 -2.210 1.792 216 HA LEU 29 HA LEU 29 156.010 -0.207 3.789 217 1HB LEU 29 HB2 LEU 29 157.363 -0.037 1.846 218 2HB LEU 29 HB1 LEU 29 155.979 -0.137 0.782 219 HG LEU 29 HG LEU 29 156.095 2.188 2.639 220 1HD1 LEU 29 HD11 LEU 29 158.222 2.609 2.006 221 2HD1 LEU 29 HD12 LEU 29 157.430 3.211 0.549 222 3HD1 LEU 29 HD13 LEU 29 158.117 1.587 0.573 223 1HD2 LEU 29 HD21 LEU 29 154.853 3.218 0.964 224 2HD2 LEU 29 HD22 LEU 29 154.312 1.548 0.861 225 3HD2 LEU 29 HD23 LEU 29 155.491 2.165 -0.294 226 H ASP 30 HN ASP 30 154.644 1.435 4.349 227 HA ASP 30 HA ASP 30 151.896 0.984 4.266 228 1HB ASP 30 HB2 ASP 30 153.665 3.158 5.177 229 2HB ASP 30 HB1 ASP 30 152.017 3.651 4.800 230 HA PRO 31 HA PRO 31 150.420 2.220 0.296 231 1HB PRO 31 HB2 PRO 31 148.163 3.624 1.247 232 2HB PRO 31 HB1 PRO 31 148.227 1.926 0.753 233 1HG PRO 31 HG2 PRO 31 148.363 3.121 3.474 234 2HG PRO 31 HG1 PRO 31 147.665 1.577 2.953 235 1HD PRO 31 HD2 PRO 31 149.996 1.677 4.259 236 2HD PRO 31 HD1 PRO 31 149.726 0.505 2.948 237 H ALA 32 HN ALA 32 149.886 4.776 2.746 238 HA ALA 32 HA ALA 32 149.921 6.970 1.081 239 1HB ALA 32 HB1 ALA 32 149.428 6.978 3.529 240 2HB ALA 32 HB2 ALA 32 150.468 8.299 2.996 241 3HB ALA 32 HB3 ALA 32 151.165 6.907 3.826 242 H ASP 33 HN ASP 33 152.633 5.242 2.485 243 HA ASP 33 HA ASP 33 154.649 7.001 1.546 244 1HB ASP 33 HB2 ASP 33 154.600 4.283 2.743 245 2HB ASP 33 HB1 ASP 33 156.034 4.709 1.809 246 H ILE 34 HN ILE 34 152.904 4.354 0.112 247 HA ILE 34 HA ILE 34 154.656 3.831 -2.049 248 HB ILE 34 HB ILE 34 151.658 3.448 -1.917 249 1HG1 ILE 34 HG12 ILE 34 153.944 1.551 -1.335 250 2HG1 ILE 34 HG11 ILE 34 152.816 2.223 -0.155 251 1HG2 ILE 34 HG21 ILE 34 151.931 1.890 -3.750 252 2HG2 ILE 34 HG22 ILE 34 153.668 2.189 -3.779 253 3HG2 ILE 34 HG23 ILE 34 152.544 3.477 -4.212 254 1HD1 ILE 34 HD11 ILE 34 151.517 0.795 -2.342 255 2HD1 ILE 34 HD12 ILE 34 151.270 0.683 -0.600 256 3HD1 ILE 34 HD13 ILE 34 152.589 -0.205 -1.363 257 H LEU 35 HN LEU 35 151.699 5.798 -1.832 258 HA LEU 35 HA LEU 35 151.685 6.785 -4.429 259 1HB LEU 35 HB2 LEU 35 149.804 7.042 -2.908 260 2HB LEU 35 HB1 LEU 35 150.747 8.111 -1.887 261 HG LEU 35 HG LEU 35 150.838 9.315 -4.397 262 1HD1 LEU 35 HD11 LEU 35 148.010 8.452 -3.826 263 2HD1 LEU 35 HD12 LEU 35 149.028 7.756 -5.087 264 3HD1 LEU 35 HD13 LEU 35 148.574 9.459 -5.160 265 1HD2 LEU 35 HD21 LEU 35 148.806 10.049 -2.327 266 2HD2 LEU 35 HD22 LEU 35 149.806 11.097 -3.332 267 3HD2 LEU 35 HD23 LEU 35 150.530 10.208 -1.991 268 H LEU 36 HN LEU 36 152.997 8.391 -1.519 269 HA LEU 36 HA LEU 36 154.032 10.654 -2.684 270 1HB LEU 36 HB2 LEU 36 154.085 9.593 -0.196 271 2HB LEU 36 HB1 LEU 36 155.765 9.395 -0.656 272 HG LEU 36 HG LEU 36 154.220 11.982 -0.519 273 1HD1 LEU 36 HD11 LEU 36 156.254 10.639 1.182 274 2HD1 LEU 36 HD12 LEU 36 154.842 11.590 1.642 275 3HD1 LEU 36 HD13 LEU 36 156.294 12.397 1.049 276 1HD2 LEU 36 HD21 LEU 36 156.359 13.055 -1.133 277 2HD2 LEU 36 HD22 LEU 36 155.687 12.073 -2.435 278 3HD2 LEU 36 HD23 LEU 36 157.033 11.461 -1.473 279 H PHE 37 HN PHE 37 155.474 7.451 -2.545 280 HA PHE 37 HA PHE 37 157.916 8.292 -3.821 281 1HB PHE 37 HB2 PHE 37 158.435 6.515 -2.488 282 2HB PHE 37 HB1 PHE 37 156.848 5.780 -2.665 283 HD1 PHE 37 HD1 PHE 37 159.554 6.652 -5.091 284 HD2 PHE 37 HD2 PHE 37 157.048 3.634 -3.441 285 HE1 PHE 37 HE1 PHE 37 160.491 5.013 -6.670 286 HE2 PHE 37 HE2 PHE 37 157.981 1.992 -5.016 287 HZ PHE 37 HZ PHE 37 159.705 2.681 -6.633 288 H ASN 38 HN ASN 38 154.936 6.671 -4.781 289 HA ASN 38 HA ASN 38 155.888 6.049 -7.417 290 1HB ASN 38 HB2 ASN 38 153.406 5.643 -5.878 291 2HB ASN 38 HB1 ASN 38 153.187 5.813 -7.617 292 1HD2 ASN 38 HD21 ASN 38 152.687 3.756 -8.115 293 2HD2 ASN 38 HD22 ASN 38 153.762 2.409 -7.894 294 H LEU 39 HN LEU 39 154.337 8.778 -5.948 295 HA LEU 39 HA LEU 39 153.410 9.859 -8.466 296 1HB LEU 39 HB2 LEU 39 152.210 11.320 -7.236 297 2HB LEU 39 HB1 LEU 39 152.429 10.068 -6.028 298 HG LEU 39 HG LEU 39 154.576 11.506 -5.448 299 1HD1 LEU 39 HD11 LEU 39 154.557 13.672 -6.079 300 2HD1 LEU 39 HD12 LEU 39 152.795 13.764 -6.109 301 3HD1 LEU 39 HD13 LEU 39 153.664 13.006 -7.449 302 1HD2 LEU 39 HD21 LEU 39 151.828 12.377 -4.581 303 2HD2 LEU 39 HD22 LEU 39 153.334 12.479 -3.667 304 3HD2 LEU 39 HD23 LEU 39 152.618 10.903 -4.017 305 H GLN 40 HN GLN 40 156.191 10.182 -6.382 306 HA GLN 40 HA GLN 40 157.444 11.844 -8.404 307 1HB GLN 40 HB2 GLN 40 158.198 13.542 -6.784 308 2HB GLN 40 HB1 GLN 40 156.452 13.527 -6.980 309 1HG GLN 40 HG2 GLN 40 156.383 12.081 -4.897 310 2HG GLN 40 HG1 GLN 40 158.074 12.526 -4.668 311 1HE2 GLN 40 HE21 GLN 40 157.560 13.602 -2.720 312 2HE2 GLN 40 HE22 GLN 40 156.777 15.140 -2.722 313 H PHE 41 HN PHE 41 158.929 10.292 -8.819 314 HA PHE 41 HA PHE 41 160.903 9.776 -6.697 315 1HB PHE 41 HB2 PHE 41 159.457 7.762 -7.111 316 2HB PHE 41 HB1 PHE 41 160.070 7.731 -8.766 317 HD1 PHE 41 HD1 PHE 41 161.535 8.068 -5.343 318 HD2 PHE 41 HD2 PHE 41 161.673 6.145 -9.136 319 HE1 PHE 41 HE1 PHE 41 163.465 6.739 -4.594 320 HE2 PHE 41 HE2 PHE 41 163.603 4.812 -8.394 321 HZ PHE 41 HZ PHE 41 164.501 5.107 -6.119 322 H GLU 42 HN GLU 42 160.188 9.937 -10.133 323 HA GLU 42 HA GLU 42 162.724 9.652 -11.207 324 1HB GLU 42 HB2 GLU 42 161.817 11.281 -13.012 325 2HB GLU 42 HB1 GLU 42 161.037 9.722 -12.797 326 1HG GLU 42 HG2 GLU 42 159.731 11.529 -11.077 327 2HG GLU 42 HG1 GLU 42 159.925 12.342 -12.627 328 H GLU 43 HN GLU 43 161.142 12.819 -10.772 329 HA GLU 43 HA GLU 43 163.507 14.298 -11.016 330 1HB GLU 43 HB2 GLU 43 160.916 14.960 -11.038 331 2HB GLU 43 HB1 GLU 43 161.292 15.415 -9.382 332 1HG GLU 43 HG2 GLU 43 161.609 17.365 -10.607 333 2HG GLU 43 HG1 GLU 43 163.237 16.734 -10.365 334 H ARG 44 HN ARG 44 161.817 13.040 -8.167 335 HA ARG 44 HA ARG 44 164.075 13.961 -6.515 336 1HB ARG 44 HB2 ARG 44 161.247 13.294 -5.674 337 2HB ARG 44 HB1 ARG 44 162.536 13.804 -4.593 338 1HG ARG 44 HG2 ARG 44 161.725 15.857 -4.883 339 2HG ARG 44 HG1 ARG 44 162.522 15.805 -6.456 340 1HD ARG 44 HD2 ARG 44 160.531 15.212 -7.561 341 2HD ARG 44 HD1 ARG 44 159.726 14.783 -6.052 342 HE ARG 44 HE ARG 44 159.112 16.965 -5.825 343 1HH1 ARG 44 HH11 ARG 44 161.810 16.812 -8.033 344 2HH1 ARG 44 HH12 ARG 44 161.746 18.497 -8.426 345 1HH2 ARG 44 HH21 ARG 44 159.025 19.182 -6.341 346 2HH2 ARG 44 HH22 ARG 44 160.165 19.843 -7.465 347 H GLY 45 HN GLY 45 164.930 11.872 -7.673 348 1HA GLY 45 HA2 GLY 45 164.183 9.510 -6.074 349 2HA GLY 45 HA1 GLY 45 164.958 9.456 -7.654 350 H GLY 46 HN GLY 46 165.599 8.578 -4.715 351 1HA GLY 46 HA2 GLY 46 168.444 9.156 -4.996 352 2HA GLY 46 HA1 GLY 46 167.674 9.707 -3.517 353 H VAL 47 HN VAL 47 169.781 7.650 -4.137 354 HA VAL 47 HA VAL 47 168.715 5.590 -2.376 355 HB VAL 47 HB VAL 47 170.103 4.870 -4.965 356 1HG1 VAL 47 HG11 VAL 47 168.930 2.604 -4.063 357 2HG1 VAL 47 HG12 VAL 47 169.352 3.387 -2.540 358 3HG1 VAL 47 HG13 VAL 47 170.604 3.053 -3.735 359 1HG2 VAL 47 HG21 VAL 47 167.995 5.506 -5.692 360 2HG2 VAL 47 HG22 VAL 47 167.207 4.950 -4.215 361 3HG2 VAL 47 HG23 VAL 47 167.793 3.779 -5.397 362 H GLU 48 HN GLU 48 170.138 6.722 -0.928 363 HA GLU 48 HA GLU 48 172.947 6.861 -1.465 364 1HB GLU 48 HB2 GLU 48 173.152 7.734 0.781 365 2HB GLU 48 HB1 GLU 48 171.785 8.492 -0.022 366 1HG GLU 48 HG2 GLU 48 170.227 7.259 1.231 367 2HG GLU 48 HG1 GLU 48 171.457 6.130 1.795 368 H PHE 49 HN PHE 49 174.584 5.619 -0.737 369 HA PHE 49 HA PHE 49 173.841 3.019 0.408 370 1HB PHE 49 HB2 PHE 49 175.044 2.975 -1.749 371 2HB PHE 49 HB1 PHE 49 176.384 3.846 -1.011 372 HD1 PHE 49 HD1 PHE 49 178.136 2.670 -0.074 373 HD2 PHE 49 HD2 PHE 49 174.399 0.720 -0.655 374 HE1 PHE 49 HE1 PHE 49 179.148 0.535 0.611 375 HE2 PHE 49 HE2 PHE 49 175.404 -1.419 0.029 376 HZ PHE 49 HZ PHE 49 177.781 -1.513 0.664 377 H VAL 50 HN VAL 50 173.724 3.670 2.575 378 HA VAL 50 HA VAL 50 176.072 4.875 3.800 379 HB VAL 50 HB VAL 50 174.638 4.585 5.935 380 1HG1 VAL 50 HG11 VAL 50 173.976 6.451 3.677 381 2HG1 VAL 50 HG12 VAL 50 174.989 6.750 5.089 382 3HG1 VAL 50 HG13 VAL 50 173.241 6.596 5.274 383 1HG2 VAL 50 HG21 VAL 50 172.396 4.106 5.766 384 2HG2 VAL 50 HG22 VAL 50 173.070 3.011 4.560 385 3HG2 VAL 50 HG23 VAL 50 172.323 4.526 4.055 386 H GLU 51 HN GLU 51 176.633 3.909 6.050 387 HA GLU 51 HA GLU 51 177.232 1.076 5.604 388 1HB GLU 51 HB2 GLU 51 179.047 1.358 7.167 389 2HB GLU 51 HB1 GLU 51 179.114 2.656 5.983 390 1HG GLU 51 HG2 GLU 51 177.557 3.673 8.044 391 2HG GLU 51 HG1 GLU 51 178.849 2.787 8.851 392 H THR 52 HN THR 52 177.522 -0.130 7.817 393 HA THR 52 HA THR 52 174.971 -0.445 8.933 394 HB THR 52 HB THR 52 177.568 -1.262 10.237 395 HG1 THR 52 HG1 THR 52 177.714 -2.077 8.216 396 1HG2 THR 52 HG21 THR 52 174.762 -1.951 10.669 397 2HG2 THR 52 HG22 THR 52 176.155 -2.107 11.740 398 3HG2 THR 52 HG23 THR 52 175.842 -3.337 10.515 399 H ALA 53 HN ALA 53 174.235 -0.042 11.083 400 HA ALA 53 HA ALA 53 174.903 2.587 12.010 401 1HB ALA 53 HB1 ALA 53 172.962 2.495 13.184 402 2HB ALA 53 HB2 ALA 53 173.219 0.824 13.692 403 3HB ALA 53 HB3 ALA 53 172.630 1.173 12.065 404 H ASP 54 HN ASP 54 174.424 1.860 14.880 405 HA ASP 54 HA ASP 54 177.199 1.277 15.520 406 1HB ASP 54 HB2 ASP 54 175.213 2.914 16.659 407 2HB ASP 54 HB1 ASP 54 175.498 1.631 17.832 408 H ASP 55 HN ASP 55 173.978 -0.072 15.986 409 HA ASP 55 HA ASP 55 175.147 -2.679 16.481 410 1HB ASP 55 HB2 ASP 55 173.754 -3.044 18.517 411 2HB ASP 55 HB1 ASP 55 175.013 -1.833 18.739 412 H TRP 56 HN TRP 56 172.287 -0.683 15.997 413 HA TRP 56 HA TRP 56 170.401 -1.012 14.785 414 1HB TRP 56 HB2 TRP 56 172.199 -3.085 13.766 415 2HB TRP 56 HB1 TRP 56 170.493 -3.513 13.636 416 HD1 TRP 56 HD1 TRP 56 173.135 -1.285 12.130 417 HE1 TRP 56 HE1 TRP 56 172.151 -0.036 10.107 418 HE3 TRP 56 HE3 TRP 56 168.201 -2.459 12.767 419 HZ2 TRP 56 HZ2 TRP 56 169.619 0.391 8.932 420 HZ3 TRP 56 HZ3 TRP 56 166.563 -1.595 11.147 421 HH2 TRP 56 HH2 TRP 56 167.257 -0.199 9.268 422 H GLU 57 HN GLU 57 171.241 -2.680 17.451 423 HA GLU 57 HA GLU 57 169.191 -4.669 17.546 424 1HB GLU 57 HB2 GLU 57 170.903 -3.445 19.713 425 2HB GLU 57 HB1 GLU 57 169.790 -4.781 19.977 426 1HG GLU 57 HG2 GLU 57 171.045 -6.144 18.388 427 2HG GLU 57 HG1 GLU 57 172.160 -4.805 18.120 428 H GLU 58 HN GLU 58 167.692 -2.748 16.750 429 HA GLU 58 HA GLU 58 165.931 -2.199 18.948 430 1HB GLU 58 HB2 GLU 58 167.703 -0.124 17.832 431 2HB GLU 58 HB1 GLU 58 166.016 0.343 17.992 432 1HG GLU 58 HG2 GLU 58 167.033 -0.987 20.364 433 2HG GLU 58 HG1 GLU 58 167.942 0.467 19.954 434 H GLU 59 HN GLU 59 166.724 -1.291 15.603 435 HA GLU 59 HA GLU 59 163.980 -0.970 14.852 436 1HB GLU 59 HB2 GLU 59 166.520 -1.120 13.230 437 2HB GLU 59 HB1 GLU 59 164.937 -0.811 12.532 438 1HG GLU 59 HG2 GLU 59 165.821 0.923 14.766 439 2HG GLU 59 HG1 GLU 59 166.598 1.135 13.198 440 H ILE 60 HN ILE 60 166.380 -3.136 13.349 441 HA ILE 60 HA ILE 60 164.331 -4.947 12.504 442 HB ILE 60 HB ILE 60 166.151 -6.322 11.618 443 1HG1 ILE 60 HG12 ILE 60 168.016 -4.284 12.853 444 2HG1 ILE 60 HG11 ILE 60 167.747 -5.906 13.490 445 1HG2 ILE 60 HG21 ILE 60 165.735 -4.853 9.968 446 2HG2 ILE 60 HG22 ILE 60 167.322 -4.211 10.394 447 3HG2 ILE 60 HG23 ILE 60 165.863 -3.456 11.037 448 1HD1 ILE 60 HD11 ILE 60 169.703 -6.119 12.279 449 2HD1 ILE 60 HD12 ILE 60 169.136 -5.069 10.980 450 3HD1 ILE 60 HD13 ILE 60 168.478 -6.697 11.151 451 H GLY 61 HN GLY 61 166.686 -4.870 15.115 452 1HA GLY 61 HA2 GLY 61 166.585 -6.021 17.132 453 2HA GLY 61 HA1 GLY 61 165.209 -6.923 16.517 454 H VAL 62 HN VAL 62 168.728 -6.662 16.398 455 HA VAL 62 HA VAL 62 169.345 -9.277 16.802 456 HB VAL 62 HB VAL 62 170.112 -9.721 14.254 457 1HG1 VAL 62 HG11 VAL 62 168.893 -11.571 14.492 458 2HG1 VAL 62 HG12 VAL 62 167.392 -10.675 14.730 459 3HG1 VAL 62 HG13 VAL 62 168.498 -10.922 16.083 460 1HG2 VAL 62 HG21 VAL 62 168.781 -8.892 12.640 461 2HG2 VAL 62 HG22 VAL 62 168.488 -7.613 13.816 462 3HG2 VAL 62 HG23 VAL 62 167.338 -8.939 13.654 463 H LEU 63 HN LEU 63 171.565 -9.700 16.677 464 HA LEU 63 HA LEU 63 173.208 -7.378 16.730 465 1HB LEU 63 HB2 LEU 63 173.764 -10.325 16.910 466 2HB LEU 63 HB1 LEU 63 175.068 -9.154 16.874 467 HG LEU 63 HG LEU 63 173.005 -8.561 18.874 468 1HD1 LEU 63 HD11 LEU 63 173.516 -10.304 20.397 469 2HD1 LEU 63 HD12 LEU 63 174.774 -10.949 19.343 470 3HD1 LEU 63 HD13 LEU 63 173.079 -11.074 18.872 471 1HD2 LEU 63 HD21 LEU 63 175.293 -7.487 18.534 472 2HD2 LEU 63 HD22 LEU 63 175.957 -8.950 19.263 473 3HD2 LEU 63 HD23 LEU 63 174.846 -7.932 20.181 474 H ILE 64 HN ILE 64 174.113 -6.365 15.072 475 HA ILE 64 HA ILE 64 174.691 -7.906 12.626 476 HB ILE 64 HB ILE 64 173.876 -5.002 12.678 477 1HG1 ILE 64 HG12 ILE 64 172.016 -6.432 13.438 478 2HG1 ILE 64 HG11 ILE 64 171.690 -5.726 11.858 479 1HG2 ILE 64 HG21 ILE 64 173.668 -6.742 10.282 480 2HG2 ILE 64 HG22 ILE 64 175.272 -6.200 10.777 481 3HG2 ILE 64 HG23 ILE 64 174.017 -5.018 10.405 482 1HD1 ILE 64 HD11 ILE 64 171.907 -7.746 10.769 483 2HD1 ILE 64 HD12 ILE 64 171.137 -8.210 12.286 484 3HD1 ILE 64 HD13 ILE 64 172.868 -8.460 12.063 485 H ASP 65 HN ASP 65 176.819 -8.080 12.416 486 HA ASP 65 HA ASP 65 178.698 -6.402 13.685 487 1HB ASP 65 HB2 ASP 65 178.832 -8.580 11.651 488 2HB ASP 65 HB1 ASP 65 180.250 -7.562 11.880 489 HA PRO 66 HA PRO 66 178.351 -3.004 10.747 490 1HB PRO 66 HB2 PRO 66 180.414 -1.541 11.822 491 2HB PRO 66 HB1 PRO 66 178.747 -1.503 12.419 492 1HG PRO 66 HG2 PRO 66 181.101 -3.025 13.463 493 2HG PRO 66 HG1 PRO 66 179.827 -2.176 14.357 494 1HD PRO 66 HD2 PRO 66 179.824 -4.851 14.078 495 2HD PRO 66 HD1 PRO 66 178.317 -3.913 14.101 496 H GLU 67 HN GLU 67 179.535 -2.279 8.986 497 HA GLU 67 HA GLU 67 181.183 -2.207 7.402 498 1HB GLU 67 HB2 GLU 67 182.932 -3.884 9.197 499 2HB GLU 67 HB1 GLU 67 183.429 -2.839 7.875 500 1HG GLU 67 HG2 GLU 67 183.220 -0.932 9.111 501 2HG GLU 67 HG1 GLU 67 181.989 -1.620 10.169 502 H GLU 68 HN GLU 68 180.353 -5.217 8.959 503 HA GLU 68 HA GLU 68 181.132 -6.820 6.681 504 1HB GLU 68 HB2 GLU 68 180.052 -7.352 9.415 505 2HB GLU 68 HB1 GLU 68 179.858 -8.591 8.177 506 1HG GLU 68 HG2 GLU 68 182.255 -8.668 7.844 507 2HG GLU 68 HG1 GLU 68 182.475 -7.367 9.020 508 H TYR 69 HN TYR 69 178.687 -4.764 7.057 509 HA TYR 69 HA TYR 69 176.918 -6.351 5.354 510 1HB TYR 69 HB2 TYR 69 176.159 -5.062 7.960 511 2HB TYR 69 HB1 TYR 69 174.957 -5.306 6.685 512 HD1 TYR 69 HD1 TYR 69 177.074 -6.934 9.183 513 HD2 TYR 69 HD2 TYR 69 174.260 -7.558 6.055 514 HE1 TYR 69 HE1 TYR 69 176.750 -9.249 9.945 515 HE2 TYR 69 HE2 TYR 69 173.926 -9.874 6.808 516 HH TYR 69 HH TYR 69 175.915 -11.517 8.641 517 H ALA 70 HN ALA 70 175.542 -5.148 4.015 518 HA ALA 70 HA ALA 70 176.488 -2.415 3.532 519 1HB ALA 70 HB1 ALA 70 175.401 -4.570 1.831 520 2HB ALA 70 HB2 ALA 70 176.653 -3.375 1.491 521 3HB ALA 70 HB3 ALA 70 174.951 -2.923 1.391 522 H GLU 71 HN GLU 71 175.222 -0.675 3.819 523 HA GLU 71 HA GLU 71 172.391 -1.152 4.480 524 1HB GLU 71 HB2 GLU 71 173.635 -0.375 6.414 525 2HB GLU 71 HB1 GLU 71 174.288 0.974 5.499 526 1HG GLU 71 HG2 GLU 71 172.646 2.097 6.539 527 2HG GLU 71 HG1 GLU 71 171.668 1.476 5.211 528 H VAL 72 HN VAL 72 171.163 -0.581 2.801 529 HA VAL 72 HA VAL 72 171.900 1.843 1.298 530 HB VAL 72 HB VAL 72 171.896 -0.316 0.011 531 1HG1 VAL 72 HG11 VAL 72 170.139 -1.684 -0.067 532 2HG1 VAL 72 HG12 VAL 72 169.013 -0.355 -0.344 533 3HG1 VAL 72 HG13 VAL 72 169.501 -0.769 1.299 534 1HG2 VAL 72 HG21 VAL 72 169.774 1.424 -1.146 535 2HG2 VAL 72 HG22 VAL 72 171.204 0.728 -1.909 536 3HG2 VAL 72 HG23 VAL 72 171.366 2.116 -0.833 537 H TRP 73 HN TRP 73 170.467 3.479 1.123 538 HA TRP 73 HA TRP 73 167.811 3.087 2.342 539 1HB TRP 73 HB2 TRP 73 169.778 5.344 2.522 540 2HB TRP 73 HB1 TRP 73 168.058 5.682 2.681 541 HD1 TRP 73 HD1 TRP 73 169.173 2.389 4.130 542 HE1 TRP 73 HE1 TRP 73 169.153 2.531 6.697 543 HE3 TRP 73 HE3 TRP 73 168.495 7.428 4.661 544 HZ2 TRP 73 HZ2 TRP 73 168.881 4.508 8.680 545 HZ3 TRP 73 HZ3 TRP 73 168.365 8.365 6.932 546 HH2 TRP 73 HH2 TRP 73 168.557 6.934 8.901 547 H VAL 74 HN VAL 74 166.039 3.747 1.178 548 HA VAL 74 HA VAL 74 166.521 5.306 -1.255 549 HB VAL 74 HB VAL 74 164.816 2.815 -1.181 550 1HG1 VAL 74 HG11 VAL 74 164.881 5.116 -2.933 551 2HG1 VAL 74 HG12 VAL 74 163.735 3.775 -2.874 552 3HG1 VAL 74 HG13 VAL 74 165.221 3.622 -3.812 553 1HG2 VAL 74 HG21 VAL 74 166.855 2.735 -3.164 554 2HG2 VAL 74 HG22 VAL 74 166.631 1.674 -1.773 555 3HG2 VAL 74 HG23 VAL 74 167.604 3.136 -1.619 556 H GLY 75 HN GLY 75 165.462 7.079 -0.917 557 1HA GLY 75 HA2 GLY 75 162.617 6.913 -0.157 558 2HA GLY 75 HA1 GLY 75 163.673 8.016 0.708 559 H LEU 76 HN LEU 76 163.658 10.022 0.052 560 HA LEU 76 HA LEU 76 163.433 10.695 -2.765 561 1HB LEU 76 HB2 LEU 76 161.168 10.836 -0.996 562 2HB LEU 76 HB1 LEU 76 161.638 12.462 -1.441 563 HG LEU 76 HG LEU 76 161.217 12.074 -3.732 564 1HD1 LEU 76 HD11 LEU 76 160.843 9.144 -3.138 565 2HD1 LEU 76 HD12 LEU 76 162.281 9.845 -3.876 566 3HD1 LEU 76 HD13 LEU 76 160.735 9.930 -4.712 567 1HD2 LEU 76 HD21 LEU 76 158.882 10.760 -3.487 568 2HD2 LEU 76 HD22 LEU 76 159.119 12.440 -3.003 569 3HD2 LEU 76 HD23 LEU 76 159.197 11.156 -1.797 570 H VAL 77 HN VAL 77 164.036 12.944 -3.187 571 HA VAL 77 HA VAL 77 165.222 14.338 -0.902 572 HB VAL 77 HB VAL 77 167.295 14.777 -2.156 573 1HG1 VAL 77 HG11 VAL 77 167.394 11.879 -2.257 574 2HG1 VAL 77 HG12 VAL 77 166.601 12.470 -0.797 575 3HG1 VAL 77 HG13 VAL 77 168.236 13.003 -1.189 576 1HG2 VAL 77 HG21 VAL 77 165.914 14.033 -4.370 577 2HG2 VAL 77 HG22 VAL 77 166.872 12.585 -4.064 578 3HG2 VAL 77 HG23 VAL 77 167.672 14.142 -4.279 579 H ASN 78 HN ASN 78 166.314 16.470 -1.925 580 HA ASN 78 HA ASN 78 164.267 17.677 -3.667 581 1HB ASN 78 HB2 ASN 78 165.193 19.847 -2.413 582 2HB ASN 78 HB1 ASN 78 163.881 18.876 -1.756 583 1HD2 ASN 78 HD21 ASN 78 164.298 19.440 0.351 584 2HD2 ASN 78 HD22 ASN 78 165.687 18.882 1.214 585 H GLU 79 HN GLU 79 165.366 20.024 -4.330 586 HA GLU 79 HA GLU 79 167.312 19.303 -6.260 587 1HB GLU 79 HB2 GLU 79 165.646 21.549 -5.705 588 2HB GLU 79 HB1 GLU 79 167.294 22.131 -5.894 589 1HG GLU 79 HG2 GLU 79 167.156 20.488 -8.006 590 2HG GLU 79 HG1 GLU 79 165.458 20.945 -7.871 591 H GLN 80 HN GLN 80 167.503 20.524 -3.025 592 HA GLN 80 HA GLN 80 170.218 21.446 -3.236 593 1HB GLN 80 HB2 GLN 80 170.035 21.561 -0.708 594 2HB GLN 80 HB1 GLN 80 168.903 22.558 -1.617 595 1HG GLN 80 HG2 GLN 80 167.118 21.030 -1.210 596 2HG GLN 80 HG1 GLN 80 168.222 19.847 -0.510 597 1HE2 GLN 80 HE21 GLN 80 166.627 22.911 -0.038 598 2HE2 GLN 80 HE22 GLN 80 166.854 22.992 1.672 599 H ASP 81 HN ASP 81 168.817 18.399 -3.019 600 HA ASP 81 HA ASP 81 169.709 16.321 -2.789 601 1HB ASP 81 HB2 ASP 81 171.808 17.751 -3.725 602 2HB ASP 81 HB1 ASP 81 172.456 17.229 -2.172 603 H GLU 82 HN GLU 82 168.580 15.977 -0.874 604 HA GLU 82 HA GLU 82 170.279 15.794 1.491 605 1HB GLU 82 HB2 GLU 82 168.121 17.697 1.181 606 2HB GLU 82 HB1 GLU 82 167.781 16.586 2.500 607 1HG GLU 82 HG2 GLU 82 169.892 17.143 3.551 608 2HG GLU 82 HG1 GLU 82 170.300 18.205 2.204 609 H MET 83 HN MET 83 169.672 14.142 2.927 610 HA MET 83 HA MET 83 167.521 12.384 1.947 611 1HB MET 83 HB2 MET 83 170.081 11.698 1.788 612 2HB MET 83 HB1 MET 83 169.823 11.254 3.469 613 1HG MET 83 HG2 MET 83 169.273 9.281 2.538 614 2HG MET 83 HG1 MET 83 167.697 10.058 2.397 615 1HE MET 83 HE1 MET 83 168.170 7.564 0.303 616 2HE MET 83 HE2 MET 83 167.293 8.463 -0.935 617 3HE MET 83 HE3 MET 83 166.818 8.601 0.757 618 H ASP 84 HN ASP 84 166.109 13.509 3.422 619 HA ASP 84 HA ASP 84 166.508 12.689 6.227 620 1HB ASP 84 HB2 ASP 84 164.793 15.027 5.413 621 2HB ASP 84 HB1 ASP 84 165.472 14.660 6.995 622 H ASP 85 HN ASP 85 164.704 12.118 3.496 623 HA ASP 85 HA ASP 85 162.473 11.077 5.103 624 1HB ASP 85 HB2 ASP 85 162.380 12.998 2.964 625 2HB ASP 85 HB1 ASP 85 161.528 11.529 2.471 626 H VAL 86 HN VAL 86 163.544 9.070 5.177 627 HA VAL 86 HA VAL 86 164.053 7.679 2.671 628 HB VAL 86 HB VAL 86 165.744 7.263 4.264 629 1HG1 VAL 86 HG11 VAL 86 164.757 8.048 6.265 630 2HG1 VAL 86 HG12 VAL 86 165.213 6.369 6.547 631 3HG1 VAL 86 HG13 VAL 86 163.527 6.784 6.236 632 1HG2 VAL 86 HG21 VAL 86 165.640 4.880 4.677 633 2HG2 VAL 86 HG22 VAL 86 164.979 5.246 3.083 634 3HG2 VAL 86 HG23 VAL 86 163.894 4.887 4.426 635 H PHE 87 HN PHE 87 162.751 6.194 1.789 636 HA PHE 87 HA PHE 87 160.168 5.709 3.037 637 1HB PHE 87 HB2 PHE 87 161.306 5.278 0.293 638 2HB PHE 87 HB1 PHE 87 159.823 4.458 0.774 639 HD1 PHE 87 HD1 PHE 87 160.836 7.031 -1.104 640 HD2 PHE 87 HD2 PHE 87 158.323 6.328 2.254 641 HE1 PHE 87 HE1 PHE 87 159.546 9.053 -1.652 642 HE2 PHE 87 HE2 PHE 87 157.027 8.339 1.715 643 HZ PHE 87 HZ PHE 87 157.640 9.715 -0.244 644 H ALA 88 HN ALA 88 163.040 3.974 2.039 645 HA ALA 88 HA ALA 88 162.253 1.726 3.723 646 1HB ALA 88 HB1 ALA 88 163.436 0.922 1.147 647 2HB ALA 88 HB2 ALA 88 161.780 1.522 1.071 648 3HB ALA 88 HB3 ALA 88 162.174 0.151 2.108 649 H LYS 89 HN LYS 89 164.134 0.245 4.138 650 HA LYS 89 HA LYS 89 166.750 1.355 3.552 651 1HB LYS 89 HB2 LYS 89 166.305 0.570 6.384 652 2HB LYS 89 HB1 LYS 89 167.367 1.799 5.720 653 1HG LYS 89 HG2 LYS 89 165.149 3.070 5.228 654 2HG LYS 89 HG1 LYS 89 164.480 1.987 6.449 655 1HD LYS 89 HD2 LYS 89 166.678 2.788 7.741 656 2HD LYS 89 HD1 LYS 89 166.418 4.206 6.722 657 1HE LYS 89 HE2 LYS 89 164.434 2.975 8.631 658 2HE LYS 89 HE1 LYS 89 165.306 4.488 8.862 659 1HZ LYS 89 HZ1 LYS 89 163.680 5.522 7.801 660 2HZ LYS 89 HZ2 LYS 89 162.872 4.061 7.532 661 3HZ LYS 89 HZ3 LYS 89 163.996 4.625 6.401 662 H PHE 90 HN PHE 90 168.138 -0.349 3.141 663 HA PHE 90 HA PHE 90 167.189 -3.007 3.991 664 1HB PHE 90 HB2 PHE 90 168.872 -2.595 1.541 665 2HB PHE 90 HB1 PHE 90 167.851 -3.961 1.959 666 HD1 PHE 90 HD1 PHE 90 167.489 -0.285 1.349 667 HD2 PHE 90 HD2 PHE 90 165.916 -4.198 0.778 668 HE1 PHE 90 HE1 PHE 90 165.678 0.648 -0.027 669 HE2 PHE 90 HE2 PHE 90 164.102 -3.272 -0.603 670 HZ PHE 90 HZ PHE 90 163.981 -0.845 -1.004 671 H LEU 91 HN LEU 91 168.643 -4.570 4.551 672 HA LEU 91 HA LEU 91 171.447 -3.765 4.932 673 1HB LEU 91 HB2 LEU 91 169.714 -5.272 6.900 674 2HB LEU 91 HB1 LEU 91 171.446 -5.052 7.057 675 HG LEU 91 HG LEU 91 169.522 -2.736 6.968 676 1HD1 LEU 91 HD11 LEU 91 170.678 -3.986 9.449 677 2HD1 LEU 91 HD12 LEU 91 169.050 -4.323 8.859 678 3HD1 LEU 91 HD13 LEU 91 169.492 -2.685 9.339 679 1HD2 LEU 91 HD21 LEU 91 171.529 -1.769 8.299 680 2HD2 LEU 91 HD22 LEU 91 171.637 -1.906 6.544 681 3HD2 LEU 91 HD23 LEU 91 172.426 -3.102 7.572 682 H ILE 92 HN ILE 92 172.686 -5.146 3.778 683 HA ILE 92 HA ILE 92 171.764 -7.932 3.558 684 HB ILE 92 HB ILE 92 173.046 -7.732 1.219 685 1HG1 ILE 92 HG12 ILE 92 172.103 -4.940 1.868 686 2HG1 ILE 92 HG11 ILE 92 173.664 -5.451 1.235 687 1HG2 ILE 92 HG21 ILE 92 170.852 -7.461 0.167 688 2HG2 ILE 92 HG22 ILE 92 170.190 -6.881 1.696 689 3HG2 ILE 92 HG23 ILE 92 170.771 -8.540 1.560 690 1HD1 ILE 92 HD11 ILE 92 172.569 -6.041 -0.887 691 2HD1 ILE 92 HD12 ILE 92 172.390 -4.336 -0.474 692 3HD1 ILE 92 HD13 ILE 92 171.041 -5.447 -0.237 693 H SER 93 HN SER 93 173.291 -9.523 3.407 694 HA SER 93 HA SER 93 175.825 -8.930 4.648 695 1HB SER 93 HB2 SER 93 175.308 -11.656 3.598 696 2HB SER 93 HB1 SER 93 175.919 -11.151 5.173 697 HG SER 93 HG SER 93 173.956 -11.692 5.753 698 H HIS 94 HN HIS 94 177.625 -8.471 3.598 699 HA HIS 94 HA HIS 94 177.836 -8.316 0.823 700 1HB HIS 94 HB2 HIS 94 179.939 -8.374 2.986 701 2HB HIS 94 HB1 HIS 94 180.325 -8.112 1.284 702 HD1 HIS 94 HD1 HIS 94 179.357 -5.910 0.197 703 HD2 HIS 94 HD2 HIS 94 178.955 -6.156 4.322 704 HE1 HIS 94 HE1 HIS 94 178.858 -3.571 0.965 705 HE2 HIS 94 HE2 HIS 94 178.693 -3.731 3.472 706 H ARG 95 HN ARG 95 178.067 -11.072 2.822 707 HA ARG 95 HA ARG 95 179.952 -12.669 1.593 708 1HB ARG 95 HB2 ARG 95 177.429 -13.177 3.078 709 2HB ARG 95 HB1 ARG 95 178.114 -14.525 2.179 710 1HG ARG 95 HG2 ARG 95 179.703 -14.850 3.698 711 2HG ARG 95 HG1 ARG 95 180.122 -13.137 3.738 712 1HD ARG 95 HD2 ARG 95 179.048 -12.859 5.666 713 2HD ARG 95 HD1 ARG 95 177.578 -13.574 5.007 714 HE ARG 95 HE ARG 95 179.589 -15.495 5.753 715 1HH1 ARG 95 HH11 ARG 95 176.864 -13.611 6.856 716 2HH1 ARG 95 HH12 ARG 95 176.493 -14.683 8.163 717 1HH2 ARG 95 HH21 ARG 95 179.101 -16.905 7.473 718 2HH2 ARG 95 HH22 ARG 95 177.763 -16.553 8.515 719 H GLU 96 HN GLU 96 179.061 -14.840 0.403 720 HA GLU 96 HA GLU 96 177.517 -13.913 -1.929 721 1HB GLU 96 HB2 GLU 96 180.192 -14.531 -1.960 722 2HB GLU 96 HB1 GLU 96 179.457 -16.047 -2.463 723 1HG GLU 96 HG2 GLU 96 178.101 -14.225 -3.978 724 2HG GLU 96 HG1 GLU 96 179.712 -13.515 -3.889 725 H GLU 97 HN GLU 97 178.704 -16.908 -0.376 726 HA GLU 97 HA GLU 97 176.534 -18.435 -1.459 727 1HB GLU 97 HB2 GLU 97 177.482 -20.303 -0.220 728 2HB GLU 97 HB1 GLU 97 178.724 -19.449 -1.121 729 1HG GLU 97 HG2 GLU 97 179.186 -18.193 1.049 730 2HG GLU 97 HG1 GLU 97 178.214 -19.441 1.829 731 H ASP 98 HN ASP 98 176.597 -16.313 0.892 732 HA ASP 98 HA ASP 98 174.151 -17.254 2.074 733 1HB ASP 98 HB2 ASP 98 176.385 -18.074 3.379 734 2HB ASP 98 HB1 ASP 98 176.126 -16.512 4.151 735 H ARG 99 HN ARG 99 173.009 -15.449 1.621 736 HA ARG 99 HA ARG 99 174.074 -12.917 2.662 737 1HB ARG 99 HB2 ARG 99 174.348 -12.760 0.294 738 2HB ARG 99 HB1 ARG 99 172.745 -13.427 -0.005 739 1HG ARG 99 HG2 ARG 99 172.027 -11.239 1.354 740 2HG ARG 99 HG1 ARG 99 173.559 -10.665 0.694 741 1HD ARG 99 HD2 ARG 99 171.668 -10.125 -0.767 742 2HD ARG 99 HD1 ARG 99 172.820 -11.207 -1.553 743 HE ARG 99 HE ARG 99 170.896 -12.821 -0.400 744 1HH1 ARG 99 HH11 ARG 99 170.998 -10.308 -2.820 745 2HH1 ARG 99 HH12 ARG 99 169.655 -10.940 -3.712 746 1HH2 ARG 99 HH21 ARG 99 169.130 -13.653 -1.574 747 2HH2 ARG 99 HH22 ARG 99 168.595 -12.838 -3.005 748 H GLU 100 HN GLU 100 172.811 -12.142 4.176 749 HA GLU 100 HA GLU 100 169.957 -12.848 4.179 750 1HB GLU 100 HB2 GLU 100 171.750 -13.122 6.201 751 2HB GLU 100 HB1 GLU 100 171.121 -11.519 6.550 752 1HG GLU 100 HG2 GLU 100 169.970 -13.382 7.735 753 2HG GLU 100 HG1 GLU 100 168.909 -12.340 6.789 754 H PHE 101 HN PHE 101 168.486 -11.317 3.771 755 HA PHE 101 HA PHE 101 169.377 -8.513 3.842 756 1HB PHE 101 HB2 PHE 101 168.031 -8.028 1.940 757 2HB PHE 101 HB1 PHE 101 168.941 -9.482 1.552 758 HD1 PHE 101 HD1 PHE 101 167.762 -11.724 1.802 759 HD2 PHE 101 HD2 PHE 101 165.711 -7.995 1.797 760 HE1 PHE 101 HE1 PHE 101 165.664 -12.883 1.243 761 HE2 PHE 101 HE2 PHE 101 163.609 -9.146 1.240 762 HZ PHE 101 HZ PHE 101 163.584 -11.594 0.963 763 H HIS 102 HN HIS 102 168.108 -7.010 4.820 764 HA HIS 102 HA HIS 102 165.420 -7.727 5.669 765 1HB HIS 102 HB2 HIS 102 166.128 -6.758 8.029 766 2HB HIS 102 HB1 HIS 102 166.303 -8.465 7.649 767 HD1 HIS 102 HD1 HIS 102 168.067 -6.037 9.349 768 HD2 HIS 102 HD2 HIS 102 169.162 -8.697 6.351 769 HE1 HIS 102 HE1 HIS 102 170.563 -6.277 9.542 770 HE2 HIS 102 HE2 HIS 102 171.190 -7.962 7.777 771 H VAL 103 HN VAL 103 164.443 -6.131 4.636 772 HA VAL 103 HA VAL 103 165.461 -3.401 4.893 773 HB VAL 103 HB VAL 103 164.955 -4.205 2.628 774 1HG1 VAL 103 HG11 VAL 103 162.573 -4.460 1.961 775 2HG1 VAL 103 HG12 VAL 103 162.135 -4.407 3.669 776 3HG1 VAL 103 HG13 VAL 103 163.147 -5.717 3.058 777 1HG2 VAL 103 HG21 VAL 103 163.216 -2.297 2.117 778 2HG2 VAL 103 HG22 VAL 103 164.856 -1.916 2.640 779 3HG2 VAL 103 HG23 VAL 103 163.527 -1.869 3.796 780 H ILE 104 HN ILE 104 164.259 -1.687 5.688 781 HA ILE 104 HA ILE 104 161.765 -2.412 7.083 782 HB ILE 104 HB ILE 104 162.517 -0.287 8.513 783 1HG1 ILE 104 HG12 ILE 104 165.194 -1.511 8.437 784 2HG1 ILE 104 HG11 ILE 104 164.782 -0.595 6.993 785 1HG2 ILE 104 HG21 ILE 104 161.955 -2.642 9.220 786 2HG2 ILE 104 HG22 ILE 104 163.101 -1.774 10.243 787 3HG2 ILE 104 HG23 ILE 104 163.680 -2.991 9.105 788 1HD1 ILE 104 HD11 ILE 104 165.361 0.322 9.695 789 2HD1 ILE 104 HD12 ILE 104 163.998 1.115 8.906 790 3HD1 ILE 104 HD13 ILE 104 165.584 1.113 8.137 791 H TRP 105 HN TRP 105 160.009 -1.222 6.641 792 HA TRP 105 HA TRP 105 160.352 1.125 4.899 793 1HB TRP 105 HB2 TRP 105 157.800 -0.426 5.344 794 2HB TRP 105 HB1 TRP 105 158.141 0.728 4.065 795 HD1 TRP 105 HD1 TRP 105 158.737 -2.892 5.076 796 HE1 TRP 105 HE1 TRP 105 159.636 -4.196 3.049 797 HE3 TRP 105 HE3 TRP 105 159.546 1.020 1.860 798 HZ2 TRP 105 HZ2 TRP 105 160.559 -3.647 0.443 799 HZ3 TRP 105 HZ3 TRP 105 160.425 0.538 -0.368 800 HH2 TRP 105 HH2 TRP 105 160.931 -1.747 -1.068 801 H LYS 106 HN LYS 106 159.052 3.005 5.248 802 HA LYS 106 HA LYS 106 158.978 3.920 7.872 803 1HB LYS 106 HB2 LYS 106 157.733 4.848 5.313 804 2HB LYS 106 HB1 LYS 106 157.292 5.637 6.822 805 1HG LYS 106 HG2 LYS 106 160.077 5.505 6.860 806 2HG LYS 106 HG1 LYS 106 159.653 5.951 5.207 807 1HD LYS 106 HD2 LYS 106 158.132 7.377 7.267 808 2HD LYS 106 HD1 LYS 106 159.868 7.693 7.299 809 1HE LYS 106 HE2 LYS 106 159.816 8.846 5.372 810 2HE LYS 106 HE1 LYS 106 158.685 7.722 4.618 811 1HZ LYS 106 HZ1 LYS 106 157.796 9.997 4.959 812 2HZ LYS 106 HZ2 LYS 106 157.895 9.756 6.630 813 3HZ LYS 106 HZ3 LYS 106 156.868 8.789 5.696 814 H LYS 107 HN LYS 107 157.098 4.606 9.141 815 HA LYS 107 HA LYS 107 154.778 2.827 8.788 816 1HB LYS 107 HB2 LYS 107 155.930 3.609 11.465 817 2HB LYS 107 HB1 LYS 107 154.674 2.421 11.144 818 1HG LYS 107 HG2 LYS 107 156.238 0.928 10.143 819 2HG LYS 107 HG1 LYS 107 157.508 2.153 10.172 820 1HD LYS 107 HD2 LYS 107 157.047 2.138 12.748 821 2HD LYS 107 HD1 LYS 107 156.363 0.546 12.414 822 1HE LYS 107 HE2 LYS 107 159.162 1.470 11.777 823 2HE LYS 107 HE1 LYS 107 158.695 0.343 13.049 824 1HZ LYS 107 HZ1 LYS 107 158.951 -0.092 10.188 825 2HZ LYS 107 HZ2 LYS 107 157.635 -0.853 10.930 826 3HZ LYS 107 HZ3 LYS 107 159.206 -1.161 11.475 Start of MODEL 15 1 H MET 1 HT1 MET 1 196.390 -15.790 9.241 2 HA MET 1 HA MET 1 195.485 -13.713 9.345 3 1HB MET 1 HB2 MET 1 198.461 -13.239 9.122 4 2HB MET 1 HB1 MET 1 197.318 -12.363 10.129 5 1HG MET 1 HG2 MET 1 197.765 -15.297 10.500 6 2HG MET 1 HG1 MET 1 198.848 -14.108 11.220 7 1HE MET 1 HE1 MET 1 195.201 -15.132 10.722 8 2HE MET 1 HE2 MET 1 194.503 -14.987 12.335 9 3HE MET 1 HE3 MET 1 195.714 -16.227 12.006 10 H THR 2 HN THR 2 197.061 -14.323 6.403 11 HA THR 2 HA THR 2 196.816 -11.588 5.437 12 HB THR 2 HB THR 2 198.660 -13.455 4.850 13 HG1 THR 2 HG1 THR 2 198.494 -11.240 4.079 14 1HG2 THR 2 HG21 THR 2 196.725 -14.824 3.733 15 2HG2 THR 2 HG22 THR 2 198.328 -14.737 3.001 16 3HG2 THR 2 HG23 THR 2 197.021 -13.725 2.386 17 H THR 3 HN THR 3 194.449 -13.190 6.256 18 HA THR 3 HA THR 3 193.058 -13.605 3.743 19 HB THR 3 HB THR 3 192.455 -14.238 6.617 20 HG1 THR 3 HG1 THR 3 192.679 -15.712 4.220 21 1HG2 THR 3 HG21 THR 3 190.341 -13.350 5.666 22 2HG2 THR 3 HG22 THR 3 190.271 -15.056 6.103 23 3HG2 THR 3 HG23 THR 3 190.433 -14.588 4.412 24 H GLU 4 HN GLU 4 191.279 -12.420 3.073 25 HA GLU 4 HA GLU 4 190.505 -10.099 4.685 26 1HB GLU 4 HB2 GLU 4 191.348 -9.988 1.784 27 2HB GLU 4 HB1 GLU 4 190.575 -8.666 2.647 28 1HG GLU 4 HG2 GLU 4 193.237 -9.896 3.326 29 2HG GLU 4 HG1 GLU 4 192.983 -8.358 2.501 30 H ILE 5 HN ILE 5 188.457 -9.171 4.085 31 HA ILE 5 HA ILE 5 186.642 -11.190 3.001 32 HB ILE 5 HB ILE 5 185.720 -8.581 4.155 33 1HG1 ILE 5 HG12 ILE 5 186.117 -10.963 5.939 34 2HG1 ILE 5 HG11 ILE 5 187.458 -9.856 5.661 35 1HG2 ILE 5 HG21 ILE 5 183.862 -9.661 3.444 36 2HG2 ILE 5 HG22 ILE 5 183.994 -10.411 5.035 37 3HG2 ILE 5 HG23 ILE 5 184.590 -11.258 3.608 38 1HD1 ILE 5 HD11 ILE 5 185.361 -8.182 6.262 39 2HD1 ILE 5 HD12 ILE 5 186.650 -8.685 7.356 40 3HD1 ILE 5 HD13 ILE 5 185.119 -9.561 7.335 41 H LYS 6 HN LYS 6 184.949 -10.581 1.507 42 HA LYS 6 HA LYS 6 185.949 -8.748 -0.527 43 1HB LYS 6 HB2 LYS 6 183.689 -10.754 -0.542 44 2HB LYS 6 HB1 LYS 6 184.088 -9.718 -1.905 45 1HG LYS 6 HG2 LYS 6 185.199 -11.627 -2.482 46 2HG LYS 6 HG1 LYS 6 186.470 -10.766 -1.610 47 1HD LYS 6 HD2 LYS 6 185.042 -12.200 0.333 48 2HD LYS 6 HD1 LYS 6 185.250 -13.307 -1.025 49 1HE LYS 6 HE2 LYS 6 187.579 -13.180 -0.925 50 2HE LYS 6 HE1 LYS 6 187.548 -11.692 0.021 51 1HZ LYS 6 HZ1 LYS 6 186.363 -14.103 1.189 52 2HZ LYS 6 HZ2 LYS 6 187.155 -12.816 1.948 53 3HZ LYS 6 HZ3 LYS 6 188.051 -13.994 1.130 54 H LYS 7 HN LYS 7 185.340 -6.713 -0.497 55 HA LYS 7 HA LYS 7 182.917 -5.915 0.884 56 1HB LYS 7 HB2 LYS 7 183.751 -3.617 0.482 57 2HB LYS 7 HB1 LYS 7 184.902 -4.637 1.336 58 1HG LYS 7 HG2 LYS 7 185.560 -5.001 -1.319 59 2HG LYS 7 HG1 LYS 7 185.148 -3.287 -1.213 60 1HD LYS 7 HD2 LYS 7 186.703 -3.882 1.059 61 2HD LYS 7 HD1 LYS 7 187.509 -4.642 -0.313 62 1HE LYS 7 HE2 LYS 7 187.747 -2.601 -1.445 63 2HE LYS 7 HE1 LYS 7 186.557 -1.798 -0.422 64 1HZ LYS 7 HZ1 LYS 7 189.152 -1.506 -0.080 65 2HZ LYS 7 HZ2 LYS 7 188.926 -2.867 0.898 66 3HZ LYS 7 HZ3 LYS 7 188.060 -1.449 1.211 67 H LEU 8 HN LEU 8 181.915 -3.828 -0.317 68 HA LEU 8 HA LEU 8 181.365 -4.579 -3.100 69 1HB LEU 8 HB2 LEU 8 179.136 -4.728 -2.805 70 2HB LEU 8 HB1 LEU 8 179.620 -5.164 -1.182 71 HG LEU 8 HG LEU 8 177.848 -3.681 -0.897 72 1HD1 LEU 8 HD11 LEU 8 180.439 -2.840 -0.128 73 2HD1 LEU 8 HD12 LEU 8 178.899 -2.544 0.673 74 3HD1 LEU 8 HD13 LEU 8 179.495 -1.411 -0.539 75 1HD2 LEU 8 HD21 LEU 8 177.225 -2.517 -2.684 76 2HD2 LEU 8 HD22 LEU 8 178.858 -2.521 -3.349 77 3HD2 LEU 8 HD23 LEU 8 178.389 -1.295 -2.169 78 H ASP 9 HN ASP 9 180.838 -2.887 -4.515 79 HA ASP 9 HA ASP 9 182.014 -0.365 -3.782 80 1HB ASP 9 HB2 ASP 9 181.003 -1.599 -6.302 81 2HB ASP 9 HB1 ASP 9 181.138 0.156 -6.233 82 HA PRO 10 HA PRO 10 178.426 1.768 -2.286 83 1HB PRO 10 HB2 PRO 10 179.065 4.205 -3.585 84 2HB PRO 10 HB1 PRO 10 179.444 3.751 -1.918 85 1HG PRO 10 HG2 PRO 10 181.151 3.646 -4.348 86 2HG PRO 10 HG1 PRO 10 181.609 3.928 -2.659 87 1HD PRO 10 HD2 PRO 10 182.112 1.593 -3.869 88 2HD PRO 10 HD1 PRO 10 181.631 1.659 -2.159 89 H ASP 11 HN ASP 11 179.381 2.275 -5.674 90 HA ASP 11 HA ASP 11 176.801 3.066 -6.552 91 1HB ASP 11 HB2 ASP 11 179.371 2.319 -7.844 92 2HB ASP 11 HB1 ASP 11 177.918 2.184 -8.830 93 H THR 12 HN THR 12 178.334 -0.005 -6.033 94 HA THR 12 HA THR 12 176.475 -1.528 -7.601 95 HB THR 12 HB THR 12 178.434 -2.407 -5.472 96 HG1 THR 12 HG1 THR 12 179.747 -2.908 -7.220 97 1HG2 THR 12 HG21 THR 12 176.559 -3.922 -7.156 98 2HG2 THR 12 HG22 THR 12 177.288 -4.333 -5.603 99 3HG2 THR 12 HG23 THR 12 178.213 -4.529 -7.092 100 H ALA 13 HN ALA 13 176.810 -0.635 -4.209 101 HA ALA 13 HA ALA 13 174.801 -2.346 -3.196 102 1HB ALA 13 HB1 ALA 13 176.341 -0.041 -2.203 103 2HB ALA 13 HB2 ALA 13 175.987 -1.588 -1.435 104 3HB ALA 13 HB3 ALA 13 174.778 -0.304 -1.430 105 H ILE 14 HN ILE 14 174.736 1.029 -4.289 106 HA ILE 14 HA ILE 14 172.016 1.502 -3.701 107 HB ILE 14 HB ILE 14 173.809 2.825 -5.743 108 1HG1 ILE 14 HG12 ILE 14 173.007 3.829 -3.011 109 2HG1 ILE 14 HG11 ILE 14 174.479 2.905 -3.293 110 1HG2 ILE 14 HG21 ILE 14 171.469 3.199 -6.278 111 2HG2 ILE 14 HG22 ILE 14 172.213 4.683 -5.680 112 3HG2 ILE 14 HG23 ILE 14 171.162 3.736 -4.627 113 1HD1 ILE 14 HD11 ILE 14 174.360 5.583 -3.324 114 2HD1 ILE 14 HD12 ILE 14 174.087 5.244 -5.033 115 3HD1 ILE 14 HD13 ILE 14 175.542 4.645 -4.237 116 H ASP 15 HN ASP 15 173.675 0.409 -6.625 117 HA ASP 15 HA ASP 15 171.492 0.423 -8.369 118 1HB ASP 15 HB2 ASP 15 174.138 -0.185 -8.609 119 2HB ASP 15 HB1 ASP 15 173.411 -1.783 -8.747 120 H ILE 16 HN ILE 16 172.827 -2.330 -6.520 121 HA ILE 16 HA ILE 16 170.763 -4.119 -7.228 122 HB ILE 16 HB ILE 16 171.533 -5.425 -5.196 123 1HG1 ILE 16 HG12 ILE 16 174.047 -4.234 -4.809 124 2HG1 ILE 16 HG11 ILE 16 172.885 -2.911 -4.704 125 1HG2 ILE 16 HG21 ILE 16 172.505 -5.303 -7.688 126 2HG2 ILE 16 HG22 ILE 16 173.142 -6.390 -6.454 127 3HG2 ILE 16 HG23 ILE 16 173.955 -4.861 -6.787 128 1HD1 ILE 16 HD11 ILE 16 172.008 -5.233 -3.222 129 2HD1 ILE 16 HD12 ILE 16 172.209 -3.561 -2.697 130 3HD1 ILE 16 HD13 ILE 16 173.588 -4.660 -2.690 131 H ALA 17 HN ALA 17 171.207 -1.985 -4.429 132 HA ALA 17 HA ALA 17 168.997 -2.852 -2.938 133 1HB ALA 17 HB1 ALA 17 169.115 -0.592 -1.877 134 2HB ALA 17 HB2 ALA 17 170.350 -0.160 -3.060 135 3HB ALA 17 HB3 ALA 17 170.650 -1.460 -1.907 136 H TYR 18 HN TYR 18 169.312 -0.476 -5.522 137 HA TYR 18 HA TYR 18 166.765 0.663 -5.404 138 1HB TYR 18 HB2 TYR 18 168.771 1.364 -6.838 139 2HB TYR 18 HB1 TYR 18 168.248 0.128 -7.976 140 HD1 TYR 18 HD1 TYR 18 167.596 3.441 -6.632 141 HD2 TYR 18 HD2 TYR 18 166.096 0.368 -9.163 142 HE1 TYR 18 HE1 TYR 18 166.033 5.047 -7.645 143 HE2 TYR 18 HE2 TYR 18 164.529 1.965 -10.183 144 HH TYR 18 HH TYR 18 164.772 5.320 -9.735 145 H ASP 19 HN ASP 19 167.937 -2.153 -7.224 146 HA ASP 19 HA ASP 19 165.576 -2.821 -8.532 147 1HB ASP 19 HB2 ASP 19 168.095 -4.157 -7.877 148 2HB ASP 19 HB1 ASP 19 166.729 -5.273 -7.968 149 H ILE 20 HN ILE 20 166.613 -3.469 -5.234 150 HA ILE 20 HA ILE 20 164.637 -5.362 -4.566 151 HB ILE 20 HB ILE 20 165.937 -3.362 -2.710 152 1HG1 ILE 20 HG12 ILE 20 166.815 -6.155 -3.483 153 2HG1 ILE 20 HG11 ILE 20 167.610 -4.654 -3.965 154 1HG2 ILE 20 HG21 ILE 20 165.439 -4.966 -0.960 155 2HG2 ILE 20 HG22 ILE 20 164.698 -6.051 -2.138 156 3HG2 ILE 20 HG23 ILE 20 163.957 -4.488 -1.789 157 1HD1 ILE 20 HD11 ILE 20 167.803 -4.256 -1.405 158 2HD1 ILE 20 HD12 ILE 20 168.918 -5.356 -2.215 159 3HD1 ILE 20 HD13 ILE 20 167.550 -5.998 -1.307 160 H PHE 21 HN PHE 21 164.709 -2.014 -3.329 161 HA PHE 21 HA PHE 21 162.148 -1.766 -2.487 162 1HB PHE 21 HB2 PHE 21 163.809 -0.004 -2.213 163 2HB PHE 21 HB1 PHE 21 163.772 0.332 -3.939 164 HD1 PHE 21 HD1 PHE 21 161.445 0.153 -1.028 165 HD2 PHE 21 HD2 PHE 21 162.499 2.095 -4.665 166 HE1 PHE 21 HE1 PHE 21 159.658 1.804 -0.660 167 HE2 PHE 21 HE2 PHE 21 160.714 3.751 -4.304 168 HZ PHE 21 HZ PHE 21 159.291 3.605 -2.299 169 H LEU 22 HN LEU 22 163.226 -1.815 -5.801 170 HA LEU 22 HA LEU 22 160.928 -0.744 -7.019 171 1HB LEU 22 HB2 LEU 22 163.404 -1.734 -7.844 172 2HB LEU 22 HB1 LEU 22 162.229 -2.792 -8.614 173 HG LEU 22 HG LEU 22 161.201 -0.940 -9.751 174 1HD1 LEU 22 HD11 LEU 22 162.248 0.586 -7.625 175 2HD1 LEU 22 HD12 LEU 22 161.228 1.130 -8.957 176 3HD1 LEU 22 HD13 LEU 22 162.983 1.201 -9.106 177 1HD2 LEU 22 HD21 LEU 22 162.804 -0.696 -11.322 178 2HD2 LEU 22 HD22 LEU 22 163.635 -1.902 -10.339 179 3HD2 LEU 22 HD23 LEU 22 164.027 -0.193 -10.155 180 H GLU 23 HN GLU 23 161.837 -4.109 -6.276 181 HA GLU 23 HA GLU 23 159.149 -4.953 -7.091 182 1HB GLU 23 HB2 GLU 23 160.027 -7.191 -7.228 183 2HB GLU 23 HB1 GLU 23 161.092 -6.100 -8.103 184 1HG GLU 23 HG2 GLU 23 162.823 -6.446 -6.710 185 2HG GLU 23 HG1 GLU 23 161.793 -6.585 -5.286 186 H MET 24 HN MET 24 161.244 -4.740 -4.310 187 HA MET 24 HA MET 24 159.742 -6.490 -2.639 188 1HB MET 24 HB2 MET 24 162.082 -4.777 -2.393 189 2HB MET 24 HB1 MET 24 161.075 -4.727 -0.953 190 1HG MET 24 HG2 MET 24 161.163 -7.395 -1.441 191 2HG MET 24 HG1 MET 24 162.753 -6.880 -2.014 192 1HE MET 24 HE1 MET 24 160.479 -7.392 1.252 193 2HE MET 24 HE2 MET 24 160.330 -5.714 0.732 194 3HE MET 24 HE3 MET 24 161.164 -6.099 2.237 195 H ALA 25 HN ALA 25 159.986 -2.937 -2.780 196 HA ALA 25 HA ALA 25 158.118 -2.326 -0.827 197 1HB ALA 25 HB1 ALA 25 159.700 -0.841 -2.359 198 2HB ALA 25 HB2 ALA 25 158.305 -0.169 -1.517 199 3HB ALA 25 HB3 ALA 25 158.186 -0.588 -3.226 200 H GLY 26 HN GLY 26 155.928 -2.163 -0.726 201 1HA GLY 26 HA2 GLY 26 154.082 -1.836 -2.700 202 2HA GLY 26 HA1 GLY 26 154.413 -3.560 -2.739 203 H GLU 27 HN GLU 27 153.899 -4.835 -0.893 204 HA GLU 27 HA GLU 27 151.616 -3.764 0.570 205 1HB GLU 27 HB2 GLU 27 151.130 -6.068 1.158 206 2HB GLU 27 HB1 GLU 27 151.402 -5.933 -0.574 207 1HG GLU 27 HG2 GLU 27 153.898 -6.529 0.310 208 2HG GLU 27 HG1 GLU 27 152.897 -7.409 1.465 209 H ASN 28 HN ASN 28 154.812 -3.705 1.119 210 HA ASN 28 HA ASN 28 154.723 -4.522 3.914 211 1HB ASN 28 HB2 ASN 28 157.186 -3.801 3.824 212 2HB ASN 28 HB1 ASN 28 156.718 -5.220 2.878 213 1HD2 ASN 28 HD21 ASN 28 157.344 -1.760 2.683 214 2HD2 ASN 28 HD22 ASN 28 157.839 -1.757 1.029 215 H LEU 29 HN LEU 29 155.226 -1.597 1.984 216 HA LEU 29 HA LEU 29 155.219 0.028 4.419 217 1HB LEU 29 HB2 LEU 29 156.842 0.261 2.368 218 2HB LEU 29 HB1 LEU 29 155.508 1.151 1.663 219 HG LEU 29 HG LEU 29 156.644 1.897 4.346 220 1HD1 LEU 29 HD11 LEU 29 157.703 3.732 2.671 221 2HD1 LEU 29 HD12 LEU 29 157.815 2.276 1.682 222 3HD1 LEU 29 HD13 LEU 29 158.569 2.320 3.276 223 1HD2 LEU 29 HD21 LEU 29 154.945 3.321 4.275 224 2HD2 LEU 29 HD22 LEU 29 154.572 2.902 2.604 225 3HD2 LEU 29 HD23 LEU 29 155.782 4.134 2.958 226 H ASP 30 HN ASP 30 153.812 1.860 4.612 227 HA ASP 30 HA ASP 30 151.138 1.369 4.204 228 1HB ASP 30 HB2 ASP 30 152.697 3.484 5.255 229 2HB ASP 30 HB1 ASP 30 151.566 4.210 4.118 230 HA PRO 31 HA PRO 31 150.108 1.977 -0.030 231 1HB PRO 31 HB2 PRO 31 147.856 3.605 0.283 232 2HB PRO 31 HB1 PRO 31 147.868 1.836 0.280 233 1HG PRO 31 HG2 PRO 31 147.828 3.734 2.578 234 2HG PRO 31 HG1 PRO 31 147.031 2.160 2.403 235 1HD PRO 31 HD2 PRO 31 149.234 2.454 3.896 236 2HD PRO 31 HD1 PRO 31 148.961 0.985 2.931 237 H ALA 32 HN ALA 32 150.401 4.753 2.083 238 HA ALA 32 HA ALA 32 150.213 6.848 0.301 239 1HB ALA 32 HB1 ALA 32 151.217 8.167 1.904 240 2HB ALA 32 HB2 ALA 32 152.326 6.892 2.410 241 3HB ALA 32 HB3 ALA 32 150.624 6.814 2.867 242 H ASP 33 HN ASP 33 153.271 5.287 1.297 243 HA ASP 33 HA ASP 33 154.897 6.591 -0.555 244 1HB ASP 33 HB2 ASP 33 155.749 5.332 1.387 245 2HB ASP 33 HB1 ASP 33 155.296 3.827 0.597 246 H ILE 34 HN ILE 34 152.815 3.817 -0.947 247 HA ILE 34 HA ILE 34 153.943 2.753 -3.292 248 HB ILE 34 HB ILE 34 151.073 2.734 -2.344 249 1HG1 ILE 34 HG12 ILE 34 153.142 0.530 -2.294 250 2HG1 ILE 34 HG11 ILE 34 152.832 1.607 -0.929 251 1HG2 ILE 34 HG21 ILE 34 151.101 2.392 -4.735 252 2HG2 ILE 34 HG22 ILE 34 150.746 0.868 -3.922 253 3HG2 ILE 34 HG23 ILE 34 152.357 1.164 -4.574 254 1HD1 ILE 34 HD11 ILE 34 151.340 0.107 -0.266 255 2HD1 ILE 34 HD12 ILE 34 151.390 -0.739 -1.813 256 3HD1 ILE 34 HD13 ILE 34 150.329 0.654 -1.604 257 H LEU 35 HN LEU 35 151.379 5.156 -2.815 258 HA LEU 35 HA LEU 35 150.973 5.660 -5.580 259 1HB LEU 35 HB2 LEU 35 149.230 6.193 -4.021 260 2HB LEU 35 HB1 LEU 35 150.294 7.242 -3.105 261 HG LEU 35 HG LEU 35 150.228 8.238 -5.762 262 1HD1 LEU 35 HD11 LEU 35 148.012 8.462 -6.342 263 2HD1 LEU 35 HD12 LEU 35 147.439 8.141 -4.705 264 3HD1 LEU 35 HD13 LEU 35 148.046 6.819 -5.702 265 1HD2 LEU 35 HD21 LEU 35 148.724 9.424 -3.461 266 2HD2 LEU 35 HD22 LEU 35 149.646 10.232 -4.728 267 3HD2 LEU 35 HD23 LEU 35 150.487 9.357 -3.448 268 H LEU 36 HN LEU 36 152.802 7.350 -3.042 269 HA LEU 36 HA LEU 36 153.746 9.464 -4.628 270 1HB LEU 36 HB2 LEU 36 154.729 8.150 -2.116 271 2HB LEU 36 HB1 LEU 36 155.691 9.392 -2.894 272 HG LEU 36 HG LEU 36 153.450 10.770 -2.763 273 1HD1 LEU 36 HD11 LEU 36 152.181 10.258 -0.740 274 2HD1 LEU 36 HD12 LEU 36 153.141 8.797 -0.507 275 3HD1 LEU 36 HD13 LEU 36 152.086 8.944 -1.913 276 1HD2 LEU 36 HD21 LEU 36 155.717 11.115 -1.616 277 2HD2 LEU 36 HD22 LEU 36 154.962 10.370 -0.207 278 3HD2 LEU 36 HD23 LEU 36 154.296 11.857 -0.881 279 H PHE 37 HN PHE 37 155.461 6.512 -3.620 280 HA PHE 37 HA PHE 37 157.785 6.693 -4.990 281 1HB PHE 37 HB2 PHE 37 157.476 4.811 -3.604 282 2HB PHE 37 HB1 PHE 37 156.014 4.321 -4.448 283 HD1 PHE 37 HD1 PHE 37 159.305 5.227 -5.901 284 HD2 PHE 37 HD2 PHE 37 156.483 2.147 -5.100 285 HE1 PHE 37 HE1 PHE 37 160.622 3.667 -7.277 286 HE2 PHE 37 HE2 PHE 37 157.794 0.581 -6.472 287 HZ PHE 37 HZ PHE 37 159.867 1.341 -7.561 288 H ASN 38 HN ASN 38 154.631 6.071 -6.363 289 HA ASN 38 HA ASN 38 155.615 5.272 -8.934 290 1HB ASN 38 HB2 ASN 38 152.886 6.031 -7.903 291 2HB ASN 38 HB1 ASN 38 153.177 5.662 -9.601 292 1HD2 ASN 38 HD21 ASN 38 151.423 4.090 -8.651 293 2HD2 ASN 38 HD22 ASN 38 152.043 2.531 -8.203 294 H LEU 39 HN LEU 39 154.052 8.229 -7.688 295 HA LEU 39 HA LEU 39 154.561 9.627 -10.164 296 1HB LEU 39 HB2 LEU 39 153.446 10.599 -7.534 297 2HB LEU 39 HB1 LEU 39 153.544 11.563 -8.994 298 HG LEU 39 HG LEU 39 151.341 10.880 -9.018 299 1HD1 LEU 39 HD11 LEU 39 152.775 8.695 -10.520 300 2HD1 LEU 39 HD12 LEU 39 152.375 10.297 -11.140 301 3HD1 LEU 39 HD13 LEU 39 151.088 9.161 -10.737 302 1HD2 LEU 39 HD21 LEU 39 150.472 8.875 -8.187 303 2HD2 LEU 39 HD22 LEU 39 151.762 9.298 -7.061 304 3HD2 LEU 39 HD23 LEU 39 152.031 8.056 -8.284 305 H GLN 40 HN GLN 40 155.434 10.354 -6.776 306 HA GLN 40 HA GLN 40 157.651 11.969 -7.725 307 1HB GLN 40 HB2 GLN 40 157.924 12.544 -5.303 308 2HB GLN 40 HB1 GLN 40 156.368 12.982 -5.993 309 1HG GLN 40 HG2 GLN 40 156.062 10.395 -4.950 310 2HG GLN 40 HG1 GLN 40 156.956 11.317 -3.744 311 1HE2 GLN 40 HE21 GLN 40 154.011 11.179 -5.632 312 2HE2 GLN 40 HE22 GLN 40 153.076 12.204 -4.602 313 H PHE 41 HN PHE 41 159.142 10.549 -8.468 314 HA PHE 41 HA PHE 41 160.892 9.403 -6.532 315 1HB PHE 41 HB2 PHE 41 159.031 7.640 -6.901 316 2HB PHE 41 HB1 PHE 41 159.793 7.387 -8.475 317 HD1 PHE 41 HD1 PHE 41 160.607 7.513 -4.843 318 HD2 PHE 41 HD2 PHE 41 161.539 5.884 -8.662 319 HE1 PHE 41 HE1 PHE 41 162.264 6.024 -3.798 320 HE2 PHE 41 HE2 PHE 41 163.196 4.389 -7.624 321 HZ PHE 41 HZ PHE 41 163.561 4.459 -5.189 322 H GLU 42 HN GLU 42 159.930 9.720 -9.894 323 HA GLU 42 HA GLU 42 162.217 8.987 -11.229 324 1HB GLU 42 HB2 GLU 42 160.171 9.711 -12.369 325 2HB GLU 42 HB1 GLU 42 160.444 11.363 -11.831 326 1HG GLU 42 HG2 GLU 42 162.290 11.639 -13.242 327 2HG GLU 42 HG1 GLU 42 162.447 9.905 -13.516 328 H GLU 43 HN GLU 43 161.487 12.343 -10.241 329 HA GLU 43 HA GLU 43 164.367 12.896 -10.250 330 1HB GLU 43 HB2 GLU 43 162.367 14.288 -11.420 331 2HB GLU 43 HB1 GLU 43 162.451 15.115 -9.871 332 1HG GLU 43 HG2 GLU 43 164.504 15.989 -10.286 333 2HG GLU 43 HG1 GLU 43 164.998 14.637 -11.304 334 H ARG 44 HN ARG 44 161.761 12.370 -8.106 335 HA ARG 44 HA ARG 44 163.122 13.788 -5.928 336 1HB ARG 44 HB2 ARG 44 160.364 12.551 -5.973 337 2HB ARG 44 HB1 ARG 44 161.047 13.515 -4.671 338 1HG ARG 44 HG2 ARG 44 160.584 14.537 -7.463 339 2HG ARG 44 HG1 ARG 44 159.452 14.742 -6.124 340 1HD ARG 44 HD2 ARG 44 160.860 16.185 -4.985 341 2HD ARG 44 HD1 ARG 44 162.299 15.601 -5.820 342 HE ARG 44 HE ARG 44 160.417 16.919 -7.546 343 1HH1 ARG 44 HH11 ARG 44 163.109 17.373 -5.373 344 2HH1 ARG 44 HH12 ARG 44 163.593 18.874 -6.087 345 1HH2 ARG 44 HH21 ARG 44 161.053 18.893 -8.488 346 2HH2 ARG 44 HH22 ARG 44 162.426 19.738 -7.855 347 H GLY 45 HN GLY 45 163.010 10.752 -7.272 348 1HA GLY 45 HA2 GLY 45 163.156 9.291 -4.751 349 2HA GLY 45 HA1 GLY 45 163.175 8.591 -6.365 350 H GLY 46 HN GLY 46 164.973 8.615 -3.792 351 1HA GLY 46 HA2 GLY 46 167.449 8.466 -5.325 352 2HA GLY 46 HA1 GLY 46 167.416 9.622 -4.002 353 H VAL 47 HN VAL 47 168.992 7.131 -4.454 354 HA VAL 47 HA VAL 47 168.341 5.851 -1.886 355 HB VAL 47 HB VAL 47 169.345 4.361 -4.313 356 1HG1 VAL 47 HG11 VAL 47 168.894 3.666 -1.480 357 2HG1 VAL 47 HG12 VAL 47 170.037 2.999 -2.646 358 3HG1 VAL 47 HG13 VAL 47 168.351 2.484 -2.671 359 1HG2 VAL 47 HG21 VAL 47 166.982 3.284 -4.037 360 2HG2 VAL 47 HG22 VAL 47 167.167 4.794 -4.928 361 3HG2 VAL 47 HG23 VAL 47 166.589 4.818 -3.261 362 H GLU 48 HN GLU 48 169.928 6.842 -0.721 363 HA GLU 48 HA GLU 48 172.642 6.968 -1.715 364 1HB GLU 48 HB2 GLU 48 173.137 8.092 0.414 365 2HB GLU 48 HB1 GLU 48 171.771 8.833 -0.409 366 1HG GLU 48 HG2 GLU 48 170.291 8.211 1.185 367 2HG GLU 48 HG1 GLU 48 171.156 6.722 1.565 368 H PHE 49 HN PHE 49 174.458 6.204 -0.316 369 HA PHE 49 HA PHE 49 173.802 3.571 0.832 370 1HB PHE 49 HB2 PHE 49 175.144 3.445 -1.227 371 2HB PHE 49 HB1 PHE 49 176.371 4.471 -0.490 372 HD1 PHE 49 HD1 PHE 49 174.474 1.439 0.588 373 HD2 PHE 49 HD2 PHE 49 178.260 3.309 0.061 374 HE1 PHE 49 HE1 PHE 49 175.582 -0.556 1.505 375 HE2 PHE 49 HE2 PHE 49 179.376 1.316 0.975 376 HZ PHE 49 HZ PHE 49 178.036 -0.619 1.699 377 H VAL 50 HN VAL 50 174.480 3.079 2.840 378 HA VAL 50 HA VAL 50 176.307 4.940 4.199 379 HB VAL 50 HB VAL 50 174.907 4.577 6.290 380 1HG1 VAL 50 HG11 VAL 50 174.868 6.718 5.295 381 2HG1 VAL 50 HG12 VAL 50 173.181 6.279 5.567 382 3HG1 VAL 50 HG13 VAL 50 173.875 6.158 3.950 383 1HG2 VAL 50 HG21 VAL 50 172.806 3.773 4.285 384 2HG2 VAL 50 HG22 VAL 50 172.600 3.945 6.028 385 3HG2 VAL 50 HG23 VAL 50 173.626 2.664 5.383 386 H GLU 51 HN GLU 51 176.601 3.797 6.606 387 HA GLU 51 HA GLU 51 177.425 1.033 6.006 388 1HB GLU 51 HB2 GLU 51 178.826 3.207 7.539 389 2HB GLU 51 HB1 GLU 51 179.197 1.513 7.828 390 1HG GLU 51 HG2 GLU 51 180.564 1.498 6.096 391 2HG GLU 51 HG1 GLU 51 179.242 1.961 5.026 392 H THR 52 HN THR 52 177.695 -0.319 8.008 393 HA THR 52 HA THR 52 175.299 -0.542 9.386 394 HB THR 52 HB THR 52 177.955 -1.498 10.447 395 HG1 THR 52 HG1 THR 52 177.581 -3.340 9.130 396 1HG2 THR 52 HG21 THR 52 176.084 -1.918 11.934 397 2HG2 THR 52 HG22 THR 52 176.684 -3.421 11.233 398 3HG2 THR 52 HG23 THR 52 175.199 -2.693 10.618 399 H ALA 53 HN ALA 53 174.797 -0.247 11.635 400 HA ALA 53 HA ALA 53 176.069 2.161 12.740 401 1HB ALA 53 HB1 ALA 53 174.001 2.915 13.011 402 2HB ALA 53 HB2 ALA 53 173.656 1.574 14.104 403 3HB ALA 53 HB3 ALA 53 173.351 1.404 12.375 404 H ASP 54 HN ASP 54 175.498 2.171 15.300 405 HA ASP 54 HA ASP 54 176.743 -0.283 16.347 406 1HB ASP 54 HB2 ASP 54 177.066 2.597 16.994 407 2HB ASP 54 HB1 ASP 54 177.144 1.469 18.344 408 H ASP 55 HN ASP 55 173.854 0.246 15.894 409 HA ASP 55 HA ASP 55 172.894 -0.810 18.363 410 1HB ASP 55 HB2 ASP 55 171.266 1.022 18.829 411 2HB ASP 55 HB1 ASP 55 172.942 1.503 19.073 412 H TRP 56 HN TRP 56 172.909 -1.672 15.702 413 HA TRP 56 HA TRP 56 170.499 -1.171 14.329 414 1HB TRP 56 HB2 TRP 56 172.801 -2.915 14.046 415 2HB TRP 56 HB1 TRP 56 171.305 -3.749 13.607 416 HD1 TRP 56 HD1 TRP 56 173.894 -2.034 11.915 417 HE1 TRP 56 HE1 TRP 56 173.085 -0.856 9.773 418 HE3 TRP 56 HE3 TRP 56 168.873 -2.052 12.834 419 HZ2 TRP 56 HZ2 TRP 56 170.632 -0.047 8.625 420 HZ3 TRP 56 HZ3 TRP 56 167.362 -1.059 11.170 421 HH2 TRP 56 HH2 TRP 56 168.224 -0.082 9.109 422 H GLU 57 HN GLU 57 171.332 -3.356 16.909 423 HA GLU 57 HA GLU 57 169.229 -5.185 16.697 424 1HB GLU 57 HB2 GLU 57 170.555 -4.185 19.224 425 2HB GLU 57 HB1 GLU 57 169.630 -5.671 19.061 426 1HG GLU 57 HG2 GLU 57 171.289 -6.741 17.894 427 2HG GLU 57 HG1 GLU 57 171.995 -5.236 17.306 428 H GLU 58 HN GLU 58 169.145 -1.867 17.518 429 HA GLU 58 HA GLU 58 166.636 -2.101 18.982 430 1HB GLU 58 HB2 GLU 58 168.451 -0.506 19.686 431 2HB GLU 58 HB1 GLU 58 168.127 0.413 18.223 432 1HG GLU 58 HG2 GLU 58 165.793 0.721 18.990 433 2HG GLU 58 HG1 GLU 58 166.222 -0.088 20.497 434 H GLU 59 HN GLU 59 167.865 -1.039 15.870 435 HA GLU 59 HA GLU 59 165.369 0.110 15.028 436 1HB GLU 59 HB2 GLU 59 167.979 -0.476 13.664 437 2HB GLU 59 HB1 GLU 59 166.576 0.050 12.744 438 1HG GLU 59 HG2 GLU 59 166.467 2.099 14.020 439 2HG GLU 59 HG1 GLU 59 167.805 1.563 15.036 440 H ILE 60 HN ILE 60 167.231 -2.738 13.924 441 HA ILE 60 HA ILE 60 164.805 -3.796 12.686 442 HB ILE 60 HB ILE 60 166.277 -5.542 11.744 443 1HG1 ILE 60 HG12 ILE 60 168.560 -3.955 12.934 444 2HG1 ILE 60 HG11 ILE 60 167.942 -5.453 13.635 445 1HG2 ILE 60 HG21 ILE 60 167.857 -3.473 10.717 446 2HG2 ILE 60 HG22 ILE 60 166.322 -2.729 11.165 447 3HG2 ILE 60 HG23 ILE 60 166.347 -4.102 10.059 448 1HD1 ILE 60 HD11 ILE 60 168.391 -6.390 11.235 449 2HD1 ILE 60 HD12 ILE 60 169.695 -6.236 12.411 450 3HD1 ILE 60 HD13 ILE 60 169.503 -5.023 11.144 451 H GLY 61 HN GLY 61 167.091 -4.539 15.267 452 1HA GLY 61 HA2 GLY 61 165.983 -5.640 17.225 453 2HA GLY 61 HA1 GLY 61 165.336 -6.782 16.060 454 H VAL 62 HN VAL 62 166.992 -7.988 14.771 455 HA VAL 62 HA VAL 62 168.650 -9.467 16.435 456 HB VAL 62 HB VAL 62 169.788 -10.171 14.232 457 1HG1 VAL 62 HG11 VAL 62 166.871 -10.542 14.838 458 2HG1 VAL 62 HG12 VAL 62 168.217 -11.624 15.196 459 3HG1 VAL 62 HG13 VAL 62 167.679 -11.407 13.530 460 1HG2 VAL 62 HG21 VAL 62 169.331 -9.050 12.372 461 2HG2 VAL 62 HG22 VAL 62 168.334 -7.932 13.302 462 3HG2 VAL 62 HG23 VAL 62 167.608 -9.367 12.578 463 H LEU 63 HN LEU 63 171.059 -9.828 15.878 464 HA LEU 63 HA LEU 63 172.407 -7.288 16.330 465 1HB LEU 63 HB2 LEU 63 173.451 -10.121 16.411 466 2HB LEU 63 HB1 LEU 63 174.372 -8.693 16.844 467 HG LEU 63 HG LEU 63 172.247 -8.407 18.497 468 1HD1 LEU 63 HD11 LEU 63 172.722 -11.300 18.843 469 2HD1 LEU 63 HD12 LEU 63 171.673 -10.828 17.506 470 3HD1 LEU 63 HD13 LEU 63 171.277 -10.338 19.154 471 1HD2 LEU 63 HD21 LEU 63 174.746 -8.426 18.952 472 2HD2 LEU 63 HD22 LEU 63 174.578 -10.161 19.216 473 3HD2 LEU 63 HD23 LEU 63 173.701 -9.025 20.241 474 H ILE 64 HN ILE 64 173.803 -6.338 14.944 475 HA ILE 64 HA ILE 64 174.337 -7.730 12.399 476 HB ILE 64 HB ILE 64 173.917 -4.757 12.653 477 1HG1 ILE 64 HG12 ILE 64 171.821 -5.850 13.198 478 2HG1 ILE 64 HG11 ILE 64 171.714 -5.168 11.578 479 1HG2 ILE 64 HG21 ILE 64 173.822 -6.474 10.189 480 2HG2 ILE 64 HG22 ILE 64 175.303 -5.710 10.767 481 3HG2 ILE 64 HG23 ILE 64 173.924 -4.716 10.295 482 1HD1 ILE 64 HD11 ILE 64 170.850 -7.182 11.095 483 2HD1 ILE 64 HD12 ILE 64 171.633 -7.967 12.465 484 3HD1 ILE 64 HD13 ILE 64 172.545 -7.656 10.988 485 H ASP 65 HN ASP 65 176.422 -8.116 12.160 486 HA ASP 65 HA ASP 65 178.451 -6.913 13.705 487 1HB ASP 65 HB2 ASP 65 178.248 -9.125 12.046 488 2HB ASP 65 HB1 ASP 65 179.386 -8.079 11.202 489 HA PRO 66 HA PRO 66 178.580 -3.101 11.300 490 1HB PRO 66 HB2 PRO 66 180.695 -2.026 12.700 491 2HB PRO 66 HB1 PRO 66 178.996 -1.893 13.181 492 1HG PRO 66 HG2 PRO 66 181.103 -3.773 14.155 493 2HG PRO 66 HG1 PRO 66 179.830 -2.940 15.065 494 1HD PRO 66 HD2 PRO 66 179.636 -5.538 14.392 495 2HD PRO 66 HD1 PRO 66 178.215 -4.476 14.456 496 H GLU 67 HN GLU 67 180.160 -1.974 10.001 497 HA GLU 67 HA GLU 67 181.630 -2.006 8.271 498 1HB GLU 67 HB2 GLU 67 183.925 -2.339 8.870 499 2HB GLU 67 HB1 GLU 67 183.107 -1.596 10.236 500 1HG GLU 67 HG2 GLU 67 183.134 -3.585 11.475 501 2HG GLU 67 HG1 GLU 67 183.524 -4.559 10.059 502 H GLU 68 HN GLU 68 179.992 -4.523 8.768 503 HA GLU 68 HA GLU 68 181.571 -6.259 7.006 504 1HB GLU 68 HB2 GLU 68 179.861 -7.066 9.357 505 2HB GLU 68 HB1 GLU 68 180.507 -8.205 8.173 506 1HG GLU 68 HG2 GLU 68 182.687 -7.894 8.869 507 2HG GLU 68 HG1 GLU 68 182.326 -6.324 9.599 508 H TYR 69 HN TYR 69 178.647 -4.619 7.570 509 HA TYR 69 HA TYR 69 177.384 -6.070 5.340 510 1HB TYR 69 HB2 TYR 69 176.146 -4.960 7.854 511 2HB TYR 69 HB1 TYR 69 175.185 -5.306 6.411 512 HD1 TYR 69 HD1 TYR 69 177.339 -6.829 9.007 513 HD2 TYR 69 HD2 TYR 69 174.547 -7.525 5.875 514 HE1 TYR 69 HE1 TYR 69 177.142 -9.175 9.713 515 HE2 TYR 69 HE2 TYR 69 174.342 -9.874 6.572 516 HH TYR 69 HH TYR 69 176.492 -11.367 8.663 517 H ALA 70 HN ALA 70 175.814 -4.747 4.109 518 HA ALA 70 HA ALA 70 176.758 -1.965 3.906 519 1HB ALA 70 HB1 ALA 70 176.760 -2.147 1.670 520 2HB ALA 70 HB2 ALA 70 175.232 -3.029 1.644 521 3HB ALA 70 HB3 ALA 70 176.740 -3.886 1.966 522 H GLU 71 HN GLU 71 175.380 -0.426 4.518 523 HA GLU 71 HA GLU 71 172.535 -1.132 4.691 524 1HB GLU 71 HB2 GLU 71 173.401 -0.501 6.836 525 2HB GLU 71 HB1 GLU 71 174.183 0.923 6.175 526 1HG GLU 71 HG2 GLU 71 171.802 1.737 5.630 527 2HG GLU 71 HG1 GLU 71 171.269 0.476 6.744 528 H VAL 72 HN VAL 72 171.154 -0.255 3.310 529 HA VAL 72 HA VAL 72 171.951 2.203 1.894 530 HB VAL 72 HB VAL 72 170.599 -0.276 0.919 531 1HG1 VAL 72 HG11 VAL 72 168.882 1.201 0.315 532 2HG1 VAL 72 HG12 VAL 72 169.891 1.094 -1.127 533 3HG1 VAL 72 HG13 VAL 72 170.012 2.500 -0.068 534 1HG2 VAL 72 HG21 VAL 72 172.008 0.230 -1.070 535 2HG2 VAL 72 HG22 VAL 72 172.923 0.002 0.421 536 3HG2 VAL 72 HG23 VAL 72 172.643 1.628 -0.201 537 H TRP 73 HN TRP 73 170.389 3.782 1.520 538 HA TRP 73 HA TRP 73 167.895 3.492 3.069 539 1HB TRP 73 HB2 TRP 73 169.946 5.650 3.077 540 2HB TRP 73 HB1 TRP 73 168.260 6.140 3.200 541 HD1 TRP 73 HD1 TRP 73 169.556 2.941 4.872 542 HE1 TRP 73 HE1 TRP 73 169.365 3.219 7.422 543 HE3 TRP 73 HE3 TRP 73 168.179 7.859 5.048 544 HZ2 TRP 73 HZ2 TRP 73 168.719 5.254 9.262 545 HZ3 TRP 73 HZ3 TRP 73 167.794 8.897 7.245 546 HH2 TRP 73 HH2 TRP 73 168.059 7.620 9.309 547 H VAL 74 HN VAL 74 166.040 4.116 2.074 548 HA VAL 74 HA VAL 74 166.279 5.517 -0.504 549 HB VAL 74 HB VAL 74 164.371 3.242 0.057 550 1HG1 VAL 74 HG11 VAL 74 164.686 3.921 -2.711 551 2HG1 VAL 74 HG12 VAL 74 164.224 5.356 -1.795 552 3HG1 VAL 74 HG13 VAL 74 163.222 3.905 -1.727 553 1HG2 VAL 74 HG21 VAL 74 165.827 1.802 -0.854 554 2HG2 VAL 74 HG22 VAL 74 167.044 3.030 -0.507 555 3HG2 VAL 74 HG23 VAL 74 166.311 2.942 -2.110 556 H GLY 75 HN GLY 75 165.396 7.424 -0.240 557 1HA GLY 75 HA2 GLY 75 162.826 7.600 1.214 558 2HA GLY 75 HA1 GLY 75 164.076 8.819 1.382 559 H LEU 76 HN LEU 76 163.454 10.614 0.436 560 HA LEU 76 HA LEU 76 162.640 10.562 -2.351 561 1HB LEU 76 HB2 LEU 76 160.669 10.636 -0.413 562 2HB LEU 76 HB1 LEU 76 160.906 12.332 -0.777 563 HG LEU 76 HG LEU 76 160.106 12.117 -2.944 564 1HD1 LEU 76 HD11 LEU 76 161.077 10.501 -4.158 565 2HD1 LEU 76 HD12 LEU 76 159.684 9.532 -3.674 566 3HD1 LEU 76 HD13 LEU 76 161.196 9.404 -2.781 567 1HD2 LEU 76 HD21 LEU 76 158.101 11.879 -1.990 568 2HD2 LEU 76 HD22 LEU 76 158.657 10.597 -0.913 569 3HD2 LEU 76 HD23 LEU 76 158.193 10.216 -2.572 570 H VAL 77 HN VAL 77 164.989 11.374 -1.754 571 HA VAL 77 HA VAL 77 165.358 13.994 -0.806 572 HB VAL 77 HB VAL 77 167.224 12.457 -0.921 573 1HG1 VAL 77 HG11 VAL 77 167.139 11.043 -2.665 574 2HG1 VAL 77 HG12 VAL 77 168.128 12.270 -3.458 575 3HG1 VAL 77 HG13 VAL 77 166.385 12.231 -3.729 576 1HG2 VAL 77 HG21 VAL 77 168.897 13.899 -1.785 577 2HG2 VAL 77 HG22 VAL 77 167.610 14.923 -1.151 578 3HG2 VAL 77 HG23 VAL 77 167.759 14.667 -2.891 579 H ASN 78 HN ASN 78 166.052 15.866 -2.006 580 HA ASN 78 HA ASN 78 164.496 16.229 -4.453 581 1HB ASN 78 HB2 ASN 78 165.944 18.358 -2.872 582 2HB ASN 78 HB1 ASN 78 164.642 18.578 -4.037 583 1HD2 ASN 78 HD21 ASN 78 165.449 17.383 -0.847 584 2HD2 ASN 78 HD22 ASN 78 163.852 17.486 -0.196 585 H GLU 79 HN GLU 79 166.323 18.594 -5.079 586 HA GLU 79 HA GLU 79 168.227 17.046 -6.654 587 1HB GLU 79 HB2 GLU 79 167.354 19.932 -6.771 588 2HB GLU 79 HB1 GLU 79 168.636 19.274 -7.777 589 1HG GLU 79 HG2 GLU 79 167.113 17.779 -8.855 590 2HG GLU 79 HG1 GLU 79 165.821 18.217 -7.738 591 H GLN 80 HN GLN 80 168.516 17.635 -3.701 592 HA GLN 80 HA GLN 80 171.102 19.035 -3.814 593 1HB GLN 80 HB2 GLN 80 170.762 19.513 -1.407 594 2HB GLN 80 HB1 GLN 80 169.518 20.221 -2.435 595 1HG GLN 80 HG2 GLN 80 168.024 18.347 -1.870 596 2HG GLN 80 HG1 GLN 80 169.261 17.724 -0.778 597 1HE2 GLN 80 HE21 GLN 80 170.151 19.730 0.617 598 2HE2 GLN 80 HE22 GLN 80 168.898 20.558 1.470 599 H ASP 81 HN ASP 81 169.645 16.023 -3.361 600 HA ASP 81 HA ASP 81 170.505 13.971 -2.890 601 1HB ASP 81 HB2 ASP 81 172.837 15.562 -3.450 602 2HB ASP 81 HB1 ASP 81 173.197 14.432 -2.149 603 H GLU 82 HN GLU 82 169.438 15.786 -0.858 604 HA GLU 82 HA GLU 82 170.756 14.662 1.527 605 1HB GLU 82 HB2 GLU 82 169.229 17.238 1.150 606 2HB GLU 82 HB1 GLU 82 169.570 16.567 2.739 607 1HG GLU 82 HG2 GLU 82 172.004 16.612 2.117 608 2HG GLU 82 HG1 GLU 82 171.539 17.536 0.689 609 H MET 83 HN MET 83 169.624 13.068 2.471 610 HA MET 83 HA MET 83 166.856 12.664 1.749 611 1HB MET 83 HB2 MET 83 168.831 10.918 2.169 612 2HB MET 83 HB1 MET 83 168.182 10.970 3.802 613 1HG MET 83 HG2 MET 83 167.081 9.190 2.784 614 2HG MET 83 HG1 MET 83 165.916 10.512 2.743 615 1HE MET 83 HE1 MET 83 168.932 9.221 0.125 616 2HE MET 83 HE2 MET 83 167.726 8.189 -0.644 617 3HE MET 83 HE3 MET 83 168.027 8.054 1.089 618 H ASP 84 HN ASP 84 165.561 14.124 2.738 619 HA ASP 84 HA ASP 84 165.853 14.683 5.571 620 1HB ASP 84 HB2 ASP 84 163.813 16.136 5.170 621 2HB ASP 84 HB1 ASP 84 165.252 16.575 4.255 622 H ASP 85 HN ASP 85 164.016 12.627 3.502 623 HA ASP 85 HA ASP 85 162.661 11.497 5.825 624 1HB ASP 85 HB2 ASP 85 161.352 12.838 3.538 625 2HB ASP 85 HB1 ASP 85 160.675 11.265 3.979 626 H VAL 86 HN VAL 86 162.893 9.369 5.851 627 HA VAL 86 HA VAL 86 163.665 8.018 3.355 628 HB VAL 86 HB VAL 86 165.426 7.487 4.701 629 1HG1 VAL 86 HG11 VAL 86 163.641 7.515 7.128 630 2HG1 VAL 86 HG12 VAL 86 164.650 8.854 6.577 631 3HG1 VAL 86 HG13 VAL 86 165.398 7.350 7.118 632 1HG2 VAL 86 HG21 VAL 86 163.694 5.419 5.986 633 2HG2 VAL 86 HG22 VAL 86 165.330 5.276 5.344 634 3HG2 VAL 86 HG23 VAL 86 163.959 5.390 4.242 635 H PHE 87 HN PHE 87 162.511 6.354 2.573 636 HA PHE 87 HA PHE 87 159.932 5.806 3.805 637 1HB PHE 87 HB2 PHE 87 161.138 5.387 1.104 638 2HB PHE 87 HB1 PHE 87 159.807 4.344 1.592 639 HD1 PHE 87 HD1 PHE 87 160.315 6.861 -0.460 640 HD2 PHE 87 HD2 PHE 87 158.068 6.111 3.075 641 HE1 PHE 87 HE1 PHE 87 158.713 8.611 -1.112 642 HE2 PHE 87 HE2 PHE 87 156.461 7.853 2.432 643 HZ PHE 87 HZ PHE 87 156.788 9.116 0.330 644 H ALA 88 HN ALA 88 162.912 4.181 2.917 645 HA ALA 88 HA ALA 88 162.358 2.072 4.823 646 1HB ALA 88 HB1 ALA 88 162.131 0.321 3.412 647 2HB ALA 88 HB2 ALA 88 163.199 1.021 2.196 648 3HB ALA 88 HB3 ALA 88 161.527 1.566 2.318 649 H LYS 89 HN LYS 89 164.298 0.436 4.713 650 HA LYS 89 HA LYS 89 166.808 1.654 3.932 651 1HB LYS 89 HB2 LYS 89 166.692 0.721 6.763 652 2HB LYS 89 HB1 LYS 89 167.703 1.961 6.035 653 1HG LYS 89 HG2 LYS 89 165.795 3.485 5.961 654 2HG LYS 89 HG1 LYS 89 164.770 2.242 6.676 655 1HD LYS 89 HD2 LYS 89 167.073 2.549 8.315 656 2HD LYS 89 HD1 LYS 89 166.417 4.151 7.974 657 1HE LYS 89 HE2 LYS 89 164.473 2.046 8.700 658 2HE LYS 89 HE1 LYS 89 165.545 2.607 9.982 659 1HZ LYS 89 HZ1 LYS 89 163.314 3.800 9.606 660 2HZ LYS 89 HZ2 LYS 89 164.095 4.549 8.306 661 3HZ LYS 89 HZ3 LYS 89 164.698 4.736 9.875 662 H PHE 90 HN PHE 90 168.369 0.059 3.529 663 HA PHE 90 HA PHE 90 167.471 -2.699 4.063 664 1HB PHE 90 HB2 PHE 90 169.016 -1.791 1.634 665 2HB PHE 90 HB1 PHE 90 168.328 -3.385 1.921 666 HD1 PHE 90 HD1 PHE 90 167.181 0.175 1.840 667 HD2 PHE 90 HD2 PHE 90 166.395 -3.878 0.803 668 HE1 PHE 90 HE1 PHE 90 165.109 0.870 0.716 669 HE2 PHE 90 HE2 PHE 90 164.322 -3.189 -0.329 670 HZ PHE 90 HZ PHE 90 163.675 -0.812 -0.371 671 H LEU 91 HN LEU 91 168.952 -4.268 4.486 672 HA LEU 91 HA LEU 91 171.752 -3.472 4.907 673 1HB LEU 91 HB2 LEU 91 170.041 -5.084 6.809 674 2HB LEU 91 HB1 LEU 91 171.774 -4.874 6.960 675 HG LEU 91 HG LEU 91 169.907 -2.518 6.963 676 1HD1 LEU 91 HD11 LEU 91 169.307 -2.818 9.097 677 2HD1 LEU 91 HD12 LEU 91 170.898 -3.422 9.561 678 3HD1 LEU 91 HD13 LEU 91 169.721 -4.509 8.823 679 1HD2 LEU 91 HD21 LEU 91 172.599 -2.627 6.775 680 2HD2 LEU 91 HD22 LEU 91 172.399 -2.575 8.527 681 3HD2 LEU 91 HD23 LEU 91 171.715 -1.297 7.523 682 H ILE 92 HN ILE 92 173.101 -4.846 3.863 683 HA ILE 92 HA ILE 92 172.209 -7.615 3.470 684 HB ILE 92 HB ILE 92 173.361 -7.311 1.089 685 1HG1 ILE 92 HG12 ILE 92 172.375 -4.549 1.827 686 2HG1 ILE 92 HG11 ILE 92 173.973 -5.006 1.248 687 1HG2 ILE 92 HG21 ILE 92 171.109 -6.965 0.154 688 2HG2 ILE 92 HG22 ILE 92 170.531 -6.502 1.755 689 3HG2 ILE 92 HG23 ILE 92 171.115 -8.141 1.468 690 1HD1 ILE 92 HD11 ILE 92 172.997 -5.571 -0.929 691 2HD1 ILE 92 HD12 ILE 92 172.723 -3.886 -0.486 692 3HD1 ILE 92 HD13 ILE 92 171.416 -5.061 -0.336 693 H SER 93 HN SER 93 173.782 -9.143 3.148 694 HA SER 93 HA SER 93 176.263 -8.686 4.465 695 1HB SER 93 HB2 SER 93 175.470 -11.073 2.780 696 2HB SER 93 HB1 SER 93 176.745 -11.019 3.997 697 HG SER 93 HG SER 93 174.043 -10.456 4.613 698 H HIS 94 HN HIS 94 178.095 -7.911 3.660 699 HA HIS 94 HA HIS 94 178.474 -6.945 1.117 700 1HB HIS 94 HB2 HIS 94 180.302 -7.695 3.338 701 2HB HIS 94 HB1 HIS 94 181.029 -7.433 1.753 702 HD1 HIS 94 HD1 HIS 94 181.189 -5.046 0.922 703 HD2 HIS 94 HD2 HIS 94 179.137 -5.387 4.508 704 HE1 HIS 94 HE1 HIS 94 180.945 -2.695 1.777 705 HE2 HIS 94 HE2 HIS 94 179.783 -2.936 4.000 706 H ARG 95 HN ARG 95 179.556 -10.098 2.362 707 HA ARG 95 HA ARG 95 180.967 -11.113 0.282 708 1HB ARG 95 HB2 ARG 95 178.923 -12.520 1.998 709 2HB ARG 95 HB1 ARG 95 180.018 -13.363 0.911 710 1HG ARG 95 HG2 ARG 95 181.688 -13.258 2.370 711 2HG ARG 95 HG1 ARG 95 181.440 -11.531 2.638 712 1HD ARG 95 HD2 ARG 95 179.486 -13.414 3.843 713 2HD ARG 95 HD1 ARG 95 181.094 -13.334 4.561 714 HE ARG 95 HE ARG 95 180.386 -10.737 4.386 715 1HH1 ARG 95 HH11 ARG 95 178.780 -13.544 5.700 716 2HH1 ARG 95 HH12 ARG 95 177.925 -12.645 6.907 717 1HH2 ARG 95 HH21 ARG 95 179.262 -9.553 5.975 718 2HH2 ARG 95 HH22 ARG 95 178.198 -10.379 7.063 719 H GLU 96 HN GLU 96 180.435 -12.641 -1.418 720 HA GLU 96 HA GLU 96 178.071 -11.738 -2.882 721 1HB GLU 96 HB2 GLU 96 179.180 -12.403 -4.874 722 2HB GLU 96 HB1 GLU 96 180.368 -11.566 -3.884 723 1HG GLU 96 HG2 GLU 96 181.723 -13.296 -4.048 724 2HG GLU 96 HG1 GLU 96 180.532 -14.314 -3.247 725 H GLU 97 HN GLU 97 179.595 -14.635 -1.608 726 HA GLU 97 HA GLU 97 177.477 -16.320 -2.699 727 1HB GLU 97 HB2 GLU 97 178.840 -18.116 -2.321 728 2HB GLU 97 HB1 GLU 97 180.074 -16.869 -2.410 729 1HG GLU 97 HG2 GLU 97 180.092 -16.725 0.036 730 2HG GLU 97 HG1 GLU 97 178.871 -17.995 0.109 731 H ASP 98 HN ASP 98 175.708 -16.857 -1.571 732 HA ASP 98 HA ASP 98 174.183 -16.946 0.124 733 1HB ASP 98 HB2 ASP 98 176.283 -18.424 0.957 734 2HB ASP 98 HB1 ASP 98 176.264 -17.204 2.226 735 H ARG 99 HN ARG 99 173.223 -15.009 0.441 736 HA ARG 99 HA ARG 99 174.521 -13.167 2.314 737 1HB ARG 99 HB2 ARG 99 173.720 -11.253 0.875 738 2HB ARG 99 HB1 ARG 99 175.064 -12.191 0.221 739 1HG ARG 99 HG2 ARG 99 173.899 -12.405 -1.650 740 2HG ARG 99 HG1 ARG 99 172.771 -13.433 -0.764 741 1HD ARG 99 HD2 ARG 99 171.539 -11.364 -0.093 742 2HD ARG 99 HD1 ARG 99 172.594 -10.451 -1.176 743 HE ARG 99 HE ARG 99 171.256 -12.659 -2.444 744 1HH1 ARG 99 HH11 ARG 99 171.007 -9.297 -1.543 745 2HH1 ARG 99 HH12 ARG 99 169.836 -8.927 -2.764 746 1HH2 ARG 99 HH21 ARG 99 169.716 -12.175 -4.050 747 2HH2 ARG 99 HH22 ARG 99 169.102 -10.561 -4.187 748 H GLU 100 HN GLU 100 173.155 -11.877 3.515 749 HA GLU 100 HA GLU 100 170.307 -12.630 3.418 750 1HB GLU 100 HB2 GLU 100 172.022 -11.920 5.804 751 2HB GLU 100 HB1 GLU 100 170.278 -12.135 5.870 752 1HG GLU 100 HG2 GLU 100 172.191 -14.267 4.957 753 2HG GLU 100 HG1 GLU 100 171.618 -14.101 6.616 754 H PHE 101 HN PHE 101 168.828 -11.034 3.274 755 HA PHE 101 HA PHE 101 169.795 -8.267 3.536 756 1HB PHE 101 HB2 PHE 101 168.359 -7.602 1.723 757 2HB PHE 101 HB1 PHE 101 169.332 -8.963 1.176 758 HD1 PHE 101 HD1 PHE 101 168.301 -11.206 0.963 759 HD2 PHE 101 HD2 PHE 101 166.000 -7.735 1.838 760 HE1 PHE 101 HE1 PHE 101 166.254 -12.401 0.303 761 HE2 PHE 101 HE2 PHE 101 163.949 -8.924 1.180 762 HZ PHE 101 HZ PHE 101 164.074 -11.260 0.412 763 H HIS 102 HN HIS 102 168.547 -6.842 4.670 764 HA HIS 102 HA HIS 102 165.893 -7.681 5.544 765 1HB HIS 102 HB2 HIS 102 166.692 -6.766 7.914 766 2HB HIS 102 HB1 HIS 102 166.854 -8.458 7.464 767 HD1 HIS 102 HD1 HIS 102 168.674 -6.279 9.302 768 HD2 HIS 102 HD2 HIS 102 169.672 -8.436 5.896 769 HE1 HIS 102 HE1 HIS 102 171.181 -6.457 9.330 770 HE2 HIS 102 HE2 HIS 102 171.755 -7.838 7.303 771 H VAL 103 HN VAL 103 164.782 -6.083 4.670 772 HA VAL 103 HA VAL 103 165.726 -3.328 4.964 773 HB VAL 103 HB VAL 103 165.041 -4.064 2.714 774 1HG1 VAL 103 HG11 VAL 103 163.271 -5.622 3.367 775 2HG1 VAL 103 HG12 VAL 103 162.679 -4.429 2.210 776 3HG1 VAL 103 HG13 VAL 103 162.283 -4.269 3.922 777 1HG2 VAL 103 HG21 VAL 103 163.256 -2.165 2.433 778 2HG2 VAL 103 HG22 VAL 103 164.918 -1.775 2.873 779 3HG2 VAL 103 HG23 VAL 103 163.666 -1.818 4.111 780 H ILE 104 HN ILE 104 164.608 -1.735 6.000 781 HA ILE 104 HA ILE 104 162.343 -2.632 7.654 782 HB ILE 104 HB ILE 104 162.942 -0.410 8.912 783 1HG1 ILE 104 HG12 ILE 104 165.479 -1.074 7.414 784 2HG1 ILE 104 HG11 ILE 104 164.646 0.472 7.502 785 1HG2 ILE 104 HG21 ILE 104 164.721 -2.814 9.236 786 2HG2 ILE 104 HG22 ILE 104 163.024 -2.778 9.720 787 3HG2 ILE 104 HG23 ILE 104 164.182 -1.685 10.481 788 1HD1 ILE 104 HD11 ILE 104 165.198 0.319 10.018 789 2HD1 ILE 104 HD12 ILE 104 166.449 0.780 8.864 790 3HD1 ILE 104 HD13 ILE 104 166.391 -0.866 9.491 791 H TRP 105 HN TRP 105 160.428 -1.629 7.554 792 HA TRP 105 HA TRP 105 160.196 0.665 5.714 793 1HB TRP 105 HB2 TRP 105 158.026 -1.338 6.348 794 2HB TRP 105 HB1 TRP 105 158.006 -0.102 5.091 795 HD1 TRP 105 HD1 TRP 105 159.033 -3.649 5.745 796 HE1 TRP 105 HE1 TRP 105 160.090 -4.659 3.629 797 HE3 TRP 105 HE3 TRP 105 159.561 0.623 2.971 798 HZ2 TRP 105 HZ2 TRP 105 161.023 -3.769 1.118 799 HZ3 TRP 105 HZ3 TRP 105 160.542 0.451 0.727 800 HH2 TRP 105 HH2 TRP 105 161.260 -1.699 -0.180 801 H LYS 106 HN LYS 106 159.030 2.436 6.336 802 HA LYS 106 HA LYS 106 158.702 2.865 9.132 803 1HB LYS 106 HB2 LYS 106 158.249 4.465 6.657 804 2HB LYS 106 HB1 LYS 106 157.478 5.002 8.143 805 1HG LYS 106 HG2 LYS 106 159.857 4.753 9.157 806 2HG LYS 106 HG1 LYS 106 160.379 4.830 7.473 807 1HD LYS 106 HD2 LYS 106 160.342 7.053 7.744 808 2HD LYS 106 HD1 LYS 106 158.587 6.901 7.636 809 1HE LYS 106 HE2 LYS 106 158.987 6.335 10.253 810 2HE LYS 106 HE1 LYS 106 160.304 7.470 9.958 811 1HZ LYS 106 HZ1 LYS 106 158.171 8.493 10.703 812 2HZ LYS 106 HZ2 LYS 106 157.483 8.026 9.230 813 3HZ LYS 106 HZ3 LYS 106 158.776 9.117 9.251 814 H LYS 107 HN LYS 107 156.709 3.569 10.172 815 HA LYS 107 HA LYS 107 154.384 2.089 9.137 816 1HB LYS 107 HB2 LYS 107 154.927 2.904 11.995 817 2HB LYS 107 HB1 LYS 107 153.634 1.859 11.424 818 1HG LYS 107 HG2 LYS 107 155.165 0.132 10.862 819 2HG LYS 107 HG1 LYS 107 156.550 1.195 11.119 820 1HD LYS 107 HD2 LYS 107 155.520 1.400 13.534 821 2HD LYS 107 HD1 LYS 107 154.782 -0.147 13.109 822 1HE LYS 107 HE2 LYS 107 157.727 0.507 13.095 823 2HE LYS 107 HE1 LYS 107 156.884 -0.507 14.265 824 1HZ LYS 107 HZ1 LYS 107 157.024 -2.248 12.915 825 2HZ LYS 107 HZ2 LYS 107 158.091 -1.349 11.960 826 3HZ LYS 107 HZ3 LYS 107 156.443 -1.381 11.583 Start of MODEL 16 1 H MET 1 HT1 MET 1 188.431 -22.071 5.872 2 HA MET 1 HA MET 1 188.303 -20.002 3.786 3 1HB MET 1 HB2 MET 1 186.150 -19.506 4.881 4 2HB MET 1 HB1 MET 1 186.203 -21.149 4.255 5 1HG MET 1 HG2 MET 1 187.112 -21.043 6.991 6 2HG MET 1 HG1 MET 1 185.503 -20.345 6.819 7 1HE MET 1 HE1 MET 1 183.542 -21.342 6.383 8 2HE MET 1 HE2 MET 1 183.169 -23.066 6.337 9 3HE MET 1 HE3 MET 1 183.674 -22.233 4.866 10 H THR 2 HN THR 2 190.352 -19.170 4.670 11 HA THR 2 HA THR 2 189.994 -17.823 7.262 12 HB THR 2 HB THR 2 192.341 -19.039 5.900 13 HG1 THR 2 HG1 THR 2 191.333 -19.932 7.763 14 1HG2 THR 2 HG21 THR 2 193.977 -17.767 7.134 15 2HG2 THR 2 HG22 THR 2 192.720 -16.710 7.774 16 3HG2 THR 2 HG23 THR 2 193.084 -16.704 6.048 17 H THR 3 HN THR 3 190.820 -17.395 3.886 18 HA THR 3 HA THR 3 190.572 -14.488 4.256 19 HB THR 3 HB THR 3 192.902 -14.797 3.946 20 HG1 THR 3 HG1 THR 3 192.833 -13.279 2.524 21 1HG2 THR 3 HG21 THR 3 192.105 -16.924 2.072 22 2HG2 THR 3 HG22 THR 3 193.479 -16.828 3.173 23 3HG2 THR 3 HG23 THR 3 193.524 -15.975 1.630 24 H GLU 4 HN GLU 4 188.731 -13.945 3.284 25 HA GLU 4 HA GLU 4 188.343 -14.115 0.529 26 1HB GLU 4 HB2 GLU 4 186.367 -15.716 0.544 27 2HB GLU 4 HB1 GLU 4 187.963 -16.443 0.675 28 1HG GLU 4 HG2 GLU 4 187.581 -16.421 3.194 29 2HG GLU 4 HG1 GLU 4 185.893 -16.087 2.812 30 H ILE 5 HN ILE 5 187.940 -11.914 1.300 31 HA ILE 5 HA ILE 5 185.119 -11.567 2.083 32 HB ILE 5 HB ILE 5 187.195 -9.557 2.893 33 1HG1 ILE 5 HG12 ILE 5 186.338 -11.439 4.999 34 2HG1 ILE 5 HG11 ILE 5 187.423 -12.131 3.797 35 1HG2 ILE 5 HG21 ILE 5 184.650 -9.205 2.920 36 2HG2 ILE 5 HG22 ILE 5 185.575 -8.752 4.352 37 3HG2 ILE 5 HG23 ILE 5 184.666 -10.263 4.331 38 1HD1 ILE 5 HD11 ILE 5 188.760 -11.333 5.566 39 2HD1 ILE 5 HD12 ILE 5 187.922 -9.781 5.593 40 3HD1 ILE 5 HD13 ILE 5 188.961 -10.200 4.230 41 H LYS 6 HN LYS 6 183.973 -10.350 0.730 42 HA LYS 6 HA LYS 6 185.426 -8.777 -1.286 43 1HB LYS 6 HB2 LYS 6 182.913 -10.357 -1.331 44 2HB LYS 6 HB1 LYS 6 182.943 -8.891 -2.302 45 1HG LYS 6 HG2 LYS 6 185.126 -9.791 -3.275 46 2HG LYS 6 HG1 LYS 6 184.668 -11.330 -2.543 47 1HD LYS 6 HD2 LYS 6 182.534 -11.248 -3.783 48 2HD LYS 6 HD1 LYS 6 183.064 -9.754 -4.557 49 1HE LYS 6 HE2 LYS 6 185.091 -11.767 -4.829 50 2HE LYS 6 HE1 LYS 6 183.543 -12.398 -5.390 51 1HZ LYS 6 HZ1 LYS 6 184.209 -9.715 -6.277 52 2HZ LYS 6 HZ2 LYS 6 183.502 -10.994 -7.129 53 3HZ LYS 6 HZ3 LYS 6 185.178 -10.952 -6.905 54 H LYS 7 HN LYS 7 185.339 -6.638 -1.172 55 HA LYS 7 HA LYS 7 183.496 -5.377 0.694 56 1HB LYS 7 HB2 LYS 7 185.904 -4.416 -0.837 57 2HB LYS 7 HB1 LYS 7 184.851 -3.297 0.015 58 1HG LYS 7 HG2 LYS 7 185.690 -5.554 1.664 59 2HG LYS 7 HG1 LYS 7 187.039 -4.591 1.054 60 1HD LYS 7 HD2 LYS 7 185.848 -3.982 3.327 61 2HD LYS 7 HD1 LYS 7 186.445 -2.731 2.242 62 1HE LYS 7 HE2 LYS 7 183.662 -3.601 1.766 63 2HE LYS 7 HE1 LYS 7 183.953 -2.778 3.297 64 1HZ LYS 7 HZ1 LYS 7 185.122 -1.553 0.933 65 2HZ LYS 7 HZ2 LYS 7 184.382 -0.834 2.273 66 3HZ LYS 7 HZ3 LYS 7 183.434 -1.498 1.041 67 H LEU 8 HN LEU 8 182.776 -3.061 -0.146 68 HA LEU 8 HA LEU 8 181.788 -3.249 -2.893 69 1HB LEU 8 HB2 LEU 8 180.190 -3.427 -0.461 70 2HB LEU 8 HB1 LEU 8 179.649 -2.145 -1.529 71 HG LEU 8 HG LEU 8 180.050 -4.986 -2.444 72 1HD1 LEU 8 HD11 LEU 8 177.459 -3.669 -1.649 73 2HD1 LEU 8 HD12 LEU 8 178.340 -4.823 -0.648 74 3HD1 LEU 8 HD13 LEU 8 177.688 -5.326 -2.208 75 1HD2 LEU 8 HD21 LEU 8 180.101 -3.447 -4.261 76 2HD2 LEU 8 HD22 LEU 8 178.705 -2.567 -3.636 77 3HD2 LEU 8 HD23 LEU 8 178.509 -4.206 -4.261 78 H ASP 9 HN ASP 9 181.758 -1.360 -3.963 79 HA ASP 9 HA ASP 9 182.941 0.939 -2.703 80 1HB ASP 9 HB2 ASP 9 182.240 0.117 -5.460 81 2HB ASP 9 HB1 ASP 9 182.217 1.850 -5.148 82 HA PRO 10 HA PRO 10 179.467 3.418 -1.649 83 1HB PRO 10 HB2 PRO 10 179.860 5.739 -3.121 84 2HB PRO 10 HB1 PRO 10 180.625 5.377 -1.565 85 1HG PRO 10 HG2 PRO 10 181.712 5.078 -4.333 86 2HG PRO 10 HG1 PRO 10 182.528 5.632 -2.859 87 1HD PRO 10 HD2 PRO 10 182.904 3.158 -3.816 88 2HD PRO 10 HD1 PRO 10 182.837 3.472 -2.069 89 H ASP 11 HN ASP 11 180.096 4.141 -5.090 90 HA ASP 11 HA ASP 11 177.380 4.447 -5.768 91 1HB ASP 11 HB2 ASP 11 179.378 5.305 -7.065 92 2HB ASP 11 HB1 ASP 11 179.594 3.665 -7.667 93 H THR 12 HN THR 12 179.467 1.655 -5.617 94 HA THR 12 HA THR 12 177.777 -0.074 -7.137 95 HB THR 12 HB THR 12 179.849 -0.881 -5.094 96 HG1 THR 12 HG1 THR 12 181.280 -0.877 -6.899 97 1HG2 THR 12 HG21 THR 12 180.046 -2.904 -6.210 98 2HG2 THR 12 HG22 THR 12 179.206 -2.307 -7.641 99 3HG2 THR 12 HG23 THR 12 178.306 -2.624 -6.158 100 H ALA 13 HN ALA 13 178.241 0.530 -3.676 101 HA ALA 13 HA ALA 13 176.542 -1.480 -2.709 102 1HB ALA 13 HB1 ALA 13 178.203 0.169 -1.497 103 2HB ALA 13 HB2 ALA 13 176.831 -0.538 -0.644 104 3HB ALA 13 HB3 ALA 13 176.732 1.111 -1.260 105 H ILE 14 HN ILE 14 175.910 1.769 -3.868 106 HA ILE 14 HA ILE 14 173.191 1.875 -3.011 107 HB ILE 14 HB ILE 14 174.497 3.447 -5.236 108 1HG1 ILE 14 HG12 ILE 14 174.085 4.443 -2.432 109 2HG1 ILE 14 HG11 ILE 14 175.521 3.509 -2.841 110 1HG2 ILE 14 HG21 ILE 14 171.998 3.926 -3.621 111 2HG2 ILE 14 HG22 ILE 14 172.101 3.585 -5.348 112 3HG2 ILE 14 HG23 ILE 14 172.726 5.106 -4.711 113 1HD1 ILE 14 HD11 ILE 14 176.452 5.202 -3.984 114 2HD1 ILE 14 HD12 ILE 14 175.375 6.183 -2.989 115 3HD1 ILE 14 HD13 ILE 14 174.910 5.755 -4.636 116 H ASP 15 HN ASP 15 174.649 1.475 -6.240 117 HA ASP 15 HA ASP 15 172.465 1.031 -7.783 118 1HB ASP 15 HB2 ASP 15 175.260 0.362 -7.934 119 2HB ASP 15 HB1 ASP 15 174.300 -0.948 -8.614 120 H ILE 16 HN ILE 16 173.973 -1.318 -5.610 121 HA ILE 16 HA ILE 16 172.390 -3.533 -6.381 122 HB ILE 16 HB ILE 16 173.648 -3.067 -3.674 123 1HG1 ILE 16 HG12 ILE 16 174.982 -4.751 -5.722 124 2HG1 ILE 16 HG11 ILE 16 175.040 -3.006 -5.974 125 1HG2 ILE 16 HG21 ILE 16 171.929 -5.022 -4.364 126 2HG2 ILE 16 HG22 ILE 16 173.219 -5.222 -3.178 127 3HG2 ILE 16 HG23 ILE 16 173.457 -5.761 -4.841 128 1HD1 ILE 16 HD11 ILE 16 175.745 -3.164 -3.371 129 2HD1 ILE 16 HD12 ILE 16 176.886 -3.145 -4.715 130 3HD1 ILE 16 HD13 ILE 16 176.403 -4.678 -3.991 131 H ALA 17 HN ALA 17 172.159 -1.428 -3.503 132 HA ALA 17 HA ALA 17 169.757 -2.436 -2.520 133 1HB ALA 17 HB1 ALA 17 169.551 -0.256 -1.344 134 2HB ALA 17 HB2 ALA 17 170.916 0.338 -2.289 135 3HB ALA 17 HB3 ALA 17 171.137 -1.006 -1.168 136 H TYR 18 HN TYR 18 170.391 -0.207 -5.119 137 HA TYR 18 HA TYR 18 167.840 0.960 -5.341 138 1HB TYR 18 HB2 TYR 18 170.045 1.629 -6.499 139 2HB TYR 18 HB1 TYR 18 169.630 0.409 -7.699 140 HD1 TYR 18 HD1 TYR 18 167.385 0.642 -8.900 141 HD2 TYR 18 HD2 TYR 18 169.139 3.784 -6.629 142 HE1 TYR 18 HE1 TYR 18 165.967 2.273 -10.072 143 HE2 TYR 18 HE2 TYR 18 167.725 5.424 -7.794 144 HH TYR 18 HH TYR 18 166.502 5.365 -10.278 145 H ASP 19 HN ASP 19 169.272 -1.754 -7.172 146 HA ASP 19 HA ASP 19 167.005 -2.434 -8.631 147 1HB ASP 19 HB2 ASP 19 168.043 -4.596 -8.999 148 2HB ASP 19 HB1 ASP 19 169.282 -3.338 -9.050 149 H ILE 20 HN ILE 20 167.857 -3.152 -5.318 150 HA ILE 20 HA ILE 20 165.986 -5.220 -4.866 151 HB ILE 20 HB ILE 20 167.097 -3.225 -2.882 152 1HG1 ILE 20 HG12 ILE 20 168.029 -6.033 -3.515 153 2HG1 ILE 20 HG11 ILE 20 168.801 -4.568 -4.126 154 1HG2 ILE 20 HG21 ILE 20 165.079 -4.361 -2.078 155 2HG2 ILE 20 HG22 ILE 20 166.511 -4.862 -1.181 156 3HG2 ILE 20 HG23 ILE 20 165.829 -5.921 -2.415 157 1HD1 ILE 20 HD11 ILE 20 169.312 -5.920 -1.725 158 2HD1 ILE 20 HD12 ILE 20 168.540 -4.396 -1.286 159 3HD1 ILE 20 HD13 ILE 20 169.998 -4.393 -2.279 160 H PHE 21 HN PHE 21 165.749 -1.948 -3.464 161 HA PHE 21 HA PHE 21 163.146 -1.851 -2.790 162 1HB PHE 21 HB2 PHE 21 164.648 0.011 -2.401 163 2HB PHE 21 HB1 PHE 21 164.755 0.334 -4.125 164 HD1 PHE 21 HD1 PHE 21 162.030 -0.092 -1.607 165 HD2 PHE 21 HD2 PHE 21 163.628 2.195 -4.818 166 HE1 PHE 21 HE1 PHE 21 160.148 1.483 -1.416 167 HE2 PHE 21 HE2 PHE 21 161.752 3.777 -4.632 168 HZ PHE 21 HZ PHE 21 160.008 3.420 -2.929 169 H LEU 22 HN LEU 22 164.410 -1.668 -6.046 170 HA LEU 22 HA LEU 22 162.098 -0.769 -7.359 171 1HB LEU 22 HB2 LEU 22 164.696 -1.488 -8.062 172 2HB LEU 22 HB1 LEU 22 163.679 -2.620 -8.942 173 HG LEU 22 HG LEU 22 162.539 -0.825 -10.067 174 1HD1 LEU 22 HD11 LEU 22 163.760 1.530 -9.532 175 2HD1 LEU 22 HD12 LEU 22 163.748 0.791 -7.931 176 3HD1 LEU 22 HD13 LEU 22 162.236 1.015 -8.810 177 1HD2 LEU 22 HD21 LEU 22 165.278 0.216 -10.310 178 2HD2 LEU 22 HD22 LEU 22 164.191 -0.429 -11.540 179 3HD2 LEU 22 HD23 LEU 22 165.109 -1.528 -10.509 180 H GLU 23 HN GLU 23 163.235 -4.065 -6.634 181 HA GLU 23 HA GLU 23 160.700 -5.103 -7.691 182 1HB GLU 23 HB2 GLU 23 161.774 -7.233 -7.893 183 2HB GLU 23 HB1 GLU 23 162.836 -6.018 -8.589 184 1HG GLU 23 HG2 GLU 23 164.473 -6.754 -7.306 185 2HG GLU 23 HG1 GLU 23 163.562 -6.243 -5.886 186 H MET 24 HN MET 24 162.605 -4.851 -4.778 187 HA MET 24 HA MET 24 161.176 -6.787 -3.266 188 1HB MET 24 HB2 MET 24 163.351 -4.933 -2.843 189 2HB MET 24 HB1 MET 24 162.248 -4.913 -1.474 190 1HG MET 24 HG2 MET 24 162.505 -7.578 -1.894 191 2HG MET 24 HG1 MET 24 164.100 -6.995 -2.384 192 1HE MET 24 HE1 MET 24 161.747 -7.834 0.590 193 2HE MET 24 HE2 MET 24 161.420 -6.119 0.338 194 3HE MET 24 HE3 MET 24 162.233 -6.655 1.809 195 H ALA 25 HN ALA 25 161.130 -3.215 -3.115 196 HA ALA 25 HA ALA 25 159.087 -2.885 -1.303 197 1HB ALA 25 HB1 ALA 25 160.589 -1.206 -2.796 198 2HB ALA 25 HB2 ALA 25 159.206 -0.702 -1.826 199 3HB ALA 25 HB3 ALA 25 159.010 -0.997 -3.554 200 H GLY 26 HN GLY 26 157.068 -3.652 -1.284 201 1HA GLY 26 HA2 GLY 26 155.207 -3.149 -3.332 202 2HA GLY 26 HA1 GLY 26 155.784 -4.798 -3.501 203 H GLU 27 HN GLU 27 155.275 -6.332 -1.909 204 HA GLU 27 HA GLU 27 152.791 -5.785 -0.545 205 1HB GLU 27 HB2 GLU 27 154.349 -8.178 -1.286 206 2HB GLU 27 HB1 GLU 27 153.408 -8.319 0.192 207 1HG GLU 27 HG2 GLU 27 151.446 -7.445 -1.191 208 2HG GLU 27 HG1 GLU 27 152.448 -7.805 -2.596 209 H ASN 28 HN ASN 28 155.852 -5.111 0.329 210 HA ASN 28 HA ASN 28 155.502 -5.925 3.127 211 1HB ASN 28 HB2 ASN 28 157.921 -5.014 1.565 212 2HB ASN 28 HB1 ASN 28 157.925 -5.167 3.328 213 1HD2 ASN 28 HD21 ASN 28 157.006 -7.031 0.448 214 2HD2 ASN 28 HD22 ASN 28 157.616 -8.541 1.023 215 H LEU 29 HN LEU 29 156.688 -3.090 1.321 216 HA LEU 29 HA LEU 29 156.440 -1.289 3.471 217 1HB LEU 29 HB2 LEU 29 157.887 -0.809 1.631 218 2HB LEU 29 HB1 LEU 29 156.562 -0.872 0.494 219 HG LEU 29 HG LEU 29 156.295 1.163 2.618 220 1HD1 LEU 29 HD11 LEU 29 158.455 1.804 2.397 221 2HD1 LEU 29 HD12 LEU 29 157.811 2.612 0.969 222 3HD1 LEU 29 HD13 LEU 29 158.633 1.063 0.806 223 1HD2 LEU 29 HD21 LEU 29 155.986 2.356 0.177 224 2HD2 LEU 29 HD22 LEU 29 154.698 1.586 1.096 225 3HD2 LEU 29 HD23 LEU 29 155.525 0.692 -0.172 226 H ASP 30 HN ASP 30 154.815 -0.051 4.182 227 HA ASP 30 HA ASP 30 152.196 -0.702 3.968 228 1HB ASP 30 HB2 ASP 30 153.664 1.663 4.863 229 2HB ASP 30 HB1 ASP 30 152.019 2.024 4.349 230 HA PRO 31 HA PRO 31 150.650 0.162 -0.083 231 1HB PRO 31 HB2 PRO 31 148.162 1.170 0.796 232 2HB PRO 31 HB1 PRO 31 148.528 -0.497 0.332 233 1HG PRO 31 HG2 PRO 31 148.389 0.735 3.035 234 2HG PRO 31 HG1 PRO 31 147.984 -0.913 2.524 235 1HD PRO 31 HD2 PRO 31 150.230 -0.385 3.880 236 2HD PRO 31 HD1 PRO 31 150.201 -1.609 2.588 237 H ALA 32 HN ALA 32 150.014 2.609 2.432 238 HA ALA 32 HA ALA 32 149.479 4.784 0.815 239 1HB ALA 32 HB1 ALA 32 151.032 4.886 3.395 240 2HB ALA 32 HB2 ALA 32 149.279 4.726 3.289 241 3HB ALA 32 HB3 ALA 32 150.071 6.177 2.676 242 H ASP 33 HN ASP 33 152.669 3.986 2.217 243 HA ASP 33 HA ASP 33 154.107 5.936 0.839 244 1HB ASP 33 HB2 ASP 33 154.880 3.337 2.122 245 2HB ASP 33 HB1 ASP 33 156.076 4.277 1.234 246 H ILE 34 HN ILE 34 152.877 2.885 -0.259 247 HA ILE 34 HA ILE 34 154.629 2.532 -2.473 248 HB ILE 34 HB ILE 34 151.796 1.539 -2.095 249 1HG1 ILE 34 HG12 ILE 34 154.418 0.077 -1.724 250 2HG1 ILE 34 HG11 ILE 34 153.467 0.764 -0.404 251 1HG2 ILE 34 HG21 ILE 34 153.893 0.766 -4.113 252 2HG2 ILE 34 HG22 ILE 34 152.331 1.520 -4.431 253 3HG2 ILE 34 HG23 ILE 34 152.404 -0.134 -3.823 254 1HD1 ILE 34 HD11 ILE 34 153.056 -1.689 -1.955 255 2HD1 ILE 34 HD12 ILE 34 151.600 -0.750 -1.630 256 3HD1 ILE 34 HD13 ILE 34 152.610 -1.300 -0.294 257 H LEU 35 HN LEU 35 151.353 3.872 -2.174 258 HA LEU 35 HA LEU 35 150.931 4.609 -4.809 259 1HB LEU 35 HB2 LEU 35 149.177 4.698 -3.140 260 2HB LEU 35 HB1 LEU 35 150.020 5.967 -2.273 261 HG LEU 35 HG LEU 35 149.642 6.916 -4.908 262 1HD1 LEU 35 HD11 LEU 35 147.928 5.178 -5.166 263 2HD1 LEU 35 HD12 LEU 35 147.236 6.800 -5.180 264 3HD1 LEU 35 HD13 LEU 35 147.101 5.796 -3.737 265 1HD2 LEU 35 HD21 LEU 35 147.905 7.720 -2.616 266 2HD2 LEU 35 HD22 LEU 35 148.675 8.720 -3.848 267 3HD2 LEU 35 HD23 LEU 35 149.641 8.022 -2.549 268 H LEU 36 HN LEU 36 152.342 6.572 -2.187 269 HA LEU 36 HA LEU 36 152.873 8.854 -3.730 270 1HB LEU 36 HB2 LEU 36 153.437 7.918 -1.088 271 2HB LEU 36 HB1 LEU 36 154.916 8.565 -1.770 272 HG LEU 36 HG LEU 36 152.857 10.423 -2.352 273 1HD1 LEU 36 HD11 LEU 36 152.145 11.013 -0.061 274 2HD1 LEU 36 HD12 LEU 36 152.867 9.512 0.519 275 3HD1 LEU 36 HD13 LEU 36 151.509 9.461 -0.606 276 1HD2 LEU 36 HD21 LEU 36 154.942 10.682 -0.206 277 2HD2 LEU 36 HD22 LEU 36 154.259 11.942 -1.232 278 3HD2 LEU 36 HD23 LEU 36 155.343 10.734 -1.922 279 H PHE 37 HN PHE 37 155.052 6.223 -2.779 280 HA PHE 37 HA PHE 37 157.350 6.922 -4.083 281 1HB PHE 37 HB2 PHE 37 157.512 5.007 -2.765 282 2HB PHE 37 HB1 PHE 37 156.088 4.268 -3.483 283 HD1 PHE 37 HD1 PHE 37 156.768 2.220 -4.289 284 HD2 PHE 37 HD2 PHE 37 159.150 5.653 -5.091 285 HE1 PHE 37 HE1 PHE 37 158.209 0.871 -5.757 286 HE2 PHE 37 HE2 PHE 37 160.594 4.309 -6.562 287 HZ PHE 37 HZ PHE 37 160.126 1.916 -6.896 288 H ASN 38 HN ASN 38 154.393 5.711 -5.484 289 HA ASN 38 HA ASN 38 155.548 5.189 -8.068 290 1HB ASN 38 HB2 ASN 38 152.971 4.796 -6.764 291 2HB ASN 38 HB1 ASN 38 152.801 5.352 -8.426 292 1HD2 ASN 38 HD21 ASN 38 155.167 3.240 -6.845 293 2HD2 ASN 38 HD22 ASN 38 154.906 1.880 -7.893 294 H LEU 39 HN LEU 39 153.095 7.531 -6.934 295 HA LEU 39 HA LEU 39 153.104 9.051 -9.302 296 1HB LEU 39 HB2 LEU 39 152.253 9.739 -6.496 297 2HB LEU 39 HB1 LEU 39 152.038 10.828 -7.850 298 HG LEU 39 HG LEU 39 149.960 9.834 -7.683 299 1HD1 LEU 39 HD11 LEU 39 150.829 9.609 -9.967 300 2HD1 LEU 39 HD12 LEU 39 149.692 8.324 -9.558 301 3HD1 LEU 39 HD13 LEU 39 151.425 7.997 -9.571 302 1HD2 LEU 39 HD21 LEU 39 149.504 7.602 -7.056 303 2HD2 LEU 39 HD22 LEU 39 150.770 8.177 -5.969 304 3HD2 LEU 39 HD23 LEU 39 151.179 7.112 -7.315 305 H GLN 40 HN GLN 40 155.304 9.016 -6.639 306 HA GLN 40 HA GLN 40 156.836 11.120 -7.927 307 1HB GLN 40 HB2 GLN 40 157.219 12.157 -5.586 308 2HB GLN 40 HB1 GLN 40 155.753 12.560 -6.467 309 1HG GLN 40 HG2 GLN 40 154.761 10.549 -5.120 310 2HG GLN 40 HG1 GLN 40 156.109 10.881 -4.037 311 1HE2 GLN 40 HE21 GLN 40 153.003 11.344 -4.088 312 2HE2 GLN 40 HE22 GLN 40 152.867 12.947 -3.463 313 H PHE 41 HN PHE 41 158.797 10.400 -8.148 314 HA PHE 41 HA PHE 41 160.481 9.573 -6.097 315 1HB PHE 41 HB2 PHE 41 159.050 7.531 -6.095 316 2HB PHE 41 HB1 PHE 41 159.540 7.232 -7.767 317 HD1 PHE 41 HD1 PHE 41 161.664 6.307 -8.282 318 HD2 PHE 41 HD2 PHE 41 160.719 7.409 -4.281 319 HE1 PHE 41 HE1 PHE 41 163.673 5.129 -7.487 320 HE2 PHE 41 HE2 PHE 41 162.726 6.232 -3.479 321 HZ PHE 41 HZ PHE 41 164.208 5.092 -5.082 322 H GLU 42 HN GLU 42 159.677 9.513 -9.498 323 HA GLU 42 HA GLU 42 162.044 8.814 -10.690 324 1HB GLU 42 HB2 GLU 42 159.899 9.442 -11.842 325 2HB GLU 42 HB1 GLU 42 160.325 11.129 -11.588 326 1HG GLU 42 HG2 GLU 42 162.156 11.004 -13.041 327 2HG GLU 42 HG1 GLU 42 162.153 9.241 -13.028 328 H GLU 43 HN GLU 43 161.133 12.201 -10.008 329 HA GLU 43 HA GLU 43 163.865 13.064 -10.288 330 1HB GLU 43 HB2 GLU 43 161.652 14.343 -10.852 331 2HB GLU 43 HB1 GLU 43 161.694 14.788 -9.152 332 1HG GLU 43 HG2 GLU 43 163.370 16.240 -9.441 333 2HG GLU 43 HG1 GLU 43 164.221 15.191 -10.574 334 H ARG 44 HN ARG 44 161.647 12.388 -7.657 335 HA ARG 44 HA ARG 44 163.601 13.332 -5.694 336 1HB ARG 44 HB2 ARG 44 160.747 12.389 -5.382 337 2HB ARG 44 HB1 ARG 44 161.777 12.886 -4.046 338 1HG ARG 44 HG2 ARG 44 160.653 14.826 -4.412 339 2HG ARG 44 HG1 ARG 44 162.023 15.071 -5.498 340 1HD ARG 44 HD2 ARG 44 160.732 14.425 -7.394 341 2HD ARG 44 HD1 ARG 44 159.405 13.869 -6.375 342 HE ARG 44 HE ARG 44 159.682 16.515 -5.760 343 1HH1 ARG 44 HH11 ARG 44 159.149 14.718 -8.703 344 2HH1 ARG 44 HH12 ARG 44 158.258 15.991 -9.467 345 1HH2 ARG 44 HH21 ARG 44 158.510 18.191 -6.763 346 2HH2 ARG 44 HH22 ARG 44 157.895 17.962 -8.366 347 H GLY 45 HN GLY 45 164.159 10.979 -7.263 348 1HA GLY 45 HA2 GLY 45 163.912 8.832 -5.263 349 2HA GLY 45 HA1 GLY 45 164.254 8.594 -6.973 350 H GLY 46 HN GLY 46 165.668 10.331 -4.192 351 1HA GLY 46 HA2 GLY 46 168.332 9.699 -5.236 352 2HA GLY 46 HA1 GLY 46 167.967 10.874 -3.981 353 H VAL 47 HN VAL 47 169.306 7.922 -4.557 354 HA VAL 47 HA VAL 47 168.632 6.851 -1.908 355 HB VAL 47 HB VAL 47 170.132 5.482 -4.145 356 1HG1 VAL 47 HG11 VAL 47 170.704 4.419 -2.134 357 2HG1 VAL 47 HG12 VAL 47 169.404 3.435 -2.807 358 3HG1 VAL 47 HG13 VAL 47 169.068 4.561 -1.492 359 1HG2 VAL 47 HG21 VAL 47 168.046 5.657 -5.084 360 2HG2 VAL 47 HG22 VAL 47 167.224 5.682 -3.524 361 3HG2 VAL 47 HG23 VAL 47 167.856 4.165 -4.164 362 H GLU 48 HN GLU 48 169.939 7.651 -0.383 363 HA GLU 48 HA GLU 48 172.709 8.285 -0.973 364 1HB GLU 48 HB2 GLU 48 172.781 9.178 1.299 365 2HB GLU 48 HB1 GLU 48 171.387 9.804 0.430 366 1HG GLU 48 HG2 GLU 48 169.888 8.513 1.656 367 2HG GLU 48 HG1 GLU 48 171.149 7.415 2.216 368 H PHE 49 HN PHE 49 174.510 7.378 0.117 369 HA PHE 49 HA PHE 49 174.031 4.626 1.011 370 1HB PHE 49 HB2 PHE 49 175.523 4.893 -0.923 371 2HB PHE 49 HB1 PHE 49 176.582 5.924 0.034 372 HD1 PHE 49 HD1 PHE 49 174.928 2.624 0.600 373 HD2 PHE 49 HD2 PHE 49 178.540 4.872 0.571 374 HE1 PHE 49 HE1 PHE 49 176.163 0.639 1.364 375 HE2 PHE 49 HE2 PHE 49 179.784 2.891 1.334 376 HZ PHE 49 HZ PHE 49 178.594 0.771 1.731 377 H VAL 50 HN VAL 50 174.791 3.858 2.915 378 HA VAL 50 HA VAL 50 176.406 5.523 4.669 379 HB VAL 50 HB VAL 50 174.524 4.729 6.482 380 1HG1 VAL 50 HG11 VAL 50 175.561 6.910 6.419 381 2HG1 VAL 50 HG12 VAL 50 173.808 7.078 6.534 382 3HG1 VAL 50 HG13 VAL 50 174.621 7.345 4.991 383 1HG2 VAL 50 HG21 VAL 50 172.369 4.868 5.726 384 2HG2 VAL 50 HG22 VAL 50 173.143 4.159 4.310 385 3HG2 VAL 50 HG23 VAL 50 172.798 5.888 4.353 386 H GLU 51 HN GLU 51 177.355 4.285 6.438 387 HA GLU 51 HA GLU 51 177.445 1.445 5.810 388 1HB GLU 51 HB2 GLU 51 179.148 3.272 7.491 389 2HB GLU 51 HB1 GLU 51 179.309 1.523 7.583 390 1HG GLU 51 HG2 GLU 51 179.511 1.756 4.964 391 2HG GLU 51 HG1 GLU 51 180.031 3.386 5.391 392 H THR 52 HN THR 52 177.374 -0.144 7.546 393 HA THR 52 HA THR 52 175.066 -0.153 9.008 394 HB THR 52 HB THR 52 177.672 -1.536 9.661 395 HG1 THR 52 HG1 THR 52 175.414 -2.333 8.152 396 1HG2 THR 52 HG21 THR 52 176.366 -1.796 11.605 397 2HG2 THR 52 HG22 THR 52 176.177 -3.284 10.675 398 3HG2 THR 52 HG23 THR 52 174.895 -2.071 10.667 399 H ALA 53 HN ALA 53 174.863 -0.261 11.451 400 HA ALA 53 HA ALA 53 176.158 2.110 12.597 401 1HB ALA 53 HB1 ALA 53 173.838 0.838 13.940 402 2HB ALA 53 HB2 ALA 53 173.548 1.670 12.412 403 3HB ALA 53 HB3 ALA 53 174.256 2.543 13.771 404 H ASP 54 HN ASP 54 175.770 1.704 15.267 405 HA ASP 54 HA ASP 54 177.562 -0.566 15.804 406 1HB ASP 54 HB2 ASP 54 177.530 2.192 16.695 407 2HB ASP 54 HB1 ASP 54 177.542 1.085 18.064 408 H ASP 55 HN ASP 55 174.690 -0.832 15.572 409 HA ASP 55 HA ASP 55 174.181 -2.440 17.813 410 1HB ASP 55 HB2 ASP 55 172.108 -0.910 18.515 411 2HB ASP 55 HB1 ASP 55 173.689 -0.746 19.271 412 H TRP 56 HN TRP 56 172.003 -0.247 16.045 413 HA TRP 56 HA TRP 56 170.364 -0.616 14.524 414 1HB TRP 56 HB2 TRP 56 172.291 -2.739 14.014 415 2HB TRP 56 HB1 TRP 56 170.644 -3.210 13.596 416 HD1 TRP 56 HD1 TRP 56 173.508 -1.069 12.436 417 HE1 TRP 56 HE1 TRP 56 172.888 0.068 10.209 418 HE3 TRP 56 HE3 TRP 56 168.535 -2.209 12.308 419 HZ2 TRP 56 HZ2 TRP 56 170.583 0.429 8.611 420 HZ3 TRP 56 HZ3 TRP 56 167.193 -1.435 10.402 421 HH2 TRP 56 HH2 TRP 56 168.193 -0.146 8.597 422 H GLU 57 HN GLU 57 170.501 -2.008 17.411 423 HA GLU 57 HA GLU 57 168.501 -4.035 17.226 424 1HB GLU 57 HB2 GLU 57 169.644 -2.513 19.567 425 2HB GLU 57 HB1 GLU 57 168.435 -3.777 19.744 426 1HG GLU 57 HG2 GLU 57 170.064 -5.276 18.484 427 2HG GLU 57 HG1 GLU 57 171.262 -4.019 18.782 428 H GLU 58 HN GLU 58 168.210 -0.774 16.805 429 HA GLU 58 HA GLU 58 165.586 -0.612 18.096 430 1HB GLU 58 HB2 GLU 58 165.739 1.771 17.833 431 2HB GLU 58 HB1 GLU 58 167.252 1.192 18.515 432 1HG GLU 58 HG2 GLU 58 168.283 1.301 16.293 433 2HG GLU 58 HG1 GLU 58 166.771 1.925 15.636 434 H GLU 59 HN GLU 59 167.172 -0.143 14.957 435 HA GLU 59 HA GLU 59 164.745 0.423 13.569 436 1HB GLU 59 HB2 GLU 59 167.560 -0.174 12.740 437 2HB GLU 59 HB1 GLU 59 166.279 -0.124 11.537 438 1HG GLU 59 HG2 GLU 59 167.087 2.104 13.389 439 2HG GLU 59 HG1 GLU 59 167.410 2.004 11.658 440 H ILE 60 HN ILE 60 166.905 -2.439 13.503 441 HA ILE 60 HA ILE 60 164.640 -3.982 12.441 442 HB ILE 60 HB ILE 60 166.206 -5.672 11.726 443 1HG1 ILE 60 HG12 ILE 60 168.329 -3.937 13.011 444 2HG1 ILE 60 HG11 ILE 60 167.846 -5.559 13.513 445 1HG2 ILE 60 HG21 ILE 60 167.788 -3.619 10.567 446 2HG2 ILE 60 HG22 ILE 60 166.141 -3.015 10.753 447 3HG2 ILE 60 HG23 ILE 60 166.438 -4.507 9.861 448 1HD1 ILE 60 HD11 ILE 60 169.357 -4.739 11.052 449 2HD1 ILE 60 HD12 ILE 60 168.590 -6.320 11.208 450 3HD1 ILE 60 HD13 ILE 60 169.851 -5.840 12.340 451 H GLY 61 HN GLY 61 166.982 -3.865 15.068 452 1HA GLY 61 HA2 GLY 61 166.207 -4.575 17.261 453 2HA GLY 61 HA1 GLY 61 165.340 -5.879 16.469 454 H VAL 62 HN VAL 62 167.135 -7.085 14.911 455 HA VAL 62 HA VAL 62 168.753 -8.469 16.805 456 HB VAL 62 HB VAL 62 169.709 -9.514 14.571 457 1HG1 VAL 62 HG11 VAL 62 168.384 -10.659 16.276 458 2HG1 VAL 62 HG12 VAL 62 167.919 -11.149 14.646 459 3HG1 VAL 62 HG13 VAL 62 166.906 -10.024 15.551 460 1HG2 VAL 62 HG21 VAL 62 168.434 -9.301 12.665 461 2HG2 VAL 62 HG22 VAL 62 168.383 -7.657 13.302 462 3HG2 VAL 62 HG23 VAL 62 167.013 -8.740 13.548 463 H LEU 63 HN LEU 63 170.991 -8.761 16.797 464 HA LEU 63 HA LEU 63 172.497 -6.391 16.593 465 1HB LEU 63 HB2 LEU 63 172.943 -9.143 17.406 466 2HB LEU 63 HB1 LEU 63 174.340 -8.480 16.580 467 HG LEU 63 HG LEU 63 173.096 -6.858 18.748 468 1HD1 LEU 63 HD11 LEU 63 174.629 -9.402 19.133 469 2HD1 LEU 63 HD12 LEU 63 173.167 -8.847 19.949 470 3HD1 LEU 63 HD13 LEU 63 174.720 -8.093 20.313 471 1HD2 LEU 63 HD21 LEU 63 175.981 -7.354 18.044 472 2HD2 LEU 63 HD22 LEU 63 175.316 -6.060 19.042 473 3HD2 LEU 63 HD23 LEU 63 175.000 -6.086 17.307 474 H ILE 64 HN ILE 64 174.357 -5.965 15.243 475 HA ILE 64 HA ILE 64 174.569 -7.434 12.745 476 HB ILE 64 HB ILE 64 173.898 -4.486 12.751 477 1HG1 ILE 64 HG12 ILE 64 171.952 -5.978 13.190 478 2HG1 ILE 64 HG11 ILE 64 171.822 -5.101 11.671 479 1HG2 ILE 64 HG21 ILE 64 174.379 -6.354 10.434 480 2HG2 ILE 64 HG22 ILE 64 175.506 -5.126 11.011 481 3HG2 ILE 64 HG23 ILE 64 173.951 -4.646 10.330 482 1HD1 ILE 64 HD11 ILE 64 172.243 -7.013 10.400 483 2HD1 ILE 64 HD12 ILE 64 171.155 -7.552 11.679 484 3HD1 ILE 64 HD13 ILE 64 172.881 -7.900 11.784 485 H ASP 65 HN ASP 65 176.638 -7.548 12.132 486 HA ASP 65 HA ASP 65 178.668 -6.215 13.628 487 1HB ASP 65 HB2 ASP 65 178.577 -8.211 11.433 488 2HB ASP 65 HB1 ASP 65 180.057 -7.269 11.585 489 HA PRO 66 HA PRO 66 178.336 -2.450 11.133 490 1HB PRO 66 HB2 PRO 66 180.630 -1.355 12.299 491 2HB PRO 66 HB1 PRO 66 178.964 -1.093 12.828 492 1HG PRO 66 HG2 PRO 66 181.022 -2.960 13.896 493 2HG PRO 66 HG1 PRO 66 179.754 -2.067 14.755 494 1HD PRO 66 HD2 PRO 66 179.545 -4.697 14.270 495 2HD PRO 66 HD1 PRO 66 178.126 -3.629 14.232 496 H GLU 67 HN GLU 67 179.612 -1.448 9.504 497 HA GLU 67 HA GLU 67 181.108 -1.349 7.797 498 1HB GLU 67 HB2 GLU 67 182.786 -3.167 9.535 499 2HB GLU 67 HB1 GLU 67 183.340 -2.377 8.067 500 1HG GLU 67 HG2 GLU 67 183.365 -0.287 9.037 501 2HG GLU 67 HG1 GLU 67 182.222 -0.745 10.298 502 H GLU 68 HN GLU 68 181.215 -4.689 9.056 503 HA GLU 68 HA GLU 68 181.615 -6.075 6.748 504 1HB GLU 68 HB2 GLU 68 180.195 -6.664 9.287 505 2HB GLU 68 HB1 GLU 68 179.911 -7.769 7.943 506 1HG GLU 68 HG2 GLU 68 181.898 -8.727 8.187 507 2HG GLU 68 HG1 GLU 68 182.724 -7.167 8.276 508 H TYR 69 HN TYR 69 178.674 -4.463 7.727 509 HA TYR 69 HA TYR 69 177.361 -5.470 5.286 510 1HB TYR 69 HB2 TYR 69 176.125 -4.558 7.891 511 2HB TYR 69 HB1 TYR 69 175.205 -4.957 6.436 512 HD1 TYR 69 HD1 TYR 69 177.026 -6.270 9.294 513 HD2 TYR 69 HD2 TYR 69 175.131 -7.293 5.627 514 HE1 TYR 69 HE1 TYR 69 176.984 -8.629 9.983 515 HE2 TYR 69 HE2 TYR 69 175.082 -9.655 6.307 516 HH TYR 69 HH TYR 69 175.095 -10.913 8.602 517 H ALA 70 HN ALA 70 176.088 -4.020 4.066 518 HA ALA 70 HA ALA 70 176.831 -1.192 4.439 519 1HB ALA 70 HB1 ALA 70 177.071 -0.929 2.187 520 2HB ALA 70 HB2 ALA 70 175.877 -2.169 1.802 521 3HB ALA 70 HB3 ALA 70 177.498 -2.635 2.318 522 H GLU 71 HN GLU 71 175.267 0.291 4.641 523 HA GLU 71 HA GLU 71 172.490 -0.642 4.349 524 1HB GLU 71 HB2 GLU 71 171.833 0.883 6.085 525 2HB GLU 71 HB1 GLU 71 173.180 -0.084 6.666 526 1HG GLU 71 HG2 GLU 71 174.685 1.713 6.469 527 2HG GLU 71 HG1 GLU 71 173.546 2.662 5.518 528 H VAL 72 HN VAL 72 171.110 0.404 3.069 529 HA VAL 72 HA VAL 72 171.992 2.946 1.867 530 HB VAL 72 HB VAL 72 170.878 0.495 0.582 531 1HG1 VAL 72 HG11 VAL 72 169.115 1.869 -0.081 532 2HG1 VAL 72 HG12 VAL 72 170.265 2.010 -1.411 533 3HG1 VAL 72 HG13 VAL 72 170.147 3.294 -0.207 534 1HG2 VAL 72 HG21 VAL 72 172.869 2.613 -0.200 535 2HG2 VAL 72 HG22 VAL 72 172.400 1.266 -1.239 536 3HG2 VAL 72 HG23 VAL 72 173.205 0.955 0.300 537 H TRP 73 HN TRP 73 170.378 4.518 1.485 538 HA TRP 73 HA TRP 73 167.819 3.974 2.841 539 1HB TRP 73 HB2 TRP 73 169.673 6.314 2.989 540 2HB TRP 73 HB1 TRP 73 167.943 6.598 3.151 541 HD1 TRP 73 HD1 TRP 73 169.293 3.373 4.605 542 HE1 TRP 73 HE1 TRP 73 169.226 3.507 7.169 543 HE3 TRP 73 HE3 TRP 73 168.143 8.326 5.126 544 HZ2 TRP 73 HZ2 TRP 73 168.751 5.447 9.147 545 HZ3 TRP 73 HZ3 TRP 73 167.900 9.244 7.397 546 HH2 TRP 73 HH2 TRP 73 168.199 7.832 9.367 547 H VAL 74 HN VAL 74 165.993 4.434 1.768 548 HA VAL 74 HA VAL 74 166.203 5.986 -0.724 549 HB VAL 74 HB VAL 74 164.460 3.550 -0.341 550 1HG1 VAL 74 HG11 VAL 74 164.880 4.361 -3.061 551 2HG1 VAL 74 HG12 VAL 74 164.257 5.717 -2.118 552 3HG1 VAL 74 HG13 VAL 74 163.369 4.192 -2.167 553 1HG2 VAL 74 HG21 VAL 74 167.222 3.856 -1.243 554 2HG2 VAL 74 HG22 VAL 74 166.196 2.995 -2.390 555 3HG2 VAL 74 HG23 VAL 74 166.349 2.411 -0.733 556 H GLY 75 HN GLY 75 165.158 7.797 -0.393 557 1HA GLY 75 HA2 GLY 75 162.532 7.682 0.966 558 2HA GLY 75 HA1 GLY 75 163.667 8.991 1.241 559 H LEU 76 HN LEU 76 162.769 10.748 0.437 560 HA LEU 76 HA LEU 76 162.077 10.765 -2.402 561 1HB LEU 76 HB2 LEU 76 160.074 10.683 -0.463 562 2HB LEU 76 HB1 LEU 76 160.191 12.384 -0.870 563 HG LEU 76 HG LEU 76 159.613 11.985 -3.133 564 1HD1 LEU 76 HD11 LEU 76 159.099 9.411 -3.652 565 2HD1 LEU 76 HD12 LEU 76 160.441 9.215 -2.526 566 3HD1 LEU 76 HD13 LEU 76 160.654 10.170 -3.994 567 1HD2 LEU 76 HD21 LEU 76 157.550 11.966 -2.260 568 2HD2 LEU 76 HD22 LEU 76 157.982 10.798 -1.012 569 3HD2 LEU 76 HD23 LEU 76 157.579 10.243 -2.637 570 H VAL 77 HN VAL 77 164.302 11.733 -2.006 571 HA VAL 77 HA VAL 77 164.835 14.127 -0.785 572 HB VAL 77 HB VAL 77 165.922 13.336 -3.488 573 1HG1 VAL 77 HG11 VAL 77 167.048 15.028 -1.265 574 2HG1 VAL 77 HG12 VAL 77 166.544 15.575 -2.864 575 3HG1 VAL 77 HG13 VAL 77 167.939 14.514 -2.696 576 1HG2 VAL 77 HG21 VAL 77 166.316 12.176 -0.806 577 2HG2 VAL 77 HG22 VAL 77 167.778 12.461 -1.750 578 3HG2 VAL 77 HG23 VAL 77 166.494 11.442 -2.400 579 H ASN 78 HN ASN 78 165.122 16.287 -1.660 580 HA ASN 78 HA ASN 78 162.813 17.086 -3.238 581 1HB ASN 78 HB2 ASN 78 164.874 18.891 -1.965 582 2HB ASN 78 HB1 ASN 78 163.237 19.308 -2.464 583 1HD2 ASN 78 HD21 ASN 78 165.115 18.672 0.125 584 2HD2 ASN 78 HD22 ASN 78 163.911 18.144 1.246 585 H GLU 79 HN GLU 79 163.882 19.491 -4.310 586 HA GLU 79 HA GLU 79 164.960 18.491 -6.740 587 1HB GLU 79 HB2 GLU 79 165.021 20.831 -7.446 588 2HB GLU 79 HB1 GLU 79 163.484 20.437 -6.687 589 1HG GLU 79 HG2 GLU 79 164.729 21.353 -4.541 590 2HG GLU 79 HG1 GLU 79 165.661 22.221 -5.760 591 H GLN 80 HN GLN 80 166.466 19.227 -3.811 592 HA GLN 80 HA GLN 80 168.949 20.083 -5.046 593 1HB GLN 80 HB2 GLN 80 169.639 19.952 -2.485 594 2HB GLN 80 HB1 GLN 80 168.740 21.311 -3.145 595 1HG GLN 80 HG2 GLN 80 166.712 20.559 -2.229 596 2HG GLN 80 HG1 GLN 80 167.378 18.974 -1.850 597 1HE2 GLN 80 HE21 GLN 80 169.661 19.479 -0.575 598 2HE2 GLN 80 HE22 GLN 80 169.388 20.390 0.867 599 H ASP 81 HN ASP 81 168.765 17.914 -2.273 600 HA ASP 81 HA ASP 81 169.333 15.501 -3.549 601 1HB ASP 81 HB2 ASP 81 171.805 15.354 -2.999 602 2HB ASP 81 HB1 ASP 81 171.384 16.395 -4.357 603 H GLU 82 HN GLU 82 169.940 17.533 -0.733 604 HA GLU 82 HA GLU 82 170.511 15.551 1.143 605 1HB GLU 82 HB2 GLU 82 169.092 18.197 1.476 606 2HB GLU 82 HB1 GLU 82 169.606 17.189 2.822 607 1HG GLU 82 HG2 GLU 82 171.940 17.353 1.942 608 2HG GLU 82 HG1 GLU 82 171.348 18.537 0.777 609 H MET 83 HN MET 83 169.328 14.020 2.125 610 HA MET 83 HA MET 83 166.433 14.008 1.615 611 1HB MET 83 HB2 MET 83 167.631 12.090 0.689 612 2HB MET 83 HB1 MET 83 168.302 11.724 2.273 613 1HG MET 83 HG2 MET 83 165.812 11.562 2.996 614 2HG MET 83 HG1 MET 83 165.516 11.368 1.269 615 1HE MET 83 HE1 MET 83 168.451 9.772 0.619 616 2HE MET 83 HE2 MET 83 166.888 9.624 -0.185 617 3HE MET 83 HE3 MET 83 167.683 8.191 0.468 618 H ASP 84 HN ASP 84 165.122 14.390 3.256 619 HA ASP 84 HA ASP 84 166.134 13.985 5.993 620 1HB ASP 84 HB2 ASP 84 164.497 15.742 6.669 621 2HB ASP 84 HB1 ASP 84 165.748 16.331 5.578 622 H ASP 85 HN ASP 85 164.084 12.690 3.753 623 HA ASP 85 HA ASP 85 162.476 11.420 5.844 624 1HB ASP 85 HB2 ASP 85 161.453 12.771 3.352 625 2HB ASP 85 HB1 ASP 85 160.534 11.487 4.148 626 H VAL 86 HN VAL 86 163.139 9.385 5.756 627 HA VAL 86 HA VAL 86 163.733 8.158 3.166 628 HB VAL 86 HB VAL 86 165.514 7.595 4.504 629 1HG1 VAL 86 HG11 VAL 86 163.622 7.399 6.838 630 2HG1 VAL 86 HG12 VAL 86 164.799 8.674 6.520 631 3HG1 VAL 86 HG13 VAL 86 165.349 7.044 6.914 632 1HG2 VAL 86 HG21 VAL 86 164.069 5.531 3.774 633 2HG2 VAL 86 HG22 VAL 86 163.868 5.327 5.515 634 3HG2 VAL 86 HG23 VAL 86 165.483 5.324 4.807 635 H PHE 87 HN PHE 87 162.626 6.465 2.343 636 HA PHE 87 HA PHE 87 160.026 5.884 3.520 637 1HB PHE 87 HB2 PHE 87 161.266 5.636 0.834 638 2HB PHE 87 HB1 PHE 87 160.069 4.416 1.249 639 HD1 PHE 87 HD1 PHE 87 158.037 5.772 2.685 640 HD2 PHE 87 HD2 PHE 87 160.362 7.187 -0.582 641 HE1 PHE 87 HE1 PHE 87 156.228 7.324 2.079 642 HE2 PHE 87 HE2 PHE 87 158.561 8.748 -1.194 643 HZ PHE 87 HZ PHE 87 156.492 8.821 0.137 644 H ALA 88 HN ALA 88 162.924 4.214 2.416 645 HA ALA 88 HA ALA 88 162.430 2.076 4.343 646 1HB ALA 88 HB1 ALA 88 162.412 0.338 2.847 647 2HB ALA 88 HB2 ALA 88 163.282 1.247 1.611 648 3HB ALA 88 HB3 ALA 88 161.574 1.572 1.908 649 H LYS 89 HN LYS 89 164.414 0.515 4.301 650 HA LYS 89 HA LYS 89 166.898 1.776 3.527 651 1HB LYS 89 HB2 LYS 89 166.840 0.874 6.354 652 2HB LYS 89 HB1 LYS 89 167.767 2.167 5.611 653 1HG LYS 89 HG2 LYS 89 165.598 3.467 5.491 654 2HG LYS 89 HG1 LYS 89 164.911 2.225 6.539 655 1HD LYS 89 HD2 LYS 89 167.370 3.009 7.687 656 2HD LYS 89 HD1 LYS 89 166.519 4.487 7.234 657 1HE LYS 89 HE2 LYS 89 164.515 3.632 8.425 658 2HE LYS 89 HE1 LYS 89 165.468 2.248 8.960 659 1HZ LYS 89 HZ1 LYS 89 165.223 4.308 10.483 660 2HZ LYS 89 HZ2 LYS 89 166.432 4.973 9.505 661 3HZ LYS 89 HZ3 LYS 89 166.727 3.543 10.358 662 H PHE 90 HN PHE 90 168.410 0.197 3.035 663 HA PHE 90 HA PHE 90 167.635 -2.564 3.724 664 1HB PHE 90 HB2 PHE 90 169.097 -1.722 1.221 665 2HB PHE 90 HB1 PHE 90 168.437 -3.310 1.589 666 HD1 PHE 90 HD1 PHE 90 167.247 0.227 1.361 667 HD2 PHE 90 HD2 PHE 90 166.490 -3.880 0.541 668 HE1 PHE 90 HE1 PHE 90 165.150 0.844 0.232 669 HE2 PHE 90 HE2 PHE 90 164.393 -3.271 -0.594 670 HZ PHE 90 HZ PHE 90 163.719 -0.906 -0.745 671 H LEU 91 HN LEU 91 169.176 -4.000 4.348 672 HA LEU 91 HA LEU 91 171.928 -2.989 4.638 673 1HB LEU 91 HB2 LEU 91 170.571 -4.962 6.478 674 2HB LEU 91 HB1 LEU 91 172.165 -4.261 6.670 675 HG LEU 91 HG LEU 91 169.707 -2.530 6.689 676 1HD1 LEU 91 HD11 LEU 91 169.245 -4.145 8.378 677 2HD1 LEU 91 HD12 LEU 91 169.836 -2.694 9.185 678 3HD1 LEU 91 HD13 LEU 91 170.903 -4.081 8.976 679 1HD2 LEU 91 HD21 LEU 91 171.118 -0.889 7.221 680 2HD2 LEU 91 HD22 LEU 91 172.414 -1.980 6.730 681 3HD2 LEU 91 HD23 LEU 91 171.941 -1.879 8.427 682 H ILE 92 HN ILE 92 173.494 -4.291 3.794 683 HA ILE 92 HA ILE 92 172.776 -7.056 3.131 684 HB ILE 92 HB ILE 92 174.262 -5.714 0.979 685 1HG1 ILE 92 HG12 ILE 92 171.364 -5.035 1.534 686 2HG1 ILE 92 HG11 ILE 92 172.716 -3.910 1.495 687 1HG2 ILE 92 HG21 ILE 92 171.976 -7.024 0.025 688 2HG2 ILE 92 HG22 ILE 92 172.546 -7.984 1.391 689 3HG2 ILE 92 HG23 ILE 92 173.633 -7.630 0.049 690 1HD1 ILE 92 HD11 ILE 92 172.576 -3.675 -0.706 691 2HD1 ILE 92 HD12 ILE 92 171.008 -4.471 -0.571 692 3HD1 ILE 92 HD13 ILE 92 172.443 -5.413 -0.971 693 H SER 93 HN SER 93 174.399 -8.500 3.013 694 HA SER 93 HA SER 93 176.800 -7.917 4.420 695 1HB SER 93 HB2 SER 93 175.408 -10.250 3.549 696 2HB SER 93 HB1 SER 93 177.071 -10.369 2.978 697 HG SER 93 HG SER 93 177.640 -9.779 5.224 698 H HIS 94 HN HIS 94 178.775 -7.369 3.699 699 HA HIS 94 HA HIS 94 179.131 -6.436 1.064 700 1HB HIS 94 HB2 HIS 94 180.920 -6.835 3.423 701 2HB HIS 94 HB1 HIS 94 181.660 -6.555 1.847 702 HD1 HIS 94 HD1 HIS 94 181.874 -4.188 1.141 703 HD2 HIS 94 HD2 HIS 94 179.099 -4.652 4.196 704 HE1 HIS 94 HE1 HIS 94 181.199 -1.856 1.795 705 HE2 HIS 94 HE2 HIS 94 179.451 -2.166 3.582 706 H ARG 95 HN ARG 95 179.866 -9.491 2.607 707 HA ARG 95 HA ARG 95 181.502 -10.486 0.477 708 1HB ARG 95 HB2 ARG 95 181.175 -12.688 1.657 709 2HB ARG 95 HB1 ARG 95 181.868 -11.405 2.640 710 1HG ARG 95 HG2 ARG 95 179.009 -11.375 2.869 711 2HG ARG 95 HG1 ARG 95 179.631 -12.990 3.210 712 1HD ARG 95 HD2 ARG 95 181.396 -11.399 4.561 713 2HD ARG 95 HD1 ARG 95 179.885 -10.508 4.742 714 HE ARG 95 HE ARG 95 179.648 -13.313 5.321 715 1HH1 ARG 95 HH11 ARG 95 180.466 -10.181 6.627 716 2HH1 ARG 95 HH12 ARG 95 180.126 -10.636 8.263 717 1HH2 ARG 95 HH21 ARG 95 179.200 -13.912 7.473 718 2HH2 ARG 95 HH22 ARG 95 179.407 -12.754 8.744 719 H GLU 96 HN GLU 96 180.806 -12.787 -0.368 720 HA GLU 96 HA GLU 96 178.153 -12.439 -1.591 721 1HB GLU 96 HB2 GLU 96 178.977 -13.484 -3.561 722 2HB GLU 96 HB1 GLU 96 180.176 -12.290 -3.079 723 1HG GLU 96 HG2 GLU 96 180.827 -14.780 -1.860 724 2HG GLU 96 HG1 GLU 96 180.542 -15.042 -3.580 725 H GLU 97 HN GLU 97 179.966 -14.378 0.496 726 HA GLU 97 HA GLU 97 178.988 -16.949 -0.012 727 1HB GLU 97 HB2 GLU 97 179.676 -17.447 2.287 728 2HB GLU 97 HB1 GLU 97 180.897 -16.515 1.435 729 1HG GLU 97 HG2 GLU 97 180.759 -14.806 2.856 730 2HG GLU 97 HG1 GLU 97 178.997 -14.858 2.895 731 H ASP 98 HN ASP 98 178.036 -16.988 2.975 732 HA ASP 98 HA ASP 98 175.245 -17.091 2.334 733 1HB ASP 98 HB2 ASP 98 176.223 -17.105 5.170 734 2HB ASP 98 HB1 ASP 98 174.907 -18.018 4.440 735 H ARG 99 HN ARG 99 175.899 -14.602 1.676 736 HA ARG 99 HA ARG 99 175.775 -12.637 3.660 737 1HB ARG 99 HB2 ARG 99 175.095 -11.120 1.785 738 2HB ARG 99 HB1 ARG 99 176.561 -12.053 1.484 739 1HG ARG 99 HG2 ARG 99 175.616 -12.549 -0.473 740 2HG ARG 99 HG1 ARG 99 174.628 -13.682 0.451 741 1HD ARG 99 HD2 ARG 99 173.075 -11.640 0.820 742 2HD ARG 99 HD1 ARG 99 173.935 -10.949 -0.558 743 HE ARG 99 HE ARG 99 173.057 -13.548 -1.198 744 1HH1 ARG 99 HH11 ARG 99 171.811 -10.333 -0.659 745 2HH1 ARG 99 HH12 ARG 99 170.441 -10.555 -1.695 746 1HH2 ARG 99 HH21 ARG 99 171.255 -13.842 -2.561 747 2HH2 ARG 99 HH22 ARG 99 170.124 -12.547 -2.774 748 H GLU 100 HN GLU 100 174.165 -11.470 4.543 749 HA GLU 100 HA GLU 100 171.410 -12.404 4.059 750 1HB GLU 100 HB2 GLU 100 172.700 -11.460 6.623 751 2HB GLU 100 HB1 GLU 100 170.969 -11.705 6.438 752 1HG GLU 100 HG2 GLU 100 173.002 -13.867 5.965 753 2HG GLU 100 HG1 GLU 100 172.225 -13.582 7.522 754 H PHE 101 HN PHE 101 169.731 -10.849 4.098 755 HA PHE 101 HA PHE 101 170.549 -8.045 4.171 756 1HB PHE 101 HB2 PHE 101 169.517 -7.507 2.086 757 2HB PHE 101 HB1 PHE 101 170.575 -8.881 1.788 758 HD1 PHE 101 HD1 PHE 101 169.648 -11.088 1.328 759 HD2 PHE 101 HD2 PHE 101 167.133 -7.706 1.917 760 HE1 PHE 101 HE1 PHE 101 167.760 -12.327 0.350 761 HE2 PHE 101 HE2 PHE 101 165.240 -8.938 0.940 762 HZ PHE 101 HZ PHE 101 165.552 -11.252 0.156 763 H HIS 102 HN HIS 102 168.968 -6.626 4.858 764 HA HIS 102 HA HIS 102 166.264 -7.598 5.271 765 1HB HIS 102 HB2 HIS 102 166.524 -6.650 7.739 766 2HB HIS 102 HB1 HIS 102 166.868 -8.330 7.348 767 HD1 HIS 102 HD1 HIS 102 168.193 -5.853 9.354 768 HD2 HIS 102 HD2 HIS 102 169.902 -8.341 6.501 769 HE1 HIS 102 HE1 HIS 102 170.645 -5.931 9.909 770 HE2 HIS 102 HE2 HIS 102 171.670 -7.368 8.113 771 H VAL 103 HN VAL 103 164.972 -6.080 4.624 772 HA VAL 103 HA VAL 103 165.825 -3.269 4.812 773 HB VAL 103 HB VAL 103 165.346 -4.084 2.535 774 1HG1 VAL 103 HG11 VAL 103 163.610 -5.719 3.120 775 2HG1 VAL 103 HG12 VAL 103 163.068 -4.607 1.862 776 3HG1 VAL 103 HG13 VAL 103 162.513 -4.398 3.524 777 1HG2 VAL 103 HG21 VAL 103 165.079 -1.816 2.567 778 2HG2 VAL 103 HG22 VAL 103 163.811 -1.869 3.787 779 3HG2 VAL 103 HG23 VAL 103 163.442 -2.293 2.120 780 H ILE 104 HN ILE 104 164.495 -1.686 5.647 781 HA ILE 104 HA ILE 104 162.159 -2.666 7.156 782 HB ILE 104 HB ILE 104 162.538 -0.403 8.419 783 1HG1 ILE 104 HG12 ILE 104 164.479 0.118 6.778 784 2HG1 ILE 104 HG11 ILE 104 164.706 0.463 8.487 785 1HG2 ILE 104 HG21 ILE 104 163.868 -1.591 10.085 786 2HG2 ILE 104 HG22 ILE 104 164.244 -2.837 8.894 787 3HG2 ILE 104 HG23 ILE 104 162.579 -2.601 9.427 788 1HD1 ILE 104 HD11 ILE 104 166.409 -0.953 8.647 789 2HD1 ILE 104 HD12 ILE 104 166.424 -0.934 6.884 790 3HD1 ILE 104 HD13 ILE 104 165.569 -2.213 7.743 791 H TRP 105 HN TRP 105 160.218 -1.725 6.865 792 HA TRP 105 HA TRP 105 160.100 0.547 4.987 793 1HB TRP 105 HB2 TRP 105 157.910 -1.497 5.352 794 2HB TRP 105 HB1 TRP 105 158.055 -0.285 4.085 795 HD1 TRP 105 HD1 TRP 105 158.987 -3.823 4.908 796 HE1 TRP 105 HE1 TRP 105 160.311 -4.848 2.952 797 HE3 TRP 105 HE3 TRP 105 159.894 0.427 2.216 798 HZ2 TRP 105 HZ2 TRP 105 161.565 -3.968 0.575 799 HZ3 TRP 105 HZ3 TRP 105 161.139 0.256 0.119 800 HH2 TRP 105 HH2 TRP 105 161.972 -1.899 -0.687 801 H LYS 106 HN LYS 106 158.550 2.154 5.334 802 HA LYS 106 HA LYS 106 158.081 2.805 8.049 803 1HB LYS 106 HB2 LYS 106 158.380 4.423 6.133 804 2HB LYS 106 HB1 LYS 106 156.740 4.027 5.641 805 1HG LYS 106 HG2 LYS 106 155.794 5.074 7.469 806 2HG LYS 106 HG1 LYS 106 157.275 4.971 8.423 807 1HD LYS 106 HD2 LYS 106 157.652 6.512 5.993 808 2HD LYS 106 HD1 LYS 106 156.367 7.177 7.003 809 1HE LYS 106 HE2 LYS 106 158.189 6.733 8.898 810 2HE LYS 106 HE1 LYS 106 159.276 6.945 7.526 811 1HZ LYS 106 HZ1 LYS 106 157.686 9.023 7.167 812 2HZ LYS 106 HZ2 LYS 106 159.072 9.096 8.134 813 3HZ LYS 106 HZ3 LYS 106 157.553 8.885 8.849 814 H LYS 107 HN LYS 107 156.073 3.094 9.129 815 HA LYS 107 HA LYS 107 154.058 1.127 8.311 816 1HB LYS 107 HB2 LYS 107 154.443 2.504 10.975 817 2HB LYS 107 HB1 LYS 107 153.270 1.241 10.631 818 1HG LYS 107 HG2 LYS 107 154.795 -0.400 10.781 819 2HG LYS 107 HG1 LYS 107 156.059 0.558 10.008 820 1HD LYS 107 HD2 LYS 107 156.574 1.680 12.028 821 2HD LYS 107 HD1 LYS 107 155.111 1.086 12.815 822 1HE LYS 107 HE2 LYS 107 156.056 -0.876 13.362 823 2HE LYS 107 HE1 LYS 107 156.876 -1.023 11.808 824 1HZ LYS 107 HZ1 LYS 107 157.766 0.584 14.140 825 2HZ LYS 107 HZ2 LYS 107 158.512 0.618 12.622 826 3HZ LYS 107 HZ3 LYS 107 158.501 -0.811 13.527 Start of MODEL 17 1 H MET 1 HT1 MET 1 190.992 -17.662 6.513 2 HA MET 1 HA MET 1 193.297 -16.970 7.069 3 1HB MET 1 HB2 MET 1 192.209 -19.259 6.073 4 2HB MET 1 HB1 MET 1 193.479 -18.960 4.895 5 1HG MET 1 HG2 MET 1 195.110 -18.829 6.747 6 2HG MET 1 HG1 MET 1 193.819 -19.252 7.869 7 1HE MET 1 HE1 MET 1 195.938 -22.332 7.976 8 2HE MET 1 HE2 MET 1 196.088 -20.591 8.217 9 3HE MET 1 HE3 MET 1 196.832 -21.354 6.811 10 H THR 2 HN THR 2 192.671 -17.278 3.568 11 HA THR 2 HA THR 2 195.017 -15.564 3.084 12 HB THR 2 HB THR 2 194.625 -18.014 2.052 13 HG1 THR 2 HG1 THR 2 196.261 -17.466 0.849 14 1HG2 THR 2 HG21 THR 2 193.697 -16.498 -0.312 15 2HG2 THR 2 HG22 THR 2 192.488 -16.965 0.884 16 3HG2 THR 2 HG23 THR 2 193.487 -18.197 0.113 17 H THR 3 HN THR 3 192.264 -14.696 3.818 18 HA THR 3 HA THR 3 190.812 -13.038 3.287 19 HB THR 3 HB THR 3 193.134 -12.375 1.482 20 HG1 THR 3 HG1 THR 3 192.042 -11.034 3.723 21 1HG2 THR 3 HG21 THR 3 190.819 -10.501 1.886 22 2HG2 THR 3 HG22 THR 3 191.002 -11.503 0.445 23 3HG2 THR 3 HG23 THR 3 192.227 -10.301 0.845 24 H GLU 4 HN GLU 4 189.102 -14.216 2.527 25 HA GLU 4 HA GLU 4 188.990 -14.679 -0.380 26 1HB GLU 4 HB2 GLU 4 187.329 -16.431 0.104 27 2HB GLU 4 HB1 GLU 4 188.869 -16.751 0.890 28 1HG GLU 4 HG2 GLU 4 188.001 -16.008 3.006 29 2HG GLU 4 HG1 GLU 4 186.486 -15.517 2.250 30 H ILE 5 HN ILE 5 187.287 -13.417 2.418 31 HA ILE 5 HA ILE 5 184.948 -12.677 0.895 32 HB ILE 5 HB ILE 5 185.687 -11.794 3.685 33 1HG1 ILE 5 HG12 ILE 5 185.708 -14.226 3.597 34 2HG1 ILE 5 HG11 ILE 5 184.272 -13.676 4.455 35 1HG2 ILE 5 HG21 ILE 5 182.990 -11.962 3.613 36 2HG2 ILE 5 HG22 ILE 5 183.333 -11.485 1.950 37 3HG2 ILE 5 HG23 ILE 5 183.899 -10.486 3.289 38 1HD1 ILE 5 HD11 ILE 5 183.499 -15.386 3.093 39 2HD1 ILE 5 HD12 ILE 5 184.485 -14.872 1.724 40 3HD1 ILE 5 HD13 ILE 5 183.077 -13.923 2.203 41 H LYS 6 HN LYS 6 184.488 -10.739 0.018 42 HA LYS 6 HA LYS 6 186.481 -8.594 0.352 43 1HB LYS 6 HB2 LYS 6 185.841 -9.859 -1.975 44 2HB LYS 6 HB1 LYS 6 184.732 -8.495 -2.020 45 1HG LYS 6 HG2 LYS 6 186.478 -7.490 -3.023 46 2HG LYS 6 HG1 LYS 6 186.985 -7.207 -1.357 47 1HD LYS 6 HD2 LYS 6 188.327 -9.285 -1.456 48 2HD LYS 6 HD1 LYS 6 187.879 -9.460 -3.154 49 1HE LYS 6 HE2 LYS 6 189.175 -7.680 -3.818 50 2HE LYS 6 HE1 LYS 6 189.098 -6.899 -2.239 51 1HZ LYS 6 HZ1 LYS 6 191.298 -7.797 -2.696 52 2HZ LYS 6 HZ2 LYS 6 190.653 -9.350 -2.871 53 3HZ LYS 6 HZ3 LYS 6 190.595 -8.576 -1.368 54 H LYS 7 HN LYS 7 185.622 -6.376 0.074 55 HA LYS 7 HA LYS 7 183.123 -6.122 1.540 56 1HB LYS 7 HB2 LYS 7 185.357 -4.234 0.857 57 2HB LYS 7 HB1 LYS 7 183.816 -3.622 1.442 58 1HG LYS 7 HG2 LYS 7 184.322 -5.521 3.294 59 2HG LYS 7 HG1 LYS 7 185.967 -5.023 2.874 60 1HD LYS 7 HD2 LYS 7 184.330 -2.695 3.146 61 2HD LYS 7 HD1 LYS 7 184.114 -3.715 4.570 62 1HE LYS 7 HE2 LYS 7 186.811 -3.820 4.236 63 2HE LYS 7 HE1 LYS 7 186.456 -2.188 3.672 64 1HZ LYS 7 HZ1 LYS 7 186.003 -3.359 6.341 65 2HZ LYS 7 HZ2 LYS 7 185.112 -2.014 5.833 66 3HZ LYS 7 HZ3 LYS 7 186.798 -1.922 5.931 67 H LEU 8 HN LEU 8 181.878 -3.974 0.838 68 HA LEU 8 HA LEU 8 181.181 -4.377 -1.986 69 1HB LEU 8 HB2 LEU 8 179.632 -4.165 0.391 70 2HB LEU 8 HB1 LEU 8 179.253 -2.781 -0.617 71 HG LEU 8 HG LEU 8 179.103 -5.653 -1.530 72 1HD1 LEU 8 HD11 LEU 8 176.794 -3.822 -0.945 73 2HD1 LEU 8 HD12 LEU 8 177.454 -4.930 0.259 74 3HD1 LEU 8 HD13 LEU 8 176.772 -5.561 -1.240 75 1HD2 LEU 8 HD21 LEU 8 177.812 -4.640 -3.408 76 2HD2 LEU 8 HD22 LEU 8 179.518 -4.191 -3.380 77 3HD2 LEU 8 HD23 LEU 8 178.296 -3.049 -2.819 78 H ASP 9 HN ASP 9 180.993 -2.661 -3.393 79 HA ASP 9 HA ASP 9 182.493 -0.288 -2.667 80 1HB ASP 9 HB2 ASP 9 181.624 -1.585 -5.180 81 2HB ASP 9 HB1 ASP 9 181.713 0.174 -5.223 82 HA PRO 10 HA PRO 10 179.209 2.530 -1.899 83 1HB PRO 10 HB2 PRO 10 179.876 4.643 -3.572 84 2HB PRO 10 HB1 PRO 10 180.554 4.366 -1.960 85 1HG PRO 10 HG2 PRO 10 181.690 3.692 -4.640 86 2HG PRO 10 HG1 PRO 10 182.511 4.303 -3.192 87 1HD PRO 10 HD2 PRO 10 182.660 1.722 -3.902 88 2HD PRO 10 HD1 PRO 10 182.580 2.210 -2.196 89 H ASP 11 HN ASP 11 179.968 3.022 -5.350 90 HA ASP 11 HA ASP 11 177.339 3.477 -6.162 91 1HB ASP 11 HB2 ASP 11 179.701 3.702 -7.394 92 2HB ASP 11 HB1 ASP 11 179.194 2.163 -8.083 93 H THR 12 HN THR 12 179.118 0.495 -5.735 94 HA THR 12 HA THR 12 177.239 -1.173 -7.086 95 HB THR 12 HB THR 12 179.396 -1.820 -5.069 96 HG1 THR 12 HG1 THR 12 180.494 -1.338 -6.812 97 1HG2 THR 12 HG21 THR 12 178.028 -3.771 -6.898 98 2HG2 THR 12 HG22 THR 12 177.619 -3.578 -5.192 99 3HG2 THR 12 HG23 THR 12 179.237 -4.107 -5.658 100 H ALA 13 HN ALA 13 177.676 -0.117 -3.755 101 HA ALA 13 HA ALA 13 175.840 -1.902 -2.563 102 1HB ALA 13 HB1 ALA 13 177.629 -0.256 -1.535 103 2HB ALA 13 HB2 ALA 13 176.206 -0.755 -0.621 104 3HB ALA 13 HB3 ALA 13 176.233 0.816 -1.422 105 H ILE 14 HN ILE 14 175.449 1.050 -4.342 106 HA ILE 14 HA ILE 14 172.751 1.529 -3.451 107 HB ILE 14 HB ILE 14 174.187 2.733 -5.820 108 1HG1 ILE 14 HG12 ILE 14 173.946 3.734 -2.973 109 2HG1 ILE 14 HG11 ILE 14 175.415 3.125 -3.728 110 1HG2 ILE 14 HG21 ILE 14 171.807 3.745 -4.270 111 2HG2 ILE 14 HG22 ILE 14 171.724 2.941 -5.838 112 3HG2 ILE 14 HG23 ILE 14 172.544 4.495 -5.686 113 1HD1 ILE 14 HD11 ILE 14 175.779 5.037 -4.869 114 2HD1 ILE 14 HD12 ILE 14 174.834 5.716 -3.542 115 3HD1 ILE 14 HD13 ILE 14 174.060 5.366 -5.088 116 H ASP 15 HN ASP 15 174.120 0.785 -6.667 117 HA ASP 15 HA ASP 15 171.821 0.259 -8.039 118 1HB ASP 15 HB2 ASP 15 174.625 -0.652 -8.274 119 2HB ASP 15 HB1 ASP 15 173.432 -1.615 -9.141 120 H ILE 16 HN ILE 16 173.397 -1.831 -5.706 121 HA ILE 16 HA ILE 16 171.788 -4.125 -6.362 122 HB ILE 16 HB ILE 16 172.663 -5.041 -4.164 123 1HG1 ILE 16 HG12 ILE 16 174.956 -3.466 -3.870 124 2HG1 ILE 16 HG11 ILE 16 173.625 -2.313 -3.972 125 1HG2 ILE 16 HG21 ILE 16 174.437 -5.897 -5.266 126 2HG2 ILE 16 HG22 ILE 16 175.033 -4.314 -5.765 127 3HG2 ILE 16 HG23 ILE 16 173.698 -5.068 -6.636 128 1HD1 ILE 16 HD11 ILE 16 173.061 -2.739 -1.884 129 2HD1 ILE 16 HD12 ILE 16 174.465 -3.799 -1.757 130 3HD1 ILE 16 HD13 ILE 16 172.902 -4.460 -2.237 131 H ALA 17 HN ALA 17 171.827 -1.751 -3.707 132 HA ALA 17 HA ALA 17 169.562 -2.800 -2.374 133 1HB ALA 17 HB1 ALA 17 171.050 -0.216 -2.279 134 2HB ALA 17 HB2 ALA 17 170.791 -1.413 -1.010 135 3HB ALA 17 HB3 ALA 17 169.478 -0.337 -1.489 136 H TYR 18 HN TYR 18 170.005 -0.461 -4.948 137 HA TYR 18 HA TYR 18 167.435 0.636 -5.036 138 1HB TYR 18 HB2 TYR 18 169.526 1.366 -6.317 139 2HB TYR 18 HB1 TYR 18 169.136 0.094 -7.470 140 HD1 TYR 18 HD1 TYR 18 168.847 3.484 -6.875 141 HD2 TYR 18 HD2 TYR 18 166.527 0.182 -8.222 142 HE1 TYR 18 HE1 TYR 18 167.342 5.030 -8.053 143 HE2 TYR 18 HE2 TYR 18 165.014 1.719 -9.403 144 HH TYR 18 HH TYR 18 164.337 4.024 -9.372 145 H ASP 19 HN ASP 19 168.795 -2.248 -6.579 146 HA ASP 19 HA ASP 19 166.452 -2.961 -8.004 147 1HB ASP 19 HB2 ASP 19 169.035 -4.244 -7.330 148 2HB ASP 19 HB1 ASP 19 167.694 -5.348 -7.653 149 H ILE 20 HN ILE 20 167.505 -3.388 -4.724 150 HA ILE 20 HA ILE 20 165.635 -5.455 -4.052 151 HB ILE 20 HB ILE 20 167.132 -3.552 -2.240 152 1HG1 ILE 20 HG12 ILE 20 167.779 -6.454 -2.713 153 2HG1 ILE 20 HG11 ILE 20 168.435 -5.191 -3.758 154 1HG2 ILE 20 HG21 ILE 20 165.137 -4.513 -1.185 155 2HG2 ILE 20 HG22 ILE 20 166.623 -5.123 -0.455 156 3HG2 ILE 20 HG23 ILE 20 165.715 -6.131 -1.582 157 1HD1 ILE 20 HD11 ILE 20 170.067 -4.882 -2.304 158 2HD1 ILE 20 HD12 ILE 20 169.356 -6.077 -1.219 159 3HD1 ILE 20 HD13 ILE 20 168.883 -4.382 -1.096 160 H PHE 21 HN PHE 21 165.605 -1.974 -4.194 161 HA PHE 21 HA PHE 21 163.323 -1.569 -2.554 162 1HB PHE 21 HB2 PHE 21 165.014 0.191 -3.212 163 2HB PHE 21 HB1 PHE 21 164.289 0.192 -4.815 164 HD1 PHE 21 HD1 PHE 21 162.481 -0.094 -1.594 165 HD2 PHE 21 HD2 PHE 21 163.473 2.384 -4.909 166 HE1 PHE 21 HE1 PHE 21 160.831 1.567 -0.842 167 HE2 PHE 21 HE2 PHE 21 161.827 4.050 -4.160 168 HZ PHE 21 HZ PHE 21 160.502 3.643 -2.125 169 H LEU 22 HN LEU 22 163.820 -1.895 -6.050 170 HA LEU 22 HA LEU 22 160.994 -1.755 -6.599 171 1HB LEU 22 HB2 LEU 22 163.406 -2.346 -8.296 172 2HB LEU 22 HB1 LEU 22 161.771 -2.458 -8.927 173 HG LEU 22 HG LEU 22 162.900 -0.322 -9.474 174 1HD1 LEU 22 HD11 LEU 22 160.340 -0.746 -8.868 175 2HD1 LEU 22 HD12 LEU 22 160.960 0.828 -9.364 176 3HD1 LEU 22 HD13 LEU 22 160.718 0.474 -7.653 177 1HD2 LEU 22 HD21 LEU 22 164.195 -0.160 -7.358 178 2HD2 LEU 22 HD22 LEU 22 162.697 0.247 -6.520 179 3HD2 LEU 22 HD23 LEU 22 163.326 1.318 -7.772 180 H GLU 23 HN GLU 23 162.898 -4.116 -5.291 181 HA GLU 23 HA GLU 23 161.586 -6.347 -6.640 182 1HB GLU 23 HB2 GLU 23 164.077 -5.962 -5.242 183 2HB GLU 23 HB1 GLU 23 163.199 -7.316 -4.552 184 1HG GLU 23 HG2 GLU 23 164.109 -6.961 -7.388 185 2HG GLU 23 HG1 GLU 23 164.618 -8.180 -6.220 186 H MET 24 HN MET 24 162.156 -5.336 -3.262 187 HA MET 24 HA MET 24 159.986 -7.060 -2.395 188 1HB MET 24 HB2 MET 24 161.716 -5.333 -0.644 189 2HB MET 24 HB1 MET 24 160.804 -6.767 -0.192 190 1HG MET 24 HG2 MET 24 162.302 -8.201 -1.299 191 2HG MET 24 HG1 MET 24 163.060 -6.864 -2.173 192 1HE MET 24 HE1 MET 24 163.389 -7.432 2.370 193 2HE MET 24 HE2 MET 24 161.980 -7.745 1.357 194 3HE MET 24 HE3 MET 24 162.435 -6.086 1.746 195 H ALA 25 HN ALA 25 160.602 -3.602 -2.709 196 HA ALA 25 HA ALA 25 158.654 -2.618 -0.986 197 1HB ALA 25 HB1 ALA 25 159.269 -1.402 -3.670 198 2HB ALA 25 HB2 ALA 25 160.340 -1.269 -2.274 199 3HB ALA 25 HB3 ALA 25 158.716 -0.587 -2.207 200 H GLY 26 HN GLY 26 156.523 -2.831 -0.915 201 1HA GLY 26 HA2 GLY 26 154.404 -2.495 -2.131 202 2HA GLY 26 HA1 GLY 26 155.094 -3.463 -3.426 203 H GLU 27 HN GLU 27 155.361 -4.145 0.007 204 HA GLU 27 HA GLU 27 153.267 -6.099 0.034 205 1HB GLU 27 HB2 GLU 27 156.131 -6.960 -0.239 206 2HB GLU 27 HB1 GLU 27 154.963 -7.977 0.592 207 1HG GLU 27 HG2 GLU 27 153.550 -7.722 -1.544 208 2HG GLU 27 HG1 GLU 27 155.054 -7.181 -2.288 209 H ASN 28 HN ASN 28 156.078 -4.649 1.552 210 HA ASN 28 HA ASN 28 154.957 -5.334 4.188 211 1HB ASN 28 HB2 ASN 28 157.476 -5.929 3.256 212 2HB ASN 28 HB1 ASN 28 157.749 -4.424 4.143 213 1HD2 ASN 28 HD21 ASN 28 158.852 -5.298 5.827 214 2HD2 ASN 28 HD22 ASN 28 158.149 -6.376 6.979 215 H LEU 29 HN LEU 29 156.343 -2.821 2.173 216 HA LEU 29 HA LEU 29 156.174 -0.800 4.212 217 1HB LEU 29 HB2 LEU 29 157.916 -0.540 2.668 218 2HB LEU 29 HB1 LEU 29 156.865 -0.795 1.295 219 HG LEU 29 HG LEU 29 156.525 1.616 3.046 220 1HD1 LEU 29 HD11 LEU 29 158.678 2.099 2.535 221 2HD1 LEU 29 HD12 LEU 29 157.934 2.639 1.031 222 3HD1 LEU 29 HD13 LEU 29 158.696 1.052 1.116 223 1HD2 LEU 29 HD21 LEU 29 155.336 0.574 0.660 224 2HD2 LEU 29 HD22 LEU 29 156.124 2.109 0.297 225 3HD2 LEU 29 HD23 LEU 29 154.915 2.017 1.574 226 H ASP 30 HN ASP 30 154.492 0.330 4.733 227 HA ASP 30 HA ASP 30 151.922 0.007 4.165 228 1HB ASP 30 HB2 ASP 30 153.450 2.083 5.338 229 2HB ASP 30 HB1 ASP 30 152.259 2.851 4.292 230 HA PRO 31 HA PRO 31 150.881 1.017 0.009 231 1HB PRO 31 HB2 PRO 31 148.394 2.129 0.372 232 2HB PRO 31 HB1 PRO 31 148.718 0.389 0.367 233 1HG PRO 31 HG2 PRO 31 148.374 2.254 2.678 234 2HG PRO 31 HG1 PRO 31 147.773 0.598 2.472 235 1HD PRO 31 HD2 PRO 31 149.930 1.156 3.979 236 2HD PRO 31 HD1 PRO 31 149.808 -0.346 3.034 237 H ALA 32 HN ALA 32 150.403 3.549 2.437 238 HA ALA 32 HA ALA 32 150.017 5.747 0.817 239 1HB ALA 32 HB1 ALA 32 149.940 5.646 3.334 240 2HB ALA 32 HB2 ALA 32 150.683 7.090 2.646 241 3HB ALA 32 HB3 ALA 32 151.696 5.809 3.310 242 H ASP 33 HN ASP 33 153.173 4.668 2.112 243 HA ASP 33 HA ASP 33 154.707 6.496 0.641 244 1HB ASP 33 HB2 ASP 33 155.431 3.829 1.851 245 2HB ASP 33 HB1 ASP 33 156.612 4.908 1.122 246 H ILE 34 HN ILE 34 153.128 3.613 -0.349 247 HA ILE 34 HA ILE 34 154.840 3.022 -2.573 248 HB ILE 34 HB ILE 34 151.992 2.156 -2.039 249 1HG1 ILE 34 HG12 ILE 34 154.547 0.579 -1.695 250 2HG1 ILE 34 HG11 ILE 34 153.755 1.447 -0.378 251 1HG2 ILE 34 HG21 ILE 34 152.486 0.365 -3.686 252 2HG2 ILE 34 HG22 ILE 34 153.995 1.193 -4.073 253 3HG2 ILE 34 HG23 ILE 34 152.450 1.983 -4.388 254 1HD1 ILE 34 HD11 ILE 34 152.408 -0.265 -0.027 255 2HD1 ILE 34 HD12 ILE 34 153.262 -1.164 -1.281 256 3HD1 ILE 34 HD13 ILE 34 151.841 -0.205 -1.696 257 H LEU 35 HN LEU 35 151.612 4.485 -2.242 258 HA LEU 35 HA LEU 35 151.158 5.105 -4.905 259 1HB LEU 35 HB2 LEU 35 149.437 5.322 -3.210 260 2HB LEU 35 HB1 LEU 35 150.322 6.622 -2.435 261 HG LEU 35 HG LEU 35 149.800 7.235 -5.219 262 1HD1 LEU 35 HD11 LEU 35 147.849 5.800 -4.886 263 2HD1 LEU 35 HD12 LEU 35 147.388 7.493 -5.061 264 3HD1 LEU 35 HD13 LEU 35 147.399 6.742 -3.465 265 1HD2 LEU 35 HD21 LEU 35 148.507 8.795 -3.097 266 2HD2 LEU 35 HD22 LEU 35 149.586 9.311 -4.394 267 3HD2 LEU 35 HD23 LEU 35 150.252 8.606 -2.921 268 H LEU 36 HN LEU 36 152.647 7.168 -2.404 269 HA LEU 36 HA LEU 36 153.225 9.331 -4.107 270 1HB LEU 36 HB2 LEU 36 153.668 8.641 -1.394 271 2HB LEU 36 HB1 LEU 36 155.226 9.084 -2.063 272 HG LEU 36 HG LEU 36 153.833 11.159 -2.973 273 1HD1 LEU 36 HD11 LEU 36 152.208 11.884 -1.274 274 2HD1 LEU 36 HD12 LEU 36 152.355 10.313 -0.487 275 3HD1 LEU 36 HD13 LEU 36 151.694 10.424 -2.118 276 1HD2 LEU 36 HD21 LEU 36 154.621 12.418 -1.061 277 2HD2 LEU 36 HD22 LEU 36 155.828 11.224 -1.535 278 3HD2 LEU 36 HD23 LEU 36 154.806 10.933 -0.128 279 H PHE 37 HN PHE 37 155.272 6.666 -2.987 280 HA PHE 37 HA PHE 37 157.634 7.209 -4.255 281 1HB PHE 37 HB2 PHE 37 157.600 5.332 -2.835 282 2HB PHE 37 HB1 PHE 37 156.243 4.602 -3.684 283 HD1 PHE 37 HD1 PHE 37 157.017 2.524 -4.348 284 HD2 PHE 37 HD2 PHE 37 159.419 5.964 -5.057 285 HE1 PHE 37 HE1 PHE 37 158.578 1.157 -5.670 286 HE2 PHE 37 HE2 PHE 37 160.983 4.603 -6.381 287 HZ PHE 37 HZ PHE 37 160.564 2.197 -6.689 288 H ASN 38 HN ASN 38 154.647 6.136 -5.696 289 HA ASN 38 HA ASN 38 155.807 5.398 -8.214 290 1HB ASN 38 HB2 ASN 38 153.022 5.701 -7.161 291 2HB ASN 38 HB1 ASN 38 153.276 5.618 -8.902 292 1HD2 ASN 38 HD21 ASN 38 151.810 3.690 -8.137 293 2HD2 ASN 38 HD22 ASN 38 152.665 2.192 -7.936 294 H LEU 39 HN LEU 39 153.872 8.171 -7.082 295 HA LEU 39 HA LEU 39 154.626 9.614 -9.528 296 1HB LEU 39 HB2 LEU 39 152.602 10.556 -7.517 297 2HB LEU 39 HB1 LEU 39 152.769 11.026 -9.197 298 HG LEU 39 HG LEU 39 150.852 9.686 -9.142 299 1HD1 LEU 39 HD11 LEU 39 151.396 7.735 -10.449 300 2HD1 LEU 39 HD12 LEU 39 153.073 7.800 -9.909 301 3HD1 LEU 39 HD13 LEU 39 152.429 9.079 -10.938 302 1HD2 LEU 39 HD21 LEU 39 150.441 7.964 -7.738 303 2HD2 LEU 39 HD22 LEU 39 151.744 8.714 -6.815 304 3HD2 LEU 39 HD23 LEU 39 152.083 7.330 -7.856 305 H GLN 40 HN GLN 40 156.651 9.326 -7.682 306 HA GLN 40 HA GLN 40 157.140 12.106 -6.990 307 1HB GLN 40 HB2 GLN 40 157.214 9.892 -4.940 308 2HB GLN 40 HB1 GLN 40 157.906 11.489 -4.695 309 1HG GLN 40 HG2 GLN 40 155.006 11.011 -5.307 310 2HG GLN 40 HG1 GLN 40 155.666 11.113 -3.675 311 1HE2 GLN 40 HE21 GLN 40 156.274 13.104 -2.855 312 2HE2 GLN 40 HE22 GLN 40 155.918 14.594 -3.652 313 H PHE 41 HN PHE 41 158.364 8.777 -6.900 314 HA PHE 41 HA PHE 41 161.088 9.390 -6.702 315 1HB PHE 41 HB2 PHE 41 159.662 7.093 -6.676 316 2HB PHE 41 HB1 PHE 41 160.376 6.998 -8.288 317 HD1 PHE 41 HD1 PHE 41 161.356 7.740 -4.765 318 HD2 PHE 41 HD2 PHE 41 162.442 6.022 -8.504 319 HE1 PHE 41 HE1 PHE 41 163.457 6.925 -3.777 320 HE2 PHE 41 HE2 PHE 41 164.543 5.203 -7.522 321 HZ PHE 41 HZ PHE 41 165.054 5.655 -5.156 322 H GLU 42 HN GLU 42 158.981 9.962 -9.284 323 HA GLU 42 HA GLU 42 160.628 9.503 -11.507 324 1HB GLU 42 HB2 GLU 42 158.239 9.977 -11.724 325 2HB GLU 42 HB1 GLU 42 158.488 11.603 -11.103 326 1HG GLU 42 HG2 GLU 42 158.228 11.604 -13.518 327 2HG GLU 42 HG1 GLU 42 159.833 12.161 -13.047 328 H GLU 43 HN GLU 43 160.196 12.383 -9.480 329 HA GLU 43 HA GLU 43 162.697 13.453 -10.613 330 1HB GLU 43 HB2 GLU 43 160.534 14.715 -11.108 331 2HB GLU 43 HB1 GLU 43 160.510 15.132 -9.400 332 1HG GLU 43 HG2 GLU 43 162.174 16.630 -9.602 333 2HG GLU 43 HG1 GLU 43 163.037 15.673 -10.805 334 H ARG 44 HN ARG 44 161.160 12.327 -7.794 335 HA ARG 44 HA ARG 44 163.216 13.617 -6.125 336 1HB ARG 44 HB2 ARG 44 160.410 12.758 -5.419 337 2HB ARG 44 HB1 ARG 44 161.613 13.208 -4.218 338 1HG ARG 44 HG2 ARG 44 161.727 15.357 -5.842 339 2HG ARG 44 HG1 ARG 44 160.038 14.888 -6.045 340 1HD ARG 44 HD2 ARG 44 160.328 14.680 -3.352 341 2HD ARG 44 HD1 ARG 44 161.424 16.013 -3.712 342 HE ARG 44 HE ARG 44 158.580 16.083 -3.752 343 1HH1 ARG 44 HH11 ARG 44 161.417 17.407 -5.294 344 2HH1 ARG 44 HH12 ARG 44 160.627 18.872 -5.772 345 1HH2 ARG 44 HH21 ARG 44 157.539 18.008 -4.380 346 2HH2 ARG 44 HH22 ARG 44 158.425 19.214 -5.252 347 H GLY 45 HN GLY 45 163.808 11.282 -7.546 348 1HA GLY 45 HA2 GLY 45 163.676 9.179 -5.485 349 2HA GLY 45 HA1 GLY 45 163.946 8.898 -7.202 350 H GLY 46 HN GLY 46 165.398 9.243 -4.185 351 1HA GLY 46 HA2 GLY 46 168.045 9.167 -5.449 352 2HA GLY 46 HA1 GLY 46 167.753 10.364 -4.195 353 H VAL 47 HN VAL 47 169.699 8.228 -4.162 354 HA VAL 47 HA VAL 47 168.874 6.980 -1.655 355 HB VAL 47 HB VAL 47 169.991 5.405 -3.983 356 1HG1 VAL 47 HG11 VAL 47 169.033 4.137 -1.464 357 2HG1 VAL 47 HG12 VAL 47 170.648 4.841 -1.497 358 3HG1 VAL 47 HG13 VAL 47 170.219 3.564 -2.635 359 1HG2 VAL 47 HG21 VAL 47 167.725 4.151 -3.423 360 2HG2 VAL 47 HG22 VAL 47 167.781 5.526 -4.526 361 3HG2 VAL 47 HG23 VAL 47 167.268 5.757 -2.854 362 H GLU 48 HN GLU 48 170.392 7.411 -0.210 363 HA GLU 48 HA GLU 48 173.133 7.920 -1.128 364 1HB GLU 48 HB2 GLU 48 171.901 9.657 0.223 365 2HB GLU 48 HB1 GLU 48 171.951 8.541 1.580 366 1HG GLU 48 HG2 GLU 48 173.724 10.099 1.843 367 2HG GLU 48 HG1 GLU 48 174.431 8.543 1.409 368 H PHE 49 HN PHE 49 174.893 6.842 -0.285 369 HA PHE 49 HA PHE 49 174.293 4.287 0.974 370 1HB PHE 49 HB2 PHE 49 175.748 4.310 -0.997 371 2HB PHE 49 HB1 PHE 49 176.872 5.381 -0.167 372 HD1 PHE 49 HD1 PHE 49 175.181 2.107 0.431 373 HD2 PHE 49 HD2 PHE 49 178.746 4.413 0.715 374 HE1 PHE 49 HE1 PHE 49 176.369 0.151 1.332 375 HE2 PHE 49 HE2 PHE 49 179.941 2.461 1.615 376 HZ PHE 49 HZ PHE 49 178.752 0.328 1.924 377 H VAL 50 HN VAL 50 174.944 3.672 2.964 378 HA VAL 50 HA VAL 50 176.768 5.320 4.516 379 HB VAL 50 HB VAL 50 174.873 4.934 6.429 380 1HG1 VAL 50 HG11 VAL 50 176.200 6.958 5.975 381 2HG1 VAL 50 HG12 VAL 50 174.510 7.307 6.356 382 3HG1 VAL 50 HG13 VAL 50 175.072 7.378 4.684 383 1HG2 VAL 50 HG21 VAL 50 172.710 5.459 5.663 384 2HG2 VAL 50 HG22 VAL 50 173.300 4.205 4.572 385 3HG2 VAL 50 HG23 VAL 50 173.296 5.892 4.056 386 H GLU 51 HN GLU 51 177.827 4.167 6.125 387 HA GLU 51 HA GLU 51 177.742 1.337 5.896 388 1HB GLU 51 HB2 GLU 51 179.461 1.349 7.629 389 2HB GLU 51 HB1 GLU 51 179.814 2.553 6.398 390 1HG GLU 51 HG2 GLU 51 178.345 3.954 8.261 391 2HG GLU 51 HG1 GLU 51 179.338 2.876 9.240 392 H THR 52 HN THR 52 177.957 0.229 8.290 393 HA THR 52 HA THR 52 175.268 0.161 9.233 394 HB THR 52 HB THR 52 177.757 -1.106 10.383 395 HG1 THR 52 HG1 THR 52 175.873 -2.018 8.481 396 1HG2 THR 52 HG21 THR 52 174.849 -1.683 10.860 397 2HG2 THR 52 HG22 THR 52 176.082 -1.248 12.045 398 3HG2 THR 52 HG23 THR 52 176.146 -2.816 11.241 399 H ALA 53 HN ALA 53 174.738 0.316 11.583 400 HA ALA 53 HA ALA 53 175.783 2.825 12.635 401 1HB ALA 53 HB1 ALA 53 173.775 3.104 13.625 402 2HB ALA 53 HB2 ALA 53 173.670 1.413 14.121 403 3HB ALA 53 HB3 ALA 53 173.255 1.876 12.469 404 H ASP 54 HN ASP 54 175.181 2.369 15.365 405 HA ASP 54 HA ASP 54 177.497 0.749 16.106 406 1HB ASP 54 HB2 ASP 54 176.081 3.061 17.277 407 2HB ASP 54 HB1 ASP 54 176.657 1.871 18.440 408 H ASP 55 HN ASP 55 175.030 -0.496 15.254 409 HA ASP 55 HA ASP 55 173.998 -2.460 15.809 410 1HB ASP 55 HB2 ASP 55 174.672 -3.669 17.601 411 2HB ASP 55 HB1 ASP 55 175.891 -2.413 17.764 412 H TRP 56 HN TRP 56 171.865 -2.444 15.754 413 HA TRP 56 HA TRP 56 170.371 -1.044 17.822 414 1HB TRP 56 HB2 TRP 56 168.898 -0.087 15.882 415 2HB TRP 56 HB1 TRP 56 170.375 0.748 16.372 416 HD1 TRP 56 HD1 TRP 56 172.635 -0.167 14.775 417 HE1 TRP 56 HE1 TRP 56 172.684 -0.288 12.206 418 HE3 TRP 56 HE3 TRP 56 167.606 -0.306 13.871 419 HZ2 TRP 56 HZ2 TRP 56 170.838 -0.419 10.078 420 HZ3 TRP 56 HZ3 TRP 56 166.828 -0.432 11.539 421 HH2 TRP 56 HH2 TRP 56 168.411 -0.490 9.679 422 H GLU 57 HN GLU 57 170.435 -3.635 17.850 423 HA GLU 57 HA GLU 57 168.523 -4.946 16.184 424 1HB GLU 57 HB2 GLU 57 169.459 -5.906 18.885 425 2HB GLU 57 HB1 GLU 57 168.886 -6.873 17.533 426 1HG GLU 57 HG2 GLU 57 170.871 -6.737 16.413 427 2HG GLU 57 HG1 GLU 57 171.314 -5.202 17.152 428 H GLU 58 HN GLU 58 166.720 -3.442 16.438 429 HA GLU 58 HA GLU 58 164.970 -4.289 18.586 430 1HB GLU 58 HB2 GLU 58 166.269 -1.654 18.522 431 2HB GLU 58 HB1 GLU 58 164.527 -1.599 18.753 432 1HG GLU 58 HG2 GLU 58 164.621 -2.627 20.790 433 2HG GLU 58 HG1 GLU 58 166.115 -3.483 20.412 434 H GLU 59 HN GLU 59 165.402 -2.123 15.802 435 HA GLU 59 HA GLU 59 162.538 -2.191 15.274 436 1HB GLU 59 HB2 GLU 59 162.963 -0.521 13.584 437 2HB GLU 59 HB1 GLU 59 163.787 -0.063 15.068 438 1HG GLU 59 HG2 GLU 59 165.858 -1.134 14.058 439 2HG GLU 59 HG1 GLU 59 164.970 -1.144 12.536 440 H ILE 60 HN ILE 60 165.557 -3.084 13.611 441 HA ILE 60 HA ILE 60 164.117 -4.360 11.466 442 HB ILE 60 HB ILE 60 166.481 -5.243 10.888 443 1HG1 ILE 60 HG12 ILE 60 167.225 -3.022 12.805 444 2HG1 ILE 60 HG11 ILE 60 167.459 -4.744 13.120 445 1HG2 ILE 60 HG21 ILE 60 165.372 -3.527 9.616 446 2HG2 ILE 60 HG22 ILE 60 167.065 -3.086 9.842 447 3HG2 ILE 60 HG23 ILE 60 165.812 -2.308 10.811 448 1HD1 ILE 60 HD11 ILE 60 168.657 -3.394 10.728 449 2HD1 ILE 60 HD12 ILE 60 169.110 -4.925 11.478 450 3HD1 ILE 60 HD13 ILE 60 169.457 -3.403 12.299 451 H GLY 61 HN GLY 61 165.089 -5.286 14.587 452 1HA GLY 61 HA2 GLY 61 165.103 -7.301 15.687 453 2HA GLY 61 HA1 GLY 61 163.931 -7.808 14.479 454 H VAL 62 HN VAL 62 167.401 -7.493 15.101 455 HA VAL 62 HA VAL 62 168.116 -10.038 14.336 456 HB VAL 62 HB VAL 62 169.406 -9.055 12.132 457 1HG1 VAL 62 HG11 VAL 62 167.953 -11.183 12.668 458 2HG1 VAL 62 HG12 VAL 62 168.322 -10.709 11.009 459 3HG1 VAL 62 HG13 VAL 62 166.752 -10.316 11.709 460 1HG2 VAL 62 HG21 VAL 62 166.628 -8.206 11.537 461 2HG2 VAL 62 HG22 VAL 62 168.157 -7.650 10.858 462 3HG2 VAL 62 HG23 VAL 62 167.643 -7.085 12.446 463 H LEU 63 HN LEU 63 170.264 -10.412 14.781 464 HA LEU 63 HA LEU 63 171.658 -8.558 16.309 465 1HB LEU 63 HB2 LEU 63 172.154 -11.195 15.185 466 2HB LEU 63 HB1 LEU 63 173.617 -10.231 15.270 467 HG LEU 63 HG LEU 63 172.930 -9.795 17.726 468 1HD1 LEU 63 HD11 LEU 63 171.508 -11.351 18.766 469 2HD1 LEU 63 HD12 LEU 63 171.454 -12.382 17.336 470 3HD1 LEU 63 HD13 LEU 63 170.641 -10.817 17.326 471 1HD2 LEU 63 HD21 LEU 63 174.016 -12.350 16.599 472 2HD2 LEU 63 HD22 LEU 63 173.876 -12.110 18.341 473 3HD2 LEU 63 HD23 LEU 63 174.876 -11.021 17.379 474 H ILE 64 HN ILE 64 172.754 -6.785 15.806 475 HA ILE 64 HA ILE 64 173.483 -6.330 13.010 476 HB ILE 64 HB ILE 64 173.562 -4.309 15.251 477 1HG1 ILE 64 HG12 ILE 64 171.294 -4.953 15.192 478 2HG1 ILE 64 HG11 ILE 64 171.374 -3.524 14.168 479 1HG2 ILE 64 HG21 ILE 64 174.700 -3.248 13.620 480 2HG2 ILE 64 HG22 ILE 64 173.083 -2.923 12.997 481 3HG2 ILE 64 HG23 ILE 64 174.028 -4.260 12.342 482 1HD1 ILE 64 HD11 ILE 64 171.430 -6.341 13.119 483 2HD1 ILE 64 HD12 ILE 64 171.258 -4.851 12.193 484 3HD1 ILE 64 HD13 ILE 64 169.969 -5.369 13.279 485 H ASP 65 HN ASP 65 175.537 -5.786 12.354 486 HA ASP 65 HA ASP 65 177.703 -5.759 14.299 487 1HB ASP 65 HB2 ASP 65 177.710 -7.692 11.975 488 2HB ASP 65 HB1 ASP 65 178.969 -7.501 13.190 489 HA PRO 66 HA PRO 66 178.472 -2.541 11.209 490 1HB PRO 66 HB2 PRO 66 180.497 -1.351 12.620 491 2HB PRO 66 HB1 PRO 66 178.779 -1.011 12.878 492 1HG PRO 66 HG2 PRO 66 180.606 -2.823 14.408 493 2HG PRO 66 HG1 PRO 66 179.370 -1.704 15.015 494 1HD PRO 66 HD2 PRO 66 178.927 -4.352 14.842 495 2HD PRO 66 HD1 PRO 66 177.638 -3.166 14.549 496 H GLU 67 HN GLU 67 180.173 -2.061 9.781 497 HA GLU 67 HA GLU 67 182.129 -2.355 8.638 498 1HB GLU 67 HB2 GLU 67 183.013 -4.448 10.607 499 2HB GLU 67 HB1 GLU 67 184.004 -3.426 9.575 500 1HG GLU 67 HG2 GLU 67 182.802 -1.533 11.031 501 2HG GLU 67 HG1 GLU 67 182.774 -2.856 12.195 502 H GLU 68 HN GLU 68 179.946 -4.849 9.445 503 HA GLU 68 HA GLU 68 180.952 -6.457 7.197 504 1HB GLU 68 HB2 GLU 68 180.143 -8.426 8.211 505 2HB GLU 68 HB1 GLU 68 180.950 -7.525 9.491 506 1HG GLU 68 HG2 GLU 68 179.045 -7.172 10.642 507 2HG GLU 68 HG1 GLU 68 178.047 -7.088 9.188 508 H TYR 69 HN TYR 69 178.676 -4.230 7.825 509 HA TYR 69 HA TYR 69 176.923 -5.326 5.756 510 1HB TYR 69 HB2 TYR 69 175.825 -4.002 8.247 511 2HB TYR 69 HB1 TYR 69 174.889 -4.651 6.900 512 HD1 TYR 69 HD1 TYR 69 176.081 -5.272 10.137 513 HD2 TYR 69 HD2 TYR 69 175.241 -7.257 6.463 514 HE1 TYR 69 HE1 TYR 69 175.895 -7.411 11.334 515 HE2 TYR 69 HE2 TYR 69 175.064 -9.394 7.654 516 HH TYR 69 HH TYR 69 174.535 -10.152 10.009 517 H ALA 70 HN ALA 70 175.978 -3.845 4.407 518 HA ALA 70 HA ALA 70 176.936 -1.072 4.692 519 1HB ALA 70 HB1 ALA 70 177.461 -1.034 2.509 520 2HB ALA 70 HB2 ALA 70 175.987 -1.882 2.043 521 3HB ALA 70 HB3 ALA 70 177.386 -2.793 2.611 522 H GLU 71 HN GLU 71 175.398 0.371 5.187 523 HA GLU 71 HA GLU 71 172.612 -0.387 4.844 524 1HB GLU 71 HB2 GLU 71 172.952 0.418 6.998 525 2HB GLU 71 HB1 GLU 71 174.064 1.668 6.469 526 1HG GLU 71 HG2 GLU 71 172.120 2.870 5.461 527 2HG GLU 71 HG1 GLU 71 171.063 1.668 6.201 528 H VAL 72 HN VAL 72 171.265 0.453 3.406 529 HA VAL 72 HA VAL 72 172.167 2.769 1.825 530 HB VAL 72 HB VAL 72 170.918 0.203 0.976 531 1HG1 VAL 72 HG11 VAL 72 170.101 2.874 -0.087 532 2HG1 VAL 72 HG12 VAL 72 169.125 1.433 0.197 533 3HG1 VAL 72 HG13 VAL 72 170.222 1.497 -1.182 534 1HG2 VAL 72 HG21 VAL 72 173.197 0.517 0.436 535 2HG2 VAL 72 HG22 VAL 72 172.901 2.147 -0.171 536 3HG2 VAL 72 HG23 VAL 72 172.299 0.750 -1.065 537 H TRP 73 HN TRP 73 170.702 4.408 1.476 538 HA TRP 73 HA TRP 73 168.153 4.149 2.935 539 1HB TRP 73 HB2 TRP 73 170.149 6.364 2.799 540 2HB TRP 73 HB1 TRP 73 168.448 6.777 2.995 541 HD1 TRP 73 HD1 TRP 73 169.744 3.620 4.664 542 HE1 TRP 73 HE1 TRP 73 169.748 3.959 7.212 543 HE3 TRP 73 HE3 TRP 73 168.693 8.620 4.818 544 HZ2 TRP 73 HZ2 TRP 73 169.359 6.060 9.041 545 HZ3 TRP 73 HZ3 TRP 73 168.527 9.720 7.013 546 HH2 TRP 73 HH2 TRP 73 168.854 8.464 9.083 547 H VAL 74 HN VAL 74 166.300 4.713 1.958 548 HA VAL 74 HA VAL 74 166.476 5.923 -0.718 549 HB VAL 74 HB VAL 74 164.512 3.784 0.116 550 1HG1 VAL 74 HG11 VAL 74 163.293 4.383 -1.641 551 2HG1 VAL 74 HG12 VAL 74 164.694 4.243 -2.705 552 3HG1 VAL 74 HG13 VAL 74 164.364 5.768 -1.876 553 1HG2 VAL 74 HG21 VAL 74 166.270 2.433 -0.291 554 2HG2 VAL 74 HG22 VAL 74 167.151 3.678 -1.177 555 3HG2 VAL 74 HG23 VAL 74 165.883 2.754 -1.982 556 H GLY 75 HN GLY 75 165.843 7.927 -0.297 557 1HA GLY 75 HA2 GLY 75 163.342 8.309 1.233 558 2HA GLY 75 HA1 GLY 75 164.638 9.491 1.156 559 H LEU 76 HN LEU 76 163.454 11.169 0.386 560 HA LEU 76 HA LEU 76 162.643 10.946 -2.426 561 1HB LEU 76 HB2 LEU 76 160.751 11.066 -0.365 562 2HB LEU 76 HB1 LEU 76 160.839 12.709 -0.970 563 HG LEU 76 HG LEU 76 160.173 12.030 -3.156 564 1HD1 LEU 76 HD11 LEU 76 159.587 9.293 -2.953 565 2HD1 LEU 76 HD12 LEU 76 161.234 9.492 -2.357 566 3HD1 LEU 76 HD13 LEU 76 160.806 10.066 -3.969 567 1HD2 LEU 76 HD21 LEU 76 158.609 11.278 -0.817 568 2HD2 LEU 76 HD22 LEU 76 158.127 10.422 -2.282 569 3HD2 LEU 76 HD23 LEU 76 158.138 12.186 -2.254 570 H VAL 77 HN VAL 77 164.640 12.030 -2.775 571 HA VAL 77 HA VAL 77 165.276 14.537 -1.634 572 HB VAL 77 HB VAL 77 166.809 14.731 -3.694 573 1HG1 VAL 77 HG11 VAL 77 168.112 12.609 -2.672 574 2HG1 VAL 77 HG12 VAL 77 166.931 12.896 -1.394 575 3HG1 VAL 77 HG13 VAL 77 168.031 14.184 -1.883 576 1HG2 VAL 77 HG21 VAL 77 165.330 12.904 -4.851 577 2HG2 VAL 77 HG22 VAL 77 166.383 11.792 -3.976 578 3HG2 VAL 77 HG23 VAL 77 167.072 12.946 -5.118 579 H ASN 78 HN ASN 78 165.713 16.479 -3.037 580 HA ASN 78 HA ASN 78 163.336 17.034 -4.686 581 1HB ASN 78 HB2 ASN 78 164.915 18.852 -2.854 582 2HB ASN 78 HB1 ASN 78 163.696 19.436 -3.982 583 1HD2 ASN 78 HD21 ASN 78 164.176 18.759 -0.874 584 2HD2 ASN 78 HD22 ASN 78 162.579 18.303 -0.397 585 H GLU 79 HN GLU 79 164.166 19.487 -5.726 586 HA GLU 79 HA GLU 79 165.697 18.675 -7.933 587 1HB GLU 79 HB2 GLU 79 164.651 21.271 -6.916 588 2HB GLU 79 HB1 GLU 79 165.893 21.316 -8.160 589 1HG GLU 79 HG2 GLU 79 163.627 19.493 -8.645 590 2HG GLU 79 HG1 GLU 79 163.271 21.219 -8.682 591 H GLN 80 HN GLN 80 166.683 19.659 -4.810 592 HA GLN 80 HA GLN 80 169.273 20.605 -5.680 593 1HB GLN 80 HB2 GLN 80 169.575 20.522 -3.035 594 2HB GLN 80 HB1 GLN 80 168.729 21.831 -3.850 595 1HG GLN 80 HG2 GLN 80 166.643 21.082 -3.183 596 2HG GLN 80 HG1 GLN 80 167.225 19.455 -2.842 597 1HE2 GLN 80 HE21 GLN 80 166.743 22.622 -1.632 598 2HE2 GLN 80 HE22 GLN 80 167.292 22.335 -0.019 599 H ASP 81 HN ASP 81 168.767 18.417 -2.947 600 HA ASP 81 HA ASP 81 169.608 16.021 -3.988 601 1HB ASP 81 HB2 ASP 81 171.745 17.888 -4.065 602 2HB ASP 81 HB1 ASP 81 172.126 16.725 -2.801 603 H GLU 82 HN GLU 82 167.917 16.729 -1.971 604 HA GLU 82 HA GLU 82 169.082 15.283 0.271 605 1HB GLU 82 HB2 GLU 82 168.089 18.109 0.408 606 2HB GLU 82 HB1 GLU 82 167.942 17.057 1.809 607 1HG GLU 82 HG2 GLU 82 170.409 16.648 1.641 608 2HG GLU 82 HG1 GLU 82 170.463 17.912 0.413 609 H MET 83 HN MET 83 167.698 13.717 0.787 610 HA MET 83 HA MET 83 165.022 13.716 -0.188 611 1HB MET 83 HB2 MET 83 164.971 11.658 1.550 612 2HB MET 83 HB1 MET 83 165.600 11.540 -0.083 613 1HG MET 83 HG2 MET 83 167.482 12.305 2.084 614 2HG MET 83 HG1 MET 83 166.927 10.639 2.006 615 1HE MET 83 HE1 MET 83 169.069 8.986 0.543 616 2HE MET 83 HE2 MET 83 168.177 9.102 -0.974 617 3HE MET 83 HE3 MET 83 167.308 9.075 0.561 618 H ASP 84 HN ASP 84 166.487 14.704 2.787 619 HA ASP 84 HA ASP 84 165.650 15.531 4.731 620 1HB ASP 84 HB2 ASP 84 163.973 16.540 2.570 621 2HB ASP 84 HB1 ASP 84 163.128 16.506 4.114 622 H ASP 85 HN ASP 85 164.498 12.770 3.509 623 HA ASP 85 HA ASP 85 163.341 11.831 5.845 624 1HB ASP 85 HB2 ASP 85 161.479 13.184 3.994 625 2HB ASP 85 HB1 ASP 85 160.981 11.559 4.484 626 H VAL 86 HN VAL 86 163.779 9.747 5.728 627 HA VAL 86 HA VAL 86 164.128 8.494 3.119 628 HB VAL 86 HB VAL 86 165.977 7.972 4.413 629 1HG1 VAL 86 HG11 VAL 86 164.102 7.684 6.743 630 2HG1 VAL 86 HG12 VAL 86 165.365 8.891 6.499 631 3HG1 VAL 86 HG13 VAL 86 165.800 7.207 6.802 632 1HG2 VAL 86 HG21 VAL 86 164.851 5.926 3.500 633 2HG2 VAL 86 HG22 VAL 86 164.189 5.652 5.112 634 3HG2 VAL 86 HG23 VAL 86 165.935 5.636 4.861 635 H PHE 87 HN PHE 87 162.999 6.747 2.398 636 HA PHE 87 HA PHE 87 160.419 6.283 3.659 637 1HB PHE 87 HB2 PHE 87 161.591 5.877 0.966 638 2HB PHE 87 HB1 PHE 87 160.371 4.710 1.461 639 HD1 PHE 87 HD1 PHE 87 160.673 7.358 -0.519 640 HD2 PHE 87 HD2 PHE 87 158.433 6.214 2.911 641 HE1 PHE 87 HE1 PHE 87 158.903 8.945 -1.150 642 HE2 PHE 87 HE2 PHE 87 156.657 7.794 2.284 643 HZ PHE 87 HZ PHE 87 156.894 9.168 0.249 644 H ALA 88 HN ALA 88 163.401 4.607 2.922 645 HA ALA 88 HA ALA 88 162.912 2.628 4.922 646 1HB ALA 88 HB1 ALA 88 162.843 0.669 3.521 647 2HB ALA 88 HB2 ALA 88 162.997 1.655 2.066 648 3HB ALA 88 HB3 ALA 88 161.535 1.753 3.048 649 H LYS 89 HN LYS 89 164.763 1.097 5.108 650 HA LYS 89 HA LYS 89 167.186 2.102 3.787 651 1HB LYS 89 HB2 LYS 89 167.371 1.098 6.594 652 2HB LYS 89 HB1 LYS 89 168.385 2.262 5.756 653 1HG LYS 89 HG2 LYS 89 166.842 4.005 6.086 654 2HG LYS 89 HG1 LYS 89 165.555 2.886 6.543 655 1HD LYS 89 HD2 LYS 89 167.192 2.238 8.469 656 2HD LYS 89 HD1 LYS 89 167.922 3.806 8.120 657 1HE LYS 89 HE2 LYS 89 165.175 4.285 8.200 658 2HE LYS 89 HE1 LYS 89 165.484 3.180 9.539 659 1HZ LYS 89 HZ1 LYS 89 166.683 4.715 10.646 660 2HZ LYS 89 HZ2 LYS 89 165.770 5.805 9.729 661 3HZ LYS 89 HZ3 LYS 89 167.340 5.401 9.246 662 H PHE 90 HN PHE 90 168.791 0.493 3.390 663 HA PHE 90 HA PHE 90 167.885 -2.266 3.885 664 1HB PHE 90 HB2 PHE 90 169.149 -1.252 1.332 665 2HB PHE 90 HB1 PHE 90 168.644 -2.907 1.655 666 HD1 PHE 90 HD1 PHE 90 167.192 0.533 1.752 667 HD2 PHE 90 HD2 PHE 90 166.643 -3.571 0.769 668 HE1 PHE 90 HE1 PHE 90 164.952 1.047 0.879 669 HE2 PHE 90 HE2 PHE 90 164.403 -3.064 -0.113 670 HZ PHE 90 HZ PHE 90 163.556 -0.754 -0.056 671 H LEU 91 HN LEU 91 169.387 -3.730 4.470 672 HA LEU 91 HA LEU 91 172.181 -2.810 4.618 673 1HB LEU 91 HB2 LEU 91 171.005 -4.809 6.520 674 2HB LEU 91 HB1 LEU 91 172.461 -3.851 6.700 675 HG LEU 91 HG LEU 91 169.787 -2.502 6.612 676 1HD1 LEU 91 HD11 LEU 91 169.829 -4.408 8.295 677 2HD1 LEU 91 HD12 LEU 91 169.418 -2.806 8.900 678 3HD1 LEU 91 HD13 LEU 91 171.035 -3.462 9.165 679 1HD2 LEU 91 HD21 LEU 91 171.976 -1.644 8.391 680 2HD2 LEU 91 HD22 LEU 91 170.896 -0.690 7.375 681 3HD2 LEU 91 HD23 LEU 91 172.286 -1.506 6.660 682 H ILE 92 HN ILE 92 173.709 -4.131 3.782 683 HA ILE 92 HA ILE 92 172.877 -6.834 2.960 684 HB ILE 92 HB ILE 92 174.932 -5.685 1.247 685 1HG1 ILE 92 HG12 ILE 92 173.477 -3.656 1.784 686 2HG1 ILE 92 HG11 ILE 92 173.691 -4.054 0.085 687 1HG2 ILE 92 HG21 ILE 92 172.608 -7.433 1.083 688 2HG2 ILE 92 HG22 ILE 92 174.135 -7.483 0.201 689 3HG2 ILE 92 HG23 ILE 92 172.837 -6.419 -0.341 690 1HD1 ILE 92 HD11 ILE 92 171.297 -3.691 1.479 691 2HD1 ILE 92 HD12 ILE 92 171.399 -5.410 1.101 692 3HD1 ILE 92 HD13 ILE 92 171.513 -4.215 -0.191 693 H SER 93 HN SER 93 174.374 -8.455 3.159 694 HA SER 93 HA SER 93 176.509 -8.013 5.013 695 1HB SER 93 HB2 SER 93 175.400 -10.391 3.570 696 2HB SER 93 HB1 SER 93 176.987 -10.513 4.328 697 HG SER 93 HG SER 93 175.972 -10.771 6.136 698 H HIS 94 HN HIS 94 178.737 -8.245 4.670 699 HA HIS 94 HA HIS 94 179.587 -7.549 1.970 700 1HB HIS 94 HB2 HIS 94 180.960 -7.494 4.655 701 2HB HIS 94 HB1 HIS 94 181.842 -7.239 3.149 702 HD1 HIS 94 HD1 HIS 94 182.077 -4.868 2.534 703 HD2 HIS 94 HD2 HIS 94 178.677 -5.512 4.829 704 HE1 HIS 94 HE1 HIS 94 181.049 -2.599 2.862 705 HE2 HIS 94 HE2 HIS 94 178.952 -3.023 4.191 706 H ARG 95 HN ARG 95 178.779 -10.337 2.848 707 HA ARG 95 HA ARG 95 181.292 -11.777 2.452 708 1HB ARG 95 HB2 ARG 95 178.802 -12.334 3.813 709 2HB ARG 95 HB1 ARG 95 179.192 -13.626 2.686 710 1HG ARG 95 HG2 ARG 95 181.481 -13.692 3.739 711 2HG ARG 95 HG1 ARG 95 180.841 -12.621 4.987 712 1HD ARG 95 HD2 ARG 95 180.280 -14.520 6.039 713 2HD ARG 95 HD1 ARG 95 178.934 -14.563 4.901 714 HE ARG 95 HE ARG 95 180.907 -15.831 3.560 715 1HH1 ARG 95 HH11 ARG 95 179.558 -16.240 6.753 716 2HH1 ARG 95 HH12 ARG 95 179.880 -17.941 6.807 717 1HH2 ARG 95 HH21 ARG 95 181.331 -18.068 3.630 718 2HH2 ARG 95 HH22 ARG 95 180.886 -18.979 5.034 719 H GLU 96 HN GLU 96 181.499 -13.397 0.831 720 HA GLU 96 HA GLU 96 180.143 -12.677 -1.632 721 1HB GLU 96 HB2 GLU 96 182.708 -13.356 -1.134 722 2HB GLU 96 HB1 GLU 96 182.071 -14.924 -1.609 723 1HG GLU 96 HG2 GLU 96 181.071 -13.461 -3.596 724 2HG GLU 96 HG1 GLU 96 182.479 -12.473 -3.209 725 H GLU 97 HN GLU 97 180.461 -15.475 0.503 726 HA GLU 97 HA GLU 97 178.452 -16.895 -1.098 727 1HB GLU 97 HB2 GLU 97 180.763 -17.727 0.466 728 2HB GLU 97 HB1 GLU 97 179.317 -18.632 0.889 729 1HG GLU 97 HG2 GLU 97 179.048 -18.935 -1.662 730 2HG GLU 97 HG1 GLU 97 180.751 -18.483 -1.726 731 H ASP 98 HN ASP 98 176.432 -16.655 -0.452 732 HA ASP 98 HA ASP 98 174.576 -16.537 0.858 733 1HB ASP 98 HB2 ASP 98 176.462 -18.113 2.426 734 2HB ASP 98 HB1 ASP 98 175.338 -17.219 3.444 735 H ARG 99 HN ARG 99 174.135 -14.404 0.925 736 HA ARG 99 HA ARG 99 175.287 -12.870 3.161 737 1HB ARG 99 HB2 ARG 99 174.953 -10.836 1.678 738 2HB ARG 99 HB1 ARG 99 176.261 -11.927 1.221 739 1HG ARG 99 HG2 ARG 99 175.391 -12.151 -0.799 740 2HG ARG 99 HG1 ARG 99 173.890 -12.767 -0.107 741 1HD ARG 99 HD2 ARG 99 173.206 -10.376 0.269 742 2HD ARG 99 HD1 ARG 99 174.614 -9.901 -0.684 743 HE ARG 99 HE ARG 99 173.343 -11.629 -2.317 744 1HH1 ARG 99 HH11 ARG 99 172.256 -8.829 -0.540 745 2HH1 ARG 99 HH12 ARG 99 171.027 -8.421 -1.690 746 1HH2 ARG 99 HH21 ARG 99 171.726 -11.094 -3.830 747 2HH2 ARG 99 HH22 ARG 99 170.726 -9.707 -3.557 748 H GLU 100 HN GLU 100 173.849 -12.067 4.550 749 HA GLU 100 HA GLU 100 171.019 -12.330 3.942 750 1HB GLU 100 HB2 GLU 100 172.441 -11.540 6.492 751 2HB GLU 100 HB1 GLU 100 170.704 -11.763 6.336 752 1HG GLU 100 HG2 GLU 100 172.722 -13.922 5.785 753 2HG GLU 100 HG1 GLU 100 171.931 -13.685 7.342 754 H PHE 101 HN PHE 101 169.510 -10.603 4.346 755 HA PHE 101 HA PHE 101 170.566 -7.898 4.440 756 1HB PHE 101 HB2 PHE 101 169.545 -7.165 2.390 757 2HB PHE 101 HB1 PHE 101 170.562 -8.553 2.021 758 HD1 PHE 101 HD1 PHE 101 169.684 -10.371 0.873 759 HD2 PHE 101 HD2 PHE 101 167.041 -7.599 2.727 760 HE1 PHE 101 HE1 PHE 101 167.769 -11.486 -0.198 761 HE2 PHE 101 HE2 PHE 101 165.123 -8.710 1.663 762 HZ PHE 101 HZ PHE 101 165.484 -10.654 0.198 763 H HIS 102 HN HIS 102 169.093 -6.376 5.160 764 HA HIS 102 HA HIS 102 166.350 -7.259 5.619 765 1HB HIS 102 HB2 HIS 102 166.833 -5.844 7.929 766 2HB HIS 102 HB1 HIS 102 166.734 -7.591 7.804 767 HD1 HIS 102 HD1 HIS 102 168.485 -5.754 9.810 768 HD2 HIS 102 HD2 HIS 102 169.866 -7.999 6.600 769 HE1 HIS 102 HE1 HIS 102 170.900 -6.239 10.311 770 HE2 HIS 102 HE2 HIS 102 171.735 -7.515 8.310 771 H VAL 103 HN VAL 103 164.889 -5.453 6.146 772 HA VAL 103 HA VAL 103 165.889 -2.801 5.470 773 HB VAL 103 HB VAL 103 165.385 -3.796 3.292 774 1HG1 VAL 103 HG11 VAL 103 163.643 -5.365 4.109 775 2HG1 VAL 103 HG12 VAL 103 163.164 -4.466 2.669 776 3HG1 VAL 103 HG13 VAL 103 162.535 -3.999 4.251 777 1HG2 VAL 103 HG21 VAL 103 164.128 -1.401 4.351 778 2HG2 VAL 103 HG22 VAL 103 163.277 -2.045 2.950 779 3HG2 VAL 103 HG23 VAL 103 164.992 -1.649 2.836 780 H ILE 104 HN ILE 104 164.687 -1.125 6.232 781 HA ILE 104 HA ILE 104 162.324 -1.848 7.836 782 HB ILE 104 HB ILE 104 162.775 0.585 8.755 783 1HG1 ILE 104 HG12 ILE 104 164.747 0.783 7.099 784 2HG1 ILE 104 HG11 ILE 104 164.999 1.319 8.755 785 1HG2 ILE 104 HG21 ILE 104 164.184 -1.936 9.562 786 2HG2 ILE 104 HG22 ILE 104 162.670 -1.280 10.184 787 3HG2 ILE 104 HG23 ILE 104 164.196 -0.468 10.540 788 1HD1 ILE 104 HD11 ILE 104 166.523 -0.505 7.280 789 2HD1 ILE 104 HD12 ILE 104 165.703 -1.442 8.528 790 3HD1 ILE 104 HD13 ILE 104 166.702 -0.061 8.976 791 H TRP 105 HN TRP 105 160.393 -0.984 7.406 792 HA TRP 105 HA TRP 105 160.254 1.066 5.288 793 1HB TRP 105 HB2 TRP 105 158.065 -0.910 5.928 794 2HB TRP 105 HB1 TRP 105 158.203 0.129 4.516 795 HD1 TRP 105 HD1 TRP 105 159.140 -3.277 5.785 796 HE1 TRP 105 HE1 TRP 105 160.434 -4.554 3.964 797 HE3 TRP 105 HE3 TRP 105 160.002 0.578 2.539 798 HZ2 TRP 105 HZ2 TRP 105 161.649 -4.000 1.474 799 HZ3 TRP 105 HZ3 TRP 105 161.213 0.124 0.462 800 HH2 TRP 105 HH2 TRP 105 162.034 -2.119 -0.061 801 H LYS 106 HN LYS 106 158.676 2.700 5.475 802 HA LYS 106 HA LYS 106 158.205 3.567 8.154 803 1HB LYS 106 HB2 LYS 106 158.453 4.854 5.781 804 2HB LYS 106 HB1 LYS 106 156.705 4.870 5.967 805 1HG LYS 106 HG2 LYS 106 156.959 5.929 8.165 806 2HG LYS 106 HG1 LYS 106 158.709 5.940 7.944 807 1HD LYS 106 HD2 LYS 106 158.416 7.973 7.055 808 2HD LYS 106 HD1 LYS 106 157.802 7.122 5.636 809 1HE LYS 106 HE2 LYS 106 155.615 7.228 7.313 810 2HE LYS 106 HE1 LYS 106 156.402 8.784 7.576 811 1HZ LYS 106 HZ1 LYS 106 155.020 9.202 5.799 812 2HZ LYS 106 HZ2 LYS 106 155.259 7.682 5.096 813 3HZ LYS 106 HZ3 LYS 106 156.478 8.852 5.013 814 H LYS 107 HN LYS 107 156.159 3.993 9.133 815 HA LYS 107 HA LYS 107 153.979 2.293 8.110 816 1HB LYS 107 HB2 LYS 107 153.350 1.800 10.412 817 2HB LYS 107 HB1 LYS 107 155.017 1.322 10.117 818 1HG LYS 107 HG2 LYS 107 155.631 3.612 11.108 819 2HG LYS 107 HG1 LYS 107 153.977 3.622 11.724 820 1HD LYS 107 HD2 LYS 107 154.359 1.603 12.959 821 2HD LYS 107 HD1 LYS 107 155.944 1.390 12.211 822 1HE LYS 107 HE2 LYS 107 155.510 3.951 13.606 823 2HE LYS 107 HE1 LYS 107 155.557 2.518 14.632 824 1HZ LYS 107 HZ1 LYS 107 157.682 3.770 13.098 825 2HZ LYS 107 HZ2 LYS 107 157.672 2.079 13.088 826 3HZ LYS 107 HZ3 LYS 107 157.756 2.915 14.556 Start of MODEL 18 1 H MET 1 HT1 MET 1 193.122 -3.682 9.844 2 HA MET 1 HA MET 1 194.822 -5.161 10.210 3 1HB MET 1 HB2 MET 1 195.267 -6.168 12.363 4 2HB MET 1 HB1 MET 1 195.178 -4.425 12.563 5 1HG MET 1 HG2 MET 1 192.616 -5.105 13.062 6 2HG MET 1 HG1 MET 1 193.454 -6.544 13.639 7 1HE MET 1 HE1 MET 1 194.504 -6.828 15.695 8 2HE MET 1 HE2 MET 1 195.108 -5.601 16.808 9 3HE MET 1 HE3 MET 1 195.958 -5.913 15.295 10 H THR 2 HN THR 2 194.426 -7.638 11.417 11 HA THR 2 HA THR 2 193.374 -9.614 11.037 12 HB THR 2 HB THR 2 191.530 -7.970 12.268 13 HG1 THR 2 HG1 THR 2 192.060 -10.256 12.594 14 1HG2 THR 2 HG21 THR 2 190.467 -7.716 9.919 15 2HG2 THR 2 HG22 THR 2 189.443 -8.073 11.309 16 3HG2 THR 2 HG23 THR 2 189.898 -9.362 10.195 17 H THR 3 HN THR 3 191.400 -10.531 9.501 18 HA THR 3 HA THR 3 191.690 -9.219 6.894 19 HB THR 3 HB THR 3 193.345 -10.965 6.866 20 HG1 THR 3 HG1 THR 3 192.620 -12.094 5.110 21 1HG2 THR 3 HG21 THR 3 193.159 -12.798 8.077 22 2HG2 THR 3 HG22 THR 3 191.877 -13.353 7.001 23 3HG2 THR 3 HG23 THR 3 191.476 -12.424 8.446 24 H GLU 4 HN GLU 4 189.597 -8.543 6.751 25 HA GLU 4 HA GLU 4 187.471 -10.530 7.129 26 1HB GLU 4 HB2 GLU 4 185.938 -8.600 7.161 27 2HB GLU 4 HB1 GLU 4 187.186 -8.472 8.392 28 1HG GLU 4 HG2 GLU 4 188.253 -7.175 6.181 29 2HG GLU 4 HG1 GLU 4 186.556 -6.697 6.207 30 H ILE 5 HN ILE 5 185.476 -9.680 5.584 31 HA ILE 5 HA ILE 5 186.356 -10.423 2.941 32 HB ILE 5 HB ILE 5 183.571 -9.469 3.393 33 1HG1 ILE 5 HG12 ILE 5 183.397 -12.124 4.128 34 2HG1 ILE 5 HG11 ILE 5 184.835 -11.587 4.990 35 1HG2 ILE 5 HG21 ILE 5 185.009 -11.396 1.683 36 2HG2 ILE 5 HG22 ILE 5 183.674 -10.309 1.302 37 3HG2 ILE 5 HG23 ILE 5 183.362 -11.826 2.145 38 1HD1 ILE 5 HD11 ILE 5 183.053 -11.255 6.465 39 2HD1 ILE 5 HD12 ILE 5 182.032 -10.554 5.210 40 3HD1 ILE 5 HD13 ILE 5 183.420 -9.654 5.824 41 H LYS 6 HN LYS 6 185.412 -9.188 1.025 42 HA LYS 6 HA LYS 6 186.249 -6.414 1.284 43 1HB LYS 6 HB2 LYS 6 186.170 -8.394 -0.839 44 2HB LYS 6 HB1 LYS 6 185.492 -6.860 -1.365 45 1HG LYS 6 HG2 LYS 6 187.951 -6.478 0.106 46 2HG LYS 6 HG1 LYS 6 188.174 -7.559 -1.271 47 1HD LYS 6 HD2 LYS 6 187.147 -5.887 -2.742 48 2HD LYS 6 HD1 LYS 6 186.940 -4.806 -1.362 49 1HE LYS 6 HE2 LYS 6 189.081 -4.150 -1.413 50 2HE LYS 6 HE1 LYS 6 189.672 -5.791 -1.673 51 1HZ LYS 6 HZ1 LYS 6 190.209 -4.941 -3.672 52 2HZ LYS 6 HZ2 LYS 6 189.044 -3.717 -3.610 53 3HZ LYS 6 HZ3 LYS 6 188.596 -5.290 -4.044 54 H LYS 7 HN LYS 7 184.836 -5.127 -0.647 55 HA LYS 7 HA LYS 7 182.031 -5.344 0.221 56 1HB LYS 7 HB2 LYS 7 183.640 -2.814 -0.157 57 2HB LYS 7 HB1 LYS 7 181.905 -2.861 0.124 58 1HG LYS 7 HG2 LYS 7 182.348 -4.008 2.286 59 2HG LYS 7 HG1 LYS 7 184.076 -3.756 2.007 60 1HD LYS 7 HD2 LYS 7 182.558 -1.309 1.658 61 2HD LYS 7 HD1 LYS 7 182.316 -2.006 3.261 62 1HE LYS 7 HE2 LYS 7 184.872 -2.233 3.328 63 2HE LYS 7 HE1 LYS 7 184.872 -1.119 1.961 64 1HZ LYS 7 HZ1 LYS 7 183.271 -0.314 4.245 65 2HZ LYS 7 HZ2 LYS 7 184.290 0.607 3.258 66 3HZ LYS 7 HZ3 LYS 7 184.944 -0.335 4.501 67 H LEU 8 HN LEU 8 180.488 -5.078 -1.314 68 HA LEU 8 HA LEU 8 181.164 -5.507 -4.015 69 1HB LEU 8 HB2 LEU 8 178.742 -5.234 -2.434 70 2HB LEU 8 HB1 LEU 8 178.567 -4.498 -4.012 71 HG LEU 8 HG LEU 8 179.375 -7.361 -3.497 72 1HD1 LEU 8 HD11 LEU 8 177.086 -7.160 -2.966 73 2HD1 LEU 8 HD12 LEU 8 177.143 -7.782 -4.615 74 3HD1 LEU 8 HD13 LEU 8 176.785 -6.079 -4.327 75 1HD2 LEU 8 HD21 LEU 8 178.769 -7.394 -6.045 76 2HD2 LEU 8 HD22 LEU 8 180.378 -6.904 -5.514 77 3HD2 LEU 8 HD23 LEU 8 179.184 -5.682 -5.954 78 H ASP 9 HN ASP 9 180.917 -4.157 -5.834 79 HA ASP 9 HA ASP 9 181.893 -1.543 -5.538 80 1HB ASP 9 HB2 ASP 9 180.851 -3.188 -7.775 81 2HB ASP 9 HB1 ASP 9 180.827 -1.444 -8.015 82 HA PRO 10 HA PRO 10 178.459 0.955 -4.339 83 1HB PRO 10 HB2 PRO 10 179.381 2.718 -6.573 84 2HB PRO 10 HB1 PRO 10 178.984 3.136 -4.897 85 1HG PRO 10 HG2 PRO 10 181.521 2.941 -5.678 86 2HG PRO 10 HG1 PRO 10 181.012 2.353 -4.084 87 1HD PRO 10 HD2 PRO 10 181.716 0.818 -6.534 88 2HD PRO 10 HD1 PRO 10 181.930 0.384 -4.827 89 H ASP 11 HN ASP 11 178.991 0.833 -7.867 90 HA ASP 11 HA ASP 11 176.243 1.253 -8.486 91 1HB ASP 11 HB2 ASP 11 178.347 1.684 -9.947 92 2HB ASP 11 HB1 ASP 11 178.194 -0.015 -10.384 93 H THR 12 HN THR 12 178.099 -1.540 -7.673 94 HA THR 12 HA THR 12 176.308 -3.417 -8.923 95 HB THR 12 HB THR 12 178.446 -3.942 -6.854 96 HG1 THR 12 HG1 THR 12 179.700 -4.477 -8.737 97 1HG2 THR 12 HG21 THR 12 177.080 -5.869 -7.047 98 2HG2 THR 12 HG22 THR 12 178.544 -6.169 -7.985 99 3HG2 THR 12 HG23 THR 12 177.042 -5.743 -8.805 100 H ALA 13 HN ALA 13 177.171 -2.836 -5.487 101 HA ALA 13 HA ALA 13 175.132 -4.378 -4.394 102 1HB ALA 13 HB1 ALA 13 175.910 -3.674 -2.399 103 2HB ALA 13 HB2 ALA 13 175.912 -1.976 -2.876 104 3HB ALA 13 HB3 ALA 13 177.229 -3.036 -3.380 105 H ILE 14 HN ILE 14 175.062 -1.102 -5.622 106 HA ILE 14 HA ILE 14 172.542 -0.442 -4.420 107 HB ILE 14 HB ILE 14 174.075 0.886 -6.659 108 1HG1 ILE 14 HG12 ILE 14 173.636 1.800 -3.813 109 2HG1 ILE 14 HG11 ILE 14 175.051 0.887 -4.326 110 1HG2 ILE 14 HG21 ILE 14 172.562 2.801 -6.332 111 2HG2 ILE 14 HG22 ILE 14 171.598 1.830 -5.219 112 3HG2 ILE 14 HG23 ILE 14 171.712 1.371 -6.918 113 1HD1 ILE 14 HD11 ILE 14 174.707 3.652 -4.350 114 2HD1 ILE 14 HD12 ILE 14 174.644 3.154 -6.041 115 3HD1 ILE 14 HD13 ILE 14 176.039 2.730 -5.048 116 H ASP 15 HN ASP 15 173.506 -0.972 -7.817 117 HA ASP 15 HA ASP 15 171.117 -0.941 -9.083 118 1HB ASP 15 HB2 ASP 15 173.381 -1.415 -10.099 119 2HB ASP 15 HB1 ASP 15 173.167 -3.094 -9.614 120 H ILE 16 HN ILE 16 172.454 -3.788 -7.408 121 HA ILE 16 HA ILE 16 170.270 -5.486 -7.947 122 HB ILE 16 HB ILE 16 171.102 -6.724 -5.839 123 1HG1 ILE 16 HG12 ILE 16 173.738 -5.539 -6.072 124 2HG1 ILE 16 HG11 ILE 16 172.553 -4.348 -5.530 125 1HG2 ILE 16 HG21 ILE 16 172.414 -7.956 -7.199 126 2HG2 ILE 16 HG22 ILE 16 173.328 -6.559 -7.766 127 3HG2 ILE 16 HG23 ILE 16 171.735 -6.903 -8.439 128 1HD1 ILE 16 HD11 ILE 16 173.567 -6.776 -4.181 129 2HD1 ILE 16 HD12 ILE 16 171.886 -6.324 -3.898 130 3HD1 ILE 16 HD13 ILE 16 173.181 -5.185 -3.524 131 H ALA 17 HN ALA 17 170.944 -3.278 -5.261 132 HA ALA 17 HA ALA 17 168.747 -4.039 -3.653 133 1HB ALA 17 HB1 ALA 17 170.573 -1.689 -3.762 134 2HB ALA 17 HB2 ALA 17 170.270 -2.825 -2.447 135 3HB ALA 17 HB3 ALA 17 169.092 -1.565 -2.813 136 H TYR 18 HN TYR 18 169.174 -1.570 -6.139 137 HA TYR 18 HA TYR 18 166.771 -0.215 -5.956 138 1HB TYR 18 HB2 TYR 18 168.781 0.220 -7.487 139 2HB TYR 18 HB1 TYR 18 168.058 -0.950 -8.584 140 HD1 TYR 18 HD1 TYR 18 165.800 -0.457 -9.573 141 HD2 TYR 18 HD2 TYR 18 168.008 2.442 -7.380 142 HE1 TYR 18 HE1 TYR 18 164.428 1.329 -10.563 143 HE2 TYR 18 HE2 TYR 18 166.642 4.232 -8.360 144 HH TYR 18 HH TYR 18 164.922 4.005 -10.994 145 H ASP 19 HN ASP 19 167.524 -3.201 -7.697 146 HA ASP 19 HA ASP 19 164.967 -3.580 -8.832 147 1HB ASP 19 HB2 ASP 19 167.421 -5.193 -8.474 148 2HB ASP 19 HB1 ASP 19 165.924 -6.115 -8.641 149 H ILE 20 HN ILE 20 166.337 -4.325 -5.708 150 HA ILE 20 HA ILE 20 164.277 -6.127 -4.890 151 HB ILE 20 HB ILE 20 166.216 -4.548 -3.191 152 1HG1 ILE 20 HG12 ILE 20 166.437 -7.472 -3.844 153 2HG1 ILE 20 HG11 ILE 20 167.064 -6.262 -4.966 154 1HG2 ILE 20 HG21 ILE 20 164.189 -5.377 -2.000 155 2HG2 ILE 20 HG22 ILE 20 165.701 -6.066 -1.410 156 3HG2 ILE 20 HG23 ILE 20 164.650 -7.016 -2.459 157 1HD1 ILE 20 HD11 ILE 20 168.216 -7.287 -2.543 158 2HD1 ILE 20 HD12 ILE 20 168.060 -5.532 -2.467 159 3HD1 ILE 20 HD13 ILE 20 168.942 -6.282 -3.797 160 H PHE 21 HN PHE 21 164.682 -2.650 -4.815 161 HA PHE 21 HA PHE 21 162.662 -2.132 -2.889 162 1HB PHE 21 HB2 PHE 21 164.180 -0.354 -3.279 163 2HB PHE 21 HB1 PHE 21 163.971 -0.448 -5.023 164 HD1 PHE 21 HD1 PHE 21 163.513 1.910 -5.253 165 HD2 PHE 21 HD2 PHE 21 161.108 -0.537 -2.735 166 HE1 PHE 21 HE1 PHE 21 161.814 3.688 -5.155 167 HE2 PHE 21 HE2 PHE 21 159.406 1.233 -2.633 168 HZ PHE 21 HZ PHE 21 159.756 3.346 -3.844 169 H LEU 22 HN LEU 22 162.692 -2.169 -6.439 170 HA LEU 22 HA LEU 22 159.911 -1.594 -6.681 171 1HB LEU 22 HB2 LEU 22 161.997 -2.627 -8.582 172 2HB LEU 22 HB1 LEU 22 160.312 -2.475 -9.061 173 HG LEU 22 HG LEU 22 160.398 -0.194 -9.164 174 1HD1 LEU 22 HD11 LEU 22 161.884 1.237 -7.861 175 2HD1 LEU 22 HD12 LEU 22 162.660 -0.186 -7.166 176 3HD1 LEU 22 HD13 LEU 22 160.967 0.157 -6.812 177 1HD2 LEU 22 HD21 LEU 22 162.948 0.379 -9.739 178 2HD2 LEU 22 HD22 LEU 22 161.883 -0.497 -10.838 179 3HD2 LEU 22 HD23 LEU 22 163.018 -1.382 -9.818 180 H GLU 23 HN GLU 23 161.726 -4.489 -6.149 181 HA GLU 23 HA GLU 23 159.584 -6.231 -7.020 182 1HB GLU 23 HB2 GLU 23 161.503 -7.347 -7.479 183 2HB GLU 23 HB1 GLU 23 162.403 -6.537 -6.207 184 1HG GLU 23 HG2 GLU 23 161.790 -8.071 -4.608 185 2HG GLU 23 HG1 GLU 23 160.360 -8.588 -5.499 186 H MET 24 HN MET 24 161.190 -5.457 -3.924 187 HA MET 24 HA MET 24 159.370 -7.060 -2.408 188 1HB MET 24 HB2 MET 24 161.639 -5.251 -1.799 189 2HB MET 24 HB1 MET 24 160.460 -5.497 -0.522 190 1HG MET 24 HG2 MET 24 160.816 -8.029 -1.135 191 2HG MET 24 HG1 MET 24 162.355 -7.422 -1.756 192 1HE MET 24 HE1 MET 24 160.939 -6.979 2.603 193 2HE MET 24 HE2 MET 24 159.915 -7.277 1.199 194 3HE MET 24 HE3 MET 24 160.626 -5.682 1.449 195 H ALA 25 HN ALA 25 159.746 -3.563 -2.915 196 HA ALA 25 HA ALA 25 157.929 -2.506 -1.202 197 1HB ALA 25 HB1 ALA 25 159.200 -1.107 -2.687 198 2HB ALA 25 HB2 ALA 25 157.486 -0.741 -2.873 199 3HB ALA 25 HB3 ALA 25 158.315 -1.719 -4.084 200 H GLY 26 HN GLY 26 155.973 -3.205 -0.675 201 1HA GLY 26 HA2 GLY 26 153.860 -3.228 -2.611 202 2HA GLY 26 HA1 GLY 26 154.287 -4.848 -2.081 203 H GLU 27 HN GLU 27 153.197 -5.608 -0.399 204 HA GLU 27 HA GLU 27 151.321 -4.008 1.004 205 1HB GLU 27 HB2 GLU 27 152.316 -6.825 1.401 206 2HB GLU 27 HB1 GLU 27 151.107 -6.099 2.451 207 1HG GLU 27 HG2 GLU 27 149.505 -6.584 1.011 208 2HG GLU 27 HG1 GLU 27 150.339 -5.705 -0.269 209 H ASN 28 HN ASN 28 154.531 -5.237 1.784 210 HA ASN 28 HA ASN 28 154.621 -4.722 4.503 211 1HB ASN 28 HB2 ASN 28 156.645 -4.901 2.332 212 2HB ASN 28 HB1 ASN 28 157.162 -4.151 3.849 213 1HD2 ASN 28 HD21 ASN 28 155.451 -7.008 2.629 214 2HD2 ASN 28 HD22 ASN 28 156.102 -8.106 3.794 215 H LEU 29 HN LEU 29 155.042 -2.511 1.796 216 HA LEU 29 HA LEU 29 155.679 -0.296 3.563 217 1HB LEU 29 HB2 LEU 29 156.624 -0.755 1.185 218 2HB LEU 29 HB1 LEU 29 155.122 -0.044 0.628 219 HG LEU 29 HG LEU 29 156.967 1.403 2.523 220 1HD1 LEU 29 HD11 LEU 29 156.997 2.255 -0.272 221 2HD1 LEU 29 HD12 LEU 29 157.698 0.659 -0.018 222 3HD1 LEU 29 HD13 LEU 29 158.328 2.049 0.865 223 1HD2 LEU 29 HD21 LEU 29 154.402 1.919 1.341 224 2HD2 LEU 29 HD22 LEU 29 155.571 3.129 0.817 225 3HD2 LEU 29 HD23 LEU 29 155.296 2.855 2.538 226 H ASP 30 HN ASP 30 154.408 1.602 3.741 227 HA ASP 30 HA ASP 30 151.614 1.104 3.924 228 1HB ASP 30 HB2 ASP 30 153.400 3.434 4.462 229 2HB ASP 30 HB1 ASP 30 151.668 3.722 4.322 230 HA PRO 31 HA PRO 31 150.180 1.950 -0.190 231 1HB PRO 31 HB2 PRO 31 148.017 3.369 1.315 232 2HB PRO 31 HB1 PRO 31 147.888 2.206 -0.016 233 1HG PRO 31 HG2 PRO 31 147.416 1.449 2.491 234 2HG PRO 31 HG1 PRO 31 148.278 0.383 1.366 235 1HD PRO 31 HD2 PRO 31 149.328 1.978 3.647 236 2HD PRO 31 HD1 PRO 31 149.897 0.427 2.990 237 H ALA 32 HN ALA 32 149.422 4.674 2.002 238 HA ALA 32 HA ALA 32 149.485 6.727 0.199 239 1HB ALA 32 HB1 ALA 32 150.619 6.947 2.979 240 2HB ALA 32 HB2 ALA 32 148.893 6.876 2.626 241 3HB ALA 32 HB3 ALA 32 149.862 8.218 2.018 242 H ASP 33 HN ASP 33 152.277 5.501 2.035 243 HA ASP 33 HA ASP 33 154.189 7.239 0.969 244 1HB ASP 33 HB2 ASP 33 154.277 4.578 2.315 245 2HB ASP 33 HB1 ASP 33 155.747 5.176 1.548 246 H ILE 34 HN ILE 34 152.769 4.329 -0.328 247 HA ILE 34 HA ILE 34 154.751 3.769 -2.268 248 HB ILE 34 HB ILE 34 151.811 3.071 -2.264 249 1HG1 ILE 34 HG12 ILE 34 154.096 1.195 -1.728 250 2HG1 ILE 34 HG11 ILE 34 153.457 2.214 -0.435 251 1HG2 ILE 34 HG21 ILE 34 152.384 1.373 -3.932 252 2HG2 ILE 34 HG22 ILE 34 154.036 1.987 -3.987 253 3HG2 ILE 34 HG23 ILE 34 152.700 3.002 -4.530 254 1HD1 ILE 34 HD11 ILE 34 151.817 0.775 -0.091 255 2HD1 ILE 34 HD12 ILE 34 152.502 -0.274 -1.333 256 3HD1 ILE 34 HD13 ILE 34 151.288 0.930 -1.766 257 H LEU 35 HN LEU 35 151.610 5.461 -2.562 258 HA LEU 35 HA LEU 35 151.875 6.138 -5.255 259 1HB LEU 35 HB2 LEU 35 149.932 7.247 -5.004 260 2HB LEU 35 HB1 LEU 35 149.907 6.426 -3.460 261 HG LEU 35 HG LEU 35 150.990 8.549 -2.506 262 1HD1 LEU 35 HD11 LEU 35 151.356 10.318 -3.805 263 2HD1 LEU 35 HD12 LEU 35 149.744 10.215 -4.513 264 3HD1 LEU 35 HD13 LEU 35 151.066 9.263 -5.189 265 1HD2 LEU 35 HD21 LEU 35 148.616 9.729 -2.817 266 2HD2 LEU 35 HD22 LEU 35 148.868 8.344 -1.756 267 3HD2 LEU 35 HD23 LEU 35 148.202 8.107 -3.371 268 H LEU 36 HN LEU 36 152.711 8.068 -2.384 269 HA LEU 36 HA LEU 36 153.713 10.314 -3.646 270 1HB LEU 36 HB2 LEU 36 153.546 9.469 -1.061 271 2HB LEU 36 HB1 LEU 36 155.279 9.405 -1.321 272 HG LEU 36 HG LEU 36 155.035 11.825 -2.185 273 1HD1 LEU 36 HD11 LEU 36 153.118 12.969 -0.926 274 2HD1 LEU 36 HD12 LEU 36 152.386 11.365 -0.861 275 3HD1 LEU 36 HD13 LEU 36 152.733 12.113 -2.420 276 1HD2 LEU 36 HD21 LEU 36 156.216 11.797 -0.257 277 2HD2 LEU 36 HD22 LEU 36 155.035 10.788 0.580 278 3HD2 LEU 36 HD23 LEU 36 154.740 12.516 0.387 279 H PHE 37 HN PHE 37 155.488 7.391 -2.692 280 HA PHE 37 HA PHE 37 158.022 8.014 -3.547 281 1HB PHE 37 HB2 PHE 37 156.860 5.797 -2.533 282 2HB PHE 37 HB1 PHE 37 157.084 5.278 -4.199 283 HD1 PHE 37 HD1 PHE 37 158.415 4.605 -1.312 284 HD2 PHE 37 HD2 PHE 37 159.628 6.564 -4.890 285 HE1 PHE 37 HE1 PHE 37 160.760 4.044 -0.822 286 HE2 PHE 37 HE2 PHE 37 161.973 6.006 -4.403 287 HZ PHE 37 HZ PHE 37 162.540 4.745 -2.370 288 H ASN 38 HN ASN 38 155.326 6.771 -5.477 289 HA ASN 38 HA ASN 38 156.749 6.438 -7.883 290 1HB ASN 38 HB2 ASN 38 153.825 7.144 -7.758 291 2HB ASN 38 HB1 ASN 38 154.656 6.131 -8.932 292 1HD2 ASN 38 HD21 ASN 38 156.165 4.600 -7.093 293 2HD2 ASN 38 HD22 ASN 38 155.064 3.563 -6.241 294 H LEU 39 HN LEU 39 154.541 9.083 -6.922 295 HA LEU 39 HA LEU 39 155.571 10.720 -9.096 296 1HB LEU 39 HB2 LEU 39 153.551 11.606 -7.059 297 2HB LEU 39 HB1 LEU 39 153.782 12.195 -8.692 298 HG LEU 39 HG LEU 39 151.860 10.972 -8.945 299 1HD1 LEU 39 HD11 LEU 39 152.330 9.129 -10.272 300 2HD1 LEU 39 HD12 LEU 39 153.722 8.655 -9.297 301 3HD1 LEU 39 HD13 LEU 39 153.821 10.068 -10.349 302 1HD2 LEU 39 HD21 LEU 39 152.428 8.496 -7.570 303 2HD2 LEU 39 HD22 LEU 39 151.067 9.601 -7.389 304 3HD2 LEU 39 HD23 LEU 39 152.556 9.881 -6.486 305 H GLN 40 HN GLN 40 157.602 10.258 -7.395 306 HA GLN 40 HA GLN 40 158.201 12.918 -6.437 307 1HB GLN 40 HB2 GLN 40 158.001 10.564 -4.572 308 2HB GLN 40 HB1 GLN 40 158.982 11.972 -4.200 309 1HG GLN 40 HG2 GLN 40 156.019 12.001 -4.711 310 2HG GLN 40 HG1 GLN 40 156.791 12.035 -3.126 311 1HE2 GLN 40 HE21 GLN 40 157.745 13.929 -2.406 312 2HE2 GLN 40 HE22 GLN 40 157.546 15.442 -3.214 313 H PHE 41 HN PHE 41 159.263 9.525 -6.461 314 HA PHE 41 HA PHE 41 161.939 9.731 -6.116 315 1HB PHE 41 HB2 PHE 41 160.591 7.638 -6.606 316 2HB PHE 41 HB1 PHE 41 160.784 8.025 -8.319 317 HD1 PHE 41 HD1 PHE 41 162.786 7.539 -5.220 318 HD2 PHE 41 HD2 PHE 41 162.615 7.207 -9.457 319 HE1 PHE 41 HE1 PHE 41 164.982 6.429 -5.214 320 HE2 PHE 41 HE2 PHE 41 164.808 6.094 -9.463 321 HZ PHE 41 HZ PHE 41 165.995 5.705 -7.339 322 H GLU 42 HN GLU 42 160.172 10.554 -9.052 323 HA GLU 42 HA GLU 42 162.326 10.879 -10.794 324 1HB GLU 42 HB2 GLU 42 159.966 10.893 -11.503 325 2HB GLU 42 HB1 GLU 42 159.744 12.451 -10.719 326 1HG GLU 42 HG2 GLU 42 161.115 13.551 -12.274 327 2HG GLU 42 HG1 GLU 42 161.774 12.035 -12.886 328 H GLU 43 HN GLU 43 160.824 13.208 -8.577 329 HA GLU 43 HA GLU 43 162.909 15.158 -9.204 330 1HB GLU 43 HB2 GLU 43 160.216 15.444 -8.706 331 2HB GLU 43 HB1 GLU 43 160.936 15.902 -7.169 332 1HG GLU 43 HG2 GLU 43 160.661 17.869 -8.475 333 2HG GLU 43 HG1 GLU 43 162.384 17.506 -8.393 334 H ARG 44 HN ARG 44 161.368 13.909 -6.232 335 HA ARG 44 HA ARG 44 163.812 14.504 -4.751 336 1HB ARG 44 HB2 ARG 44 161.076 13.611 -3.826 337 2HB ARG 44 HB1 ARG 44 162.428 13.942 -2.754 338 1HG ARG 44 HG2 ARG 44 161.483 15.973 -2.625 339 2HG ARG 44 HG1 ARG 44 162.348 16.250 -4.138 340 1HD ARG 44 HD2 ARG 44 160.099 15.116 -5.084 341 2HD ARG 44 HD1 ARG 44 159.461 15.892 -3.635 342 HE ARG 44 HE ARG 44 160.896 17.862 -4.796 343 1HH1 ARG 44 HH11 ARG 44 158.423 15.708 -5.990 344 2HH1 ARG 44 HH12 ARG 44 157.823 16.841 -7.154 345 1HH2 ARG 44 HH21 ARG 44 160.107 19.354 -6.325 346 2HH2 ARG 44 HH22 ARG 44 158.778 18.911 -7.344 347 H GLY 45 HN GLY 45 164.690 12.644 -6.214 348 1HA GLY 45 HA2 GLY 45 164.070 10.004 -5.139 349 2HA GLY 45 HA1 GLY 45 165.093 10.346 -6.530 350 H GLY 46 HN GLY 46 165.324 8.873 -3.784 351 1HA GLY 46 HA2 GLY 46 168.053 9.854 -3.277 352 2HA GLY 46 HA1 GLY 46 166.955 9.578 -1.932 353 H VAL 47 HN VAL 47 169.531 8.302 -3.286 354 HA VAL 47 HA VAL 47 168.875 5.623 -2.383 355 HB VAL 47 HB VAL 47 170.216 4.880 -4.617 356 1HG1 VAL 47 HG11 VAL 47 167.547 4.885 -5.447 357 2HG1 VAL 47 HG12 VAL 47 167.491 4.816 -3.685 358 3HG1 VAL 47 HG13 VAL 47 168.400 3.602 -4.587 359 1HG2 VAL 47 HG21 VAL 47 169.862 7.443 -5.263 360 2HG2 VAL 47 HG22 VAL 47 168.330 6.802 -5.856 361 3HG2 VAL 47 HG23 VAL 47 169.853 6.151 -6.464 362 H GLU 48 HN GLU 48 170.388 7.039 -0.904 363 HA GLU 48 HA GLU 48 173.162 7.050 -1.694 364 1HB GLU 48 HB2 GLU 48 172.160 8.812 -0.248 365 2HB GLU 48 HB1 GLU 48 171.950 7.609 1.016 366 1HG GLU 48 HG2 GLU 48 173.908 8.871 1.500 367 2HG GLU 48 HG1 GLU 48 174.404 7.252 1.010 368 H PHE 49 HN PHE 49 174.577 5.469 -1.413 369 HA PHE 49 HA PHE 49 173.786 3.057 -0.022 370 1HB PHE 49 HB2 PHE 49 174.960 2.904 -2.178 371 2HB PHE 49 HB1 PHE 49 176.350 3.734 -1.484 372 HD1 PHE 49 HD1 PHE 49 178.079 2.493 -0.602 373 HD2 PHE 49 HD2 PHE 49 174.229 0.718 -0.968 374 HE1 PHE 49 HE1 PHE 49 179.010 0.335 0.121 375 HE2 PHE 49 HE2 PHE 49 175.153 -1.444 -0.244 376 HZ PHE 49 HZ PHE 49 177.546 -1.637 0.302 377 H VAL 50 HN VAL 50 173.806 3.404 2.151 378 HA VAL 50 HA VAL 50 176.117 4.674 3.386 379 HB VAL 50 HB VAL 50 174.774 4.107 5.544 380 1HG1 VAL 50 HG11 VAL 50 173.370 6.150 5.193 381 2HG1 VAL 50 HG12 VAL 50 173.937 6.171 3.522 382 3HG1 VAL 50 HG13 VAL 50 175.088 6.352 4.847 383 1HG2 VAL 50 HG21 VAL 50 173.191 2.580 4.469 384 2HG2 VAL 50 HG22 VAL 50 172.584 3.906 3.480 385 3HG2 VAL 50 HG23 VAL 50 172.371 3.942 5.229 386 H GLU 51 HN GLU 51 177.025 3.656 5.382 387 HA GLU 51 HA GLU 51 177.632 0.853 4.803 388 1HB GLU 51 HB2 GLU 51 179.599 1.153 6.172 389 2HB GLU 51 HB1 GLU 51 179.501 2.470 5.012 390 1HG GLU 51 HG2 GLU 51 178.255 3.656 7.023 391 2HG GLU 51 HG1 GLU 51 179.210 2.507 7.960 392 H THR 52 HN THR 52 177.906 -0.622 6.654 393 HA THR 52 HA THR 52 175.601 -0.928 8.138 394 HB THR 52 HB THR 52 178.362 -1.918 8.859 395 HG1 THR 52 HG1 THR 52 176.373 -2.950 7.136 396 1HG2 THR 52 HG21 THR 52 176.942 -3.916 9.665 397 2HG2 THR 52 HG22 THR 52 175.637 -2.733 9.761 398 3HG2 THR 52 HG23 THR 52 177.112 -2.501 10.704 399 H ALA 53 HN ALA 53 175.376 -0.939 10.525 400 HA ALA 53 HA ALA 53 176.886 1.189 11.864 401 1HB ALA 53 HB1 ALA 53 174.430 1.658 12.873 402 2HB ALA 53 HB2 ALA 53 174.010 1.176 11.229 403 3HB ALA 53 HB3 ALA 53 175.110 2.529 11.498 404 H ASP 54 HN ASP 54 176.573 1.176 14.235 405 HA ASP 54 HA ASP 54 176.503 -1.568 15.202 406 1HB ASP 54 HB2 ASP 54 177.765 0.928 16.037 407 2HB ASP 54 HB1 ASP 54 177.028 0.064 17.384 408 H ASP 55 HN ASP 55 174.651 1.372 15.380 409 HA ASP 55 HA ASP 55 173.040 0.611 17.608 410 1HB ASP 55 HB2 ASP 55 173.072 2.815 15.628 411 2HB ASP 55 HB1 ASP 55 171.516 2.460 16.373 412 H TRP 56 HN TRP 56 173.181 -0.687 14.569 413 HA TRP 56 HA TRP 56 170.653 -0.916 13.576 414 1HB TRP 56 HB2 TRP 56 173.073 -2.577 13.516 415 2HB TRP 56 HB1 TRP 56 171.577 -3.479 13.242 416 HD1 TRP 56 HD1 TRP 56 174.096 -2.198 11.203 417 HE1 TRP 56 HE1 TRP 56 173.254 -1.299 8.943 418 HE3 TRP 56 HE3 TRP 56 169.133 -1.720 12.323 419 HZ2 TRP 56 HZ2 TRP 56 170.802 -0.499 7.787 420 HZ3 TRP 56 HZ3 TRP 56 167.606 -0.885 10.584 421 HH2 TRP 56 HH2 TRP 56 168.424 -0.289 8.364 422 H GLU 57 HN GLU 57 171.921 -2.389 16.463 423 HA GLU 57 HA GLU 57 169.927 -4.356 16.838 424 1HB GLU 57 HB2 GLU 57 171.677 -2.925 18.844 425 2HB GLU 57 HB1 GLU 57 170.672 -4.317 19.223 426 1HG GLU 57 HG2 GLU 57 171.953 -5.738 17.838 427 2HG GLU 57 HG1 GLU 57 172.798 -4.376 17.104 428 H GLU 58 HN GLU 58 168.232 -2.672 16.056 429 HA GLU 58 HA GLU 58 166.553 -2.067 18.271 430 1HB GLU 58 HB2 GLU 58 168.237 0.028 17.091 431 2HB GLU 58 HB1 GLU 58 166.533 0.449 17.198 432 1HG GLU 58 HG2 GLU 58 167.529 -0.747 19.645 433 2HG GLU 58 HG1 GLU 58 168.419 0.705 19.193 434 H GLU 59 HN GLU 59 167.273 -1.388 14.868 435 HA GLU 59 HA GLU 59 164.490 -1.165 14.160 436 1HB GLU 59 HB2 GLU 59 166.867 -1.411 12.316 437 2HB GLU 59 HB1 GLU 59 165.271 -0.796 11.911 438 1HG GLU 59 HG2 GLU 59 166.189 1.207 12.237 439 2HG GLU 59 HG1 GLU 59 165.975 0.850 13.951 440 H ILE 60 HN ILE 60 167.018 -3.285 12.787 441 HA ILE 60 HA ILE 60 165.070 -5.221 11.978 442 HB ILE 60 HB ILE 60 166.994 -6.557 11.228 443 1HG1 ILE 60 HG12 ILE 60 168.641 -4.331 12.455 444 2HG1 ILE 60 HG11 ILE 60 168.562 -6.000 13.027 445 1HG2 ILE 60 HG21 ILE 60 167.984 -4.734 9.697 446 2HG2 ILE 60 HG22 ILE 60 166.833 -3.659 10.490 447 3HG2 ILE 60 HG23 ILE 60 166.255 -5.069 9.602 448 1HD1 ILE 60 HD11 ILE 60 169.415 -6.619 10.689 449 2HD1 ILE 60 HD12 ILE 60 170.548 -5.901 11.833 450 3HD1 ILE 60 HD13 ILE 60 169.844 -4.915 10.551 451 H GLY 61 HN GLY 61 167.281 -4.863 14.673 452 1HA GLY 61 HA2 GLY 61 167.241 -5.945 16.719 453 2HA GLY 61 HA1 GLY 61 165.889 -6.908 16.142 454 H VAL 62 HN VAL 62 169.212 -6.541 14.933 455 HA VAL 62 HA VAL 62 170.023 -9.135 15.816 456 HB VAL 62 HB VAL 62 170.292 -9.153 12.905 457 1HG1 VAL 62 HG11 VAL 62 170.179 -11.405 13.175 458 2HG1 VAL 62 HG12 VAL 62 168.944 -11.308 14.430 459 3HG1 VAL 62 HG13 VAL 62 170.627 -10.949 14.819 460 1HG2 VAL 62 HG21 VAL 62 167.994 -8.136 13.182 461 2HG2 VAL 62 HG22 VAL 62 167.513 -9.648 13.951 462 3HG2 VAL 62 HG23 VAL 62 168.064 -9.647 12.276 463 H LEU 63 HN LEU 63 172.079 -8.686 16.400 464 HA LEU 63 HA LEU 63 173.584 -6.532 15.619 465 1HB LEU 63 HB2 LEU 63 174.568 -9.264 16.444 466 2HB LEU 63 HB1 LEU 63 175.552 -7.815 16.400 467 HG LEU 63 HG LEU 63 173.383 -7.104 17.991 468 1HD1 LEU 63 HD11 LEU 63 174.320 -9.870 18.735 469 2HD1 LEU 63 HD12 LEU 63 172.720 -9.458 18.119 470 3HD1 LEU 63 HD13 LEU 63 173.249 -8.840 19.684 471 1HD2 LEU 63 HD21 LEU 63 175.984 -8.151 19.062 472 2HD2 LEU 63 HD22 LEU 63 174.986 -6.835 19.679 473 3HD2 LEU 63 HD23 LEU 63 175.884 -6.631 18.175 474 H ILE 64 HN ILE 64 174.649 -5.959 13.848 475 HA ILE 64 HA ILE 64 175.200 -8.028 11.821 476 HB ILE 64 HB ILE 64 174.825 -5.116 11.175 477 1HG1 ILE 64 HG12 ILE 64 172.780 -5.921 12.309 478 2HG1 ILE 64 HG11 ILE 64 172.498 -5.583 10.604 479 1HG2 ILE 64 HG21 ILE 64 174.503 -5.873 8.949 480 2HG2 ILE 64 HG22 ILE 64 174.398 -7.555 9.467 481 3HG2 ILE 64 HG23 ILE 64 175.934 -6.695 9.571 482 1HD1 ILE 64 HD11 ILE 64 172.532 -7.918 10.079 483 2HD1 ILE 64 HD12 ILE 64 171.410 -7.648 11.412 484 3HD1 ILE 64 HD13 ILE 64 173.008 -8.325 11.728 485 H ASP 65 HN ASP 65 177.213 -8.139 10.951 486 HA ASP 65 HA ASP 65 179.369 -6.967 12.348 487 1HB ASP 65 HB2 ASP 65 179.024 -8.799 10.077 488 2HB ASP 65 HB1 ASP 65 180.488 -7.822 9.997 489 HA PRO 66 HA PRO 66 179.056 -2.988 10.228 490 1HB PRO 66 HB2 PRO 66 181.290 -1.939 11.478 491 2HB PRO 66 HB1 PRO 66 179.638 -1.858 12.106 492 1HG PRO 66 HG2 PRO 66 181.849 -3.727 12.815 493 2HG PRO 66 HG1 PRO 66 180.615 -2.996 13.854 494 1HD PRO 66 HD2 PRO 66 180.473 -5.560 13.044 495 2HD PRO 66 HD1 PRO 66 179.022 -4.564 13.282 496 H GLU 67 HN GLU 67 180.328 -1.820 8.722 497 HA GLU 67 HA GLU 67 181.588 -1.746 6.832 498 1HB GLU 67 HB2 GLU 67 183.959 -1.841 7.167 499 2HB GLU 67 HB1 GLU 67 183.229 -1.140 8.603 500 1HG GLU 67 HG2 GLU 67 183.580 -3.091 9.863 501 2HG GLU 67 HG1 GLU 67 183.933 -4.051 8.427 502 H GLU 68 HN GLU 68 180.270 -4.398 7.537 503 HA GLU 68 HA GLU 68 181.706 -5.973 5.532 504 1HB GLU 68 HB2 GLU 68 180.642 -7.051 8.144 505 2HB GLU 68 HB1 GLU 68 181.382 -8.010 6.860 506 1HG GLU 68 HG2 GLU 68 183.499 -7.224 7.314 507 2HG GLU 68 HG1 GLU 68 182.894 -5.754 8.089 508 H TYR 69 HN TYR 69 179.122 -4.333 5.816 509 HA TYR 69 HA TYR 69 177.441 -6.256 4.421 510 1HB TYR 69 HB2 TYR 69 176.766 -4.996 7.048 511 2HB TYR 69 HB1 TYR 69 175.473 -5.264 5.874 512 HD1 TYR 69 HD1 TYR 69 178.202 -7.024 7.696 513 HD2 TYR 69 HD2 TYR 69 174.449 -7.354 5.723 514 HE1 TYR 69 HE1 TYR 69 178.021 -9.357 8.447 515 HE2 TYR 69 HE2 TYR 69 174.255 -9.688 6.469 516 HH TYR 69 HH TYR 69 176.870 -11.409 7.820 517 H ALA 70 HN ALA 70 175.995 -5.308 2.982 518 HA ALA 70 HA ALA 70 176.578 -2.529 2.344 519 1HB ALA 70 HB1 ALA 70 176.234 -3.132 0.229 520 2HB ALA 70 HB2 ALA 70 174.647 -3.801 0.607 521 3HB ALA 70 HB3 ALA 70 176.091 -4.792 0.806 522 H GLU 71 HN GLU 71 175.376 -0.980 3.243 523 HA GLU 71 HA GLU 71 172.556 -1.595 3.795 524 1HB GLU 71 HB2 GLU 71 173.745 -1.070 5.834 525 2HB GLU 71 HB1 GLU 71 174.446 0.369 5.117 526 1HG GLU 71 HG2 GLU 71 172.012 1.204 4.921 527 2HG GLU 71 HG1 GLU 71 171.637 -0.078 6.073 528 H VAL 72 HN VAL 72 171.424 -0.919 2.083 529 HA VAL 72 HA VAL 72 172.105 1.611 0.794 530 HB VAL 72 HB VAL 72 171.659 -0.378 -0.623 531 1HG1 VAL 72 HG11 VAL 72 169.729 -1.070 1.036 532 2HG1 VAL 72 HG12 VAL 72 169.682 -1.520 -0.668 533 3HG1 VAL 72 HG13 VAL 72 168.744 -0.141 -0.094 534 1HG2 VAL 72 HG21 VAL 72 169.426 1.429 -1.304 535 2HG2 VAL 72 HG22 VAL 72 170.795 0.895 -2.279 536 3HG2 VAL 72 HG23 VAL 72 171.007 2.183 -1.093 537 H TRP 73 HN TRP 73 170.854 3.409 0.897 538 HA TRP 73 HA TRP 73 168.388 3.209 2.493 539 1HB TRP 73 HB2 TRP 73 170.694 5.068 2.689 540 2HB TRP 73 HB1 TRP 73 169.094 5.763 2.936 541 HD1 TRP 73 HD1 TRP 73 170.328 2.300 4.117 542 HE1 TRP 73 HE1 TRP 73 170.035 2.174 6.670 543 HE3 TRP 73 HE3 TRP 73 168.778 7.089 4.990 544 HZ2 TRP 73 HZ2 TRP 73 169.247 3.876 8.772 545 HZ3 TRP 73 HZ3 TRP 73 168.275 7.763 7.302 546 HH2 TRP 73 HH2 TRP 73 168.510 6.190 9.156 547 H VAL 74 HN VAL 74 166.937 3.142 0.789 548 HA VAL 74 HA VAL 74 167.064 5.299 -1.177 549 HB VAL 74 HB VAL 74 165.306 2.845 -1.101 550 1HG1 VAL 74 HG11 VAL 74 165.521 4.108 -3.668 551 2HG1 VAL 74 HG12 VAL 74 164.943 5.270 -2.469 552 3HG1 VAL 74 HG13 VAL 74 164.081 3.745 -2.715 553 1HG2 VAL 74 HG21 VAL 74 166.827 2.545 -3.290 554 2HG2 VAL 74 HG22 VAL 74 167.277 1.907 -1.708 555 3HG2 VAL 74 HG23 VAL 74 167.956 3.435 -2.269 556 H GLY 75 HN GLY 75 166.165 7.081 -0.465 557 1HA GLY 75 HA2 GLY 75 163.439 6.916 0.669 558 2HA GLY 75 HA1 GLY 75 164.655 7.957 1.385 559 H LEU 76 HN LEU 76 163.834 9.913 1.101 560 HA LEU 76 HA LEU 76 163.514 10.859 -1.659 561 1HB LEU 76 HB2 LEU 76 161.329 10.538 0.188 562 2HB LEU 76 HB1 LEU 76 161.584 12.248 -0.094 563 HG LEU 76 HG LEU 76 161.307 11.921 -2.490 564 1HD1 LEU 76 HD11 LEU 76 160.229 9.377 -2.747 565 2HD1 LEU 76 HD12 LEU 76 161.676 9.143 -1.770 566 3HD1 LEU 76 HD13 LEU 76 161.796 9.924 -3.347 567 1HD2 LEU 76 HD21 LEU 76 159.118 12.170 -2.219 568 2HD2 LEU 76 HD22 LEU 76 159.329 11.700 -0.532 569 3HD2 LEU 76 HD23 LEU 76 158.927 10.482 -1.743 570 H VAL 77 HN VAL 77 164.993 12.403 -1.870 571 HA VAL 77 HA VAL 77 165.677 14.062 0.451 572 HB VAL 77 HB VAL 77 167.614 14.808 -0.956 573 1HG1 VAL 77 HG11 VAL 77 168.595 12.317 -0.965 574 2HG1 VAL 77 HG12 VAL 77 167.169 12.064 0.040 575 3HG1 VAL 77 HG13 VAL 77 168.376 13.261 0.508 576 1HG2 VAL 77 HG21 VAL 77 167.304 12.491 -2.750 577 2HG2 VAL 77 HG22 VAL 77 167.975 14.092 -3.064 578 3HG2 VAL 77 HG23 VAL 77 166.227 13.853 -3.060 579 H ASN 78 HN ASN 78 166.495 16.357 -0.380 580 HA ASN 78 HA ASN 78 164.152 17.578 -1.622 581 1HB ASN 78 HB2 ASN 78 166.505 19.001 -0.373 582 2HB ASN 78 HB1 ASN 78 164.898 19.647 -0.688 583 1HD2 ASN 78 HD21 ASN 78 166.857 18.644 1.681 584 2HD2 ASN 78 HD22 ASN 78 165.695 18.111 2.843 585 H GLU 79 HN GLU 79 165.265 19.905 -2.626 586 HA GLU 79 HA GLU 79 166.071 19.091 -5.198 587 1HB GLU 79 HB2 GLU 79 166.581 21.540 -5.526 588 2HB GLU 79 HB1 GLU 79 164.948 21.178 -4.984 589 1HG GLU 79 HG2 GLU 79 165.239 22.634 -3.348 590 2HG GLU 79 HG1 GLU 79 166.430 21.538 -2.650 591 H GLN 80 HN GLN 80 167.854 19.983 -2.337 592 HA GLN 80 HA GLN 80 170.367 20.299 -3.663 593 1HB GLN 80 HB2 GLN 80 171.168 19.947 -1.156 594 2HB GLN 80 HB1 GLN 80 170.452 21.456 -1.707 595 1HG GLN 80 HG2 GLN 80 168.556 21.163 -0.504 596 2HG GLN 80 HG1 GLN 80 168.609 19.407 -0.628 597 1HE2 GLN 80 HE21 GLN 80 168.155 21.062 1.706 598 2HE2 GLN 80 HE22 GLN 80 169.391 20.655 2.843 599 H ASP 81 HN ASP 81 169.553 17.905 -1.138 600 HA ASP 81 HA ASP 81 169.914 15.563 -2.471 601 1HB ASP 81 HB2 ASP 81 172.431 16.984 -2.278 602 2HB ASP 81 HB1 ASP 81 172.525 15.429 -1.456 603 H GLU 82 HN GLU 82 170.495 17.396 0.420 604 HA GLU 82 HA GLU 82 171.139 15.588 2.333 605 1HB GLU 82 HB2 GLU 82 169.813 18.126 2.266 606 2HB GLU 82 HB1 GLU 82 169.019 17.099 3.450 607 1HG GLU 82 HG2 GLU 82 170.599 17.785 4.854 608 2HG GLU 82 HG1 GLU 82 171.666 16.677 3.993 609 H MET 83 HN MET 83 170.244 13.919 3.402 610 HA MET 83 HA MET 83 167.485 13.166 2.688 611 1HB MET 83 HB2 MET 83 169.049 11.632 1.653 612 2HB MET 83 HB1 MET 83 169.881 11.389 3.181 613 1HG MET 83 HG2 MET 83 168.627 9.524 3.221 614 2HG MET 83 HG1 MET 83 167.430 10.617 3.910 615 1HE MET 83 HE1 MET 83 167.440 8.574 -0.145 616 2HE MET 83 HE2 MET 83 167.482 7.717 1.398 617 3HE MET 83 HE3 MET 83 168.804 8.796 0.952 618 H ASP 84 HN ASP 84 166.115 13.083 4.336 619 HA ASP 84 HA ASP 84 167.060 12.299 6.984 620 1HB ASP 84 HB2 ASP 84 167.059 14.888 6.650 621 2HB ASP 84 HB1 ASP 84 165.310 14.732 6.789 622 H ASP 85 HN ASP 85 165.256 11.303 4.769 623 HA ASP 85 HA ASP 85 163.186 10.293 6.477 624 1HB ASP 85 HB2 ASP 85 162.584 12.324 4.348 625 2HB ASP 85 HB1 ASP 85 161.408 11.052 4.707 626 H VAL 86 HN VAL 86 164.102 8.311 5.944 627 HA VAL 86 HA VAL 86 164.232 7.517 3.154 628 HB VAL 86 HB VAL 86 166.071 6.828 4.567 629 1HG1 VAL 86 HG11 VAL 86 163.949 5.487 6.223 630 2HG1 VAL 86 HG12 VAL 86 165.060 6.764 6.718 631 3HG1 VAL 86 HG13 VAL 86 165.673 5.146 6.373 632 1HG2 VAL 86 HG21 VAL 86 164.957 5.293 2.750 633 2HG2 VAL 86 HG22 VAL 86 164.626 4.264 4.144 634 3HG2 VAL 86 HG23 VAL 86 166.286 4.707 3.748 635 H PHE 87 HN PHE 87 163.132 5.759 2.271 636 HA PHE 87 HA PHE 87 160.548 5.225 3.538 637 1HB PHE 87 HB2 PHE 87 161.563 5.121 0.720 638 2HB PHE 87 HB1 PHE 87 160.143 4.182 1.167 639 HD1 PHE 87 HD1 PHE 87 161.175 7.175 -0.197 640 HD2 PHE 87 HD2 PHE 87 158.396 5.623 2.625 641 HE1 PHE 87 HE1 PHE 87 159.766 9.168 -0.495 642 HE2 PHE 87 HE2 PHE 87 156.983 7.611 2.334 643 HZ PHE 87 HZ PHE 87 157.665 9.390 0.772 644 H ALA 88 HN ALA 88 163.297 3.559 2.042 645 HA ALA 88 HA ALA 88 162.763 1.226 3.693 646 1HB ALA 88 HB1 ALA 88 162.324 -0.286 2.035 647 2HB ALA 88 HB2 ALA 88 163.157 0.665 0.801 648 3HB ALA 88 HB3 ALA 88 161.557 1.152 1.357 649 H LYS 89 HN LYS 89 164.671 0.568 4.535 650 HA LYS 89 HA LYS 89 167.111 1.061 2.963 651 1HB LYS 89 HB2 LYS 89 167.249 0.531 5.891 652 2HB LYS 89 HB1 LYS 89 168.267 1.549 4.892 653 1HG LYS 89 HG2 LYS 89 167.168 3.101 6.178 654 2HG LYS 89 HG1 LYS 89 166.153 3.055 4.739 655 1HD LYS 89 HD2 LYS 89 164.429 2.634 6.084 656 2HD LYS 89 HD1 LYS 89 165.140 1.046 6.367 657 1HE LYS 89 HE2 LYS 89 165.287 1.606 8.516 658 2HE LYS 89 HE1 LYS 89 166.551 2.743 8.051 659 1HZ LYS 89 HZ1 LYS 89 165.179 4.498 8.276 660 2HZ LYS 89 HZ2 LYS 89 164.338 3.465 9.318 661 3HZ LYS 89 HZ3 LYS 89 163.813 3.666 7.723 662 H PHE 90 HN PHE 90 168.354 -0.708 2.450 663 HA PHE 90 HA PHE 90 167.478 -3.276 3.593 664 1HB PHE 90 HB2 PHE 90 168.789 -2.824 0.912 665 2HB PHE 90 HB1 PHE 90 168.156 -4.346 1.526 666 HD1 PHE 90 HD1 PHE 90 166.982 -0.846 0.952 667 HD2 PHE 90 HD2 PHE 90 166.105 -5.007 0.759 668 HE1 PHE 90 HE1 PHE 90 164.792 -0.334 -0.043 669 HE2 PHE 90 HE2 PHE 90 163.914 -4.502 -0.239 670 HZ PHE 90 HZ PHE 90 163.255 -2.164 -0.642 671 H LEU 91 HN LEU 91 169.030 -4.946 3.903 672 HA LEU 91 HA LEU 91 171.832 -4.083 4.104 673 1HB LEU 91 HB2 LEU 91 170.323 -5.591 6.241 674 2HB LEU 91 HB1 LEU 91 172.044 -5.261 6.252 675 HG LEU 91 HG LEU 91 169.994 -3.056 6.240 676 1HD1 LEU 91 HD11 LEU 91 171.332 -3.678 8.772 677 2HD1 LEU 91 HD12 LEU 91 170.157 -4.885 8.249 678 3HD1 LEU 91 HD13 LEU 91 169.663 -3.205 8.454 679 1HD2 LEU 91 HD21 LEU 91 172.930 -3.286 6.491 680 2HD2 LEU 91 HD22 LEU 91 172.132 -2.103 7.525 681 3HD2 LEU 91 HD23 LEU 91 171.948 -2.010 5.773 682 H ILE 92 HN ILE 92 172.859 -5.406 2.713 683 HA ILE 92 HA ILE 92 172.092 -8.251 2.721 684 HB ILE 92 HB ILE 92 173.430 -8.040 0.373 685 1HG1 ILE 92 HG12 ILE 92 172.276 -5.336 0.983 686 2HG1 ILE 92 HG11 ILE 92 173.780 -5.749 0.169 687 1HG2 ILE 92 HG21 ILE 92 170.490 -7.499 0.784 688 2HG2 ILE 92 HG22 ILE 92 171.252 -9.089 0.770 689 3HG2 ILE 92 HG23 ILE 92 171.241 -8.105 -0.693 690 1HD1 ILE 92 HD11 ILE 92 171.005 -6.003 -0.964 691 2HD1 ILE 92 HD12 ILE 92 172.497 -6.452 -1.794 692 3HD1 ILE 92 HD13 ILE 92 172.197 -4.766 -1.369 693 H SER 93 HN SER 93 173.586 -9.759 3.090 694 HA SER 93 HA SER 93 176.120 -8.980 4.146 695 1HB SER 93 HB2 SER 93 175.632 -11.830 3.464 696 2HB SER 93 HB1 SER 93 176.262 -11.117 4.948 697 HG SER 93 HG SER 93 174.301 -11.636 5.595 698 H HIS 94 HN HIS 94 177.440 -8.085 2.632 699 HA HIS 94 HA HIS 94 177.858 -8.530 0.027 700 1HB HIS 94 HB2 HIS 94 180.017 -8.194 2.117 701 2HB HIS 94 HB1 HIS 94 180.274 -8.009 0.381 702 HD1 HIS 94 HD1 HIS 94 178.856 -6.028 -0.761 703 HD2 HIS 94 HD2 HIS 94 179.140 -5.925 3.378 704 HE1 HIS 94 HE1 HIS 94 178.267 -3.673 -0.105 705 HE2 HIS 94 HE2 HIS 94 178.593 -3.602 2.389 706 H ARG 95 HN ARG 95 179.294 -10.545 2.583 707 HA ARG 95 HA ARG 95 180.889 -12.222 1.136 708 1HB ARG 95 HB2 ARG 95 180.175 -14.015 2.833 709 2HB ARG 95 HB1 ARG 95 180.906 -12.540 3.452 710 1HG ARG 95 HG2 ARG 95 178.004 -12.382 3.244 711 2HG ARG 95 HG1 ARG 95 178.564 -13.662 4.322 712 1HD ARG 95 HD2 ARG 95 179.950 -11.087 4.616 713 2HD ARG 95 HD1 ARG 95 178.241 -11.065 5.046 714 HE ARG 95 HE ARG 95 179.348 -13.288 6.275 715 1HH1 ARG 95 HH11 ARG 95 179.732 -9.822 6.394 716 2HH1 ARG 95 HH12 ARG 95 180.224 -9.809 8.054 717 1HH2 ARG 95 HH21 ARG 95 179.995 -13.273 8.458 718 2HH2 ARG 95 HH22 ARG 95 180.374 -11.768 9.226 719 H GLU 96 HN GLU 96 180.680 -13.943 -0.186 720 HA GLU 96 HA GLU 96 178.408 -14.246 -1.761 721 1HB GLU 96 HB2 GLU 96 180.977 -15.162 -1.859 722 2HB GLU 96 HB1 GLU 96 180.096 -16.646 -1.518 723 1HG GLU 96 HG2 GLU 96 178.583 -15.573 -3.500 724 2HG GLU 96 HG1 GLU 96 180.197 -15.028 -3.954 725 H GLU 97 HN GLU 97 179.536 -16.228 0.965 726 HA GLU 97 HA GLU 97 177.384 -18.070 0.867 727 1HB GLU 97 HB2 GLU 97 178.134 -18.750 3.107 728 2HB GLU 97 HB1 GLU 97 179.485 -18.608 1.991 729 1HG GLU 97 HG2 GLU 97 179.780 -16.253 2.952 730 2HG GLU 97 HG1 GLU 97 178.722 -16.801 4.251 731 H ASP 98 HN ASP 98 176.217 -18.255 3.275 732 HA ASP 98 HA ASP 98 174.490 -17.486 4.524 733 1HB ASP 98 HB2 ASP 98 176.323 -15.158 4.336 734 2HB ASP 98 HB1 ASP 98 174.689 -14.835 4.906 735 H ARG 99 HN ARG 99 174.891 -14.516 2.636 736 HA ARG 99 HA ARG 99 173.560 -13.473 1.113 737 1HB ARG 99 HB2 ARG 99 173.405 -16.128 0.382 738 2HB ARG 99 HB1 ARG 99 171.710 -15.704 0.605 739 1HG ARG 99 HG2 ARG 99 173.674 -14.702 -1.404 740 2HG ARG 99 HG1 ARG 99 172.015 -15.253 -1.622 741 1HD ARG 99 HD2 ARG 99 171.722 -13.040 -0.008 742 2HD ARG 99 HD1 ARG 99 173.043 -12.578 -1.083 743 HE ARG 99 HE ARG 99 171.565 -12.536 -2.844 744 1HH1 ARG 99 HH11 ARG 99 170.039 -14.035 -0.085 745 2HH1 ARG 99 HH12 ARG 99 168.460 -14.023 -0.795 746 1HH2 ARG 99 HH21 ARG 99 169.486 -12.521 -3.777 747 2HH2 ARG 99 HH22 ARG 99 168.146 -13.165 -2.890 748 H GLU 100 HN GLU 100 172.953 -12.668 3.418 749 HA GLU 100 HA GLU 100 170.111 -13.172 3.952 750 1HB GLU 100 HB2 GLU 100 171.817 -13.413 5.803 751 2HB GLU 100 HB1 GLU 100 172.062 -11.675 5.703 752 1HG GLU 100 HG2 GLU 100 170.532 -12.338 7.512 753 2HG GLU 100 HG1 GLU 100 169.785 -11.260 6.334 754 H PHE 101 HN PHE 101 168.658 -11.440 4.235 755 HA PHE 101 HA PHE 101 169.546 -8.777 3.483 756 1HB PHE 101 HB2 PHE 101 168.074 -8.508 1.639 757 2HB PHE 101 HB1 PHE 101 168.929 -10.022 1.367 758 HD1 PHE 101 HD1 PHE 101 165.792 -8.460 1.391 759 HD2 PHE 101 HD2 PHE 101 167.699 -12.163 2.264 760 HE1 PHE 101 HE1 PHE 101 163.637 -9.621 1.148 761 HE2 PHE 101 HE2 PHE 101 165.548 -13.332 2.021 762 HZ PHE 101 HZ PHE 101 163.513 -12.061 1.462 763 H HIS 102 HN HIS 102 168.319 -7.148 4.308 764 HA HIS 102 HA HIS 102 165.793 -7.820 5.628 765 1HB HIS 102 HB2 HIS 102 167.378 -5.904 7.180 766 2HB HIS 102 HB1 HIS 102 166.412 -7.260 7.727 767 HD1 HIS 102 HD1 HIS 102 168.277 -7.696 9.488 768 HD2 HIS 102 HD2 HIS 102 169.508 -8.207 5.557 769 HE1 HIS 102 HE1 HIS 102 170.487 -8.881 9.618 770 HE2 HIS 102 HE2 HIS 102 171.155 -9.276 7.225 771 H VAL 103 HN VAL 103 164.466 -5.893 6.070 772 HA VAL 103 HA VAL 103 165.348 -3.428 4.838 773 HB VAL 103 HB VAL 103 164.448 -4.674 2.927 774 1HG1 VAL 103 HG11 VAL 103 161.957 -4.752 4.606 775 2HG1 VAL 103 HG12 VAL 103 162.821 -6.099 3.866 776 3HG1 VAL 103 HG13 VAL 103 161.931 -4.959 2.856 777 1HG2 VAL 103 HG21 VAL 103 162.638 -2.921 2.340 778 2HG2 VAL 103 HG22 VAL 103 164.293 -2.382 2.623 779 3HG2 VAL 103 HG23 VAL 103 163.076 -2.194 3.885 780 H ILE 104 HN ILE 104 164.401 -1.641 5.622 781 HA ILE 104 HA ILE 104 162.213 -2.021 7.568 782 HB ILE 104 HB ILE 104 163.931 0.413 7.689 783 1HG1 ILE 104 HG12 ILE 104 165.231 -1.099 9.486 784 2HG1 ILE 104 HG11 ILE 104 164.848 -2.346 8.301 785 1HG2 ILE 104 HG21 ILE 104 162.106 0.417 9.161 786 2HG2 ILE 104 HG22 ILE 104 163.509 0.016 10.153 787 3HG2 ILE 104 HG23 ILE 104 162.392 -1.253 9.650 788 1HD1 ILE 104 HD11 ILE 104 166.961 -1.570 7.711 789 2HD1 ILE 104 HD12 ILE 104 166.509 0.115 7.969 790 3HD1 ILE 104 HD13 ILE 104 165.867 -0.768 6.586 791 H TRP 105 HN TRP 105 160.354 -1.375 6.664 792 HA TRP 105 HA TRP 105 160.359 0.776 4.696 793 1HB TRP 105 HB2 TRP 105 158.128 -1.044 5.619 794 2HB TRP 105 HB1 TRP 105 157.989 0.145 4.331 795 HD1 TRP 105 HD1 TRP 105 159.180 -3.359 5.037 796 HE1 TRP 105 HE1 TRP 105 160.012 -4.445 2.859 797 HE3 TRP 105 HE3 TRP 105 159.207 0.773 2.015 798 HZ2 TRP 105 HZ2 TRP 105 160.598 -3.660 0.213 799 HZ3 TRP 105 HZ3 TRP 105 159.906 0.518 -0.320 800 HH2 TRP 105 HH2 TRP 105 160.596 -1.656 -1.207 801 H LYS 106 HN LYS 106 159.080 2.638 4.861 802 HA LYS 106 HA LYS 106 159.004 3.837 7.408 803 1HB LYS 106 HB2 LYS 106 158.709 4.665 4.743 804 2HB LYS 106 HB1 LYS 106 157.206 5.113 5.537 805 1HG LYS 106 HG2 LYS 106 159.233 5.872 7.304 806 2HG LYS 106 HG1 LYS 106 159.799 6.340 5.700 807 1HD LYS 106 HD2 LYS 106 158.522 8.158 5.907 808 2HD LYS 106 HD1 LYS 106 157.130 7.090 5.716 809 1HE LYS 106 HE2 LYS 106 156.500 7.875 7.717 810 2HE LYS 106 HE1 LYS 106 157.720 6.778 8.362 811 1HZ LYS 106 HZ1 LYS 106 157.764 9.678 8.138 812 2HZ LYS 106 HZ2 LYS 106 159.227 8.886 7.829 813 3HZ LYS 106 HZ3 LYS 106 158.447 8.671 9.314 814 H LYS 107 HN LYS 107 156.758 5.108 7.880 815 HA LYS 107 HA LYS 107 154.480 3.313 7.726 816 1HB LYS 107 HB2 LYS 107 154.120 3.268 10.144 817 2HB LYS 107 HB1 LYS 107 155.660 2.530 9.726 818 1HG LYS 107 HG2 LYS 107 156.781 4.663 10.322 819 2HG LYS 107 HG1 LYS 107 155.222 5.277 10.874 820 1HD LYS 107 HD2 LYS 107 156.521 2.770 11.932 821 2HD LYS 107 HD1 LYS 107 156.674 4.356 12.689 822 1HE LYS 107 HE2 LYS 107 154.616 4.261 13.575 823 2HE LYS 107 HE1 LYS 107 153.915 3.582 12.107 824 1HZ LYS 107 HZ1 LYS 107 155.302 1.499 12.967 825 2HZ LYS 107 HZ2 LYS 107 153.701 1.786 13.430 826 3HZ LYS 107 HZ3 LYS 107 154.970 2.230 14.456 Start of MODEL 19 1 H MET 1 HT1 MET 1 189.770 -5.661 10.160 2 HA MET 1 HA MET 1 190.522 -7.907 9.516 3 1HB MET 1 HB2 MET 1 189.345 -9.127 11.265 4 2HB MET 1 HB1 MET 1 187.796 -8.561 10.654 5 1HG MET 1 HG2 MET 1 188.315 -9.760 8.513 6 2HG MET 1 HG1 MET 1 189.704 -10.471 9.335 7 1HE MET 1 HE1 MET 1 186.149 -9.531 9.893 8 2HE MET 1 HE2 MET 1 186.137 -10.163 11.539 9 3HE MET 1 HE3 MET 1 185.295 -11.031 10.256 10 H THR 2 HN THR 2 190.483 -6.462 7.727 11 HA THR 2 HA THR 2 187.938 -6.359 6.266 12 HB THR 2 HB THR 2 190.301 -4.571 6.441 13 HG1 THR 2 HG1 THR 2 187.525 -4.187 6.039 14 1HG2 THR 2 HG21 THR 2 190.361 -5.116 4.050 15 2HG2 THR 2 HG22 THR 2 189.869 -3.450 4.345 16 3HG2 THR 2 HG23 THR 2 188.663 -4.661 3.913 17 H THR 3 HN THR 3 190.869 -8.010 6.367 18 HA THR 3 HA THR 3 191.050 -8.484 3.514 19 HB THR 3 HB THR 3 193.132 -8.304 4.714 20 HG1 THR 3 HG1 THR 3 192.896 -9.959 3.042 21 1HG2 THR 3 HG21 THR 3 192.630 -8.902 6.934 22 2HG2 THR 3 HG22 THR 3 193.776 -10.107 6.345 23 3HG2 THR 3 HG23 THR 3 192.060 -10.500 6.454 24 H GLU 4 HN GLU 4 190.023 -10.167 6.426 25 HA GLU 4 HA GLU 4 189.724 -12.737 5.368 26 1HB GLU 4 HB2 GLU 4 189.599 -12.125 7.789 27 2HB GLU 4 HB1 GLU 4 188.001 -11.454 7.493 28 1HG GLU 4 HG2 GLU 4 187.898 -13.696 8.455 29 2HG GLU 4 HG1 GLU 4 187.166 -13.628 6.853 30 H ILE 5 HN ILE 5 187.278 -10.166 5.719 31 HA ILE 5 HA ILE 5 185.566 -11.618 3.822 32 HB ILE 5 HB ILE 5 184.662 -9.197 5.342 33 1HG1 ILE 5 HG12 ILE 5 184.231 -11.931 6.497 34 2HG1 ILE 5 HG11 ILE 5 185.736 -11.084 6.841 35 1HG2 ILE 5 HG21 ILE 5 183.440 -10.610 3.444 36 2HG2 ILE 5 HG22 ILE 5 182.567 -9.838 4.768 37 3HG2 ILE 5 HG23 ILE 5 182.950 -11.558 4.848 38 1HD1 ILE 5 HD11 ILE 5 184.749 -9.635 8.229 39 2HD1 ILE 5 HD12 ILE 5 183.504 -10.881 8.323 40 3HD1 ILE 5 HD13 ILE 5 183.297 -9.506 7.237 41 H LYS 6 HN LYS 6 184.772 -10.648 1.973 42 HA LYS 6 HA LYS 6 186.350 -8.410 0.988 43 1HB LYS 6 HB2 LYS 6 185.414 -8.953 -1.194 44 2HB LYS 6 HB1 LYS 6 186.057 -10.401 -0.433 45 1HG LYS 6 HG2 LYS 6 183.974 -11.316 -0.096 46 2HG LYS 6 HG1 LYS 6 183.164 -9.748 -0.130 47 1HD LYS 6 HD2 LYS 6 184.429 -11.099 -2.514 48 2HD LYS 6 HD1 LYS 6 182.704 -11.108 -2.141 49 1HE LYS 6 HE2 LYS 6 182.434 -9.116 -3.088 50 2HE LYS 6 HE1 LYS 6 183.710 -8.418 -2.091 51 1HZ LYS 6 HZ1 LYS 6 184.180 -8.225 -4.466 52 2HZ LYS 6 HZ2 LYS 6 184.147 -9.909 -4.622 53 3HZ LYS 6 HZ3 LYS 6 185.343 -9.171 -3.681 54 H LYS 7 HN LYS 7 185.472 -6.477 0.209 55 HA LYS 7 HA LYS 7 182.887 -5.805 1.393 56 1HB LYS 7 HB2 LYS 7 183.554 -3.503 1.225 57 2HB LYS 7 HB1 LYS 7 184.866 -4.423 1.949 58 1HG LYS 7 HG2 LYS 7 186.277 -3.899 0.317 59 2HG LYS 7 HG1 LYS 7 185.087 -4.243 -0.945 60 1HD LYS 7 HD2 LYS 7 184.068 -1.962 0.055 61 2HD LYS 7 HD1 LYS 7 185.782 -1.693 0.374 62 1HE LYS 7 HE2 LYS 7 186.334 -1.667 -1.855 63 2HE LYS 7 HE1 LYS 7 184.965 -2.677 -2.315 64 1HZ LYS 7 HZ1 LYS 7 184.803 0.168 -1.475 65 2HZ LYS 7 HZ2 LYS 7 183.495 -0.801 -1.933 66 3HZ LYS 7 HZ3 LYS 7 184.684 -0.398 -3.066 67 H LEU 8 HN LEU 8 181.927 -3.797 0.025 68 HA LEU 8 HA LEU 8 181.594 -4.770 -2.735 69 1HB LEU 8 HB2 LEU 8 179.642 -4.355 -0.650 70 2HB LEU 8 HB1 LEU 8 179.284 -3.337 -2.032 71 HG LEU 8 HG LEU 8 179.873 -6.218 -2.507 72 1HD1 LEU 8 HD11 LEU 8 177.515 -6.778 -2.145 73 2HD1 LEU 8 HD12 LEU 8 177.236 -5.161 -1.499 74 3HD1 LEU 8 HD13 LEU 8 178.307 -6.277 -0.651 75 1HD2 LEU 8 HD21 LEU 8 177.853 -5.620 -4.116 76 2HD2 LEU 8 HD22 LEU 8 179.520 -5.207 -4.518 77 3HD2 LEU 8 HD23 LEU 8 178.447 -3.982 -3.841 78 H ASP 9 HN ASP 9 181.070 -3.163 -4.328 79 HA ASP 9 HA ASP 9 182.469 -0.678 -3.852 80 1HB ASP 9 HB2 ASP 9 181.483 -2.168 -6.214 81 2HB ASP 9 HB1 ASP 9 181.524 -0.414 -6.373 82 HA PRO 10 HA PRO 10 179.105 1.979 -2.844 83 1HB PRO 10 HB2 PRO 10 180.192 3.798 -4.943 84 2HB PRO 10 HB1 PRO 10 179.806 4.134 -3.247 85 1HG PRO 10 HG2 PRO 10 182.334 3.853 -4.031 86 2HG PRO 10 HG1 PRO 10 181.786 3.200 -2.476 87 1HD PRO 10 HD2 PRO 10 182.367 1.774 -5.033 88 2HD PRO 10 HD1 PRO 10 182.641 1.250 -3.359 89 H ASP 11 HN ASP 11 179.829 2.176 -6.338 90 HA ASP 11 HA ASP 11 177.149 2.669 -7.093 91 1HB ASP 11 HB2 ASP 11 179.158 3.235 -8.471 92 2HB ASP 11 HB1 ASP 11 179.357 1.518 -8.809 93 H THR 12 HN THR 12 178.964 -0.253 -6.541 94 HA THR 12 HA THR 12 177.173 -2.006 -7.905 95 HB THR 12 HB THR 12 179.178 -2.624 -5.726 96 HG1 THR 12 HG1 THR 12 180.481 -3.222 -7.556 97 1HG2 THR 12 HG21 THR 12 177.661 -4.476 -6.016 98 2HG2 THR 12 HG22 THR 12 179.238 -4.870 -6.702 99 3HG2 THR 12 HG23 THR 12 177.900 -4.431 -7.763 100 H ALA 13 HN ALA 13 177.604 -1.071 -4.507 101 HA ALA 13 HA ALA 13 175.637 -2.769 -3.431 102 1HB ALA 13 HB1 ALA 13 176.234 -1.861 -1.475 103 2HB ALA 13 HB2 ALA 13 175.944 -0.216 -2.043 104 3HB ALA 13 HB3 ALA 13 177.473 -1.017 -2.403 105 H ILE 14 HN ILE 14 175.468 0.489 -4.764 106 HA ILE 14 HA ILE 14 172.777 0.994 -4.012 107 HB ILE 14 HB ILE 14 174.344 2.219 -6.288 108 1HG1 ILE 14 HG12 ILE 14 173.918 3.468 -3.589 109 2HG1 ILE 14 HG11 ILE 14 175.246 2.341 -3.846 110 1HG2 ILE 14 HG21 ILE 14 171.905 3.229 -4.828 111 2HG2 ILE 14 HG22 ILE 14 171.926 2.568 -6.463 112 3HG2 ILE 14 HG23 ILE 14 172.776 4.073 -6.110 113 1HD1 ILE 14 HD11 ILE 14 175.473 4.977 -4.169 114 2HD1 ILE 14 HD12 ILE 14 174.986 4.530 -5.804 115 3HD1 ILE 14 HD13 ILE 14 176.426 3.808 -5.083 116 H ASP 15 HN ASP 15 174.187 0.194 -7.192 117 HA ASP 15 HA ASP 15 171.962 -0.068 -8.721 118 1HB ASP 15 HB2 ASP 15 174.533 -0.617 -9.161 119 2HB ASP 15 HB1 ASP 15 173.953 -2.269 -8.972 120 H ILE 16 HN ILE 16 173.252 -2.563 -6.540 121 HA ILE 16 HA ILE 16 171.174 -4.435 -7.129 122 HB ILE 16 HB ILE 16 172.978 -4.389 -4.705 123 1HG1 ILE 16 HG12 ILE 16 173.567 -6.203 -6.966 124 2HG1 ILE 16 HG11 ILE 16 173.864 -4.491 -7.269 125 1HG2 ILE 16 HG21 ILE 16 170.796 -5.928 -5.109 126 2HG2 ILE 16 HG22 ILE 16 172.205 -6.438 -4.177 127 3HG2 ILE 16 HG23 ILE 16 172.041 -6.923 -5.865 128 1HD1 ILE 16 HD11 ILE 16 175.897 -5.207 -6.482 129 2HD1 ILE 16 HD12 ILE 16 175.178 -6.328 -5.327 130 3HD1 ILE 16 HD13 ILE 16 175.143 -4.593 -5.011 131 H ALA 17 HN ALA 17 171.750 -2.030 -4.613 132 HA ALA 17 HA ALA 17 169.628 -2.713 -2.908 133 1HB ALA 17 HB1 ALA 17 171.442 -0.453 -3.253 134 2HB ALA 17 HB2 ALA 17 170.835 -1.207 -1.779 135 3HB ALA 17 HB3 ALA 17 169.861 0.001 -2.617 136 H TYR 18 HN TYR 18 169.799 -0.332 -5.543 137 HA TYR 18 HA TYR 18 167.195 0.632 -5.397 138 1HB TYR 18 HB2 TYR 18 169.122 1.495 -6.824 139 2HB TYR 18 HB1 TYR 18 168.712 0.229 -7.977 140 HD1 TYR 18 HD1 TYR 18 167.809 3.480 -6.642 141 HD2 TYR 18 HD2 TYR 18 166.537 0.298 -9.163 142 HE1 TYR 18 HE1 TYR 18 166.139 4.967 -7.666 143 HE2 TYR 18 HE2 TYR 18 164.865 1.775 -10.195 144 HH TYR 18 HH TYR 18 163.610 3.854 -9.574 145 H ASP 19 HN ASP 19 168.497 -2.154 -7.154 146 HA ASP 19 HA ASP 19 166.128 -2.895 -8.471 147 1HB ASP 19 HB2 ASP 19 168.705 -3.806 -8.482 148 2HB ASP 19 HB1 ASP 19 167.881 -5.110 -7.622 149 H ILE 20 HN ILE 20 167.352 -3.560 -5.251 150 HA ILE 20 HA ILE 20 165.482 -5.565 -4.544 151 HB ILE 20 HB ILE 20 167.055 -3.646 -2.817 152 1HG1 ILE 20 HG12 ILE 20 167.530 -6.600 -3.078 153 2HG1 ILE 20 HG11 ILE 20 168.177 -5.486 -4.286 154 1HG2 ILE 20 HG21 ILE 20 165.093 -4.373 -1.595 155 2HG2 ILE 20 HG22 ILE 20 166.535 -5.150 -0.942 156 3HG2 ILE 20 HG23 ILE 20 165.444 -6.057 -1.989 157 1HD1 ILE 20 HD11 ILE 20 169.751 -4.689 -2.888 158 2HD1 ILE 20 HD12 ILE 20 169.508 -6.239 -2.083 159 3HD1 ILE 20 HD13 ILE 20 168.705 -4.790 -1.473 160 H PHE 21 HN PHE 21 165.530 -2.040 -4.066 161 HA PHE 21 HA PHE 21 163.242 -1.743 -2.548 162 1HB PHE 21 HB2 PHE 21 164.890 0.035 -3.081 163 2HB PHE 21 HB1 PHE 21 164.258 0.102 -4.719 164 HD1 PHE 21 HD1 PHE 21 162.157 -0.307 -1.716 165 HD2 PHE 21 HD2 PHE 21 163.606 2.371 -4.688 166 HE1 PHE 21 HE1 PHE 21 160.503 1.372 -1.005 167 HE2 PHE 21 HE2 PHE 21 161.961 4.056 -3.979 168 HZ PHE 21 HZ PHE 21 160.405 3.556 -2.136 169 H LEU 22 HN LEU 22 163.466 -1.362 -6.089 170 HA LEU 22 HA LEU 22 160.691 -1.174 -6.497 171 1HB LEU 22 HB2 LEU 22 162.982 -1.845 -8.319 172 2HB LEU 22 HB1 LEU 22 161.325 -1.801 -8.899 173 HG LEU 22 HG LEU 22 162.637 0.279 -9.330 174 1HD1 LEU 22 HD11 LEU 22 160.678 1.309 -9.385 175 2HD1 LEU 22 HD12 LEU 22 160.603 1.383 -7.625 176 3HD1 LEU 22 HD13 LEU 22 160.006 -0.042 -8.474 177 1HD2 LEU 22 HD21 LEU 22 163.115 1.793 -7.517 178 2HD2 LEU 22 HD22 LEU 22 163.909 0.249 -7.205 179 3HD2 LEU 22 HD23 LEU 22 162.425 0.667 -6.347 180 H GLU 23 HN GLU 23 162.600 -3.912 -5.779 181 HA GLU 23 HA GLU 23 160.777 -5.753 -7.099 182 1HB GLU 23 HB2 GLU 23 162.833 -6.653 -7.396 183 2HB GLU 23 HB1 GLU 23 163.490 -5.896 -5.955 184 1HG GLU 23 HG2 GLU 23 162.819 -7.613 -4.579 185 2HG GLU 23 HG1 GLU 23 161.575 -8.164 -5.697 186 H MET 24 HN MET 24 162.051 -5.390 -3.764 187 HA MET 24 HA MET 24 159.951 -7.077 -2.747 188 1HB MET 24 HB2 MET 24 161.037 -6.488 -0.520 189 2HB MET 24 HB1 MET 24 162.003 -7.386 -1.682 190 1HG MET 24 HG2 MET 24 163.484 -5.729 -1.948 191 2HG MET 24 HG1 MET 24 162.254 -4.469 -1.845 192 1HE MET 24 HE1 MET 24 161.777 -6.477 1.569 193 2HE MET 24 HE2 MET 24 163.487 -6.698 1.939 194 3HE MET 24 HE3 MET 24 162.814 -7.362 0.450 195 H ALA 25 HN ALA 25 160.700 -3.610 -2.629 196 HA ALA 25 HA ALA 25 158.884 -2.832 -0.682 197 1HB ALA 25 HB1 ALA 25 159.310 -1.142 -3.113 198 2HB ALA 25 HB2 ALA 25 160.635 -1.452 -1.993 199 3HB ALA 25 HB3 ALA 25 159.169 -0.658 -1.423 200 H GLY 26 HN GLY 26 156.772 -1.988 -0.757 201 1HA GLY 26 HA2 GLY 26 154.979 -1.564 -2.649 202 2HA GLY 26 HA1 GLY 26 155.096 -3.314 -2.748 203 H GLU 27 HN GLU 27 153.751 -4.452 -1.526 204 HA GLU 27 HA GLU 27 151.946 -3.130 0.257 205 1HB GLU 27 HB2 GLU 27 152.152 -5.718 -1.023 206 2HB GLU 27 HB1 GLU 27 151.675 -5.885 0.661 207 1HG GLU 27 HG2 GLU 27 149.914 -4.116 0.166 208 2HG GLU 27 HG1 GLU 27 150.279 -4.398 -1.535 209 H ASN 28 HN ASN 28 155.071 -4.114 0.718 210 HA ASN 28 HA ASN 28 154.669 -4.936 3.499 211 1HB ASN 28 HB2 ASN 28 157.369 -4.758 2.205 212 2HB ASN 28 HB1 ASN 28 156.805 -5.855 3.471 213 1HD2 ASN 28 HD21 ASN 28 155.550 -7.653 2.893 214 2HD2 ASN 28 HD22 ASN 28 155.547 -8.270 1.279 215 H LEU 29 HN LEU 29 155.142 -2.122 1.780 216 HA LEU 29 HA LEU 29 156.687 -0.876 3.914 217 1HB LEU 29 HB2 LEU 29 157.787 -0.333 1.989 218 2HB LEU 29 HB1 LEU 29 156.326 -0.326 1.031 219 HG LEU 29 HG LEU 29 156.433 1.858 2.982 220 1HD1 LEU 29 HD11 LEU 29 158.696 1.394 1.133 221 2HD1 LEU 29 HD12 LEU 29 158.645 2.240 2.680 222 3HD1 LEU 29 HD13 LEU 29 158.051 3.032 1.221 223 1HD2 LEU 29 HD21 LEU 29 154.819 2.284 1.445 224 2HD2 LEU 29 HD22 LEU 29 155.610 1.327 0.197 225 3HD2 LEU 29 HD23 LEU 29 156.161 2.965 0.528 226 H ASP 30 HN ASP 30 153.624 -0.945 2.475 227 HA ASP 30 HA ASP 30 151.658 -0.348 3.670 228 1HB ASP 30 HB2 ASP 30 153.066 0.606 5.549 229 2HB ASP 30 HB1 ASP 30 153.111 2.114 4.641 230 HA PRO 31 HA PRO 31 150.094 1.753 0.125 231 1HB PRO 31 HB2 PRO 31 148.074 3.142 1.581 232 2HB PRO 31 HB1 PRO 31 147.902 1.656 0.638 233 1HG PRO 31 HG2 PRO 31 148.260 2.015 3.558 234 2HG PRO 31 HG1 PRO 31 147.443 0.715 2.672 235 1HD PRO 31 HD2 PRO 31 149.821 0.330 3.843 236 2HD PRO 31 HD1 PRO 31 149.424 -0.434 2.285 237 H ALA 32 HN ALA 32 149.846 3.864 3.007 238 HA ALA 32 HA ALA 32 150.073 6.296 1.763 239 1HB ALA 32 HB1 ALA 32 150.499 7.222 3.836 240 2HB ALA 32 HB2 ALA 32 151.499 5.865 4.354 241 3HB ALA 32 HB3 ALA 32 149.747 5.686 4.270 242 H ASP 33 HN ASP 33 152.787 4.512 3.209 243 HA ASP 33 HA ASP 33 154.812 6.189 2.262 244 1HB ASP 33 HB2 ASP 33 154.766 3.333 3.172 245 2HB ASP 33 HB1 ASP 33 156.238 3.988 2.455 246 H ILE 34 HN ILE 34 153.022 3.666 0.654 247 HA ILE 34 HA ILE 34 154.798 3.367 -1.571 248 HB ILE 34 HB ILE 34 151.848 2.730 -1.340 249 1HG1 ILE 34 HG12 ILE 34 154.075 0.720 -1.443 250 2HG1 ILE 34 HG11 ILE 34 153.627 1.478 0.084 251 1HG2 ILE 34 HG21 ILE 34 153.825 2.040 -3.504 252 2HG2 ILE 34 HG22 ILE 34 152.384 3.047 -3.653 253 3HG2 ILE 34 HG23 ILE 34 152.224 1.318 -3.346 254 1HD1 ILE 34 HD11 ILE 34 152.375 -0.686 -1.311 255 2HD1 ILE 34 HD12 ILE 34 151.229 0.632 -1.068 256 3HD1 ILE 34 HD13 ILE 34 152.069 -0.072 0.313 257 H LEU 35 HN LEU 35 151.756 5.087 -1.028 258 HA LEU 35 HA LEU 35 151.294 6.252 -3.444 259 1HB LEU 35 HB2 LEU 35 149.823 6.479 -1.508 260 2HB LEU 35 HB1 LEU 35 150.995 7.517 -0.720 261 HG LEU 35 HG LEU 35 150.626 8.946 -2.950 262 1HD1 LEU 35 HD11 LEU 35 148.957 7.149 -3.694 263 2HD1 LEU 35 HD12 LEU 35 148.466 8.838 -3.822 264 3HD1 LEU 35 HD13 LEU 35 147.877 7.847 -2.487 265 1HD2 LEU 35 HD21 LEU 35 148.584 9.114 -0.765 266 2HD2 LEU 35 HD22 LEU 35 149.365 10.418 -1.659 267 3HD2 LEU 35 HD23 LEU 35 150.280 9.495 -0.468 268 H LEU 36 HN LEU 36 153.006 7.986 -0.834 269 HA LEU 36 HA LEU 36 153.942 10.086 -2.378 270 1HB LEU 36 HB2 LEU 36 153.994 9.963 0.101 271 2HB LEU 36 HB1 LEU 36 155.335 8.839 -0.009 272 HG LEU 36 HG LEU 36 156.615 10.662 -1.213 273 1HD1 LEU 36 HD11 LEU 36 154.248 11.907 -1.452 274 2HD1 LEU 36 HD12 LEU 36 155.799 12.747 -1.479 275 3HD1 LEU 36 HD13 LEU 36 154.855 12.685 0.010 276 1HD2 LEU 36 HD21 LEU 36 156.411 10.062 1.418 277 2HD2 LEU 36 HD22 LEU 36 155.998 11.777 1.436 278 3HD2 LEU 36 HD23 LEU 36 157.536 11.248 0.754 279 H PHE 37 HN PHE 37 155.302 6.887 -1.931 280 HA PHE 37 HA PHE 37 157.815 7.411 -3.138 281 1HB PHE 37 HB2 PHE 37 157.730 5.488 -1.778 282 2HB PHE 37 HB1 PHE 37 156.267 4.895 -2.553 283 HD1 PHE 37 HD1 PHE 37 159.318 6.114 -4.260 284 HD2 PHE 37 HD2 PHE 37 156.956 2.742 -3.186 285 HE1 PHE 37 HE1 PHE 37 160.675 4.693 -5.739 286 HE2 PHE 37 HE2 PHE 37 158.310 1.317 -4.663 287 HZ PHE 37 HZ PHE 37 160.172 2.293 -5.943 288 H ASN 38 HN ASN 38 154.671 6.489 -4.386 289 HA ASN 38 HA ASN 38 155.659 5.866 -7.013 290 1HB ASN 38 HB2 ASN 38 153.102 5.736 -5.603 291 2HB ASN 38 HB1 ASN 38 152.938 6.224 -7.288 292 1HD2 ASN 38 HD21 ASN 38 155.088 3.972 -5.584 293 2HD2 ASN 38 HD22 ASN 38 154.719 2.600 -6.584 294 H LEU 39 HN LEU 39 153.383 8.382 -5.888 295 HA LEU 39 HA LEU 39 153.277 9.847 -8.219 296 1HB LEU 39 HB2 LEU 39 153.054 10.794 -5.369 297 2HB LEU 39 HB1 LEU 39 152.685 11.801 -6.753 298 HG LEU 39 HG LEU 39 150.592 11.066 -6.127 299 1HD1 LEU 39 HD11 LEU 39 149.791 9.844 -7.889 300 2HD1 LEU 39 HD12 LEU 39 151.146 8.715 -7.867 301 3HD1 LEU 39 HD13 LEU 39 151.360 10.337 -8.525 302 1HD2 LEU 39 HD21 LEU 39 150.066 9.103 -5.045 303 2HD2 LEU 39 HD22 LEU 39 151.715 9.397 -4.488 304 3HD2 LEU 39 HD23 LEU 39 151.411 8.219 -5.767 305 H GLN 40 HN GLN 40 155.895 9.712 -5.944 306 HA GLN 40 HA GLN 40 157.367 11.560 -7.650 307 1HB GLN 40 HB2 GLN 40 158.327 12.407 -5.265 308 2HB GLN 40 HB1 GLN 40 157.069 13.230 -6.172 309 1HG GLN 40 HG2 GLN 40 155.851 11.233 -4.555 310 2HG GLN 40 HG1 GLN 40 156.955 12.170 -3.556 311 1HE2 GLN 40 HE21 GLN 40 156.560 14.364 -3.231 312 2HE2 GLN 40 HE22 GLN 40 155.038 15.089 -3.607 313 H PHE 41 HN PHE 41 159.090 10.554 -8.276 314 HA PHE 41 HA PHE 41 161.038 9.517 -6.509 315 1HB PHE 41 HB2 PHE 41 159.252 7.652 -6.612 316 2HB PHE 41 HB1 PHE 41 159.834 7.380 -8.257 317 HD1 PHE 41 HD1 PHE 41 161.483 5.809 -8.554 318 HD2 PHE 41 HD2 PHE 41 161.190 7.798 -4.803 319 HE1 PHE 41 HE1 PHE 41 163.312 4.416 -7.675 320 HE2 PHE 41 HE2 PHE 41 163.018 6.410 -3.919 321 HZ PHE 41 HZ PHE 41 164.085 4.717 -5.355 322 H GLU 42 HN GLU 42 159.781 9.083 -9.814 323 HA GLU 42 HA GLU 42 162.253 8.822 -11.095 324 1HB GLU 42 HB2 GLU 42 160.201 8.257 -12.237 325 2HB GLU 42 HB1 GLU 42 159.618 9.910 -12.096 326 1HG GLU 42 HG2 GLU 42 161.264 10.695 -13.634 327 2HG GLU 42 HG1 GLU 42 162.062 9.123 -13.661 328 H GLU 43 HN GLU 43 160.421 11.638 -10.118 329 HA GLU 43 HA GLU 43 162.302 13.459 -11.391 330 1HB GLU 43 HB2 GLU 43 159.909 13.974 -11.498 331 2HB GLU 43 HB1 GLU 43 159.830 14.014 -9.743 332 1HG GLU 43 HG2 GLU 43 161.182 15.965 -9.645 333 2HG GLU 43 HG1 GLU 43 161.571 15.852 -11.361 334 H ARG 44 HN ARG 44 161.157 12.681 -8.110 335 HA ARG 44 HA ARG 44 163.588 13.983 -7.065 336 1HB ARG 44 HB2 ARG 44 160.809 13.838 -5.908 337 2HB ARG 44 HB1 ARG 44 162.212 14.250 -4.932 338 1HG ARG 44 HG2 ARG 44 162.337 15.899 -7.196 339 2HG ARG 44 HG1 ARG 44 160.652 15.908 -6.673 340 1HD ARG 44 HD2 ARG 44 162.428 16.120 -4.411 341 2HD ARG 44 HD1 ARG 44 162.777 17.376 -5.598 342 HE ARG 44 HE ARG 44 160.433 17.148 -3.951 343 1HH1 ARG 44 HH11 ARG 44 161.731 18.456 -6.915 344 2HH1 ARG 44 HH12 ARG 44 160.555 19.723 -7.016 345 1HH2 ARG 44 HH21 ARG 44 158.886 18.814 -4.083 346 2HH2 ARG 44 HH22 ARG 44 158.940 19.927 -5.409 347 H GLY 45 HN GLY 45 164.010 11.491 -7.801 348 1HA GLY 45 HA2 GLY 45 163.791 9.912 -5.310 349 2HA GLY 45 HA1 GLY 45 163.756 9.189 -6.913 350 H GLY 46 HN GLY 46 165.626 9.606 -4.290 351 1HA GLY 46 HA2 GLY 46 168.052 9.061 -5.830 352 2HA GLY 46 HA1 GLY 46 168.094 10.405 -4.699 353 H VAL 47 HN VAL 47 169.376 7.598 -4.875 354 HA VAL 47 HA VAL 47 168.671 6.788 -2.131 355 HB VAL 47 HB VAL 47 169.808 4.536 -3.005 356 1HG1 VAL 47 HG11 VAL 47 167.167 4.404 -4.039 357 2HG1 VAL 47 HG12 VAL 47 167.149 5.486 -2.644 358 3HG1 VAL 47 HG13 VAL 47 167.770 3.843 -2.479 359 1HG2 VAL 47 HG21 VAL 47 168.409 5.326 -5.523 360 2HG2 VAL 47 HG22 VAL 47 169.632 4.084 -5.255 361 3HG2 VAL 47 HG23 VAL 47 170.096 5.785 -5.289 362 H GLU 48 HN GLU 48 170.230 6.945 -0.666 363 HA GLU 48 HA GLU 48 172.991 7.333 -1.610 364 1HB GLU 48 HB2 GLU 48 171.888 9.195 -0.323 365 2HB GLU 48 HB1 GLU 48 171.844 8.123 1.070 366 1HG GLU 48 HG2 GLU 48 173.725 9.597 1.255 367 2HG GLU 48 HG1 GLU 48 174.298 7.951 0.983 368 H PHE 49 HN PHE 49 174.570 5.972 -0.994 369 HA PHE 49 HA PHE 49 173.813 3.625 0.536 370 1HB PHE 49 HB2 PHE 49 175.098 3.338 -1.533 371 2HB PHE 49 HB1 PHE 49 176.403 4.316 -0.869 372 HD1 PHE 49 HD1 PHE 49 174.375 1.363 0.188 373 HD2 PHE 49 HD2 PHE 49 178.224 3.149 -0.134 374 HE1 PHE 49 HE1 PHE 49 175.389 -0.657 1.159 375 HE2 PHE 49 HE2 PHE 49 179.246 1.132 0.836 376 HZ PHE 49 HZ PHE 49 177.827 -0.773 1.484 377 H VAL 50 HN VAL 50 174.596 3.055 2.507 378 HA VAL 50 HA VAL 50 176.512 4.866 3.803 379 HB VAL 50 HB VAL 50 175.039 4.249 5.947 380 1HG1 VAL 50 HG11 VAL 50 174.602 6.509 4.013 381 2HG1 VAL 50 HG12 VAL 50 175.633 6.486 5.444 382 3HG1 VAL 50 HG13 VAL 50 173.878 6.454 5.620 383 1HG2 VAL 50 HG21 VAL 50 172.851 3.809 5.614 384 2HG2 VAL 50 HG22 VAL 50 173.422 3.172 4.073 385 3HG2 VAL 50 HG23 VAL 50 172.764 4.805 4.161 386 H GLU 51 HN GLU 51 177.134 3.825 6.055 387 HA GLU 51 HA GLU 51 177.742 0.996 5.515 388 1HB GLU 51 HB2 GLU 51 179.604 2.831 5.720 389 2HB GLU 51 HB1 GLU 51 179.311 2.667 7.446 390 1HG GLU 51 HG2 GLU 51 179.861 0.316 7.352 391 2HG GLU 51 HG1 GLU 51 180.060 0.409 5.602 392 H THR 52 HN THR 52 177.590 -0.500 7.212 393 HA THR 52 HA THR 52 175.422 -0.463 8.822 394 HB THR 52 HB THR 52 178.056 -1.744 9.553 395 HG1 THR 52 HG1 THR 52 177.519 -2.490 7.569 396 1HG2 THR 52 HG21 THR 52 175.244 -2.487 10.336 397 2HG2 THR 52 HG22 THR 52 176.506 -1.870 11.406 398 3HG2 THR 52 HG23 THR 52 176.687 -3.453 10.651 399 H ALA 53 HN ALA 53 175.162 -0.327 11.156 400 HA ALA 53 HA ALA 53 176.492 2.063 12.211 401 1HB ALA 53 HB1 ALA 53 174.560 2.541 13.292 402 2HB ALA 53 HB2 ALA 53 174.232 0.844 13.663 403 3HB ALA 53 HB3 ALA 53 173.870 1.487 12.056 404 H ASP 54 HN ASP 54 175.876 1.654 14.907 405 HA ASP 54 HA ASP 54 177.919 -0.296 15.638 406 1HB ASP 54 HB2 ASP 54 176.719 2.106 16.936 407 2HB ASP 54 HB1 ASP 54 177.295 0.819 17.991 408 H ASP 55 HN ASP 55 175.536 -1.329 14.651 409 HA ASP 55 HA ASP 55 174.168 -3.089 15.103 410 1HB ASP 55 HB2 ASP 55 174.856 -2.867 18.029 411 2HB ASP 55 HB1 ASP 55 174.291 -4.283 17.148 412 H TRP 56 HN TRP 56 172.070 -2.707 14.910 413 HA TRP 56 HA TRP 56 170.786 -1.055 16.973 414 1HB TRP 56 HB2 TRP 56 169.162 -0.564 14.879 415 2HB TRP 56 HB1 TRP 56 170.512 0.464 15.341 416 HD1 TRP 56 HD1 TRP 56 172.960 -0.590 13.980 417 HE1 TRP 56 HE1 TRP 56 173.131 -0.843 11.424 418 HE3 TRP 56 HE3 TRP 56 167.983 -0.825 12.856 419 HZ2 TRP 56 HZ2 TRP 56 171.383 -1.094 9.222 420 HZ3 TRP 56 HZ3 TRP 56 167.312 -1.079 10.508 421 HH2 TRP 56 HH2 TRP 56 168.971 -1.216 8.724 422 H GLU 57 HN GLU 57 170.881 -3.748 17.233 423 HA GLU 57 HA GLU 57 168.780 -5.223 16.125 424 1HB GLU 57 HB2 GLU 57 169.965 -5.525 18.891 425 2HB GLU 57 HB1 GLU 57 169.052 -6.748 18.018 426 1HG GLU 57 HG2 GLU 57 170.771 -7.113 16.488 427 2HG GLU 57 HG1 GLU 57 171.575 -5.596 16.891 428 H GLU 58 HN GLU 58 167.197 -3.365 16.164 429 HA GLU 58 HA GLU 58 165.302 -3.801 18.300 430 1HB GLU 58 HB2 GLU 58 167.052 -1.547 18.349 431 2HB GLU 58 HB1 GLU 58 165.424 -0.971 18.024 432 1HG GLU 58 HG2 GLU 58 165.610 -0.912 20.341 433 2HG GLU 58 HG1 GLU 58 164.705 -2.389 20.014 434 H GLU 59 HN GLU 59 166.133 -1.861 15.443 435 HA GLU 59 HA GLU 59 163.410 -1.372 14.699 436 1HB GLU 59 HB2 GLU 59 166.061 -1.027 13.317 437 2HB GLU 59 HB1 GLU 59 164.553 -0.773 12.455 438 1HG GLU 59 HG2 GLU 59 165.610 0.750 14.812 439 2HG GLU 59 HG1 GLU 59 165.320 1.336 13.173 440 H ILE 60 HN ILE 60 165.955 -3.110 12.964 441 HA ILE 60 HA ILE 60 164.152 -4.612 11.367 442 HB ILE 60 HB ILE 60 166.420 -6.015 11.079 443 1HG1 ILE 60 HG12 ILE 60 167.611 -3.327 11.588 444 2HG1 ILE 60 HG11 ILE 60 167.310 -4.366 12.983 445 1HG2 ILE 60 HG21 ILE 60 166.327 -3.282 9.870 446 2HG2 ILE 60 HG22 ILE 60 165.080 -4.470 9.490 447 3HG2 ILE 60 HG23 ILE 60 166.770 -4.820 9.129 448 1HD1 ILE 60 HD11 ILE 60 169.027 -5.004 10.603 449 2HD1 ILE 60 HD12 ILE 60 168.669 -6.117 11.925 450 3HD1 ILE 60 HD13 ILE 60 169.563 -4.629 12.241 451 H GLY 61 HN GLY 61 166.278 -5.524 14.084 452 1HA GLY 61 HA2 GLY 61 165.652 -7.036 15.797 453 2HA GLY 61 HA1 GLY 61 164.405 -7.680 14.738 454 H VAL 62 HN VAL 62 167.932 -7.463 15.087 455 HA VAL 62 HA VAL 62 168.484 -10.153 14.966 456 HB VAL 62 HB VAL 62 167.549 -10.146 12.692 457 1HG1 VAL 62 HG11 VAL 62 167.881 -8.002 11.851 458 2HG1 VAL 62 HG12 VAL 62 168.995 -8.997 10.914 459 3HG1 VAL 62 HG13 VAL 62 169.600 -8.013 12.246 460 1HG2 VAL 62 HG21 VAL 62 169.221 -11.437 11.701 461 2HG2 VAL 62 HG22 VAL 62 169.551 -11.567 13.429 462 3HG2 VAL 62 HG23 VAL 62 170.514 -10.482 12.427 463 H LEU 63 HN LEU 63 170.669 -10.538 15.251 464 HA LEU 63 HA LEU 63 172.293 -8.535 16.184 465 1HB LEU 63 HB2 LEU 63 172.976 -11.207 14.981 466 2HB LEU 63 HB1 LEU 63 174.196 -10.157 15.675 467 HG LEU 63 HG LEU 63 171.919 -10.645 17.456 468 1HD1 LEU 63 HD11 LEU 63 172.578 -12.925 18.029 469 2HD1 LEU 63 HD12 LEU 63 173.722 -12.935 16.687 470 3HD1 LEU 63 HD13 LEU 63 171.991 -12.824 16.369 471 1HD2 LEU 63 HD21 LEU 63 174.855 -11.124 17.896 472 2HD2 LEU 63 HD22 LEU 63 173.609 -10.796 19.100 473 3HD2 LEU 63 HD23 LEU 63 174.119 -9.524 17.991 474 H ILE 64 HN ILE 64 173.331 -6.902 15.284 475 HA ILE 64 HA ILE 64 173.777 -6.927 12.381 476 HB ILE 64 HB ILE 64 173.611 -4.643 14.349 477 1HG1 ILE 64 HG12 ILE 64 171.476 -5.694 13.590 478 2HG1 ILE 64 HG11 ILE 64 171.635 -4.001 13.132 479 1HG2 ILE 64 HG21 ILE 64 173.700 -3.309 12.091 480 2HG2 ILE 64 HG22 ILE 64 174.611 -4.718 11.545 481 3HG2 ILE 64 HG23 ILE 64 175.183 -3.778 12.923 482 1HD1 ILE 64 HD11 ILE 64 171.059 -6.184 11.479 483 2HD1 ILE 64 HD12 ILE 64 172.687 -5.656 11.054 484 3HD1 ILE 64 HD13 ILE 64 171.348 -4.510 11.005 485 H ASP 65 HN ASP 65 175.773 -6.899 11.547 486 HA ASP 65 HA ASP 65 178.033 -6.569 13.404 487 1HB ASP 65 HB2 ASP 65 177.387 -8.791 11.850 488 2HB ASP 65 HB1 ASP 65 178.692 -8.005 10.967 489 HA PRO 66 HA PRO 66 178.694 -2.982 10.761 490 1HB PRO 66 HB2 PRO 66 180.960 -2.140 12.055 491 2HB PRO 66 HB1 PRO 66 179.313 -1.758 12.578 492 1HG PRO 66 HG2 PRO 66 181.177 -3.874 13.575 493 2HG PRO 66 HG1 PRO 66 180.087 -2.815 14.490 494 1HD PRO 66 HD2 PRO 66 179.471 -5.380 13.969 495 2HD PRO 66 HD1 PRO 66 178.230 -4.111 14.021 496 H GLU 67 HN GLU 67 180.149 -2.374 9.167 497 HA GLU 67 HA GLU 67 181.671 -2.675 7.514 498 1HB GLU 67 HB2 GLU 67 183.102 -3.800 9.889 499 2HB GLU 67 HB1 GLU 67 183.826 -3.939 8.293 500 1HG GLU 67 HG2 GLU 67 183.840 -1.551 8.032 501 2HG GLU 67 HG1 GLU 67 182.956 -1.344 9.544 502 H GLU 68 HN GLU 68 179.762 -5.030 8.499 503 HA GLU 68 HA GLU 68 180.936 -7.018 6.679 504 1HB GLU 68 HB2 GLU 68 179.266 -7.443 9.157 505 2HB GLU 68 HB1 GLU 68 179.659 -8.722 8.007 506 1HG GLU 68 HG2 GLU 68 181.828 -8.840 8.660 507 2HG GLU 68 HG1 GLU 68 181.900 -7.126 9.090 508 H TYR 69 HN TYR 69 178.321 -4.934 7.248 509 HA TYR 69 HA TYR 69 176.802 -6.278 5.120 510 1HB TYR 69 HB2 TYR 69 175.639 -4.947 7.579 511 2HB TYR 69 HB1 TYR 69 174.695 -5.538 6.207 512 HD1 TYR 69 HD1 TYR 69 176.198 -6.368 9.342 513 HD2 TYR 69 HD2 TYR 69 174.796 -8.046 5.690 514 HE1 TYR 69 HE1 TYR 69 176.056 -8.573 10.416 515 HE2 TYR 69 HE2 TYR 69 174.660 -10.254 6.750 516 HH TYR 69 HH TYR 69 175.789 -11.419 8.744 517 H ALA 70 HN ALA 70 176.060 -5.012 3.512 518 HA ALA 70 HA ALA 70 176.909 -2.227 3.515 519 1HB ALA 70 HB1 ALA 70 177.304 -3.814 1.576 520 2HB ALA 70 HB2 ALA 70 176.568 -2.263 1.169 521 3HB ALA 70 HB3 ALA 70 175.571 -3.715 1.263 522 H GLU 71 HN GLU 71 175.543 -0.685 4.179 523 HA GLU 71 HA GLU 71 172.669 -1.267 4.020 524 1HB GLU 71 HB2 GLU 71 172.341 0.339 5.805 525 2HB GLU 71 HB1 GLU 71 173.534 -0.859 6.283 526 1HG GLU 71 HG2 GLU 71 175.315 0.666 5.990 527 2HG GLU 71 HG1 GLU 71 174.269 1.835 5.189 528 H VAL 72 HN VAL 72 171.277 0.043 3.000 529 HA VAL 72 HA VAL 72 172.316 2.515 1.811 530 HB VAL 72 HB VAL 72 172.401 0.675 0.133 531 1HG1 VAL 72 HG11 VAL 72 170.734 -0.801 0.151 532 2HG1 VAL 72 HG12 VAL 72 169.789 0.412 -0.711 533 3HG1 VAL 72 HG13 VAL 72 169.671 0.285 1.041 534 1HG2 VAL 72 HG21 VAL 72 172.080 3.094 -0.441 535 2HG2 VAL 72 HG22 VAL 72 170.352 2.766 -0.575 536 3HG2 VAL 72 HG23 VAL 72 171.489 1.960 -1.655 537 H TRP 73 HN TRP 73 170.858 4.164 1.611 538 HA TRP 73 HA TRP 73 168.255 3.702 2.898 539 1HB TRP 73 HB2 TRP 73 170.145 6.000 2.851 540 2HB TRP 73 HB1 TRP 73 168.425 6.370 2.928 541 HD1 TRP 73 HD1 TRP 73 169.358 3.203 4.702 542 HE1 TRP 73 HE1 TRP 73 169.307 3.583 7.246 543 HE3 TRP 73 HE3 TRP 73 168.948 8.300 4.756 544 HZ2 TRP 73 HZ2 TRP 73 169.118 5.750 9.035 545 HZ3 TRP 73 HZ3 TRP 73 168.838 9.449 6.929 546 HH2 TRP 73 HH2 TRP 73 168.921 8.199 9.025 547 H VAL 74 HN VAL 74 166.359 4.444 1.971 548 HA VAL 74 HA VAL 74 166.556 5.460 -0.781 549 HB VAL 74 HB VAL 74 164.556 3.410 0.183 550 1HG1 VAL 74 HG11 VAL 74 163.354 3.948 -1.599 551 2HG1 VAL 74 HG12 VAL 74 164.727 3.592 -2.647 552 3HG1 VAL 74 HG13 VAL 74 164.508 5.219 -2.001 553 1HG2 VAL 74 HG21 VAL 74 165.896 1.766 -0.517 554 2HG2 VAL 74 HG22 VAL 74 167.192 2.960 -0.474 555 3HG2 VAL 74 HG23 VAL 74 166.340 2.635 -1.984 556 H GLY 75 HN GLY 75 165.949 7.515 -0.452 557 1HA GLY 75 HA2 GLY 75 163.405 7.959 0.992 558 2HA GLY 75 HA1 GLY 75 164.731 9.107 0.995 559 H LEU 76 HN LEU 76 163.820 10.840 0.109 560 HA LEU 76 HA LEU 76 163.077 10.674 -2.712 561 1HB LEU 76 HB2 LEU 76 161.105 10.850 -0.732 562 2HB LEU 76 HB1 LEU 76 161.296 12.498 -1.292 563 HG LEU 76 HG LEU 76 160.557 11.983 -3.451 564 1HD1 LEU 76 HD11 LEU 76 161.659 9.358 -2.880 565 2HD1 LEU 76 HD12 LEU 76 161.423 10.175 -4.423 566 3HD1 LEU 76 HD13 LEU 76 160.094 9.277 -3.687 567 1HD2 LEU 76 HD21 LEU 76 158.580 10.231 -2.842 568 2HD2 LEU 76 HD22 LEU 76 158.547 11.950 -2.445 569 3HD2 LEU 76 HD23 LEU 76 159.055 10.776 -1.232 570 H VAL 77 HN VAL 77 165.419 11.535 -1.932 571 HA VAL 77 HA VAL 77 165.905 14.063 -1.042 572 HB VAL 77 HB VAL 77 167.964 14.071 -2.331 573 1HG1 VAL 77 HG11 VAL 77 167.071 11.870 -0.694 574 2HG1 VAL 77 HG12 VAL 77 168.633 12.687 -0.725 575 3HG1 VAL 77 HG13 VAL 77 168.315 11.352 -1.832 576 1HG2 VAL 77 HG21 VAL 77 167.097 13.334 -4.478 577 2HG2 VAL 77 HG22 VAL 77 166.777 11.729 -3.819 578 3HG2 VAL 77 HG23 VAL 77 168.437 12.304 -3.973 579 H ASN 78 HN ASN 78 166.866 15.877 -2.478 580 HA ASN 78 HA ASN 78 164.720 16.746 -4.247 581 1HB ASN 78 HB2 ASN 78 167.114 18.356 -3.355 582 2HB ASN 78 HB1 ASN 78 165.580 18.957 -3.975 583 1HD2 ASN 78 HD21 ASN 78 167.353 18.092 -1.231 584 2HD2 ASN 78 HD22 ASN 78 166.094 18.263 -0.062 585 H GLU 79 HN GLU 79 166.218 18.589 -5.793 586 HA GLU 79 HA GLU 79 167.028 16.910 -7.923 587 1HB GLU 79 HB2 GLU 79 167.644 19.003 -9.061 588 2HB GLU 79 HB1 GLU 79 166.044 19.092 -8.338 589 1HG GLU 79 HG2 GLU 79 167.377 20.137 -6.327 590 2HG GLU 79 HG1 GLU 79 168.548 20.503 -7.592 591 H GLN 80 HN GLN 80 168.723 18.027 -5.183 592 HA GLN 80 HA GLN 80 171.311 17.974 -6.472 593 1HB GLN 80 HB2 GLN 80 171.992 18.201 -3.913 594 2HB GLN 80 HB1 GLN 80 171.428 19.570 -4.862 595 1HG GLN 80 HG2 GLN 80 169.366 19.619 -3.825 596 2HG GLN 80 HG1 GLN 80 169.486 17.949 -3.276 597 1HE2 GLN 80 HE21 GLN 80 169.360 20.932 -2.162 598 2HE2 GLN 80 HE22 GLN 80 170.365 20.815 -0.762 599 H ASP 81 HN ASP 81 170.600 16.477 -3.347 600 HA ASP 81 HA ASP 81 170.669 13.802 -4.137 601 1HB ASP 81 HB2 ASP 81 173.016 13.229 -3.417 602 2HB ASP 81 HB1 ASP 81 172.898 14.114 -4.935 603 H GLU 82 HN GLU 82 171.563 16.155 -1.675 604 HA GLU 82 HA GLU 82 171.800 14.648 0.585 605 1HB GLU 82 HB2 GLU 82 170.616 17.347 0.082 606 2HB GLU 82 HB1 GLU 82 170.483 16.644 1.688 607 1HG GLU 82 HG2 GLU 82 173.165 16.581 0.474 608 2HG GLU 82 HG1 GLU 82 172.534 18.175 0.887 609 H MET 83 HN MET 83 170.499 13.517 1.951 610 HA MET 83 HA MET 83 167.648 13.344 1.224 611 1HB MET 83 HB2 MET 83 169.015 11.310 0.681 612 2HB MET 83 HB1 MET 83 169.336 11.132 2.400 613 1HG MET 83 HG2 MET 83 166.868 10.991 2.760 614 2HG MET 83 HG1 MET 83 166.678 10.947 1.009 615 1HE MET 83 HE1 MET 83 169.119 9.212 0.031 616 2HE MET 83 HE2 MET 83 167.460 8.994 -0.526 617 3HE MET 83 HE3 MET 83 168.393 7.604 0.028 618 H ASP 84 HN ASP 84 166.316 14.031 2.745 619 HA ASP 84 HA ASP 84 167.186 13.889 5.558 620 1HB ASP 84 HB2 ASP 84 165.743 15.888 5.947 621 2HB ASP 84 HB1 ASP 84 167.105 16.201 4.874 622 H ASP 85 HN ASP 85 165.082 12.611 3.350 623 HA ASP 85 HA ASP 85 163.295 11.690 5.466 624 1HB ASP 85 HB2 ASP 85 162.398 12.959 2.871 625 2HB ASP 85 HB1 ASP 85 161.338 11.978 3.892 626 H VAL 86 HN VAL 86 164.180 9.667 5.379 627 HA VAL 86 HA VAL 86 164.353 8.271 2.834 628 HB VAL 86 HB VAL 86 166.226 7.830 4.181 629 1HG1 VAL 86 HG11 VAL 86 165.959 6.937 6.537 630 2HG1 VAL 86 HG12 VAL 86 164.280 7.466 6.437 631 3HG1 VAL 86 HG13 VAL 86 165.585 8.644 6.288 632 1HG2 VAL 86 HG21 VAL 86 166.157 5.456 4.626 633 2HG2 VAL 86 HG22 VAL 86 165.258 5.808 3.149 634 3HG2 VAL 86 HG23 VAL 86 164.393 5.481 4.651 635 H PHE 87 HN PHE 87 163.187 6.467 2.275 636 HA PHE 87 HA PHE 87 160.613 6.175 3.599 637 1HB PHE 87 HB2 PHE 87 161.751 5.307 0.963 638 2HB PHE 87 HB1 PHE 87 160.320 4.506 1.595 639 HD1 PHE 87 HD1 PHE 87 158.294 5.921 2.129 640 HD2 PHE 87 HD2 PHE 87 161.596 7.355 -0.138 641 HE1 PHE 87 HE1 PHE 87 156.880 7.709 1.208 642 HE2 PHE 87 HE2 PHE 87 160.188 9.148 -1.062 643 HZ PHE 87 HZ PHE 87 157.827 9.327 -0.389 644 H ALA 88 HN ALA 88 163.552 4.362 2.969 645 HA ALA 88 HA ALA 88 162.964 2.536 5.106 646 1HB ALA 88 HB1 ALA 88 163.121 0.494 3.688 647 2HB ALA 88 HB2 ALA 88 163.004 1.526 2.262 648 3HB ALA 88 HB3 ALA 88 161.663 1.445 3.406 649 H LYS 89 HN LYS 89 164.768 0.936 5.410 650 HA LYS 89 HA LYS 89 167.295 1.888 4.244 651 1HB LYS 89 HB2 LYS 89 167.255 0.791 7.026 652 2HB LYS 89 HB1 LYS 89 168.370 1.933 6.294 653 1HG LYS 89 HG2 LYS 89 166.922 3.736 6.612 654 2HG LYS 89 HG1 LYS 89 165.526 2.686 6.867 655 1HD LYS 89 HD2 LYS 89 166.802 1.832 8.926 656 2HD LYS 89 HD1 LYS 89 167.809 3.267 8.726 657 1HE LYS 89 HE2 LYS 89 165.240 4.254 8.534 658 2HE LYS 89 HE1 LYS 89 165.105 3.009 9.774 659 1HZ LYS 89 HZ1 LYS 89 165.858 5.487 10.298 660 2HZ LYS 89 HZ2 LYS 89 167.378 4.815 9.987 661 3HZ LYS 89 HZ3 LYS 89 166.398 4.160 11.200 662 H PHE 90 HN PHE 90 168.805 0.233 3.782 663 HA PHE 90 HA PHE 90 167.748 -2.496 4.141 664 1HB PHE 90 HB2 PHE 90 169.241 -1.442 1.735 665 2HB PHE 90 HB1 PHE 90 168.646 -3.083 1.946 666 HD1 PHE 90 HD1 PHE 90 166.792 -3.578 0.722 667 HD2 PHE 90 HD2 PHE 90 167.231 0.369 2.252 668 HE1 PHE 90 HE1 PHE 90 164.651 -2.942 -0.306 669 HE2 PHE 90 HE2 PHE 90 165.088 1.007 1.235 670 HZ PHE 90 HZ PHE 90 163.795 -0.651 -0.045 671 H LEU 91 HN LEU 91 169.352 -4.198 3.847 672 HA LEU 91 HA LEU 91 172.117 -3.534 4.455 673 1HB LEU 91 HB2 LEU 91 170.627 -5.465 6.226 674 2HB LEU 91 HB1 LEU 91 172.262 -4.872 6.426 675 HG LEU 91 HG LEU 91 169.884 -3.036 6.590 676 1HD1 LEU 91 HD11 LEU 91 169.912 -5.059 8.221 677 2HD1 LEU 91 HD12 LEU 91 169.620 -3.440 8.846 678 3HD1 LEU 91 HD13 LEU 91 171.217 -4.176 9.010 679 1HD2 LEU 91 HD21 LEU 91 171.366 -1.453 7.137 680 2HD2 LEU 91 HD22 LEU 91 172.572 -2.539 6.447 681 3HD2 LEU 91 HD23 LEU 91 172.279 -2.539 8.186 682 H ILE 92 HN ILE 92 173.367 -4.795 3.222 683 HA ILE 92 HA ILE 92 172.314 -7.432 2.424 684 HB ILE 92 HB ILE 92 174.045 -5.727 0.647 685 1HG1 ILE 92 HG12 ILE 92 171.537 -5.686 -0.484 686 2HG1 ILE 92 HG11 ILE 92 171.174 -5.513 1.229 687 1HG2 ILE 92 HG21 ILE 92 174.152 -7.701 -0.409 688 2HG2 ILE 92 HG22 ILE 92 172.504 -7.341 -0.928 689 3HG2 ILE 92 HG23 ILE 92 172.782 -8.360 0.485 690 1HD1 ILE 92 HD11 ILE 92 171.499 -3.347 0.884 691 2HD1 ILE 92 HD12 ILE 92 172.342 -3.622 -0.642 692 3HD1 ILE 92 HD13 ILE 92 173.218 -3.740 0.885 693 H SER 93 HN SER 93 173.673 -9.135 2.494 694 HA SER 93 HA SER 93 176.014 -8.982 4.055 695 1HB SER 93 HB2 SER 93 174.526 -11.007 3.768 696 2HB SER 93 HB1 SER 93 175.277 -11.245 2.190 697 HG SER 93 HG SER 93 176.443 -11.415 4.752 698 H HIS 94 HN HIS 94 177.925 -8.224 3.491 699 HA HIS 94 HA HIS 94 178.670 -7.508 0.893 700 1HB HIS 94 HB2 HIS 94 180.163 -7.842 3.466 701 2HB HIS 94 HB1 HIS 94 181.068 -7.589 1.975 702 HD1 HIS 94 HD1 HIS 94 181.101 -5.254 1.020 703 HD2 HIS 94 HD2 HIS 94 178.551 -5.634 4.265 704 HE1 HIS 94 HE1 HIS 94 180.483 -2.903 1.659 705 HE2 HIS 94 HE2 HIS 94 178.985 -3.156 3.670 706 H ARG 95 HN ARG 95 179.297 -10.452 2.732 707 HA ARG 95 HA ARG 95 181.230 -11.628 1.136 708 1HB ARG 95 HB2 ARG 95 179.301 -12.529 3.129 709 2HB ARG 95 HB1 ARG 95 179.657 -13.763 1.928 710 1HG ARG 95 HG2 ARG 95 181.965 -12.327 3.088 711 2HG ARG 95 HG1 ARG 95 181.093 -13.438 4.146 712 1HD ARG 95 HD2 ARG 95 182.766 -14.749 3.164 713 2HD ARG 95 HD1 ARG 95 181.307 -15.136 2.254 714 HE ARG 95 HE ARG 95 182.401 -13.166 0.786 715 1HH1 ARG 95 HH11 ARG 95 183.718 -16.116 2.102 716 2HH1 ARG 95 HH12 ARG 95 184.878 -16.311 0.832 717 1HH2 ARG 95 HH21 ARG 95 183.925 -13.421 -0.886 718 2HH2 ARG 95 HH22 ARG 95 184.996 -14.782 -0.864 719 H GLU 96 HN GLU 96 180.618 -13.873 -0.020 720 HA GLU 96 HA GLU 96 178.712 -13.146 -2.143 721 1HB GLU 96 HB2 GLU 96 181.236 -13.451 -2.637 722 2HB GLU 96 HB1 GLU 96 180.908 -15.170 -2.466 723 1HG GLU 96 HG2 GLU 96 180.749 -14.782 -4.750 724 2HG GLU 96 HG1 GLU 96 179.073 -14.814 -4.203 725 H GLU 97 HN GLU 97 179.918 -15.855 -0.190 726 HA GLU 97 HA GLU 97 177.890 -17.655 -1.170 727 1HB GLU 97 HB2 GLU 97 180.327 -17.892 0.269 728 2HB GLU 97 HB1 GLU 97 179.060 -18.569 1.283 729 1HG GLU 97 HG2 GLU 97 178.354 -19.898 -0.768 730 2HG GLU 97 HG1 GLU 97 179.899 -19.414 -1.467 731 H ASP 98 HN ASP 98 175.867 -17.751 -0.471 732 HA ASP 98 HA ASP 98 174.016 -17.542 0.843 733 1HB ASP 98 HB2 ASP 98 175.812 -18.599 2.542 734 2HB ASP 98 HB1 ASP 98 175.573 -17.042 3.330 735 H ARG 99 HN ARG 99 172.951 -15.698 0.474 736 HA ARG 99 HA ARG 99 174.136 -13.194 1.465 737 1HB ARG 99 HB2 ARG 99 173.968 -13.311 -0.982 738 2HB ARG 99 HB1 ARG 99 172.240 -13.633 -0.853 739 1HG ARG 99 HG2 ARG 99 172.206 -11.404 -1.303 740 2HG ARG 99 HG1 ARG 99 172.251 -11.351 0.460 741 1HD ARG 99 HD2 ARG 99 173.922 -9.866 -0.019 742 2HD ARG 99 HD1 ARG 99 174.857 -11.362 0.048 743 HE ARG 99 HE ARG 99 175.372 -11.034 -2.141 744 1HH1 ARG 99 HH11 ARG 99 172.368 -9.375 -1.493 745 2HH1 ARG 99 HH12 ARG 99 172.246 -8.714 -3.088 746 1HH2 ARG 99 HH21 ARG 99 175.210 -10.163 -4.238 747 2HH2 ARG 99 HH22 ARG 99 173.858 -9.160 -4.646 748 H GLU 100 HN GLU 100 173.016 -11.992 2.870 749 HA GLU 100 HA GLU 100 170.178 -12.637 3.314 750 1HB GLU 100 HB2 GLU 100 172.004 -13.399 5.087 751 2HB GLU 100 HB1 GLU 100 171.864 -11.724 5.603 752 1HG GLU 100 HG2 GLU 100 170.420 -13.280 6.865 753 2HG GLU 100 HG1 GLU 100 169.532 -11.988 6.058 754 H PHE 101 HN PHE 101 168.829 -10.925 3.459 755 HA PHE 101 HA PHE 101 169.974 -8.273 3.875 756 1HB PHE 101 HB2 PHE 101 168.921 -7.302 1.947 757 2HB PHE 101 HB1 PHE 101 169.871 -8.684 1.413 758 HD1 PHE 101 HD1 PHE 101 168.864 -10.508 0.314 759 HD2 PHE 101 HD2 PHE 101 166.443 -7.520 2.134 760 HE1 PHE 101 HE1 PHE 101 166.879 -11.446 -0.797 761 HE2 PHE 101 HE2 PHE 101 164.453 -8.453 1.028 762 HZ PHE 101 HZ PHE 101 164.669 -10.418 -0.440 763 H HIS 102 HN HIS 102 168.621 -6.763 4.767 764 HA HIS 102 HA HIS 102 165.857 -7.528 5.302 765 1HB HIS 102 HB2 HIS 102 166.571 -6.319 7.681 766 2HB HIS 102 HB1 HIS 102 166.318 -8.038 7.439 767 HD1 HIS 102 HD1 HIS 102 168.343 -6.466 9.440 768 HD2 HIS 102 HD2 HIS 102 169.324 -8.639 6.037 769 HE1 HIS 102 HE1 HIS 102 170.728 -7.193 9.761 770 HE2 HIS 102 HE2 HIS 102 171.317 -8.445 7.660 771 H VAL 103 HN VAL 103 164.504 -5.702 5.923 772 HA VAL 103 HA VAL 103 165.650 -3.054 5.522 773 HB VAL 103 HB VAL 103 165.156 -3.869 3.244 774 1HG1 VAL 103 HG11 VAL 103 162.685 -3.925 2.629 775 2HG1 VAL 103 HG12 VAL 103 162.376 -4.104 4.354 776 3HG1 VAL 103 HG13 VAL 103 163.331 -5.316 3.498 777 1HG2 VAL 103 HG21 VAL 103 163.848 -1.478 4.419 778 2HG2 VAL 103 HG22 VAL 103 163.445 -1.903 2.758 779 3HG2 VAL 103 HG23 VAL 103 165.121 -1.593 3.207 780 H ILE 104 HN ILE 104 164.461 -1.353 6.294 781 HA ILE 104 HA ILE 104 161.988 -2.065 7.739 782 HB ILE 104 HB ILE 104 162.466 0.185 8.941 783 1HG1 ILE 104 HG12 ILE 104 164.452 0.612 7.351 784 2HG1 ILE 104 HG11 ILE 104 164.667 0.963 9.060 785 1HG2 ILE 104 HG21 ILE 104 162.367 -1.880 10.093 786 2HG2 ILE 104 HG22 ILE 104 163.808 -1.022 10.645 787 3HG2 ILE 104 HG23 ILE 104 163.958 -2.359 9.503 788 1HD1 ILE 104 HD11 ILE 104 166.473 -0.291 9.042 789 2HD1 ILE 104 HD12 ILE 104 166.177 -0.754 7.366 790 3HD1 ILE 104 HD13 ILE 104 165.481 -1.702 8.678 791 H TRP 105 HN TRP 105 160.148 -0.950 7.336 792 HA TRP 105 HA TRP 105 160.332 1.127 5.258 793 1HB TRP 105 HB2 TRP 105 157.880 -0.523 5.893 794 2HB TRP 105 HB1 TRP 105 158.134 0.531 4.498 795 HD1 TRP 105 HD1 TRP 105 158.586 -3.008 5.645 796 HE1 TRP 105 HE1 TRP 105 159.681 -4.388 3.771 797 HE3 TRP 105 HE3 TRP 105 160.001 0.799 2.538 798 HZ2 TRP 105 HZ2 TRP 105 160.957 -3.926 1.299 799 HZ3 TRP 105 HZ3 TRP 105 161.130 0.249 0.447 800 HH2 TRP 105 HH2 TRP 105 161.615 -2.067 -0.168 801 H LYS 106 HN LYS 106 157.281 0.806 6.920 802 HA LYS 106 HA LYS 106 157.820 2.649 9.003 803 1HB LYS 106 HB2 LYS 106 157.565 3.843 6.510 804 2HB LYS 106 HB1 LYS 106 155.971 4.031 7.226 805 1HG LYS 106 HG2 LYS 106 156.768 5.321 8.980 806 2HG LYS 106 HG1 LYS 106 158.425 4.751 8.775 807 1HD LYS 106 HD2 LYS 106 157.546 6.024 6.363 808 2HD LYS 106 HD1 LYS 106 157.251 7.095 7.734 809 1HE LYS 106 HE2 LYS 106 159.874 5.718 7.615 810 2HE LYS 106 HE1 LYS 106 159.585 7.011 6.451 811 1HZ LYS 106 HZ1 LYS 106 159.037 8.481 8.308 812 2HZ LYS 106 HZ2 LYS 106 160.612 7.878 8.439 813 3HZ LYS 106 HZ3 LYS 106 159.380 7.240 9.406 814 H LYS 107 HN LYS 107 155.965 3.111 10.291 815 HA LYS 107 HA LYS 107 153.607 1.471 9.637 816 1HB LYS 107 HB2 LYS 107 153.389 1.038 12.091 817 2HB LYS 107 HB1 LYS 107 154.805 0.303 11.353 818 1HG LYS 107 HG2 LYS 107 155.524 2.891 12.288 819 2HG LYS 107 HG1 LYS 107 154.679 2.038 13.581 820 1HD LYS 107 HD2 LYS 107 156.213 0.074 13.086 821 2HD LYS 107 HD1 LYS 107 157.158 1.191 12.099 822 1HE LYS 107 HE2 LYS 107 157.042 2.665 14.287 823 2HE LYS 107 HE1 LYS 107 156.793 1.096 15.052 824 1HZ LYS 107 HZ1 LYS 107 159.170 2.185 13.787 825 2HZ LYS 107 HZ2 LYS 107 158.866 0.549 13.487 826 3HZ LYS 107 HZ3 LYS 107 159.029 1.100 15.078 Start of MODEL 20 1 H MET 1 HT1 MET 1 199.144 -13.456 0.709 2 HA MET 1 HA MET 1 196.675 -14.352 2.003 3 1HB MET 1 HB2 MET 1 197.645 -13.142 4.031 4 2HB MET 1 HB1 MET 1 198.294 -14.738 3.679 5 1HG MET 1 HG2 MET 1 200.148 -13.506 2.427 6 2HG MET 1 HG1 MET 1 199.570 -12.062 3.256 7 1HE MET 1 HE1 MET 1 201.290 -15.791 5.358 8 2HE MET 1 HE2 MET 1 201.028 -15.637 3.620 9 3HE MET 1 HE3 MET 1 199.649 -15.772 4.711 10 H THR 2 HN THR 2 196.074 -12.162 3.351 11 HA THR 2 HA THR 2 196.650 -9.697 2.114 12 HB THR 2 HB THR 2 194.388 -11.282 1.015 13 HG1 THR 2 HG1 THR 2 196.170 -9.313 0.057 14 1HG2 THR 2 HG21 THR 2 193.159 -9.445 2.090 15 2HG2 THR 2 HG22 THR 2 193.102 -9.361 0.330 16 3HG2 THR 2 HG23 THR 2 194.170 -8.284 1.228 17 H THR 3 HN THR 3 194.309 -11.630 3.903 18 HA THR 3 HA THR 3 193.336 -11.286 5.939 19 HB THR 3 HB THR 3 194.157 -9.713 7.435 20 HG1 THR 3 HG1 THR 3 194.899 -7.676 6.832 21 1HG2 THR 3 HG21 THR 3 196.578 -9.071 6.147 22 2HG2 THR 3 HG22 THR 3 196.147 -10.709 5.657 23 3HG2 THR 3 HG23 THR 3 196.281 -10.307 7.369 24 H GLU 4 HN GLU 4 192.471 -8.497 6.786 25 HA GLU 4 HA GLU 4 190.468 -7.397 6.678 26 1HB GLU 4 HB2 GLU 4 191.202 -7.179 3.758 27 2HB GLU 4 HB1 GLU 4 190.218 -6.060 4.691 28 1HG GLU 4 HG2 GLU 4 193.123 -6.611 5.237 29 2HG GLU 4 HG1 GLU 4 192.531 -5.277 4.250 30 H ILE 5 HN ILE 5 188.549 -7.049 4.779 31 HA ILE 5 HA ILE 5 187.584 -9.759 4.142 32 HB ILE 5 HB ILE 5 185.709 -7.597 5.071 33 1HG1 ILE 5 HG12 ILE 5 186.355 -9.709 7.031 34 2HG1 ILE 5 HG11 ILE 5 187.639 -8.533 6.765 35 1HG2 ILE 5 HG21 ILE 5 184.699 -10.049 5.792 36 2HG2 ILE 5 HG22 ILE 5 185.508 -10.383 4.262 37 3HG2 ILE 5 HG23 ILE 5 184.267 -9.132 4.348 38 1HD1 ILE 5 HD11 ILE 5 186.247 -6.740 7.428 39 2HD1 ILE 5 HD12 ILE 5 186.069 -8.014 8.635 40 3HD1 ILE 5 HD13 ILE 5 184.813 -7.767 7.422 41 H LYS 6 HN LYS 6 186.015 -9.841 2.415 42 HA LYS 6 HA LYS 6 186.524 -7.781 0.420 43 1HB LYS 6 HB2 LYS 6 185.180 -10.480 0.269 44 2HB LYS 6 HB1 LYS 6 185.258 -9.365 -1.088 45 1HG LYS 6 HG2 LYS 6 187.113 -10.513 -1.600 46 2HG LYS 6 HG1 LYS 6 187.863 -9.466 -0.393 47 1HD LYS 6 HD2 LYS 6 186.583 -11.841 0.737 48 2HD LYS 6 HD1 LYS 6 187.906 -12.207 -0.371 49 1HE LYS 6 HE2 LYS 6 188.340 -10.083 1.658 50 2HE LYS 6 HE1 LYS 6 188.307 -11.755 2.215 51 1HZ LYS 6 HZ1 LYS 6 189.976 -11.006 -0.093 52 2HZ LYS 6 HZ2 LYS 6 190.168 -12.290 0.992 53 3HZ LYS 6 HZ3 LYS 6 190.531 -10.711 1.479 54 H LYS 7 HN LYS 7 185.315 -6.048 0.809 55 HA LYS 7 HA LYS 7 182.488 -6.338 1.441 56 1HB LYS 7 HB2 LYS 7 182.581 -3.902 1.843 57 2HB LYS 7 HB1 LYS 7 183.743 -4.804 2.806 58 1HG LYS 7 HG2 LYS 7 185.190 -4.179 0.564 59 2HG LYS 7 HG1 LYS 7 184.176 -2.751 0.791 60 1HD LYS 7 HD2 LYS 7 185.296 -3.706 3.292 61 2HD LYS 7 HD1 LYS 7 186.548 -3.324 2.108 62 1HE LYS 7 HE2 LYS 7 186.109 -1.111 2.166 63 2HE LYS 7 HE1 LYS 7 184.371 -1.356 2.325 64 1HZ LYS 7 HZ1 LYS 7 186.430 -1.340 4.439 65 2HZ LYS 7 HZ2 LYS 7 184.940 -2.099 4.690 66 3HZ LYS 7 HZ3 LYS 7 184.998 -0.443 4.347 67 H LEU 8 HN LEU 8 180.876 -5.903 0.059 68 HA LEU 8 HA LEU 8 181.151 -5.853 -2.667 69 1HB LEU 8 HB2 LEU 8 179.036 -5.440 -0.762 70 2HB LEU 8 HB1 LEU 8 178.848 -4.324 -2.100 71 HG LEU 8 HG LEU 8 179.179 -7.296 -2.469 72 1HD1 LEU 8 HD11 LEU 8 176.661 -7.080 -3.018 73 2HD1 LEU 8 HD12 LEU 8 176.736 -5.635 -2.010 74 3HD1 LEU 8 HD13 LEU 8 177.165 -7.206 -1.333 75 1HD2 LEU 8 HD21 LEU 8 178.072 -6.687 -4.673 76 2HD2 LEU 8 HD22 LEU 8 179.744 -6.168 -4.459 77 3HD2 LEU 8 HD23 LEU 8 178.428 -5.007 -4.269 78 H ASP 9 HN ASP 9 180.726 -4.140 -4.241 79 HA ASP 9 HA ASP 9 182.281 -1.789 -3.641 80 1HB ASP 9 HB2 ASP 9 181.357 -3.174 -6.024 81 2HB ASP 9 HB1 ASP 9 181.140 -1.432 -6.163 82 HA PRO 10 HA PRO 10 179.141 1.087 -2.545 83 1HB PRO 10 HB2 PRO 10 179.846 3.243 -4.153 84 2HB PRO 10 HB1 PRO 10 180.555 2.870 -2.574 85 1HG PRO 10 HG2 PRO 10 181.587 2.261 -5.311 86 2HG PRO 10 HG1 PRO 10 182.474 2.774 -3.863 87 1HD PRO 10 HD2 PRO 10 182.493 0.223 -4.680 88 2HD PRO 10 HD1 PRO 10 182.467 0.638 -2.952 89 H ASP 11 HN ASP 11 179.821 1.560 -6.019 90 HA ASP 11 HA ASP 11 177.138 2.158 -6.677 91 1HB ASP 11 HB2 ASP 11 177.880 1.921 -9.020 92 2HB ASP 11 HB1 ASP 11 178.994 2.904 -8.074 93 H THR 12 HN THR 12 178.911 -0.825 -6.420 94 HA THR 12 HA THR 12 177.179 -2.449 -7.960 95 HB THR 12 HB THR 12 178.992 -3.227 -5.668 96 HG1 THR 12 HG1 THR 12 179.467 -3.235 -8.463 97 1HG2 THR 12 HG21 THR 12 179.058 -5.430 -6.674 98 2HG2 THR 12 HG22 THR 12 177.893 -4.922 -7.896 99 3HG2 THR 12 HG23 THR 12 177.413 -5.006 -6.201 100 H ALA 13 HN ALA 13 177.436 -2.021 -4.414 101 HA ALA 13 HA ALA 13 175.220 -3.614 -3.765 102 1HB ALA 13 HB1 ALA 13 175.535 -2.923 -1.602 103 2HB ALA 13 HB2 ALA 13 175.927 -1.269 -2.070 104 3HB ALA 13 HB3 ALA 13 177.117 -2.552 -2.287 105 H ILE 14 HN ILE 14 175.484 -0.069 -4.060 106 HA ILE 14 HA ILE 14 172.909 0.683 -3.515 107 HB ILE 14 HB ILE 14 174.796 1.798 -5.591 108 1HG1 ILE 14 HG12 ILE 14 174.044 2.769 -2.826 109 2HG1 ILE 14 HG11 ILE 14 175.521 1.897 -3.223 110 1HG2 ILE 14 HG21 ILE 14 172.193 2.945 -4.595 111 2HG2 ILE 14 HG22 ILE 14 172.576 2.449 -6.243 112 3HG2 ILE 14 HG23 ILE 14 173.393 3.839 -5.529 113 1HD1 ILE 14 HD11 ILE 14 175.338 4.573 -3.090 114 2HD1 ILE 14 HD12 ILE 14 175.016 4.321 -4.806 115 3HD1 ILE 14 HD13 ILE 14 176.510 3.715 -4.091 116 H ASP 15 HN ASP 15 174.161 -0.739 -6.472 117 HA ASP 15 HA ASP 15 171.839 -0.362 -8.052 118 1HB ASP 15 HB2 ASP 15 174.236 -0.990 -8.801 119 2HB ASP 15 HB1 ASP 15 173.765 -2.645 -8.424 120 H ILE 16 HN ILE 16 172.954 -2.952 -5.929 121 HA ILE 16 HA ILE 16 170.944 -4.828 -6.539 122 HB ILE 16 HB ILE 16 172.346 -4.498 -3.884 123 1HG1 ILE 16 HG12 ILE 16 174.052 -4.640 -5.547 124 2HG1 ILE 16 HG11 ILE 16 173.920 -6.236 -4.811 125 1HG2 ILE 16 HG21 ILE 16 170.857 -6.108 -3.374 126 2HG2 ILE 16 HG22 ILE 16 172.012 -7.141 -4.217 127 3HG2 ILE 16 HG23 ILE 16 170.586 -6.541 -5.062 128 1HD1 ILE 16 HD11 ILE 16 172.652 -5.448 -7.424 129 2HD1 ILE 16 HD12 ILE 16 172.703 -7.059 -6.708 130 3HD1 ILE 16 HD13 ILE 16 174.192 -6.292 -7.262 131 H ALA 17 HN ALA 17 171.204 -2.746 -3.643 132 HA ALA 17 HA ALA 17 168.735 -3.206 -2.546 133 1HB ALA 17 HB1 ALA 17 168.926 -0.806 -1.680 134 2HB ALA 17 HB2 ALA 17 170.450 -0.745 -2.564 135 3HB ALA 17 HB3 ALA 17 170.225 -1.928 -1.275 136 H TYR 18 HN TYR 18 169.549 -1.044 -5.205 137 HA TYR 18 HA TYR 18 167.138 0.349 -5.407 138 1HB TYR 18 HB2 TYR 18 169.293 0.802 -6.668 139 2HB TYR 18 HB1 TYR 18 168.834 -0.503 -7.756 140 HD1 TYR 18 HD1 TYR 18 168.304 2.957 -6.841 141 HD2 TYR 18 HD2 TYR 18 166.783 -0.272 -9.156 142 HE1 TYR 18 HE1 TYR 18 166.970 4.543 -8.165 143 HE2 TYR 18 HE2 TYR 18 165.445 1.305 -10.487 144 HH TYR 18 HH TYR 18 165.962 4.536 -10.576 145 H ASP 19 HN ASP 19 168.168 -2.579 -7.160 146 HA ASP 19 HA ASP 19 165.808 -3.073 -8.530 147 1HB ASP 19 HB2 ASP 19 168.131 -4.704 -7.672 148 2HB ASP 19 HB1 ASP 19 166.669 -5.596 -8.105 149 H ILE 20 HN ILE 20 166.641 -3.715 -5.190 150 HA ILE 20 HA ILE 20 164.575 -5.522 -4.577 151 HB ILE 20 HB ILE 20 165.833 -3.498 -2.717 152 1HG1 ILE 20 HG12 ILE 20 166.655 -6.347 -3.330 153 2HG1 ILE 20 HG11 ILE 20 167.522 -4.896 -3.840 154 1HG2 ILE 20 HG21 ILE 20 163.814 -4.462 -1.798 155 2HG2 ILE 20 HG22 ILE 20 165.221 -5.116 -0.962 156 3HG2 ILE 20 HG23 ILE 20 164.386 -6.087 -2.174 157 1HD1 ILE 20 HD11 ILE 20 168.736 -5.266 -2.002 158 2HD1 ILE 20 HD12 ILE 20 167.492 -6.270 -1.257 159 3HD1 ILE 20 HD13 ILE 20 167.382 -4.512 -1.161 160 H PHE 21 HN PHE 21 164.675 -2.147 -3.431 161 HA PHE 21 HA PHE 21 162.094 -1.779 -2.734 162 1HB PHE 21 HB2 PHE 21 163.726 -0.037 -2.418 163 2HB PHE 21 HB1 PHE 21 163.918 0.167 -4.154 164 HD1 PHE 21 HD1 PHE 21 162.603 1.691 -5.327 165 HD2 PHE 21 HD2 PHE 21 161.482 0.550 -1.384 166 HE1 PHE 21 HE1 PHE 21 160.891 3.452 -5.308 167 HE2 PHE 21 HE2 PHE 21 159.760 2.308 -1.362 168 HZ PHE 21 HZ PHE 21 159.462 3.762 -3.327 169 H LEU 22 HN LEU 22 163.315 -1.977 -5.999 170 HA LEU 22 HA LEU 22 161.089 -0.905 -7.345 171 1HB LEU 22 HB2 LEU 22 163.580 -1.956 -8.037 172 2HB LEU 22 HB1 LEU 22 162.421 -3.019 -8.823 173 HG LEU 22 HG LEU 22 161.472 -1.194 -10.059 174 1HD1 LEU 22 HD11 LEU 22 162.944 1.054 -9.665 175 2HD1 LEU 22 HD12 LEU 22 162.835 0.420 -8.023 176 3HD1 LEU 22 HD13 LEU 22 161.365 0.750 -8.940 177 1HD2 LEU 22 HD21 LEU 22 164.310 -0.459 -10.361 178 2HD2 LEU 22 HD22 LEU 22 163.145 -1.021 -11.560 179 3HD2 LEU 22 HD23 LEU 22 163.938 -2.178 -10.492 180 H GLU 23 HN GLU 23 161.908 -4.259 -6.463 181 HA GLU 23 HA GLU 23 159.247 -5.093 -7.374 182 1HB GLU 23 HB2 GLU 23 160.089 -7.343 -7.392 183 2HB GLU 23 HB1 GLU 23 161.242 -6.309 -8.224 184 1HG GLU 23 HG2 GLU 23 162.771 -6.395 -6.450 185 2HG GLU 23 HG1 GLU 23 161.566 -7.035 -5.334 186 H MET 24 HN MET 24 161.223 -4.803 -4.520 187 HA MET 24 HA MET 24 159.613 -6.436 -2.831 188 1HB MET 24 HB2 MET 24 162.019 -4.860 -2.599 189 2HB MET 24 HB1 MET 24 160.959 -4.556 -1.229 190 1HG MET 24 HG2 MET 24 160.830 -7.244 -1.348 191 2HG MET 24 HG1 MET 24 162.464 -6.971 -1.966 192 1HE MET 24 HE1 MET 24 159.924 -6.622 0.667 193 2HE MET 24 HE2 MET 24 160.474 -5.053 1.256 194 3HE MET 24 HE3 MET 24 160.806 -6.512 2.190 195 H ALA 25 HN ALA 25 159.931 -2.903 -3.183 196 HA ALA 25 HA ALA 25 158.058 -2.110 -1.312 197 1HB ALA 25 HB1 ALA 25 159.645 -0.700 -2.765 198 2HB ALA 25 HB2 ALA 25 158.085 -0.011 -2.318 199 3HB ALA 25 HB3 ALA 25 158.323 -0.680 -3.932 200 H GLY 26 HN GLY 26 156.086 -3.003 -1.129 201 1HA GLY 26 HA2 GLY 26 154.120 -2.474 -3.141 202 2HA GLY 26 HA1 GLY 26 154.533 -4.180 -3.065 203 H GLU 27 HN GLU 27 154.166 -5.316 -1.062 204 HA GLU 27 HA GLU 27 151.833 -4.249 0.341 205 1HB GLU 27 HB2 GLU 27 152.985 -7.038 0.463 206 2HB GLU 27 HB1 GLU 27 151.415 -6.517 1.059 207 1HG GLU 27 HG2 GLU 27 152.048 -6.130 -1.819 208 2HG GLU 27 HG1 GLU 27 151.665 -7.751 -1.241 209 H ASN 28 HN ASN 28 155.065 -4.131 0.804 210 HA ASN 28 HA ASN 28 155.019 -4.699 3.664 211 1HB ASN 28 HB2 ASN 28 157.352 -3.689 2.028 212 2HB ASN 28 HB1 ASN 28 157.400 -4.476 3.613 213 1HD2 ASN 28 HD21 ASN 28 157.170 -6.689 3.750 214 2HD2 ASN 28 HD22 ASN 28 157.277 -7.725 2.371 215 H LEU 29 HN LEU 29 155.040 -2.015 1.450 216 HA LEU 29 HA LEU 29 155.497 -0.107 3.618 217 1HB LEU 29 HB2 LEU 29 156.544 -0.024 1.230 218 2HB LEU 29 HB1 LEU 29 154.995 0.652 0.765 219 HG LEU 29 HG LEU 29 156.530 1.870 3.031 220 1HD1 LEU 29 HD11 LEU 29 158.046 2.890 1.731 221 2HD1 LEU 29 HD12 LEU 29 156.913 3.096 0.395 222 3HD1 LEU 29 HD13 LEU 29 157.740 1.555 0.621 223 1HD2 LEU 29 HD21 LEU 29 155.021 3.448 1.052 224 2HD2 LEU 29 HD22 LEU 29 155.101 3.597 2.809 225 3HD2 LEU 29 HD23 LEU 29 154.074 2.370 2.073 226 H ASP 30 HN ASP 30 153.965 1.283 4.378 227 HA ASP 30 HA ASP 30 151.314 0.606 4.384 228 1HB ASP 30 HB2 ASP 30 152.845 2.547 5.591 229 2HB ASP 30 HB1 ASP 30 151.718 3.495 4.626 230 HA PRO 31 HA PRO 31 149.540 1.887 0.551 231 1HB PRO 31 HB2 PRO 31 147.058 2.569 1.951 232 2HB PRO 31 HB1 PRO 31 147.376 1.266 0.796 233 1HG PRO 31 HG2 PRO 31 146.951 0.795 3.418 234 2HG PRO 31 HG1 PRO 31 148.043 -0.202 2.440 235 1HD PRO 31 HD2 PRO 31 148.701 1.995 4.371 236 2HD PRO 31 HD1 PRO 31 149.502 0.425 4.127 237 H ALA 32 HN ALA 32 150.772 4.074 2.346 238 HA ALA 32 HA ALA 32 149.262 6.320 1.186 239 1HB ALA 32 HB1 ALA 32 149.066 6.356 3.606 240 2HB ALA 32 HB2 ALA 32 150.074 7.697 3.064 241 3HB ALA 32 HB3 ALA 32 150.819 6.264 3.772 242 H ASP 33 HN ASP 33 152.467 5.761 2.630 243 HA ASP 33 HA ASP 33 153.826 7.590 1.006 244 1HB ASP 33 HB2 ASP 33 155.483 5.295 1.773 245 2HB ASP 33 HB1 ASP 33 155.673 6.997 2.159 246 H ILE 34 HN ILE 34 152.626 4.439 0.330 247 HA ILE 34 HA ILE 34 154.342 3.707 -1.795 248 HB ILE 34 HB ILE 34 151.490 2.967 -1.136 249 1HG1 ILE 34 HG12 ILE 34 154.075 1.388 -1.142 250 2HG1 ILE 34 HG11 ILE 34 153.261 2.028 0.288 251 1HG2 ILE 34 HG21 ILE 34 151.628 1.258 -2.921 252 2HG2 ILE 34 HG22 ILE 34 153.133 1.993 -3.469 253 3HG2 ILE 34 HG23 ILE 34 151.627 2.907 -3.543 254 1HD1 ILE 34 HD11 ILE 34 151.963 0.064 -1.575 255 2HD1 ILE 34 HD12 ILE 34 151.464 0.525 0.052 256 3HD1 ILE 34 HD13 ILE 34 152.934 -0.420 -0.185 257 H LEU 35 HN LEU 35 151.362 5.581 -1.586 258 HA LEU 35 HA LEU 35 150.979 6.020 -4.338 259 1HB LEU 35 HB2 LEU 35 149.189 6.486 -2.824 260 2HB LEU 35 HB1 LEU 35 150.176 7.600 -1.899 261 HG LEU 35 HG LEU 35 150.103 8.601 -4.542 262 1HD1 LEU 35 HD11 LEU 35 147.771 8.837 -5.013 263 2HD1 LEU 35 HD12 LEU 35 147.333 8.001 -3.523 264 3HD1 LEU 35 HD13 LEU 35 148.123 7.119 -4.830 265 1HD2 LEU 35 HD21 LEU 35 149.275 10.534 -3.525 266 2HD2 LEU 35 HD22 LEU 35 150.214 9.748 -2.255 267 3HD2 LEU 35 HD23 LEU 35 148.455 9.625 -2.255 268 H LEU 36 HN LEU 36 152.661 7.908 -1.843 269 HA LEU 36 HA LEU 36 153.474 10.063 -3.408 270 1HB LEU 36 HB2 LEU 36 154.181 8.911 -0.844 271 2HB LEU 36 HB1 LEU 36 155.599 9.545 -1.655 272 HG LEU 36 HG LEU 36 154.427 11.127 -0.078 273 1HD1 LEU 36 HD11 LEU 36 154.769 13.042 -1.487 274 2HD1 LEU 36 HD12 LEU 36 154.632 12.050 -2.938 275 3HD1 LEU 36 HD13 LEU 36 156.003 11.835 -1.849 276 1HD2 LEU 36 HD21 LEU 36 152.396 12.157 -0.703 277 2HD2 LEU 36 HD22 LEU 36 152.126 10.422 -0.862 278 3HD2 LEU 36 HD23 LEU 36 152.416 11.404 -2.297 279 H PHE 37 HN PHE 37 154.928 6.896 -2.955 280 HA PHE 37 HA PHE 37 157.329 7.288 -4.335 281 1HB PHE 37 HB2 PHE 37 157.166 5.306 -3.072 282 2HB PHE 37 HB1 PHE 37 155.626 4.865 -3.792 283 HD1 PHE 37 HD1 PHE 37 158.594 5.937 -5.701 284 HD2 PHE 37 HD2 PHE 37 156.189 2.665 -4.431 285 HE1 PHE 37 HE1 PHE 37 159.769 4.466 -7.284 286 HE2 PHE 37 HE2 PHE 37 157.360 1.187 -6.013 287 HZ PHE 37 HZ PHE 37 159.154 2.087 -7.440 288 H ASN 38 HN ASN 38 154.078 6.651 -5.460 289 HA ASN 38 HA ASN 38 154.832 6.100 -8.169 290 1HB ASN 38 HB2 ASN 38 152.326 6.312 -6.632 291 2HB ASN 38 HB1 ASN 38 152.197 6.781 -8.325 292 1HD2 ASN 38 HD21 ASN 38 154.211 4.323 -6.771 293 2HD2 ASN 38 HD22 ASN 38 153.564 2.981 -7.664 294 H LEU 39 HN LEU 39 153.317 8.891 -6.541 295 HA LEU 39 HA LEU 39 153.265 10.514 -8.856 296 1HB LEU 39 HB2 LEU 39 153.035 11.098 -5.921 297 2HB LEU 39 HB1 LEU 39 153.058 12.395 -7.099 298 HG LEU 39 HG LEU 39 150.786 11.996 -6.641 299 1HD1 LEU 39 HD11 LEU 39 151.296 10.380 -9.126 300 2HD1 LEU 39 HD12 LEU 39 151.421 12.137 -9.064 301 3HD1 LEU 39 HD13 LEU 39 149.876 11.351 -8.737 302 1HD2 LEU 39 HD21 LEU 39 151.032 9.074 -7.243 303 2HD2 LEU 39 HD22 LEU 39 149.762 9.929 -6.368 304 3HD2 LEU 39 HD23 LEU 39 151.344 9.698 -5.622 305 H GLN 40 HN GLN 40 155.639 10.142 -6.256 306 HA GLN 40 HA GLN 40 157.440 11.887 -7.785 307 1HB GLN 40 HB2 GLN 40 158.369 11.447 -5.085 308 2HB GLN 40 HB1 GLN 40 158.052 12.957 -5.915 309 1HG GLN 40 HG2 GLN 40 155.680 11.526 -4.934 310 2HG GLN 40 HG1 GLN 40 156.781 12.124 -3.704 311 1HE2 GLN 40 HE21 GLN 40 154.820 13.055 -6.463 312 2HE2 GLN 40 HE22 GLN 40 154.630 14.710 -6.007 313 H PHE 41 HN PHE 41 159.741 11.098 -6.260 314 HA PHE 41 HA PHE 41 161.299 9.438 -5.998 315 1HB PHE 41 HB2 PHE 41 159.195 7.900 -5.735 316 2HB PHE 41 HB1 PHE 41 159.588 7.403 -7.384 317 HD1 PHE 41 HD1 PHE 41 161.751 6.312 -7.858 318 HD2 PHE 41 HD2 PHE 41 160.499 7.188 -3.886 319 HE1 PHE 41 HE1 PHE 41 163.434 4.743 -6.985 320 HE2 PHE 41 HE2 PHE 41 162.180 5.622 -3.006 321 HZ PHE 41 HZ PHE 41 163.652 4.398 -4.556 322 H GLU 42 HN GLU 42 159.594 9.992 -8.971 323 HA GLU 42 HA GLU 42 161.738 8.953 -10.628 324 1HB GLU 42 HB2 GLU 42 159.486 8.613 -11.421 325 2HB GLU 42 HB1 GLU 42 159.126 10.328 -11.265 326 1HG GLU 42 HG2 GLU 42 159.438 9.865 -13.568 327 2HG GLU 42 HG1 GLU 42 160.843 10.774 -13.012 328 H GLU 43 HN GLU 43 160.465 11.986 -9.492 329 HA GLU 43 HA GLU 43 162.513 13.456 -11.007 330 1HB GLU 43 HB2 GLU 43 160.027 14.089 -11.150 331 2HB GLU 43 HB1 GLU 43 160.215 14.705 -9.514 332 1HG GLU 43 HG2 GLU 43 161.469 16.476 -10.172 333 2HG GLU 43 HG1 GLU 43 162.173 15.613 -11.539 334 H ARG 44 HN ARG 44 161.397 12.629 -7.823 335 HA ARG 44 HA ARG 44 163.653 14.135 -6.672 336 1HB ARG 44 HB2 ARG 44 160.902 13.648 -5.528 337 2HB ARG 44 HB1 ARG 44 162.256 14.213 -4.560 338 1HG ARG 44 HG2 ARG 44 161.155 16.168 -5.088 339 2HG ARG 44 HG1 ARG 44 162.423 16.101 -6.314 340 1HD ARG 44 HD2 ARG 44 160.797 16.370 -7.816 341 2HD ARG 44 HD1 ARG 44 160.338 14.704 -7.463 342 HE ARG 44 HE ARG 44 159.022 16.098 -5.568 343 1HH1 ARG 44 HH11 ARG 44 159.228 16.441 -9.035 344 2HH1 ARG 44 HH12 ARG 44 157.640 17.115 -9.187 345 1HH2 ARG 44 HH21 ARG 44 156.934 16.984 -5.767 346 2HH2 ARG 44 HH22 ARG 44 156.338 17.423 -7.332 347 H GLY 45 HN GLY 45 163.878 11.506 -7.654 348 1HA GLY 45 HA2 GLY 45 163.782 9.786 -5.286 349 2HA GLY 45 HA1 GLY 45 164.087 9.261 -6.937 350 H GLY 46 HN GLY 46 165.497 9.295 -4.095 351 1HA GLY 46 HA2 GLY 46 168.165 9.401 -5.264 352 2HA GLY 46 HA1 GLY 46 167.853 10.505 -3.933 353 H VAL 47 HN VAL 47 169.358 7.763 -4.547 354 HA VAL 47 HA VAL 47 168.723 6.622 -1.907 355 HB VAL 47 HB VAL 47 169.526 5.027 -4.345 356 1HG1 VAL 47 HG11 VAL 47 168.431 3.967 -1.758 357 2HG1 VAL 47 HG12 VAL 47 170.159 4.215 -2.005 358 3HG1 VAL 47 HG13 VAL 47 169.272 3.097 -3.041 359 1HG2 VAL 47 HG21 VAL 47 167.111 4.112 -3.935 360 2HG2 VAL 47 HG22 VAL 47 167.354 5.591 -4.864 361 3HG2 VAL 47 HG23 VAL 47 166.860 5.683 -3.173 362 H GLU 48 HN GLU 48 170.401 6.990 -0.618 363 HA GLU 48 HA GLU 48 173.095 7.110 -1.753 364 1HB GLU 48 HB2 GLU 48 173.752 8.153 0.344 365 2HB GLU 48 HB1 GLU 48 172.356 8.979 -0.332 366 1HG GLU 48 HG2 GLU 48 170.895 8.003 1.250 367 2HG GLU 48 HG1 GLU 48 172.129 6.865 1.788 368 H PHE 49 HN PHE 49 174.843 6.279 -0.144 369 HA PHE 49 HA PHE 49 174.016 3.649 0.894 370 1HB PHE 49 HB2 PHE 49 175.184 3.365 -1.245 371 2HB PHE 49 HB1 PHE 49 176.553 4.284 -0.627 372 HD1 PHE 49 HD1 PHE 49 177.754 3.352 1.434 373 HD2 PHE 49 HD2 PHE 49 175.094 1.065 -0.975 374 HE1 PHE 49 HE1 PHE 49 178.751 1.280 2.308 375 HE2 PHE 49 HE2 PHE 49 176.086 -1.011 -0.104 376 HZ PHE 49 HZ PHE 49 177.916 -0.904 1.539 377 H VAL 50 HN VAL 50 174.449 3.408 2.975 378 HA VAL 50 HA VAL 50 176.681 4.941 4.139 379 HB VAL 50 HB VAL 50 175.440 5.087 6.237 380 1HG1 VAL 50 HG11 VAL 50 173.441 6.465 5.291 381 2HG1 VAL 50 HG12 VAL 50 174.214 6.156 3.736 382 3HG1 VAL 50 HG13 VAL 50 175.097 7.002 5.006 383 1HG2 VAL 50 HG21 VAL 50 173.083 3.896 4.789 384 2HG2 VAL 50 HG22 VAL 50 173.198 4.332 6.494 385 3HG2 VAL 50 HG23 VAL 50 174.132 2.975 5.866 386 H GLU 51 HN GLU 51 176.674 3.761 6.678 387 HA GLU 51 HA GLU 51 177.267 0.943 6.064 388 1HB GLU 51 HB2 GLU 51 178.835 2.814 7.847 389 2HB GLU 51 HB1 GLU 51 179.145 1.092 7.676 390 1HG GLU 51 HG2 GLU 51 180.218 1.349 5.730 391 2HG GLU 51 HG1 GLU 51 179.085 2.568 5.149 392 H THR 52 HN THR 52 177.505 -0.353 8.172 393 HA THR 52 HA THR 52 175.045 -0.353 9.506 394 HB THR 52 HB THR 52 177.650 -1.600 10.401 395 HG1 THR 52 HG1 THR 52 175.620 -2.486 8.649 396 1HG2 THR 52 HG21 THR 52 176.046 -1.681 12.191 397 2HG2 THR 52 HG22 THR 52 176.227 -3.285 11.479 398 3HG2 THR 52 HG23 THR 52 174.810 -2.305 11.096 399 H ALA 53 HN ALA 53 174.693 -0.129 11.851 400 HA ALA 53 HA ALA 53 176.218 2.152 12.929 401 1HB ALA 53 HB1 ALA 53 174.309 3.138 13.620 402 2HB ALA 53 HB2 ALA 53 173.534 1.605 14.021 403 3HB ALA 53 HB3 ALA 53 173.590 2.153 12.346 404 H ASP 54 HN ASP 54 175.399 2.172 15.509 405 HA ASP 54 HA ASP 54 176.451 -0.377 16.539 406 1HB ASP 54 HB2 ASP 54 176.846 2.459 17.340 407 2HB ASP 54 HB1 ASP 54 176.812 1.258 18.627 408 H ASP 55 HN ASP 55 173.621 0.323 15.921 409 HA ASP 55 HA ASP 55 172.454 -0.785 18.274 410 1HB ASP 55 HB2 ASP 55 172.231 2.144 17.769 411 2HB ASP 55 HB1 ASP 55 170.793 1.301 18.336 412 H TRP 56 HN TRP 56 172.240 -2.105 16.183 413 HA TRP 56 HA TRP 56 169.980 -1.256 14.539 414 1HB TRP 56 HB2 TRP 56 172.293 -2.990 14.172 415 2HB TRP 56 HB1 TRP 56 170.792 -3.752 13.633 416 HD1 TRP 56 HD1 TRP 56 173.451 -1.577 12.395 417 HE1 TRP 56 HE1 TRP 56 172.741 -0.382 10.228 418 HE3 TRP 56 HE3 TRP 56 168.427 -2.494 12.573 419 HZ2 TRP 56 HZ2 TRP 56 170.363 0.104 8.784 420 HZ3 TRP 56 HZ3 TRP 56 167.004 -1.632 10.760 421 HH2 TRP 56 HH2 TRP 56 167.953 -0.359 8.906 422 H GLU 57 HN GLU 57 170.832 -3.581 16.994 423 HA GLU 57 HA GLU 57 168.638 -5.339 16.608 424 1HB GLU 57 HB2 GLU 57 170.362 -4.828 19.036 425 2HB GLU 57 HB1 GLU 57 169.190 -6.133 18.909 426 1HG GLU 57 HG2 GLU 57 170.440 -7.007 16.963 427 2HG GLU 57 HG1 GLU 57 171.650 -5.751 17.219 428 H GLU 58 HN GLU 58 167.160 -3.340 16.321 429 HA GLU 58 HA GLU 58 165.514 -3.182 18.676 430 1HB GLU 58 HB2 GLU 58 167.307 -1.000 17.907 431 2HB GLU 58 HB1 GLU 58 165.632 -0.497 18.089 432 1HG GLU 58 HG2 GLU 58 166.706 -2.196 20.241 433 2HG GLU 58 HG1 GLU 58 167.401 -0.582 20.105 434 H GLU 59 HN GLU 59 166.118 -1.673 15.510 435 HA GLU 59 HA GLU 59 163.313 -1.294 15.017 436 1HB GLU 59 HB2 GLU 59 164.299 -0.817 12.606 437 2HB GLU 59 HB1 GLU 59 164.440 0.351 13.909 438 1HG GLU 59 HG2 GLU 59 166.643 -1.595 13.666 439 2HG GLU 59 HG1 GLU 59 166.488 -0.416 12.366 440 H ILE 60 HN ILE 60 165.744 -3.124 13.128 441 HA ILE 60 HA ILE 60 163.706 -4.689 11.871 442 HB ILE 60 HB ILE 60 165.586 -5.961 10.877 443 1HG1 ILE 60 HG12 ILE 60 167.307 -4.064 12.492 444 2HG1 ILE 60 HG11 ILE 60 167.154 -5.800 12.768 445 1HG2 ILE 60 HG21 ILE 60 165.468 -2.980 10.724 446 2HG2 ILE 60 HG22 ILE 60 164.935 -4.185 9.552 447 3HG2 ILE 60 HG23 ILE 60 166.656 -3.870 9.772 448 1HD1 ILE 60 HD11 ILE 60 169.193 -5.392 11.605 449 2HD1 ILE 60 HD12 ILE 60 168.366 -4.432 10.377 450 3HD1 ILE 60 HD13 ILE 60 168.073 -6.169 10.489 451 H GLY 61 HN GLY 61 166.041 -5.235 14.469 452 1HA GLY 61 HA2 GLY 61 165.843 -6.741 16.234 453 2HA GLY 61 HA1 GLY 61 164.425 -7.427 15.455 454 H VAL 62 HN VAL 62 167.947 -7.375 15.447 455 HA VAL 62 HA VAL 62 168.368 -10.069 15.256 456 HB VAL 62 HB VAL 62 169.259 -9.909 12.704 457 1HG1 VAL 62 HG11 VAL 62 166.457 -10.781 12.917 458 2HG1 VAL 62 HG12 VAL 62 167.581 -11.482 14.083 459 3HG1 VAL 62 HG13 VAL 62 167.886 -11.649 12.355 460 1HG2 VAL 62 HG21 VAL 62 167.791 -7.662 12.735 461 2HG2 VAL 62 HG22 VAL 62 166.552 -8.821 12.255 462 3HG2 VAL 62 HG23 VAL 62 168.021 -8.652 11.294 463 H LEU 63 HN LEU 63 170.586 -10.599 15.147 464 HA LEU 63 HA LEU 63 172.347 -8.601 15.981 465 1HB LEU 63 HB2 LEU 63 172.400 -11.350 15.805 466 2HB LEU 63 HB1 LEU 63 173.639 -10.868 14.663 467 HG LEU 63 HG LEU 63 174.549 -11.321 16.905 468 1HD1 LEU 63 HD11 LEU 63 174.917 -8.407 16.678 469 2HD1 LEU 63 HD12 LEU 63 175.248 -9.345 15.222 470 3HD1 LEU 63 HD13 LEU 63 176.109 -9.706 16.718 471 1HD2 LEU 63 HD21 LEU 63 172.309 -10.166 17.873 472 2HD2 LEU 63 HD22 LEU 63 173.455 -8.836 18.038 473 3HD2 LEU 63 HD23 LEU 63 173.789 -10.387 18.807 474 H ILE 64 HN ILE 64 173.475 -7.105 14.932 475 HA ILE 64 HA ILE 64 173.911 -7.444 12.037 476 HB ILE 64 HB ILE 64 173.359 -4.813 13.410 477 1HG1 ILE 64 HG12 ILE 64 171.306 -6.023 13.457 478 2HG1 ILE 64 HG11 ILE 64 171.199 -4.916 12.094 479 1HG2 ILE 64 HG21 ILE 64 173.365 -5.418 10.467 480 2HG2 ILE 64 HG22 ILE 64 174.792 -4.849 11.334 481 3HG2 ILE 64 HG23 ILE 64 173.347 -3.842 11.258 482 1HD1 ILE 64 HD11 ILE 64 172.238 -7.198 10.968 483 2HD1 ILE 64 HD12 ILE 64 170.553 -6.679 10.912 484 3HD1 ILE 64 HD13 ILE 64 171.087 -7.811 12.155 485 H ASP 65 HN ASP 65 176.031 -8.100 12.182 486 HA ASP 65 HA ASP 65 177.958 -6.838 13.847 487 1HB ASP 65 HB2 ASP 65 178.126 -8.768 11.550 488 2HB ASP 65 HB1 ASP 65 179.581 -8.074 12.259 489 HA PRO 66 HA PRO 66 178.416 -3.208 11.238 490 1HB PRO 66 HB2 PRO 66 180.583 -2.190 12.583 491 2HB PRO 66 HB1 PRO 66 178.901 -1.945 13.076 492 1HG PRO 66 HG2 PRO 66 180.909 -3.914 14.100 493 2HG PRO 66 HG1 PRO 66 179.723 -2.948 15.000 494 1HD PRO 66 HD2 PRO 66 179.310 -5.548 14.463 495 2HD PRO 66 HD1 PRO 66 177.975 -4.376 14.475 496 H GLU 67 HN GLU 67 179.857 -2.509 9.651 497 HA GLU 67 HA GLU 67 181.528 -2.642 8.112 498 1HB GLU 67 HB2 GLU 67 182.996 -4.416 10.066 499 2HB GLU 67 HB1 GLU 67 183.685 -3.513 8.725 500 1HG GLU 67 HG2 GLU 67 183.731 -1.578 9.870 501 2HG GLU 67 HG1 GLU 67 182.225 -1.918 10.720 502 H GLU 68 HN GLU 68 179.655 -5.161 9.076 503 HA GLU 68 HA GLU 68 180.700 -6.954 6.996 504 1HB GLU 68 HB2 GLU 68 179.212 -7.538 9.551 505 2HB GLU 68 HB1 GLU 68 179.380 -8.730 8.262 506 1HG GLU 68 HG2 GLU 68 181.691 -8.874 8.534 507 2HG GLU 68 HG1 GLU 68 181.760 -7.355 9.439 508 H TYR 69 HN TYR 69 178.213 -4.844 7.761 509 HA TYR 69 HA TYR 69 176.522 -6.013 5.660 510 1HB TYR 69 HB2 TYR 69 175.614 -4.908 8.320 511 2HB TYR 69 HB1 TYR 69 174.522 -5.189 6.959 512 HD1 TYR 69 HD1 TYR 69 174.169 -7.521 6.140 513 HD2 TYR 69 HD2 TYR 69 176.332 -6.693 9.706 514 HE1 TYR 69 HE1 TYR 69 173.890 -9.858 6.846 515 HE2 TYR 69 HE2 TYR 69 176.060 -9.029 10.422 516 HH TYR 69 HH TYR 69 174.372 -10.919 9.932 517 H ALA 70 HN ALA 70 175.929 -4.607 4.113 518 HA ALA 70 HA ALA 70 176.765 -1.833 4.390 519 1HB ALA 70 HB1 ALA 70 175.940 -3.562 2.090 520 2HB ALA 70 HB2 ALA 70 177.437 -2.661 2.330 521 3HB ALA 70 HB3 ALA 70 175.948 -1.806 1.927 522 H GLU 71 HN GLU 71 175.402 -0.232 4.868 523 HA GLU 71 HA GLU 71 172.532 -0.840 4.834 524 1HB GLU 71 HB2 GLU 71 173.191 -0.231 7.019 525 2HB GLU 71 HB1 GLU 71 174.194 1.089 6.444 526 1HG GLU 71 HG2 GLU 71 172.019 2.198 5.692 527 2HG GLU 71 HG1 GLU 71 171.198 0.981 6.670 528 H VAL 72 HN VAL 72 171.448 -0.114 3.153 529 HA VAL 72 HA VAL 72 172.290 2.407 1.888 530 HB VAL 72 HB VAL 72 171.128 -0.106 0.786 531 1HG1 VAL 72 HG11 VAL 72 170.493 2.636 -0.280 532 2HG1 VAL 72 HG12 VAL 72 169.375 1.328 0.105 533 3HG1 VAL 72 HG13 VAL 72 170.450 1.188 -1.286 534 1HG2 VAL 72 HG21 VAL 72 173.447 0.273 0.436 535 2HG2 VAL 72 HG22 VAL 72 173.157 1.921 -0.122 536 3HG2 VAL 72 HG23 VAL 72 172.641 0.552 -1.107 537 H TRP 73 HN TRP 73 170.776 4.010 1.493 538 HA TRP 73 HA TRP 73 168.174 3.627 2.826 539 1HB TRP 73 HB2 TRP 73 170.118 5.894 2.879 540 2HB TRP 73 HB1 TRP 73 168.401 6.261 3.001 541 HD1 TRP 73 HD1 TRP 73 169.579 3.050 4.624 542 HE1 TRP 73 HE1 TRP 73 169.485 3.308 7.181 543 HE3 TRP 73 HE3 TRP 73 168.664 8.070 4.901 544 HZ2 TRP 73 HZ2 TRP 73 169.072 5.364 9.063 545 HZ3 TRP 73 HZ3 TRP 73 168.433 9.106 7.119 546 HH2 TRP 73 HH2 TRP 73 168.635 7.779 9.159 547 H VAL 74 HN VAL 74 166.353 4.224 1.782 548 HA VAL 74 HA VAL 74 166.641 5.462 -0.879 549 HB VAL 74 HB VAL 74 164.610 3.365 -0.089 550 1HG1 VAL 74 HG11 VAL 74 164.456 5.297 -2.070 551 2HG1 VAL 74 HG12 VAL 74 163.504 3.816 -1.968 552 3HG1 VAL 74 HG13 VAL 74 164.987 3.847 -2.922 553 1HG2 VAL 74 HG21 VAL 74 166.758 2.960 -2.129 554 2HG2 VAL 74 HG22 VAL 74 165.840 1.762 -1.218 555 3HG2 VAL 74 HG23 VAL 74 167.100 2.702 -0.418 556 H GLY 75 HN GLY 75 165.944 7.496 -0.602 557 1HA GLY 75 HA2 GLY 75 163.427 7.884 0.900 558 2HA GLY 75 HA1 GLY 75 164.729 9.059 0.867 559 H LEU 76 HN LEU 76 163.628 10.752 0.066 560 HA LEU 76 HA LEU 76 162.930 10.625 -2.763 561 1HB LEU 76 HB2 LEU 76 160.926 10.511 -0.839 562 2HB LEU 76 HB1 LEU 76 160.969 12.205 -1.284 563 HG LEU 76 HG LEU 76 160.443 11.719 -3.549 564 1HD1 LEU 76 HD11 LEU 76 161.740 9.867 -4.112 565 2HD1 LEU 76 HD12 LEU 76 160.082 9.266 -4.200 566 3HD1 LEU 76 HD13 LEU 76 161.085 8.891 -2.798 567 1HD2 LEU 76 HD21 LEU 76 158.825 10.580 -1.395 568 2HD2 LEU 76 HD22 LEU 76 158.454 9.931 -2.993 569 3HD2 LEU 76 HD23 LEU 76 158.370 11.669 -2.704 570 H VAL 77 HN VAL 77 165.163 11.688 -1.845 571 HA VAL 77 HA VAL 77 164.992 14.433 -1.114 572 HB VAL 77 HB VAL 77 166.957 13.048 -0.595 573 1HG1 VAL 77 HG11 VAL 77 167.000 11.755 -2.685 574 2HG1 VAL 77 HG12 VAL 77 168.570 12.463 -2.304 575 3HG1 VAL 77 HG13 VAL 77 167.552 13.191 -3.548 576 1HG2 VAL 77 HG21 VAL 77 168.579 14.725 -0.929 577 2HG2 VAL 77 HG22 VAL 77 167.036 15.568 -0.824 578 3HG2 VAL 77 HG23 VAL 77 167.793 15.307 -2.395 579 H ASN 78 HN ASN 78 165.874 16.221 -2.422 580 HA ASN 78 HA ASN 78 164.762 16.102 -5.100 581 1HB ASN 78 HB2 ASN 78 165.070 18.587 -5.055 582 2HB ASN 78 HB1 ASN 78 164.046 17.959 -3.775 583 1HD2 ASN 78 HD21 ASN 78 164.877 17.834 -1.651 584 2HD2 ASN 78 HD22 ASN 78 166.171 18.862 -1.148 585 H GLU 79 HN GLU 79 166.699 18.457 -5.748 586 HA GLU 79 HA GLU 79 168.507 16.846 -7.247 587 1HB GLU 79 HB2 GLU 79 169.402 19.000 -8.057 588 2HB GLU 79 HB1 GLU 79 167.654 18.892 -8.198 589 1HG GLU 79 HG2 GLU 79 167.759 20.083 -5.837 590 2HG GLU 79 HG1 GLU 79 169.319 20.618 -6.458 591 H GLN 80 HN GLN 80 168.989 19.175 -4.592 592 HA GLN 80 HA GLN 80 171.736 19.074 -4.404 593 1HB GLN 80 HB2 GLN 80 171.393 19.610 -1.966 594 2HB GLN 80 HB1 GLN 80 170.545 20.662 -3.098 595 1HG GLN 80 HG2 GLN 80 168.680 18.753 -2.657 596 2HG GLN 80 HG1 GLN 80 169.495 18.806 -1.094 597 1HE2 GLN 80 HE21 GLN 80 168.643 21.263 -3.511 598 2HE2 GLN 80 HE22 GLN 80 167.801 22.297 -2.414 599 H ASP 81 HN ASP 81 169.511 16.549 -3.688 600 HA ASP 81 HA ASP 81 169.703 14.500 -2.738 601 1HB ASP 81 HB2 ASP 81 171.650 13.218 -3.352 602 2HB ASP 81 HB1 ASP 81 171.226 14.274 -4.692 603 H GLU 82 HN GLU 82 169.728 16.339 -0.819 604 HA GLU 82 HA GLU 82 171.988 15.822 0.959 605 1HB GLU 82 HB2 GLU 82 170.162 17.982 0.548 606 2HB GLU 82 HB1 GLU 82 170.026 17.437 2.212 607 1HG GLU 82 HG2 GLU 82 172.207 17.988 2.717 608 2HG GLU 82 HG1 GLU 82 172.722 17.921 1.032 609 H MET 83 HN MET 83 169.853 13.818 0.285 610 HA MET 83 HA MET 83 168.249 12.481 1.308 611 1HB MET 83 HB2 MET 83 170.855 11.929 1.935 612 2HB MET 83 HB1 MET 83 170.102 11.967 3.523 613 1HG MET 83 HG2 MET 83 170.059 9.724 2.730 614 2HG MET 83 HG1 MET 83 168.410 10.347 2.700 615 1HE MET 83 HE1 MET 83 168.019 7.965 0.410 616 2HE MET 83 HE2 MET 83 167.137 9.307 -0.320 617 3HE MET 83 HE3 MET 83 167.234 9.166 1.436 618 H ASP 84 HN ASP 84 166.527 13.633 2.087 619 HA ASP 84 HA ASP 84 166.508 14.047 4.976 620 1HB ASP 84 HB2 ASP 84 167.040 16.228 3.609 621 2HB ASP 84 HB1 ASP 84 165.309 16.208 3.280 622 H ASP 85 HN ASP 85 165.345 11.945 3.818 623 HA ASP 85 HA ASP 85 162.803 11.812 4.725 624 1HB ASP 85 HB2 ASP 85 162.875 13.277 2.181 625 2HB ASP 85 HB1 ASP 85 161.765 11.901 2.168 626 H VAL 86 HN VAL 86 163.849 9.762 5.072 627 HA VAL 86 HA VAL 86 164.267 8.064 2.749 628 HB VAL 86 HB VAL 86 165.921 7.870 4.504 629 1HG1 VAL 86 HG11 VAL 86 165.218 8.331 6.571 630 2HG1 VAL 86 HG12 VAL 86 164.781 6.625 6.652 631 3HG1 VAL 86 HG13 VAL 86 163.564 7.828 6.224 632 1HG2 VAL 86 HG21 VAL 86 164.432 5.688 3.486 633 2HG2 VAL 86 HG22 VAL 86 164.865 5.311 5.154 634 3HG2 VAL 86 HG23 VAL 86 166.122 5.728 3.988 635 H PHE 87 HN PHE 87 162.980 6.451 2.101 636 HA PHE 87 HA PHE 87 160.341 6.219 3.314 637 1HB PHE 87 HB2 PHE 87 161.592 5.433 0.717 638 2HB PHE 87 HB1 PHE 87 160.199 4.513 1.270 639 HD1 PHE 87 HD1 PHE 87 158.273 5.128 0.237 640 HD2 PHE 87 HD2 PHE 87 161.123 8.136 1.200 641 HE1 PHE 87 HE1 PHE 87 156.779 6.837 -0.691 642 HE2 PHE 87 HE2 PHE 87 159.625 9.853 0.272 643 HZ PHE 87 HZ PHE 87 157.448 9.206 -0.675 644 H ALA 88 HN ALA 88 163.076 4.209 2.404 645 HA ALA 88 HA ALA 88 162.528 2.396 4.612 646 1HB ALA 88 HB1 ALA 88 163.005 1.247 1.876 647 2HB ALA 88 HB2 ALA 88 161.378 1.562 2.480 648 3HB ALA 88 HB3 ALA 88 162.431 0.431 3.330 649 H LYS 89 HN LYS 89 164.388 0.743 4.760 650 HA LYS 89 HA LYS 89 166.894 1.878 3.746 651 1HB LYS 89 HB2 LYS 89 166.968 0.768 6.492 652 2HB LYS 89 HB1 LYS 89 167.846 2.125 5.805 653 1HG LYS 89 HG2 LYS 89 165.441 3.228 5.834 654 2HG LYS 89 HG1 LYS 89 165.190 2.055 7.124 655 1HD LYS 89 HD2 LYS 89 167.614 3.078 7.795 656 2HD LYS 89 HD1 LYS 89 166.828 4.483 7.069 657 1HE LYS 89 HE2 LYS 89 165.704 2.786 9.294 658 2HE LYS 89 HE1 LYS 89 166.438 4.377 9.485 659 1HZ LYS 89 HZ1 LYS 89 164.255 4.196 7.575 660 2HZ LYS 89 HZ2 LYS 89 164.616 5.410 8.695 661 3HZ LYS 89 HZ3 LYS 89 163.830 4.001 9.201 662 H PHE 90 HN PHE 90 168.536 0.272 3.400 663 HA PHE 90 HA PHE 90 167.560 -2.494 3.703 664 1HB PHE 90 HB2 PHE 90 169.109 -1.400 1.352 665 2HB PHE 90 HB1 PHE 90 168.528 -3.052 1.539 666 HD1 PHE 90 HD1 PHE 90 166.570 -3.618 0.486 667 HD2 PHE 90 HD2 PHE 90 167.207 0.438 1.606 668 HE1 PHE 90 HE1 PHE 90 164.441 -2.993 -0.579 669 HE2 PHE 90 HE2 PHE 90 165.079 1.070 0.545 670 HZ PHE 90 HZ PHE 90 163.692 -0.647 -0.547 671 H LEU 91 HN LEU 91 168.973 -4.090 4.174 672 HA LEU 91 HA LEU 91 171.789 -3.393 4.624 673 1HB LEU 91 HB2 LEU 91 170.215 -5.107 6.529 674 2HB LEU 91 HB1 LEU 91 171.833 -4.468 6.745 675 HG LEU 91 HG LEU 91 169.331 -2.776 6.664 676 1HD1 LEU 91 HD11 LEU 91 169.059 -3.035 8.868 677 2HD1 LEU 91 HD12 LEU 91 170.794 -2.985 9.184 678 3HD1 LEU 91 HD13 LEU 91 170.033 -4.491 8.676 679 1HD2 LEU 91 HD21 LEU 91 172.013 -2.081 6.323 680 2HD2 LEU 91 HD22 LEU 91 171.629 -1.655 7.991 681 3HD2 LEU 91 HD23 LEU 91 170.664 -0.999 6.669 682 H ILE 92 HN ILE 92 173.138 -4.844 3.711 683 HA ILE 92 HA ILE 92 172.139 -7.573 3.269 684 HB ILE 92 HB ILE 92 173.625 -7.251 1.018 685 1HG1 ILE 92 HG12 ILE 92 172.301 -4.594 1.605 686 2HG1 ILE 92 HG11 ILE 92 174.000 -4.892 1.253 687 1HG2 ILE 92 HG21 ILE 92 171.093 -7.928 1.613 688 2HG2 ILE 92 HG22 ILE 92 171.685 -7.725 -0.035 689 3HG2 ILE 92 HG23 ILE 92 170.807 -6.415 0.754 690 1HD1 ILE 92 HD11 ILE 92 173.026 -3.935 -0.677 691 2HD1 ILE 92 HD12 ILE 92 171.671 -5.064 -0.632 692 3HD1 ILE 92 HD13 ILE 92 173.290 -5.644 -1.027 693 H SER 93 HN SER 93 173.639 -9.195 3.146 694 HA SER 93 HA SER 93 175.975 -8.879 4.718 695 1HB SER 93 HB2 SER 93 176.145 -11.175 4.657 696 2HB SER 93 HB1 SER 93 174.448 -10.990 4.218 697 HG SER 93 HG SER 93 176.498 -12.005 2.769 698 H HIS 94 HN HIS 94 178.013 -8.433 4.190 699 HA HIS 94 HA HIS 94 178.689 -7.720 1.494 700 1HB HIS 94 HB2 HIS 94 180.214 -7.773 4.094 701 2HB HIS 94 HB1 HIS 94 181.038 -7.463 2.565 702 HD1 HIS 94 HD1 HIS 94 180.942 -5.117 1.682 703 HD2 HIS 94 HD2 HIS 94 178.239 -5.760 4.759 704 HE1 HIS 94 HE1 HIS 94 179.982 -2.857 2.213 705 HE2 HIS 94 HE2 HIS 94 178.421 -3.258 4.147 706 H ARG 95 HN ARG 95 179.382 -10.429 3.628 707 HA ARG 95 HA ARG 95 181.442 -11.668 2.246 708 1HB ARG 95 HB2 ARG 95 180.608 -13.783 3.270 709 2HB ARG 95 HB1 ARG 95 180.788 -12.460 4.414 710 1HG ARG 95 HG2 ARG 95 178.337 -12.032 4.183 711 2HG ARG 95 HG1 ARG 95 178.234 -13.511 3.224 712 1HD ARG 95 HD2 ARG 95 178.887 -14.857 5.049 713 2HD ARG 95 HD1 ARG 95 179.424 -13.461 5.984 714 HE ARG 95 HE ARG 95 176.785 -14.519 5.856 715 1HH1 ARG 95 HH11 ARG 95 178.576 -11.543 6.195 716 2HH1 ARG 95 HH12 ARG 95 177.314 -10.737 7.064 717 1HH2 ARG 95 HH21 ARG 95 175.125 -13.461 7.000 718 2HH2 ARG 95 HH22 ARG 95 175.355 -11.826 7.522 719 H GLU 96 HN GLU 96 180.965 -14.046 1.332 720 HA GLU 96 HA GLU 96 179.280 -13.586 -1.023 721 1HB GLU 96 HB2 GLU 96 180.709 -14.994 -2.241 722 2HB GLU 96 HB1 GLU 96 181.781 -14.049 -1.216 723 1HG GLU 96 HG2 GLU 96 181.908 -15.941 0.353 724 2HG GLU 96 HG1 GLU 96 180.895 -16.886 -0.736 725 H GLU 97 HN GLU 97 180.151 -16.169 1.283 726 HA GLU 97 HA GLU 97 178.045 -17.897 0.396 727 1HB GLU 97 HB2 GLU 97 180.299 -18.089 2.128 728 2HB GLU 97 HB1 GLU 97 178.878 -18.549 3.055 729 1HG GLU 97 HG2 GLU 97 178.298 -20.135 1.211 730 2HG GLU 97 HG1 GLU 97 179.865 -19.768 0.492 731 H ASP 98 HN ASP 98 175.986 -18.042 1.110 732 HA ASP 98 HA ASP 98 174.046 -17.447 2.143 733 1HB ASP 98 HB2 ASP 98 176.056 -17.590 4.289 734 2HB ASP 98 HB1 ASP 98 174.655 -16.598 4.681 735 H ARG 99 HN ARG 99 173.062 -15.643 1.420 736 HA ARG 99 HA ARG 99 174.203 -13.057 2.226 737 1HB ARG 99 HB2 ARG 99 174.330 -13.809 -0.287 738 2HB ARG 99 HB1 ARG 99 172.618 -13.399 -0.308 739 1HG ARG 99 HG2 ARG 99 174.977 -11.582 0.106 740 2HG ARG 99 HG1 ARG 99 173.713 -11.504 -1.119 741 1HD ARG 99 HD2 ARG 99 173.234 -11.092 1.828 742 2HD ARG 99 HD1 ARG 99 173.504 -9.786 0.671 743 HE ARG 99 HE ARG 99 171.084 -11.223 1.083 744 1HH1 ARG 99 HH11 ARG 99 172.995 -9.628 -1.363 745 2HH1 ARG 99 HH12 ARG 99 171.640 -9.309 -2.392 746 1HH2 ARG 99 HH21 ARG 99 169.301 -10.808 -0.274 747 2HH2 ARG 99 HH22 ARG 99 169.543 -9.977 -1.774 748 H GLU 100 HN GLU 100 172.914 -12.210 3.699 749 HA GLU 100 HA GLU 100 170.014 -12.642 3.479 750 1HB GLU 100 HB2 GLU 100 169.982 -11.926 5.892 751 2HB GLU 100 HB1 GLU 100 170.828 -13.435 5.574 752 1HG GLU 100 HG2 GLU 100 172.963 -12.294 5.701 753 2HG GLU 100 HG1 GLU 100 172.143 -10.753 5.947 754 H PHE 101 HN PHE 101 168.664 -10.985 3.146 755 HA PHE 101 HA PHE 101 169.758 -8.257 3.319 756 1HB PHE 101 HB2 PHE 101 168.588 -7.620 1.341 757 2HB PHE 101 HB1 PHE 101 169.434 -9.114 0.959 758 HD1 PHE 101 HD1 PHE 101 166.371 -7.417 0.779 759 HD2 PHE 101 HD2 PHE 101 168.024 -11.305 1.291 760 HE1 PHE 101 HE1 PHE 101 164.248 -8.413 0.035 761 HE2 PHE 101 HE2 PHE 101 165.904 -12.308 0.547 762 HZ PHE 101 HZ PHE 101 164.013 -10.861 -0.082 763 H HIS 102 HN HIS 102 168.464 -6.708 4.242 764 HA HIS 102 HA HIS 102 165.739 -7.468 4.982 765 1HB HIS 102 HB2 HIS 102 166.552 -6.121 7.242 766 2HB HIS 102 HB1 HIS 102 166.356 -7.860 7.103 767 HD1 HIS 102 HD1 HIS 102 168.554 -5.806 8.643 768 HD2 HIS 102 HD2 HIS 102 169.161 -8.713 5.743 769 HE1 HIS 102 HE1 HIS 102 170.955 -6.511 8.887 770 HE2 HIS 102 HE2 HIS 102 171.277 -8.323 7.169 771 H VAL 103 HN VAL 103 164.361 -5.694 5.492 772 HA VAL 103 HA VAL 103 165.384 -3.021 4.999 773 HB VAL 103 HB VAL 103 164.854 -3.899 2.748 774 1HG1 VAL 103 HG11 VAL 103 162.529 -4.270 2.107 775 2HG1 VAL 103 HG12 VAL 103 162.019 -3.999 3.774 776 3HG1 VAL 103 HG13 VAL 103 163.021 -5.395 3.374 777 1HG2 VAL 103 HG21 VAL 103 163.521 -1.537 3.941 778 2HG2 VAL 103 HG22 VAL 103 163.047 -1.997 2.308 779 3HG2 VAL 103 HG23 VAL 103 164.735 -1.631 2.667 780 H ILE 104 HN ILE 104 164.207 -1.410 5.885 781 HA ILE 104 HA ILE 104 161.799 -2.217 7.381 782 HB ILE 104 HB ILE 104 162.362 0.015 8.650 783 1HG1 ILE 104 HG12 ILE 104 164.352 0.329 7.000 784 2HG1 ILE 104 HG11 ILE 104 164.585 0.700 8.704 785 1HG2 ILE 104 HG21 ILE 104 162.222 -2.244 9.600 786 2HG2 ILE 104 HG22 ILE 104 163.495 -1.273 10.343 787 3HG2 ILE 104 HG23 ILE 104 163.909 -2.517 9.162 788 1HD1 ILE 104 HD11 ILE 104 166.092 -0.935 8.977 789 2HD1 ILE 104 HD12 ILE 104 166.260 -0.799 7.227 790 3HD1 ILE 104 HD13 ILE 104 165.234 -2.055 7.919 791 H TRP 105 HN TRP 105 159.934 -1.138 7.095 792 HA TRP 105 HA TRP 105 159.947 1.054 5.126 793 1HB TRP 105 HB2 TRP 105 157.688 -0.819 5.855 794 2HB TRP 105 HB1 TRP 105 157.621 0.443 4.628 795 HD1 TRP 105 HD1 TRP 105 158.644 -3.128 5.161 796 HE1 TRP 105 HE1 TRP 105 159.568 -4.107 2.969 797 HE3 TRP 105 HE3 TRP 105 159.049 1.190 2.435 798 HZ2 TRP 105 HZ2 TRP 105 160.361 -3.180 0.427 799 HZ3 TRP 105 HZ3 TRP 105 159.896 1.051 0.136 800 HH2 TRP 105 HH2 TRP 105 160.541 -1.090 -0.848 801 H LYS 106 HN LYS 106 158.668 2.889 5.473 802 HA LYS 106 HA LYS 106 158.553 3.814 8.128 803 1HB LYS 106 HB2 LYS 106 158.192 4.894 5.532 804 2HB LYS 106 HB1 LYS 106 156.760 5.308 6.463 805 1HG LYS 106 HG2 LYS 106 158.241 6.234 8.227 806 2HG LYS 106 HG1 LYS 106 159.619 5.933 7.166 807 1HD LYS 106 HD2 LYS 106 159.242 8.032 6.453 808 2HD LYS 106 HD1 LYS 106 157.954 7.291 5.501 809 1HE LYS 106 HE2 LYS 106 156.907 7.751 8.081 810 2HE LYS 106 HE1 LYS 106 157.765 9.218 7.609 811 1HZ LYS 106 HZ1 LYS 106 155.364 8.026 6.477 812 2HZ LYS 106 HZ2 LYS 106 156.445 8.714 5.372 813 3HZ LYS 106 HZ3 LYS 106 155.801 9.655 6.622 814 H LYS 107 HN LYS 107 156.713 4.402 9.397 815 HA LYS 107 HA LYS 107 154.146 3.236 8.693 816 1HB LYS 107 HB2 LYS 107 153.967 1.958 10.774 817 2HB LYS 107 HB1 LYS 107 155.303 1.381 9.788 818 1HG LYS 107 HG2 LYS 107 156.617 3.142 11.319 819 2HG LYS 107 HG1 LYS 107 155.320 2.694 12.428 820 1HD LYS 107 HD2 LYS 107 156.025 0.521 12.594 821 2HD LYS 107 HD1 LYS 107 156.752 0.522 10.986 822 1HE LYS 107 HE2 LYS 107 158.513 2.064 11.887 823 2HE LYS 107 HE1 LYS 107 157.839 1.789 13.494 824 1HZ LYS 107 HZ1 LYS 107 158.470 -0.590 11.947 825 2HZ LYS 107 HZ2 LYS 107 158.692 -0.278 13.594 826 3HZ LYS 107 HZ3 LYS 107 159.795 0.326 12.464
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