NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12928 | 1ttv | 6248 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASN 13 HT1 ASN 13 16.399 6.630 -11.109 2 2H ASN 13 HT2 ASN 13 17.878 7.301 -11.665 3 3H ASN 13 HT3 ASN 13 16.383 7.986 -12.156 4 HA ASN 13 HA ASN 13 15.949 8.400 -9.752 5 1HB ASN 13 HB2 ASN 13 17.938 8.498 -8.331 6 2HB ASN 13 HB1 ASN 13 17.715 6.867 -8.957 7 1HD2 ASN 13 HD21 ASN 13 20.129 7.786 -7.948 8 2HD2 ASN 13 HD22 ASN 13 21.281 7.859 -9.233 9 H HIS 14 HN HIS 14 18.366 9.167 -12.157 10 HA HIS 14 HA HIS 14 18.252 12.004 -11.415 11 1HB HIS 14 HB2 HIS 14 20.453 10.622 -11.849 12 2HB HIS 14 HB1 HIS 14 20.081 10.954 -13.537 13 HD1 HIS 14 HD1 HIS 14 19.298 13.796 -13.617 14 HD2 HIS 14 HD2 HIS 14 22.288 12.436 -11.073 15 HE1 HIS 14 HE1 HIS 14 20.700 15.816 -13.086 16 HE2 HIS 14 HE2 HIS 14 22.553 14.951 -11.614 17 H ILE 15 HN ILE 15 16.314 12.659 -12.315 18 HA ILE 15 HA ILE 15 16.032 12.315 -15.226 19 HB ILE 15 HB ILE 15 13.846 13.070 -13.290 20 1HG1 ILE 15 HG12 ILE 15 13.179 10.577 -14.015 21 2HG1 ILE 15 HG11 ILE 15 14.930 10.422 -14.102 22 1HG2 ILE 15 HG21 ILE 15 12.358 12.480 -15.125 23 2HG2 ILE 15 HG22 ILE 15 13.747 12.081 -16.136 24 3HG2 ILE 15 HG23 ILE 15 13.486 13.745 -15.612 25 1HD1 ILE 15 HD11 ILE 15 13.377 11.339 -11.694 26 2HD1 ILE 15 HD12 ILE 15 15.125 11.116 -11.788 27 3HD1 ILE 15 HD13 ILE 15 14.049 9.726 -11.937 28 H SER 16 HN SER 16 14.931 14.671 -12.782 29 HA SER 16 HA SER 16 16.366 16.847 -13.861 30 1HB SER 16 HB2 SER 16 14.910 16.760 -15.754 31 2HB SER 16 HB1 SER 16 13.486 16.568 -14.731 32 HG SER 16 HG SER 16 14.494 18.808 -15.638 33 H THR 17 HN THR 17 12.991 16.716 -12.749 34 HA THR 17 HA THR 17 13.643 17.388 -10.052 35 HB THR 17 HB THR 17 12.206 19.625 -10.400 36 HG1 THR 17 HG1 THR 17 13.753 19.451 -12.765 37 1HG2 THR 17 HG21 THR 17 14.704 19.186 -9.603 38 2HG2 THR 17 HG22 THR 17 14.067 20.801 -9.914 39 3HG2 THR 17 HG23 THR 17 15.040 19.985 -11.138 40 H SER 18 HN SER 18 11.032 17.983 -12.414 41 HA SER 18 HA SER 18 9.138 16.807 -10.502 42 1HB SER 18 HB2 SER 18 8.808 19.157 -11.535 43 2HB SER 18 HB1 SER 18 8.354 18.289 -13.002 44 HG SER 18 HG SER 18 6.786 18.864 -11.034 45 H ASP 19 HN ASP 19 9.076 14.659 -10.825 46 HA ASP 19 HA ASP 19 8.002 13.682 -13.312 47 1HB ASP 19 HB2 ASP 19 9.921 11.875 -13.304 48 2HB ASP 19 HB1 ASP 19 10.130 13.407 -14.144 49 H GLN 20 HN GLN 20 7.357 13.781 -10.427 50 HA GLN 20 HA GLN 20 7.230 10.911 -9.823 51 1HB GLN 20 HB2 GLN 20 8.226 11.951 -7.986 52 2HB GLN 20 HB1 GLN 20 7.207 13.376 -8.114 53 1HG GLN 20 HG2 GLN 20 5.312 12.137 -7.276 54 2HG GLN 20 HG1 GLN 20 6.270 10.659 -7.222 55 1HE2 GLN 20 HE21 GLN 20 8.340 10.897 -5.909 56 2HE2 GLN 20 HE22 GLN 20 8.189 11.709 -4.392 57 H GLU 21 HN GLU 21 5.305 9.886 -9.625 58 HA GLU 21 HA GLU 21 2.973 11.217 -10.657 59 1HB GLU 21 HB2 GLU 21 3.594 8.410 -9.795 60 2HB GLU 21 HB1 GLU 21 1.934 8.899 -10.107 61 1HG GLU 21 HG2 GLU 21 3.080 9.802 -12.348 62 2HG GLU 21 HG1 GLU 21 4.173 8.469 -11.979 63 H LYS 22 HN LYS 22 0.978 11.478 -9.597 64 HA LYS 22 HA LYS 22 1.058 12.512 -7.031 65 1HB LYS 22 HB2 LYS 22 -1.500 12.049 -7.090 66 2HB LYS 22 HB1 LYS 22 -0.802 13.180 -8.241 67 1HG LYS 22 HG2 LYS 22 -0.928 10.386 -9.146 68 2HG LYS 22 HG1 LYS 22 -2.485 11.181 -8.901 69 1HD LYS 22 HD2 LYS 22 -2.148 12.665 -10.595 70 2HD LYS 22 HD1 LYS 22 -0.400 12.704 -10.354 71 1HE LYS 22 HE2 LYS 22 -0.501 11.567 -12.335 72 2HE LYS 22 HE1 LYS 22 -0.569 10.217 -11.204 73 1HZ LYS 22 HZ1 LYS 22 -2.981 11.507 -12.351 74 2HZ LYS 22 HZ2 LYS 22 -2.905 10.060 -11.478 75 3HZ LYS 22 HZ3 LYS 22 -2.241 10.145 -13.031 76 H LEU 23 HN LEU 23 1.233 11.620 -5.090 77 HA LEU 23 HA LEU 23 0.606 8.763 -4.813 78 1HB LEU 23 HB2 LEU 23 2.302 8.539 -3.244 79 2HB LEU 23 HB1 LEU 23 2.986 9.621 -4.428 80 HG LEU 23 HG LEU 23 1.891 10.400 -1.734 81 1HD1 LEU 23 HD11 LEU 23 4.665 10.137 -2.860 82 2HD1 LEU 23 HD12 LEU 23 3.986 9.357 -1.432 83 3HD1 LEU 23 HD13 LEU 23 4.310 11.090 -1.420 84 1HD2 LEU 23 HD21 LEU 23 2.857 12.004 -4.062 85 2HD2 LEU 23 HD22 LEU 23 3.047 12.603 -2.415 86 3HD2 LEU 23 HD23 LEU 23 1.438 12.255 -3.047 87 H VAL 24 HN VAL 24 -0.671 8.025 -3.159 88 HA VAL 24 HA VAL 24 -2.302 10.065 -1.838 89 HB VAL 24 HB VAL 24 -3.849 8.158 -1.347 90 1HG1 VAL 24 HG11 VAL 24 -3.143 9.084 -4.080 91 2HG1 VAL 24 HG12 VAL 24 -4.615 9.339 -3.144 92 3HG1 VAL 24 HG13 VAL 24 -4.323 7.784 -3.922 93 1HG2 VAL 24 HG21 VAL 24 -1.833 6.507 -1.697 94 2HG2 VAL 24 HG22 VAL 24 -2.391 6.528 -3.370 95 3HG2 VAL 24 HG23 VAL 24 -3.483 6.016 -2.083 96 H GLN 25 HN GLN 25 -3.123 9.448 0.390 97 HA GLN 25 HA GLN 25 -0.843 8.500 1.981 98 1HB GLN 25 HB2 GLN 25 -1.506 10.817 2.392 99 2HB GLN 25 HB1 GLN 25 -3.143 10.295 2.761 100 1HG GLN 25 HG2 GLN 25 -2.477 10.304 4.881 101 2HG GLN 25 HG1 GLN 25 -1.663 8.791 4.488 102 1HE2 GLN 25 HE21 GLN 25 -1.127 11.236 6.278 103 2HE2 GLN 25 HE22 GLN 25 0.534 11.596 5.966 104 HA PRO 26 HA PRO 26 -3.558 4.948 2.756 105 1HB PRO 26 HB2 PRO 26 -1.209 4.053 4.309 106 2HB PRO 26 HB1 PRO 26 -2.052 3.240 2.989 107 1HG PRO 26 HG2 PRO 26 0.377 4.299 2.636 108 2HG PRO 26 HG1 PRO 26 -0.849 4.365 1.356 109 1HD PRO 26 HD2 PRO 26 0.004 6.504 3.277 110 2HD PRO 26 HD1 PRO 26 -0.340 6.625 1.538 111 H THR 27 HN THR 27 -4.658 4.212 4.600 112 HA THR 27 HA THR 27 -4.978 6.019 6.713 113 HB THR 27 HB THR 27 -6.241 4.188 7.826 114 HG1 THR 27 HG1 THR 27 -6.006 2.192 7.221 115 1HG2 THR 27 HG21 THR 27 -6.856 5.358 5.340 116 2HG2 THR 27 HG22 THR 27 -7.962 4.707 6.551 117 3HG2 THR 27 HG23 THR 27 -7.352 3.667 5.264 118 HA PRO 28 HA PRO 28 -1.672 5.483 9.573 119 1HB PRO 28 HB2 PRO 28 -3.823 4.817 11.550 120 2HB PRO 28 HB1 PRO 28 -2.459 5.931 11.708 121 1HG PRO 28 HG2 PRO 28 -4.915 6.845 11.221 122 2HG PRO 28 HG1 PRO 28 -3.495 7.590 10.465 123 1HD PRO 28 HD2 PRO 28 -5.575 5.841 9.270 124 2HD PRO 28 HD1 PRO 28 -4.590 7.107 8.512 125 H LEU 29 HN LEU 29 -4.218 3.063 9.413 126 HA LEU 29 HA LEU 29 -2.719 1.015 10.739 127 1HB LEU 29 HB2 LEU 29 -5.122 0.908 10.770 128 2HB LEU 29 HB1 LEU 29 -5.196 0.935 9.020 129 HG LEU 29 HG LEU 29 -4.358 -1.288 8.854 130 1HD1 LEU 29 HD11 LEU 29 -2.707 -1.747 10.314 131 2HD1 LEU 29 HD12 LEU 29 -4.022 -2.403 11.288 132 3HD1 LEU 29 HD13 LEU 29 -3.424 -0.773 11.597 133 1HD2 LEU 29 HD21 LEU 29 -6.039 -2.550 10.043 134 2HD2 LEU 29 HD22 LEU 29 -6.738 -1.040 9.460 135 3HD2 LEU 29 HD23 LEU 29 -6.300 -1.210 11.159 136 H LEU 30 HN LEU 30 -3.781 1.374 7.343 137 HA LEU 30 HA LEU 30 -2.197 -0.657 6.275 138 1HB LEU 30 HB2 LEU 30 -4.040 0.517 5.085 139 2HB LEU 30 HB1 LEU 30 -3.004 1.922 4.925 140 HG LEU 30 HG LEU 30 -1.487 0.713 3.486 141 1HD1 LEU 30 HD11 LEU 30 -3.108 -1.630 4.351 142 2HD1 LEU 30 HD12 LEU 30 -1.361 -1.469 4.173 143 3HD1 LEU 30 HD13 LEU 30 -2.381 -1.638 2.744 144 1HD2 LEU 30 HD21 LEU 30 -4.109 -0.087 2.348 145 2HD2 LEU 30 HD22 LEU 30 -2.775 0.801 1.611 146 3HD2 LEU 30 HD23 LEU 30 -3.863 1.617 2.735 147 H LEU 31 HN LEU 31 -1.509 2.726 6.909 148 HA LEU 31 HA LEU 31 0.875 3.149 5.645 149 1HB LEU 31 HB2 LEU 31 -0.541 4.279 7.866 150 2HB LEU 31 HB1 LEU 31 1.167 4.223 8.252 151 HG LEU 31 HG LEU 31 -0.129 5.629 5.922 152 1HD1 LEU 31 HD11 LEU 31 1.103 6.460 8.498 153 2HD1 LEU 31 HD12 LEU 31 -0.322 7.087 7.670 154 3HD1 LEU 31 HD13 LEU 31 1.290 7.507 7.091 155 1HD2 LEU 31 HD21 LEU 31 2.254 6.396 5.488 156 2HD2 LEU 31 HD22 LEU 31 1.850 4.749 5.010 157 3HD2 LEU 31 HD23 LEU 31 2.759 5.039 6.493 158 H SER 32 HN SER 32 0.635 2.028 9.028 159 HA SER 32 HA SER 32 3.273 1.450 9.502 160 1HB SER 32 HB2 SER 32 1.162 1.233 11.036 161 2HB SER 32 HB1 SER 32 1.166 -0.446 10.497 162 HG SER 32 HG SER 32 3.291 -0.626 11.295 163 H LEU 33 HN LEU 33 0.871 -0.663 7.939 164 HA LEU 33 HA LEU 33 2.433 -2.953 7.698 165 1HB LEU 33 HB2 LEU 33 0.655 -2.102 5.447 166 2HB LEU 33 HB1 LEU 33 0.931 -3.707 6.086 167 HG LEU 33 HG LEU 33 -0.763 -1.526 7.288 168 1HD1 LEU 33 HD11 LEU 33 -2.145 -2.596 5.829 169 2HD1 LEU 33 HD12 LEU 33 -2.335 -3.650 7.230 170 3HD1 LEU 33 HD13 LEU 33 -1.251 -4.113 5.919 171 1HD2 LEU 33 HD21 LEU 33 -0.169 -4.210 8.519 172 2HD2 LEU 33 HD22 LEU 33 -1.119 -2.894 9.207 173 3HD2 LEU 33 HD23 LEU 33 0.624 -2.713 9.007 174 H LEU 34 HN LEU 34 2.314 -0.053 5.701 175 HA LEU 34 HA LEU 34 4.198 -1.000 3.761 176 1HB LEU 34 HB2 LEU 34 3.521 1.877 4.398 177 2HB LEU 34 HB1 LEU 34 4.183 1.251 2.904 178 HG LEU 34 HG LEU 34 1.407 0.691 3.947 179 1HD1 LEU 34 HD11 LEU 34 0.616 2.142 2.230 180 2HD1 LEU 34 HD12 LEU 34 2.241 2.351 1.578 181 3HD1 LEU 34 HD13 LEU 34 1.831 3.023 3.156 182 1HD2 LEU 34 HD21 LEU 34 1.008 -0.497 1.944 183 2HD2 LEU 34 HD22 LEU 34 2.536 -1.113 2.577 184 3HD2 LEU 34 HD23 LEU 34 2.536 0.035 1.239 185 H LYS 35 HN LYS 35 4.283 1.014 6.640 186 HA LYS 35 HA LYS 35 6.891 1.908 6.612 187 1HB LYS 35 HB2 LYS 35 5.179 1.052 8.951 188 2HB LYS 35 HB1 LYS 35 6.682 1.942 9.112 189 1HG LYS 35 HG2 LYS 35 4.149 2.873 7.789 190 2HG LYS 35 HG1 LYS 35 4.863 3.476 9.284 191 1HD LYS 35 HD2 LYS 35 6.914 4.018 7.795 192 2HD LYS 35 HD1 LYS 35 5.773 3.869 6.458 193 1HE LYS 35 HE2 LYS 35 5.709 6.138 6.959 194 2HE LYS 35 HE1 LYS 35 4.307 5.496 7.814 195 1HZ LYS 35 HZ1 LYS 35 5.249 6.736 9.452 196 2HZ LYS 35 HZ2 LYS 35 6.829 6.523 8.887 197 3HZ LYS 35 HZ3 LYS 35 6.060 5.278 9.736 198 H SER 36 HN SER 36 5.623 -1.164 7.838 199 HA SER 36 HA SER 36 8.262 -2.116 8.539 200 1HB SER 36 HB2 SER 36 5.523 -2.898 9.086 201 2HB SER 36 HB1 SER 36 6.496 -4.288 8.607 202 HG SER 36 HG SER 36 6.424 -3.442 10.952 203 H ALA 37 HN ALA 37 6.215 -2.169 5.783 204 HA ALA 37 HA ALA 37 7.377 -4.536 4.610 205 1HB ALA 37 HB1 ALA 37 5.550 -2.443 3.430 206 2HB ALA 37 HB2 ALA 37 5.068 -3.992 4.123 207 3HB ALA 37 HB3 ALA 37 6.023 -3.949 2.641 208 H GLY 38 HN GLY 38 8.672 -1.598 5.148 209 1HA GLY 38 HA2 GLY 38 10.907 -1.236 4.226 210 2HA GLY 38 HA1 GLY 38 10.266 -1.724 2.665 211 H ALA 39 HN ALA 39 7.820 0.000 3.803 212 HA ALA 39 HA ALA 39 8.477 2.298 2.242 213 1HB ALA 39 HB1 ALA 39 6.138 1.055 3.015 214 2HB ALA 39 HB2 ALA 39 6.266 2.588 2.162 215 3HB ALA 39 HB3 ALA 39 6.114 2.570 3.919 216 H GLN 40 HN GLN 40 8.738 4.495 3.010 217 HA GLN 40 HA GLN 40 9.396 4.666 5.876 218 1HB GLN 40 HB2 GLN 40 10.853 5.506 3.476 219 2HB GLN 40 HB1 GLN 40 10.739 6.760 4.703 220 1HG GLN 40 HG2 GLN 40 12.583 5.797 5.517 221 2HG GLN 40 HG1 GLN 40 11.449 4.647 6.224 222 1HE2 GLN 40 HE21 GLN 40 12.573 2.802 6.168 223 2HE2 GLN 40 HE22 GLN 40 13.223 2.081 4.739 224 H LYS 41 HN LYS 41 8.726 6.949 3.214 225 HA LYS 41 HA LYS 41 7.725 9.015 4.738 226 1HB LYS 41 HB2 LYS 41 6.464 9.678 2.649 227 2HB LYS 41 HB1 LYS 41 8.194 9.434 2.455 228 1HG LYS 41 HG2 LYS 41 6.629 7.027 1.963 229 2HG LYS 41 HG1 LYS 41 6.234 8.360 0.878 230 1HD LYS 41 HD2 LYS 41 8.773 8.591 0.564 231 2HD LYS 41 HD1 LYS 41 8.869 6.983 1.281 232 1HE LYS 41 HE2 LYS 41 6.838 6.977 -0.722 233 2HE LYS 41 HE1 LYS 41 8.305 7.677 -1.403 234 1HZ LYS 41 HZ1 LYS 41 7.870 5.083 -1.343 235 2HZ LYS 41 HZ2 LYS 41 8.608 5.241 0.171 236 3HZ LYS 41 HZ3 LYS 41 9.426 5.737 -1.224 237 H GLU 42 HN GLU 42 5.292 9.800 4.308 238 HA GLU 42 HA GLU 42 3.635 7.743 5.568 239 1HB GLU 42 HB2 GLU 42 2.121 9.648 6.112 240 2HB GLU 42 HB1 GLU 42 3.736 9.808 6.788 241 1HG GLU 42 HG2 GLU 42 3.263 11.050 4.148 242 2HG GLU 42 HG1 GLU 42 2.476 11.793 5.540 243 H THR 43 HN THR 43 3.913 9.609 2.654 244 HA THR 43 HA THR 43 1.301 8.622 1.729 245 HB THR 43 HB THR 43 2.722 10.487 -0.020 246 HG1 THR 43 HG1 THR 43 1.940 11.344 2.564 247 1HG2 THR 43 HG21 THR 43 0.468 10.197 -0.512 248 2HG2 THR 43 HG22 THR 43 0.554 11.769 0.281 249 3HG2 THR 43 HG23 THR 43 -0.014 10.361 1.175 250 H PHE 44 HN PHE 44 1.130 7.656 -0.360 251 HA PHE 44 HA PHE 44 3.518 6.977 -1.823 252 1HB PHE 44 HB2 PHE 44 1.886 4.727 -0.637 253 2HB PHE 44 HB1 PHE 44 3.327 4.577 -1.629 254 HD1 PHE 44 HD1 PHE 44 2.060 5.592 1.679 255 HD2 PHE 44 HD2 PHE 44 5.480 4.664 -0.678 256 HE1 PHE 44 HE1 PHE 44 3.430 5.465 3.720 257 HE2 PHE 44 HE2 PHE 44 6.853 4.548 1.361 258 HZ PHE 44 HZ PHE 44 5.830 4.949 3.560 259 H THR 45 HN THR 45 3.112 6.276 -3.895 260 HA THR 45 HA THR 45 0.471 6.787 -4.916 261 HB THR 45 HB THR 45 1.441 6.381 -7.106 262 HG1 THR 45 HG1 THR 45 3.816 5.596 -5.782 263 1HG2 THR 45 HG21 THR 45 1.978 8.555 -6.234 264 2HG2 THR 45 HG22 THR 45 3.358 7.919 -7.128 265 3HG2 THR 45 HG23 THR 45 3.364 7.900 -5.364 266 H MET 46 HN MET 46 -0.809 5.233 -6.068 267 HA MET 46 HA MET 46 -1.408 2.940 -4.786 268 1HB MET 46 HB2 MET 46 -1.946 4.012 -7.418 269 2HB MET 46 HB1 MET 46 -1.879 2.254 -7.447 270 1HG MET 46 HG2 MET 46 -3.380 2.639 -5.249 271 2HG MET 46 HG1 MET 46 -3.831 4.056 -6.192 272 1HE MET 46 HE1 MET 46 -3.611 0.532 -5.636 273 2HE MET 46 HE2 MET 46 -3.834 -0.238 -7.208 274 3HE MET 46 HE3 MET 46 -5.221 0.029 -6.155 275 H LYS 47 HN LYS 47 0.939 3.156 -7.457 276 HA LYS 47 HA LYS 47 1.538 0.442 -7.661 277 1HB LYS 47 HB2 LYS 47 2.485 2.797 -8.802 278 2HB LYS 47 HB1 LYS 47 3.893 2.126 -7.992 279 1HG LYS 47 HG2 LYS 47 3.848 1.349 -10.256 280 2HG LYS 47 HG1 LYS 47 3.508 -0.009 -9.181 281 1HD LYS 47 HD2 LYS 47 1.977 -0.162 -10.992 282 2HD LYS 47 HD1 LYS 47 1.062 0.415 -9.597 283 1HE LYS 47 HE2 LYS 47 1.360 2.737 -10.449 284 2HE LYS 47 HE1 LYS 47 2.108 2.062 -11.896 285 1HZ LYS 47 HZ1 LYS 47 0.117 1.111 -12.574 286 2HZ LYS 47 HZ2 LYS 47 -0.369 2.613 -11.967 287 3HZ LYS 47 HZ3 LYS 47 -0.588 1.216 -11.039 288 H GLU 48 HN GLU 48 3.240 2.921 -5.726 289 HA GLU 48 HA GLU 48 5.001 1.112 -4.471 290 1HB GLU 48 HB2 GLU 48 4.000 3.725 -3.341 291 2HB GLU 48 HB1 GLU 48 5.475 2.884 -2.899 292 1HG GLU 48 HG2 GLU 48 5.271 3.508 -5.747 293 2HG GLU 48 HG1 GLU 48 5.304 4.921 -4.693 294 H VAL 49 HN VAL 49 1.845 2.406 -3.514 295 HA VAL 49 HA VAL 49 1.669 1.265 -0.970 296 HB VAL 49 HB VAL 49 -0.708 1.470 -2.808 297 1HG1 VAL 49 HG11 VAL 49 -0.248 1.184 0.065 298 2HG1 VAL 49 HG12 VAL 49 -1.661 0.775 -0.908 299 3HG1 VAL 49 HG13 VAL 49 -1.422 2.432 -0.355 300 1HG2 VAL 49 HG21 VAL 49 -0.401 3.652 -3.091 301 2HG2 VAL 49 HG22 VAL 49 1.083 3.597 -2.136 302 3HG2 VAL 49 HG23 VAL 49 -0.467 3.870 -1.341 303 H LEU 50 HN LEU 50 0.405 0.035 -4.053 304 HA LEU 50 HA LEU 50 -0.368 -2.491 -3.069 305 1HB LEU 50 HB2 LEU 50 -0.447 -1.077 -5.522 306 2HB LEU 50 HB1 LEU 50 0.309 -2.621 -5.852 307 HG LEU 50 HG LEU 50 -2.328 -2.364 -4.418 308 1HD1 LEU 50 HD11 LEU 50 -2.273 -3.239 -7.233 309 2HD1 LEU 50 HD12 LEU 50 -2.013 -1.519 -6.946 310 3HD1 LEU 50 HD13 LEU 50 -3.480 -2.299 -6.356 311 1HD2 LEU 50 HD21 LEU 50 -2.514 -4.733 -5.381 312 2HD2 LEU 50 HD22 LEU 50 -1.452 -4.482 -3.995 313 3HD2 LEU 50 HD23 LEU 50 -0.769 -4.627 -5.615 314 H TYR 51 HN TYR 51 2.709 -1.199 -3.725 315 HA TYR 51 HA TYR 51 3.959 -3.712 -4.402 316 1HB TYR 51 HB2 TYR 51 4.739 -1.494 -5.288 317 2HB TYR 51 HB1 TYR 51 5.313 -1.112 -3.669 318 HD1 TYR 51 HD1 TYR 51 5.990 -2.890 -6.739 319 HD2 TYR 51 HD2 TYR 51 7.148 -2.487 -2.665 320 HE1 TYR 51 HE1 TYR 51 8.114 -4.023 -7.237 321 HE2 TYR 51 HE2 TYR 51 9.277 -3.618 -3.152 322 HH TYR 51 HH TYR 51 9.860 -5.241 -6.118 323 H HIS 52 HN HIS 52 4.279 -1.434 -1.641 324 HA HIS 52 HA HIS 52 5.832 -3.245 -0.105 325 1HB HIS 52 HB2 HIS 52 4.163 -1.130 1.202 326 2HB HIS 52 HB1 HIS 52 5.779 -1.681 1.611 327 HD1 HIS 52 HD1 HIS 52 7.602 -1.035 -0.434 328 HD2 HIS 52 HD2 HIS 52 4.194 1.294 0.034 329 HE1 HIS 52 HE1 HIS 52 8.132 1.163 -1.533 330 HE2 HIS 52 HE2 HIS 52 6.118 2.605 -1.089 331 H LEU 53 HN LEU 53 2.398 -2.745 -0.482 332 HA LEU 53 HA LEU 53 1.544 -4.098 1.826 333 1HB LEU 53 HB2 LEU 53 0.106 -2.597 0.560 334 2HB LEU 53 HB1 LEU 53 0.191 -3.658 -0.836 335 HG LEU 53 HG LEU 53 -0.894 -5.420 0.517 336 1HD1 LEU 53 HD11 LEU 53 -0.737 -3.282 2.548 337 2HD1 LEU 53 HD12 LEU 53 -0.669 -5.035 2.738 338 3HD1 LEU 53 HD13 LEU 53 -2.223 -4.233 2.508 339 1HD2 LEU 53 HD21 LEU 53 -2.448 -2.854 0.234 340 2HD2 LEU 53 HD22 LEU 53 -3.137 -4.472 0.359 341 3HD2 LEU 53 HD23 LEU 53 -2.166 -4.034 -1.046 342 H GLY 54 HN GLY 54 2.199 -5.148 -1.497 343 1HA GLY 54 HA2 GLY 54 1.327 -7.821 -1.177 344 2HA GLY 54 HA1 GLY 54 2.468 -7.252 -2.392 345 H GLN 55 HN GLN 55 4.403 -6.212 -0.606 346 HA GLN 55 HA GLN 55 5.838 -8.606 0.006 347 1HB GLN 55 HB2 GLN 55 6.444 -5.707 0.624 348 2HB GLN 55 HB1 GLN 55 7.560 -7.038 0.900 349 1HG GLN 55 HG2 GLN 55 7.328 -7.536 -1.582 350 2HG GLN 55 HG1 GLN 55 6.561 -5.954 -1.710 351 1HE2 GLN 55 HE21 GLN 55 7.921 -4.280 -0.292 352 2HE2 GLN 55 HE22 GLN 55 9.595 -4.232 -0.718 353 H TYR 56 HN TYR 56 3.836 -6.375 1.759 354 HA TYR 56 HA TYR 56 4.663 -6.932 4.382 355 1HB TYR 56 HB2 TYR 56 3.235 -5.042 3.979 356 2HB TYR 56 HB1 TYR 56 1.993 -6.060 3.261 357 HD1 TYR 56 HD1 TYR 56 3.470 -4.868 6.381 358 HD2 TYR 56 HD2 TYR 56 0.545 -7.434 4.664 359 HE1 TYR 56 HE1 TYR 56 2.387 -5.093 8.578 360 HE2 TYR 56 HE2 TYR 56 -0.553 -7.656 6.851 361 HH TYR 56 HH TYR 56 0.845 -6.925 9.693 362 H ILE 57 HN ILE 57 2.518 -8.600 2.174 363 HA ILE 57 HA ILE 57 1.428 -10.396 4.108 364 HB ILE 57 HB ILE 57 1.564 -10.786 1.119 365 1HG1 ILE 57 HG12 ILE 57 -0.614 -9.459 2.746 366 2HG1 ILE 57 HG11 ILE 57 0.561 -8.597 1.758 367 1HG2 ILE 57 HG21 ILE 57 0.093 -12.491 1.345 368 2HG2 ILE 57 HG22 ILE 57 -0.701 -11.767 2.742 369 3HG2 ILE 57 HG23 ILE 57 0.837 -12.607 2.940 370 1HD1 ILE 57 HD11 ILE 57 -1.896 -9.341 0.926 371 2HD1 ILE 57 HD12 ILE 57 -0.925 -10.699 0.357 372 3HD1 ILE 57 HD13 ILE 57 -0.523 -9.056 -0.144 373 H MET 58 HN MET 58 3.820 -10.847 1.489 374 HA MET 58 HA MET 58 4.475 -13.489 2.086 375 1HB MET 58 HB2 MET 58 6.443 -13.180 0.746 376 2HB MET 58 HB1 MET 58 5.131 -12.268 0.014 377 1HG MET 58 HG2 MET 58 6.013 -10.220 1.048 378 2HG MET 58 HG1 MET 58 7.357 -11.152 1.703 379 1HE MET 58 HE1 MET 58 6.541 -10.340 -2.737 380 2HE MET 58 HE2 MET 58 5.363 -10.381 -1.425 381 3HE MET 58 HE3 MET 58 5.997 -11.887 -2.089 382 H ALA 59 HN ALA 59 5.821 -10.474 3.363 383 HA ALA 59 HA ALA 59 7.933 -11.632 4.824 384 1HB ALA 59 HB1 ALA 59 8.358 -9.442 4.898 385 2HB ALA 59 HB2 ALA 59 7.232 -9.378 6.254 386 3HB ALA 59 HB3 ALA 59 6.668 -9.022 4.621 387 H LYS 60 HN LYS 60 4.772 -10.452 6.009 388 HA LYS 60 HA LYS 60 5.047 -11.566 8.584 389 1HB LYS 60 HB2 LYS 60 2.865 -10.352 6.984 390 2HB LYS 60 HB1 LYS 60 2.380 -11.362 8.336 391 1HG LYS 60 HG2 LYS 60 2.559 -8.925 8.826 392 2HG LYS 60 HG1 LYS 60 3.491 -9.970 9.896 393 1HD LYS 60 HD2 LYS 60 5.065 -8.378 9.459 394 2HD LYS 60 HD1 LYS 60 5.389 -9.463 8.107 395 1HE LYS 60 HE2 LYS 60 3.442 -7.885 7.064 396 2HE LYS 60 HE1 LYS 60 4.261 -6.750 8.136 397 1HZ LYS 60 HZ1 LYS 60 5.441 -6.534 6.191 398 2HZ LYS 60 HZ2 LYS 60 5.319 -8.172 5.788 399 3HZ LYS 60 HZ3 LYS 60 6.378 -7.680 7.012 400 H GLN 61 HN GLN 61 4.091 -12.903 5.544 401 HA GLN 61 HA GLN 61 3.671 -15.045 4.901 402 1HB GLN 61 HB2 GLN 61 5.356 -15.575 6.740 403 2HB GLN 61 HB1 GLN 61 3.973 -15.906 7.774 404 1HG GLN 61 HG2 GLN 61 3.883 -17.964 6.984 405 2HG GLN 61 HG1 GLN 61 3.577 -17.329 5.368 406 1HE2 GLN 61 HE21 GLN 61 6.028 -16.070 4.924 407 2HE2 GLN 61 HE22 GLN 61 7.251 -17.281 4.775 408 H LEU 62 HN LEU 62 1.519 -13.753 4.838 409 HA LEU 62 HA LEU 62 -0.481 -14.882 6.647 410 1HB LEU 62 HB2 LEU 62 -0.900 -12.826 4.484 411 2HB LEU 62 HB1 LEU 62 -1.983 -13.214 5.806 412 HG LEU 62 HG LEU 62 0.689 -11.827 6.018 413 1HD1 LEU 62 HD11 LEU 62 -1.218 -10.486 5.162 414 2HD1 LEU 62 HD12 LEU 62 -0.578 -9.913 6.702 415 3HD1 LEU 62 HD13 LEU 62 -2.081 -10.835 6.660 416 1HD2 LEU 62 HD21 LEU 62 0.017 -13.459 7.901 417 2HD2 LEU 62 HD22 LEU 62 -1.211 -12.256 8.292 418 3HD2 LEU 62 HD23 LEU 62 0.495 -11.818 8.333 419 H TYR 63 HN TYR 63 0.860 -15.566 3.648 420 HA TYR 63 HA TYR 63 -1.527 -16.509 2.351 421 1HB TYR 63 HB2 TYR 63 0.020 -17.367 0.635 422 2HB TYR 63 HB1 TYR 63 0.337 -15.678 1.016 423 HD1 TYR 63 HD1 TYR 63 1.515 -19.135 1.703 424 HD2 TYR 63 HD2 TYR 63 2.465 -14.988 1.715 425 HE1 TYR 63 HE1 TYR 63 3.866 -19.681 2.171 426 HE2 TYR 63 HE2 TYR 63 4.820 -15.523 2.185 427 HH TYR 63 HH TYR 63 5.845 -18.650 3.109 428 H ASP 64 HN ASP 64 -1.928 -18.719 1.772 429 HA ASP 64 HA ASP 64 -1.226 -20.552 3.933 430 1HB ASP 64 HB2 ASP 64 -3.621 -20.150 3.013 431 2HB ASP 64 HB1 ASP 64 -3.117 -21.180 1.681 432 H GLU 65 HN GLU 65 -0.254 -22.553 3.617 433 HA GLU 65 HA GLU 65 1.691 -22.758 1.615 434 1HB GLU 65 HB2 GLU 65 0.521 -24.634 3.620 435 2HB GLU 65 HB1 GLU 65 1.483 -25.320 2.318 436 1HG GLU 65 HG2 GLU 65 3.412 -24.158 2.985 437 2HG GLU 65 HG1 GLU 65 2.495 -23.083 4.039 438 H LYS 66 HN LYS 66 -1.426 -24.435 1.946 439 HA LYS 66 HA LYS 66 -1.457 -25.946 -0.330 440 1HB LYS 66 HB2 LYS 66 -4.020 -25.236 -0.367 441 2HB LYS 66 HB1 LYS 66 -3.368 -26.322 0.845 442 1HG LYS 66 HG2 LYS 66 -3.502 -24.770 2.517 443 2HG LYS 66 HG1 LYS 66 -3.372 -23.412 1.400 444 1HD LYS 66 HD2 LYS 66 -5.755 -25.051 0.983 445 2HD LYS 66 HD1 LYS 66 -5.688 -24.290 2.573 446 1HE LYS 66 HE2 LYS 66 -5.447 -22.115 1.584 447 2HE LYS 66 HE1 LYS 66 -5.296 -22.816 -0.026 448 1HZ LYS 66 HZ1 LYS 66 -7.494 -22.054 0.148 449 2HZ LYS 66 HZ2 LYS 66 -7.703 -22.707 1.694 450 3HZ LYS 66 HZ3 LYS 66 -7.599 -23.731 0.352 451 H GLN 67 HN GLN 67 -3.328 -22.941 -0.328 452 HA GLN 67 HA GLN 67 -2.623 -22.567 -3.141 453 1HB GLN 67 HB2 GLN 67 -4.733 -21.266 -1.412 454 2HB GLN 67 HB1 GLN 67 -4.445 -20.856 -3.094 455 1HG GLN 67 HG2 GLN 67 -5.624 -23.332 -1.927 456 2HG GLN 67 HG1 GLN 67 -6.237 -22.298 -3.213 457 1HE2 GLN 67 HE21 GLN 67 -4.060 -24.876 -2.397 458 2HE2 GLN 67 HE22 GLN 67 -3.713 -25.371 -4.015 459 H GLN 68 HN GLN 68 -1.115 -21.140 -3.705 460 HA GLN 68 HA GLN 68 0.107 -19.448 -1.741 461 1HB GLN 68 HB2 GLN 68 0.594 -20.088 -4.613 462 2HB GLN 68 HB1 GLN 68 1.303 -18.618 -3.957 463 1HG GLN 68 HG2 GLN 68 2.988 -20.139 -3.631 464 2HG GLN 68 HG1 GLN 68 2.163 -20.184 -2.074 465 1HE2 GLN 68 HE21 GLN 68 2.187 -22.177 -1.336 466 2HE2 GLN 68 HE22 GLN 68 1.849 -23.606 -2.246 467 H HIS 69 HN HIS 69 -2.454 -19.089 -3.987 468 HA HIS 69 HA HIS 69 -2.237 -16.181 -4.011 469 1HB HIS 69 HB2 HIS 69 -3.907 -16.190 -5.711 470 2HB HIS 69 HB1 HIS 69 -2.792 -17.495 -6.093 471 HD1 HIS 69 HD1 HIS 69 -3.753 -19.804 -6.306 472 HD2 HIS 69 HD2 HIS 69 -6.430 -17.106 -4.626 473 HE1 HIS 69 HE1 HIS 69 -5.948 -21.025 -6.180 474 HE2 HIS 69 HE2 HIS 69 -7.533 -19.399 -5.087 475 H ILE 70 HN ILE 70 -3.140 -18.097 -1.705 476 HA ILE 70 HA ILE 70 -5.647 -16.677 -1.091 477 HB ILE 70 HB ILE 70 -4.669 -19.329 -0.027 478 1HG1 ILE 70 HG12 ILE 70 -5.514 -19.416 -2.336 479 2HG1 ILE 70 HG11 ILE 70 -6.581 -20.260 -1.221 480 1HG2 ILE 70 HG21 ILE 70 -6.661 -17.452 0.968 481 2HG2 ILE 70 HG22 ILE 70 -5.932 -18.854 1.753 482 3HG2 ILE 70 HG23 ILE 70 -7.317 -19.065 0.682 483 1HD1 ILE 70 HD11 ILE 70 -7.015 -17.722 -2.701 484 2HD1 ILE 70 HD12 ILE 70 -7.851 -17.988 -1.171 485 3HD1 ILE 70 HD13 ILE 70 -8.078 -19.116 -2.509 486 H VAL 71 HN VAL 71 -5.744 -15.419 0.647 487 HA VAL 71 HA VAL 71 -3.526 -15.516 2.581 488 HB VAL 71 HB VAL 71 -4.859 -12.970 1.664 489 1HG1 VAL 71 HG11 VAL 71 -2.207 -13.065 2.996 490 2HG1 VAL 71 HG12 VAL 71 -3.638 -13.346 3.988 491 3HG1 VAL 71 HG13 VAL 71 -3.474 -11.842 3.081 492 1HG2 VAL 71 HG21 VAL 71 -2.532 -14.454 0.581 493 2HG2 VAL 71 HG22 VAL 71 -2.372 -12.704 0.731 494 3HG2 VAL 71 HG23 VAL 71 -3.679 -13.389 -0.234 495 H HIS 72 HN HIS 72 -4.584 -16.491 4.259 496 HA HIS 72 HA HIS 72 -6.904 -15.030 5.322 497 1HB HIS 72 HB2 HIS 72 -7.998 -17.049 5.954 498 2HB HIS 72 HB1 HIS 72 -7.517 -17.245 4.273 499 HD1 HIS 72 HD1 HIS 72 -4.859 -18.408 4.262 500 HD2 HIS 72 HD2 HIS 72 -7.558 -19.346 7.278 501 HE1 HIS 72 HE1 HIS 72 -4.056 -20.583 5.231 502 HE2 HIS 72 HE2 HIS 72 -5.650 -21.084 7.114 503 H CYS 73 HN CYS 73 -5.915 -13.909 6.899 504 HA CYS 73 HA CYS 73 -4.643 -15.479 9.033 505 1HB CYS 73 HB2 CYS 73 -3.341 -13.591 7.392 506 2HB CYS 73 HB1 CYS 73 -3.579 -12.800 8.947 507 HG CYS 73 HG CYS 73 -1.457 -14.762 8.400 508 H SER 74 HN SER 74 -6.213 -15.434 10.547 509 HA SER 74 HA SER 74 -8.051 -13.361 10.925 510 1HB SER 74 HB2 SER 74 -8.076 -14.479 13.365 511 2HB SER 74 HB1 SER 74 -8.822 -15.250 11.965 512 HG SER 74 HG SER 74 -7.377 -16.771 12.058 513 H ASN 75 HN ASN 75 -5.015 -14.010 12.685 514 HA ASN 75 HA ASN 75 -5.366 -11.387 13.945 515 1HB ASN 75 HB2 ASN 75 -3.417 -12.048 15.342 516 2HB ASN 75 HB1 ASN 75 -4.758 -13.182 15.470 517 1HD2 ASN 75 HD21 ASN 75 -1.971 -13.633 16.046 518 2HD2 ASN 75 HD22 ASN 75 -1.450 -14.912 15.007 519 H ASP 76 HN ASP 76 -4.933 -10.039 12.265 520 HA ASP 76 HA ASP 76 -2.150 -9.565 11.737 521 1HB ASP 76 HB2 ASP 76 -2.870 -11.358 10.059 522 2HB ASP 76 HB1 ASP 76 -3.850 -10.102 9.308 523 HA PRO 77 HA PRO 77 -3.763 -5.435 11.768 524 1HB PRO 77 HB2 PRO 77 -1.490 -4.747 10.017 525 2HB PRO 77 HB1 PRO 77 -1.922 -4.115 11.603 526 1HG PRO 77 HG2 PRO 77 0.161 -5.797 11.192 527 2HG PRO 77 HG1 PRO 77 -0.736 -5.698 12.714 528 1HD PRO 77 HD2 PRO 77 -0.778 -7.792 10.633 529 2HD PRO 77 HD1 PRO 77 -1.154 -7.893 12.360 530 H LEU 78 HN LEU 78 -2.784 -7.081 8.830 531 HA LEU 78 HA LEU 78 -4.002 -5.258 7.016 532 1HB LEU 78 HB2 LEU 78 -2.211 -6.792 6.342 533 2HB LEU 78 HB1 LEU 78 -3.263 -8.161 6.647 534 HG LEU 78 HG LEU 78 -4.814 -6.989 4.885 535 1HD1 LEU 78 HD11 LEU 78 -3.279 -5.969 3.106 536 2HD1 LEU 78 HD12 LEU 78 -2.130 -5.735 4.424 537 3HD1 LEU 78 HD13 LEU 78 -3.717 -4.969 4.490 538 1HD2 LEU 78 HD21 LEU 78 -3.152 -9.129 4.840 539 2HD2 LEU 78 HD22 LEU 78 -2.487 -8.158 3.526 540 3HD2 LEU 78 HD23 LEU 78 -4.183 -8.639 3.496 541 H GLY 79 HN GLY 79 -4.982 -8.412 8.343 542 1HA GLY 79 HA2 GLY 79 -7.437 -8.631 7.023 543 2HA GLY 79 HA1 GLY 79 -7.052 -9.380 8.566 544 H GLU 80 HN GLU 80 -6.659 -7.113 10.134 545 HA GLU 80 HA GLU 80 -9.327 -6.452 10.795 546 1HB GLU 80 HB2 GLU 80 -8.451 -5.311 12.620 547 2HB GLU 80 HB1 GLU 80 -7.198 -6.497 12.287 548 1HG GLU 80 HG2 GLU 80 -5.778 -4.796 12.342 549 2HG GLU 80 HG1 GLU 80 -6.422 -4.351 10.764 550 H LEU 81 HN LEU 81 -6.987 -5.018 8.695 551 HA LEU 81 HA LEU 81 -8.174 -2.418 8.570 552 1HB LEU 81 HB2 LEU 81 -5.827 -2.757 8.022 553 2HB LEU 81 HB1 LEU 81 -6.263 -3.836 6.713 554 HG LEU 81 HG LEU 81 -7.483 -1.833 5.685 555 1HD1 LEU 81 HD11 LEU 81 -5.726 -0.360 7.641 556 2HD1 LEU 81 HD12 LEU 81 -7.487 -0.444 7.705 557 3HD1 LEU 81 HD13 LEU 81 -6.690 0.361 6.352 558 1HD2 LEU 81 HD21 LEU 81 -4.479 -1.817 5.952 559 2HD2 LEU 81 HD22 LEU 81 -5.397 -0.962 4.713 560 3HD2 LEU 81 HD23 LEU 81 -5.423 -2.724 4.770 561 H PHE 82 HN PHE 82 -7.958 -5.031 6.156 562 HA PHE 82 HA PHE 82 -9.878 -3.946 4.413 563 1HB PHE 82 HB2 PHE 82 -9.045 -6.837 4.742 564 2HB PHE 82 HB1 PHE 82 -9.905 -6.170 3.359 565 HD1 PHE 82 HD1 PHE 82 -8.312 -3.556 3.239 566 HD2 PHE 82 HD2 PHE 82 -7.146 -7.634 3.576 567 HE1 PHE 82 HE1 PHE 82 -6.166 -3.026 2.160 568 HE2 PHE 82 HE2 PHE 82 -4.996 -7.112 2.499 569 HZ PHE 82 HZ PHE 82 -4.504 -4.806 1.789 570 H GLY 83 HN GLY 83 -10.177 -5.868 7.293 571 1HA GLY 83 HA2 GLY 83 -12.123 -6.121 8.563 572 2HA GLY 83 HA1 GLY 83 -13.063 -5.542 7.196 573 H VAL 84 HN VAL 84 -10.703 -8.117 6.953 574 HA VAL 84 HA VAL 84 -12.750 -10.177 7.052 575 HB VAL 84 HB VAL 84 -12.124 -11.088 4.827 576 1HG1 VAL 84 HG11 VAL 84 -13.709 -9.866 3.707 577 2HG1 VAL 84 HG12 VAL 84 -13.117 -8.324 4.326 578 3HG1 VAL 84 HG13 VAL 84 -14.055 -9.392 5.370 579 1HG2 VAL 84 HG21 VAL 84 -10.927 -9.749 3.233 580 2HG2 VAL 84 HG22 VAL 84 -9.935 -9.914 4.682 581 3HG2 VAL 84 HG23 VAL 84 -10.808 -8.412 4.377 582 H GLN 85 HN GLN 85 -11.901 -12.303 7.191 583 HA GLN 85 HA GLN 85 -9.064 -12.367 7.967 584 1HB GLN 85 HB2 GLN 85 -11.119 -14.430 8.727 585 2HB GLN 85 HB1 GLN 85 -9.562 -14.114 9.478 586 1HG GLN 85 HG2 GLN 85 -11.736 -12.057 9.495 587 2HG GLN 85 HG1 GLN 85 -11.687 -13.353 10.689 588 1HE2 GLN 85 HE21 GLN 85 -9.567 -10.907 9.235 589 2HE2 GLN 85 HE22 GLN 85 -8.752 -10.494 10.702 590 H GLU 86 HN GLU 86 -10.179 -12.648 5.231 591 HA GLU 86 HA GLU 86 -8.511 -14.660 4.265 592 1HB GLU 86 HB2 GLU 86 -10.221 -16.305 3.480 593 2HB GLU 86 HB1 GLU 86 -10.000 -16.282 5.225 594 1HG GLU 86 HG2 GLU 86 -12.121 -15.737 5.584 595 2HG GLU 86 HG1 GLU 86 -12.082 -14.460 4.369 596 H PHE 87 HN PHE 87 -8.112 -14.196 2.189 597 HA PHE 87 HA PHE 87 -10.174 -13.342 0.387 598 1HB PHE 87 HB2 PHE 87 -9.324 -11.129 -0.096 599 2HB PHE 87 HB1 PHE 87 -9.697 -11.237 1.621 600 HD1 PHE 87 HD1 PHE 87 -6.983 -11.142 -0.861 601 HD2 PHE 87 HD2 PHE 87 -7.999 -11.016 3.270 602 HE1 PHE 87 HE1 PHE 87 -4.701 -10.394 -0.327 603 HE2 PHE 87 HE2 PHE 87 -5.719 -10.267 3.812 604 HZ PHE 87 HZ PHE 87 -4.066 -9.955 2.012 605 H SER 88 HN SER 88 -9.636 -13.726 -1.696 606 HA SER 88 HA SER 88 -7.035 -14.943 -2.179 607 1HB SER 88 HB2 SER 88 -7.998 -15.716 -4.284 608 2HB SER 88 HB1 SER 88 -9.095 -16.087 -2.954 609 HG SER 88 HG SER 88 -10.480 -15.112 -4.218 610 H VAL 89 HN VAL 89 -5.545 -14.208 -3.679 611 HA VAL 89 HA VAL 89 -5.754 -11.380 -4.308 612 HB VAL 89 HB VAL 89 -3.383 -11.723 -5.187 613 1HG1 VAL 89 HG11 VAL 89 -4.238 -12.011 -2.338 614 2HG1 VAL 89 HG12 VAL 89 -3.526 -10.624 -3.162 615 3HG1 VAL 89 HG13 VAL 89 -2.525 -12.018 -2.758 616 1HG2 VAL 89 HG21 VAL 89 -3.521 -14.282 -3.614 617 2HG2 VAL 89 HG22 VAL 89 -2.196 -13.678 -4.608 618 3HG2 VAL 89 HG23 VAL 89 -3.687 -14.233 -5.369 619 H LYS 90 HN LYS 90 -7.079 -13.826 -5.791 620 HA LYS 90 HA LYS 90 -6.055 -13.493 -8.469 621 1HB LYS 90 HB2 LYS 90 -7.519 -15.468 -7.130 622 2HB LYS 90 HB1 LYS 90 -8.633 -14.808 -8.319 623 1HG LYS 90 HG2 LYS 90 -6.458 -15.100 -9.859 624 2HG LYS 90 HG1 LYS 90 -6.179 -16.395 -8.693 625 1HD LYS 90 HD2 LYS 90 -8.696 -16.951 -9.176 626 2HD LYS 90 HD1 LYS 90 -8.394 -16.054 -10.666 627 1HE LYS 90 HE2 LYS 90 -6.339 -17.569 -10.924 628 2HE LYS 90 HE1 LYS 90 -7.097 -18.580 -9.695 629 1HZ LYS 90 HZ1 LYS 90 -7.539 -18.870 -12.291 630 2HZ LYS 90 HZ2 LYS 90 -8.785 -17.787 -11.926 631 3HZ LYS 90 HZ3 LYS 90 -8.687 -19.268 -11.114 632 H GLU 91 HN GLU 91 -8.751 -12.354 -6.549 633 HA GLU 91 HA GLU 91 -9.909 -10.980 -8.855 634 1HB GLU 91 HB2 GLU 91 -10.893 -11.233 -6.007 635 2HB GLU 91 HB1 GLU 91 -11.758 -10.422 -7.305 636 1HG GLU 91 HG2 GLU 91 -11.101 -13.022 -8.208 637 2HG GLU 91 HG1 GLU 91 -11.778 -13.169 -6.587 638 H HIS 92 HN HIS 92 -8.026 -9.564 -9.016 639 HA HIS 92 HA HIS 92 -7.130 -7.817 -7.061 640 1HB HIS 92 HB2 HIS 92 -7.280 -7.505 -10.060 641 2HB HIS 92 HB1 HIS 92 -6.470 -6.341 -9.017 642 HD1 HIS 92 HD1 HIS 92 -4.801 -7.747 -11.097 643 HD2 HIS 92 HD2 HIS 92 -5.361 -9.248 -7.262 644 HE1 HIS 92 HE1 HIS 92 -2.853 -9.284 -10.685 645 HE2 HIS 92 HE2 HIS 92 -3.254 -10.239 -8.388 646 H ARG 93 HN ARG 93 -10.031 -7.692 -8.979 647 HA ARG 93 HA ARG 93 -10.669 -4.984 -8.769 648 1HB ARG 93 HB2 ARG 93 -12.246 -7.488 -9.152 649 2HB ARG 93 HB1 ARG 93 -13.114 -6.003 -8.786 650 1HG ARG 93 HG2 ARG 93 -12.432 -4.972 -10.758 651 2HG ARG 93 HG1 ARG 93 -11.105 -6.110 -11.003 652 1HD ARG 93 HD2 ARG 93 -13.221 -7.794 -11.015 653 2HD ARG 93 HD1 ARG 93 -13.959 -6.343 -11.691 654 HE ARG 93 HE ARG 93 -12.748 -6.661 -13.604 655 1HH1 ARG 93 HH11 ARG 93 -11.362 -8.609 -11.062 656 2HH1 ARG 93 HH12 ARG 93 -10.271 -9.437 -12.121 657 1HH2 ARG 93 HH21 ARG 93 -11.313 -7.750 -14.998 658 2HH2 ARG 93 HH22 ARG 93 -10.242 -8.950 -14.355 659 H ARG 94 HN ARG 94 -11.417 -7.674 -6.579 660 HA ARG 94 HA ARG 94 -12.930 -6.160 -4.739 661 1HB ARG 94 HB2 ARG 94 -12.260 -8.832 -5.052 662 2HB ARG 94 HB1 ARG 94 -11.473 -8.387 -3.544 663 1HG ARG 94 HG2 ARG 94 -13.498 -7.825 -2.519 664 2HG ARG 94 HG1 ARG 94 -14.355 -7.745 -4.060 665 1HD ARG 94 HD2 ARG 94 -13.411 -10.322 -4.027 666 2HD ARG 94 HD1 ARG 94 -13.800 -10.034 -2.332 667 HE ARG 94 HE ARG 94 -15.886 -9.220 -4.122 668 1HH1 ARG 94 HH11 ARG 94 -14.520 -11.927 -2.396 669 2HH1 ARG 94 HH12 ARG 94 -16.004 -12.818 -2.367 670 1HH2 ARG 94 HH21 ARG 94 -17.840 -10.390 -4.084 671 2HH2 ARG 94 HH22 ARG 94 -17.889 -11.946 -3.325 672 H ILE 95 HN ILE 95 -9.531 -7.219 -4.647 673 HA ILE 95 HA ILE 95 -8.869 -5.924 -2.240 674 HB ILE 95 HB ILE 95 -7.002 -6.541 -4.527 675 1HG1 ILE 95 HG12 ILE 95 -7.941 -8.269 -2.228 676 2HG1 ILE 95 HG11 ILE 95 -8.246 -8.540 -3.941 677 1HG2 ILE 95 HG21 ILE 95 -5.294 -6.013 -3.180 678 2HG2 ILE 95 HG22 ILE 95 -6.035 -6.792 -1.782 679 3HG2 ILE 95 HG23 ILE 95 -6.497 -5.148 -2.223 680 1HD1 ILE 95 HD11 ILE 95 -5.959 -9.037 -4.344 681 2HD1 ILE 95 HD12 ILE 95 -6.479 -9.978 -2.944 682 3HD1 ILE 95 HD13 ILE 95 -5.505 -8.525 -2.719 683 H TYR 96 HN TYR 96 -8.300 -4.946 -5.613 684 HA TYR 96 HA TYR 96 -7.036 -2.540 -5.227 685 1HB TYR 96 HB2 TYR 96 -7.486 -3.664 -7.419 686 2HB TYR 96 HB1 TYR 96 -9.140 -3.070 -7.332 687 HD1 TYR 96 HD1 TYR 96 -9.561 -0.606 -7.412 688 HD2 TYR 96 HD2 TYR 96 -5.714 -2.269 -8.147 689 HE1 TYR 96 HE1 TYR 96 -8.871 1.489 -8.498 690 HE2 TYR 96 HE2 TYR 96 -5.012 -0.178 -9.234 691 HH TYR 96 HH TYR 96 -5.566 1.942 -9.702 692 H ALA 97 HN ALA 97 -10.414 -3.299 -4.786 693 HA ALA 97 HA ALA 97 -11.302 -0.578 -4.664 694 1HB ALA 97 HB1 ALA 97 -13.395 -1.422 -4.507 695 2HB ALA 97 HB2 ALA 97 -12.918 -2.693 -3.380 696 3HB ALA 97 HB3 ALA 97 -12.593 -2.875 -5.104 697 H MET 98 HN MET 98 -10.988 -3.121 -2.169 698 HA MET 98 HA MET 98 -11.555 -1.455 0.004 699 1HB MET 98 HB2 MET 98 -10.872 -3.226 1.394 700 2HB MET 98 HB1 MET 98 -11.494 -3.998 -0.057 701 1HG MET 98 HG2 MET 98 -8.989 -3.951 -0.792 702 2HG MET 98 HG1 MET 98 -8.699 -3.804 0.938 703 1HE MET 98 HE1 MET 98 -7.779 -6.863 -0.823 704 2HE MET 98 HE2 MET 98 -7.737 -7.305 0.884 705 3HE MET 98 HE3 MET 98 -7.244 -5.688 0.379 706 H ILE 99 HN ILE 99 -8.471 -2.235 -1.544 707 HA ILE 99 HA ILE 99 -6.829 -0.953 0.368 708 HB ILE 99 HB ILE 99 -5.084 -0.962 -1.366 709 1HG1 ILE 99 HG12 ILE 99 -6.151 -2.438 -3.452 710 2HG1 ILE 99 HG11 ILE 99 -7.413 -1.260 -3.109 711 1HG2 ILE 99 HG21 ILE 99 -5.040 -2.959 -0.261 712 2HG2 ILE 99 HG22 ILE 99 -5.371 -3.531 -1.896 713 3HG2 ILE 99 HG23 ILE 99 -6.686 -3.383 -0.731 714 1HD1 ILE 99 HD11 ILE 99 -6.281 0.171 -4.360 715 2HD1 ILE 99 HD12 ILE 99 -4.897 -0.917 -4.457 716 3HD1 ILE 99 HD13 ILE 99 -5.047 0.201 -3.101 717 H SER 100 HN SER 100 -8.579 0.201 -2.442 718 HA SER 100 HA SER 100 -7.292 2.741 -2.580 719 1HB SER 100 HB2 SER 100 -8.542 1.686 -4.476 720 2HB SER 100 HB1 SER 100 -10.042 1.993 -3.601 721 HG SER 100 HG SER 100 -9.460 3.627 -5.169 722 H ARG 101 HN ARG 101 -10.097 1.483 -0.888 723 HA ARG 101 HA ARG 101 -11.000 4.062 0.001 724 1HB ARG 101 HB2 ARG 101 -11.749 1.371 1.141 725 2HB ARG 101 HB1 ARG 101 -12.659 2.871 1.254 726 1HG ARG 101 HG2 ARG 101 -13.481 2.697 -0.861 727 2HG ARG 101 HG1 ARG 101 -12.076 1.809 -1.453 728 1HD ARG 101 HD2 ARG 101 -13.651 0.142 -1.432 729 2HD ARG 101 HD1 ARG 101 -12.953 -0.048 0.175 730 HE ARG 101 HE ARG 101 -15.230 1.708 0.091 731 1HH1 ARG 101 HH11 ARG 101 -14.171 -1.602 0.410 732 2HH1 ARG 101 HH12 ARG 101 -15.600 -2.110 1.245 733 1HH2 ARG 101 HH21 ARG 101 -17.111 1.041 1.189 734 2HH2 ARG 101 HH22 ARG 101 -17.270 -0.611 1.686 735 H ASN 102 HN ASN 102 -8.423 2.136 0.891 736 HA ASN 102 HA ASN 102 -8.520 2.796 3.723 737 1HB ASN 102 HB2 ASN 102 -6.691 1.123 2.023 738 2HB ASN 102 HB1 ASN 102 -6.247 1.570 3.667 739 1HD2 ASN 102 HD21 ASN 102 -6.496 -1.046 3.009 740 2HD2 ASN 102 HD22 ASN 102 -7.898 -1.719 3.759 741 H LEU 103 HN LEU 103 -8.082 4.807 1.443 742 HA LEU 103 HA LEU 103 -5.491 5.879 2.326 743 1HB LEU 103 HB2 LEU 103 -7.015 6.976 -0.001 744 2HB LEU 103 HB1 LEU 103 -5.286 6.979 0.292 745 HG LEU 103 HG LEU 103 -6.739 4.408 -0.239 746 1HD1 LEU 103 HD11 LEU 103 -6.915 6.429 -2.019 747 2HD1 LEU 103 HD12 LEU 103 -6.857 4.723 -2.462 748 3HD1 LEU 103 HD13 LEU 103 -5.387 5.697 -2.509 749 1HD2 LEU 103 HD21 LEU 103 -4.353 4.091 -1.326 750 2HD2 LEU 103 HD22 LEU 103 -4.619 3.859 0.402 751 3HD2 LEU 103 HD23 LEU 103 -3.929 5.371 -0.189 752 H VAL 104 HN VAL 104 -5.635 7.355 3.887 753 HA VAL 104 HA VAL 104 -8.042 8.688 4.554 754 HB VAL 104 HB VAL 104 -6.372 10.209 5.909 755 1HG1 VAL 104 HG11 VAL 104 -7.976 8.447 6.728 756 2HG1 VAL 104 HG12 VAL 104 -6.549 8.710 7.730 757 3HG1 VAL 104 HG13 VAL 104 -6.630 7.309 6.661 758 1HG2 VAL 104 HG21 VAL 104 -4.212 9.607 6.061 759 2HG2 VAL 104 HG22 VAL 104 -4.491 8.824 4.510 760 3HG2 VAL 104 HG23 VAL 104 -4.582 7.885 5.996 761 H SER 105 HN SER 105 -4.975 10.205 3.498 762 HA SER 105 HA SER 105 -6.584 12.341 2.278 763 1HB SER 105 HB2 SER 105 -4.849 13.851 2.701 764 2HB SER 105 HB1 SER 105 -4.809 12.810 4.124 765 HG SER 105 HG SER 105 -2.802 13.327 2.634 766 H ALA 106 HN ALA 106 -6.245 12.958 0.167 767 HA ALA 106 HA ALA 106 -4.554 11.144 -1.426 768 1HB ALA 106 HB1 ALA 106 -6.740 12.679 -2.719 769 2HB ALA 106 HB2 ALA 106 -7.188 11.329 -1.676 770 3HB ALA 106 HB3 ALA 106 -6.133 11.059 -3.064 771 H ASN 107 HN ASN 107 -2.854 12.012 -2.411 772 HA ASN 107 HA ASN 107 -2.694 14.931 -2.627 773 1HB ASN 107 HB2 ASN 107 -0.865 13.052 -1.716 774 2HB ASN 107 HB1 ASN 107 -0.272 13.462 -3.322 775 1HD2 ASN 107 HD21 ASN 107 -0.156 14.271 -0.137 776 2HD2 ASN 107 HD22 ASN 107 0.401 15.901 -0.274 777 H VAL 108 HN VAL 108 -2.428 15.970 -4.545 778 HA VAL 108 HA VAL 108 -2.320 14.305 -6.970 779 HB VAL 108 HB VAL 108 -4.602 15.401 -6.386 780 1HG1 VAL 108 HG11 VAL 108 -3.659 17.641 -5.924 781 2HG1 VAL 108 HG12 VAL 108 -4.912 17.662 -7.165 782 3HG1 VAL 108 HG13 VAL 108 -3.212 17.771 -7.626 783 1HG2 VAL 108 HG21 VAL 108 -5.164 15.118 -8.554 784 2HG2 VAL 108 HG22 VAL 108 -3.524 14.479 -8.667 785 3HG2 VAL 108 HG23 VAL 108 -3.856 16.145 -9.141 786 H LYS 109 HN LYS 109 -1.506 15.420 -8.885 787 HA LYS 109 HA LYS 109 0.861 16.900 -8.284 788 1HB LYS 109 HB2 LYS 109 -0.435 15.867 -10.771 789 2HB LYS 109 HB1 LYS 109 0.826 17.083 -10.917 790 1HG LYS 109 HG2 LYS 109 1.890 15.223 -9.165 791 2HG LYS 109 HG1 LYS 109 1.034 14.251 -10.363 792 1HD LYS 109 HD2 LYS 109 2.308 16.112 -11.919 793 2HD LYS 109 HD1 LYS 109 3.476 15.841 -10.625 794 1HE LYS 109 HE2 LYS 109 4.133 14.059 -11.798 795 2HE LYS 109 HE1 LYS 109 2.642 13.295 -11.248 796 1HZ LYS 109 HZ1 LYS 109 2.338 13.045 -13.453 797 2HZ LYS 109 HZ2 LYS 109 3.328 14.352 -13.869 798 3HZ LYS 109 HZ3 LYS 109 1.740 14.625 -13.354 799 H GLU 110 HN GLU 110 0.603 18.939 -7.577 800 HA GLU 110 HA GLU 110 -0.569 20.866 -9.408 801 1HB GLU 110 HB2 GLU 110 -1.802 20.082 -6.859 802 2HB GLU 110 HB1 GLU 110 -1.582 21.817 -7.043 803 1HG GLU 110 HG2 GLU 110 -2.701 20.507 -9.403 804 2HG GLU 110 HG1 GLU 110 -3.709 20.384 -7.962 805 H SER 111 HN SER 111 -0.187 23.148 -8.587 806 HA SER 111 HA SER 111 2.574 23.381 -7.858 807 1HB SER 111 HB2 SER 111 2.087 25.858 -7.981 808 2HB SER 111 HB1 SER 111 1.724 24.956 -9.452 809 HG SER 111 HG SER 111 -0.209 25.731 -9.267 810 H SER 112 HN SER 112 3.093 22.926 -5.801 811 HA SER 112 HA SER 112 1.606 24.334 -3.682 812 1HB SER 112 HB2 SER 112 2.468 21.499 -3.880 813 2HB SER 112 HB1 SER 112 2.648 22.271 -2.305 814 HG SER 112 HG SER 112 0.240 22.385 -3.784 815 H GLU 113 HN GLU 113 2.918 26.037 -3.298 816 HA GLU 113 HA GLU 113 5.790 25.738 -3.214 817 1HB GLU 113 HB2 GLU 113 5.711 28.174 -2.548 818 2HB GLU 113 HB1 GLU 113 5.008 27.794 -4.114 819 1HG GLU 113 HG2 GLU 113 2.894 28.286 -3.444 820 2HG GLU 113 HG1 GLU 113 3.197 27.828 -1.769 821 H ASP 114 HN ASP 114 7.099 25.825 -1.423 822 HA ASP 114 HA ASP 114 5.795 25.197 1.107 823 1HB ASP 114 HB2 ASP 114 7.930 24.058 -0.067 824 2HB ASP 114 HB1 ASP 114 8.757 25.264 0.914 825 H ILE 115 HN ILE 115 6.248 26.297 3.048 826 HA ILE 115 HA ILE 115 7.209 29.039 2.685 827 HB ILE 115 HB ILE 115 5.404 28.060 4.895 828 1HG1 ILE 115 HG12 ILE 115 4.574 29.554 2.401 829 2HG1 ILE 115 HG11 ILE 115 4.377 27.817 2.610 830 1HG2 ILE 115 HG21 ILE 115 6.358 30.750 3.979 831 2HG2 ILE 115 HG22 ILE 115 6.431 30.036 5.590 832 3HG2 ILE 115 HG23 ILE 115 4.885 30.572 4.933 833 1HD1 ILE 115 HD11 ILE 115 2.412 29.456 3.108 834 2HD1 ILE 115 HD12 ILE 115 3.239 29.657 4.653 835 3HD1 ILE 115 HD13 ILE 115 2.696 28.058 4.144 836 H PHE 116 HN PHE 116 9.266 28.958 3.221 837 HA PHE 116 HA PHE 116 10.084 27.586 5.681 838 1HB PHE 116 HB2 PHE 116 11.237 27.692 3.129 839 2HB PHE 116 HB1 PHE 116 12.279 28.682 4.145 840 HD1 PHE 116 HD1 PHE 116 11.643 25.439 3.015 841 HD2 PHE 116 HD2 PHE 116 12.882 27.588 6.473 842 HE1 PHE 116 HE1 PHE 116 12.705 23.402 3.897 843 HE2 PHE 116 HE2 PHE 116 13.946 25.555 7.360 844 HZ PHE 116 HZ PHE 116 13.859 23.458 6.071 845 H GLY 117 HN GLY 117 8.796 30.354 5.313 846 1HA GLY 117 HA2 GLY 117 8.960 32.415 6.306 847 2HA GLY 117 HA1 GLY 117 10.029 31.633 7.461 848 H ASN 118 HN ASN 118 10.834 31.702 4.078 849 HA ASN 118 HA ASN 118 12.932 33.685 4.669 850 1HB ASN 118 HB2 ASN 118 13.099 31.034 3.562 851 2HB ASN 118 HB1 ASN 118 13.676 32.204 2.380 852 1HD2 ASN 118 HD21 ASN 118 13.860 32.113 5.917 853 2HD2 ASN 118 HD22 ASN 118 15.583 32.217 6.001 854 H VAL 119 HN VAL 119 12.697 35.552 3.653 855 HA VAL 119 HA VAL 119 11.551 35.572 0.949 856 HB VAL 119 HB VAL 119 10.394 37.739 1.557 857 1HG1 VAL 119 HG11 VAL 119 8.426 36.653 2.159 858 2HG1 VAL 119 HG12 VAL 119 9.273 35.453 3.135 859 3HG1 VAL 119 HG13 VAL 119 9.366 35.383 1.375 860 1HG2 VAL 119 HG21 VAL 119 11.623 38.160 3.641 861 2HG2 VAL 119 HG22 VAL 119 10.860 36.746 4.367 862 3HG2 VAL 119 HG23 VAL 119 9.879 38.135 3.900 863 H30 IMY 120 1H30 IMY 120 -0.326 -16.979 -7.732 864 1H30 IMY 120 2H30 IMY 120 -1.952 -17.214 -6.978 865 2H30 IMY 120 3H30 IMY 120 -0.688 -18.436 -6.796 866 H26 IMY 120 H26 IMY 120 -1.189 -14.869 -7.515 867 H25 IMY 120 H25 IMY 120 -0.652 -12.510 -7.367 868 H31 IMY 120 H31 IMY 120 2.454 -14.652 -2.385 869 1H32 IMY 120 1H32 IMY 120 1.640 -12.058 -0.921 870 2H32 IMY 120 2H32 IMY 120 2.456 -13.451 -0.196 871 3H32 IMY 120 3H32 IMY 120 3.297 -12.416 -1.367 872 1H33 IMY 120 1H33 IMY 120 0.052 -14.935 -2.685 873 2H33 IMY 120 2H33 IMY 120 0.434 -14.830 -0.958 874 3H33 IMY 120 3H33 IMY 120 -0.289 -13.447 -1.818 875 H28 IMY 120 H28 IMY 120 0.977 -15.654 -3.914 876 H4 IMY 120 H4 IMY 120 1.112 -8.924 -6.879 877 H3 IMY 120 H3 IMY 120 1.856 -8.385 -4.726 878 H18 IMY 120 H18 IMY 120 -0.561 -10.682 -3.009 879 H17 IMY 120 H17 IMY 120 -2.167 -9.955 -1.326 880 H15 IMY 120 H15 IMY 120 -1.222 -5.872 -2.063 881 H14 IMY 120 H14 IMY 120 0.399 -6.532 -3.799 882 H20 IMY 120 H20 IMY 120 0.526 -6.431 -6.918 883 H21 IMY 120 H21 IMY 120 -1.247 -4.856 -7.501 884 H23 IMY 120 H23 IMY 120 -4.217 -7.857 -6.691 885 H24 IMY 120 H24 IMY 120 -2.467 -9.493 -6.248 Start of MODEL 2 1 1H ASN 13 HT1 ASN 13 21.290 23.570 8.052 2 2H ASN 13 HT2 ASN 13 22.521 22.489 8.563 3 3H ASN 13 HT3 ASN 13 21.347 23.048 9.684 4 HA ASN 13 HA ASN 13 20.641 21.523 7.281 5 1HB ASN 13 HB2 ASN 13 20.645 19.524 8.719 6 2HB ASN 13 HB1 ASN 13 22.256 20.225 8.595 7 1HD2 ASN 13 HD21 ASN 13 23.142 21.282 10.378 8 2HD2 ASN 13 HD22 ASN 13 22.523 21.052 11.974 9 H HIS 14 HN HIS 14 19.331 23.790 8.383 10 HA HIS 14 HA HIS 14 17.295 23.041 10.213 11 1HB HIS 14 HB2 HIS 14 17.736 25.376 8.385 12 2HB HIS 14 HB1 HIS 14 16.178 25.173 9.181 13 HD1 HIS 14 HD1 HIS 14 19.807 25.025 10.354 14 HD2 HIS 14 HD2 HIS 14 16.130 26.620 11.450 15 HE1 HIS 14 HE1 HIS 14 20.228 26.279 12.493 16 HE2 HIS 14 HE2 HIS 14 18.007 27.305 13.092 17 H ILE 15 HN ILE 15 15.109 22.603 9.850 18 HA ILE 15 HA ILE 15 14.202 22.175 7.117 19 HB ILE 15 HB ILE 15 13.349 19.877 7.729 20 1HG1 ILE 15 HG12 ILE 15 15.373 20.200 9.957 21 2HG1 ILE 15 HG11 ILE 15 13.631 20.035 10.156 22 1HG2 ILE 15 HG21 ILE 15 15.593 18.802 7.346 23 2HG2 ILE 15 HG22 ILE 15 16.297 20.414 7.468 24 3HG2 ILE 15 HG23 ILE 15 15.140 20.051 6.187 25 1HD1 ILE 15 HD11 ILE 15 15.015 17.885 8.676 26 2HD1 ILE 15 HD12 ILE 15 13.668 17.803 9.811 27 3HD1 ILE 15 HD13 ILE 15 15.315 17.997 10.410 28 H SER 16 HN SER 16 13.449 21.942 10.574 29 HA SER 16 HA SER 16 11.598 22.618 11.767 30 1HB SER 16 HB2 SER 16 11.713 24.461 9.793 31 2HB SER 16 HB1 SER 16 10.155 23.722 9.422 32 HG SER 16 HG SER 16 10.947 25.204 11.648 33 H THR 17 HN THR 17 10.304 21.889 8.520 34 HA THR 17 HA THR 17 8.790 19.670 9.719 35 HB THR 17 HB THR 17 7.591 21.259 7.488 36 HG1 THR 17 HG1 THR 17 8.124 22.816 9.044 37 1HG2 THR 17 HG21 THR 17 5.667 20.676 9.379 38 2HG2 THR 17 HG22 THR 17 6.703 19.248 9.363 39 3HG2 THR 17 HG23 THR 17 5.957 19.814 7.868 40 H SER 18 HN SER 18 7.879 18.200 7.955 41 HA SER 18 HA SER 18 9.994 17.137 6.463 42 1HB SER 18 HB2 SER 18 8.282 15.699 5.410 43 2HB SER 18 HB1 SER 18 8.077 15.785 7.159 44 HG SER 18 HG SER 18 6.215 16.734 6.890 45 H ASP 19 HN ASP 19 10.885 17.776 4.623 46 HA ASP 19 HA ASP 19 9.447 19.694 2.942 47 1HB ASP 19 HB2 ASP 19 12.309 19.085 3.457 48 2HB ASP 19 HB1 ASP 19 11.893 19.637 1.837 49 H GLN 20 HN GLN 20 8.869 16.799 2.955 50 HA GLN 20 HA GLN 20 9.601 16.155 0.178 51 1HB GLN 20 HB2 GLN 20 10.496 14.427 1.470 52 2HB GLN 20 HB1 GLN 20 9.149 14.439 2.598 53 1HG GLN 20 HG2 GLN 20 7.713 13.443 0.902 54 2HG GLN 20 HG1 GLN 20 9.057 13.437 -0.239 55 1HE2 GLN 20 HE21 GLN 20 10.540 11.837 -0.150 56 2HE2 GLN 20 HE22 GLN 20 10.481 10.517 0.962 57 H GLU 21 HN GLU 21 8.013 16.118 -1.277 58 HA GLU 21 HA GLU 21 5.240 16.178 -0.301 59 1HB GLU 21 HB2 GLU 21 6.651 17.754 -2.219 60 2HB GLU 21 HB1 GLU 21 5.382 16.874 -3.060 61 1HG GLU 21 HG2 GLU 21 4.542 18.119 -0.546 62 2HG GLU 21 HG1 GLU 21 5.056 19.249 -1.797 63 H LYS 22 HN LYS 22 3.922 15.582 -2.658 64 HA LYS 22 HA LYS 22 3.238 13.883 -4.024 65 1HB LYS 22 HB2 LYS 22 5.810 12.442 -3.418 66 2HB LYS 22 HB1 LYS 22 4.766 12.242 -4.817 67 1HG LYS 22 HG2 LYS 22 6.047 14.886 -4.305 68 2HG LYS 22 HG1 LYS 22 6.988 13.577 -5.021 69 1HD LYS 22 HD2 LYS 22 4.333 14.030 -6.213 70 2HD LYS 22 HD1 LYS 22 5.501 15.333 -6.443 71 1HE LYS 22 HE2 LYS 22 6.945 14.004 -7.656 72 2HE LYS 22 HE1 LYS 22 6.327 12.510 -6.952 73 1HZ LYS 22 HZ1 LYS 22 4.167 13.417 -8.234 74 2HZ LYS 22 HZ2 LYS 22 5.282 12.343 -8.914 75 3HZ LYS 22 HZ3 LYS 22 5.387 13.997 -9.252 76 H LEU 23 HN LEU 23 3.585 13.772 -0.830 77 HA LEU 23 HA LEU 23 3.290 11.034 -0.190 78 1HB LEU 23 HB2 LEU 23 2.063 13.118 1.548 79 2HB LEU 23 HB1 LEU 23 2.972 11.689 1.994 80 HG LEU 23 HG LEU 23 4.770 13.404 0.630 81 1HD1 LEU 23 HD11 LEU 23 2.951 14.811 2.555 82 2HD1 LEU 23 HD12 LEU 23 3.500 15.334 0.962 83 3HD1 LEU 23 HD13 LEU 23 4.622 15.327 2.322 84 1HD2 LEU 23 HD21 LEU 23 5.866 12.256 2.217 85 2HD2 LEU 23 HD22 LEU 23 4.445 12.138 3.254 86 3HD2 LEU 23 HD23 LEU 23 5.426 13.604 3.264 87 H VAL 24 HN VAL 24 1.380 9.998 0.677 88 HA VAL 24 HA VAL 24 -1.112 11.003 -0.530 89 HB VAL 24 HB VAL 24 -1.830 8.653 -0.809 90 1HG1 VAL 24 HG11 VAL 24 0.468 9.848 -2.231 91 2HG1 VAL 24 HG12 VAL 24 -1.113 9.354 -2.837 92 3HG1 VAL 24 HG13 VAL 24 0.139 8.145 -2.553 93 1HG2 VAL 24 HG21 VAL 24 -0.387 6.818 -0.482 94 2HG2 VAL 24 HG22 VAL 24 -0.240 7.797 0.977 95 3HG2 VAL 24 HG23 VAL 24 1.017 7.860 -0.258 96 H GLN 25 HN GLN 25 -3.098 10.069 0.567 97 HA GLN 25 HA GLN 25 -2.604 9.911 3.468 98 1HB GLN 25 HB2 GLN 25 -3.715 11.998 2.680 99 2HB GLN 25 HB1 GLN 25 -5.051 11.020 2.092 100 1HG GLN 25 HG2 GLN 25 -5.910 11.585 4.098 101 2HG GLN 25 HG1 GLN 25 -5.011 10.154 4.597 102 1HE2 GLN 25 HE21 GLN 25 -4.727 13.662 4.276 103 2HE2 GLN 25 HE22 GLN 25 -3.684 13.881 5.635 104 HA PRO 26 HA PRO 26 -4.400 5.797 2.614 105 1HB PRO 26 HB2 PRO 26 -3.543 5.406 5.420 106 2HB PRO 26 HB1 PRO 26 -3.185 4.431 3.993 107 1HG PRO 26 HG2 PRO 26 -1.312 5.970 5.109 108 2HG PRO 26 HG1 PRO 26 -1.419 5.793 3.347 109 1HD PRO 26 HD2 PRO 26 -2.348 8.052 5.085 110 2HD PRO 26 HD1 PRO 26 -1.523 8.108 3.512 111 H THR 27 HN THR 27 -6.477 5.253 2.959 112 HA THR 27 HA THR 27 -8.269 6.795 4.396 113 HB THR 27 HB THR 27 -9.672 4.578 4.358 114 HG1 THR 27 HG1 THR 27 -8.879 3.039 2.989 115 1HG2 THR 27 HG21 THR 27 -8.888 6.350 2.150 116 2HG2 THR 27 HG22 THR 27 -10.488 5.910 2.750 117 3HG2 THR 27 HG23 THR 27 -9.612 4.811 1.683 118 HA PRO 28 HA PRO 28 -8.135 5.941 8.701 119 1HB PRO 28 HB2 PRO 28 -10.670 4.732 9.062 120 2HB PRO 28 HB1 PRO 28 -10.261 6.433 9.282 121 1HG PRO 28 HG2 PRO 28 -11.526 5.075 6.968 122 2HG PRO 28 HG1 PRO 28 -11.730 6.734 7.554 123 1HD PRO 28 HD2 PRO 28 -10.319 6.186 5.337 124 2HD PRO 28 HD1 PRO 28 -9.845 7.494 6.443 125 H LEU 29 HN LEU 29 -9.196 3.369 6.567 126 HA LEU 29 HA LEU 29 -8.784 1.256 8.451 127 1HB LEU 29 HB2 LEU 29 -10.331 0.995 6.589 128 2HB LEU 29 HB1 LEU 29 -9.023 1.215 5.442 129 HG LEU 29 HG LEU 29 -8.052 -0.889 6.004 130 1HD1 LEU 29 HD11 LEU 29 -8.803 -2.304 7.780 131 2HD1 LEU 29 HD12 LEU 29 -10.132 -1.207 8.160 132 3HD1 LEU 29 HD13 LEU 29 -8.466 -0.709 8.454 133 1HD2 LEU 29 HD21 LEU 29 -9.948 -0.986 4.479 134 2HD2 LEU 29 HD22 LEU 29 -11.049 -1.178 5.843 135 3HD2 LEU 29 HD23 LEU 29 -9.870 -2.437 5.477 136 H LEU 30 HN LEU 30 -7.045 2.078 5.439 137 HA LEU 30 HA LEU 30 -4.844 0.435 5.841 138 1HB LEU 30 HB2 LEU 30 -5.427 1.691 3.747 139 2HB LEU 30 HB1 LEU 30 -4.793 3.140 4.505 140 HG LEU 30 HG LEU 30 -2.570 2.180 4.595 141 1HD1 LEU 30 HD11 LEU 30 -2.441 -0.063 3.148 142 2HD1 LEU 30 HD12 LEU 30 -4.028 -0.288 3.882 143 3HD1 LEU 30 HD13 LEU 30 -2.609 -0.060 4.903 144 1HD2 LEU 30 HD21 LEU 30 -2.047 2.398 2.354 145 2HD2 LEU 30 HD22 LEU 30 -3.601 3.225 2.453 146 3HD2 LEU 30 HD23 LEU 30 -3.516 1.580 1.824 147 H LEU 31 HN LEU 31 -5.559 3.621 7.084 148 HA LEU 31 HA LEU 31 -3.092 4.435 8.028 149 1HB LEU 31 HB2 LEU 31 -5.889 5.036 8.597 150 2HB LEU 31 HB1 LEU 31 -4.857 5.250 9.998 151 HG LEU 31 HG LEU 31 -4.477 6.583 7.318 152 1HD1 LEU 31 HD11 LEU 31 -4.983 8.145 9.764 153 2HD1 LEU 31 HD12 LEU 31 -6.350 7.225 9.135 154 3HD1 LEU 31 HD13 LEU 31 -5.537 8.407 8.110 155 1HD2 LEU 31 HD21 LEU 31 -3.035 7.567 9.675 156 2HD2 LEU 31 HD22 LEU 31 -2.490 7.366 8.010 157 3HD2 LEU 31 HD23 LEU 31 -2.519 5.981 9.102 158 H SER 32 HN SER 32 -5.594 2.797 9.985 159 HA SER 32 HA SER 32 -4.155 2.355 12.276 160 1HB SER 32 HB2 SER 32 -6.629 1.633 11.438 161 2HB SER 32 HB1 SER 32 -5.826 0.063 11.417 162 HG SER 32 HG SER 32 -6.819 1.266 13.494 163 H LEU 33 HN LEU 33 -4.105 0.402 9.311 164 HA LEU 33 HA LEU 33 -2.518 -1.700 10.300 165 1HB LEU 33 HB2 LEU 33 -2.080 -0.826 7.498 166 2HB LEU 33 HB1 LEU 33 -2.320 -2.432 8.137 167 HG LEU 33 HG LEU 33 -4.446 -0.374 7.567 168 1HD1 LEU 33 HD11 LEU 33 -3.462 -1.761 5.696 169 2HD1 LEU 33 HD12 LEU 33 -5.209 -1.870 5.913 170 3HD1 LEU 33 HD13 LEU 33 -4.166 -3.167 6.495 171 1HD2 LEU 33 HD21 LEU 33 -5.917 -2.442 8.233 172 2HD2 LEU 33 HD22 LEU 33 -5.335 -1.319 9.461 173 3HD2 LEU 33 HD23 LEU 33 -4.512 -2.858 9.213 174 H LEU 34 HN LEU 34 -1.685 1.374 8.784 175 HA LEU 34 HA LEU 34 1.130 1.005 8.852 176 1HB LEU 34 HB2 LEU 34 -0.508 3.547 8.795 177 2HB LEU 34 HB1 LEU 34 1.217 3.458 8.501 178 HG LEU 34 HG LEU 34 -0.864 2.093 6.796 179 1HD1 LEU 34 HD11 LEU 34 -1.229 4.368 6.425 180 2HD1 LEU 34 HD12 LEU 34 -0.114 3.896 5.142 181 3HD1 LEU 34 HD13 LEU 34 0.486 4.759 6.559 182 1HD2 LEU 34 HD21 LEU 34 1.379 2.371 5.293 183 2HD2 LEU 34 HD22 LEU 34 0.949 0.916 6.192 184 3HD2 LEU 34 HD23 LEU 34 2.065 2.087 6.893 185 H LYS 35 HN LYS 35 -1.197 2.636 10.936 186 HA LYS 35 HA LYS 35 0.426 3.775 12.828 187 1HB LYS 35 HB2 LYS 35 -2.295 2.516 12.976 188 2HB LYS 35 HB1 LYS 35 -1.549 3.175 14.419 189 1HG LYS 35 HG2 LYS 35 -2.387 4.618 11.927 190 2HG LYS 35 HG1 LYS 35 -2.938 4.872 13.582 191 1HD LYS 35 HD2 LYS 35 -0.555 5.561 14.120 192 2HD LYS 35 HD1 LYS 35 -0.272 5.584 12.379 193 1HE LYS 35 HE2 LYS 35 -0.858 7.803 13.398 194 2HE LYS 35 HE1 LYS 35 -1.879 7.299 12.051 195 1HZ LYS 35 HZ1 LYS 35 -2.779 6.546 14.715 196 2HZ LYS 35 HZ2 LYS 35 -3.673 7.073 13.379 197 3HZ LYS 35 HZ3 LYS 35 -2.851 8.195 14.341 198 H SER 36 HN SER 36 -0.495 0.410 12.488 199 HA SER 36 HA SER 36 0.908 -0.318 14.937 200 1HB SER 36 HB2 SER 36 -1.274 -1.417 13.469 201 2HB SER 36 HB1 SER 36 0.015 -2.620 13.499 202 HG SER 36 HG SER 36 -1.428 -2.700 15.327 203 H ALA 37 HN ALA 37 1.422 -0.222 11.531 204 HA ALA 37 HA ALA 37 3.476 -2.226 11.464 205 1HB ALA 37 HB1 ALA 37 2.625 -0.142 9.461 206 2HB ALA 37 HB2 ALA 37 2.244 -1.865 9.460 207 3HB ALA 37 HB3 ALA 37 3.897 -1.327 9.167 208 H GLY 38 HN GLY 38 3.404 0.926 12.634 209 1HA GLY 38 HA2 GLY 38 5.459 1.629 13.783 210 2HA GLY 38 HA1 GLY 38 6.340 1.119 12.351 211 H ALA 39 HN ALA 39 3.332 2.963 12.429 212 HA ALA 39 HA ALA 39 4.770 5.180 11.137 213 1HB ALA 39 HB1 ALA 39 2.099 5.591 10.603 214 2HB ALA 39 HB2 ALA 39 2.264 3.840 10.532 215 3HB ALA 39 HB3 ALA 39 3.274 4.858 9.512 216 H GLN 40 HN GLN 40 4.292 7.369 11.819 217 HA GLN 40 HA GLN 40 2.702 7.558 14.286 218 1HB GLN 40 HB2 GLN 40 5.454 7.804 14.155 219 2HB GLN 40 HB1 GLN 40 4.899 9.473 14.138 220 1HG GLN 40 HG2 GLN 40 5.257 8.926 16.393 221 2HG GLN 40 HG1 GLN 40 3.509 8.907 16.161 222 1HE2 GLN 40 HE21 GLN 40 5.941 7.350 17.632 223 2HE2 GLN 40 HE22 GLN 40 5.282 5.756 17.720 224 H LYS 41 HN LYS 41 2.245 8.276 11.343 225 HA LYS 41 HA LYS 41 1.220 10.957 11.910 226 1HB LYS 41 HB2 LYS 41 1.870 11.672 9.585 227 2HB LYS 41 HB1 LYS 41 3.204 11.486 10.711 228 1HG LYS 41 HG2 LYS 41 2.407 9.328 8.786 229 2HG LYS 41 HG1 LYS 41 3.553 10.602 8.372 230 1HD LYS 41 HD2 LYS 41 4.599 9.791 10.710 231 2HD LYS 41 HD1 LYS 41 3.859 8.282 10.174 232 1HE LYS 41 HE2 LYS 41 5.103 8.313 8.136 233 2HE LYS 41 HE1 LYS 41 5.691 9.944 8.457 234 1HZ LYS 41 HZ1 LYS 41 6.341 7.541 10.077 235 2HZ LYS 41 HZ2 LYS 41 6.935 9.103 10.335 236 3HZ LYS 41 HZ3 LYS 41 7.365 8.256 8.935 237 H GLU 42 HN GLU 42 -0.141 11.639 9.808 238 HA GLU 42 HA GLU 42 -2.044 9.442 9.451 239 1HB GLU 42 HB2 GLU 42 -2.264 12.429 9.305 240 2HB GLU 42 HB1 GLU 42 -3.476 11.415 8.534 241 1HG GLU 42 HG2 GLU 42 -3.320 10.297 11.009 242 2HG GLU 42 HG1 GLU 42 -3.028 11.999 11.362 243 H THR 43 HN THR 43 0.115 11.519 7.676 244 HA THR 43 HA THR 43 -0.861 10.355 5.152 245 HB THR 43 HB THR 43 1.026 12.594 4.950 246 HG1 THR 43 HG1 THR 43 -0.502 14.139 5.602 247 1HG2 THR 43 HG21 THR 43 -1.583 11.842 3.717 248 2HG2 THR 43 HG22 THR 43 -0.015 12.108 2.954 249 3HG2 THR 43 HG23 THR 43 -0.948 13.479 3.554 250 H PHE 44 HN PHE 44 0.593 9.450 3.692 251 HA PHE 44 HA PHE 44 3.402 9.242 4.435 252 1HB PHE 44 HB2 PHE 44 1.728 6.763 4.001 253 2HB PHE 44 HB1 PHE 44 3.441 6.822 4.395 254 HD1 PHE 44 HD1 PHE 44 0.061 7.564 5.703 255 HD2 PHE 44 HD2 PHE 44 4.161 6.879 6.615 256 HE1 PHE 44 HE1 PHE 44 -0.500 7.419 8.094 257 HE2 PHE 44 HE2 PHE 44 3.605 6.737 9.008 258 HZ PHE 44 HZ PHE 44 1.272 7.010 9.748 259 H THR 45 HN THR 45 4.754 8.816 2.709 260 HA THR 45 HA THR 45 3.615 9.166 0.087 261 HB THR 45 HB THR 45 6.094 8.806 -0.587 262 HG1 THR 45 HG1 THR 45 7.556 8.983 1.069 263 1HG2 THR 45 HG21 THR 45 5.635 11.010 -0.743 264 2HG2 THR 45 HG22 THR 45 6.695 11.072 0.665 265 3HG2 THR 45 HG23 THR 45 4.945 11.096 0.877 266 H MET 46 HN MET 46 3.737 7.650 -1.628 267 HA MET 46 HA MET 46 2.904 5.125 -1.156 268 1HB MET 46 HB2 MET 46 4.078 6.503 -3.428 269 2HB MET 46 HB1 MET 46 4.429 4.779 -3.447 270 1HG MET 46 HG2 MET 46 1.784 4.795 -2.815 271 2HG MET 46 HG1 MET 46 1.909 6.194 -3.876 272 1HE MET 46 HE1 MET 46 2.227 2.672 -3.180 273 2HE MET 46 HE2 MET 46 2.739 1.843 -4.651 274 3HE MET 46 HE3 MET 46 1.045 2.281 -4.430 275 H LYS 47 HN LYS 47 6.272 6.169 -1.214 276 HA LYS 47 HA LYS 47 7.446 3.611 -1.152 277 1HB LYS 47 HB2 LYS 47 8.447 6.083 -1.379 278 2HB LYS 47 HB1 LYS 47 8.763 5.824 0.331 279 1HG LYS 47 HG2 LYS 47 10.694 5.217 -0.980 280 2HG LYS 47 HG1 LYS 47 10.001 3.783 -0.218 281 1HD LYS 47 HD2 LYS 47 9.029 4.453 -2.932 282 2HD LYS 47 HD1 LYS 47 10.690 3.875 -2.803 283 1HE LYS 47 HE2 LYS 47 9.236 2.170 -1.169 284 2HE LYS 47 HE1 LYS 47 8.199 2.423 -2.572 285 1HZ LYS 47 HZ1 LYS 47 9.614 1.336 -3.925 286 2HZ LYS 47 HZ2 LYS 47 10.122 0.598 -2.491 287 3HZ LYS 47 HZ3 LYS 47 11.002 1.892 -3.133 288 H GLU 48 HN GLU 48 6.594 5.845 1.488 289 HA GLU 48 HA GLU 48 7.377 4.095 3.575 290 1HB GLU 48 HB2 GLU 48 5.304 6.287 3.706 291 2HB GLU 48 HB1 GLU 48 6.176 5.584 5.059 292 1HG GLU 48 HG2 GLU 48 7.308 7.292 2.860 293 2HG GLU 48 HG1 GLU 48 7.125 7.716 4.561 294 H VAL 49 HN VAL 49 4.283 4.749 1.991 295 HA VAL 49 HA VAL 49 2.624 3.152 3.560 296 HB VAL 49 HB VAL 49 2.322 3.411 0.571 297 1HG1 VAL 49 HG11 VAL 49 0.697 1.965 1.458 298 2HG1 VAL 49 HG12 VAL 49 -0.117 3.518 1.268 299 3HG1 VAL 49 HG13 VAL 49 0.426 2.996 2.863 300 1HG2 VAL 49 HG21 VAL 49 0.848 5.438 1.909 301 2HG2 VAL 49 HG22 VAL 49 2.137 5.619 0.718 302 3HG2 VAL 49 HG23 VAL 49 2.528 5.546 2.438 303 H LEU 50 HN LEU 50 4.347 2.330 0.570 304 HA LEU 50 HA LEU 50 3.626 -0.408 0.577 305 1HB LEU 50 HB2 LEU 50 4.961 1.368 -1.132 306 2HB LEU 50 HB1 LEU 50 6.127 0.111 -0.779 307 HG LEU 50 HG LEU 50 3.344 -0.407 -1.824 308 1HD1 LEU 50 HD11 LEU 50 4.209 -0.589 -3.984 309 2HD1 LEU 50 HD12 LEU 50 5.877 -0.613 -3.413 310 3HD1 LEU 50 HD13 LEU 50 4.944 0.882 -3.347 311 1HD2 LEU 50 HD21 LEU 50 4.182 -2.310 -0.654 312 2HD2 LEU 50 HD22 LEU 50 5.758 -2.165 -1.433 313 3HD2 LEU 50 HD23 LEU 50 4.343 -2.628 -2.382 314 H TYR 51 HN TYR 51 6.020 1.392 2.272 315 HA TYR 51 HA TYR 51 7.814 -0.791 2.740 316 1HB TYR 51 HB2 TYR 51 8.658 1.484 2.788 317 2HB TYR 51 HB1 TYR 51 7.559 1.902 4.096 318 HD1 TYR 51 HD1 TYR 51 10.521 -0.138 3.223 319 HD2 TYR 51 HD2 TYR 51 8.131 1.470 6.355 320 HE1 TYR 51 HE1 TYR 51 12.239 -0.786 4.859 321 HE2 TYR 51 HE2 TYR 51 9.843 0.827 7.999 322 HH TYR 51 HH TYR 51 11.818 -1.169 7.914 323 H HIS 52 HN HIS 52 5.611 1.006 4.932 324 HA HIS 52 HA HIS 52 5.903 -0.697 7.114 325 1HB HIS 52 HB2 HIS 52 3.268 0.619 6.519 326 2HB HIS 52 HB1 HIS 52 4.037 0.343 8.073 327 HD1 HIS 52 HD1 HIS 52 6.574 1.721 8.068 328 HD2 HIS 52 HD2 HIS 52 3.345 3.256 5.951 329 HE1 HIS 52 HE1 HIS 52 7.063 4.170 7.780 330 HE2 HIS 52 HE2 HIS 52 5.038 5.098 6.605 331 H LEU 53 HN LEU 53 3.646 -0.875 4.382 332 HA LEU 53 HA LEU 53 1.986 -2.883 5.152 333 1HB LEU 53 HB2 LEU 53 2.683 -1.588 2.769 334 2HB LEU 53 HB1 LEU 53 2.851 -3.302 2.434 335 HG LEU 53 HG LEU 53 0.585 -3.705 3.082 336 1HD1 LEU 53 HD11 LEU 53 -0.180 -2.406 4.731 337 2HD1 LEU 53 HD12 LEU 53 -0.736 -1.376 3.410 338 3HD1 LEU 53 HD13 LEU 53 0.788 -1.020 4.223 339 1HD2 LEU 53 HD21 LEU 53 1.218 -1.692 1.030 340 2HD2 LEU 53 HD22 LEU 53 -0.485 -1.850 1.462 341 3HD2 LEU 53 HD23 LEU 53 0.410 -3.252 0.877 342 H GLY 54 HN GLY 54 5.172 -3.275 3.587 343 1HA GLY 54 HA2 GLY 54 5.243 -6.060 3.535 344 2HA GLY 54 HA1 GLY 54 6.664 -5.029 3.660 345 H GLN 55 HN GLN 55 5.939 -3.808 6.137 346 HA GLN 55 HA GLN 55 6.839 -5.882 7.936 347 1HB GLN 55 HB2 GLN 55 6.279 -2.939 8.282 348 2HB GLN 55 HB1 GLN 55 6.733 -3.977 9.627 349 1HG GLN 55 HG2 GLN 55 8.795 -4.579 8.314 350 2HG GLN 55 HG1 GLN 55 8.359 -3.284 7.200 351 1HE2 GLN 55 HE21 GLN 55 8.975 -3.941 10.618 352 2HE2 GLN 55 HE22 GLN 55 9.663 -2.397 10.974 353 H TYR 56 HN TYR 56 3.883 -4.234 7.158 354 HA TYR 56 HA TYR 56 2.422 -4.845 9.504 355 1HB TYR 56 HB2 TYR 56 1.602 -3.105 8.078 356 2HB TYR 56 HB1 TYR 56 1.575 -4.174 6.683 357 HD1 TYR 56 HD1 TYR 56 -0.078 -3.446 9.914 358 HD2 TYR 56 HD2 TYR 56 -0.313 -5.510 6.204 359 HE1 TYR 56 HE1 TYR 56 -2.421 -4.016 10.390 360 HE2 TYR 56 HE2 TYR 56 -2.661 -6.079 6.663 361 HH TYR 56 HH TYR 56 -4.060 -6.323 9.067 362 H ILE 57 HN ILE 57 2.689 -6.441 6.347 363 HA ILE 57 HA ILE 57 0.876 -8.534 6.885 364 HB ILE 57 HB ILE 57 3.218 -8.588 4.978 365 1HG1 ILE 57 HG12 ILE 57 0.360 -7.768 4.426 366 2HG1 ILE 57 HG11 ILE 57 1.681 -6.631 4.673 367 1HG2 ILE 57 HG21 ILE 57 2.435 -10.518 4.150 368 2HG2 ILE 57 HG22 ILE 57 0.751 -10.015 4.300 369 3HG2 ILE 57 HG23 ILE 57 1.606 -10.659 5.701 370 1HD1 ILE 57 HD11 ILE 57 1.798 -8.731 2.544 371 2HD1 ILE 57 HD12 ILE 57 2.725 -7.237 2.680 372 3HD1 ILE 57 HD13 ILE 57 1.008 -7.176 2.281 373 H MET 58 HN MET 58 4.449 -8.606 6.811 374 HA MET 58 HA MET 58 4.824 -11.184 7.710 375 1HB MET 58 HB2 MET 58 7.049 -10.508 8.390 376 2HB MET 58 HB1 MET 58 6.625 -9.717 6.878 377 1HG MET 58 HG2 MET 58 6.112 -7.666 8.082 378 2HG MET 58 HG1 MET 58 6.508 -8.455 9.607 379 1HE MET 58 HE1 MET 58 9.509 -7.561 6.241 380 2HE MET 58 HE2 MET 58 8.090 -6.538 6.464 381 3HE MET 58 HE3 MET 58 7.894 -8.241 6.049 382 H ALA 59 HN ALA 59 4.336 -8.252 9.638 383 HA ALA 59 HA ALA 59 4.783 -9.412 12.161 384 1HB ALA 59 HB1 ALA 59 3.052 -7.450 12.768 385 2HB ALA 59 HB2 ALA 59 3.534 -6.935 11.152 386 3HB ALA 59 HB3 ALA 59 4.754 -7.164 12.405 387 H LYS 60 HN LYS 60 1.672 -8.640 10.583 388 HA LYS 60 HA LYS 60 0.094 -10.026 12.461 389 1HB LYS 60 HB2 LYS 60 -0.312 -8.808 9.787 390 2HB LYS 60 HB1 LYS 60 -1.495 -10.001 10.296 391 1HG LYS 60 HG2 LYS 60 -2.075 -7.629 10.799 392 2HG LYS 60 HG1 LYS 60 -2.120 -8.719 12.183 393 1HD LYS 60 HD2 LYS 60 -0.962 -7.016 13.139 394 2HD LYS 60 HD1 LYS 60 0.404 -7.850 12.401 395 1HE LYS 60 HE2 LYS 60 -0.171 -6.331 10.348 396 2HE LYS 60 HE1 LYS 60 -0.972 -5.338 11.564 397 1HZ LYS 60 HZ1 LYS 60 1.869 -5.848 11.160 398 2HZ LYS 60 HZ2 LYS 60 1.345 -5.716 12.763 399 3HZ LYS 60 HZ3 LYS 60 1.085 -4.442 11.681 400 H GLN 61 HN GLN 61 1.994 -11.109 9.807 401 HA GLN 61 HA GLN 61 2.477 -13.191 9.034 402 1HB GLN 61 HB2 GLN 61 2.241 -13.784 11.494 403 2HB GLN 61 HB1 GLN 61 0.604 -14.305 11.118 404 1HG GLN 61 HG2 GLN 61 1.412 -16.292 10.591 405 2HG GLN 61 HG1 GLN 61 2.244 -15.549 9.226 406 1HE2 GLN 61 HE21 GLN 61 4.088 -13.999 10.657 407 2HE2 GLN 61 HE22 GLN 61 5.217 -15.062 11.419 408 H LEU 62 HN LEU 62 0.959 -12.056 7.369 409 HA LEU 62 HA LEU 62 -1.475 -13.639 6.957 410 1HB LEU 62 HB2 LEU 62 -0.626 -11.226 5.374 411 2HB LEU 62 HB1 LEU 62 -2.227 -11.931 5.494 412 HG LEU 62 HG LEU 62 -0.760 -10.394 7.634 413 1HD1 LEU 62 HD11 LEU 62 -3.184 -9.840 5.945 414 2HD1 LEU 62 HD12 LEU 62 -1.696 -8.901 6.065 415 3HD1 LEU 62 HD13 LEU 62 -2.821 -8.948 7.422 416 1HD2 LEU 62 HD21 LEU 62 -2.738 -12.434 7.913 417 2HD2 LEU 62 HD22 LEU 62 -3.440 -10.882 8.366 418 3HD2 LEU 62 HD23 LEU 62 -1.973 -11.452 9.160 419 H TYR 63 HN TYR 63 1.575 -14.153 6.273 420 HA TYR 63 HA TYR 63 1.243 -14.746 3.429 421 1HB TYR 63 HB2 TYR 63 3.674 -15.178 3.448 422 2HB TYR 63 HB1 TYR 63 3.283 -13.567 4.040 423 HD1 TYR 63 HD1 TYR 63 4.066 -17.012 5.224 424 HD2 TYR 63 HD2 TYR 63 4.099 -12.850 6.103 425 HE1 TYR 63 HE1 TYR 63 5.325 -17.463 7.288 426 HE2 TYR 63 HE2 TYR 63 5.355 -13.288 8.170 427 HH TYR 63 HH TYR 63 5.613 -16.239 9.574 428 H ASP 64 HN ASP 64 1.761 -16.841 2.581 429 HA ASP 64 HA ASP 64 0.751 -18.968 4.214 430 1HB ASP 64 HB2 ASP 64 0.223 -18.888 1.833 431 2HB ASP 64 HB1 ASP 64 1.928 -19.012 1.424 432 H GLU 65 HN GLU 65 1.818 -20.780 4.971 433 HA GLU 65 HA GLU 65 4.463 -20.398 5.867 434 1HB GLU 65 HB2 GLU 65 2.388 -22.048 6.560 435 2HB GLU 65 HB1 GLU 65 3.519 -23.178 5.828 436 1HG GLU 65 HG2 GLU 65 4.306 -21.239 7.982 437 2HG GLU 65 HG1 GLU 65 3.712 -22.865 8.315 438 H LYS 66 HN LYS 66 3.200 -22.814 3.544 439 HA LYS 66 HA LYS 66 5.674 -23.838 2.795 440 1HB LYS 66 HB2 LYS 66 4.554 -25.051 1.216 441 2HB LYS 66 HB1 LYS 66 3.216 -24.587 2.253 442 1HG LYS 66 HG2 LYS 66 2.650 -22.780 0.744 443 2HG LYS 66 HG1 LYS 66 4.009 -23.214 -0.293 444 1HD LYS 66 HD2 LYS 66 2.717 -25.597 -0.082 445 2HD LYS 66 HD1 LYS 66 1.365 -24.466 -0.010 446 1HE LYS 66 HE2 LYS 66 1.491 -24.096 -2.198 447 2HE LYS 66 HE1 LYS 66 3.198 -23.672 -2.072 448 1HZ LYS 66 HZ1 LYS 66 1.982 -26.297 -2.637 449 2HZ LYS 66 HZ2 LYS 66 3.539 -26.205 -1.983 450 3HZ LYS 66 HZ3 LYS 66 3.206 -25.486 -3.478 451 H GLN 67 HN GLN 67 3.801 -21.237 1.245 452 HA GLN 67 HA GLN 67 6.311 -20.392 -0.056 453 1HB GLN 67 HB2 GLN 67 4.590 -19.175 -1.653 454 2HB GLN 67 HB1 GLN 67 5.074 -20.838 -1.931 455 1HG GLN 67 HG2 GLN 67 3.004 -21.462 -0.575 456 2HG GLN 67 HG1 GLN 67 2.502 -19.801 -0.810 457 1HE2 GLN 67 HE21 GLN 67 3.531 -19.454 -3.408 458 2HE2 GLN 67 HE22 GLN 67 2.596 -20.421 -4.491 459 H GLN 68 HN GLN 68 7.085 -18.517 0.608 460 HA GLN 68 HA GLN 68 5.544 -16.868 2.397 461 1HB GLN 68 HB2 GLN 68 8.376 -16.909 1.445 462 2HB GLN 68 HB1 GLN 68 7.750 -15.446 2.192 463 1HG GLN 68 HG2 GLN 68 8.629 -16.506 4.008 464 2HG GLN 68 HG1 GLN 68 6.968 -17.096 4.063 465 1HE2 GLN 68 HE21 GLN 68 6.757 -19.189 4.353 466 2HE2 GLN 68 HE22 GLN 68 7.913 -20.402 3.932 467 H HIS 69 HN HIS 69 5.822 -17.005 -0.937 468 HA HIS 69 HA HIS 69 5.545 -14.133 -1.321 469 1HB HIS 69 HB2 HIS 69 6.149 -14.453 -3.500 470 2HB HIS 69 HB1 HIS 69 6.878 -15.895 -2.810 471 HD1 HIS 69 HD1 HIS 69 4.072 -14.764 -5.006 472 HD2 HIS 69 HD2 HIS 69 5.703 -18.316 -3.594 473 HE1 HIS 69 HE1 HIS 69 3.022 -16.582 -6.389 474 HE2 HIS 69 HE2 HIS 69 4.081 -18.716 -5.568 475 H ILE 70 HN ILE 70 3.475 -16.166 -0.163 476 HA ILE 70 HA ILE 70 1.226 -15.250 -1.838 477 HB ILE 70 HB ILE 70 1.181 -17.693 -0.079 478 1HG1 ILE 70 HG12 ILE 70 2.808 -18.145 -1.791 479 2HG1 ILE 70 HG11 ILE 70 1.319 -18.988 -2.197 480 1HG2 ILE 70 HG21 ILE 70 -0.957 -17.931 -0.669 481 2HG2 ILE 70 HG22 ILE 70 -0.635 -17.528 -2.355 482 3HG2 ILE 70 HG23 ILE 70 -0.870 -16.242 -1.171 483 1HD1 ILE 70 HD11 ILE 70 2.459 -16.532 -3.461 484 2HD1 ILE 70 HD12 ILE 70 0.790 -17.045 -3.711 485 3HD1 ILE 70 HD13 ILE 70 2.120 -18.097 -4.196 486 H VAL 71 HN VAL 71 -0.418 -14.219 -0.868 487 HA VAL 71 HA VAL 71 -0.413 -14.066 2.072 488 HB VAL 71 HB VAL 71 -1.045 -11.743 0.250 489 1HG1 VAL 71 HG11 VAL 71 -1.619 -10.564 2.081 490 2HG1 VAL 71 HG12 VAL 71 -0.376 -11.315 3.082 491 3HG1 VAL 71 HG13 VAL 71 -1.900 -12.155 2.790 492 1HG2 VAL 71 HG21 VAL 71 1.496 -12.669 1.455 493 2HG2 VAL 71 HG22 VAL 71 1.154 -10.940 1.550 494 3HG2 VAL 71 HG23 VAL 71 1.208 -11.743 -0.020 495 H HIS 72 HN HIS 72 -2.134 -15.397 2.447 496 HA HIS 72 HA HIS 72 -4.688 -14.581 1.228 497 1HB HIS 72 HB2 HIS 72 -5.402 -16.988 1.561 498 2HB HIS 72 HB1 HIS 72 -4.201 -16.710 0.307 499 HD1 HIS 72 HD1 HIS 72 -3.741 -19.335 0.692 500 HD2 HIS 72 HD2 HIS 72 -2.599 -16.796 3.777 501 HE1 HIS 72 HE1 HIS 72 -2.154 -20.672 2.111 502 HE2 HIS 72 HE2 HIS 72 -1.544 -19.144 4.018 503 H CYS 73 HN CYS 73 -5.511 -13.332 2.803 504 HA CYS 73 HA CYS 73 -6.056 -14.644 5.376 505 1HB CYS 73 HB2 CYS 73 -4.259 -12.653 5.225 506 2HB CYS 73 HB1 CYS 73 -5.728 -11.692 5.373 507 HG CYS 73 HG CYS 73 -4.888 -12.119 7.762 508 H SER 74 HN SER 74 -8.190 -15.087 5.130 509 HA SER 74 HA SER 74 -9.968 -13.364 3.730 510 1HB SER 74 HB2 SER 74 -11.639 -14.953 5.184 511 2HB SER 74 HB1 SER 74 -10.916 -15.426 3.647 512 HG SER 74 HG SER 74 -9.426 -16.619 4.698 513 H ASN 75 HN ASN 75 -9.508 -14.003 7.212 514 HA ASN 75 HA ASN 75 -11.226 -11.663 7.672 515 1HB ASN 75 HB2 ASN 75 -10.327 -13.925 9.451 516 2HB ASN 75 HB1 ASN 75 -11.012 -12.446 10.119 517 1HD2 ASN 75 HD21 ASN 75 -12.907 -13.174 10.871 518 2HD2 ASN 75 HD22 ASN 75 -14.136 -13.902 9.900 519 H ASP 76 HN ASP 76 -9.818 -10.057 7.161 520 HA ASP 76 HA ASP 76 -8.002 -9.299 9.249 521 1HB ASP 76 HB2 ASP 76 -6.903 -10.798 7.147 522 2HB ASP 76 HB1 ASP 76 -6.438 -9.130 6.825 523 HA PRO 77 HA PRO 77 -9.278 -5.265 8.034 524 1HB PRO 77 HB2 PRO 77 -6.516 -4.327 8.485 525 2HB PRO 77 HB1 PRO 77 -8.016 -3.827 9.260 526 1HG PRO 77 HG2 PRO 77 -6.144 -5.348 10.492 527 2HG PRO 77 HG1 PRO 77 -7.868 -5.402 10.886 528 1HD PRO 77 HD2 PRO 77 -6.205 -7.356 9.424 529 2HD PRO 77 HD1 PRO 77 -7.702 -7.592 10.340 530 H LEU 78 HN LEU 78 -6.369 -6.693 6.712 531 HA LEU 78 HA LEU 78 -6.061 -4.823 4.572 532 1HB LEU 78 HB2 LEU 78 -4.300 -6.395 5.606 533 2HB LEU 78 HB1 LEU 78 -5.000 -7.634 4.582 534 HG LEU 78 HG LEU 78 -4.551 -5.984 2.641 535 1HD1 LEU 78 HD11 LEU 78 -3.231 -4.184 2.951 536 2HD1 LEU 78 HD12 LEU 78 -2.283 -4.962 4.218 537 3HD1 LEU 78 HD13 LEU 78 -3.861 -4.271 4.596 538 1HD2 LEU 78 HD21 LEU 78 -3.222 -8.133 3.589 539 2HD2 LEU 78 HD22 LEU 78 -1.959 -6.906 3.689 540 3HD2 LEU 78 HD23 LEU 78 -2.746 -7.238 2.146 541 H GLY 79 HN GLY 79 -7.327 -8.141 4.806 542 1HA GLY 79 HA2 GLY 79 -8.028 -8.472 2.121 543 2HA GLY 79 HA1 GLY 79 -8.796 -9.295 3.472 544 H GLU 80 HN GLU 80 -9.795 -6.958 4.769 545 HA GLU 80 HA GLU 80 -12.206 -6.613 3.278 546 1HB GLU 80 HB2 GLU 80 -13.067 -5.583 5.171 547 2HB GLU 80 HB1 GLU 80 -11.843 -6.641 5.857 548 1HG GLU 80 HG2 GLU 80 -11.134 -4.844 6.950 549 2HG GLU 80 HG1 GLU 80 -10.442 -4.332 5.412 550 H LEU 81 HN LEU 81 -9.241 -4.868 3.586 551 HA LEU 81 HA LEU 81 -10.252 -2.362 2.609 552 1HB LEU 81 HB2 LEU 81 -8.304 -2.444 4.074 553 2HB LEU 81 HB1 LEU 81 -7.435 -3.407 2.898 554 HG LEU 81 HG LEU 81 -7.461 -1.516 1.326 555 1HD1 LEU 81 HD11 LEU 81 -9.577 -0.524 2.281 556 2HD1 LEU 81 HD12 LEU 81 -8.290 0.619 1.899 557 3HD1 LEU 81 HD13 LEU 81 -8.577 0.141 3.572 558 1HD2 LEU 81 HD21 LEU 81 -5.592 -0.644 2.221 559 2HD2 LEU 81 HD22 LEU 81 -5.833 -1.875 3.461 560 3HD2 LEU 81 HD23 LEU 81 -6.388 -0.225 3.738 561 H PHE 82 HN PHE 82 -7.922 -4.699 1.254 562 HA PHE 82 HA PHE 82 -8.021 -3.618 -1.358 563 1HB PHE 82 HB2 PHE 82 -7.122 -6.340 -0.391 564 2HB PHE 82 HB1 PHE 82 -6.873 -5.734 -2.025 565 HD1 PHE 82 HD1 PHE 82 -6.143 -2.920 -1.449 566 HD2 PHE 82 HD2 PHE 82 -4.964 -6.543 0.447 567 HE1 PHE 82 HE1 PHE 82 -4.043 -1.857 -0.734 568 HE2 PHE 82 HE2 PHE 82 -2.861 -5.486 1.165 569 HZ PHE 82 HZ PHE 82 -2.398 -3.140 0.575 570 H GLY 83 HN GLY 83 -9.984 -5.943 0.319 571 1HA GLY 83 HA2 GLY 83 -12.074 -6.738 -0.297 572 2HA GLY 83 HA1 GLY 83 -11.882 -5.949 -1.855 573 H VAL 84 HN VAL 84 -9.737 -8.321 -0.339 574 HA VAL 84 HA VAL 84 -10.586 -10.343 -2.272 575 HB VAL 84 HB VAL 84 -8.252 -10.861 -2.885 576 1HG1 VAL 84 HG11 VAL 84 -8.796 -7.981 -3.534 577 2HG1 VAL 84 HG12 VAL 84 -9.780 -9.289 -4.191 578 3HG1 VAL 84 HG13 VAL 84 -8.054 -9.219 -4.547 579 1HG2 VAL 84 HG21 VAL 84 -6.758 -10.093 -1.370 580 2HG2 VAL 84 HG22 VAL 84 -7.724 -8.672 -0.976 581 3HG2 VAL 84 HG23 VAL 84 -6.737 -8.689 -2.437 582 H GLN 85 HN GLN 85 -9.673 -12.495 -1.792 583 HA GLN 85 HA GLN 85 -9.461 -12.864 1.101 584 1HB GLN 85 HB2 GLN 85 -11.201 -14.151 0.020 585 2HB GLN 85 HB1 GLN 85 -10.053 -14.804 -1.140 586 1HG GLN 85 HG2 GLN 85 -8.938 -16.045 0.583 587 2HG GLN 85 HG1 GLN 85 -9.941 -15.298 1.824 588 1HE2 GLN 85 HE21 GLN 85 -9.754 -18.023 1.613 589 2HE2 GLN 85 HE22 GLN 85 -11.262 -18.669 1.071 590 H GLU 86 HN GLU 86 -7.707 -13.359 -1.881 591 HA GLU 86 HA GLU 86 -5.253 -13.731 -0.421 592 1HB GLU 86 HB2 GLU 86 -4.673 -15.868 -1.556 593 2HB GLU 86 HB1 GLU 86 -5.998 -16.022 -0.411 594 1HG GLU 86 HG2 GLU 86 -7.250 -15.463 -2.814 595 2HG GLU 86 HG1 GLU 86 -5.932 -16.547 -3.254 596 H PHE 87 HN PHE 87 -3.390 -13.458 -1.712 597 HA PHE 87 HA PHE 87 -3.598 -13.078 -4.547 598 1HB PHE 87 HB2 PHE 87 -3.059 -10.707 -4.604 599 2HB PHE 87 HB1 PHE 87 -4.562 -10.951 -3.720 600 HD1 PHE 87 HD1 PHE 87 -1.164 -9.749 -3.571 601 HD2 PHE 87 HD2 PHE 87 -4.570 -10.791 -1.243 602 HE1 PHE 87 HE1 PHE 87 -0.234 -8.506 -1.662 603 HE2 PHE 87 HE2 PHE 87 -3.648 -9.549 0.670 604 HZ PHE 87 HZ PHE 87 -1.477 -8.405 0.462 605 H SER 88 HN SER 88 -1.550 -12.689 -5.551 606 HA SER 88 HA SER 88 0.681 -13.571 -3.870 607 1HB SER 88 HB2 SER 88 0.010 -13.811 -6.757 608 2HB SER 88 HB1 SER 88 1.719 -13.685 -6.341 609 HG SER 88 HG SER 88 0.612 -15.866 -6.392 610 H VAL 89 HN VAL 89 2.643 -12.467 -3.799 611 HA VAL 89 HA VAL 89 2.426 -9.622 -4.365 612 HB VAL 89 HB VAL 89 4.695 -9.551 -3.184 613 1HG1 VAL 89 HG11 VAL 89 3.516 -10.040 -0.923 614 2HG1 VAL 89 HG12 VAL 89 2.086 -10.284 -1.926 615 3HG1 VAL 89 HG13 VAL 89 2.925 -8.733 -1.949 616 1HG2 VAL 89 HG21 VAL 89 3.884 -12.297 -2.253 617 2HG2 VAL 89 HG22 VAL 89 5.357 -11.409 -1.863 618 3HG2 VAL 89 HG23 VAL 89 5.101 -12.017 -3.499 619 H LYS 90 HN LYS 90 3.096 -11.978 -6.341 620 HA LYS 90 HA LYS 90 5.688 -11.255 -7.342 621 1HB LYS 90 HB2 LYS 90 4.203 -13.492 -7.562 622 2HB LYS 90 HB1 LYS 90 3.791 -12.720 -9.087 623 1HG LYS 90 HG2 LYS 90 6.247 -12.515 -9.540 624 2HG LYS 90 HG1 LYS 90 6.521 -13.520 -8.115 625 1HD LYS 90 HD2 LYS 90 5.259 -15.331 -9.105 626 2HD LYS 90 HD1 LYS 90 4.846 -14.323 -10.493 627 1HE LYS 90 HE2 LYS 90 6.627 -15.297 -11.450 628 2HE LYS 90 HE1 LYS 90 7.554 -14.140 -10.496 629 1HZ LYS 90 HZ1 LYS 90 6.825 -16.735 -9.320 630 2HZ LYS 90 HZ2 LYS 90 8.141 -15.733 -8.969 631 3HZ LYS 90 HZ3 LYS 90 8.130 -16.646 -10.393 632 H GLU 91 HN GLU 91 2.361 -10.430 -8.056 633 HA GLU 91 HA GLU 91 3.162 -8.872 -10.394 634 1HB GLU 91 HB2 GLU 91 0.666 -8.453 -10.569 635 2HB GLU 91 HB1 GLU 91 1.185 -10.120 -10.775 636 1HG GLU 91 HG2 GLU 91 0.450 -10.704 -8.592 637 2HG GLU 91 HG1 GLU 91 0.167 -9.015 -8.172 638 H HIS 92 HN HIS 92 4.397 -7.332 -9.158 639 HA HIS 92 HA HIS 92 3.399 -5.752 -7.089 640 1HB HIS 92 HB2 HIS 92 5.495 -5.193 -9.187 641 2HB HIS 92 HB1 HIS 92 5.154 -4.088 -7.859 642 HD1 HIS 92 HD1 HIS 92 7.929 -5.354 -8.129 643 HD2 HIS 92 HD2 HIS 92 4.859 -6.970 -5.841 644 HE1 HIS 92 HE1 HIS 92 9.060 -6.806 -6.416 645 HE2 HIS 92 HE2 HIS 92 7.179 -7.831 -5.089 646 H ARG 93 HN ARG 93 2.966 -5.519 -10.548 647 HA ARG 93 HA ARG 93 2.113 -2.886 -10.796 648 1HB ARG 93 HB2 ARG 93 1.577 -5.402 -12.312 649 2HB ARG 93 HB1 ARG 93 0.615 -3.977 -12.682 650 1HG ARG 93 HG2 ARG 93 3.354 -3.213 -12.565 651 2HG ARG 93 HG1 ARG 93 3.206 -4.638 -13.594 652 1HD ARG 93 HD2 ARG 93 2.644 -3.200 -15.211 653 2HD ARG 93 HD1 ARG 93 1.082 -3.106 -14.399 654 HE ARG 93 HE ARG 93 2.687 -1.251 -13.150 655 1HH1 ARG 93 HH11 ARG 93 1.533 -1.812 -16.395 656 2HH1 ARG 93 HH12 ARG 93 1.545 -0.134 -16.824 657 1HH2 ARG 93 HH21 ARG 93 2.704 0.956 -13.712 658 2HH2 ARG 93 HH22 ARG 93 2.210 1.438 -15.300 659 H ARG 94 HN ARG 94 0.304 -5.760 -9.830 660 HA ARG 94 HA ARG 94 -2.234 -4.473 -9.764 661 1HB ARG 94 HB2 ARG 94 -1.145 -7.105 -9.136 662 2HB ARG 94 HB1 ARG 94 -2.407 -6.616 -8.014 663 1HG ARG 94 HG2 ARG 94 -2.804 -6.419 -10.975 664 2HG ARG 94 HG1 ARG 94 -3.077 -7.930 -10.106 665 1HD ARG 94 HD2 ARG 94 -4.385 -5.970 -8.606 666 2HD ARG 94 HD1 ARG 94 -4.746 -5.583 -10.288 667 HE ARG 94 HE ARG 94 -6.026 -7.480 -10.420 668 1HH1 ARG 94 HH11 ARG 94 -4.075 -7.623 -7.530 669 2HH1 ARG 94 HH12 ARG 94 -4.885 -9.018 -6.902 670 1HH2 ARG 94 HH21 ARG 94 -7.093 -9.315 -9.595 671 2HH2 ARG 94 HH22 ARG 94 -6.598 -9.979 -8.074 672 H ILE 95 HN ILE 95 -0.087 -5.567 -7.134 673 HA ILE 95 HA ILE 95 -1.473 -4.525 -4.989 674 HB ILE 95 HB ILE 95 1.531 -4.652 -5.252 675 1HG1 ILE 95 HG12 ILE 95 -0.478 -6.713 -4.314 676 2HG1 ILE 95 HG11 ILE 95 0.511 -6.806 -5.767 677 1HG2 ILE 95 HG21 ILE 95 -0.324 -4.332 -2.920 678 2HG2 ILE 95 HG22 ILE 95 1.114 -3.399 -3.333 679 3HG2 ILE 95 HG23 ILE 95 1.277 -5.043 -2.718 680 1HD1 ILE 95 HD11 ILE 95 1.109 -7.923 -3.355 681 2HD1 ILE 95 HD12 ILE 95 2.062 -6.440 -3.334 682 3HD1 ILE 95 HD13 ILE 95 2.261 -7.598 -4.650 683 H TYR 96 HN TYR 96 1.010 -2.909 -6.959 684 HA TYR 96 HA TYR 96 1.196 -0.523 -5.564 685 1HB TYR 96 HB2 TYR 96 1.812 -1.443 -8.277 686 2HB TYR 96 HB1 TYR 96 1.448 0.277 -8.189 687 HD1 TYR 96 HD1 TYR 96 2.898 1.794 -6.955 688 HD2 TYR 96 HD2 TYR 96 3.785 -2.359 -7.200 689 HE1 TYR 96 HE1 TYR 96 5.183 2.241 -6.165 690 HE2 TYR 96 HE2 TYR 96 6.072 -1.925 -6.412 691 HH TYR 96 HH TYR 96 7.024 1.102 -5.112 692 H ALA 97 HN ALA 97 -1.081 -1.423 -8.130 693 HA ALA 97 HA ALA 97 -2.414 1.091 -8.180 694 1HB ALA 97 HB1 ALA 97 -2.836 0.033 -10.135 695 2HB ALA 97 HB2 ALA 97 -4.247 -0.545 -9.248 696 3HB ALA 97 HB3 ALA 97 -2.819 -1.570 -9.399 697 H MET 98 HN MET 98 -2.707 -1.761 -6.227 698 HA MET 98 HA MET 98 -5.356 -1.397 -5.320 699 1HB MET 98 HB2 MET 98 -3.004 -2.764 -4.001 700 2HB MET 98 HB1 MET 98 -4.663 -2.873 -3.434 701 1HG MET 98 HG2 MET 98 -4.987 -3.622 -5.999 702 2HG MET 98 HG1 MET 98 -3.346 -4.194 -5.703 703 1HE MET 98 HE1 MET 98 -2.728 -6.187 -4.077 704 2HE MET 98 HE2 MET 98 -3.791 -6.672 -2.756 705 3HE MET 98 HE3 MET 98 -3.169 -5.022 -2.827 706 H ILE 99 HN ILE 99 -2.260 -0.620 -3.727 707 HA ILE 99 HA ILE 99 -3.285 0.664 -1.494 708 HB ILE 99 HB ILE 99 -0.743 1.469 -2.901 709 1HG1 ILE 99 HG12 ILE 99 -0.419 -0.414 -0.719 710 2HG1 ILE 99 HG11 ILE 99 -1.424 -1.093 -1.995 711 1HG2 ILE 99 HG21 ILE 99 -1.704 2.817 -0.940 712 2HG2 ILE 99 HG22 ILE 99 -0.016 2.314 -0.854 713 3HG2 ILE 99 HG23 ILE 99 -1.246 1.433 0.053 714 1HD1 ILE 99 HD11 ILE 99 0.777 0.167 -3.233 715 2HD1 ILE 99 HD12 ILE 99 0.394 -1.552 -3.154 716 3HD1 ILE 99 HD13 ILE 99 1.395 -0.814 -1.904 717 H SER 100 HN SER 100 -2.525 2.004 -4.685 718 HA SER 100 HA SER 100 -2.830 4.697 -4.189 719 1HB SER 100 HB2 SER 100 -3.963 4.444 -6.680 720 2HB SER 100 HB1 SER 100 -2.232 4.527 -6.358 721 HG SER 100 HG SER 100 -3.766 2.413 -7.189 722 H ARG 101 HN ARG 101 -5.380 2.377 -5.066 723 HA ARG 101 HA ARG 101 -7.492 4.251 -4.995 724 1HB ARG 101 HB2 ARG 101 -7.665 1.271 -4.533 725 2HB ARG 101 HB1 ARG 101 -8.972 2.334 -5.036 726 1HG ARG 101 HG2 ARG 101 -8.065 2.626 -7.174 727 2HG ARG 101 HG1 ARG 101 -6.488 2.005 -6.683 728 1HD ARG 101 HD2 ARG 101 -7.118 0.014 -7.443 729 2HD ARG 101 HD1 ARG 101 -8.293 -0.053 -6.131 730 HE ARG 101 HE ARG 101 -8.820 0.460 -8.920 731 1HH1 ARG 101 HH11 ARG 101 -10.017 0.761 -5.654 732 2HH1 ARG 101 HH12 ARG 101 -11.674 0.876 -6.140 733 1HH2 ARG 101 HH21 ARG 101 -11.000 0.613 -9.558 734 2HH2 ARG 101 HH22 ARG 101 -12.233 0.792 -8.355 735 H ASN 102 HN ASN 102 -5.692 2.813 -2.489 736 HA ASN 102 HA ASN 102 -7.832 3.137 -0.526 737 1HB ASN 102 HB2 ASN 102 -5.050 1.981 -0.299 738 2HB ASN 102 HB1 ASN 102 -6.175 2.116 1.050 739 1HD2 ASN 102 HD21 ASN 102 -5.157 -0.313 0.314 740 2HD2 ASN 102 HD22 ASN 102 -6.412 -1.283 -0.369 741 H LEU 103 HN LEU 103 -6.670 5.479 -1.806 742 HA LEU 103 HA LEU 103 -5.621 6.799 0.607 743 1HB LEU 103 HB2 LEU 103 -4.769 7.502 -2.195 744 2HB LEU 103 HB1 LEU 103 -4.099 8.102 -0.690 745 HG LEU 103 HG LEU 103 -3.954 5.180 -1.334 746 1HD1 LEU 103 HD11 LEU 103 -1.924 7.224 -2.208 747 2HD1 LEU 103 HD12 LEU 103 -3.088 6.455 -3.285 748 3HD1 LEU 103 HD13 LEU 103 -1.867 5.481 -2.466 749 1HD2 LEU 103 HD21 LEU 103 -3.326 5.686 0.881 750 2HD2 LEU 103 HD22 LEU 103 -2.405 7.104 0.380 751 3HD2 LEU 103 HD23 LEU 103 -1.816 5.487 -0.008 752 H VAL 104 HN VAL 104 -7.043 8.251 1.286 753 HA VAL 104 HA VAL 104 -9.251 9.143 -0.163 754 HB VAL 104 HB VAL 104 -9.246 11.072 1.587 755 1HG1 VAL 104 HG11 VAL 104 -9.430 8.230 2.568 756 2HG1 VAL 104 HG12 VAL 104 -10.658 9.016 1.575 757 3HG1 VAL 104 HG13 VAL 104 -10.294 9.639 3.185 758 1HG2 VAL 104 HG21 VAL 104 -7.561 11.217 3.033 759 2HG2 VAL 104 HG22 VAL 104 -6.714 9.971 2.123 760 3HG2 VAL 104 HG23 VAL 104 -7.742 9.521 3.478 761 H SER 105 HN SER 105 -6.457 11.176 0.778 762 HA SER 105 HA SER 105 -6.994 12.826 -1.593 763 1HB SER 105 HB2 SER 105 -7.094 13.949 0.651 764 2HB SER 105 HB1 SER 105 -5.380 13.584 0.853 765 HG SER 105 HG SER 105 -4.917 15.192 -0.412 766 H ALA 106 HN ALA 106 -5.559 12.845 -3.206 767 HA ALA 106 HA ALA 106 -2.914 11.643 -2.711 768 1HB ALA 106 HB1 ALA 106 -4.638 11.640 -5.177 769 2HB ALA 106 HB2 ALA 106 -4.102 10.259 -4.220 770 3HB ALA 106 HB3 ALA 106 -2.939 11.165 -5.187 771 H ASN 107 HN ASN 107 -1.252 12.996 -2.787 772 HA ASN 107 HA ASN 107 -1.587 15.616 -4.023 773 1HB ASN 107 HB2 ASN 107 0.466 14.446 -2.154 774 2HB ASN 107 HB1 ASN 107 0.723 15.992 -2.957 775 1HD2 ASN 107 HD21 ASN 107 0.154 15.014 -0.103 776 2HD2 ASN 107 HD22 ASN 107 -1.067 16.104 0.452 777 H VAL 108 HN VAL 108 -1.314 15.468 -6.185 778 HA VAL 108 HA VAL 108 1.251 14.371 -7.124 779 HB VAL 108 HB VAL 108 -0.897 13.035 -7.719 780 1HG1 VAL 108 HG11 VAL 108 -2.065 13.753 -9.704 781 2HG1 VAL 108 HG12 VAL 108 -1.056 15.196 -9.815 782 3HG1 VAL 108 HG13 VAL 108 -2.184 15.009 -8.471 783 1HG2 VAL 108 HG21 VAL 108 1.447 12.823 -8.673 784 2HG2 VAL 108 HG22 VAL 108 0.871 13.797 -10.027 785 3HG2 VAL 108 HG23 VAL 108 0.126 12.236 -9.683 786 H LYS 109 HN LYS 109 2.036 15.316 -9.141 787 HA LYS 109 HA LYS 109 1.420 18.176 -9.240 788 1HB LYS 109 HB2 LYS 109 3.563 18.238 -10.630 789 2HB LYS 109 HB1 LYS 109 3.727 17.853 -8.922 790 1HG LYS 109 HG2 LYS 109 4.376 15.720 -9.319 791 2HG LYS 109 HG1 LYS 109 3.415 15.583 -10.792 792 1HD LYS 109 HD2 LYS 109 5.403 15.747 -11.832 793 2HD LYS 109 HD1 LYS 109 5.223 17.474 -11.519 794 1HE LYS 109 HE2 LYS 109 6.570 17.328 -9.551 795 2HE LYS 109 HE1 LYS 109 6.588 15.567 -9.629 796 1HZ LYS 109 HZ1 LYS 109 8.579 16.999 -10.525 797 2HZ LYS 109 HZ2 LYS 109 7.631 17.052 -11.925 798 3HZ LYS 109 HZ3 LYS 109 8.119 15.562 -11.291 799 H GLU 110 HN GLU 110 0.315 19.026 -10.874 800 HA GLU 110 HA GLU 110 -0.763 19.269 -12.862 801 1HB GLU 110 HB2 GLU 110 1.769 18.773 -13.540 802 2HB GLU 110 HB1 GLU 110 1.035 17.335 -14.236 803 1HG GLU 110 HG2 GLU 110 -0.265 19.915 -14.846 804 2HG GLU 110 HG1 GLU 110 1.317 19.628 -15.568 805 H SER 111 HN SER 111 -2.038 18.100 -14.536 806 HA SER 111 HA SER 111 -3.350 15.841 -13.326 807 1HB SER 111 HB2 SER 111 -4.485 17.747 -14.609 808 2HB SER 111 HB1 SER 111 -3.915 16.949 -16.075 809 HG SER 111 HG SER 111 -5.292 15.346 -15.762 810 H SER 112 HN SER 112 -3.639 13.783 -14.283 811 HA SER 112 HA SER 112 -1.321 12.920 -15.830 812 1HB SER 112 HB2 SER 112 -1.784 11.606 -13.862 813 2HB SER 112 HB1 SER 112 -3.461 11.372 -14.355 814 HG SER 112 HG SER 112 -1.961 9.593 -14.803 815 H GLU 113 HN GLU 113 -1.592 11.426 -17.630 816 HA GLU 113 HA GLU 113 -3.886 12.196 -19.278 817 1HB GLU 113 HB2 GLU 113 -2.563 11.370 -21.171 818 2HB GLU 113 HB1 GLU 113 -1.674 12.571 -20.244 819 1HG GLU 113 HG2 GLU 113 -0.149 11.057 -19.477 820 2HG GLU 113 HG1 GLU 113 -1.275 9.704 -19.582 821 H ASP 114 HN ASP 114 -5.093 10.646 -20.449 822 HA ASP 114 HA ASP 114 -5.260 8.066 -19.079 823 1HB ASP 114 HB2 ASP 114 -7.464 7.867 -20.178 824 2HB ASP 114 HB1 ASP 114 -7.330 9.345 -19.230 825 H ILE 115 HN ILE 115 -5.283 6.097 -20.202 826 HA ILE 115 HA ILE 115 -4.080 6.199 -22.869 827 HB ILE 115 HB ILE 115 -3.933 3.907 -20.909 828 1HG1 ILE 115 HG12 ILE 115 -1.878 6.051 -21.500 829 2HG1 ILE 115 HG11 ILE 115 -2.777 5.873 -19.997 830 1HG2 ILE 115 HG21 ILE 115 -3.598 3.770 -23.548 831 2HG2 ILE 115 HG22 ILE 115 -2.646 2.807 -22.420 832 3HG2 ILE 115 HG23 ILE 115 -1.975 4.290 -23.097 833 1HD1 ILE 115 HD11 ILE 115 -0.901 3.795 -21.092 834 2HD1 ILE 115 HD12 ILE 115 -1.669 3.818 -19.504 835 3HD1 ILE 115 HD13 ILE 115 -0.449 5.024 -19.911 836 H PHE 116 HN PHE 116 -5.726 6.045 -24.204 837 HA PHE 116 HA PHE 116 -7.693 3.891 -23.817 838 1HB PHE 116 HB2 PHE 116 -7.908 6.654 -24.838 839 2HB PHE 116 HB1 PHE 116 -8.815 5.445 -25.742 840 HD1 PHE 116 HD1 PHE 116 -9.227 7.815 -23.378 841 HD2 PHE 116 HD2 PHE 116 -9.926 3.651 -23.911 842 HE1 PHE 116 HE1 PHE 116 -11.016 7.903 -21.690 843 HE2 PHE 116 HE2 PHE 116 -11.717 3.732 -22.225 844 HZ PHE 116 HZ PHE 116 -12.263 5.860 -21.112 845 H GLY 117 HN GLY 117 -5.185 5.082 -25.855 846 1HA GLY 117 HA2 GLY 117 -4.197 3.374 -27.334 847 2HA GLY 117 HA1 GLY 117 -5.836 2.982 -27.830 848 H ASN 118 HN ASN 118 -4.407 6.188 -27.391 849 HA ASN 118 HA ASN 118 -4.751 6.646 -30.282 850 1HB ASN 118 HB2 ASN 118 -5.204 9.060 -29.622 851 2HB ASN 118 HB1 ASN 118 -6.468 7.900 -29.226 852 1HD2 ASN 118 HD21 ASN 118 -7.038 9.734 -27.776 853 2HD2 ASN 118 HD22 ASN 118 -6.336 9.749 -26.198 854 H VAL 119 HN VAL 119 -2.879 6.984 -31.263 855 HA VAL 119 HA VAL 119 -0.734 8.355 -29.774 856 HB VAL 119 HB VAL 119 -0.303 6.293 -31.936 857 1HG1 VAL 119 HG11 VAL 119 1.912 6.638 -31.698 858 2HG1 VAL 119 HG12 VAL 119 1.789 6.926 -29.962 859 3HG1 VAL 119 HG13 VAL 119 1.396 8.215 -31.099 860 1HG2 VAL 119 HG21 VAL 119 0.130 5.851 -28.994 861 2HG2 VAL 119 HG22 VAL 119 0.122 4.661 -30.296 862 3HG2 VAL 119 HG23 VAL 119 -1.384 5.431 -29.797 863 H30 IMY 120 1H30 IMY 120 9.763 -13.816 -2.035 864 1H30 IMY 120 2H30 IMY 120 8.192 -14.025 -2.904 865 2H30 IMY 120 3H30 IMY 120 8.830 -15.311 -1.872 866 H26 IMY 120 H26 IMY 120 8.554 -11.743 -2.710 867 H25 IMY 120 H25 IMY 120 8.346 -9.369 -2.268 868 H31 IMY 120 H31 IMY 120 7.079 -11.668 3.395 869 1H32 IMY 120 1H32 IMY 120 5.009 -9.402 3.737 870 2H32 IMY 120 2H32 IMY 120 5.262 -10.757 4.848 871 3H32 IMY 120 3H32 IMY 120 6.488 -9.486 4.675 872 1H33 IMY 120 1H33 IMY 120 5.770 -12.218 1.414 873 2H33 IMY 120 2H33 IMY 120 4.739 -12.278 2.853 874 3H33 IMY 120 3H33 IMY 120 4.647 -10.905 1.723 875 H28 IMY 120 H28 IMY 120 7.446 -12.659 1.316 876 H4 IMY 120 H4 IMY 120 8.445 -5.658 -0.715 877 H3 IMY 120 H3 IMY 120 7.244 -5.295 1.261 878 H18 IMY 120 H18 IMY 120 4.834 -8.091 0.391 879 H17 IMY 120 H17 IMY 120 2.417 -7.798 0.313 880 H15 IMY 120 H15 IMY 120 2.816 -3.611 0.955 881 H14 IMY 120 H14 IMY 120 5.271 -3.825 1.018 882 H20 IMY 120 H20 IMY 120 7.897 -3.372 -1.457 883 H21 IMY 120 H21 IMY 120 6.882 -2.006 -3.208 884 H23 IMY 120 H23 IMY 120 4.383 -5.304 -4.371 885 H24 IMY 120 H24 IMY 120 5.481 -6.735 -2.732 Start of MODEL 3 1 1H ASN 13 HT1 ASN 13 11.341 17.487 12.507 2 2H ASN 13 HT2 ASN 13 10.338 17.774 11.144 3 3H ASN 13 HT3 ASN 13 10.827 19.081 12.144 4 HA ASN 13 HA ASN 13 12.991 18.989 11.434 5 1HB ASN 13 HB2 ASN 13 12.235 16.210 10.881 6 2HB ASN 13 HB1 ASN 13 13.252 16.916 9.629 7 1HD2 ASN 13 HD21 ASN 13 13.247 17.601 13.086 8 2HD2 ASN 13 HD22 ASN 13 14.860 17.056 13.379 9 H HIS 14 HN HIS 14 13.644 20.046 9.588 10 HA HIS 14 HA HIS 14 11.579 20.369 7.516 11 1HB HIS 14 HB2 HIS 14 13.703 22.254 8.533 12 2HB HIS 14 HB1 HIS 14 12.824 22.542 7.035 13 HD1 HIS 14 HD1 HIS 14 11.346 24.457 7.636 14 HD2 HIS 14 HD2 HIS 14 11.227 21.427 10.476 15 HE1 HIS 14 HE1 HIS 14 9.538 25.122 9.253 16 HE2 HIS 14 HE2 HIS 14 9.543 23.316 11.009 17 H ILE 15 HN ILE 15 12.187 20.441 5.327 18 HA ILE 15 HA ILE 15 14.808 19.212 4.768 19 HB ILE 15 HB ILE 15 12.344 19.004 3.041 20 1HG1 ILE 15 HG12 ILE 15 13.436 16.841 4.839 21 2HG1 ILE 15 HG11 ILE 15 12.159 17.937 5.356 22 1HG2 ILE 15 HG21 ILE 15 13.882 16.881 2.424 23 2HG2 ILE 15 HG22 ILE 15 15.126 18.053 2.860 24 3HG2 ILE 15 HG23 ILE 15 13.967 18.430 1.585 25 1HD1 ILE 15 HD11 ILE 15 10.693 16.554 4.455 26 2HD1 ILE 15 HD12 ILE 15 11.984 15.563 3.775 27 3HD1 ILE 15 HD13 ILE 15 11.357 16.939 2.867 28 H SER 16 HN SER 16 12.327 20.998 2.926 29 HA SER 16 HA SER 16 14.061 23.185 2.358 30 1HB SER 16 HB2 SER 16 13.804 22.559 -0.246 31 2HB SER 16 HB1 SER 16 15.208 22.091 0.713 32 HG SER 16 HG SER 16 13.304 20.534 -0.437 33 H THR 17 HN THR 17 11.643 21.584 0.301 34 HA THR 17 HA THR 17 9.529 23.337 1.101 35 HB THR 17 HB THR 17 10.645 23.721 -1.682 36 HG1 THR 17 HG1 THR 17 10.848 25.339 0.633 37 1HG2 THR 17 HG21 THR 17 8.766 25.621 -0.398 38 2HG2 THR 17 HG22 THR 17 8.119 24.125 -1.071 39 3HG2 THR 17 HG23 THR 17 9.012 25.243 -2.103 40 H SER 18 HN SER 18 10.451 21.750 -1.958 41 HA SER 18 HA SER 18 7.964 20.186 -1.781 42 1HB SER 18 HB2 SER 18 8.366 19.884 -4.303 43 2HB SER 18 HB1 SER 18 7.854 21.479 -3.752 44 HG SER 18 HG SER 18 10.551 20.721 -4.206 45 H ASP 19 HN ASP 19 8.433 18.271 -0.889 46 HA ASP 19 HA ASP 19 10.704 16.762 -2.009 47 1HB ASP 19 HB2 ASP 19 11.102 17.443 0.340 48 2HB ASP 19 HB1 ASP 19 9.634 16.595 0.817 49 H GLN 20 HN GLN 20 7.478 16.550 -0.562 50 HA GLN 20 HA GLN 20 7.158 13.897 -1.794 51 1HB GLN 20 HB2 GLN 20 5.473 15.146 0.381 52 2HB GLN 20 HB1 GLN 20 5.384 13.489 -0.199 53 1HG GLN 20 HG2 GLN 20 7.295 12.855 0.891 54 2HG GLN 20 HG1 GLN 20 7.958 14.488 0.908 55 1HE2 GLN 20 HE21 GLN 20 6.629 12.129 2.769 56 2HE2 GLN 20 HE22 GLN 20 6.073 13.084 4.097 57 H GLU 21 HN GLU 21 4.677 13.495 -2.247 58 HA GLU 21 HA GLU 21 3.712 15.790 -3.825 59 1HB GLU 21 HB2 GLU 21 3.131 12.904 -4.469 60 2HB GLU 21 HB1 GLU 21 2.934 14.311 -5.505 61 1HG GLU 21 HG2 GLU 21 5.240 14.508 -5.866 62 2HG GLU 21 HG1 GLU 21 5.627 13.438 -4.519 63 H LYS 22 HN LYS 22 1.229 14.687 -4.530 64 HA LYS 22 HA LYS 22 -0.423 15.500 -2.490 65 1HB LYS 22 HB2 LYS 22 -2.160 13.957 -3.641 66 2HB LYS 22 HB1 LYS 22 -1.478 15.299 -4.549 67 1HG LYS 22 HG2 LYS 22 -0.027 12.751 -4.779 68 2HG LYS 22 HG1 LYS 22 -1.650 12.776 -5.472 69 1HD LYS 22 HD2 LYS 22 -1.066 14.214 -7.117 70 2HD LYS 22 HD1 LYS 22 0.045 15.111 -6.078 71 1HE LYS 22 HE2 LYS 22 1.424 14.079 -7.667 72 2HE LYS 22 HE1 LYS 22 1.564 13.067 -6.230 73 1HZ LYS 22 HZ1 LYS 22 1.289 11.683 -8.146 74 2HZ LYS 22 HZ2 LYS 22 -0.101 12.520 -8.627 75 3HZ LYS 22 HZ3 LYS 22 -0.122 11.585 -7.217 76 H LEU 23 HN LEU 23 -0.631 14.749 -0.490 77 HA LEU 23 HA LEU 23 0.056 12.013 0.143 78 1HB LEU 23 HB2 LEU 23 -1.123 13.932 2.113 79 2HB LEU 23 HB1 LEU 23 0.027 12.639 2.385 80 HG LEU 23 HG LEU 23 1.144 14.656 0.632 81 1HD1 LEU 23 HD11 LEU 23 -0.220 16.266 1.703 82 2HD1 LEU 23 HD12 LEU 23 1.369 16.374 2.460 83 3HD1 LEU 23 HD13 LEU 23 0.052 15.544 3.290 84 1HD2 LEU 23 HD21 LEU 23 2.202 14.229 3.349 85 2HD2 LEU 23 HD22 LEU 23 3.022 14.185 1.788 86 3HD2 LEU 23 HD23 LEU 23 2.086 12.793 2.332 87 H VAL 24 HN VAL 24 -1.316 10.478 1.068 88 HA VAL 24 HA VAL 24 -4.175 10.957 0.559 89 HB VAL 24 HB VAL 24 -4.175 8.312 0.724 90 1HG1 VAL 24 HG11 VAL 24 -3.658 10.151 -1.543 91 2HG1 VAL 24 HG12 VAL 24 -5.034 9.094 -1.230 92 3HG1 VAL 24 HG13 VAL 24 -3.526 8.419 -1.846 93 1HG2 VAL 24 HG21 VAL 24 -1.868 7.957 1.232 94 2HG2 VAL 24 HG22 VAL 24 -1.356 8.962 -0.124 95 3HG2 VAL 24 HG23 VAL 24 -2.137 7.410 -0.424 96 H GLN 25 HN GLN 25 -5.679 9.729 2.033 97 HA GLN 25 HA GLN 25 -4.572 9.687 4.764 98 1HB GLN 25 HB2 GLN 25 -6.227 11.540 4.117 99 2HB GLN 25 HB1 GLN 25 -7.448 10.275 4.116 100 1HG GLN 25 HG2 GLN 25 -7.679 11.018 6.245 101 2HG GLN 25 HG1 GLN 25 -6.444 9.787 6.504 102 1HE2 GLN 25 HE21 GLN 25 -5.744 10.860 8.372 103 2HE2 GLN 25 HE22 GLN 25 -4.791 12.298 8.286 104 HA PRO 26 HA PRO 26 -5.958 5.378 4.247 105 1HB PRO 26 HB2 PRO 26 -4.303 4.942 6.629 106 2HB PRO 26 HB1 PRO 26 -4.159 4.223 5.025 107 1HG PRO 26 HG2 PRO 26 -2.371 6.009 5.955 108 2HG PRO 26 HG1 PRO 26 -2.813 5.926 4.240 109 1HD PRO 26 HD2 PRO 26 -3.759 7.836 6.351 110 2HD PRO 26 HD1 PRO 26 -3.282 8.162 4.670 111 H THR 27 HN THR 27 -7.833 4.679 5.087 112 HA THR 27 HA THR 27 -9.247 5.853 7.128 113 HB THR 27 HB THR 27 -10.465 3.623 7.288 114 HG1 THR 27 HG1 THR 27 -8.741 2.911 5.160 115 1HG2 THR 27 HG21 THR 27 -11.718 4.437 5.666 116 2HG2 THR 27 HG22 THR 27 -10.568 3.834 4.473 117 3HG2 THR 27 HG23 THR 27 -10.383 5.459 5.132 118 HA PRO 28 HA PRO 28 -7.708 4.878 11.128 119 1HB PRO 28 HB2 PRO 28 -9.870 3.294 12.084 120 2HB PRO 28 HB1 PRO 28 -9.593 5.013 12.365 121 1HG PRO 28 HG2 PRO 28 -11.350 3.679 10.384 122 2HG PRO 28 HG1 PRO 28 -11.529 5.258 11.168 123 1HD PRO 28 HD2 PRO 28 -10.804 5.043 8.594 124 2HD PRO 28 HD1 PRO 28 -10.130 6.310 9.643 125 H LEU 29 HN LEU 29 -9.163 2.210 9.323 126 HA LEU 29 HA LEU 29 -7.851 0.146 10.787 127 1HB LEU 29 HB2 LEU 29 -9.914 -0.214 9.474 128 2HB LEU 29 HB1 LEU 29 -9.013 0.080 8.000 129 HG LEU 29 HG LEU 29 -7.738 -1.926 8.280 130 1HD1 LEU 29 HD11 LEU 29 -7.195 -2.349 10.426 131 2HD1 LEU 29 HD12 LEU 29 -8.629 -3.373 10.364 132 3HD1 LEU 29 HD13 LEU 29 -8.733 -1.751 11.048 133 1HD2 LEU 29 HD21 LEU 29 -10.228 -1.970 7.530 134 2HD2 LEU 29 HD22 LEU 29 -10.482 -2.815 9.057 135 3HD2 LEU 29 HD23 LEU 29 -9.384 -3.486 7.850 136 H LEU 30 HN LEU 30 -7.338 1.329 7.455 137 HA LEU 30 HA LEU 30 -4.953 -0.012 6.966 138 1HB LEU 30 HB2 LEU 30 -6.381 1.265 5.315 139 2HB LEU 30 HB1 LEU 30 -5.639 2.732 5.920 140 HG LEU 30 HG LEU 30 -3.521 2.156 5.046 141 1HD1 LEU 30 HD11 LEU 30 -4.608 -0.587 5.081 142 2HD1 LEU 30 HD12 LEU 30 -2.980 -0.003 5.424 143 3HD1 LEU 30 HD13 LEU 30 -3.515 -0.193 3.754 144 1HD2 LEU 30 HD21 LEU 30 -3.965 2.387 2.839 145 2HD2 LEU 30 HD22 LEU 30 -5.608 2.615 3.436 146 3HD2 LEU 30 HD23 LEU 30 -5.106 1.042 2.813 147 H LEU 31 HN LEU 31 -5.567 3.052 8.559 148 HA LEU 31 HA LEU 31 -3.076 4.176 8.734 149 1HB LEU 31 HB2 LEU 31 -5.561 4.335 10.196 150 2HB LEU 31 HB1 LEU 31 -4.198 4.511 11.284 151 HG LEU 31 HG LEU 31 -4.752 6.200 8.846 152 1HD1 LEU 31 HD11 LEU 31 -5.308 6.487 11.736 153 2HD1 LEU 31 HD12 LEU 31 -6.189 7.109 10.340 154 3HD1 LEU 31 HD13 LEU 31 -4.720 7.917 10.887 155 1HD2 LEU 31 HD21 LEU 31 -2.688 7.035 8.965 156 2HD2 LEU 31 HD22 LEU 31 -2.291 5.625 9.947 157 3HD2 LEU 31 HD23 LEU 31 -2.743 7.142 10.724 158 H SER 32 HN SER 32 -4.441 2.196 11.372 159 HA SER 32 HA SER 32 -2.204 1.867 12.902 160 1HB SER 32 HB2 SER 32 -4.714 0.867 13.017 161 2HB SER 32 HB1 SER 32 -3.830 -0.593 12.576 162 HG SER 32 HG SER 32 -4.088 0.135 14.937 163 H LEU 33 HN LEU 33 -3.093 -0.074 10.047 164 HA LEU 33 HA LEU 33 -1.105 -2.006 10.207 165 1HB LEU 33 HB2 LEU 33 -1.682 -0.835 7.532 166 2HB LEU 33 HB1 LEU 33 -1.519 -2.509 7.997 167 HG LEU 33 HG LEU 33 -3.917 -0.736 8.419 168 1HD1 LEU 33 HD11 LEU 33 -5.003 -2.052 6.860 169 2HD1 LEU 33 HD12 LEU 33 -3.862 -3.385 7.037 170 3HD1 LEU 33 HD13 LEU 33 -3.380 -1.920 6.182 171 1HD2 LEU 33 HD21 LEU 33 -3.913 -1.968 10.386 172 2HD2 LEU 33 HD22 LEU 33 -3.207 -3.388 9.613 173 3HD2 LEU 33 HD23 LEU 33 -4.890 -2.962 9.305 174 H LEU 34 HN LEU 34 -0.942 1.327 9.170 175 HA LEU 34 HA LEU 34 1.775 1.173 8.234 176 1HB LEU 34 HB2 LEU 34 0.331 3.693 9.037 177 2HB LEU 34 HB1 LEU 34 1.631 3.516 7.879 178 HG LEU 34 HG LEU 34 -1.172 2.475 7.484 179 1HD1 LEU 34 HD11 LEU 34 0.215 4.888 6.330 180 2HD1 LEU 34 HD12 LEU 34 -1.137 4.897 7.462 181 3HD1 LEU 34 HD13 LEU 34 -1.361 4.276 5.827 182 1HD2 LEU 34 HD21 LEU 34 1.300 2.455 5.784 183 2HD2 LEU 34 HD22 LEU 34 -0.316 2.307 5.094 184 3HD2 LEU 34 HD23 LEU 34 0.267 1.100 6.240 185 H LYS 35 HN LYS 35 0.077 2.061 11.161 186 HA LYS 35 HA LYS 35 2.113 3.270 12.615 187 1HB LYS 35 HB2 LYS 35 -0.345 1.729 13.324 188 2HB LYS 35 HB1 LYS 35 0.802 2.088 14.599 189 1HG LYS 35 HG2 LYS 35 -1.074 3.713 14.373 190 2HG LYS 35 HG1 LYS 35 0.535 4.424 14.296 191 1HD LYS 35 HD2 LYS 35 0.372 4.410 11.821 192 2HD LYS 35 HD1 LYS 35 -1.285 3.820 11.971 193 1HE LYS 35 HE2 LYS 35 -0.292 6.390 13.192 194 2HE LYS 35 HE1 LYS 35 -1.078 6.289 11.617 195 1HZ LYS 35 HZ1 LYS 35 -2.779 6.824 13.091 196 2HZ LYS 35 HZ2 LYS 35 -2.234 5.756 14.283 197 3HZ LYS 35 HZ3 LYS 35 -2.959 5.155 12.878 198 H SER 36 HN SER 36 1.482 -0.110 11.964 199 HA SER 36 HA SER 36 3.644 -0.943 13.741 200 1HB SER 36 HB2 SER 36 1.217 -2.125 12.966 201 2HB SER 36 HB1 SER 36 2.475 -3.096 12.201 202 HG SER 36 HG SER 36 1.720 -3.085 14.750 203 H ALA 37 HN ALA 37 3.017 -0.333 10.411 204 HA ALA 37 HA ALA 37 5.201 -1.951 9.429 205 1HB ALA 37 HB1 ALA 37 3.366 0.025 8.087 206 2HB ALA 37 HB2 ALA 37 3.336 -1.734 7.974 207 3HB ALA 37 HB3 ALA 37 4.661 -0.827 7.247 208 H GLY 38 HN GLY 38 5.199 0.813 11.159 209 1HA GLY 38 HA2 GLY 38 7.265 1.951 11.592 210 2HA GLY 38 HA1 GLY 38 7.714 1.696 9.912 211 H ALA 39 HN ALA 39 4.587 2.831 11.017 212 HA ALA 39 HA ALA 39 5.139 5.409 9.711 213 1HB ALA 39 HB1 ALA 39 2.334 4.539 10.065 214 2HB ALA 39 HB2 ALA 39 3.306 3.637 8.902 215 3HB ALA 39 HB3 ALA 39 3.104 5.375 8.718 216 H GLN 40 HN GLN 40 4.353 7.348 10.756 217 HA GLN 40 HA GLN 40 3.507 6.940 13.547 218 1HB GLN 40 HB2 GLN 40 5.866 8.044 12.790 219 2HB GLN 40 HB1 GLN 40 4.853 9.479 12.866 220 1HG GLN 40 HG2 GLN 40 6.048 9.047 14.963 221 2HG GLN 40 HG1 GLN 40 4.296 9.023 15.162 222 1HE2 GLN 40 HE21 GLN 40 7.215 7.166 15.210 223 2HE2 GLN 40 HE22 GLN 40 6.540 5.730 15.892 224 H LYS 41 HN LYS 41 3.637 9.650 11.222 225 HA LYS 41 HA LYS 41 1.495 11.077 12.216 226 1HB LYS 41 HB2 LYS 41 1.345 12.140 10.002 227 2HB LYS 41 HB1 LYS 41 3.007 12.003 10.554 228 1HG LYS 41 HG2 LYS 41 1.930 9.842 8.829 229 2HG LYS 41 HG1 LYS 41 2.301 11.400 8.089 230 1HD LYS 41 HD2 LYS 41 4.538 11.057 9.520 231 2HD LYS 41 HD1 LYS 41 4.110 9.366 9.250 232 1HE LYS 41 HE2 LYS 41 3.746 10.347 6.770 233 2HE LYS 41 HE1 LYS 41 5.014 11.429 7.342 234 1HZ LYS 41 HZ1 LYS 41 6.251 9.361 8.005 235 2HZ LYS 41 HZ2 LYS 41 6.089 9.610 6.340 236 3HZ LYS 41 HZ3 LYS 41 5.108 8.477 7.124 237 H GLU 42 HN GLU 42 -0.538 11.522 10.725 238 HA GLU 42 HA GLU 42 -1.959 8.973 10.614 239 1HB GLU 42 HB2 GLU 42 -3.997 10.357 10.541 240 2HB GLU 42 HB1 GLU 42 -2.990 10.732 11.933 241 1HG GLU 42 HG2 GLU 42 -2.473 12.371 9.556 242 2HG GLU 42 HG1 GLU 42 -4.072 12.570 10.272 243 H THR 43 HN THR 43 -0.796 11.510 8.542 244 HA THR 43 HA THR 43 -2.222 10.318 6.261 245 HB THR 43 HB THR 43 -0.737 12.798 5.767 246 HG1 THR 43 HG1 THR 43 -2.238 14.085 6.907 247 1HG2 THR 43 HG21 THR 43 -2.178 12.467 4.067 248 2HG2 THR 43 HG22 THR 43 -3.240 13.398 5.123 249 3HG2 THR 43 HG23 THR 43 -3.362 11.639 5.079 250 H PHE 44 HN PHE 44 -1.063 9.957 4.288 251 HA PHE 44 HA PHE 44 1.825 10.030 4.327 252 1HB PHE 44 HB2 PHE 44 0.395 7.372 4.129 253 2HB PHE 44 HB1 PHE 44 2.127 7.631 3.973 254 HD1 PHE 44 HD1 PHE 44 -0.709 7.598 6.300 255 HD2 PHE 44 HD2 PHE 44 3.515 7.911 5.889 256 HE1 PHE 44 HE1 PHE 44 -0.451 7.239 8.721 257 HE2 PHE 44 HE2 PHE 44 3.776 7.561 8.311 258 HZ PHE 44 HZ PHE 44 1.794 7.227 9.729 259 H THR 45 HN THR 45 2.735 9.860 2.285 260 HA THR 45 HA THR 45 0.941 10.345 0.089 261 HB THR 45 HB THR 45 3.095 10.440 -1.240 262 HG1 THR 45 HG1 THR 45 4.590 9.342 -0.194 263 1HG2 THR 45 HG21 THR 45 3.672 12.252 0.976 264 2HG2 THR 45 HG22 THR 45 2.021 12.346 0.363 265 3HG2 THR 45 HG23 THR 45 3.383 12.590 -0.731 266 H MET 46 HN MET 46 0.817 9.079 -1.836 267 HA MET 46 HA MET 46 0.312 6.427 -1.529 268 1HB MET 46 HB2 MET 46 0.247 8.189 -3.632 269 2HB MET 46 HB1 MET 46 1.443 7.012 -4.165 270 1HG MET 46 HG2 MET 46 -0.426 6.006 -4.950 271 2HG MET 46 HG1 MET 46 -0.388 5.315 -3.328 272 1HE MET 46 HE1 MET 46 -1.909 5.323 -1.791 273 2HE MET 46 HE2 MET 46 -3.235 4.892 -2.874 274 3HE MET 46 HE3 MET 46 -3.444 6.191 -1.698 275 H LYS 47 HN LYS 47 3.431 7.911 -1.994 276 HA LYS 47 HA LYS 47 4.817 5.512 -2.679 277 1HB LYS 47 HB2 LYS 47 5.457 8.158 -2.759 278 2HB LYS 47 HB1 LYS 47 6.343 7.648 -1.330 279 1HG LYS 47 HG2 LYS 47 7.787 7.496 -3.229 280 2HG LYS 47 HG1 LYS 47 7.405 5.864 -2.679 281 1HD LYS 47 HD2 LYS 47 7.251 5.841 -5.048 282 2HD LYS 47 HD1 LYS 47 5.597 5.817 -4.435 283 1HE LYS 47 HE2 LYS 47 5.720 8.388 -4.684 284 2HE LYS 47 HE1 LYS 47 7.102 8.061 -5.729 285 1HZ LYS 47 HZ1 LYS 47 4.276 7.597 -6.193 286 2HZ LYS 47 HZ2 LYS 47 5.308 6.367 -6.726 287 3HZ LYS 47 HZ3 LYS 47 5.512 7.947 -7.294 288 H GLU 48 HN GLU 48 4.441 7.360 0.337 289 HA GLU 48 HA GLU 48 5.934 5.532 1.923 290 1HB GLU 48 HB2 GLU 48 3.803 7.384 2.966 291 2HB GLU 48 HB1 GLU 48 5.235 6.800 3.798 292 1HG GLU 48 HG2 GLU 48 6.047 8.192 1.450 293 2HG GLU 48 HG1 GLU 48 4.905 9.193 2.346 294 H VAL 49 HN VAL 49 2.451 6.050 1.442 295 HA VAL 49 HA VAL 49 1.466 4.133 3.189 296 HB VAL 49 HB VAL 49 0.272 4.705 0.476 297 1HG1 VAL 49 HG11 VAL 49 -0.647 2.839 1.910 298 2HG1 VAL 49 HG12 VAL 49 -1.800 4.085 1.432 299 3HG1 VAL 49 HG13 VAL 49 -1.130 4.083 3.063 300 1HG2 VAL 49 HG21 VAL 49 -0.825 6.265 2.653 301 2HG2 VAL 49 HG22 VAL 49 -0.255 6.786 1.067 302 3HG2 VAL 49 HG23 VAL 49 0.885 6.612 2.401 303 H LEU 50 HN LEU 50 1.838 3.700 -0.328 304 HA LEU 50 HA LEU 50 1.453 0.951 -0.387 305 1HB LEU 50 HB2 LEU 50 1.858 2.860 -2.251 306 2HB LEU 50 HB1 LEU 50 3.419 2.062 -2.299 307 HG LEU 50 HG LEU 50 0.753 0.707 -2.713 308 1HD1 LEU 50 HD11 LEU 50 2.739 0.846 -4.881 309 2HD1 LEU 50 HD12 LEU 50 1.940 2.364 -4.471 310 3HD1 LEU 50 HD13 LEU 50 0.980 0.961 -4.939 311 1HD2 LEU 50 HD21 LEU 50 2.157 -1.189 -3.477 312 2HD2 LEU 50 HD22 LEU 50 2.334 -0.829 -1.760 313 3HD2 LEU 50 HD23 LEU 50 3.579 -0.321 -2.901 314 H TYR 51 HN TYR 51 4.225 2.781 0.591 315 HA TYR 51 HA TYR 51 6.138 0.680 0.300 316 1HB TYR 51 HB2 TYR 51 6.849 3.013 0.326 317 2HB TYR 51 HB1 TYR 51 6.240 3.204 1.965 318 HD1 TYR 51 HD1 TYR 51 8.934 1.883 -0.110 319 HD2 TYR 51 HD2 TYR 51 7.426 2.194 3.856 320 HE1 TYR 51 HE1 TYR 51 11.124 1.194 0.770 321 HE2 TYR 51 HE2 TYR 51 9.612 1.507 4.747 322 HH TYR 51 HH TYR 51 11.995 1.529 4.003 323 H HIS 52 HN HIS 52 4.619 2.125 3.214 324 HA HIS 52 HA HIS 52 5.649 0.338 5.064 325 1HB HIS 52 HB2 HIS 52 2.823 1.309 5.350 326 2HB HIS 52 HB1 HIS 52 4.048 1.089 6.587 327 HD1 HIS 52 HD1 HIS 52 6.286 2.817 5.879 328 HD2 HIS 52 HD2 HIS 52 2.370 3.956 5.083 329 HE1 HIS 52 HE1 HIS 52 6.339 5.324 5.693 330 HE2 HIS 52 HE2 HIS 52 3.946 5.996 5.286 331 H LEU 53 HN LEU 53 2.682 0.055 3.122 332 HA LEU 53 HA LEU 53 1.588 -2.220 4.123 333 1HB LEU 53 HB2 LEU 53 1.366 -0.671 1.783 334 2HB LEU 53 HB1 LEU 53 1.539 -2.336 1.256 335 HG LEU 53 HG LEU 53 -0.361 -3.003 2.534 336 1HD1 LEU 53 HD11 LEU 53 -1.645 -0.839 3.526 337 2HD1 LEU 53 HD12 LEU 53 0.038 -0.431 3.857 338 3HD1 LEU 53 HD13 LEU 53 -0.642 -1.939 4.474 339 1HD2 LEU 53 HD21 LEU 53 -0.894 -2.175 0.357 340 2HD2 LEU 53 HD22 LEU 53 -0.860 -0.508 0.933 341 3HD2 LEU 53 HD23 LEU 53 -2.132 -1.603 1.475 342 H GLY 54 HN GLY 54 4.200 -2.005 1.711 343 1HA GLY 54 HA2 GLY 54 4.530 -4.742 1.244 344 2HA GLY 54 HA1 GLY 54 5.807 -3.539 1.104 345 H GLN 55 HN GLN 55 5.667 -2.693 3.846 346 HA GLN 55 HA GLN 55 7.278 -4.792 5.022 347 1HB GLN 55 HB2 GLN 55 6.525 -2.054 6.062 348 2HB GLN 55 HB1 GLN 55 7.675 -3.144 6.824 349 1HG GLN 55 HG2 GLN 55 9.060 -3.039 4.774 350 2HG GLN 55 HG1 GLN 55 7.940 -1.842 4.125 351 1HE2 GLN 55 HE21 GLN 55 7.500 -0.019 5.800 352 2HE2 GLN 55 HE22 GLN 55 8.917 0.671 6.508 353 H TYR 56 HN TYR 56 4.104 -3.409 5.363 354 HA TYR 56 HA TYR 56 3.423 -4.370 7.910 355 1HB TYR 56 HB2 TYR 56 2.031 -2.710 6.876 356 2HB TYR 56 HB1 TYR 56 1.747 -3.736 5.476 357 HD1 TYR 56 HD1 TYR 56 1.052 -3.432 9.110 358 HD2 TYR 56 HD2 TYR 56 -0.080 -5.199 5.414 359 HE1 TYR 56 HE1 TYR 56 -0.974 -4.330 10.173 360 HE2 TYR 56 HE2 TYR 56 -2.119 -6.095 6.459 361 HH TYR 56 HH TYR 56 -2.729 -6.719 9.063 362 H ILE 57 HN ILE 57 3.321 -5.858 4.726 363 HA ILE 57 HA ILE 57 1.939 -8.211 5.610 364 HB ILE 57 HB ILE 57 3.528 -7.801 3.076 365 1HG1 ILE 57 HG12 ILE 57 0.565 -7.432 3.568 366 2HG1 ILE 57 HG11 ILE 57 1.728 -6.124 3.374 367 1HG2 ILE 57 HG21 ILE 57 1.250 -9.603 2.981 368 2HG2 ILE 57 HG22 ILE 57 2.488 -10.133 4.119 369 3HG2 ILE 57 HG23 ILE 57 2.908 -9.844 2.431 370 1HD1 ILE 57 HD11 ILE 57 0.333 -6.732 1.356 371 2HD1 ILE 57 HD12 ILE 57 1.296 -8.207 1.261 372 3HD1 ILE 57 HD13 ILE 57 2.076 -6.632 1.112 373 H MET 58 HN MET 58 5.276 -7.650 4.459 374 HA MET 58 HA MET 58 6.254 -10.190 5.071 375 1HB MET 58 HB2 MET 58 8.465 -9.242 4.867 376 2HB MET 58 HB1 MET 58 7.419 -8.533 3.644 377 1HG MET 58 HG2 MET 58 7.913 -6.508 4.359 378 2HG MET 58 HG1 MET 58 7.306 -6.903 5.966 379 1HE MET 58 HE1 MET 58 9.372 -4.940 6.773 380 2HE MET 58 HE2 MET 58 10.310 -5.985 7.840 381 3HE MET 58 HE3 MET 58 8.561 -6.181 7.728 382 H ALA 59 HN ALA 59 5.735 -7.406 7.112 383 HA ALA 59 HA ALA 59 7.330 -8.357 9.295 384 1HB ALA 59 HB1 ALA 59 5.267 -6.185 9.047 385 2HB ALA 59 HB2 ALA 59 7.015 -6.024 9.210 386 3HB ALA 59 HB3 ALA 59 6.049 -6.578 10.577 387 H LYS 60 HN LYS 60 3.793 -7.998 8.892 388 HA LYS 60 HA LYS 60 3.128 -9.509 11.175 389 1HB LYS 60 HB2 LYS 60 1.704 -8.414 8.821 390 2HB LYS 60 HB1 LYS 60 0.923 -9.757 9.639 391 1HG LYS 60 HG2 LYS 60 0.225 -7.476 10.378 392 2HG LYS 60 HG1 LYS 60 0.756 -8.556 11.665 393 1HD LYS 60 HD2 LYS 60 1.949 -6.739 12.289 394 2HD LYS 60 HD1 LYS 60 3.087 -7.335 11.082 395 1HE LYS 60 HE2 LYS 60 1.719 -5.892 9.432 396 2HE LYS 60 HE1 LYS 60 1.113 -5.093 10.881 397 1HZ LYS 60 HZ1 LYS 60 3.649 -4.948 11.427 398 2HZ LYS 60 HZ2 LYS 60 2.922 -3.812 10.405 399 3HZ LYS 60 HZ3 LYS 60 3.816 -5.088 9.749 400 H GLN 61 HN GLN 61 4.121 -10.407 8.007 401 HA GLN 61 HA GLN 61 4.612 -12.430 7.091 402 1HB GLN 61 HB2 GLN 61 5.189 -12.981 9.536 403 2HB GLN 61 HB1 GLN 61 3.629 -13.792 9.588 404 1HG GLN 61 HG2 GLN 61 4.399 -15.566 8.492 405 2HG GLN 61 HG1 GLN 61 5.213 -14.572 7.284 406 1HE2 GLN 61 HE21 GLN 61 7.011 -13.187 8.758 407 2HE2 GLN 61 HE22 GLN 61 8.151 -14.263 9.483 408 H LEU 62 HN LEU 62 2.493 -11.475 6.065 409 HA LEU 62 HA LEU 62 0.270 -13.355 6.387 410 1HB LEU 62 HB2 LEU 62 0.295 -10.858 4.707 411 2HB LEU 62 HB1 LEU 62 -1.098 -11.764 5.266 412 HG LEU 62 HG LEU 62 0.743 -10.058 6.936 413 1HD1 LEU 62 HD11 LEU 62 -0.802 -8.697 5.782 414 2HD1 LEU 62 HD12 LEU 62 -1.447 -8.894 7.412 415 3HD1 LEU 62 HD13 LEU 62 -2.127 -9.823 6.076 416 1HD2 LEU 62 HD21 LEU 62 -0.823 -12.333 7.702 417 2HD2 LEU 62 HD22 LEU 62 -1.490 -10.874 8.432 418 3HD2 LEU 62 HD23 LEU 62 0.200 -11.298 8.695 419 H TYR 63 HN TYR 63 2.982 -13.006 4.496 420 HA TYR 63 HA TYR 63 1.846 -13.786 1.971 421 1HB TYR 63 HB2 TYR 63 4.183 -13.961 1.225 422 2HB TYR 63 HB1 TYR 63 3.883 -12.431 2.042 423 HD1 TYR 63 HD1 TYR 63 5.299 -15.828 2.560 424 HD2 TYR 63 HD2 TYR 63 5.187 -11.785 3.880 425 HE1 TYR 63 HE1 TYR 63 7.171 -16.281 4.089 426 HE2 TYR 63 HE2 TYR 63 7.056 -12.227 5.415 427 HH TYR 63 HH TYR 63 8.885 -13.791 5.685 428 H ASP 64 HN ASP 64 2.480 -15.785 0.857 429 HA ASP 64 HA ASP 64 2.208 -18.053 2.651 430 1HB ASP 64 HB2 ASP 64 0.787 -17.897 0.641 431 2HB ASP 64 HB1 ASP 64 2.225 -17.952 -0.373 432 H GLU 65 HN GLU 65 3.653 -19.732 2.856 433 HA GLU 65 HA GLU 65 6.391 -19.132 2.594 434 1HB GLU 65 HB2 GLU 65 4.813 -21.555 3.331 435 2HB GLU 65 HB1 GLU 65 6.518 -21.758 2.952 436 1HG GLU 65 HG2 GLU 65 6.691 -19.700 4.653 437 2HG GLU 65 HG1 GLU 65 5.225 -20.465 5.266 438 H LYS 66 HN LYS 66 4.354 -21.443 0.794 439 HA LYS 66 HA LYS 66 6.264 -22.367 -0.990 440 1HB LYS 66 HB2 LYS 66 3.340 -21.871 -1.589 441 2HB LYS 66 HB1 LYS 66 4.408 -22.965 -2.458 442 1HG LYS 66 HG2 LYS 66 3.488 -24.512 -1.122 443 2HG LYS 66 HG1 LYS 66 4.672 -23.924 0.048 444 1HD LYS 66 HD2 LYS 66 3.104 -22.897 1.319 445 2HD LYS 66 HD1 LYS 66 2.118 -22.447 -0.074 446 1HE LYS 66 HE2 LYS 66 1.187 -24.636 -0.218 447 2HE LYS 66 HE1 LYS 66 2.332 -25.264 0.967 448 1HZ LYS 66 HZ1 LYS 66 0.275 -23.205 1.555 449 2HZ LYS 66 HZ2 LYS 66 1.294 -23.965 2.671 450 3HZ LYS 66 HZ3 LYS 66 0.094 -24.856 1.880 451 H GLN 67 HN GLN 67 3.838 -19.849 -1.705 452 HA GLN 67 HA GLN 67 5.672 -18.749 -3.713 453 1HB GLN 67 HB2 GLN 67 2.699 -18.388 -3.308 454 2HB GLN 67 HB1 GLN 67 3.639 -17.507 -4.500 455 1HG GLN 67 HG2 GLN 67 2.934 -20.407 -4.428 456 2HG GLN 67 HG1 GLN 67 2.677 -19.230 -5.712 457 1HE2 GLN 67 HE21 GLN 67 4.047 -19.247 -7.347 458 2HE2 GLN 67 HE22 GLN 67 5.604 -19.996 -7.358 459 H GLN 68 HN GLN 68 6.746 -16.942 -3.245 460 HA GLN 68 HA GLN 68 6.170 -15.515 -0.808 461 1HB GLN 68 HB2 GLN 68 8.355 -15.519 -2.821 462 2HB GLN 68 HB1 GLN 68 8.133 -14.052 -1.877 463 1HG GLN 68 HG2 GLN 68 9.615 -15.149 -0.550 464 2HG GLN 68 HG1 GLN 68 8.103 -15.746 0.133 465 1HE2 GLN 68 HE21 GLN 68 8.293 -17.801 0.636 466 2HE2 GLN 68 HE22 GLN 68 9.075 -19.017 -0.309 467 H HIS 69 HN HIS 69 4.757 -15.359 -3.742 468 HA HIS 69 HA HIS 69 4.394 -12.443 -3.608 469 1HB HIS 69 HB2 HIS 69 4.021 -12.388 -5.934 470 2HB HIS 69 HB1 HIS 69 5.378 -13.487 -5.728 471 HD1 HIS 69 HD1 HIS 69 4.625 -16.136 -5.712 472 HD2 HIS 69 HD2 HIS 69 2.017 -13.406 -7.447 473 HE1 HIS 69 HE1 HIS 69 3.096 -17.501 -7.170 474 HE2 HIS 69 HE2 HIS 69 1.473 -15.837 -8.143 475 H ILE 70 HN ILE 70 2.963 -14.913 -2.322 476 HA ILE 70 HA ILE 70 0.236 -14.110 -3.098 477 HB ILE 70 HB ILE 70 1.029 -16.713 -1.797 478 1HG1 ILE 70 HG12 ILE 70 1.965 -16.550 -4.065 479 2HG1 ILE 70 HG11 ILE 70 0.677 -17.745 -3.980 480 1HG2 ILE 70 HG21 ILE 70 -1.508 -15.420 -2.421 481 2HG2 ILE 70 HG22 ILE 70 -1.156 -16.765 -1.336 482 3HG2 ILE 70 HG23 ILE 70 -1.385 -17.059 -3.060 483 1HD1 ILE 70 HD11 ILE 70 -0.855 -15.920 -4.854 484 2HD1 ILE 70 HD12 ILE 70 0.321 -16.602 -5.978 485 3HD1 ILE 70 HD13 ILE 70 0.620 -15.031 -5.234 486 H VAL 71 HN VAL 71 -1.157 -13.449 -1.571 487 HA VAL 71 HA VAL 71 -0.262 -13.506 1.235 488 HB VAL 71 HB VAL 71 -1.736 -11.197 -0.031 489 1HG1 VAL 71 HG11 VAL 71 -1.900 -11.754 2.490 490 2HG1 VAL 71 HG12 VAL 71 -1.546 -10.097 2.002 491 3HG1 VAL 71 HG13 VAL 71 -0.246 -11.148 2.564 492 1HG2 VAL 71 HG21 VAL 71 0.649 -10.143 0.586 493 2HG2 VAL 71 HG22 VAL 71 0.279 -10.817 -1.001 494 3HG2 VAL 71 HG23 VAL 71 1.157 -11.784 0.185 495 H HIS 72 HN HIS 72 -1.609 -14.998 2.104 496 HA HIS 72 HA HIS 72 -4.496 -14.544 1.736 497 1HB HIS 72 HB2 HIS 72 -4.880 -16.947 1.865 498 2HB HIS 72 HB1 HIS 72 -3.784 -16.576 0.539 499 HD1 HIS 72 HD1 HIS 72 -1.227 -17.170 0.949 500 HD2 HIS 72 HD2 HIS 72 -3.891 -18.660 3.767 501 HE1 HIS 72 HE1 HIS 72 0.039 -18.950 2.195 502 HE2 HIS 72 HE2 HIS 72 -1.562 -19.769 3.959 503 H CYS 73 HN CYS 73 -4.942 -13.489 3.591 504 HA CYS 73 HA CYS 73 -4.476 -14.961 6.093 505 1HB CYS 73 HB2 CYS 73 -3.090 -12.722 5.560 506 2HB CYS 73 HB1 CYS 73 -4.548 -11.994 6.227 507 HG CYS 73 HG CYS 73 -2.473 -13.621 7.800 508 H SER 74 HN SER 74 -6.500 -15.702 6.487 509 HA SER 74 HA SER 74 -8.845 -14.267 5.807 510 1HB SER 74 HB2 SER 74 -9.794 -16.025 7.606 511 2HB SER 74 HB1 SER 74 -9.385 -16.485 5.954 512 HG SER 74 HG SER 74 -7.730 -17.589 6.665 513 H ASN 75 HN ASN 75 -7.228 -14.757 8.953 514 HA ASN 75 HA ASN 75 -9.014 -12.650 9.964 515 1HB ASN 75 HB2 ASN 75 -7.337 -14.730 11.371 516 2HB ASN 75 HB1 ASN 75 -8.048 -13.362 12.222 517 1HD2 ASN 75 HD21 ASN 75 -8.621 -16.035 12.797 518 2HD2 ASN 75 HD22 ASN 75 -10.283 -16.328 12.429 519 H ASP 76 HN ASP 76 -8.021 -10.902 9.087 520 HA ASP 76 HA ASP 76 -5.775 -9.892 10.558 521 1HB ASP 76 HB2 ASP 76 -5.182 -11.286 8.190 522 2HB ASP 76 HB1 ASP 76 -5.019 -9.579 7.789 523 HA PRO 77 HA PRO 77 -8.011 -6.108 9.971 524 1HB PRO 77 HB2 PRO 77 -5.323 -4.876 9.667 525 2HB PRO 77 HB1 PRO 77 -6.642 -4.450 10.756 526 1HG PRO 77 HG2 PRO 77 -4.413 -5.768 11.563 527 2HG PRO 77 HG1 PRO 77 -5.988 -5.928 12.352 528 1HD PRO 77 HD2 PRO 77 -4.527 -7.857 10.694 529 2HD PRO 77 HD1 PRO 77 -5.861 -8.120 11.830 530 H LEU 78 HN LEU 78 -5.326 -7.032 7.888 531 HA LEU 78 HA LEU 78 -5.786 -5.223 5.785 532 1HB LEU 78 HB2 LEU 78 -3.846 -6.960 6.257 533 2HB LEU 78 HB1 LEU 78 -4.817 -7.993 5.228 534 HG LEU 78 HG LEU 78 -4.712 -6.220 3.462 535 1HD1 LEU 78 HD11 LEU 78 -3.564 -4.288 3.701 536 2HD1 LEU 78 HD12 LEU 78 -2.371 -5.000 4.787 537 3HD1 LEU 78 HD13 LEU 78 -3.958 -4.538 5.402 538 1HD2 LEU 78 HD21 LEU 78 -2.397 -6.723 2.815 539 2HD2 LEU 78 HD22 LEU 78 -3.256 -8.158 3.375 540 3HD2 LEU 78 HD23 LEU 78 -2.093 -7.358 4.432 541 H GLY 79 HN GLY 79 -6.801 -8.626 6.152 542 1HA GLY 79 HA2 GLY 79 -8.446 -8.694 3.862 543 2HA GLY 79 HA1 GLY 79 -8.578 -9.773 5.247 544 H GLU 80 HN GLU 80 -8.952 -7.560 7.113 545 HA GLU 80 HA GLU 80 -11.790 -7.358 6.996 546 1HB GLU 80 HB2 GLU 80 -9.801 -5.866 8.724 547 2HB GLU 80 HB1 GLU 80 -11.532 -5.946 9.002 548 1HG GLU 80 HG2 GLU 80 -11.215 -8.475 9.126 549 2HG GLU 80 HG1 GLU 80 -9.495 -8.119 9.261 550 H LEU 81 HN LEU 81 -9.097 -5.311 6.148 551 HA LEU 81 HA LEU 81 -10.661 -2.950 5.687 552 1HB LEU 81 HB2 LEU 81 -8.281 -2.856 6.309 553 2HB LEU 81 HB1 LEU 81 -7.860 -3.653 4.806 554 HG LEU 81 HG LEU 81 -8.642 -1.741 3.527 555 1HD1 LEU 81 HD11 LEU 81 -10.447 -0.902 4.780 556 2HD1 LEU 81 HD12 LEU 81 -9.217 0.361 4.822 557 3HD1 LEU 81 HD13 LEU 81 -9.452 -0.688 6.220 558 1HD2 LEU 81 HD21 LEU 81 -6.316 -1.839 4.500 559 2HD2 LEU 81 HD22 LEU 81 -6.885 -0.730 5.748 560 3HD2 LEU 81 HD23 LEU 81 -6.897 -0.235 4.055 561 H PHE 82 HN PHE 82 -8.811 -5.072 3.497 562 HA PHE 82 HA PHE 82 -10.011 -4.027 1.145 563 1HB PHE 82 HB2 PHE 82 -8.522 -6.627 1.567 564 2HB PHE 82 HB1 PHE 82 -8.909 -5.917 0.004 565 HD1 PHE 82 HD1 PHE 82 -8.309 -3.062 0.564 566 HD2 PHE 82 HD2 PHE 82 -6.197 -6.609 1.595 567 HE1 PHE 82 HE1 PHE 82 -6.206 -1.788 0.626 568 HE2 PHE 82 HE2 PHE 82 -4.090 -5.341 1.659 569 HZ PHE 82 HZ PHE 82 -4.093 -2.926 1.175 570 H GLY 83 HN GLY 83 -10.867 -6.565 3.359 571 1HA GLY 83 HA2 GLY 83 -12.893 -7.671 3.551 572 2HA GLY 83 HA1 GLY 83 -13.438 -6.856 2.093 573 H VAL 84 HN VAL 84 -10.478 -8.725 2.253 574 HA VAL 84 HA VAL 84 -11.773 -10.852 0.681 575 HB VAL 84 HB VAL 84 -9.738 -11.053 -0.688 576 1HG1 VAL 84 HG11 VAL 84 -10.480 -9.555 -2.200 577 2HG1 VAL 84 HG12 VAL 84 -10.397 -8.207 -1.065 578 3HG1 VAL 84 HG13 VAL 84 -11.770 -9.313 -1.022 579 1HG2 VAL 84 HG21 VAL 84 -7.900 -10.231 0.342 580 2HG2 VAL 84 HG22 VAL 84 -8.797 -8.953 1.162 581 3HG2 VAL 84 HG23 VAL 84 -8.342 -8.763 -0.531 582 H GLN 85 HN GLN 85 -10.323 -12.842 0.551 583 HA GLN 85 HA GLN 85 -9.153 -13.313 3.208 584 1HB GLN 85 HB2 GLN 85 -11.092 -14.691 2.833 585 2HB GLN 85 HB1 GLN 85 -10.483 -15.207 1.267 586 1HG GLN 85 HG2 GLN 85 -8.818 -16.542 2.232 587 2HG GLN 85 HG1 GLN 85 -9.012 -15.787 3.812 588 1HE2 GLN 85 HE21 GLN 85 -11.392 -15.969 4.610 589 2HE2 GLN 85 HE22 GLN 85 -12.067 -17.556 4.515 590 H GLU 86 HN GLU 86 -8.628 -13.544 -0.233 591 HA GLU 86 HA GLU 86 -5.794 -13.965 0.230 592 1HB GLU 86 HB2 GLU 86 -7.109 -15.779 -1.762 593 2HB GLU 86 HB1 GLU 86 -5.543 -15.943 -0.981 594 1HG GLU 86 HG2 GLU 86 -6.658 -16.463 1.134 595 2HG GLU 86 HG1 GLU 86 -8.224 -16.313 0.339 596 H PHE 87 HN PHE 87 -4.488 -13.246 -1.459 597 HA PHE 87 HA PHE 87 -5.595 -12.469 -3.987 598 1HB PHE 87 HB2 PHE 87 -5.242 -10.074 -3.791 599 2HB PHE 87 HB1 PHE 87 -6.367 -10.607 -2.546 600 HD1 PHE 87 HD1 PHE 87 -3.290 -8.928 -3.234 601 HD2 PHE 87 HD2 PHE 87 -5.477 -10.959 -0.201 602 HE1 PHE 87 HE1 PHE 87 -1.873 -7.880 -1.517 603 HE2 PHE 87 HE2 PHE 87 -4.065 -9.915 1.522 604 HZ PHE 87 HZ PHE 87 -2.260 -8.373 0.865 605 H SER 88 HN SER 88 -3.993 -11.705 -5.475 606 HA SER 88 HA SER 88 -1.264 -12.443 -4.657 607 1HB SER 88 HB2 SER 88 -2.565 -13.660 -6.583 608 2HB SER 88 HB1 SER 88 -2.110 -12.242 -7.528 609 HG SER 88 HG SER 88 0.094 -12.704 -6.814 610 H VAL 89 HN VAL 89 0.328 -10.973 -4.753 611 HA VAL 89 HA VAL 89 -0.316 -8.240 -5.231 612 HB VAL 89 HB VAL 89 2.194 -7.902 -4.940 613 1HG1 VAL 89 HG11 VAL 89 0.790 -7.448 -3.112 614 2HG1 VAL 89 HG12 VAL 89 2.045 -8.514 -2.480 615 3HG1 VAL 89 HG13 VAL 89 0.444 -9.156 -2.845 616 1HG2 VAL 89 HG21 VAL 89 3.537 -9.680 -4.185 617 2HG2 VAL 89 HG22 VAL 89 2.695 -10.306 -5.603 618 3HG2 VAL 89 HG23 VAL 89 2.151 -10.752 -3.986 619 H LYS 90 HN LYS 90 0.468 -10.719 -7.348 620 HA LYS 90 HA LYS 90 2.202 -9.557 -9.183 621 1HB LYS 90 HB2 LYS 90 0.921 -11.928 -9.042 622 2HB LYS 90 HB1 LYS 90 -0.035 -11.148 -10.294 623 1HG LYS 90 HG2 LYS 90 1.699 -12.427 -11.329 624 2HG LYS 90 HG1 LYS 90 2.053 -10.713 -11.553 625 1HD LYS 90 HD2 LYS 90 3.927 -10.809 -10.303 626 2HD LYS 90 HD1 LYS 90 3.208 -11.916 -9.132 627 1HE LYS 90 HE2 LYS 90 3.447 -13.727 -10.864 628 2HE LYS 90 HE1 LYS 90 4.395 -12.587 -11.818 629 1HZ LYS 90 HZ1 LYS 90 5.459 -14.262 -10.054 630 2HZ LYS 90 HZ2 LYS 90 5.217 -12.921 -9.052 631 3HZ LYS 90 HZ3 LYS 90 6.156 -12.772 -10.451 632 H GLU 91 HN GLU 91 -1.231 -9.071 -8.687 633 HA GLU 91 HA GLU 91 -1.441 -7.387 -11.056 634 1HB GLU 91 HB2 GLU 91 -3.453 -8.350 -9.027 635 2HB GLU 91 HB1 GLU 91 -3.852 -7.168 -10.266 636 1HG GLU 91 HG2 GLU 91 -2.975 -8.915 -11.928 637 2HG GLU 91 HG1 GLU 91 -3.121 -10.051 -10.587 638 H HIS 92 HN HIS 92 0.034 -5.757 -10.302 639 HA HIS 92 HA HIS 92 -0.277 -4.301 -7.930 640 1HB HIS 92 HB2 HIS 92 0.956 -3.594 -10.589 641 2HB HIS 92 HB1 HIS 92 0.984 -2.491 -9.217 642 HD1 HIS 92 HD1 HIS 92 3.638 -3.418 -10.277 643 HD2 HIS 92 HD2 HIS 92 1.552 -5.483 -7.335 644 HE1 HIS 92 HE1 HIS 92 5.364 -4.783 -9.061 645 HE2 HIS 92 HE2 HIS 92 4.065 -6.091 -7.344 646 H ARG 93 HN ARG 93 -1.837 -4.012 -11.051 647 HA ARG 93 HA ARG 93 -2.932 -1.449 -10.769 648 1HB ARG 93 HB2 ARG 93 -3.129 -3.612 -12.603 649 2HB ARG 93 HB1 ARG 93 -4.765 -3.123 -12.185 650 1HG ARG 93 HG2 ARG 93 -2.730 -1.076 -12.959 651 2HG ARG 93 HG1 ARG 93 -3.580 -2.011 -14.190 652 1HD ARG 93 HD2 ARG 93 -5.248 -0.549 -14.041 653 2HD ARG 93 HD1 ARG 93 -5.563 -1.160 -12.418 654 HE ARG 93 HE ARG 93 -4.665 0.761 -11.557 655 1HH1 ARG 93 HH11 ARG 93 -3.775 0.509 -14.922 656 2HH1 ARG 93 HH12 ARG 93 -3.096 2.100 -14.991 657 1HH2 ARG 93 HH21 ARG 93 -3.772 2.855 -11.646 658 2HH2 ARG 93 HH22 ARG 93 -3.094 3.432 -13.131 659 H ARG 94 HN ARG 94 -3.892 -4.526 -9.444 660 HA ARG 94 HA ARG 94 -6.506 -3.628 -8.634 661 1HB ARG 94 HB2 ARG 94 -4.905 -6.126 -8.295 662 2HB ARG 94 HB1 ARG 94 -6.263 -5.843 -7.215 663 1HG ARG 94 HG2 ARG 94 -7.144 -5.314 -9.853 664 2HG ARG 94 HG1 ARG 94 -6.275 -6.850 -9.870 665 1HD ARG 94 HD2 ARG 94 -8.572 -6.099 -8.064 666 2HD ARG 94 HD1 ARG 94 -8.627 -7.225 -9.420 667 HE ARG 94 HE ARG 94 -6.697 -7.927 -7.408 668 1HH1 ARG 94 HH11 ARG 94 -10.036 -8.196 -8.389 669 2HH1 ARG 94 HH12 ARG 94 -10.315 -9.646 -7.484 670 1HH2 ARG 94 HH21 ARG 94 -7.062 -9.834 -6.218 671 2HH2 ARG 94 HH22 ARG 94 -8.627 -10.576 -6.251 672 H ILE 95 HN ILE 95 -3.397 -4.228 -7.040 673 HA ILE 95 HA ILE 95 -4.213 -3.726 -4.411 674 HB ILE 95 HB ILE 95 -1.489 -3.147 -5.570 675 1HG1 ILE 95 HG12 ILE 95 -2.705 -5.707 -4.516 676 2HG1 ILE 95 HG11 ILE 95 -2.087 -5.410 -6.137 677 1HG2 ILE 95 HG21 ILE 95 -2.429 -3.709 -2.761 678 2HG2 ILE 95 HG22 ILE 95 -1.748 -2.203 -3.374 679 3HG2 ILE 95 HG23 ILE 95 -0.737 -3.643 -3.253 680 1HD1 ILE 95 HD11 ILE 95 -0.123 -6.188 -5.505 681 2HD1 ILE 95 HD12 ILE 95 -0.725 -6.415 -3.863 682 3HD1 ILE 95 HD13 ILE 95 0.011 -4.882 -4.328 683 H TYR 96 HN TYR 96 -2.627 -1.512 -6.718 684 HA TYR 96 HA TYR 96 -2.661 0.773 -5.133 685 1HB TYR 96 HB2 TYR 96 -1.495 0.426 -7.369 686 2HB TYR 96 HB1 TYR 96 -3.041 0.791 -8.127 687 HD1 TYR 96 HD1 TYR 96 -4.047 3.053 -7.839 688 HD2 TYR 96 HD2 TYR 96 -0.113 2.151 -6.491 689 HE1 TYR 96 HE1 TYR 96 -3.544 5.457 -7.717 690 HE2 TYR 96 HE2 TYR 96 0.400 4.553 -6.365 691 HH TYR 96 HH TYR 96 -2.018 6.966 -6.618 692 H ALA 97 HN ALA 97 -5.047 -0.247 -7.576 693 HA ALA 97 HA ALA 97 -6.845 1.881 -7.089 694 1HB ALA 97 HB1 ALA 97 -6.918 -0.671 -8.583 695 2HB ALA 97 HB2 ALA 97 -7.321 0.964 -9.106 696 3HB ALA 97 HB3 ALA 97 -8.470 0.039 -8.141 697 H MET 98 HN MET 98 -6.277 -1.131 -5.476 698 HA MET 98 HA MET 98 -8.800 -1.319 -4.181 699 1HB MET 98 HB2 MET 98 -7.742 -3.366 -4.325 700 2HB MET 98 HB1 MET 98 -6.153 -2.686 -4.002 701 1HG MET 98 HG2 MET 98 -6.372 -2.876 -1.781 702 2HG MET 98 HG1 MET 98 -8.092 -2.520 -1.816 703 1HE MET 98 HE1 MET 98 -5.852 -5.856 -3.251 704 2HE MET 98 HE2 MET 98 -5.950 -6.407 -1.578 705 3HE MET 98 HE3 MET 98 -5.296 -4.811 -1.944 706 H ILE 99 HN ILE 99 -5.546 -0.667 -2.863 707 HA ILE 99 HA ILE 99 -6.351 0.226 -0.359 708 HB ILE 99 HB ILE 99 -4.166 1.491 -0.325 709 1HG1 ILE 99 HG12 ILE 99 -2.836 0.366 -2.489 710 2HG1 ILE 99 HG11 ILE 99 -4.366 0.903 -3.177 711 1HG2 ILE 99 HG21 ILE 99 -4.461 -1.419 -0.863 712 2HG2 ILE 99 HG22 ILE 99 -3.955 -0.586 0.607 713 3HG2 ILE 99 HG23 ILE 99 -2.837 -0.742 -0.748 714 1HD1 ILE 99 HD11 ILE 99 -2.112 2.468 -2.107 715 2HD1 ILE 99 HD12 ILE 99 -3.730 3.088 -1.780 716 3HD1 ILE 99 HD13 ILE 99 -3.210 2.814 -3.443 717 H SER 100 HN SER 100 -6.281 1.900 -3.420 718 HA SER 100 HA SER 100 -6.406 4.547 -2.501 719 1HB SER 100 HB2 SER 100 -7.074 3.141 -5.032 720 2HB SER 100 HB1 SER 100 -7.788 4.736 -4.796 721 HG SER 100 HG SER 100 -5.846 5.639 -4.866 722 H ARG 101 HN ARG 101 -9.039 2.342 -3.451 723 HA ARG 101 HA ARG 101 -11.163 4.052 -2.846 724 1HB ARG 101 HB2 ARG 101 -11.125 1.036 -2.651 725 2HB ARG 101 HB1 ARG 101 -12.556 2.047 -2.796 726 1HG ARG 101 HG2 ARG 101 -12.101 2.585 -5.016 727 2HG ARG 101 HG1 ARG 101 -10.411 2.096 -4.883 728 1HD ARG 101 HD2 ARG 101 -10.911 0.031 -5.533 729 2HD ARG 101 HD1 ARG 101 -12.109 -0.123 -4.249 730 HE ARG 101 HE ARG 101 -13.028 1.378 -6.523 731 1HH1 ARG 101 HH11 ARG 101 -12.680 -1.809 -5.144 732 2HH1 ARG 101 HH12 ARG 101 -13.961 -2.493 -6.087 733 1HH2 ARG 101 HH21 ARG 101 -14.713 0.479 -7.765 734 2HH2 ARG 101 HH22 ARG 101 -15.114 -1.195 -7.576 735 H ASN 102 HN ASN 102 -9.045 2.315 -0.765 736 HA ASN 102 HA ASN 102 -10.861 2.541 1.511 737 1HB ASN 102 HB2 ASN 102 -8.186 1.194 1.145 738 2HB ASN 102 HB1 ASN 102 -8.978 1.329 2.712 739 1HD2 ASN 102 HD21 ASN 102 -8.372 -1.122 1.650 740 2HD2 ASN 102 HD22 ASN 102 -9.829 -1.940 1.214 741 H LEU 103 HN LEU 103 -9.929 4.970 0.395 742 HA LEU 103 HA LEU 103 -8.253 5.960 2.608 743 1HB LEU 103 HB2 LEU 103 -8.243 6.841 -0.279 744 2HB LEU 103 HB1 LEU 103 -7.410 7.687 1.011 745 HG LEU 103 HG LEU 103 -6.834 4.811 0.333 746 1HD1 LEU 103 HD11 LEU 103 -5.206 5.412 -1.178 747 2HD1 LEU 103 HD12 LEU 103 -5.092 7.061 -0.562 748 3HD1 LEU 103 HD13 LEU 103 -6.476 6.580 -1.545 749 1HD2 LEU 103 HD21 LEU 103 -4.568 5.900 1.347 750 2HD2 LEU 103 HD22 LEU 103 -5.774 5.036 2.301 751 3HD2 LEU 103 HD23 LEU 103 -5.801 6.798 2.232 752 H VAL 104 HN VAL 104 -9.406 7.224 3.898 753 HA VAL 104 HA VAL 104 -11.952 8.182 3.402 754 HB VAL 104 HB VAL 104 -11.302 9.950 5.241 755 1HG1 VAL 104 HG11 VAL 104 -11.927 8.396 6.889 756 2HG1 VAL 104 HG12 VAL 104 -11.213 7.046 6.005 757 3HG1 VAL 104 HG13 VAL 104 -12.682 7.816 5.404 758 1HG2 VAL 104 HG21 VAL 104 -9.285 8.064 6.188 759 2HG2 VAL 104 HG22 VAL 104 -9.282 9.828 6.200 760 3HG2 VAL 104 HG23 VAL 104 -8.788 8.956 4.751 761 H SER 105 HN SER 105 -9.390 10.584 3.942 762 HA SER 105 HA SER 105 -10.520 12.137 1.719 763 1HB SER 105 HB2 SER 105 -9.369 12.880 4.361 764 2HB SER 105 HB1 SER 105 -9.068 13.978 3.015 765 HG SER 105 HG SER 105 -11.040 14.354 4.273 766 H ALA 106 HN ALA 106 -9.356 11.678 -0.062 767 HA ALA 106 HA ALA 106 -6.422 11.653 0.165 768 1HB ALA 106 HB1 ALA 106 -8.147 10.525 -2.037 769 2HB ALA 106 HB2 ALA 106 -7.426 9.596 -0.722 770 3HB ALA 106 HB3 ALA 106 -6.393 10.392 -1.910 771 H ASN 107 HN ASN 107 -5.156 12.804 -1.325 772 HA ASN 107 HA ASN 107 -6.368 15.261 -2.237 773 1HB ASN 107 HB2 ASN 107 -3.626 14.247 -1.812 774 2HB ASN 107 HB1 ASN 107 -3.804 15.399 -3.132 775 1HD2 ASN 107 HD21 ASN 107 -3.874 14.919 0.276 776 2HD2 ASN 107 HD22 ASN 107 -4.028 16.581 0.724 777 H VAL 108 HN VAL 108 -5.985 16.095 -4.432 778 HA VAL 108 HA VAL 108 -6.915 14.298 -6.377 779 HB VAL 108 HB VAL 108 -6.074 16.285 -7.952 780 1HG1 VAL 108 HG11 VAL 108 -8.248 17.319 -7.591 781 2HG1 VAL 108 HG12 VAL 108 -8.409 16.442 -6.067 782 3HG1 VAL 108 HG13 VAL 108 -8.359 15.556 -7.595 783 1HG2 VAL 108 HG21 VAL 108 -6.615 17.899 -5.518 784 2HG2 VAL 108 HG22 VAL 108 -5.683 18.300 -6.961 785 3HG2 VAL 108 HG23 VAL 108 -4.990 17.245 -5.729 786 H LYS 109 HN LYS 109 -5.937 13.560 -8.291 787 HA LYS 109 HA LYS 109 -3.084 13.002 -7.973 788 1HB LYS 109 HB2 LYS 109 -5.165 11.782 -9.794 789 2HB LYS 109 HB1 LYS 109 -3.479 11.292 -9.731 790 1HG LYS 109 HG2 LYS 109 -4.014 9.838 -8.154 791 2HG LYS 109 HG1 LYS 109 -4.388 11.193 -7.088 792 1HD LYS 109 HD2 LYS 109 -6.613 10.909 -7.304 793 2HD LYS 109 HD1 LYS 109 -6.497 10.521 -9.022 794 1HE LYS 109 HE2 LYS 109 -5.487 8.548 -7.031 795 2HE LYS 109 HE1 LYS 109 -7.228 8.708 -7.257 796 1HZ LYS 109 HZ1 LYS 109 -5.705 7.102 -8.720 797 2HZ LYS 109 HZ2 LYS 109 -5.644 8.491 -9.683 798 3HZ LYS 109 HZ3 LYS 109 -7.137 7.795 -9.297 799 H GLU 110 HN GLU 110 -1.607 13.250 -9.706 800 HA GLU 110 HA GLU 110 -2.478 15.084 -11.835 801 1HB GLU 110 HB2 GLU 110 -0.440 15.492 -9.777 802 2HB GLU 110 HB1 GLU 110 0.167 15.752 -11.406 803 1HG GLU 110 HG2 GLU 110 -2.201 17.111 -10.141 804 2HG GLU 110 HG1 GLU 110 -0.620 17.825 -10.458 805 H SER 111 HN SER 111 -2.226 14.111 -13.726 806 HA SER 111 HA SER 111 -0.510 11.844 -14.063 807 1HB SER 111 HB2 SER 111 -2.777 12.473 -15.261 808 2HB SER 111 HB1 SER 111 -1.702 13.288 -16.397 809 HG SER 111 HG SER 111 -0.769 11.370 -16.903 810 H SER 112 HN SER 112 1.493 11.737 -14.889 811 HA SER 112 HA SER 112 2.610 14.120 -16.193 812 1HB SER 112 HB2 SER 112 3.582 12.758 -13.731 813 2HB SER 112 HB1 SER 112 4.799 13.302 -14.886 814 HG SER 112 HG SER 112 2.748 14.930 -13.788 815 H GLU 113 HN GLU 113 4.175 13.729 -17.752 816 HA GLU 113 HA GLU 113 3.986 11.304 -19.156 817 1HB GLU 113 HB2 GLU 113 6.104 13.452 -19.353 818 2HB GLU 113 HB1 GLU 113 5.828 12.184 -20.539 819 1HG GLU 113 HG2 GLU 113 3.741 13.083 -21.162 820 2HG GLU 113 HG1 GLU 113 3.706 14.160 -19.767 821 H ASP 114 HN ASP 114 4.793 9.401 -18.599 822 HA ASP 114 HA ASP 114 7.269 9.318 -17.014 823 1HB ASP 114 HB2 ASP 114 4.828 7.626 -17.102 824 2HB ASP 114 HB1 ASP 114 6.356 6.802 -16.806 825 H ILE 115 HN ILE 115 8.934 7.887 -17.585 826 HA ILE 115 HA ILE 115 8.868 6.995 -20.373 827 HB ILE 115 HB ILE 115 11.328 7.581 -18.724 828 1HG1 ILE 115 HG12 ILE 115 9.968 9.323 -20.792 829 2HG1 ILE 115 HG11 ILE 115 9.998 9.630 -19.058 830 1HG2 ILE 115 HG21 ILE 115 12.196 6.322 -20.380 831 2HG2 ILE 115 HG22 ILE 115 12.073 7.820 -21.302 832 3HG2 ILE 115 HG23 ILE 115 10.820 6.589 -21.450 833 1HD1 ILE 115 HD11 ILE 115 12.078 10.461 -19.117 834 2HD1 ILE 115 HD12 ILE 115 11.720 10.706 -20.827 835 3HD1 ILE 115 HD13 ILE 115 12.630 9.286 -20.310 836 H PHE 116 HN PHE 116 8.265 4.960 -20.270 837 HA PHE 116 HA PHE 116 8.912 3.132 -18.210 838 1HB PHE 116 HB2 PHE 116 7.821 2.772 -20.997 839 2HB PHE 116 HB1 PHE 116 8.117 1.407 -19.925 840 HD1 PHE 116 HD1 PHE 116 5.639 3.432 -21.110 841 HD2 PHE 116 HD2 PHE 116 7.144 1.948 -17.417 842 HE1 PHE 116 HE1 PHE 116 3.431 3.771 -20.078 843 HE2 PHE 116 HE2 PHE 116 4.939 2.283 -16.378 844 HZ PHE 116 HZ PHE 116 3.079 3.196 -17.710 845 H GLY 117 HN GLY 117 10.520 4.081 -21.141 846 1HA GLY 117 HA2 GLY 117 12.955 3.688 -21.136 847 2HA GLY 117 HA1 GLY 117 12.602 2.057 -20.587 848 H ASN 118 HN ASN 118 10.925 3.862 -23.118 849 HA ASN 118 HA ASN 118 11.809 1.810 -25.038 850 1HB ASN 118 HB2 ASN 118 9.313 3.502 -25.234 851 2HB ASN 118 HB1 ASN 118 9.737 2.105 -26.217 852 1HD2 ASN 118 HD21 ASN 118 8.280 0.612 -25.750 853 2HD2 ASN 118 HD22 ASN 118 7.858 0.078 -24.162 854 H VAL 119 HN VAL 119 12.946 2.434 -26.761 855 HA VAL 119 HA VAL 119 13.623 5.225 -27.066 856 HB VAL 119 HB VAL 119 14.498 2.922 -28.808 857 1HG1 VAL 119 HG11 VAL 119 16.036 4.319 -29.733 858 2HG1 VAL 119 HG12 VAL 119 16.183 5.303 -28.278 859 3HG1 VAL 119 HG13 VAL 119 14.794 5.509 -29.345 860 1HG2 VAL 119 HG21 VAL 119 14.956 2.616 -26.338 861 2HG2 VAL 119 HG22 VAL 119 16.006 4.029 -26.451 862 3HG2 VAL 119 HG23 VAL 119 16.366 2.585 -27.397 863 H30 IMY 120 1H30 IMY 120 8.072 -12.014 -5.718 864 1H30 IMY 120 2H30 IMY 120 6.347 -12.020 -6.257 865 2H30 IMY 120 3H30 IMY 120 7.088 -13.478 -5.585 866 H26 IMY 120 H26 IMY 120 6.469 -9.895 -5.926 867 H25 IMY 120 H25 IMY 120 6.177 -7.596 -5.221 868 H31 IMY 120 H31 IMY 120 6.634 -10.423 0.317 869 1H32 IMY 120 1H32 IMY 120 4.575 -8.404 1.424 870 2H32 IMY 120 2H32 IMY 120 5.221 -9.811 2.284 871 3H32 IMY 120 3H32 IMY 120 6.255 -8.416 1.923 872 1H33 IMY 120 1H33 IMY 120 4.878 -10.942 -1.292 873 2H33 IMY 120 2H33 IMY 120 4.286 -11.217 0.355 874 3H33 IMY 120 3H33 IMY 120 3.787 -9.773 -0.564 875 H28 IMY 120 H28 IMY 120 6.537 -11.207 -1.859 876 H4 IMY 120 H4 IMY 120 6.286 -4.017 -3.451 877 H3 IMY 120 H3 IMY 120 5.737 -3.906 -1.178 878 H18 IMY 120 H18 IMY 120 3.425 -6.898 -1.584 879 H17 IMY 120 H17 IMY 120 1.091 -6.882 -0.887 880 H15 IMY 120 H15 IMY 120 1.327 -2.753 0.110 881 H14 IMY 120 H14 IMY 120 3.685 -2.685 -0.604 882 H20 IMY 120 H20 IMY 120 5.227 -1.751 -3.640 883 H21 IMY 120 H21 IMY 120 3.586 -0.421 -4.865 884 H23 IMY 120 H23 IMY 120 1.348 -3.974 -5.780 885 H24 IMY 120 H24 IMY 120 3.046 -5.344 -4.694 Start of MODEL 4 1 1H ASN 13 HT1 ASN 13 -7.863 6.043 21.555 2 2H ASN 13 HT2 ASN 13 -8.651 6.896 22.820 3 3H ASN 13 HT3 ASN 13 -6.966 7.101 22.563 4 HA ASN 13 HA ASN 13 -8.018 8.973 21.712 5 1HB ASN 13 HB2 ASN 13 -6.377 7.290 20.275 6 2HB ASN 13 HB1 ASN 13 -7.691 7.590 19.142 7 1HD2 ASN 13 HD21 ASN 13 -5.342 9.181 21.230 8 2HD2 ASN 13 HD22 ASN 13 -5.201 10.618 20.281 9 H HIS 14 HN HIS 14 -9.494 9.893 20.072 10 HA HIS 14 HA HIS 14 -11.991 8.354 19.996 11 1HB HIS 14 HB2 HIS 14 -11.351 11.279 19.997 12 2HB HIS 14 HB1 HIS 14 -12.876 10.731 19.311 13 HD1 HIS 14 HD1 HIS 14 -13.924 8.746 21.220 14 HD2 HIS 14 HD2 HIS 14 -11.863 12.117 22.505 15 HE1 HIS 14 HE1 HIS 14 -14.633 9.098 23.607 16 HE2 HIS 14 HE2 HIS 14 -13.306 11.091 24.390 17 H ILE 15 HN ILE 15 -11.735 7.094 18.169 18 HA ILE 15 HA ILE 15 -11.850 6.567 15.963 19 HB ILE 15 HB ILE 15 -12.462 9.498 15.548 20 1HG1 ILE 15 HG12 ILE 15 -14.823 8.138 15.275 21 2HG1 ILE 15 HG11 ILE 15 -14.044 7.239 16.574 22 1HG2 ILE 15 HG21 ILE 15 -13.515 8.742 13.460 23 2HG2 ILE 15 HG22 ILE 15 -12.945 7.104 13.779 24 3HG2 ILE 15 HG23 ILE 15 -11.785 8.401 13.492 25 1HD1 ILE 15 HD11 ILE 15 -13.657 9.871 17.290 26 2HD1 ILE 15 HD12 ILE 15 -14.877 8.775 17.939 27 3HD1 ILE 15 HD13 ILE 15 -15.282 9.855 16.605 28 H SER 16 HN SER 16 -10.619 9.880 15.586 29 HA SER 16 HA SER 16 -8.668 10.700 14.691 30 1HB SER 16 HB2 SER 16 -7.516 9.689 16.527 31 2HB SER 16 HB1 SER 16 -7.643 8.084 15.809 32 HG SER 16 HG SER 16 -6.220 8.743 14.190 33 H THR 17 HN THR 17 -7.961 7.294 14.004 34 HA THR 17 HA THR 17 -7.917 7.969 11.148 35 HB THR 17 HB THR 17 -5.817 7.113 11.807 36 HG1 THR 17 HG1 THR 17 -7.196 4.847 10.819 37 1HG2 THR 17 HG21 THR 17 -7.278 4.896 13.216 38 2HG2 THR 17 HG22 THR 17 -6.304 6.168 13.951 39 3HG2 THR 17 HG23 THR 17 -5.536 4.940 12.944 40 H SER 18 HN SER 18 -9.520 6.012 13.509 41 HA SER 18 HA SER 18 -10.547 3.943 11.982 42 1HB SER 18 HB2 SER 18 -10.841 4.702 14.558 43 2HB SER 18 HB1 SER 18 -12.417 5.172 13.924 44 HG SER 18 HG SER 18 -11.221 2.610 13.935 45 H ASP 19 HN ASP 19 -12.608 3.637 10.977 46 HA ASP 19 HA ASP 19 -14.291 4.170 9.544 47 1HB ASP 19 HB2 ASP 19 -14.260 6.852 10.947 48 2HB ASP 19 HB1 ASP 19 -15.557 6.228 9.932 49 H GLN 20 HN GLN 20 -14.344 4.778 7.452 50 HA GLN 20 HA GLN 20 -12.101 5.784 6.177 51 1HB GLN 20 HB2 GLN 20 -14.969 5.502 5.355 52 2HB GLN 20 HB1 GLN 20 -13.839 6.329 4.293 53 1HG GLN 20 HG2 GLN 20 -12.807 4.435 3.693 54 2HG GLN 20 HG1 GLN 20 -12.907 3.742 5.311 55 1HE2 GLN 20 HE21 GLN 20 -13.413 1.781 4.093 56 2HE2 GLN 20 HE22 GLN 20 -15.051 1.491 3.627 57 H GLU 21 HN GLU 21 -11.293 7.745 5.815 58 HA GLU 21 HA GLU 21 -13.008 10.089 5.948 59 1HB GLU 21 HB2 GLU 21 -10.791 9.488 7.856 60 2HB GLU 21 HB1 GLU 21 -11.076 11.156 7.380 61 1HG GLU 21 HG2 GLU 21 -13.592 10.279 8.018 62 2HG GLU 21 HG1 GLU 21 -12.577 9.440 9.189 63 H LYS 22 HN LYS 22 -9.509 9.865 6.149 64 HA LYS 22 HA LYS 22 -9.193 11.587 3.876 65 1HB LYS 22 HB2 LYS 22 -6.977 10.027 5.185 66 2HB LYS 22 HB1 LYS 22 -6.882 11.576 4.358 67 1HG LYS 22 HG2 LYS 22 -8.681 11.786 6.574 68 2HG LYS 22 HG1 LYS 22 -7.150 11.094 7.112 69 1HD LYS 22 HD2 LYS 22 -6.435 13.214 7.220 70 2HD LYS 22 HD1 LYS 22 -6.330 13.123 5.461 71 1HE LYS 22 HE2 LYS 22 -7.674 14.925 5.530 72 2HE LYS 22 HE1 LYS 22 -8.946 13.731 5.779 73 1HZ LYS 22 HZ1 LYS 22 -8.131 14.105 8.279 74 2HZ LYS 22 HZ2 LYS 22 -9.370 15.007 7.565 75 3HZ LYS 22 HZ3 LYS 22 -7.803 15.639 7.646 76 H LEU 23 HN LEU 23 -8.122 11.061 1.909 77 HA LEU 23 HA LEU 23 -8.147 8.187 1.265 78 1HB LEU 23 HB2 LEU 23 -8.721 10.258 -0.816 79 2HB LEU 23 HB1 LEU 23 -9.146 8.558 -0.799 80 HG LEU 23 HG LEU 23 -10.459 9.905 1.381 81 1HD1 LEU 23 HD11 LEU 23 -11.998 11.256 -0.095 82 2HD1 LEU 23 HD12 LEU 23 -10.762 11.130 -1.347 83 3HD1 LEU 23 HD13 LEU 23 -10.393 11.935 0.179 84 1HD2 LEU 23 HD21 LEU 23 -12.060 8.991 -0.892 85 2HD2 LEU 23 HD22 LEU 23 -12.115 8.511 0.804 86 3HD2 LEU 23 HD23 LEU 23 -10.924 7.790 -0.278 87 H VAL 24 HN VAL 24 -6.689 7.497 -0.385 88 HA VAL 24 HA VAL 24 -4.355 9.271 -0.664 89 HB VAL 24 HB VAL 24 -3.189 6.944 -1.127 90 1HG1 VAL 24 HG11 VAL 24 -2.659 8.574 0.663 91 2HG1 VAL 24 HG12 VAL 24 -2.462 6.895 1.166 92 3HG1 VAL 24 HG13 VAL 24 -3.882 7.808 1.676 93 1HG2 VAL 24 HG21 VAL 24 -5.102 5.518 -1.000 94 2HG2 VAL 24 HG22 VAL 24 -5.574 6.195 0.559 95 3HG2 VAL 24 HG23 VAL 24 -4.116 5.211 0.431 96 H GLN 25 HN GLN 25 -3.054 8.895 -2.681 97 HA GLN 25 HA GLN 25 -4.775 8.024 -4.908 98 1HB GLN 25 HB2 GLN 25 -4.373 10.590 -4.515 99 2HB GLN 25 HB1 GLN 25 -2.821 10.257 -5.266 100 1HG GLN 25 HG2 GLN 25 -5.560 10.010 -6.448 101 2HG GLN 25 HG1 GLN 25 -4.198 10.983 -7.002 102 1HE2 GLN 25 HE21 GLN 25 -3.136 10.223 -8.675 103 2HE2 GLN 25 HE22 GLN 25 -3.070 8.572 -9.181 104 HA PRO 26 HA PRO 26 -0.956 5.516 -5.271 105 1HB PRO 26 HB2 PRO 26 -2.731 3.978 -7.065 106 2HB PRO 26 HB1 PRO 26 -1.774 3.423 -5.689 107 1HG PRO 26 HG2 PRO 26 -4.438 3.601 -5.542 108 2HG PRO 26 HG1 PRO 26 -3.410 3.996 -4.152 109 1HD PRO 26 HD2 PRO 26 -4.783 5.835 -6.079 110 2HD PRO 26 HD1 PRO 26 -4.615 5.973 -4.316 111 H THR 27 HN THR 27 0.582 5.871 -6.766 112 HA THR 27 HA THR 27 0.328 7.567 -8.914 113 HB THR 27 HB THR 27 2.389 6.162 -9.804 114 HG1 THR 27 HG1 THR 27 2.642 4.452 -8.621 115 1HG2 THR 27 HG21 THR 27 2.158 8.100 -7.626 116 2HG2 THR 27 HG22 THR 27 3.218 8.087 -9.036 117 3HG2 THR 27 HG23 THR 27 3.635 7.137 -7.609 118 HA PRO 28 HA PRO 28 -1.600 5.723 -12.401 119 1HB PRO 28 HB2 PRO 28 0.594 5.573 -14.190 120 2HB PRO 28 HB1 PRO 28 -0.610 6.858 -14.085 121 1HG PRO 28 HG2 PRO 28 2.131 6.736 -12.958 122 2HG PRO 28 HG1 PRO 28 1.194 8.138 -13.501 123 1HD PRO 28 HD2 PRO 28 1.595 7.634 -10.895 124 2HD PRO 28 HD1 PRO 28 0.067 8.324 -11.485 125 H LEU 29 HN LEU 29 1.477 4.387 -11.367 126 HA LEU 29 HA LEU 29 1.192 1.898 -12.736 127 1HB LEU 29 HB2 LEU 29 3.382 2.717 -12.063 128 2HB LEU 29 HB1 LEU 29 2.905 2.681 -10.377 129 HG LEU 29 HG LEU 29 2.828 0.277 -10.377 130 1HD1 LEU 29 HD11 LEU 29 1.942 0.047 -12.690 131 2HD1 LEU 29 HD12 LEU 29 3.252 -1.071 -12.310 132 3HD1 LEU 29 HD13 LEU 29 3.569 0.356 -13.295 133 1HD2 LEU 29 HD21 LEU 29 5.038 1.510 -10.192 134 2HD2 LEU 29 HD22 LEU 29 5.334 1.018 -11.859 135 3HD2 LEU 29 HD23 LEU 29 5.121 -0.203 -10.605 136 H LEU 30 HN LEU 30 1.103 2.628 -9.242 137 HA LEU 30 HA LEU 30 -0.061 0.191 -8.481 138 1HB LEU 30 HB2 LEU 30 1.095 1.739 -6.938 139 2HB LEU 30 HB1 LEU 30 -0.239 2.865 -7.090 140 HG LEU 30 HG LEU 30 -1.736 1.364 -5.966 141 1HD1 LEU 30 HD11 LEU 30 0.458 -0.605 -6.395 142 2HD1 LEU 30 HD12 LEU 30 -1.281 -0.786 -6.621 143 3HD1 LEU 30 HD13 LEU 30 -0.598 -0.786 -4.995 144 1HD2 LEU 30 HD21 LEU 30 0.854 2.061 -4.741 145 2HD2 LEU 30 HD22 LEU 30 -0.123 0.882 -3.867 146 3HD2 LEU 30 HD23 LEU 30 -0.787 2.471 -4.244 147 H LEU 31 HN LEU 31 -1.414 3.181 -9.634 148 HA LEU 31 HA LEU 31 -4.062 2.950 -8.844 149 1HB LEU 31 HB2 LEU 31 -2.905 4.885 -10.014 150 2HB LEU 31 HB1 LEU 31 -3.151 4.015 -11.513 151 HG LEU 31 HG LEU 31 -4.811 5.892 -10.798 152 1HD1 LEU 31 HD11 LEU 31 -6.672 4.633 -11.896 153 2HD1 LEU 31 HD12 LEU 31 -5.628 3.213 -11.888 154 3HD1 LEU 31 HD13 LEU 31 -5.151 4.651 -12.789 155 1HD2 LEU 31 HD21 LEU 31 -6.747 5.055 -9.559 156 2HD2 LEU 31 HD22 LEU 31 -5.286 5.047 -8.571 157 3HD2 LEU 31 HD23 LEU 31 -5.897 3.541 -9.257 158 H SER 32 HN SER 32 -2.645 1.904 -11.951 159 HA SER 32 HA SER 32 -4.914 0.693 -13.009 160 1HB SER 32 HB2 SER 32 -2.066 -0.243 -13.431 161 2HB SER 32 HB1 SER 32 -3.431 -0.460 -14.526 162 HG SER 32 HG SER 32 -1.749 1.476 -14.610 163 H LEU 33 HN LEU 33 -2.406 -0.708 -10.904 164 HA LEU 33 HA LEU 33 -3.180 -3.362 -10.974 165 1HB LEU 33 HB2 LEU 33 -2.461 -2.153 -8.340 166 2HB LEU 33 HB1 LEU 33 -1.991 -3.696 -9.012 167 HG LEU 33 HG LEU 33 -0.883 -0.991 -9.742 168 1HD1 LEU 33 HD11 LEU 33 0.573 -3.410 -8.720 169 2HD1 LEU 33 HD12 LEU 33 -0.112 -2.192 -7.645 170 3HD1 LEU 33 HD13 LEU 33 1.138 -1.741 -8.804 171 1HD2 LEU 33 HD21 LEU 33 -0.370 -3.679 -11.008 172 2HD2 LEU 33 HD22 LEU 33 0.595 -2.230 -11.289 173 3HD2 LEU 33 HD23 LEU 33 -1.099 -2.269 -11.777 174 H LEU 34 HN LEU 34 -4.422 -0.772 -8.885 175 HA LEU 34 HA LEU 34 -6.366 -2.356 -7.569 176 1HB LEU 34 HB2 LEU 34 -6.418 0.622 -8.100 177 2HB LEU 34 HB1 LEU 34 -7.372 -0.225 -6.901 178 HG LEU 34 HG LEU 34 -4.360 -0.008 -6.871 179 1HD1 LEU 34 HD11 LEU 34 -4.565 1.633 -5.208 180 2HD1 LEU 34 HD12 LEU 34 -6.288 1.323 -4.994 181 3HD1 LEU 34 HD13 LEU 34 -5.710 2.111 -6.461 182 1HD2 LEU 34 HD21 LEU 34 -5.852 -1.960 -5.743 183 2HD2 LEU 34 HD22 LEU 34 -5.857 -0.756 -4.455 184 3HD2 LEU 34 HD23 LEU 34 -4.326 -1.372 -5.081 185 H LYS 35 HN LYS 35 -6.491 -0.172 -10.338 186 HA LYS 35 HA LYS 35 -9.145 -0.242 -11.002 187 1HB LYS 35 HB2 LYS 35 -6.680 -0.200 -12.736 188 2HB LYS 35 HB1 LYS 35 -8.290 -0.030 -13.407 189 1HG LYS 35 HG2 LYS 35 -6.920 1.802 -11.460 190 2HG LYS 35 HG1 LYS 35 -7.353 2.143 -13.136 191 1HD LYS 35 HD2 LYS 35 -9.776 1.628 -12.322 192 2HD LYS 35 HD1 LYS 35 -9.107 1.948 -10.721 193 1HE LYS 35 HE2 LYS 35 -10.152 3.929 -11.856 194 2HE LYS 35 HE1 LYS 35 -8.487 4.159 -11.326 195 1HZ LYS 35 HZ1 LYS 35 -9.085 3.294 -14.083 196 2HZ LYS 35 HZ2 LYS 35 -7.704 4.070 -13.490 197 3HZ LYS 35 HZ3 LYS 35 -9.149 4.932 -13.662 198 H SER 36 HN SER 36 -6.671 -2.656 -11.697 199 HA SER 36 HA SER 36 -8.565 -4.356 -13.098 200 1HB SER 36 HB2 SER 36 -5.799 -4.015 -13.233 201 2HB SER 36 HB1 SER 36 -6.007 -5.597 -12.483 202 HG SER 36 HG SER 36 -6.582 -6.339 -14.351 203 H ALA 37 HN ALA 37 -7.257 -3.974 -9.926 204 HA ALA 37 HA ALA 37 -7.738 -6.643 -9.018 205 1HB ALA 37 HB1 ALA 37 -7.562 -4.258 -7.208 206 2HB ALA 37 HB2 ALA 37 -6.136 -4.891 -8.032 207 3HB ALA 37 HB3 ALA 37 -7.038 -5.919 -6.920 208 H GLY 38 HN GLY 38 -9.851 -4.218 -9.866 209 1HA GLY 38 HA2 GLY 38 -12.226 -4.826 -9.711 210 2HA GLY 38 HA1 GLY 38 -11.914 -5.292 -8.045 211 H ALA 39 HN ALA 39 -10.186 -2.526 -8.849 212 HA ALA 39 HA ALA 39 -11.975 -0.897 -7.257 213 1HB ALA 39 HB1 ALA 39 -9.182 -1.014 -7.650 214 2HB ALA 39 HB2 ALA 39 -10.084 0.036 -6.564 215 3HB ALA 39 HB3 ALA 39 -9.714 0.574 -8.205 216 H GLN 40 HN GLN 40 -12.927 1.107 -8.014 217 HA GLN 40 HA GLN 40 -13.064 1.280 -10.949 218 1HB GLN 40 HB2 GLN 40 -15.078 1.773 -8.792 219 2HB GLN 40 HB1 GLN 40 -15.233 2.614 -10.328 220 1HG GLN 40 HG2 GLN 40 -15.208 -0.362 -9.890 221 2HG GLN 40 HG1 GLN 40 -16.583 0.634 -10.362 222 1HE2 GLN 40 HE21 GLN 40 -14.440 -1.501 -11.503 223 2HE2 GLN 40 HE22 GLN 40 -14.354 -1.009 -13.157 224 H LYS 41 HN LYS 41 -13.705 3.517 -8.244 225 HA LYS 41 HA LYS 41 -13.235 5.877 -9.558 226 1HB LYS 41 HB2 LYS 41 -12.622 6.816 -7.303 227 2HB LYS 41 HB1 LYS 41 -14.148 5.949 -7.365 228 1HG LYS 41 HG2 LYS 41 -11.776 4.368 -6.610 229 2HG LYS 41 HG1 LYS 41 -12.320 5.582 -5.453 230 1HD LYS 41 HD2 LYS 41 -14.679 4.467 -6.042 231 2HD LYS 41 HD1 LYS 41 -13.630 3.081 -6.345 232 1HE LYS 41 HE2 LYS 41 -12.729 4.190 -3.941 233 2HE LYS 41 HE1 LYS 41 -14.489 4.219 -3.841 234 1HZ LYS 41 HZ1 LYS 41 -13.201 1.767 -4.790 235 2HZ LYS 41 HZ2 LYS 41 -14.624 1.962 -3.897 236 3HZ LYS 41 HZ3 LYS 41 -13.121 2.116 -3.136 237 H GLU 42 HN GLU 42 -11.351 7.437 -8.868 238 HA GLU 42 HA GLU 42 -8.898 6.159 -9.807 239 1HB GLU 42 HB2 GLU 42 -9.669 9.066 -9.507 240 2HB GLU 42 HB1 GLU 42 -8.096 8.518 -10.071 241 1HG GLU 42 HG2 GLU 42 -9.685 7.167 -11.761 242 2HG GLU 42 HG1 GLU 42 -10.693 8.580 -11.455 243 H THR 43 HN THR 43 -10.228 7.764 -7.003 244 HA THR 43 HA THR 43 -7.649 7.402 -5.618 245 HB THR 43 HB THR 43 -9.670 9.169 -4.384 246 HG1 THR 43 HG1 THR 43 -9.905 9.875 -6.479 247 1HG2 THR 43 HG21 THR 43 -6.710 9.168 -4.736 248 2HG2 THR 43 HG22 THR 43 -7.668 9.233 -3.256 249 3HG2 THR 43 HG23 THR 43 -7.559 10.651 -4.300 250 H PHE 44 HN PHE 44 -7.599 6.280 -3.725 251 HA PHE 44 HA PHE 44 -10.151 5.308 -2.641 252 1HB PHE 44 HB2 PHE 44 -7.739 3.530 -2.954 253 2HB PHE 44 HB1 PHE 44 -9.374 3.060 -2.512 254 HD1 PHE 44 HD1 PHE 44 -7.417 4.550 -5.299 255 HD2 PHE 44 HD2 PHE 44 -10.802 2.249 -4.132 256 HE1 PHE 44 HE1 PHE 44 -7.873 4.028 -7.660 257 HE2 PHE 44 HE2 PHE 44 -11.265 1.732 -6.493 258 HZ PHE 44 HZ PHE 44 -9.801 2.621 -8.258 259 H THR 45 HN THR 45 -10.140 4.795 -0.429 260 HA THR 45 HA THR 45 -8.201 6.246 1.123 261 HB THR 45 HB THR 45 -9.564 5.225 3.062 262 HG1 THR 45 HG1 THR 45 -10.874 3.724 2.442 263 1HG2 THR 45 HG21 THR 45 -11.515 6.678 1.427 264 2HG2 THR 45 HG22 THR 45 -9.970 7.493 1.666 265 3HG2 THR 45 HG23 THR 45 -10.930 6.997 3.060 266 H MET 46 HN MET 46 -6.853 5.327 2.757 267 HA MET 46 HA MET 46 -5.205 3.325 2.039 268 1HB MET 46 HB2 MET 46 -5.473 4.918 4.257 269 2HB MET 46 HB1 MET 46 -5.663 3.302 4.927 270 1HG MET 46 HG2 MET 46 -3.396 3.597 5.069 271 2HG MET 46 HG1 MET 46 -3.560 2.762 3.526 272 1HE MET 46 HE1 MET 46 -2.993 3.392 1.496 273 2HE MET 46 HE2 MET 46 -1.336 3.732 1.999 274 3HE MET 46 HE3 MET 46 -2.194 4.873 0.963 275 H LYS 47 HN LYS 47 -8.348 2.899 3.522 276 HA LYS 47 HA LYS 47 -7.952 0.141 4.173 277 1HB LYS 47 HB2 LYS 47 -9.773 1.973 4.947 278 2HB LYS 47 HB1 LYS 47 -10.705 1.131 3.717 279 1HG LYS 47 HG2 LYS 47 -11.134 0.181 5.891 280 2HG LYS 47 HG1 LYS 47 -10.294 -0.990 4.872 281 1HD LYS 47 HD2 LYS 47 -8.605 0.763 6.553 282 2HD LYS 47 HD1 LYS 47 -9.566 -0.454 7.393 283 1HE LYS 47 HE2 LYS 47 -8.483 -1.808 5.231 284 2HE LYS 47 HE1 LYS 47 -7.179 -0.759 5.785 285 1HZ LYS 47 HZ1 LYS 47 -6.983 -1.873 7.723 286 2HZ LYS 47 HZ2 LYS 47 -7.653 -3.143 6.828 287 3HZ LYS 47 HZ3 LYS 47 -8.636 -2.214 7.844 288 H GLU 48 HN GLU 48 -9.815 1.791 1.611 289 HA GLU 48 HA GLU 48 -10.478 -0.591 0.235 290 1HB GLU 48 HB2 GLU 48 -10.243 2.101 -1.080 291 2HB GLU 48 HB1 GLU 48 -11.332 0.784 -1.482 292 1HG GLU 48 HG2 GLU 48 -11.875 1.500 1.185 293 2HG GLU 48 HG1 GLU 48 -11.747 2.998 0.265 294 H VAL 49 HN VAL 49 -7.834 1.732 -0.103 295 HA VAL 49 HA VAL 49 -6.693 0.752 -2.459 296 HB VAL 49 HB VAL 49 -5.028 1.743 -0.152 297 1HG1 VAL 49 HG11 VAL 49 -3.415 1.606 -1.670 298 2HG1 VAL 49 HG12 VAL 49 -4.233 2.863 -2.596 299 3HG1 VAL 49 HG13 VAL 49 -4.570 1.164 -2.928 300 1HG2 VAL 49 HG21 VAL 49 -5.799 3.859 -1.940 301 2HG2 VAL 49 HG22 VAL 49 -5.951 3.765 -0.186 302 3HG2 VAL 49 HG23 VAL 49 -7.227 3.121 -1.216 303 H LEU 50 HN LEU 50 -5.704 0.053 0.882 304 HA LEU 50 HA LEU 50 -3.959 -2.049 0.271 305 1HB LEU 50 HB2 LEU 50 -4.677 -0.674 2.522 306 2HB LEU 50 HB1 LEU 50 -5.367 -2.252 2.845 307 HG LEU 50 HG LEU 50 -2.484 -1.869 2.059 308 1HD1 LEU 50 HD11 LEU 50 -3.503 -0.794 4.317 309 2HD1 LEU 50 HD12 LEU 50 -1.858 -1.414 4.170 310 3HD1 LEU 50 HD13 LEU 50 -3.122 -2.424 4.874 311 1HD2 LEU 50 HD21 LEU 50 -2.196 -4.069 3.020 312 2HD2 LEU 50 HD22 LEU 50 -3.443 -4.115 1.775 313 3HD2 LEU 50 HD23 LEU 50 -3.898 -4.120 3.479 314 H TYR 51 HN TYR 51 -7.385 -1.936 0.276 315 HA TYR 51 HA TYR 51 -7.827 -4.717 0.800 316 1HB TYR 51 HB2 TYR 51 -9.571 -3.107 1.312 317 2HB TYR 51 HB1 TYR 51 -9.652 -2.610 -0.373 318 HD1 TYR 51 HD1 TYR 51 -9.777 -5.848 1.503 319 HD2 TYR 51 HD2 TYR 51 -11.508 -3.374 -1.494 320 HE1 TYR 51 HE1 TYR 51 -11.493 -7.560 1.090 321 HE2 TYR 51 HE2 TYR 51 -13.229 -5.079 -1.915 322 HH TYR 51 HH TYR 51 -13.512 -7.523 -1.617 323 H HIS 52 HN HIS 52 -8.246 -2.763 -2.189 324 HA HIS 52 HA HIS 52 -8.589 -5.031 -3.843 325 1HB HIS 52 HB2 HIS 52 -7.480 -2.473 -4.937 326 2HB HIS 52 HB1 HIS 52 -8.633 -3.582 -5.660 327 HD1 HIS 52 HD1 HIS 52 -11.062 -3.590 -4.302 328 HD2 HIS 52 HD2 HIS 52 -8.633 -0.235 -3.972 329 HE1 HIS 52 HE1 HIS 52 -12.583 -1.726 -3.574 330 HE2 HIS 52 HE2 HIS 52 -11.108 0.311 -3.459 331 H LEU 53 HN LEU 53 -5.760 -3.369 -2.673 332 HA LEU 53 HA LEU 53 -3.901 -4.261 -4.566 333 1HB LEU 53 HB2 LEU 53 -3.324 -2.487 -3.082 334 2HB LEU 53 HB1 LEU 53 -3.654 -3.473 -1.669 335 HG LEU 53 HG LEU 53 -1.743 -4.876 -2.181 336 1HD1 LEU 53 HD11 LEU 53 -1.780 -3.314 -4.673 337 2HD1 LEU 53 HD12 LEU 53 -1.246 -4.970 -4.376 338 3HD1 LEU 53 HD13 LEU 53 -0.183 -3.617 -3.986 339 1HD2 LEU 53 HD21 LEU 53 -1.410 -2.958 -0.729 340 2HD2 LEU 53 HD22 LEU 53 -1.096 -1.932 -2.129 341 3HD2 LEU 53 HD23 LEU 53 0.025 -3.230 -1.718 342 H GLY 54 HN GLY 54 -5.069 -5.682 -1.532 343 1HA GLY 54 HA2 GLY 54 -3.329 -7.914 -1.528 344 2HA GLY 54 HA1 GLY 54 -4.873 -7.816 -0.688 345 H GLN 55 HN GLN 55 -6.459 -7.309 -3.003 346 HA GLN 55 HA GLN 55 -6.840 -9.998 -3.906 347 1HB GLN 55 HB2 GLN 55 -8.150 -7.459 -4.897 348 2HB GLN 55 HB1 GLN 55 -8.720 -9.100 -5.167 349 1HG GLN 55 HG2 GLN 55 -8.877 -9.281 -2.630 350 2HG GLN 55 HG1 GLN 55 -8.695 -7.528 -2.617 351 1HE2 GLN 55 HE21 GLN 55 -10.944 -9.414 -1.937 352 2HE2 GLN 55 HE22 GLN 55 -12.300 -8.793 -2.808 353 H TYR 56 HN TYR 56 -5.103 -7.246 -5.027 354 HA TYR 56 HA TYR 56 -5.028 -7.871 -7.791 355 1HB TYR 56 HB2 TYR 56 -4.446 -5.642 -7.128 356 2HB TYR 56 HB1 TYR 56 -3.210 -6.227 -6.021 357 HD1 TYR 56 HD1 TYR 56 -4.053 -5.695 -9.564 358 HD2 TYR 56 HD2 TYR 56 -1.021 -6.800 -6.796 359 HE1 TYR 56 HE1 TYR 56 -2.370 -5.506 -11.344 360 HE2 TYR 56 HE2 TYR 56 0.674 -6.595 -8.562 361 HH TYR 56 HH TYR 56 0.886 -5.309 -10.777 362 H ILE 57 HN ILE 57 -3.119 -8.822 -5.008 363 HA ILE 57 HA ILE 57 -1.031 -10.093 -6.465 364 HB ILE 57 HB ILE 57 -1.897 -10.664 -3.630 365 1HG1 ILE 57 HG12 ILE 57 0.073 -8.616 -4.670 366 2HG1 ILE 57 HG11 ILE 57 -1.497 -8.263 -3.956 367 1HG2 ILE 57 HG21 ILE 57 -0.344 -12.289 -4.701 368 2HG2 ILE 57 HG22 ILE 57 0.333 -11.470 -3.294 369 3HG2 ILE 57 HG23 ILE 57 0.809 -10.973 -4.918 370 1HD1 ILE 57 HD11 ILE 57 0.745 -8.137 -2.570 371 2HD1 ILE 57 HD12 ILE 57 0.412 -9.855 -2.350 372 3HD1 ILE 57 HD13 ILE 57 -0.777 -8.654 -1.844 373 H MET 58 HN MET 58 -3.796 -11.412 -4.624 374 HA MET 58 HA MET 58 -3.394 -14.087 -5.354 375 1HB MET 58 HB2 MET 58 -5.644 -14.494 -4.586 376 2HB MET 58 HB1 MET 58 -4.881 -13.331 -3.511 377 1HG MET 58 HG2 MET 58 -6.769 -12.176 -3.761 378 2HG MET 58 HG1 MET 58 -6.077 -11.688 -5.305 379 1HE MET 58 HE1 MET 58 -9.426 -11.566 -5.306 380 2HE MET 58 HE2 MET 58 -9.292 -12.068 -6.991 381 3HE MET 58 HE3 MET 58 -8.057 -11.029 -6.279 382 H ALA 59 HN ALA 59 -4.881 -11.428 -7.035 383 HA ALA 59 HA ALA 59 -6.190 -13.045 -9.016 384 1HB ALA 59 HB1 ALA 59 -5.669 -10.106 -8.722 385 2HB ALA 59 HB2 ALA 59 -7.207 -10.969 -8.700 386 3HB ALA 59 HB3 ALA 59 -6.327 -10.771 -10.216 387 H LYS 60 HN LYS 60 -3.423 -10.787 -9.159 388 HA LYS 60 HA LYS 60 -2.575 -11.551 -11.727 389 1HB LYS 60 HB2 LYS 60 -1.353 -10.087 -9.433 390 2HB LYS 60 HB1 LYS 60 -0.296 -10.631 -10.727 391 1HG LYS 60 HG2 LYS 60 -1.075 -8.310 -10.995 392 2HG LYS 60 HG1 LYS 60 -1.519 -9.353 -12.346 393 1HD LYS 60 HD2 LYS 60 -3.763 -9.631 -11.262 394 2HD LYS 60 HD1 LYS 60 -3.287 -8.394 -10.100 395 1HE LYS 60 HE2 LYS 60 -4.238 -6.990 -11.579 396 2HE LYS 60 HE1 LYS 60 -2.702 -7.151 -12.429 397 1HZ LYS 60 HZ1 LYS 60 -4.712 -9.167 -13.018 398 2HZ LYS 60 HZ2 LYS 60 -3.628 -8.383 -14.053 399 3HZ LYS 60 HZ3 LYS 60 -5.050 -7.604 -13.570 400 H GLN 61 HN GLN 61 -2.118 -12.973 -8.602 401 HA GLN 61 HA GLN 61 -1.222 -14.956 -7.949 402 1HB GLN 61 HB2 GLN 61 -2.204 -15.751 -10.143 403 2HB GLN 61 HB1 GLN 61 -0.613 -15.511 -10.852 404 1HG GLN 61 HG2 GLN 61 -0.062 -17.551 -10.214 405 2HG GLN 61 HG1 GLN 61 -0.210 -17.038 -8.535 406 1HE2 GLN 61 HE21 GLN 61 -2.971 -16.597 -8.469 407 2HE2 GLN 61 HE22 GLN 61 -3.772 -18.122 -8.605 408 H LEU 62 HN LEU 62 0.393 -13.303 -7.156 409 HA LEU 62 HA LEU 62 3.025 -13.771 -8.395 410 1HB LEU 62 HB2 LEU 62 2.410 -11.510 -6.520 411 2HB LEU 62 HB1 LEU 62 3.748 -11.664 -7.643 412 HG LEU 62 HG LEU 62 0.866 -11.269 -8.451 413 1HD1 LEU 62 HD11 LEU 62 1.621 -9.278 -7.375 414 2HD1 LEU 62 HD12 LEU 62 1.667 -9.001 -9.116 415 3HD1 LEU 62 HD13 LEU 62 3.160 -9.331 -8.236 416 1HD2 LEU 62 HD21 LEU 62 2.454 -12.492 -10.024 417 2HD2 LEU 62 HD22 LEU 62 3.320 -10.961 -10.157 418 3HD2 LEU 62 HD23 LEU 62 1.634 -11.068 -10.661 419 H TYR 63 HN TYR 63 1.189 -14.831 -5.910 420 HA TYR 63 HA TYR 63 3.133 -14.741 -3.789 421 1HB TYR 63 HB2 TYR 63 1.521 -16.276 -2.632 422 2HB TYR 63 HB1 TYR 63 0.814 -14.753 -3.161 423 HD1 TYR 63 HD1 TYR 63 1.235 -18.294 -4.252 424 HD2 TYR 63 HD2 TYR 63 -1.153 -14.775 -4.397 425 HE1 TYR 63 HE1 TYR 63 -0.503 -19.532 -5.473 426 HE2 TYR 63 HE2 TYR 63 -2.898 -16.004 -5.621 427 HH TYR 63 HH TYR 63 -2.864 -19.417 -5.938 428 H ASP 64 HN ASP 64 4.117 -16.620 -2.830 429 HA ASP 64 HA ASP 64 5.108 -18.449 -4.837 430 1HB ASP 64 HB2 ASP 64 6.642 -17.455 -3.186 431 2HB ASP 64 HB1 ASP 64 5.755 -18.245 -1.887 432 H GLU 65 HN GLU 65 4.768 -20.629 -4.947 433 HA GLU 65 HA GLU 65 2.327 -21.645 -3.968 434 1HB GLU 65 HB2 GLU 65 4.612 -22.684 -5.525 435 2HB GLU 65 HB1 GLU 65 3.681 -23.895 -4.655 436 1HG GLU 65 HG2 GLU 65 2.104 -21.935 -6.177 437 2HG GLU 65 HG1 GLU 65 3.100 -23.030 -7.135 438 H LYS 66 HN LYS 66 5.692 -22.317 -3.021 439 HA LYS 66 HA LYS 66 5.156 -24.187 -1.020 440 1HB LYS 66 HB2 LYS 66 7.409 -22.199 -1.312 441 2HB LYS 66 HB1 LYS 66 7.373 -23.433 -0.060 442 1HG LYS 66 HG2 LYS 66 7.563 -25.176 -1.616 443 2HG LYS 66 HG1 LYS 66 7.150 -24.123 -2.970 444 1HD LYS 66 HD2 LYS 66 9.406 -24.180 -3.257 445 2HD LYS 66 HD1 LYS 66 9.319 -22.838 -2.114 446 1HE LYS 66 HE2 LYS 66 9.746 -24.390 -0.268 447 2HE LYS 66 HE1 LYS 66 9.839 -25.726 -1.414 448 1HZ LYS 66 HZ1 LYS 66 11.969 -24.429 -0.574 449 2HZ LYS 66 HZ2 LYS 66 11.590 -23.444 -1.895 450 3HZ LYS 66 HZ3 LYS 66 11.875 -25.094 -2.127 451 H GLN 67 HN GLN 67 5.585 -20.667 -0.753 452 HA GLN 67 HA GLN 67 4.110 -20.776 1.795 453 1HB GLN 67 HB2 GLN 67 5.516 -18.548 2.186 454 2HB GLN 67 HB1 GLN 67 6.130 -20.130 2.644 455 1HG GLN 67 HG2 GLN 67 6.732 -18.935 -0.036 456 2HG GLN 67 HG1 GLN 67 7.688 -18.542 1.391 457 1HE2 GLN 67 HE21 GLN 67 9.195 -19.563 -0.368 458 2HE2 GLN 67 HE22 GLN 67 9.515 -21.246 -0.142 459 H GLN 68 HN GLN 68 2.273 -19.678 1.763 460 HA GLN 68 HA GLN 68 1.590 -18.032 -0.487 461 1HB GLN 68 HB2 GLN 68 0.152 -18.979 1.963 462 2HB GLN 68 HB1 GLN 68 -0.536 -17.681 0.997 463 1HG GLN 68 HG2 GLN 68 -1.551 -19.505 0.070 464 2HG GLN 68 HG1 GLN 68 -0.146 -19.334 -0.982 465 1HE2 GLN 68 HE21 GLN 68 0.999 -21.092 -1.330 466 2HE2 GLN 68 HE22 GLN 68 1.023 -22.506 -0.337 467 H HIS 69 HN HIS 69 2.978 -17.458 2.587 468 HA HIS 69 HA HIS 69 2.070 -14.709 2.737 469 1HB HIS 69 HB2 HIS 69 3.155 -14.603 4.847 470 2HB HIS 69 HB1 HIS 69 2.410 -16.194 4.759 471 HD1 HIS 69 HD1 HIS 69 4.078 -18.221 4.255 472 HD2 HIS 69 HD2 HIS 69 5.864 -14.610 5.271 473 HE1 HIS 69 HE1 HIS 69 6.446 -18.794 4.877 474 HE2 HIS 69 HE2 HIS 69 7.484 -16.604 5.566 475 H ILE 70 HN ILE 70 4.142 -16.061 0.725 476 HA ILE 70 HA ILE 70 6.044 -13.815 0.860 477 HB ILE 70 HB ILE 70 6.589 -16.587 -0.215 478 1HG1 ILE 70 HG12 ILE 70 6.539 -16.671 2.185 479 2HG1 ILE 70 HG11 ILE 70 8.227 -16.674 1.686 480 1HG2 ILE 70 HG21 ILE 70 9.008 -15.432 0.006 481 2HG2 ILE 70 HG22 ILE 70 8.030 -14.021 -0.396 482 3HG2 ILE 70 HG23 ILE 70 8.051 -15.416 -1.475 483 1HD1 ILE 70 HD11 ILE 70 8.029 -14.097 2.049 484 2HD1 ILE 70 HD12 ILE 70 8.273 -15.184 3.416 485 3HD1 ILE 70 HD13 ILE 70 6.663 -14.556 3.065 486 H VAL 71 HN VAL 71 6.287 -12.600 -0.924 487 HA VAL 71 HA VAL 71 4.966 -13.498 -3.400 488 HB VAL 71 HB VAL 71 5.013 -10.638 -2.439 489 1HG1 VAL 71 HG11 VAL 71 4.823 -11.126 -4.899 490 2HG1 VAL 71 HG12 VAL 71 3.494 -10.195 -4.208 491 3HG1 VAL 71 HG13 VAL 71 3.284 -11.913 -4.547 492 1HG2 VAL 71 HG21 VAL 71 3.529 -11.392 -0.903 493 2HG2 VAL 71 HG22 VAL 71 3.144 -12.845 -1.827 494 3HG2 VAL 71 HG23 VAL 71 2.416 -11.301 -2.269 495 H HIS 72 HN HIS 72 6.666 -13.963 -4.692 496 HA HIS 72 HA HIS 72 8.654 -11.828 -5.084 497 1HB HIS 72 HB2 HIS 72 10.398 -13.489 -5.403 498 2HB HIS 72 HB1 HIS 72 9.645 -13.713 -3.828 499 HD1 HIS 72 HD1 HIS 72 7.545 -15.614 -4.026 500 HD2 HIS 72 HD2 HIS 72 10.746 -15.839 -6.665 501 HE1 HIS 72 HE1 HIS 72 7.528 -17.970 -4.904 502 HE2 HIS 72 HE2 HIS 72 9.423 -18.059 -6.561 503 H CYS 73 HN CYS 73 7.889 -10.975 -6.937 504 HA CYS 73 HA CYS 73 7.844 -12.745 -9.283 505 1HB CYS 73 HB2 CYS 73 5.669 -11.158 -8.217 506 2HB CYS 73 HB1 CYS 73 6.077 -10.639 -9.849 507 HG CYS 73 HG CYS 73 5.163 -12.740 -10.772 508 H SER 74 HN SER 74 9.730 -12.160 -10.233 509 HA SER 74 HA SER 74 10.850 -9.588 -10.138 510 1HB SER 74 HB2 SER 74 11.361 -11.595 -12.335 511 2HB SER 74 HB1 SER 74 12.463 -10.364 -11.718 512 HG SER 74 HG SER 74 13.142 -11.872 -10.435 513 H ASN 75 HN ASN 75 8.932 -11.137 -12.715 514 HA ASN 75 HA ASN 75 8.797 -8.494 -13.981 515 1HB ASN 75 HB2 ASN 75 8.429 -11.289 -14.932 516 2HB ASN 75 HB1 ASN 75 7.429 -10.054 -15.691 517 1HD2 ASN 75 HD21 ASN 75 9.253 -11.461 -17.151 518 2HD2 ASN 75 HD22 ASN 75 10.549 -10.423 -17.627 519 H ASP 76 HN ASP 76 7.409 -7.457 -12.631 520 HA ASP 76 HA ASP 76 4.618 -7.990 -13.066 521 1HB ASP 76 HB2 ASP 76 5.150 -9.540 -11.194 522 2HB ASP 76 HB1 ASP 76 5.649 -8.154 -10.228 523 HA PRO 77 HA PRO 77 4.542 -3.579 -12.781 524 1HB PRO 77 HB2 PRO 77 1.788 -3.815 -11.758 525 2HB PRO 77 HB1 PRO 77 2.385 -3.028 -13.216 526 1HG PRO 77 HG2 PRO 77 0.995 -5.349 -13.253 527 2HG PRO 77 HG1 PRO 77 2.186 -4.900 -14.483 528 1HD PRO 77 HD2 PRO 77 2.390 -6.873 -12.287 529 2HD PRO 77 HD1 PRO 77 3.199 -6.828 -13.861 530 H LEU 78 HN LEU 78 3.711 -5.676 -10.140 531 HA LEU 78 HA LEU 78 3.573 -3.602 -8.156 532 1HB LEU 78 HB2 LEU 78 2.429 -5.864 -8.035 533 2HB LEU 78 HB1 LEU 78 4.005 -6.548 -7.687 534 HG LEU 78 HG LEU 78 4.134 -5.045 -5.682 535 1HD1 LEU 78 HD11 LEU 78 2.581 -3.332 -6.307 536 2HD1 LEU 78 HD12 LEU 78 1.973 -4.136 -4.860 537 3HD1 LEU 78 HD13 LEU 78 1.268 -4.503 -6.434 538 1HD2 LEU 78 HD21 LEU 78 2.978 -6.528 -4.322 539 2HD2 LEU 78 HD22 LEU 78 3.282 -7.482 -5.773 540 3HD2 LEU 78 HD23 LEU 78 1.692 -6.768 -5.505 541 H GLY 79 HN GLY 79 5.942 -6.078 -9.095 542 1HA GLY 79 HA2 GLY 79 7.899 -5.462 -7.183 543 2HA GLY 79 HA1 GLY 79 8.206 -6.219 -8.741 544 H GLU 80 HN GLU 80 7.291 -4.117 -10.391 545 HA GLU 80 HA GLU 80 9.618 -2.478 -10.429 546 1HB GLU 80 HB2 GLU 80 8.834 -1.651 -12.465 547 2HB GLU 80 HB1 GLU 80 8.147 -3.268 -12.409 548 1HG GLU 80 HG2 GLU 80 6.013 -2.367 -11.712 549 2HG GLU 80 HG1 GLU 80 6.689 -0.741 -11.679 550 H LEU 81 HN LEU 81 6.412 -2.153 -9.146 551 HA LEU 81 HA LEU 81 6.404 0.675 -8.845 552 1HB LEU 81 HB2 LEU 81 4.351 -0.672 -8.850 553 2HB LEU 81 HB1 LEU 81 4.853 -1.450 -7.362 554 HG LEU 81 HG LEU 81 4.804 0.844 -6.284 555 1HD1 LEU 81 HD11 LEU 81 3.336 1.513 -8.830 556 2HD1 LEU 81 HD12 LEU 81 4.878 2.187 -8.302 557 3HD1 LEU 81 HD13 LEU 81 3.408 2.529 -7.390 558 1HD2 LEU 81 HD21 LEU 81 3.022 -0.969 -6.154 559 2HD2 LEU 81 HD22 LEU 81 2.129 -0.020 -7.343 560 3HD2 LEU 81 HD23 LEU 81 2.518 0.677 -5.770 561 H PHE 82 HN PHE 82 6.704 -1.904 -6.396 562 HA PHE 82 HA PHE 82 7.616 -0.142 -4.368 563 1HB PHE 82 HB2 PHE 82 7.898 -3.150 -4.538 564 2HB PHE 82 HB1 PHE 82 8.084 -2.176 -3.084 565 HD1 PHE 82 HD1 PHE 82 5.794 -0.312 -3.411 566 HD2 PHE 82 HD2 PHE 82 6.082 -4.513 -4.028 567 HE1 PHE 82 HE1 PHE 82 3.390 -0.541 -2.951 568 HE2 PHE 82 HE2 PHE 82 3.676 -4.749 -3.569 569 HZ PHE 82 HZ PHE 82 2.327 -2.760 -3.029 570 H GLY 83 HN GLY 83 9.211 -1.927 -6.887 571 1HA GLY 83 HA2 GLY 83 11.378 -1.500 -7.669 572 2HA GLY 83 HA1 GLY 83 11.725 -0.642 -6.175 573 H VAL 84 HN VAL 84 10.303 -3.821 -6.131 574 HA VAL 84 HA VAL 84 12.907 -5.016 -5.492 575 HB VAL 84 HB VAL 84 11.906 -6.249 -3.600 576 1HG1 VAL 84 HG11 VAL 84 13.099 -4.527 -2.726 577 2HG1 VAL 84 HG12 VAL 84 11.496 -4.023 -2.193 578 3HG1 VAL 84 HG13 VAL 84 12.212 -3.304 -3.635 579 1HG2 VAL 84 HG21 VAL 84 9.745 -4.990 -2.715 580 2HG2 VAL 84 HG22 VAL 84 9.640 -6.364 -3.816 581 3HG2 VAL 84 HG23 VAL 84 9.504 -4.720 -4.441 582 H GLN 85 HN GLN 85 12.703 -7.463 -5.323 583 HA GLN 85 HA GLN 85 10.918 -8.393 -7.470 584 1HB GLN 85 HB2 GLN 85 13.462 -9.689 -6.478 585 2HB GLN 85 HB1 GLN 85 12.519 -10.162 -7.885 586 1HG GLN 85 HG2 GLN 85 14.103 -7.632 -7.520 587 2HG GLN 85 HG1 GLN 85 14.448 -8.966 -8.620 588 1HE2 GLN 85 HE21 GLN 85 13.479 -9.029 -10.574 589 2HE2 GLN 85 HE22 GLN 85 12.388 -7.824 -11.159 590 H GLU 86 HN GLU 86 11.919 -8.919 -4.173 591 HA GLU 86 HA GLU 86 9.678 -10.760 -3.823 592 1HB GLU 86 HB2 GLU 86 11.025 -12.332 -2.524 593 2HB GLU 86 HB1 GLU 86 11.634 -12.198 -4.168 594 1HG GLU 86 HG2 GLU 86 13.441 -10.789 -3.436 595 2HG GLU 86 HG1 GLU 86 12.794 -10.754 -1.797 596 H PHE 87 HN PHE 87 8.687 -10.624 -1.852 597 HA PHE 87 HA PHE 87 9.910 -9.312 0.387 598 1HB PHE 87 HB2 PHE 87 8.467 -7.387 0.508 599 2HB PHE 87 HB1 PHE 87 9.247 -7.390 -1.070 600 HD1 PHE 87 HD1 PHE 87 6.117 -7.566 0.725 601 HD2 PHE 87 HD2 PHE 87 7.960 -8.039 -3.080 602 HE1 PHE 87 HE1 PHE 87 3.911 -7.428 -0.355 603 HE2 PHE 87 HE2 PHE 87 5.758 -7.901 -4.169 604 HZ PHE 87 HZ PHE 87 3.730 -7.594 -2.806 605 H SER 88 HN SER 88 9.013 -10.006 2.240 606 HA SER 88 HA SER 88 6.813 -11.868 2.086 607 1HB SER 88 HB2 SER 88 7.846 -11.023 4.736 608 2HB SER 88 HB1 SER 88 7.516 -12.641 4.117 609 HG SER 88 HG SER 88 9.446 -12.332 2.796 610 H VAL 89 HN VAL 89 4.793 -11.650 3.047 611 HA VAL 89 HA VAL 89 3.923 -8.898 3.387 612 HB VAL 89 HB VAL 89 1.624 -10.065 3.678 613 1HG1 VAL 89 HG11 VAL 89 3.214 -9.865 1.146 614 2HG1 VAL 89 HG12 VAL 89 1.966 -8.783 1.763 615 3HG1 VAL 89 HG13 VAL 89 1.525 -10.371 1.135 616 1HG2 VAL 89 HG21 VAL 89 2.798 -12.334 3.928 617 2HG2 VAL 89 HG22 VAL 89 2.978 -12.278 2.174 618 3HG2 VAL 89 HG23 VAL 89 1.370 -12.250 2.896 619 H LYS 90 HN LYS 90 5.436 -10.740 5.440 620 HA LYS 90 HA LYS 90 3.639 -10.833 7.673 621 1HB LYS 90 HB2 LYS 90 5.670 -12.344 7.247 622 2HB LYS 90 HB1 LYS 90 6.644 -10.998 7.823 623 1HG LYS 90 HG2 LYS 90 5.291 -11.047 9.934 624 2HG LYS 90 HG1 LYS 90 4.568 -12.547 9.349 625 1HD LYS 90 HD2 LYS 90 7.531 -12.357 9.352 626 2HD LYS 90 HD1 LYS 90 6.721 -12.521 10.912 627 1HE LYS 90 HE2 LYS 90 5.846 -14.338 8.744 628 2HE LYS 90 HE1 LYS 90 7.450 -14.618 9.421 629 1HZ LYS 90 HZ1 LYS 90 6.276 -15.827 10.892 630 2HZ LYS 90 HZ2 LYS 90 4.836 -14.977 10.637 631 3HZ LYS 90 HZ3 LYS 90 6.031 -14.331 11.645 632 H GLU 91 HN GLU 91 6.160 -8.672 6.519 633 HA GLU 91 HA GLU 91 6.013 -6.993 8.872 634 1HB GLU 91 HB2 GLU 91 7.500 -6.681 6.259 635 2HB GLU 91 HB1 GLU 91 7.611 -5.547 7.598 636 1HG GLU 91 HG2 GLU 91 8.234 -8.449 7.976 637 2HG GLU 91 HG1 GLU 91 9.435 -7.329 7.335 638 H HIS 92 HN HIS 92 3.659 -6.673 8.578 639 HA HIS 92 HA HIS 92 2.455 -5.375 6.456 640 1HB HIS 92 HB2 HIS 92 1.869 -5.374 9.408 641 2HB HIS 92 HB1 HIS 92 0.864 -4.476 8.275 642 HD1 HIS 92 HD1 HIS 92 -0.549 -6.620 9.746 643 HD2 HIS 92 HD2 HIS 92 1.512 -7.381 6.218 644 HE1 HIS 92 HE1 HIS 92 -1.550 -8.735 8.826 645 HE2 HIS 92 HE2 HIS 92 -0.226 -9.224 6.739 646 H ARG 93 HN ARG 93 4.536 -4.080 8.923 647 HA ARG 93 HA ARG 93 3.835 -1.349 8.616 648 1HB ARG 93 HB2 ARG 93 5.944 -0.890 9.798 649 2HB ARG 93 HB1 ARG 93 5.000 -2.137 10.600 650 1HG ARG 93 HG2 ARG 93 6.479 -3.765 9.211 651 2HG ARG 93 HG1 ARG 93 7.560 -2.376 9.094 652 1HD ARG 93 HD2 ARG 93 8.317 -3.508 10.984 653 2HD ARG 93 HD1 ARG 93 7.313 -2.220 11.644 654 HE ARG 93 HE ARG 93 6.695 -5.075 11.596 655 1HH1 ARG 93 HH11 ARG 93 5.706 -1.828 12.436 656 2HH1 ARG 93 HH12 ARG 93 4.462 -2.359 13.515 657 1HH2 ARG 93 HH21 ARG 93 5.058 -5.763 13.013 658 2HH2 ARG 93 HH22 ARG 93 4.093 -4.588 13.843 659 H ARG 94 HN ARG 94 6.119 -3.467 6.998 660 HA ARG 94 HA ARG 94 7.522 -1.419 5.613 661 1HB ARG 94 HB2 ARG 94 7.744 -4.204 5.914 662 2HB ARG 94 HB1 ARG 94 7.524 -3.932 4.191 663 1HG ARG 94 HG2 ARG 94 9.366 -2.057 4.697 664 2HG ARG 94 HG1 ARG 94 9.780 -3.226 5.953 665 1HD ARG 94 HD2 ARG 94 9.297 -4.268 3.220 666 2HD ARG 94 HD1 ARG 94 10.780 -3.351 3.486 667 HE ARG 94 HE ARG 94 10.722 -5.147 5.536 668 1HH1 ARG 94 HH11 ARG 94 10.567 -5.401 2.058 669 2HH1 ARG 94 HH12 ARG 94 11.320 -6.959 2.014 670 1HH2 ARG 94 HH21 ARG 94 11.713 -7.197 5.478 671 2HH2 ARG 94 HH22 ARG 94 11.970 -7.980 3.955 672 H ILE 95 HN ILE 95 5.016 -3.721 4.549 673 HA ILE 95 HA ILE 95 4.707 -2.830 1.945 674 HB ILE 95 HB ILE 95 2.498 -3.836 3.741 675 1HG1 ILE 95 HG12 ILE 95 4.495 -5.315 2.015 676 2HG1 ILE 95 HG11 ILE 95 4.362 -5.389 3.769 677 1HG2 ILE 95 HG21 ILE 95 1.702 -2.820 1.661 678 2HG2 ILE 95 HG22 ILE 95 1.439 -4.564 1.668 679 3HG2 ILE 95 HG23 ILE 95 2.770 -3.876 0.736 680 1HD1 ILE 95 HD11 ILE 95 3.200 -7.098 1.929 681 2HD1 ILE 95 HD12 ILE 95 1.872 -6.089 2.503 682 3HD1 ILE 95 HD13 ILE 95 2.850 -6.998 3.655 683 H TYR 96 HN TYR 96 2.822 -1.815 4.801 684 HA TYR 96 HA TYR 96 1.204 0.076 3.603 685 1HB TYR 96 HB2 TYR 96 1.083 -0.723 5.985 686 2HB TYR 96 HB1 TYR 96 2.430 0.349 6.353 687 HD1 TYR 96 HD1 TYR 96 2.128 2.808 6.180 688 HD2 TYR 96 HD2 TYR 96 -1.137 0.112 5.754 689 HE1 TYR 96 HE1 TYR 96 0.558 4.659 6.569 690 HE2 TYR 96 HE2 TYR 96 -2.717 1.958 6.142 691 HH TYR 96 HH TYR 96 -2.006 5.077 5.869 692 H ALA 97 HN ALA 97 4.552 0.346 4.628 693 HA ALA 97 HA ALA 97 4.702 3.180 4.147 694 1HB ALA 97 HB1 ALA 97 6.786 1.086 4.725 695 2HB ALA 97 HB2 ALA 97 6.164 2.331 5.809 696 3HB ALA 97 HB3 ALA 97 7.178 2.781 4.438 697 H MET 98 HN MET 98 5.488 0.230 2.411 698 HA MET 98 HA MET 98 6.984 1.319 0.312 699 1HB MET 98 HB2 MET 98 5.144 -1.080 0.367 700 2HB MET 98 HB1 MET 98 6.210 -0.696 -0.976 701 1HG MET 98 HG2 MET 98 7.946 -0.645 1.109 702 2HG MET 98 HG1 MET 98 6.808 -1.886 1.629 703 1HE MET 98 HE1 MET 98 6.291 -4.149 0.075 704 2HE MET 98 HE2 MET 98 6.914 -4.248 -1.571 705 3HE MET 98 HE3 MET 98 5.809 -2.949 -1.124 706 H ILE 99 HN ILE 99 3.569 0.312 0.136 707 HA ILE 99 HA ILE 99 2.947 1.551 -2.264 708 HB ILE 99 HB ILE 99 0.569 1.569 -1.424 709 1HG1 ILE 99 HG12 ILE 99 0.622 -0.045 0.779 710 2HG1 ILE 99 HG11 ILE 99 2.009 0.995 1.085 711 1HG2 ILE 99 HG21 ILE 99 1.380 -0.318 -2.649 712 2HG2 ILE 99 HG22 ILE 99 0.426 -0.915 -1.291 713 3HG2 ILE 99 HG23 ILE 99 2.188 -0.963 -1.221 714 1HD1 ILE 99 HD11 ILE 99 0.216 2.853 0.406 715 2HD1 ILE 99 HD12 ILE 99 0.435 2.273 2.057 716 3HD1 ILE 99 HD13 ILE 99 -0.867 1.624 1.060 717 H SER 100 HN SER 100 2.980 2.869 0.997 718 HA SER 100 HA SER 100 1.623 5.256 0.572 719 1HB SER 100 HB2 SER 100 2.300 4.453 2.799 720 2HB SER 100 HB1 SER 100 3.987 4.780 2.402 721 HG SER 100 HG SER 100 1.894 6.568 2.924 722 H ARG 101 HN ARG 101 5.091 4.568 0.212 723 HA ARG 101 HA ARG 101 5.918 7.136 -0.498 724 1HB ARG 101 HB2 ARG 101 7.018 4.424 -1.230 725 2HB ARG 101 HB1 ARG 101 7.821 5.928 -1.658 726 1HG ARG 101 HG2 ARG 101 7.926 6.505 0.747 727 2HG ARG 101 HG1 ARG 101 7.237 4.923 1.118 728 1HD ARG 101 HD2 ARG 101 9.388 4.282 1.254 729 2HD ARG 101 HD1 ARG 101 9.288 4.219 -0.505 730 HE ARG 101 HE ARG 101 9.992 6.815 0.182 731 1HH1 ARG 101 HH11 ARG 101 11.337 3.607 0.465 732 2HH1 ARG 101 HH12 ARG 101 12.979 4.155 0.410 733 1HH2 ARG 101 HH21 ARG 101 12.151 7.537 0.109 734 2HH2 ARG 101 HH22 ARG 101 13.441 6.386 0.209 735 H ASN 102 HN ASN 102 4.241 4.718 -2.337 736 HA ASN 102 HA ASN 102 4.717 6.154 -4.839 737 1HB ASN 102 HB2 ASN 102 3.816 3.420 -4.119 738 2HB ASN 102 HB1 ASN 102 3.129 4.111 -5.585 739 1HD2 ASN 102 HD21 ASN 102 6.177 3.383 -3.961 740 2HD2 ASN 102 HD22 ASN 102 7.102 3.190 -5.407 741 H LEU 103 HN LEU 103 3.233 7.606 -3.014 742 HA LEU 103 HA LEU 103 0.580 7.603 -4.294 743 1HB LEU 103 HB2 LEU 103 1.106 8.341 -1.418 744 2HB LEU 103 HB1 LEU 103 -0.453 8.253 -2.216 745 HG LEU 103 HG LEU 103 1.361 5.937 -1.552 746 1HD1 LEU 103 HD11 LEU 103 -0.613 5.253 -0.180 747 2HD1 LEU 103 HD12 LEU 103 -1.306 6.843 -0.499 748 3HD1 LEU 103 HD13 LEU 103 0.212 6.705 0.387 749 1HD2 LEU 103 HD21 LEU 103 0.425 5.033 -3.394 750 2HD2 LEU 103 HD22 LEU 103 -0.905 6.191 -3.416 751 3HD2 LEU 103 HD23 LEU 103 -0.959 4.807 -2.325 752 H VAL 104 HN VAL 104 0.430 9.369 -5.512 753 HA VAL 104 HA VAL 104 2.093 11.629 -5.246 754 HB VAL 104 HB VAL 104 0.535 12.731 -6.852 755 1HG1 VAL 104 HG11 VAL 104 1.305 9.925 -7.639 756 2HG1 VAL 104 HG12 VAL 104 2.416 11.293 -7.572 757 3HG1 VAL 104 HG13 VAL 104 1.073 11.303 -8.715 758 1HG2 VAL 104 HG21 VAL 104 -1.147 10.993 -7.869 759 2HG2 VAL 104 HG22 VAL 104 -1.603 11.974 -6.476 760 3HG2 VAL 104 HG23 VAL 104 -1.089 10.303 -6.248 761 H SER 105 HN SER 105 -1.373 11.224 -4.506 762 HA SER 105 HA SER 105 -1.214 13.619 -2.809 763 1HB SER 105 HB2 SER 105 -2.900 13.503 -4.747 764 2HB SER 105 HB1 SER 105 -3.769 12.329 -3.758 765 HG SER 105 HG SER 105 -4.618 14.021 -2.855 766 H ALA 106 HN ALA 106 -0.609 12.871 -0.837 767 HA ALA 106 HA ALA 106 -2.165 10.642 0.300 768 1HB ALA 106 HB1 ALA 106 -0.049 9.846 0.498 769 2HB ALA 106 HB2 ALA 106 -0.112 10.782 1.991 770 3HB ALA 106 HB3 ALA 106 0.670 11.455 0.561 771 H ASN 107 HN ASN 107 -3.826 11.500 1.405 772 HA ASN 107 HA ASN 107 -3.457 13.939 2.950 773 1HB ASN 107 HB2 ASN 107 -5.945 12.245 2.647 774 2HB ASN 107 HB1 ASN 107 -5.856 13.883 3.287 775 1HD2 ASN 107 HD21 ASN 107 -4.564 15.359 1.643 776 2HD2 ASN 107 HD22 ASN 107 -5.183 15.304 0.031 777 H VAL 108 HN VAL 108 -2.319 13.534 4.771 778 HA VAL 108 HA VAL 108 -3.427 11.516 6.605 779 HB VAL 108 HB VAL 108 -1.116 11.002 5.534 780 1HG1 VAL 108 HG11 VAL 108 -0.163 13.241 5.981 781 2HG1 VAL 108 HG12 VAL 108 0.798 11.932 6.671 782 3HG1 VAL 108 HG13 VAL 108 -0.249 12.900 7.710 783 1HG2 VAL 108 HG21 VAL 108 -2.353 10.139 7.754 784 2HG2 VAL 108 HG22 VAL 108 -0.887 10.809 8.470 785 3HG2 VAL 108 HG23 VAL 108 -0.771 9.556 7.235 786 H LYS 109 HN LYS 109 -3.030 11.949 8.890 787 HA LYS 109 HA LYS 109 -3.617 14.666 9.538 788 1HB LYS 109 HB2 LYS 109 -3.399 12.102 11.008 789 2HB LYS 109 HB1 LYS 109 -3.138 13.562 11.951 790 1HG LYS 109 HG2 LYS 109 -5.350 14.363 10.873 791 2HG LYS 109 HG1 LYS 109 -5.598 12.651 10.524 792 1HD LYS 109 HD2 LYS 109 -5.741 12.081 12.759 793 2HD LYS 109 HD1 LYS 109 -4.833 13.500 13.284 794 1HE LYS 109 HE2 LYS 109 -7.451 13.928 11.944 795 2HE LYS 109 HE1 LYS 109 -7.458 13.318 13.598 796 1HZ LYS 109 HZ1 LYS 109 -5.719 15.315 13.819 797 2HZ LYS 109 HZ2 LYS 109 -7.380 15.500 14.078 798 3HZ LYS 109 HZ3 LYS 109 -6.704 15.934 12.590 799 H GLU 110 HN GLU 110 -2.245 16.262 9.959 800 HA GLU 110 HA GLU 110 0.365 15.676 11.122 801 1HB GLU 110 HB2 GLU 110 1.437 17.239 9.437 802 2HB GLU 110 HB1 GLU 110 0.968 15.656 8.833 803 1HG GLU 110 HG2 GLU 110 0.000 16.769 7.170 804 2HG GLU 110 HG1 GLU 110 -1.266 17.149 8.337 805 H SER 111 HN SER 111 0.192 16.824 12.945 806 HA SER 111 HA SER 111 -1.245 19.296 13.094 807 1HB SER 111 HB2 SER 111 -0.106 19.330 15.436 808 2HB SER 111 HB1 SER 111 -1.314 18.091 15.094 809 HG SER 111 HG SER 111 0.185 16.598 15.169 810 H SER 112 HN SER 112 -0.467 21.366 13.262 811 HA SER 112 HA SER 112 2.146 21.828 12.125 812 1HB SER 112 HB2 SER 112 1.496 24.176 12.077 813 2HB SER 112 HB1 SER 112 0.178 23.184 11.455 814 HG SER 112 HG SER 112 -0.754 24.569 12.875 815 H GLU 113 HN GLU 113 3.934 21.979 13.292 816 HA GLU 113 HA GLU 113 3.714 22.776 16.115 817 1HB GLU 113 HB2 GLU 113 6.160 21.754 16.076 818 2HB GLU 113 HB1 GLU 113 4.740 20.738 16.267 819 1HG GLU 113 HG2 GLU 113 6.219 19.713 14.697 820 2HG GLU 113 HG1 GLU 113 4.791 20.283 13.836 821 H ASP 114 HN ASP 114 4.583 24.631 16.762 822 HA ASP 114 HA ASP 114 6.411 26.022 14.916 823 1HB ASP 114 HB2 ASP 114 4.321 27.092 16.810 824 2HB ASP 114 HB1 ASP 114 5.579 28.114 16.121 825 H ILE 115 HN ILE 115 8.323 26.786 15.674 826 HA ILE 115 HA ILE 115 8.965 26.218 18.474 827 HB ILE 115 HB ILE 115 10.926 26.485 16.194 828 1HG1 ILE 115 HG12 ILE 115 9.824 23.967 17.462 829 2HG1 ILE 115 HG11 ILE 115 9.445 24.545 15.842 830 1HG2 ILE 115 HG21 ILE 115 12.267 25.099 17.979 831 2HG2 ILE 115 HG22 ILE 115 11.131 25.854 19.096 832 3HG2 ILE 115 HG23 ILE 115 12.169 26.857 18.082 833 1HD1 ILE 115 HD11 ILE 115 11.046 22.975 15.399 834 2HD1 ILE 115 HD12 ILE 115 11.943 23.310 16.880 835 3HD1 ILE 115 HD13 ILE 115 12.034 24.431 15.521 836 H PHE 116 HN PHE 116 8.617 28.054 19.485 837 HA PHE 116 HA PHE 116 9.751 30.540 18.400 838 1HB PHE 116 HB2 PHE 116 7.345 29.932 20.018 839 2HB PHE 116 HB1 PHE 116 8.204 31.410 20.435 840 HD1 PHE 116 HD1 PHE 116 5.622 30.142 18.532 841 HD2 PHE 116 HD2 PHE 116 8.921 32.815 18.245 842 HE1 PHE 116 HE1 PHE 116 4.514 31.304 16.668 843 HE2 PHE 116 HE2 PHE 116 7.819 33.983 16.381 844 HZ PHE 116 HZ PHE 116 5.612 33.228 15.590 845 H GLY 117 HN GLY 117 11.288 28.487 19.791 846 1HA GLY 117 HA2 GLY 117 13.037 28.475 21.286 847 2HA GLY 117 HA1 GLY 117 12.726 30.182 21.568 848 H ASN 118 HN ASN 118 10.435 27.547 22.056 849 HA ASN 118 HA ASN 118 10.086 28.400 24.812 850 1HB ASN 118 HB2 ASN 118 8.531 26.805 22.858 851 2HB ASN 118 HB1 ASN 118 8.355 26.342 24.548 852 1HD2 ASN 118 HD21 ASN 118 6.223 27.289 23.144 853 2HD2 ASN 118 HD22 ASN 118 5.782 28.854 23.728 854 H VAL 119 HN VAL 119 11.174 27.507 26.424 855 HA VAL 119 HA VAL 119 12.189 24.760 26.092 856 HB VAL 119 HB VAL 119 13.905 25.376 27.800 857 1HG1 VAL 119 HG11 VAL 119 15.374 26.239 26.240 858 2HG1 VAL 119 HG12 VAL 119 14.153 27.285 25.514 859 3HG1 VAL 119 HG13 VAL 119 14.117 25.547 25.214 860 1HG2 VAL 119 HG21 VAL 119 12.360 27.454 28.432 861 2HG2 VAL 119 HG22 VAL 119 13.434 28.255 27.285 862 3HG2 VAL 119 HG23 VAL 119 14.103 27.451 28.705 863 H30 IMY 120 1H30 IMY 120 -0.315 -16.011 5.742 864 1H30 IMY 120 2H30 IMY 120 1.316 -15.379 5.289 865 2H30 IMY 120 3H30 IMY 120 0.859 -17.044 4.912 866 H26 IMY 120 H26 IMY 120 -0.034 -13.528 5.493 867 H25 IMY 120 H25 IMY 120 -1.234 -11.454 5.136 868 H31 IMY 120 H31 IMY 120 -2.955 -14.650 0.083 869 1H32 IMY 120 1H32 IMY 120 -3.001 -12.005 -1.511 870 2H32 IMY 120 2H32 IMY 120 -3.222 -13.630 -2.181 871 3H32 IMY 120 3H32 IMY 120 -4.455 -12.908 -1.129 872 1H33 IMY 120 1H33 IMY 120 -0.636 -14.046 0.524 873 2H33 IMY 120 2H33 IMY 120 -0.906 -14.162 -1.222 874 3H33 IMY 120 3H33 IMY 120 -0.780 -12.575 -0.424 875 H28 IMY 120 H28 IMY 120 -1.476 -15.078 1.779 876 H4 IMY 120 H4 IMY 120 -4.135 -8.695 4.176 877 H3 IMY 120 H3 IMY 120 -4.468 -8.370 1.882 878 H18 IMY 120 H18 IMY 120 -1.078 -9.731 0.974 879 H17 IMY 120 H17 IMY 120 0.574 -8.495 -0.321 880 H15 IMY 120 H15 IMY 120 -1.817 -4.978 -0.177 881 H14 IMY 120 H14 IMY 120 -3.520 -6.156 1.161 882 H20 IMY 120 H20 IMY 120 -4.358 -6.119 4.131 883 H21 IMY 120 H21 IMY 120 -3.353 -4.080 5.026 884 H23 IMY 120 H23 IMY 120 0.466 -6.035 5.272 885 H24 IMY 120 H24 IMY 120 -0.537 -8.127 4.523 Start of MODEL 5 1 1H ASN 13 HT1 ASN 13 -21.001 17.901 19.647 2 2H ASN 13 HT2 ASN 13 -21.971 16.501 19.860 3 3H ASN 13 HT3 ASN 13 -22.564 17.827 18.946 4 HA ASN 13 HA ASN 13 -21.944 16.297 17.384 5 1HB ASN 13 HB2 ASN 13 -20.794 18.756 17.533 6 2HB ASN 13 HB1 ASN 13 -19.361 17.738 17.412 7 1HD2 ASN 13 HD21 ASN 13 -19.385 19.194 15.395 8 2HD2 ASN 13 HD22 ASN 13 -20.083 18.488 13.982 9 H HIS 14 HN HIS 14 -21.548 14.195 17.853 10 HA HIS 14 HA HIS 14 -19.397 13.278 19.448 11 1HB HIS 14 HB2 HIS 14 -21.562 12.049 18.950 12 2HB HIS 14 HB1 HIS 14 -20.877 11.656 17.376 13 HD1 HIS 14 HD1 HIS 14 -20.282 9.256 17.496 14 HD2 HIS 14 HD2 HIS 14 -19.160 11.306 20.931 15 HE1 HIS 14 HE1 HIS 14 -19.033 7.584 18.898 16 HE2 HIS 14 HE2 HIS 14 -18.291 8.870 20.934 17 H ILE 15 HN ILE 15 -17.463 12.281 18.876 18 HA ILE 15 HA ILE 15 -15.586 11.854 17.659 19 HB ILE 15 HB ILE 15 -17.258 12.229 15.175 20 1HG1 ILE 15 HG12 ILE 15 -16.886 9.482 15.718 21 2HG1 ILE 15 HG11 ILE 15 -17.441 10.209 17.223 22 1HG2 ILE 15 HG21 ILE 15 -14.795 10.551 15.604 23 2HG2 ILE 15 HG22 ILE 15 -14.768 12.191 14.955 24 3HG2 ILE 15 HG23 ILE 15 -15.603 10.909 14.077 25 1HD1 ILE 15 HD11 ILE 15 -19.410 11.046 16.164 26 2HD1 ILE 15 HD12 ILE 15 -19.253 9.332 15.779 27 3HD1 ILE 15 HD13 ILE 15 -18.825 10.550 14.576 28 H SER 16 HN SER 16 -17.341 14.159 15.577 29 HA SER 16 HA SER 16 -16.746 16.221 14.744 30 1HB SER 16 HB2 SER 16 -16.723 16.543 17.351 31 2HB SER 16 HB1 SER 16 -14.978 16.669 17.125 32 HG SER 16 HG SER 16 -15.481 18.684 16.727 33 H THR 17 HN THR 17 -14.655 17.716 14.462 34 HA THR 17 HA THR 17 -12.668 17.964 13.385 35 HB THR 17 HB THR 17 -11.738 15.374 14.592 36 HG1 THR 17 HG1 THR 17 -12.755 16.430 16.277 37 1HG2 THR 17 HG21 THR 17 -10.471 17.745 13.482 38 2HG2 THR 17 HG22 THR 17 -9.826 16.125 13.745 39 3HG2 THR 17 HG23 THR 17 -9.850 17.290 15.069 40 H SER 18 HN SER 18 -11.139 16.894 11.798 41 HA SER 18 HA SER 18 -12.663 15.616 9.780 42 1HB SER 18 HB2 SER 18 -10.689 15.687 8.452 43 2HB SER 18 HB1 SER 18 -10.645 17.138 9.454 44 HG SER 18 HG SER 18 -8.973 14.958 9.432 45 H ASP 19 HN ASP 19 -13.393 13.603 10.095 46 HA ASP 19 HA ASP 19 -12.016 11.626 11.599 47 1HB ASP 19 HB2 ASP 19 -13.751 10.076 10.588 48 2HB ASP 19 HB1 ASP 19 -14.385 11.448 11.491 49 H GLN 20 HN GLN 20 -11.983 12.560 8.256 50 HA GLN 20 HA GLN 20 -11.063 10.224 7.051 51 1HB GLN 20 HB2 GLN 20 -10.618 13.133 6.413 52 2HB GLN 20 HB1 GLN 20 -9.947 11.853 5.411 53 1HG GLN 20 HG2 GLN 20 -11.985 11.218 4.608 54 2HG GLN 20 HG1 GLN 20 -12.847 11.772 6.043 55 1HE2 GLN 20 HE21 GLN 20 -14.342 13.042 5.089 56 2HE2 GLN 20 HE22 GLN 20 -13.973 14.460 4.173 57 H GLU 21 HN GLU 21 -9.239 9.107 7.209 58 HA GLU 21 HA GLU 21 -7.076 10.118 8.846 59 1HB GLU 21 HB2 GLU 21 -7.449 7.462 7.451 60 2HB GLU 21 HB1 GLU 21 -6.118 7.848 8.533 61 1HG GLU 21 HG2 GLU 21 -7.399 7.698 10.395 62 2HG GLU 21 HG1 GLU 21 -8.857 8.251 9.573 63 H LYS 22 HN LYS 22 -4.779 9.424 7.994 64 HA LYS 22 HA LYS 22 -4.081 11.152 5.939 65 1HB LYS 22 HB2 LYS 22 -1.948 9.670 5.833 66 2HB LYS 22 HB1 LYS 22 -2.299 10.569 7.302 67 1HG LYS 22 HG2 LYS 22 -3.407 7.847 7.197 68 2HG LYS 22 HG1 LYS 22 -1.646 7.956 7.239 69 1HD LYS 22 HD2 LYS 22 -1.614 8.820 9.342 70 2HD LYS 22 HD1 LYS 22 -3.142 9.678 9.126 71 1HE LYS 22 HE2 LYS 22 -3.540 7.965 10.718 72 2HE LYS 22 HE1 LYS 22 -4.285 7.439 9.210 73 1HZ LYS 22 HZ1 LYS 22 -2.635 5.869 8.851 74 2HZ LYS 22 HZ2 LYS 22 -2.887 5.768 10.521 75 3HZ LYS 22 HZ3 LYS 22 -1.545 6.602 9.918 76 H LEU 23 HN LEU 23 -3.962 11.018 3.772 77 HA LEU 23 HA LEU 23 -4.697 8.444 2.539 78 1HB LEU 23 HB2 LEU 23 -5.786 11.076 2.227 79 2HB LEU 23 HB1 LEU 23 -5.085 10.577 0.705 80 HG LEU 23 HG LEU 23 -6.574 8.788 0.461 81 1HD1 LEU 23 HD11 LEU 23 -8.166 8.191 2.364 82 2HD1 LEU 23 HD12 LEU 23 -7.046 9.063 3.410 83 3HD1 LEU 23 HD13 LEU 23 -6.493 7.656 2.504 84 1HD2 LEU 23 HD21 LEU 23 -8.414 10.639 1.891 85 2HD2 LEU 23 HD22 LEU 23 -8.601 9.848 0.326 86 3HD2 LEU 23 HD23 LEU 23 -7.519 11.232 0.493 87 H VAL 24 HN VAL 24 -3.729 7.886 0.548 88 HA VAL 24 HA VAL 24 -1.299 9.378 -0.136 89 HB VAL 24 HB VAL 24 -0.529 6.827 -0.763 90 1HG1 VAL 24 HG11 VAL 24 0.039 8.118 1.894 91 2HG1 VAL 24 HG12 VAL 24 0.724 8.685 0.371 92 3HG1 VAL 24 HG13 VAL 24 1.090 7.060 0.952 93 1HG2 VAL 24 HG21 VAL 24 -2.206 5.616 0.336 94 2HG2 VAL 24 HG22 VAL 24 -2.193 6.689 1.735 95 3HG2 VAL 24 HG23 VAL 24 -0.845 5.586 1.458 96 H GLN 25 HN GLN 25 -0.729 9.283 -2.408 97 HA GLN 25 HA GLN 25 -2.983 8.417 -4.068 98 1HB GLN 25 HB2 GLN 25 -2.098 10.840 -4.009 99 2HB GLN 25 HB1 GLN 25 -0.773 10.224 -4.986 100 1HG GLN 25 HG2 GLN 25 -2.132 10.847 -6.668 101 2HG GLN 25 HG1 GLN 25 -2.821 9.249 -6.389 102 1HE2 GLN 25 HE21 GLN 25 -4.715 9.115 -5.030 103 2HE2 GLN 25 HE22 GLN 25 -5.824 10.439 -4.982 104 HA PRO 26 HA PRO 26 -0.061 5.188 -5.374 105 1HB PRO 26 HB2 PRO 26 -2.418 4.014 -6.647 106 2HB PRO 26 HB1 PRO 26 -1.403 3.352 -5.368 107 1HG PRO 26 HG2 PRO 26 -3.941 4.171 -4.933 108 2HG PRO 26 HG1 PRO 26 -2.678 4.286 -3.695 109 1HD PRO 26 HD2 PRO 26 -3.777 6.417 -5.491 110 2HD PRO 26 HD1 PRO 26 -3.355 6.499 -3.767 111 H THR 27 HN THR 27 1.075 5.165 -7.244 112 HA THR 27 HA THR 27 0.587 6.894 -9.355 113 HB THR 27 HB THR 27 2.084 5.144 -10.643 114 HG1 THR 27 HG1 THR 27 1.651 3.531 -8.971 115 1HG2 THR 27 HG21 THR 27 3.045 7.198 -9.954 116 2HG2 THR 27 HG22 THR 27 4.102 5.904 -9.389 117 3HG2 THR 27 HG23 THR 27 3.017 6.714 -8.258 118 HA PRO 28 HA PRO 28 -2.600 5.383 -11.984 119 1HB PRO 28 HB2 PRO 28 -0.490 5.097 -14.091 120 2HB PRO 28 HB1 PRO 28 -2.086 5.849 -14.196 121 1HG PRO 28 HG2 PRO 28 0.113 7.340 -13.962 122 2HG PRO 28 HG1 PRO 28 -1.391 7.788 -13.136 123 1HD PRO 28 HD2 PRO 28 1.118 6.662 -12.018 124 2HD PRO 28 HD1 PRO 28 -0.088 7.716 -11.254 125 H LEU 29 HN LEU 29 0.460 3.635 -11.930 126 HA LEU 29 HA LEU 29 -0.598 1.212 -13.016 127 1HB LEU 29 HB2 LEU 29 1.819 1.866 -13.064 128 2HB LEU 29 HB1 LEU 29 1.883 1.583 -11.335 129 HG LEU 29 HG LEU 29 1.687 -0.734 -11.574 130 1HD1 LEU 29 HD11 LEU 29 -0.241 -0.752 -13.071 131 2HD1 LEU 29 HD12 LEU 29 1.011 -1.864 -13.626 132 3HD1 LEU 29 HD13 LEU 29 0.799 -0.306 -14.424 133 1HD2 LEU 29 HD21 LEU 29 3.788 -0.800 -12.290 134 2HD2 LEU 29 HD22 LEU 29 3.564 0.653 -13.262 135 3HD2 LEU 29 HD23 LEU 29 3.166 -0.928 -13.934 136 H LEU 30 HN LEU 30 0.404 2.162 -9.725 137 HA LEU 30 HA LEU 30 -0.544 -0.140 -8.428 138 1HB LEU 30 HB2 LEU 30 0.967 1.773 -7.552 139 2HB LEU 30 HB1 LEU 30 -0.535 2.582 -7.153 140 HG LEU 30 HG LEU 30 -1.145 0.843 -5.609 141 1HD1 LEU 30 HD11 LEU 30 0.864 -0.671 -7.077 142 2HD1 LEU 30 HD12 LEU 30 -0.513 -1.232 -6.129 143 3HD1 LEU 30 HD13 LEU 30 1.007 -0.839 -5.327 144 1HD2 LEU 30 HD21 LEU 30 0.230 1.515 -3.953 145 2HD2 LEU 30 HD22 LEU 30 0.838 2.615 -5.191 146 3HD2 LEU 30 HD23 LEU 30 1.692 1.109 -4.853 147 H LEU 31 HN LEU 31 -2.070 2.903 -9.274 148 HA LEU 31 HA LEU 31 -4.430 2.852 -7.899 149 1HB LEU 31 HB2 LEU 31 -3.406 4.164 -10.184 150 2HB LEU 31 HB1 LEU 31 -4.985 3.551 -10.631 151 HG LEU 31 HG LEU 31 -4.326 5.470 -8.404 152 1HD1 LEU 31 HD11 LEU 31 -4.485 6.527 -10.545 153 2HD1 LEU 31 HD12 LEU 31 -5.953 6.891 -9.634 154 3HD1 LEU 31 HD13 LEU 31 -5.985 5.671 -10.909 155 1HD2 LEU 31 HD21 LEU 31 -6.730 3.776 -8.862 156 2HD2 LEU 31 HD22 LEU 31 -6.948 5.419 -8.258 157 3HD2 LEU 31 HD23 LEU 31 -5.967 4.267 -7.350 158 H SER 32 HN SER 32 -4.003 1.457 -11.159 159 HA SER 32 HA SER 32 -6.469 0.232 -11.401 160 1HB SER 32 HB2 SER 32 -3.864 -0.896 -12.456 161 2HB SER 32 HB1 SER 32 -5.480 -1.159 -13.111 162 HG SER 32 HG SER 32 -3.769 0.801 -13.669 163 H LEU 33 HN LEU 33 -3.487 -1.132 -9.983 164 HA LEU 33 HA LEU 33 -4.426 -3.695 -9.470 165 1HB LEU 33 HB2 LEU 33 -2.745 -2.336 -7.412 166 2HB LEU 33 HB1 LEU 33 -2.650 -3.975 -8.009 167 HG LEU 33 HG LEU 33 -1.647 -1.477 -9.358 168 1HD1 LEU 33 HD11 LEU 33 -0.259 -4.015 -8.511 169 2HD1 LEU 33 HD12 LEU 33 -0.210 -2.483 -7.640 170 3HD1 LEU 33 HD13 LEU 33 0.497 -2.604 -9.251 171 1HD2 LEU 33 HD21 LEU 33 -2.659 -2.758 -11.099 172 2HD2 LEU 33 HD22 LEU 33 -1.966 -4.255 -10.478 173 3HD2 LEU 33 HD23 LEU 33 -0.918 -3.025 -11.186 174 H LEU 34 HN LEU 34 -4.698 -0.768 -7.488 175 HA LEU 34 HA LEU 34 -6.154 -1.968 -5.374 176 1HB LEU 34 HB2 LEU 34 -6.270 0.917 -6.278 177 2HB LEU 34 HB1 LEU 34 -6.707 0.301 -4.699 178 HG LEU 34 HG LEU 34 -3.919 0.324 -5.858 179 1HD1 LEU 34 HD11 LEU 34 -3.448 2.155 -4.543 180 2HD1 LEU 34 HD12 LEU 34 -4.804 1.858 -3.456 181 3HD1 LEU 34 HD13 LEU 34 -5.094 2.510 -5.069 182 1HD2 LEU 34 HD21 LEU 34 -3.835 -1.476 -4.447 183 2HD2 LEU 34 HD22 LEU 34 -5.113 -0.854 -3.404 184 3HD2 LEU 34 HD23 LEU 34 -3.490 -0.170 -3.312 185 H LYS 35 HN LYS 35 -7.099 -0.086 -8.210 186 HA LYS 35 HA LYS 35 -9.811 0.029 -7.962 187 1HB LYS 35 HB2 LYS 35 -8.073 -0.388 -10.388 188 2HB LYS 35 HB1 LYS 35 -9.806 -0.167 -10.526 189 1HG LYS 35 HG2 LYS 35 -7.768 1.780 -9.494 190 2HG LYS 35 HG1 LYS 35 -8.814 1.940 -10.905 191 1HD LYS 35 HD2 LYS 35 -10.757 1.804 -9.229 192 2HD LYS 35 HD1 LYS 35 -9.536 2.120 -7.996 193 1HE LYS 35 HE2 LYS 35 -10.810 4.122 -8.956 194 2HE LYS 35 HE1 LYS 35 -9.054 4.241 -8.843 195 1HZ LYS 35 HZ1 LYS 35 -10.407 3.355 -11.322 196 2HZ LYS 35 HZ2 LYS 35 -8.824 3.922 -11.135 197 3HZ LYS 35 HZ3 LYS 35 -10.126 4.992 -10.994 198 H SER 36 HN SER 36 -7.871 -2.708 -9.032 199 HA SER 36 HA SER 36 -10.206 -4.352 -9.530 200 1HB SER 36 HB2 SER 36 -7.507 -4.376 -10.383 201 2HB SER 36 HB1 SER 36 -7.760 -5.866 -9.474 202 HG SER 36 HG SER 36 -9.329 -6.466 -10.872 203 H ALA 37 HN ALA 37 -8.004 -3.711 -6.950 204 HA ALA 37 HA ALA 37 -8.560 -6.160 -5.523 205 1HB ALA 37 HB1 ALA 37 -7.239 -5.021 -3.695 206 2HB ALA 37 HB2 ALA 37 -6.999 -3.684 -4.820 207 3HB ALA 37 HB3 ALA 37 -6.385 -5.290 -5.214 208 H GLY 38 HN GLY 38 -10.515 -3.670 -6.130 209 1HA GLY 38 HA2 GLY 38 -12.640 -3.476 -5.072 210 2HA GLY 38 HA1 GLY 38 -11.903 -3.995 -3.564 211 H ALA 39 HN ALA 39 -10.650 -1.516 -5.724 212 HA ALA 39 HA ALA 39 -11.137 0.463 -3.601 213 1HB ALA 39 HB1 ALA 39 -8.727 -0.305 -4.900 214 2HB ALA 39 HB2 ALA 39 -8.957 0.868 -3.616 215 3HB ALA 39 HB3 ALA 39 -9.068 1.375 -5.304 216 H GLN 40 HN GLN 40 -11.827 2.602 -4.256 217 HA GLN 40 HA GLN 40 -12.632 2.808 -7.080 218 1HB GLN 40 HB2 GLN 40 -14.205 3.345 -4.591 219 2HB GLN 40 HB1 GLN 40 -14.551 4.265 -6.046 220 1HG GLN 40 HG2 GLN 40 -14.464 1.274 -6.087 221 2HG GLN 40 HG1 GLN 40 -15.912 2.146 -5.584 222 1HE2 GLN 40 HE21 GLN 40 -17.063 3.338 -7.094 223 2HE2 GLN 40 HE22 GLN 40 -16.829 3.149 -8.795 224 H LYS 41 HN LYS 41 -12.308 4.806 -4.138 225 HA LYS 41 HA LYS 41 -12.023 7.268 -5.359 226 1HB LYS 41 HB2 LYS 41 -10.730 7.916 -3.288 227 2HB LYS 41 HB1 LYS 41 -12.310 7.202 -3.004 228 1HG LYS 41 HG2 LYS 41 -10.039 5.328 -3.042 229 2HG LYS 41 HG1 LYS 41 -10.084 6.472 -1.702 230 1HD LYS 41 HD2 LYS 41 -12.648 5.667 -1.700 231 2HD LYS 41 HD1 LYS 41 -11.876 4.210 -2.327 232 1HE LYS 41 HE2 LYS 41 -10.395 5.285 -0.097 233 2HE LYS 41 HE1 LYS 41 -12.079 5.005 0.342 234 1HZ LYS 41 HZ1 LYS 41 -11.838 2.793 0.192 235 2HZ LYS 41 HZ2 LYS 41 -10.192 3.122 0.395 236 3HZ LYS 41 HZ3 LYS 41 -10.817 2.869 -1.155 237 H GLU 42 HN GLU 42 -9.969 8.629 -5.305 238 HA GLU 42 HA GLU 42 -7.969 7.257 -6.903 239 1HB GLU 42 HB2 GLU 42 -7.058 9.518 -7.285 240 2HB GLU 42 HB1 GLU 42 -8.766 9.412 -7.688 241 1HG GLU 42 HG2 GLU 42 -8.574 10.200 -4.978 242 2HG GLU 42 HG1 GLU 42 -7.457 11.197 -5.910 243 H THR 43 HN THR 43 -8.301 8.682 -3.726 244 HA THR 43 HA THR 43 -5.508 7.927 -3.153 245 HB THR 43 HB THR 43 -6.829 9.781 -1.285 246 HG1 THR 43 HG1 THR 43 -6.937 11.463 -2.603 247 1HG2 THR 43 HG21 THR 43 -4.672 10.989 -1.522 248 2HG2 THR 43 HG22 THR 43 -4.143 9.709 -2.615 249 3HG2 THR 43 HG23 THR 43 -4.534 9.330 -0.936 250 H PHE 44 HN PHE 44 -5.096 6.658 -1.416 251 HA PHE 44 HA PHE 44 -7.377 5.842 0.253 252 1HB PHE 44 HB2 PHE 44 -5.274 3.975 -0.855 253 2HB PHE 44 HB1 PHE 44 -6.657 3.522 0.129 254 HD1 PHE 44 HD1 PHE 44 -5.731 5.018 -3.137 255 HD2 PHE 44 HD2 PHE 44 -8.654 2.910 -0.871 256 HE1 PHE 44 HE1 PHE 44 -7.034 4.623 -5.189 257 HE2 PHE 44 HE2 PHE 44 -9.962 2.523 -2.922 258 HZ PHE 44 HZ PHE 44 -9.155 3.381 -5.079 259 H THR 45 HN THR 45 -6.827 5.138 2.373 260 HA THR 45 HA THR 45 -4.474 6.407 3.432 261 HB THR 45 HB THR 45 -5.315 5.855 5.583 262 HG1 THR 45 HG1 THR 45 -6.636 4.190 5.981 263 1HG2 THR 45 HG21 THR 45 -6.753 7.507 4.764 264 2HG2 THR 45 HG22 THR 45 -7.808 6.270 5.447 265 3HG2 THR 45 HG23 THR 45 -7.586 6.375 3.700 266 H MET 46 HN MET 46 -2.706 5.371 4.406 267 HA MET 46 HA MET 46 -1.533 3.301 3.143 268 1HB MET 46 HB2 MET 46 -0.983 4.805 5.429 269 2HB MET 46 HB1 MET 46 -0.870 3.129 5.952 270 1HG MET 46 HG2 MET 46 1.282 3.635 5.254 271 2HG MET 46 HG1 MET 46 0.579 2.781 3.882 272 1HE MET 46 HE1 MET 46 0.462 3.433 1.737 273 2HE MET 46 HE2 MET 46 2.188 3.790 1.841 274 3HE MET 46 HE3 MET 46 1.102 4.918 1.027 275 H LYS 47 HN LYS 47 -4.001 3.010 5.601 276 HA LYS 47 HA LYS 47 -3.589 0.228 6.102 277 1HB LYS 47 HB2 LYS 47 -5.000 2.164 7.365 278 2HB LYS 47 HB1 LYS 47 -6.297 1.338 6.509 279 1HG LYS 47 HG2 LYS 47 -6.286 0.138 8.437 280 2HG LYS 47 HG1 LYS 47 -5.124 -0.802 7.501 281 1HD LYS 47 HD2 LYS 47 -4.559 1.232 9.649 282 2HD LYS 47 HD1 LYS 47 -4.190 -0.490 9.657 283 1HE LYS 47 HE2 LYS 47 -2.979 1.453 7.704 284 2HE LYS 47 HE1 LYS 47 -2.234 1.028 9.242 285 1HZ LYS 47 HZ1 LYS 47 -3.029 -1.182 7.518 286 2HZ LYS 47 HZ2 LYS 47 -1.671 -1.018 8.512 287 3HZ LYS 47 HZ3 LYS 47 -1.709 -0.258 7.002 288 H GLU 48 HN GLU 48 -5.908 2.046 4.098 289 HA GLU 48 HA GLU 48 -7.233 -0.229 3.068 290 1HB GLU 48 HB2 GLU 48 -6.938 2.452 1.717 291 2HB GLU 48 HB1 GLU 48 -8.185 1.254 1.420 292 1HG GLU 48 HG2 GLU 48 -7.811 2.945 3.874 293 2HG GLU 48 HG1 GLU 48 -9.147 2.980 2.726 294 H VAL 49 HN VAL 49 -4.600 1.776 1.776 295 HA VAL 49 HA VAL 49 -4.228 0.496 -0.661 296 HB VAL 49 HB VAL 49 -1.997 1.577 1.066 297 1HG1 VAL 49 HG11 VAL 49 -1.983 1.913 -1.859 298 2HG1 VAL 49 HG12 VAL 49 -1.786 0.260 -1.277 299 3HG1 VAL 49 HG13 VAL 49 -0.667 1.520 -0.753 300 1HG2 VAL 49 HG21 VAL 49 -2.614 3.696 0.655 301 2HG2 VAL 49 HG22 VAL 49 -4.211 3.002 0.380 302 3HG2 VAL 49 HG23 VAL 49 -3.146 3.330 -0.986 303 H LEU 50 HN LEU 50 -2.158 -0.008 2.188 304 HA LEU 50 HA LEU 50 -0.861 -2.289 1.390 305 1HB LEU 50 HB2 LEU 50 -1.022 -0.787 3.696 306 2HB LEU 50 HB1 LEU 50 -1.612 -2.352 4.218 307 HG LEU 50 HG LEU 50 1.070 -1.738 2.985 308 1HD1 LEU 50 HD11 LEU 50 0.299 -2.774 5.708 309 2HD1 LEU 50 HD12 LEU 50 0.847 -1.138 5.341 310 3HD1 LEU 50 HD13 LEU 50 1.942 -2.504 5.126 311 1HD2 LEU 50 HD21 LEU 50 -0.162 -4.387 3.716 312 2HD2 LEU 50 HD22 LEU 50 1.552 -4.141 3.377 313 3HD2 LEU 50 HD23 LEU 50 0.353 -3.853 2.115 314 H TYR 51 HN TYR 51 -4.129 -1.959 2.531 315 HA TYR 51 HA TYR 51 -4.570 -4.719 3.096 316 1HB TYR 51 HB2 TYR 51 -5.926 -2.947 4.122 317 2HB TYR 51 HB1 TYR 51 -6.570 -2.519 2.541 318 HD1 TYR 51 HD1 TYR 51 -6.447 -5.233 5.065 319 HD2 TYR 51 HD2 TYR 51 -8.424 -3.664 1.640 320 HE1 TYR 51 HE1 TYR 51 -8.258 -6.868 5.369 321 HE2 TYR 51 HE2 TYR 51 -10.241 -5.295 1.935 322 HH TYR 51 HH TYR 51 -10.044 -7.977 3.658 323 H HIS 52 HN HIS 52 -5.697 -2.640 0.395 324 HA HIS 52 HA HIS 52 -6.957 -4.602 -1.083 325 1HB HIS 52 HB2 HIS 52 -5.344 -2.495 -2.485 326 2HB HIS 52 HB1 HIS 52 -6.894 -3.178 -2.933 327 HD1 HIS 52 HD1 HIS 52 -8.701 -2.644 -0.685 328 HD2 HIS 52 HD2 HIS 52 -5.773 0.081 -1.809 329 HE1 HIS 52 HE1 HIS 52 -9.495 -0.415 0.166 330 HE2 HIS 52 HE2 HIS 52 -7.693 1.215 -0.501 331 H LEU 53 HN LEU 53 -3.512 -3.893 -0.869 332 HA LEU 53 HA LEU 53 -2.577 -5.351 -3.038 333 1HB LEU 53 HB2 LEU 53 -1.425 -4.728 -0.347 334 2HB LEU 53 HB1 LEU 53 -0.585 -5.846 -1.402 335 HG LEU 53 HG LEU 53 0.460 -3.815 -1.826 336 1HD1 LEU 53 HD11 LEU 53 0.036 -3.319 -4.074 337 2HD1 LEU 53 HD12 LEU 53 -1.676 -3.718 -3.931 338 3HD1 LEU 53 HD13 LEU 53 -0.465 -4.999 -3.880 339 1HD2 LEU 53 HD21 LEU 53 -2.245 -2.492 -1.916 340 2HD2 LEU 53 HD22 LEU 53 -0.685 -1.694 -2.119 341 3HD2 LEU 53 HD23 LEU 53 -1.107 -2.425 -0.570 342 H GLY 54 HN GLY 54 -3.087 -6.489 0.305 343 1HA GLY 54 HA2 GLY 54 -2.406 -9.153 -0.036 344 2HA GLY 54 HA1 GLY 54 -3.626 -8.584 1.098 345 H GLN 55 HN GLN 55 -5.391 -7.494 -0.859 346 HA GLN 55 HA GLN 55 -6.741 -9.919 -1.646 347 1HB GLN 55 HB2 GLN 55 -7.486 -7.020 -2.076 348 2HB GLN 55 HB1 GLN 55 -8.528 -8.396 -2.410 349 1HG GLN 55 HG2 GLN 55 -7.961 -8.903 0.150 350 2HG GLN 55 HG1 GLN 55 -7.791 -7.148 0.161 351 1HE2 GLN 55 HE21 GLN 55 -9.847 -9.300 1.082 352 2HE2 GLN 55 HE22 GLN 55 -11.358 -8.588 0.638 353 H TYR 56 HN TYR 56 -4.775 -7.471 -3.118 354 HA TYR 56 HA TYR 56 -5.520 -7.971 -5.823 355 1HB TYR 56 HB2 TYR 56 -4.523 -5.853 -5.317 356 2HB TYR 56 HB1 TYR 56 -3.126 -6.618 -4.568 357 HD1 TYR 56 HD1 TYR 56 -4.773 -5.853 -7.771 358 HD2 TYR 56 HD2 TYR 56 -1.292 -7.411 -5.890 359 HE1 TYR 56 HE1 TYR 56 -3.594 -5.802 -9.926 360 HE2 TYR 56 HE2 TYR 56 -0.095 -7.342 -8.035 361 HH TYR 56 HH TYR 56 -0.764 -7.400 -10.517 362 H ILE 57 HN ILE 57 -2.545 -8.760 -4.019 363 HA ILE 57 HA ILE 57 -1.346 -10.371 -5.928 364 HB ILE 57 HB ILE 57 -1.181 -10.732 -2.933 365 1HG1 ILE 57 HG12 ILE 57 0.463 -9.003 -4.795 366 2HG1 ILE 57 HG11 ILE 57 -0.681 -8.425 -3.588 367 1HG2 ILE 57 HG21 ILE 57 0.891 -11.423 -5.003 368 2HG2 ILE 57 HG22 ILE 57 -0.282 -12.585 -4.384 369 3HG2 ILE 57 HG23 ILE 57 0.883 -11.842 -3.289 370 1HD1 ILE 57 HD11 ILE 57 0.793 -8.632 -1.926 371 2HD1 ILE 57 HD12 ILE 57 1.994 -8.670 -3.217 372 3HD1 ILE 57 HD13 ILE 57 1.399 -10.178 -2.522 373 H MET 58 HN MET 58 -3.499 -11.358 -3.264 374 HA MET 58 HA MET 58 -3.463 -14.102 -3.793 375 1HB MET 58 HB2 MET 58 -5.415 -14.266 -2.414 376 2HB MET 58 HB1 MET 58 -4.375 -13.022 -1.732 377 1HG MET 58 HG2 MET 58 -5.766 -11.288 -2.591 378 2HG MET 58 HG1 MET 58 -6.724 -12.442 -3.517 379 1HE MET 58 HE1 MET 58 -8.811 -10.743 -1.758 380 2HE MET 58 HE2 MET 58 -9.648 -12.247 -1.372 381 3HE MET 58 HE3 MET 58 -8.858 -12.054 -2.937 382 H ALA 59 HN ALA 59 -5.226 -11.502 -5.314 383 HA ALA 59 HA ALA 59 -7.151 -13.126 -6.641 384 1HB ALA 59 HB1 ALA 59 -7.900 -10.986 -6.642 385 2HB ALA 59 HB2 ALA 59 -7.085 -10.960 -8.206 386 3HB ALA 59 HB3 ALA 59 -6.280 -10.302 -6.781 387 H LYS 60 HN LYS 60 -4.266 -11.428 -7.905 388 HA LYS 60 HA LYS 60 -4.308 -12.767 -10.398 389 1HB LYS 60 HB2 LYS 60 -2.463 -10.957 -8.942 390 2HB LYS 60 HB1 LYS 60 -1.763 -11.930 -10.227 391 1HG LYS 60 HG2 LYS 60 -2.488 -9.674 -10.926 392 2HG LYS 60 HG1 LYS 60 -3.231 -10.979 -11.848 393 1HD LYS 60 HD2 LYS 60 -5.049 -9.631 -11.435 394 2HD LYS 60 HD1 LYS 60 -5.135 -10.721 -10.049 395 1HE LYS 60 HE2 LYS 60 -4.301 -9.112 -8.590 396 2HE LYS 60 HE1 LYS 60 -3.596 -8.169 -9.899 397 1HZ LYS 60 HZ1 LYS 60 -6.299 -8.143 -8.850 398 2HZ LYS 60 HZ2 LYS 60 -6.177 -8.052 -10.535 399 3HZ LYS 60 HZ3 LYS 60 -5.404 -6.899 -9.568 400 H GLN 61 HN GLN 61 -2.900 -13.484 -7.295 401 HA GLN 61 HA GLN 61 -2.006 -15.412 -6.471 402 1HB GLN 61 HB2 GLN 61 -3.556 -16.415 -8.366 403 2HB GLN 61 HB1 GLN 61 -2.012 -16.759 -9.136 404 1HG GLN 61 HG2 GLN 61 -1.445 -18.341 -7.616 405 2HG GLN 61 HG1 GLN 61 -2.313 -17.549 -6.301 406 1HE2 GLN 61 HE21 GLN 61 -4.820 -17.351 -7.137 407 2HE2 GLN 61 HE22 GLN 61 -5.502 -18.902 -7.476 408 H LEU 62 HN LEU 62 -0.233 -13.615 -6.717 409 HA LEU 62 HA LEU 62 1.906 -14.427 -8.523 410 1HB LEU 62 HB2 LEU 62 2.175 -12.230 -6.512 411 2HB LEU 62 HB1 LEU 62 2.930 -12.389 -8.086 412 HG LEU 62 HG LEU 62 0.044 -11.680 -7.555 413 1HD1 LEU 62 HD11 LEU 62 2.463 -10.121 -8.392 414 2HD1 LEU 62 HD12 LEU 62 1.307 -9.773 -7.105 415 3HD1 LEU 62 HD13 LEU 62 0.833 -9.576 -8.793 416 1HD2 LEU 62 HD21 LEU 62 0.084 -11.235 -10.059 417 2HD2 LEU 62 HD22 LEU 62 0.023 -12.923 -9.551 418 3HD2 LEU 62 HD23 LEU 62 1.544 -12.221 -10.100 419 H TYR 63 HN TYR 63 0.884 -15.218 -5.439 420 HA TYR 63 HA TYR 63 3.466 -15.461 -4.199 421 1HB TYR 63 HB2 TYR 63 2.231 -16.582 -2.380 422 2HB TYR 63 HB1 TYR 63 1.504 -15.040 -2.821 423 HD1 TYR 63 HD1 TYR 63 1.167 -18.711 -3.235 424 HD2 TYR 63 HD2 TYR 63 -0.743 -14.920 -3.520 425 HE1 TYR 63 HE1 TYR 63 -0.997 -19.832 -3.562 426 HE2 TYR 63 HE2 TYR 63 -2.912 -16.031 -3.848 427 HH TYR 63 HH TYR 63 -3.190 -19.364 -4.510 428 H ASP 64 HN ASP 64 4.484 -17.421 -3.592 429 HA ASP 64 HA ASP 64 4.327 -19.449 -5.637 430 1HB ASP 64 HB2 ASP 64 6.487 -18.602 -4.670 431 2HB ASP 64 HB1 ASP 64 6.069 -19.412 -3.165 432 H GLU 65 HN GLU 65 3.784 -21.608 -5.365 433 HA GLU 65 HA GLU 65 1.696 -22.196 -3.593 434 1HB GLU 65 HB2 GLU 65 3.117 -23.537 -5.699 435 2HB GLU 65 HB1 GLU 65 2.912 -24.642 -4.346 436 1HG GLU 65 HG2 GLU 65 0.508 -23.124 -5.036 437 2HG GLU 65 HG1 GLU 65 1.083 -24.204 -6.305 438 H LYS 66 HN LYS 66 5.093 -23.288 -3.523 439 HA LYS 66 HA LYS 66 4.980 -24.740 -1.154 440 1HB LYS 66 HB2 LYS 66 7.316 -23.092 -2.144 441 2HB LYS 66 HB1 LYS 66 7.395 -24.444 -1.023 442 1HG LYS 66 HG2 LYS 66 7.888 -25.649 -2.836 443 2HG LYS 66 HG1 LYS 66 6.153 -25.589 -3.152 444 1HD LYS 66 HD2 LYS 66 7.335 -23.195 -4.146 445 2HD LYS 66 HD1 LYS 66 8.276 -24.566 -4.735 446 1HE LYS 66 HE2 LYS 66 5.712 -25.437 -5.095 447 2HE LYS 66 HE1 LYS 66 5.558 -23.710 -5.414 448 1HZ LYS 66 HZ1 LYS 66 7.268 -25.681 -6.805 449 2HZ LYS 66 HZ2 LYS 66 7.545 -24.018 -6.931 450 3HZ LYS 66 HZ3 LYS 66 6.078 -24.673 -7.462 451 H GLN 67 HN GLN 67 6.384 -21.472 -1.439 452 HA GLN 67 HA GLN 67 5.710 -20.986 1.360 453 1HB GLN 67 HB2 GLN 67 7.317 -19.225 -0.492 454 2HB GLN 67 HB1 GLN 67 7.256 -19.163 1.261 455 1HG GLN 67 HG2 GLN 67 8.638 -20.959 1.518 456 2HG GLN 67 HG1 GLN 67 8.197 -21.664 -0.033 457 1HE2 GLN 67 HE21 GLN 67 10.185 -19.327 1.596 458 2HE2 GLN 67 HE22 GLN 67 11.263 -19.024 0.280 459 H GLN 68 HN GLN 68 3.957 -19.841 1.874 460 HA GLN 68 HA GLN 68 2.443 -18.526 -0.208 461 1HB GLN 68 HB2 GLN 68 1.952 -19.331 2.608 462 2HB GLN 68 HB1 GLN 68 1.014 -17.979 1.987 463 1HG GLN 68 HG2 GLN 68 -0.376 -19.690 1.445 464 2HG GLN 68 HG1 GLN 68 0.601 -19.632 -0.023 465 1HE2 GLN 68 HE21 GLN 68 0.811 -21.642 -0.700 466 2HE2 GLN 68 HE22 GLN 68 1.299 -22.990 0.264 467 H HIS 69 HN HIS 69 4.723 -17.623 2.195 468 HA HIS 69 HA HIS 69 3.874 -14.836 2.192 469 1HB HIS 69 HB2 HIS 69 5.467 -14.486 3.937 470 2HB HIS 69 HB1 HIS 69 4.642 -15.998 4.290 471 HD1 HIS 69 HD1 HIS 69 6.038 -18.222 3.611 472 HD2 HIS 69 HD2 HIS 69 8.184 -14.673 3.859 473 HE1 HIS 69 HE1 HIS 69 8.451 -18.907 3.788 474 HE2 HIS 69 HE2 HIS 69 9.723 -16.745 4.026 475 H ILE 70 HN ILE 70 5.253 -16.483 -0.083 476 HA ILE 70 HA ILE 70 7.372 -14.514 -0.638 477 HB ILE 70 HB ILE 70 7.118 -17.328 -1.708 478 1HG1 ILE 70 HG12 ILE 70 7.792 -17.395 0.600 479 2HG1 ILE 70 HG11 ILE 70 9.210 -17.703 -0.394 480 1HG2 ILE 70 HG21 ILE 70 9.682 -16.435 -2.200 481 2HG2 ILE 70 HG22 ILE 70 8.677 -15.033 -2.571 482 3HG2 ILE 70 HG23 ILE 70 8.379 -16.572 -3.381 483 1HD1 ILE 70 HD11 ILE 70 9.831 -16.256 1.390 484 2HD1 ILE 70 HD12 ILE 70 8.506 -15.150 1.023 485 3HD1 ILE 70 HD13 ILE 70 9.850 -15.323 -0.107 486 H VAL 71 HN VAL 71 7.221 -13.301 -2.416 487 HA VAL 71 HA VAL 71 5.151 -13.980 -4.401 488 HB VAL 71 HB VAL 71 5.815 -11.161 -3.561 489 1HG1 VAL 71 HG11 VAL 71 3.260 -11.908 -4.858 490 2HG1 VAL 71 HG12 VAL 71 4.712 -11.946 -5.859 491 3HG1 VAL 71 HG13 VAL 71 4.244 -10.456 -5.040 492 1HG2 VAL 71 HG21 VAL 71 3.984 -13.133 -2.362 493 2HG2 VAL 71 HG22 VAL 71 3.293 -11.539 -2.664 494 3HG2 VAL 71 HG23 VAL 71 4.732 -11.698 -1.656 495 H HIS 72 HN HIS 72 6.368 -14.646 -6.098 496 HA HIS 72 HA HIS 72 8.394 -12.750 -7.081 497 1HB HIS 72 HB2 HIS 72 9.799 -14.576 -7.809 498 2HB HIS 72 HB1 HIS 72 9.453 -14.772 -6.095 499 HD1 HIS 72 HD1 HIS 72 7.162 -16.430 -5.767 500 HD2 HIS 72 HD2 HIS 72 9.570 -16.915 -9.118 501 HE1 HIS 72 HE1 HIS 72 6.664 -18.741 -6.625 502 HE2 HIS 72 HE2 HIS 72 8.198 -19.045 -8.599 503 H CYS 73 HN CYS 73 7.232 -11.797 -8.658 504 HA CYS 73 HA CYS 73 6.336 -13.525 -10.859 505 1HB CYS 73 HB2 CYS 73 4.554 -12.250 -9.262 506 2HB CYS 73 HB1 CYS 73 4.845 -10.999 -10.466 507 HG CYS 73 HG CYS 73 3.112 -12.214 -11.716 508 H SER 74 HN SER 74 7.913 -13.130 -12.330 509 HA SER 74 HA SER 74 9.237 -10.654 -12.597 510 1HB SER 74 HB2 SER 74 9.107 -12.446 -14.965 511 2HB SER 74 HB1 SER 74 10.503 -11.670 -14.218 512 HG SER 74 HG SER 74 10.110 -13.228 -12.439 513 H ASN 75 HN ASN 75 6.603 -12.087 -14.527 514 HA ASN 75 HA ASN 75 6.295 -9.416 -15.722 515 1HB ASN 75 HB2 ASN 75 5.758 -12.164 -16.671 516 2HB ASN 75 HB1 ASN 75 4.523 -10.978 -17.081 517 1HD2 ASN 75 HD21 ASN 75 8.001 -10.504 -16.749 518 2HD2 ASN 75 HD22 ASN 75 8.274 -10.031 -18.388 519 H ASP 76 HN ASP 76 5.277 -8.416 -14.055 520 HA ASP 76 HA ASP 76 2.445 -8.867 -13.886 521 1HB ASP 76 HB2 ASP 76 3.944 -10.286 -12.057 522 2HB ASP 76 HB1 ASP 76 3.487 -8.847 -11.152 523 HA PRO 77 HA PRO 77 2.556 -4.425 -13.680 524 1HB PRO 77 HB2 PRO 77 0.264 -4.440 -11.923 525 2HB PRO 77 HB1 PRO 77 0.346 -3.960 -13.615 526 1HG PRO 77 HG2 PRO 77 -0.615 -6.444 -12.445 527 2HG PRO 77 HG1 PRO 77 -0.816 -5.835 -14.093 528 1HD PRO 77 HD2 PRO 77 0.755 -7.975 -13.407 529 2HD PRO 77 HD1 PRO 77 1.001 -6.984 -14.857 530 H LEU 78 HN LEU 78 2.182 -6.464 -10.839 531 HA LEU 78 HA LEU 78 2.800 -4.452 -8.922 532 1HB LEU 78 HB2 LEU 78 1.680 -6.829 -8.677 533 2HB LEU 78 HB1 LEU 78 3.334 -7.344 -8.409 534 HG LEU 78 HG LEU 78 3.468 -5.631 -6.563 535 1HD1 LEU 78 HD11 LEU 78 1.566 -4.568 -5.745 536 2HD1 LEU 78 HD12 LEU 78 0.473 -5.620 -6.645 537 3HD1 LEU 78 HD13 LEU 78 1.417 -4.395 -7.493 538 1HD2 LEU 78 HD21 LEU 78 2.709 -8.203 -6.499 539 2HD2 LEU 78 HD22 LEU 78 1.270 -7.453 -5.807 540 3HD2 LEU 78 HD23 LEU 78 2.845 -7.198 -5.056 541 H GLY 79 HN GLY 79 4.706 -7.328 -9.857 542 1HA GLY 79 HA2 GLY 79 7.118 -6.481 -8.739 543 2HA GLY 79 HA1 GLY 79 6.975 -7.630 -10.063 544 H GLU 80 HN GLU 80 5.646 -5.700 -11.808 545 HA GLU 80 HA GLU 80 7.975 -4.540 -12.980 546 1HB GLU 80 HB2 GLU 80 6.366 -5.233 -14.534 547 2HB GLU 80 HB1 GLU 80 5.040 -4.531 -13.620 548 1HG GLU 80 HG2 GLU 80 5.609 -3.371 -15.759 549 2HG GLU 80 HG1 GLU 80 5.585 -2.345 -14.326 550 H LEU 81 HN LEU 81 5.435 -3.433 -10.875 551 HA LEU 81 HA LEU 81 5.940 -0.635 -11.234 552 1HB LEU 81 HB2 LEU 81 3.762 -1.563 -10.476 553 2HB LEU 81 HB1 LEU 81 4.523 -2.050 -8.975 554 HG LEU 81 HG LEU 81 4.911 0.250 -8.355 555 1HD1 LEU 81 HD11 LEU 81 5.254 1.726 -9.983 556 2HD1 LEU 81 HD12 LEU 81 3.501 1.801 -10.158 557 3HD1 LEU 81 HD13 LEU 81 4.443 0.713 -11.177 558 1HD2 LEU 81 HD21 LEU 81 2.333 0.997 -8.772 559 2HD2 LEU 81 HD22 LEU 81 2.866 -0.103 -7.500 560 3HD2 LEU 81 HD23 LEU 81 2.232 -0.747 -9.014 561 H PHE 82 HN PHE 82 6.503 -2.864 -8.505 562 HA PHE 82 HA PHE 82 8.083 -1.071 -7.016 563 1HB PHE 82 HB2 PHE 82 8.077 -4.096 -6.942 564 2HB PHE 82 HB1 PHE 82 8.739 -3.040 -5.700 565 HD1 PHE 82 HD1 PHE 82 6.613 -0.972 -5.578 566 HD2 PHE 82 HD2 PHE 82 6.366 -5.213 -5.835 567 HE1 PHE 82 HE1 PHE 82 4.418 -0.907 -4.468 568 HE2 PHE 82 HE2 PHE 82 4.171 -5.156 -4.725 569 HZ PHE 82 HZ PHE 82 3.194 -3.001 -4.040 570 H GLY 83 HN GLY 83 8.829 -3.202 -9.657 571 1HA GLY 83 HA2 GLY 83 10.733 -3.126 -10.999 572 2HA GLY 83 HA1 GLY 83 11.496 -2.077 -9.814 573 H VAL 84 HN VAL 84 10.023 -5.161 -9.024 574 HA VAL 84 HA VAL 84 12.704 -6.321 -8.665 575 HB VAL 84 HB VAL 84 11.936 -7.403 -6.583 576 1HG1 VAL 84 HG11 VAL 84 13.147 -5.175 -6.668 577 2HG1 VAL 84 HG12 VAL 84 12.282 -5.545 -5.176 578 3HG1 VAL 84 HG13 VAL 84 11.582 -4.427 -6.348 579 1HG2 VAL 84 HG21 VAL 84 9.832 -5.940 -5.661 580 2HG2 VAL 84 HG22 VAL 84 9.706 -7.552 -6.365 581 3HG2 VAL 84 HG23 VAL 84 9.413 -6.128 -7.364 582 H GLN 85 HN GLN 85 12.649 -8.717 -8.433 583 HA GLN 85 HA GLN 85 10.610 -9.832 -10.226 584 1HB GLN 85 HB2 GLN 85 12.862 -10.089 -11.057 585 2HB GLN 85 HB1 GLN 85 13.392 -10.782 -9.531 586 1HG GLN 85 HG2 GLN 85 12.150 -12.764 -9.902 587 2HG GLN 85 HG1 GLN 85 11.312 -12.056 -11.281 588 1HE2 GLN 85 HE21 GLN 85 12.028 -13.913 -12.466 589 2HE2 GLN 85 HE22 GLN 85 13.631 -13.967 -13.108 590 H GLU 86 HN GLU 86 11.969 -10.063 -7.036 591 HA GLU 86 HA GLU 86 9.789 -11.718 -6.168 592 1HB GLU 86 HB2 GLU 86 11.157 -13.548 -5.284 593 2HB GLU 86 HB1 GLU 86 11.293 -13.441 -7.034 594 1HG GLU 86 HG2 GLU 86 13.456 -12.515 -6.909 595 2HG GLU 86 HG1 GLU 86 13.302 -12.202 -5.181 596 H PHE 87 HN PHE 87 9.453 -11.618 -3.961 597 HA PHE 87 HA PHE 87 11.433 -10.563 -2.174 598 1HB PHE 87 HB2 PHE 87 10.270 -8.510 -1.576 599 2HB PHE 87 HB1 PHE 87 10.670 -8.493 -3.290 600 HD1 PHE 87 HD1 PHE 87 8.037 -8.380 -0.833 601 HD2 PHE 87 HD2 PHE 87 8.881 -8.937 -4.967 602 HE1 PHE 87 HE1 PHE 87 5.678 -7.932 -1.371 603 HE2 PHE 87 HE2 PHE 87 6.524 -8.489 -5.512 604 HZ PHE 87 HZ PHE 87 4.919 -7.986 -3.713 605 H SER 88 HN SER 88 10.860 -10.772 0.000 606 HA SER 88 HA SER 88 8.530 -12.488 0.453 607 1HB SER 88 HB2 SER 88 9.708 -12.755 2.758 608 2HB SER 88 HB1 SER 88 10.418 -13.541 1.348 609 HG SER 88 HG SER 88 12.141 -12.441 1.792 610 H VAL 89 HN VAL 89 6.762 -11.726 1.415 611 HA VAL 89 HA VAL 89 6.498 -9.024 2.149 612 HB VAL 89 HB VAL 89 4.331 -9.854 3.282 613 1HG1 VAL 89 HG11 VAL 89 4.991 -9.989 0.368 614 2HG1 VAL 89 HG12 VAL 89 4.094 -8.759 1.256 615 3HG1 VAL 89 HG13 VAL 89 3.358 -10.330 0.939 616 1HG2 VAL 89 HG21 VAL 89 5.540 -12.334 2.859 617 2HG2 VAL 89 HG22 VAL 89 4.258 -12.233 1.653 618 3HG2 VAL 89 HG23 VAL 89 3.878 -12.029 3.363 619 H LYS 90 HN LYS 90 7.813 -11.638 3.883 620 HA LYS 90 HA LYS 90 7.104 -11.189 6.506 621 1HB LYS 90 HB2 LYS 90 9.521 -12.259 5.154 622 2HB LYS 90 HB1 LYS 90 9.691 -11.818 6.847 623 1HG LYS 90 HG2 LYS 90 7.880 -13.316 7.446 624 2HG LYS 90 HG1 LYS 90 7.635 -13.722 5.746 625 1HD LYS 90 HD2 LYS 90 8.946 -15.484 6.394 626 2HD LYS 90 HD1 LYS 90 10.193 -14.347 5.879 627 1HE LYS 90 HE2 LYS 90 9.855 -13.627 8.477 628 2HE LYS 90 HE1 LYS 90 9.543 -15.361 8.559 629 1HZ LYS 90 HZ1 LYS 90 11.941 -14.508 8.821 630 2HZ LYS 90 HZ2 LYS 90 11.917 -14.348 7.138 631 3HZ LYS 90 HZ3 LYS 90 11.664 -15.863 7.846 632 H GLU 91 HN GLU 91 9.200 -9.303 4.453 633 HA GLU 91 HA GLU 91 10.113 -7.655 6.673 634 1HB GLU 91 HB2 GLU 91 10.682 -7.426 3.712 635 2HB GLU 91 HB1 GLU 91 11.459 -6.492 4.982 636 1HG GLU 91 HG2 GLU 91 11.593 -9.440 5.195 637 2HG GLU 91 HG1 GLU 91 12.546 -8.671 3.927 638 H HIS 92 HN HIS 92 7.920 -6.948 7.188 639 HA HIS 92 HA HIS 92 6.246 -5.527 5.485 640 1HB HIS 92 HB2 HIS 92 6.660 -5.412 8.466 641 2HB HIS 92 HB1 HIS 92 5.447 -4.421 7.661 642 HD1 HIS 92 HD1 HIS 92 4.446 -6.410 9.669 643 HD2 HIS 92 HD2 HIS 92 4.982 -7.358 5.658 644 HE1 HIS 92 HE1 HIS 92 2.951 -8.386 9.240 645 HE2 HIS 92 HE2 HIS 92 3.220 -8.881 6.784 646 H ARG 93 HN ARG 93 9.140 -4.512 7.146 647 HA ARG 93 HA ARG 93 8.744 -1.716 6.924 648 1HB ARG 93 HB2 ARG 93 11.167 -3.446 7.340 649 2HB ARG 93 HB1 ARG 93 11.319 -1.705 7.142 650 1HG ARG 93 HG2 ARG 93 9.464 -1.716 9.041 651 2HG ARG 93 HG1 ARG 93 10.213 -3.274 9.396 652 1HD ARG 93 HD2 ARG 93 12.436 -1.908 9.207 653 2HD ARG 93 HD1 ARG 93 11.383 -0.529 9.517 654 HE ARG 93 HE ARG 93 11.248 -1.188 11.696 655 1HH1 ARG 93 HH11 ARG 93 12.309 -3.911 9.788 656 2HH1 ARG 93 HH12 ARG 93 12.591 -4.924 11.163 657 1HH2 ARG 93 HH21 ARG 93 11.619 -2.519 13.506 658 2HH2 ARG 93 HH22 ARG 93 12.199 -4.135 13.274 659 H ARG 94 HN ARG 94 10.135 -4.133 4.788 660 HA ARG 94 HA ARG 94 11.298 -2.316 2.948 661 1HB ARG 94 HB2 ARG 94 10.904 -5.188 3.160 662 2HB ARG 94 HB1 ARG 94 10.686 -4.622 1.510 663 1HG ARG 94 HG2 ARG 94 12.881 -4.592 1.256 664 2HG ARG 94 HG1 ARG 94 12.993 -3.346 2.501 665 1HD ARG 94 HD2 ARG 94 13.652 -4.811 4.099 666 2HD ARG 94 HD1 ARG 94 12.670 -6.123 3.451 667 HE ARG 94 HE ARG 94 14.476 -6.828 2.245 668 1HH1 ARG 94 HH11 ARG 94 15.045 -3.547 3.289 669 2HH1 ARG 94 HH12 ARG 94 16.686 -3.523 2.736 670 1HH2 ARG 94 HH21 ARG 94 16.634 -6.799 1.518 671 2HH2 ARG 94 HH22 ARG 94 17.588 -5.369 1.730 672 H ILE 95 HN ILE 95 8.233 -4.127 2.894 673 HA ILE 95 HA ILE 95 7.279 -3.190 0.447 674 HB ILE 95 HB ILE 95 5.599 -3.863 2.862 675 1HG1 ILE 95 HG12 ILE 95 6.804 -5.627 0.721 676 2HG1 ILE 95 HG11 ILE 95 7.121 -5.690 2.451 677 1HG2 ILE 95 HG21 ILE 95 4.989 -3.867 -0.091 678 2HG2 ILE 95 HG22 ILE 95 4.321 -2.780 1.126 679 3HG2 ILE 95 HG23 ILE 95 3.918 -4.496 1.160 680 1HD1 ILE 95 HD11 ILE 95 5.457 -7.110 2.740 681 2HD1 ILE 95 HD12 ILE 95 5.232 -7.144 0.991 682 3HD1 ILE 95 HD13 ILE 95 4.321 -6.000 1.975 683 H TYR 96 HN TYR 96 6.609 -1.940 3.716 684 HA TYR 96 HA TYR 96 4.944 0.158 3.117 685 1HB TYR 96 HB2 TYR 96 6.003 -0.711 5.387 686 2HB TYR 96 HB1 TYR 96 7.111 0.629 5.117 687 HD1 TYR 96 HD1 TYR 96 6.377 2.909 5.334 688 HD2 TYR 96 HD2 TYR 96 3.617 -0.297 5.797 689 HE1 TYR 96 HE1 TYR 96 4.748 4.464 6.319 690 HE2 TYR 96 HE2 TYR 96 1.978 1.252 6.782 691 HH TYR 96 HH TYR 96 2.805 4.439 7.740 692 H ALA 97 HN ALA 97 8.469 0.062 2.896 693 HA ALA 97 HA ALA 97 8.715 2.824 2.161 694 1HB ALA 97 HB1 ALA 97 10.673 2.147 3.102 695 2HB ALA 97 HB2 ALA 97 11.071 1.850 1.410 696 3HB ALA 97 HB3 ALA 97 10.556 0.516 2.443 697 H MET 98 HN MET 98 8.671 -0.261 0.443 698 HA MET 98 HA MET 98 9.363 0.644 -2.104 699 1HB MET 98 HB2 MET 98 7.550 -1.621 -1.259 700 2HB MET 98 HB1 MET 98 8.068 -1.357 -2.917 701 1HG MET 98 HG2 MET 98 10.242 -1.960 -2.482 702 2HG MET 98 HG1 MET 98 10.115 -1.583 -0.765 703 1HE MET 98 HE1 MET 98 7.126 -4.193 -2.190 704 2HE MET 98 HE2 MET 98 8.391 -5.118 -2.998 705 3HE MET 98 HE3 MET 98 8.193 -3.401 -3.349 706 H ILE 99 HN ILE 99 6.053 -0.111 -1.006 707 HA ILE 99 HA ILE 99 4.703 1.069 -3.125 708 HB ILE 99 HB ILE 99 2.774 1.299 -1.503 709 1HG1 ILE 99 HG12 ILE 99 3.626 -0.337 0.579 710 2HG1 ILE 99 HG11 ILE 99 4.958 0.794 0.364 711 1HG2 ILE 99 HG21 ILE 99 2.730 -1.261 -1.100 712 2HG2 ILE 99 HG22 ILE 99 4.230 -1.258 -2.027 713 3HG2 ILE 99 HG23 ILE 99 2.744 -0.646 -2.753 714 1HD1 ILE 99 HD11 ILE 99 3.005 2.558 0.357 715 2HD1 ILE 99 HD12 ILE 99 3.693 1.942 1.860 716 3HD1 ILE 99 HD13 ILE 99 2.173 1.286 1.251 717 H SER 100 HN SER 100 6.073 2.522 -0.253 718 HA SER 100 HA SER 100 4.735 4.982 -0.300 719 1HB SER 100 HB2 SER 100 7.282 3.973 0.859 720 2HB SER 100 HB1 SER 100 7.096 5.722 0.729 721 HG SER 100 HG SER 100 5.588 3.875 2.216 722 H ARG 101 HN ARG 101 7.872 4.077 -1.720 723 HA ARG 101 HA ARG 101 8.425 6.541 -2.927 724 1HB ARG 101 HB2 ARG 101 9.248 3.789 -3.867 725 2HB ARG 101 HB1 ARG 101 10.006 5.306 -4.331 726 1HG ARG 101 HG2 ARG 101 10.871 5.649 -2.162 727 2HG ARG 101 HG1 ARG 101 9.863 4.371 -1.480 728 1HD ARG 101 HD2 ARG 101 12.141 3.591 -1.706 729 2HD ARG 101 HD1 ARG 101 11.096 2.715 -2.821 730 HE ARG 101 HE ARG 101 13.153 4.666 -3.510 731 1HH1 ARG 101 HH11 ARG 101 10.580 2.559 -4.591 732 2HH1 ARG 101 HH12 ARG 101 11.089 2.588 -6.244 733 1HH2 ARG 101 HH21 ARG 101 13.816 4.697 -5.684 734 2HH2 ARG 101 HH22 ARG 101 12.923 3.799 -6.865 735 H ASN 102 HN ASN 102 6.161 4.099 -3.775 736 HA ASN 102 HA ASN 102 5.914 5.074 -6.518 737 1HB ASN 102 HB2 ASN 102 4.670 2.740 -5.062 738 2HB ASN 102 HB1 ASN 102 4.229 3.196 -6.705 739 1HD2 ASN 102 HD21 ASN 102 5.210 0.710 -6.195 740 2HD2 ASN 102 HD22 ASN 102 6.795 0.553 -6.864 741 H LEU 103 HN LEU 103 5.198 6.876 -4.445 742 HA LEU 103 HA LEU 103 2.276 7.026 -4.802 743 1HB LEU 103 HB2 LEU 103 3.943 8.217 -2.584 744 2HB LEU 103 HB1 LEU 103 2.201 8.341 -2.740 745 HG LEU 103 HG LEU 103 3.680 5.737 -2.367 746 1HD1 LEU 103 HD11 LEU 103 2.562 5.909 -0.061 747 2HD1 LEU 103 HD12 LEU 103 2.454 7.636 -0.402 748 3HD1 LEU 103 HD13 LEU 103 4.029 6.845 -0.351 749 1HD2 LEU 103 HD21 LEU 103 1.432 4.888 -1.805 750 2HD2 LEU 103 HD22 LEU 103 1.548 5.460 -3.470 751 3HD2 LEU 103 HD23 LEU 103 0.754 6.454 -2.249 752 H VAL 104 HN VAL 104 1.896 8.382 -6.441 753 HA VAL 104 HA VAL 104 3.558 10.350 -7.431 754 HB VAL 104 HB VAL 104 1.258 11.446 -8.175 755 1HG1 VAL 104 HG11 VAL 104 3.023 10.131 -9.486 756 2HG1 VAL 104 HG12 VAL 104 1.385 10.187 -10.138 757 3HG1 VAL 104 HG13 VAL 104 1.948 8.747 -9.288 758 1HG2 VAL 104 HG21 VAL 104 -0.635 10.283 -7.836 759 2HG2 VAL 104 HG22 VAL 104 0.248 9.549 -6.500 760 3HG2 VAL 104 HG23 VAL 104 0.164 8.727 -8.056 761 H SER 105 HN SER 105 0.509 11.396 -5.937 762 HA SER 105 HA SER 105 2.003 13.586 -4.669 763 1HB SER 105 HB2 SER 105 -0.962 13.494 -5.257 764 2HB SER 105 HB1 SER 105 -0.015 14.896 -4.759 765 HG SER 105 HG SER 105 -0.514 14.649 -7.087 766 H ALA 106 HN ALA 106 2.317 13.379 -2.557 767 HA ALA 106 HA ALA 106 0.903 11.473 -0.970 768 1HB ALA 106 HB1 ALA 106 3.335 12.567 -0.755 769 2HB ALA 106 HB2 ALA 106 2.481 11.850 0.611 770 3HB ALA 106 HB3 ALA 106 2.459 13.598 0.376 771 H ASN 107 HN ASN 107 -1.039 11.732 -0.097 772 HA ASN 107 HA ASN 107 -2.268 14.339 0.032 773 1HB ASN 107 HB2 ASN 107 -3.268 11.853 -0.401 774 2HB ASN 107 HB1 ASN 107 -3.637 12.052 1.309 775 1HD2 ASN 107 HD21 ASN 107 -4.390 12.990 -1.897 776 2HD2 ASN 107 HD22 ASN 107 -5.716 14.031 -1.520 777 H VAL 108 HN VAL 108 -1.892 15.673 1.663 778 HA VAL 108 HA VAL 108 -1.696 14.547 4.376 779 HB VAL 108 HB VAL 108 0.488 15.476 3.317 780 1HG1 VAL 108 HG11 VAL 108 -0.532 17.579 2.511 781 2HG1 VAL 108 HG12 VAL 108 0.852 17.847 3.570 782 3HG1 VAL 108 HG13 VAL 108 -0.786 18.065 4.187 783 1HG2 VAL 108 HG21 VAL 108 1.297 15.630 5.416 784 2HG2 VAL 108 HG22 VAL 108 -0.317 15.070 5.854 785 3HG2 VAL 108 HG23 VAL 108 0.069 16.790 5.920 786 H LYS 109 HN LYS 109 -2.303 16.046 6.099 787 HA LYS 109 HA LYS 109 -4.768 17.326 5.539 788 1HB LYS 109 HB2 LYS 109 -3.535 16.357 7.800 789 2HB LYS 109 HB1 LYS 109 -3.478 18.095 8.057 790 1HG LYS 109 HG2 LYS 109 -6.069 17.550 7.155 791 2HG LYS 109 HG1 LYS 109 -5.686 16.281 8.319 792 1HD LYS 109 HD2 LYS 109 -5.071 17.969 9.970 793 2HD LYS 109 HD1 LYS 109 -5.410 19.248 8.803 794 1HE LYS 109 HE2 LYS 109 -7.577 17.301 9.308 795 2HE LYS 109 HE1 LYS 109 -7.188 18.407 10.625 796 1HZ LYS 109 HZ1 LYS 109 -8.304 18.983 7.981 797 2HZ LYS 109 HZ2 LYS 109 -7.302 20.149 8.686 798 3HZ LYS 109 HZ3 LYS 109 -8.703 19.642 9.487 799 H GLU 110 HN GLU 110 -5.282 19.429 5.232 800 HA GLU 110 HA GLU 110 -3.335 21.214 4.279 801 1HB GLU 110 HB2 GLU 110 -6.116 21.872 5.267 802 2HB GLU 110 HB1 GLU 110 -5.126 22.866 4.207 803 1HG GLU 110 HG2 GLU 110 -5.346 21.366 2.416 804 2HG GLU 110 HG1 GLU 110 -5.956 20.083 3.460 805 H SER 111 HN SER 111 -4.833 20.840 7.436 806 HA SER 111 HA SER 111 -3.386 23.162 8.461 807 1HB SER 111 HB2 SER 111 -5.773 22.868 9.071 808 2HB SER 111 HB1 SER 111 -5.361 21.353 9.874 809 HG SER 111 HG SER 111 -4.291 23.896 10.541 810 H SER 112 HN SER 112 -1.845 23.047 10.077 811 HA SER 112 HA SER 112 -0.909 20.356 10.813 812 1HB SER 112 HB2 SER 112 0.927 22.674 10.183 813 2HB SER 112 HB1 SER 112 1.384 21.000 10.496 814 HG SER 112 HG SER 112 0.618 20.410 8.545 815 H GLU 113 HN GLU 113 -1.586 20.324 12.895 816 HA GLU 113 HA GLU 113 -1.435 22.584 14.630 817 1HB GLU 113 HB2 GLU 113 -1.791 19.672 15.361 818 2HB GLU 113 HB1 GLU 113 -2.169 21.059 16.374 819 1HG GLU 113 HG2 GLU 113 -4.244 20.814 15.611 820 2HG GLU 113 HG1 GLU 113 -3.642 21.582 14.143 821 H ASP 114 HN ASP 114 -0.023 22.993 16.318 822 HA ASP 114 HA ASP 114 2.587 21.693 16.066 823 1HB ASP 114 HB2 ASP 114 3.454 23.625 17.314 824 2HB ASP 114 HB1 ASP 114 2.550 24.137 15.891 825 H ILE 115 HN ILE 115 3.718 20.913 17.880 826 HA ILE 115 HA ILE 115 2.018 20.243 20.167 827 HB ILE 115 HB ILE 115 4.503 18.773 19.289 828 1HG1 ILE 115 HG12 ILE 115 1.617 18.018 18.779 829 2HG1 ILE 115 HG11 ILE 115 2.711 18.669 17.562 830 1HG2 ILE 115 HG21 ILE 115 2.275 17.840 21.084 831 2HG2 ILE 115 HG22 ILE 115 3.739 18.622 21.682 832 3HG2 ILE 115 HG23 ILE 115 3.848 17.086 20.823 833 1HD1 ILE 115 HD11 ILE 115 2.369 15.970 18.436 834 2HD1 ILE 115 HD12 ILE 115 4.036 16.481 18.702 835 3HD1 ILE 115 HD13 ILE 115 3.323 16.600 17.093 836 H PHE 116 HN PHE 116 2.425 21.761 21.598 837 HA PHE 116 HA PHE 116 4.913 23.044 22.005 838 1HB PHE 116 HB2 PHE 116 2.404 22.882 23.671 839 2HB PHE 116 HB1 PHE 116 3.816 23.797 24.187 840 HD1 PHE 116 HD1 PHE 116 0.732 24.184 22.823 841 HD2 PHE 116 HD2 PHE 116 4.773 25.272 22.049 842 HE1 PHE 116 HE1 PHE 116 -0.043 26.110 21.503 843 HE2 PHE 116 HE2 PHE 116 4.005 27.201 20.729 844 HZ PHE 116 HZ PHE 116 1.594 27.622 20.455 845 H GLY 117 HN GLY 117 3.471 20.153 23.314 846 1HA GLY 117 HA2 GLY 117 4.722 18.406 24.290 847 2HA GLY 117 HA1 GLY 117 5.997 19.557 24.660 848 H ASN 118 HN ASN 118 3.757 21.382 25.725 849 HA ASN 118 HA ASN 118 3.628 20.108 28.372 850 1HB ASN 118 HB2 ASN 118 3.779 22.978 27.496 851 2HB ASN 118 HB1 ASN 118 3.144 22.561 29.085 852 1HD2 ASN 118 HD21 ASN 118 4.553 21.191 30.441 853 2HD2 ASN 118 HD22 ASN 118 6.258 21.458 30.366 854 H VAL 119 HN VAL 119 1.724 19.173 28.717 855 HA VAL 119 HA VAL 119 -0.519 18.819 28.863 856 HB VAL 119 HB VAL 119 -0.815 21.806 28.543 857 1HG1 VAL 119 HG11 VAL 119 -2.948 21.582 29.246 858 2HG1 VAL 119 HG12 VAL 119 -2.564 20.246 30.332 859 3HG1 VAL 119 HG13 VAL 119 -2.762 19.950 28.604 860 1HG2 VAL 119 HG21 VAL 119 0.117 20.160 30.844 861 2HG2 VAL 119 HG22 VAL 119 -0.893 21.571 31.162 862 3HG2 VAL 119 HG23 VAL 119 0.642 21.758 30.313 863 H30 IMY 120 1H30 IMY 120 2.937 -16.433 5.797 864 1H30 IMY 120 2H30 IMY 120 4.426 -16.102 4.828 865 2H30 IMY 120 3H30 IMY 120 3.642 -17.685 4.764 866 H26 IMY 120 H26 IMY 120 3.260 -14.080 5.387 867 H25 IMY 120 H25 IMY 120 2.145 -11.930 5.298 868 H31 IMY 120 H31 IMY 120 -1.145 -15.061 1.015 869 1H32 IMY 120 1H32 IMY 120 -1.307 -12.444 -0.616 870 2H32 IMY 120 2H32 IMY 120 -1.855 -14.041 -1.151 871 3H32 IMY 120 3H32 IMY 120 -2.707 -13.176 0.144 872 1H33 IMY 120 1H33 IMY 120 1.262 -14.714 0.852 873 2H33 IMY 120 2H33 IMY 120 0.556 -14.817 -0.770 874 3H33 IMY 120 3H33 IMY 120 1.042 -13.246 -0.087 875 H28 IMY 120 H28 IMY 120 0.759 -15.581 2.262 876 H4 IMY 120 H4 IMY 120 -0.682 -8.972 5.074 877 H3 IMY 120 H3 IMY 120 -1.667 -8.681 2.971 878 H18 IMY 120 H18 IMY 120 1.446 -10.193 1.369 879 H17 IMY 120 H17 IMY 120 2.676 -9.100 -0.427 880 H15 IMY 120 H15 IMY 120 0.183 -5.662 -0.160 881 H14 IMY 120 H14 IMY 120 -1.090 -6.693 1.682 882 H20 IMY 120 H20 IMY 120 -0.665 -6.570 5.503 883 H21 IMY 120 H21 IMY 120 0.688 -4.592 5.974 884 H23 IMY 120 H23 IMY 120 4.096 -6.447 4.127 885 H24 IMY 120 H24 IMY 120 2.815 -8.490 3.776 Start of MODEL 6 1 1H ASN 13 HT1 ASN 13 -9.468 15.039 20.204 2 2H ASN 13 HT2 ASN 13 -8.900 15.253 21.809 3 3H ASN 13 HT3 ASN 13 -10.565 15.469 21.449 4 HA ASN 13 HA ASN 13 -9.184 12.925 20.993 5 1HB ASN 13 HB2 ASN 13 -10.187 14.162 23.519 6 2HB ASN 13 HB1 ASN 13 -10.461 12.439 23.277 7 1HD2 ASN 13 HD21 ASN 13 -8.865 11.073 23.715 8 2HD2 ASN 13 HD22 ASN 13 -7.234 11.521 24.069 9 H HIS 14 HN HIS 14 -11.237 14.426 19.517 10 HA HIS 14 HA HIS 14 -13.809 13.407 20.139 11 1HB HIS 14 HB2 HIS 14 -14.333 14.105 17.756 12 2HB HIS 14 HB1 HIS 14 -13.718 15.373 18.810 13 HD1 HIS 14 HD1 HIS 14 -11.010 13.212 17.760 14 HD2 HIS 14 HD2 HIS 14 -13.007 16.492 16.171 15 HE1 HIS 14 HE1 HIS 14 -9.506 14.105 15.953 16 HE2 HIS 14 HE2 HIS 14 -10.774 16.036 14.948 17 H ILE 15 HN ILE 15 -13.781 11.186 20.374 18 HA ILE 15 HA ILE 15 -13.513 9.677 17.876 19 HB ILE 15 HB ILE 15 -12.435 7.803 19.157 20 1HG1 ILE 15 HG12 ILE 15 -11.824 9.966 21.180 21 2HG1 ILE 15 HG11 ILE 15 -13.050 8.724 21.414 22 1HG2 ILE 15 HG21 ILE 15 -10.168 9.132 19.307 23 2HG2 ILE 15 HG22 ILE 15 -11.118 10.392 18.519 24 3HG2 ILE 15 HG23 ILE 15 -10.939 8.813 17.754 25 1HD1 ILE 15 HD11 ILE 15 -10.842 7.249 20.772 26 2HD1 ILE 15 HD12 ILE 15 -11.424 7.575 22.405 27 3HD1 ILE 15 HD13 ILE 15 -10.158 8.582 21.702 28 H SER 16 HN SER 16 -14.405 7.399 18.167 29 HA SER 16 HA SER 16 -16.314 6.991 20.271 30 1HB SER 16 HB2 SER 16 -18.244 6.798 18.573 31 2HB SER 16 HB1 SER 16 -17.756 8.418 19.072 32 HG SER 16 HG SER 16 -16.791 7.128 16.739 33 H THR 17 HN THR 17 -16.287 4.890 20.667 34 HA THR 17 HA THR 17 -16.155 2.637 20.417 35 HB THR 17 HB THR 17 -16.779 3.218 17.514 36 HG1 THR 17 HG1 THR 17 -18.412 2.724 19.766 37 1HG2 THR 17 HG21 THR 17 -15.868 0.892 18.159 38 2HG2 THR 17 HG22 THR 17 -17.337 1.008 17.190 39 3HG2 THR 17 HG23 THR 17 -17.445 0.672 18.918 40 H SER 18 HN SER 18 -14.890 3.645 17.243 41 HA SER 18 HA SER 18 -12.352 2.332 17.953 42 1HB SER 18 HB2 SER 18 -13.816 2.591 15.338 43 2HB SER 18 HB1 SER 18 -12.083 2.265 15.377 44 HG SER 18 HG SER 18 -13.539 0.385 15.326 45 H ASP 19 HN ASP 19 -10.390 3.263 17.059 46 HA ASP 19 HA ASP 19 -10.608 6.184 16.724 47 1HB ASP 19 HB2 ASP 19 -8.356 6.331 17.744 48 2HB ASP 19 HB1 ASP 19 -9.542 5.625 18.838 49 H GLN 20 HN GLN 20 -9.799 7.047 14.920 50 HA GLN 20 HA GLN 20 -8.714 5.332 12.890 51 1HB GLN 20 HB2 GLN 20 -9.077 8.333 12.921 52 2HB GLN 20 HB1 GLN 20 -8.676 7.369 11.506 53 1HG GLN 20 HG2 GLN 20 -10.857 7.279 11.117 54 2HG GLN 20 HG1 GLN 20 -10.947 6.153 12.470 55 1HE2 GLN 20 HE21 GLN 20 -12.066 6.719 14.228 56 2HE2 GLN 20 HE22 GLN 20 -12.773 8.272 14.497 57 H GLU 21 HN GLU 21 -6.705 5.777 11.742 58 HA GLU 21 HA GLU 21 -4.640 6.990 13.454 59 1HB GLU 21 HB2 GLU 21 -4.169 4.544 11.758 60 2HB GLU 21 HB1 GLU 21 -3.121 5.219 12.998 61 1HG GLU 21 HG2 GLU 21 -4.790 4.624 14.702 62 2HG GLU 21 HG1 GLU 21 -5.787 3.895 13.444 63 H LYS 22 HN LYS 22 -2.515 7.203 12.088 64 HA LYS 22 HA LYS 22 -2.935 9.117 10.129 65 1HB LYS 22 HB2 LYS 22 -0.599 9.014 9.677 66 2HB LYS 22 HB1 LYS 22 -0.811 8.712 11.396 67 1HG LYS 22 HG2 LYS 22 0.702 7.097 10.873 68 2HG LYS 22 HG1 LYS 22 -0.799 6.203 10.633 69 1HD LYS 22 HD2 LYS 22 -0.033 5.728 8.589 70 2HD LYS 22 HD1 LYS 22 -0.369 7.414 8.189 71 1HE LYS 22 HE2 LYS 22 1.881 6.939 7.539 72 2HE LYS 22 HE1 LYS 22 1.936 7.979 8.961 73 1HZ LYS 22 HZ1 LYS 22 2.222 5.898 10.293 74 2HZ LYS 22 HZ2 LYS 22 3.522 6.276 9.279 75 3HZ LYS 22 HZ3 LYS 22 2.432 5.059 8.838 76 H LEU 23 HN LEU 23 -3.381 9.078 8.011 77 HA LEU 23 HA LEU 23 -3.567 6.449 6.723 78 1HB LEU 23 HB2 LEU 23 -4.750 8.961 5.600 79 2HB LEU 23 HB1 LEU 23 -5.240 7.300 5.334 80 HG LEU 23 HG LEU 23 -5.518 8.133 8.124 81 1HD1 LEU 23 HD11 LEU 23 -6.937 9.637 5.948 82 2HD1 LEU 23 HD12 LEU 23 -6.075 10.275 7.348 83 3HD1 LEU 23 HD13 LEU 23 -7.620 9.454 7.563 84 1HD2 LEU 23 HD21 LEU 23 -6.501 6.160 6.552 85 2HD2 LEU 23 HD22 LEU 23 -7.845 7.302 6.533 86 3HD2 LEU 23 HD23 LEU 23 -7.235 6.683 8.068 87 H VAL 24 HN VAL 24 -2.684 6.051 4.712 88 HA VAL 24 HA VAL 24 -0.684 8.015 3.817 89 HB VAL 24 HB VAL 24 0.190 5.818 2.577 90 1HG1 VAL 24 HG11 VAL 24 0.764 6.404 5.478 91 2HG1 VAL 24 HG12 VAL 24 1.451 7.276 4.108 92 3HG1 VAL 24 HG13 VAL 24 1.824 5.568 4.343 93 1HG2 VAL 24 HG21 VAL 24 -1.248 4.778 5.014 94 2HG2 VAL 24 HG22 VAL 24 0.051 3.899 4.206 95 3HG2 VAL 24 HG23 VAL 24 -1.442 4.262 3.338 96 H GLN 25 HN GLN 25 -0.292 8.060 1.427 97 HA GLN 25 HA GLN 25 -2.751 7.391 -0.052 98 1HB GLN 25 HB2 GLN 25 -2.644 9.791 0.365 99 2HB GLN 25 HB1 GLN 25 -1.037 9.860 -0.340 100 1HG GLN 25 HG2 GLN 25 -2.180 10.521 -2.157 101 2HG GLN 25 HG1 GLN 25 -2.368 8.786 -2.396 102 1HE2 GLN 25 HE21 GLN 25 -3.932 11.299 -0.432 103 2HE2 GLN 25 HE22 GLN 25 -5.549 10.869 -0.865 104 HA PRO 26 HA PRO 26 0.504 4.963 -2.193 105 1HB PRO 26 HB2 PRO 26 -2.016 4.141 -3.566 106 2HB PRO 26 HB1 PRO 26 -0.682 3.141 -2.982 107 1HG PRO 26 HG2 PRO 26 -2.956 3.237 -1.626 108 2HG PRO 26 HG1 PRO 26 -1.405 3.252 -0.766 109 1HD PRO 26 HD2 PRO 26 -3.288 5.507 -1.322 110 2HD PRO 26 HD1 PRO 26 -2.319 5.179 0.129 111 H THR 27 HN THR 27 1.008 4.747 -4.522 112 HA THR 27 HA THR 27 0.653 7.270 -5.867 113 HB THR 27 HB THR 27 1.999 5.981 -7.691 114 HG1 THR 27 HG1 THR 27 2.058 3.934 -7.176 115 1HG2 THR 27 HG21 THR 27 3.099 6.663 -4.987 116 2HG2 THR 27 HG22 THR 27 3.170 7.609 -6.473 117 3HG2 THR 27 HG23 THR 27 4.117 6.129 -6.324 118 HA PRO 28 HA PRO 28 -2.691 6.572 -8.629 119 1HB PRO 28 HB2 PRO 28 -1.338 6.693 -11.113 120 2HB PRO 28 HB1 PRO 28 -2.159 8.016 -10.283 121 1HG PRO 28 HG2 PRO 28 0.727 7.331 -10.361 122 2HG PRO 28 HG1 PRO 28 -0.056 8.912 -10.200 123 1HD PRO 28 HD2 PRO 28 1.132 7.706 -8.115 124 2HD PRO 28 HD1 PRO 28 -0.341 8.680 -7.913 125 H LEU 29 HN LEU 29 0.290 4.834 -9.452 126 HA LEU 29 HA LEU 29 -0.996 2.776 -10.931 127 1HB LEU 29 HB2 LEU 29 1.384 3.288 -11.196 128 2HB LEU 29 HB1 LEU 29 1.685 2.789 -9.543 129 HG LEU 29 HG LEU 29 1.194 0.498 -10.064 130 1HD1 LEU 29 HD11 LEU 29 -0.654 0.951 -11.645 131 2HD1 LEU 29 HD12 LEU 29 0.489 -0.253 -12.239 132 3HD1 LEU 29 HD13 LEU 29 0.538 1.396 -12.866 133 1HD2 LEU 29 HD21 LEU 29 3.447 1.353 -10.604 134 2HD2 LEU 29 HD22 LEU 29 2.913 1.645 -12.259 135 3HD2 LEU 29 HD23 LEU 29 2.963 0.000 -11.625 136 H LEU 30 HN LEU 30 0.464 2.757 -7.671 137 HA LEU 30 HA LEU 30 -0.406 0.237 -6.891 138 1HB LEU 30 HB2 LEU 30 1.201 1.821 -5.696 139 2HB LEU 30 HB1 LEU 30 -0.221 2.599 -5.030 140 HG LEU 30 HG LEU 30 -0.803 0.695 -3.753 141 1HD1 LEU 30 HD11 LEU 30 0.699 -1.400 -3.968 142 2HD1 LEU 30 HD12 LEU 30 1.078 -0.759 -5.567 143 3HD1 LEU 30 HD13 LEU 30 -0.591 -1.143 -5.143 144 1HD2 LEU 30 HD21 LEU 30 0.782 1.526 -2.397 145 2HD2 LEU 30 HD22 LEU 30 1.984 1.616 -3.684 146 3HD2 LEU 30 HD23 LEU 30 1.688 0.085 -2.860 147 H LEU 31 HN LEU 31 -2.021 3.356 -6.736 148 HA LEU 31 HA LEU 31 -4.233 2.870 -5.220 149 1HB LEU 31 HB2 LEU 31 -3.509 4.689 -7.336 150 2HB LEU 31 HB1 LEU 31 -5.201 4.250 -7.474 151 HG LEU 31 HG LEU 31 -3.890 5.433 -5.026 152 1HD1 LEU 31 HD11 LEU 31 -4.453 6.781 -7.264 153 2HD1 LEU 31 HD12 LEU 31 -4.633 7.474 -5.652 154 3HD1 LEU 31 HD13 LEU 31 -6.040 6.827 -6.495 155 1HD2 LEU 31 HD21 LEU 31 -5.801 5.123 -3.876 156 2HD2 LEU 31 HD22 LEU 31 -6.035 3.799 -5.017 157 3HD2 LEU 31 HD23 LEU 31 -6.819 5.354 -5.298 158 H SER 32 HN SER 32 -4.200 2.435 -8.769 159 HA SER 32 HA SER 32 -6.653 1.218 -9.064 160 1HB SER 32 HB2 SER 32 -4.082 1.028 -10.602 161 2HB SER 32 HB1 SER 32 -5.433 -0.015 -11.042 162 HG SER 32 HG SER 32 -5.384 2.024 -12.166 163 H LEU 33 HN LEU 33 -3.557 -0.315 -8.192 164 HA LEU 33 HA LEU 33 -4.400 -2.980 -8.317 165 1HB LEU 33 HB2 LEU 33 -2.590 -2.062 -6.119 166 2HB LEU 33 HB1 LEU 33 -2.529 -3.540 -7.046 167 HG LEU 33 HG LEU 33 -1.672 -0.795 -7.943 168 1HD1 LEU 33 HD11 LEU 33 0.412 -1.464 -7.529 169 2HD1 LEU 33 HD12 LEU 33 0.148 -3.031 -8.292 170 3HD1 LEU 33 HD13 LEU 33 -0.305 -2.784 -6.605 171 1HD2 LEU 33 HD21 LEU 33 -1.881 -3.332 -9.563 172 2HD2 LEU 33 HD22 LEU 33 -1.104 -1.840 -10.094 173 3HD2 LEU 33 HD23 LEU 33 -2.840 -1.869 -9.784 174 H LEU 34 HN LEU 34 -4.924 -0.480 -5.948 175 HA LEU 34 HA LEU 34 -6.098 -2.205 -3.965 176 1HB LEU 34 HB2 LEU 34 -6.458 0.782 -4.187 177 2HB LEU 34 HB1 LEU 34 -6.580 -0.208 -2.747 178 HG LEU 34 HG LEU 34 -3.990 0.149 -4.239 179 1HD1 LEU 34 HD11 LEU 34 -5.240 2.254 -3.196 180 2HD1 LEU 34 HD12 LEU 34 -3.490 2.049 -3.116 181 3HD1 LEU 34 HD13 LEU 34 -4.493 1.626 -1.727 182 1HD2 LEU 34 HD21 LEU 34 -3.388 -0.286 -1.641 183 2HD2 LEU 34 HD22 LEU 34 -3.504 -1.557 -2.858 184 3HD2 LEU 34 HD23 LEU 34 -4.872 -1.224 -1.797 185 H LYS 35 HN LYS 35 -7.129 -0.281 -6.674 186 HA LYS 35 HA LYS 35 -9.867 -0.093 -6.214 187 1HB LYS 35 HB2 LYS 35 -8.058 0.058 -8.542 188 2HB LYS 35 HB1 LYS 35 -9.721 -0.334 -8.923 189 1HG LYS 35 HG2 LYS 35 -9.345 2.031 -9.101 190 2HG LYS 35 HG1 LYS 35 -10.450 1.696 -7.779 191 1HD LYS 35 HD2 LYS 35 -7.518 2.019 -7.273 192 2HD LYS 35 HD1 LYS 35 -8.558 3.428 -7.447 193 1HE LYS 35 HE2 LYS 35 -8.683 1.267 -5.366 194 2HE LYS 35 HE1 LYS 35 -8.461 2.998 -5.136 195 1HZ LYS 35 HZ1 LYS 35 -10.810 3.013 -6.328 196 2HZ LYS 35 HZ2 LYS 35 -10.650 2.858 -4.652 197 3HZ LYS 35 HZ3 LYS 35 -10.908 1.486 -5.606 198 H SER 36 HN SER 36 -7.907 -2.704 -7.498 199 HA SER 36 HA SER 36 -10.255 -4.339 -8.051 200 1HB SER 36 HB2 SER 36 -7.729 -4.166 -9.215 201 2HB SER 36 HB1 SER 36 -7.690 -5.689 -8.327 202 HG SER 36 HG SER 36 -9.649 -6.248 -9.414 203 H ALA 37 HN ALA 37 -7.867 -3.876 -5.609 204 HA ALA 37 HA ALA 37 -8.150 -6.473 -4.408 205 1HB ALA 37 HB1 ALA 37 -6.819 -5.461 -2.555 206 2HB ALA 37 HB2 ALA 37 -6.844 -3.936 -3.437 207 3HB ALA 37 HB3 ALA 37 -6.057 -5.347 -4.141 208 H GLY 38 HN GLY 38 -10.257 -3.954 -4.596 209 1HA GLY 38 HA2 GLY 38 -12.372 -4.063 -3.489 210 2HA GLY 38 HA1 GLY 38 -11.571 -4.785 -2.101 211 H ALA 39 HN ALA 39 -10.528 -1.934 -3.881 212 HA ALA 39 HA ALA 39 -10.866 -0.374 -1.415 213 1HB ALA 39 HB1 ALA 39 -8.545 -0.731 -2.336 214 2HB ALA 39 HB2 ALA 39 -9.012 0.944 -2.057 215 3HB ALA 39 HB3 ALA 39 -9.018 0.292 -3.693 216 H GLN 40 HN GLN 40 -11.770 1.776 -1.550 217 HA GLN 40 HA GLN 40 -13.073 2.383 -4.121 218 1HB GLN 40 HB2 GLN 40 -14.183 2.168 -1.408 219 2HB GLN 40 HB1 GLN 40 -14.654 3.630 -2.263 220 1HG GLN 40 HG2 GLN 40 -16.259 1.797 -2.549 221 2HG GLN 40 HG1 GLN 40 -15.563 2.338 -4.075 222 1HE2 GLN 40 HE21 GLN 40 -15.977 0.425 -5.134 223 2HE2 GLN 40 HE22 GLN 40 -15.124 -1.038 -4.793 224 H LYS 41 HN LYS 41 -11.940 3.806 -1.060 225 HA LYS 41 HA LYS 41 -11.932 6.474 -2.073 226 1HB LYS 41 HB2 LYS 41 -10.572 6.940 0.014 227 2HB LYS 41 HB1 LYS 41 -12.167 6.248 0.273 228 1HG LYS 41 HG2 LYS 41 -9.990 4.295 0.040 229 2HG LYS 41 HG1 LYS 41 -9.902 5.360 1.443 230 1HD LYS 41 HD2 LYS 41 -12.523 4.679 1.488 231 2HD LYS 41 HD1 LYS 41 -11.813 3.212 0.812 232 1HE LYS 41 HE2 LYS 41 -10.281 3.066 2.698 233 2HE LYS 41 HE1 LYS 41 -10.936 4.562 3.363 234 1HZ LYS 41 HZ1 LYS 41 -11.779 2.273 4.211 235 2HZ LYS 41 HZ2 LYS 41 -12.752 2.315 2.828 236 3HZ LYS 41 HZ3 LYS 41 -12.875 3.542 3.985 237 H GLU 42 HN GLU 42 -9.695 7.719 -1.644 238 HA GLU 42 HA GLU 42 -7.798 6.445 -3.478 239 1HB GLU 42 HB2 GLU 42 -7.775 9.322 -2.582 240 2HB GLU 42 HB1 GLU 42 -6.984 8.620 -3.986 241 1HG GLU 42 HG2 GLU 42 -8.777 9.649 -4.959 242 2HG GLU 42 HG1 GLU 42 -9.417 8.026 -4.706 243 H THR 43 HN THR 43 -8.102 7.630 -0.215 244 HA THR 43 HA THR 43 -5.251 7.057 0.248 245 HB THR 43 HB THR 43 -6.776 8.405 2.383 246 HG1 THR 43 HG1 THR 43 -7.653 9.705 0.952 247 1HG2 THR 43 HG21 THR 43 -4.750 9.985 2.100 248 2HG2 THR 43 HG22 THR 43 -4.085 8.667 1.136 249 3HG2 THR 43 HG23 THR 43 -4.523 8.392 2.822 250 H PHE 44 HN PHE 44 -4.634 5.796 2.036 251 HA PHE 44 HA PHE 44 -6.702 4.423 3.558 252 1HB PHE 44 HB2 PHE 44 -4.664 2.838 1.994 253 2HB PHE 44 HB1 PHE 44 -6.001 2.208 2.945 254 HD1 PHE 44 HD1 PHE 44 -5.172 4.154 -0.091 255 HD2 PHE 44 HD2 PHE 44 -8.083 1.832 1.973 256 HE1 PHE 44 HE1 PHE 44 -6.563 4.102 -2.119 257 HE2 PHE 44 HE2 PHE 44 -9.482 1.788 -0.054 258 HZ PHE 44 HZ PHE 44 -8.721 2.923 -2.099 259 H THR 45 HN THR 45 -5.922 3.415 5.458 260 HA THR 45 HA THR 45 -3.481 4.548 6.478 261 HB THR 45 HB THR 45 -4.094 3.098 8.510 262 HG1 THR 45 HG1 THR 45 -6.112 2.210 8.516 263 1HG2 THR 45 HG21 THR 45 -5.191 4.832 9.352 264 2HG2 THR 45 HG22 THR 45 -6.486 4.696 8.161 265 3HG2 THR 45 HG23 THR 45 -5.011 5.576 7.763 266 H MET 46 HN MET 46 -1.668 3.337 7.234 267 HA MET 46 HA MET 46 -0.532 1.588 5.532 268 1HB MET 46 HB2 MET 46 0.203 2.675 7.909 269 2HB MET 46 HB1 MET 46 0.097 0.971 8.338 270 1HG MET 46 HG2 MET 46 2.257 1.055 7.645 271 2HG MET 46 HG1 MET 46 1.457 0.679 6.120 272 1HE MET 46 HE1 MET 46 1.621 1.659 4.224 273 2HE MET 46 HE2 MET 46 3.368 1.906 4.276 274 3HE MET 46 HE3 MET 46 2.304 3.226 3.787 275 H LYS 47 HN LYS 47 -2.903 0.773 7.969 276 HA LYS 47 HA LYS 47 -2.472 -2.051 7.842 277 1HB LYS 47 HB2 LYS 47 -4.349 -0.218 9.168 278 2HB LYS 47 HB1 LYS 47 -5.060 -1.762 8.719 279 1HG LYS 47 HG2 LYS 47 -4.171 -1.753 11.007 280 2HG LYS 47 HG1 LYS 47 -3.383 -2.951 9.978 281 1HD LYS 47 HD2 LYS 47 -1.710 -1.835 11.302 282 2HD LYS 47 HD1 LYS 47 -1.526 -1.347 9.616 283 1HE LYS 47 HE2 LYS 47 -2.799 0.712 10.112 284 2HE LYS 47 HE1 LYS 47 -2.874 0.230 11.806 285 1HZ LYS 47 HZ1 LYS 47 -0.259 0.080 11.373 286 2HZ LYS 47 HZ2 LYS 47 -1.026 1.484 11.924 287 3HZ LYS 47 HZ3 LYS 47 -0.651 1.314 10.284 288 H GLU 48 HN GLU 48 -5.153 -0.008 6.636 289 HA GLU 48 HA GLU 48 -6.382 -2.002 5.104 290 1HB GLU 48 HB2 GLU 48 -6.380 0.912 4.355 291 2HB GLU 48 HB1 GLU 48 -7.638 -0.280 4.067 292 1HG GLU 48 HG2 GLU 48 -7.256 -0.202 6.845 293 2HG GLU 48 HG1 GLU 48 -7.274 1.473 6.297 294 H VAL 49 HN VAL 49 -3.907 0.378 4.246 295 HA VAL 49 HA VAL 49 -3.709 -0.117 1.518 296 HB VAL 49 HB VAL 49 -1.298 0.401 3.255 297 1HG1 VAL 49 HG11 VAL 49 -0.423 0.267 1.178 298 2HG1 VAL 49 HG12 VAL 49 -0.987 1.935 1.077 299 3HG1 VAL 49 HG13 VAL 49 -1.957 0.633 0.388 300 1HG2 VAL 49 HG21 VAL 49 -2.519 2.797 2.198 301 2HG2 VAL 49 HG22 VAL 49 -2.011 2.425 3.845 302 3HG2 VAL 49 HG23 VAL 49 -3.613 1.948 3.288 303 H LEU 50 HN LEU 50 -1.459 -1.389 3.958 304 HA LEU 50 HA LEU 50 -0.274 -3.334 2.381 305 1HB LEU 50 HB2 LEU 50 0.047 -2.426 4.920 306 2HB LEU 50 HB1 LEU 50 -0.616 -4.019 5.229 307 HG LEU 50 HG LEU 50 1.762 -3.596 3.429 308 1HD1 LEU 50 HD11 LEU 50 1.825 -2.853 6.019 309 2HD1 LEU 50 HD12 LEU 50 3.208 -3.517 5.148 310 3HD1 LEU 50 HD13 LEU 50 2.221 -4.566 6.166 311 1HD2 LEU 50 HD21 LEU 50 2.199 -5.943 3.970 312 2HD2 LEU 50 HD22 LEU 50 0.621 -5.731 3.212 313 3HD2 LEU 50 HD23 LEU 50 0.736 -5.986 4.954 314 H TYR 51 HN TYR 51 -3.396 -3.325 3.852 315 HA TYR 51 HA TYR 51 -3.772 -6.146 3.962 316 1HB TYR 51 HB2 TYR 51 -5.071 -4.474 5.301 317 2HB TYR 51 HB1 TYR 51 -5.902 -4.008 3.821 318 HD1 TYR 51 HD1 TYR 51 -5.298 -6.868 6.108 319 HD2 TYR 51 HD2 TYR 51 -7.765 -5.224 3.057 320 HE1 TYR 51 HE1 TYR 51 -6.938 -8.663 6.476 321 HE2 TYR 51 HE2 TYR 51 -9.412 -7.013 3.417 322 HH TYR 51 HH TYR 51 -8.736 -9.777 5.335 323 H HIS 52 HN HIS 52 -5.013 -3.661 1.699 324 HA HIS 52 HA HIS 52 -6.361 -5.369 -0.011 325 1HB HIS 52 HB2 HIS 52 -4.857 -3.067 -1.189 326 2HB HIS 52 HB1 HIS 52 -6.469 -3.648 -1.555 327 HD1 HIS 52 HD1 HIS 52 -8.135 -3.348 0.734 328 HD2 HIS 52 HD2 HIS 52 -4.980 -0.716 0.126 329 HE1 HIS 52 HE1 HIS 52 -8.707 -1.297 2.069 330 HE2 HIS 52 HE2 HIS 52 -6.705 0.213 1.814 331 H LEU 53 HN LEU 53 -2.907 -4.636 0.107 332 HA LEU 53 HA LEU 53 -2.109 -5.726 -2.319 333 1HB LEU 53 HB2 LEU 53 -0.750 -5.636 0.360 334 2HB LEU 53 HB1 LEU 53 0.017 -6.391 -1.020 335 HG LEU 53 HG LEU 53 0.950 -4.346 -1.241 336 1HD1 LEU 53 HD11 LEU 53 -0.066 -3.041 -2.909 337 2HD1 LEU 53 HD12 LEU 53 -1.689 -3.513 -2.406 338 3HD1 LEU 53 HD13 LEU 53 -0.633 -4.687 -3.192 339 1HD2 LEU 53 HD21 LEU 53 -0.904 -2.361 -0.569 340 2HD2 LEU 53 HD22 LEU 53 0.494 -2.895 0.365 341 3HD2 LEU 53 HD23 LEU 53 -1.084 -3.628 0.644 342 H GLY 54 HN GLY 54 -2.449 -7.386 0.819 343 1HA GLY 54 HA2 GLY 54 -1.761 -9.953 0.016 344 2HA GLY 54 HA1 GLY 54 -2.914 -9.590 1.296 345 H GLN 55 HN GLN 55 -4.766 -8.196 -0.392 346 HA GLN 55 HA GLN 55 -6.170 -10.479 -1.474 347 1HB GLN 55 HB2 GLN 55 -7.040 -7.598 -1.634 348 2HB GLN 55 HB1 GLN 55 -8.048 -9.038 -1.681 349 1HG GLN 55 HG2 GLN 55 -7.171 -9.461 0.703 350 2HG GLN 55 HG1 GLN 55 -6.692 -7.764 0.659 351 1HE2 GLN 55 HE21 GLN 55 -8.916 -9.589 1.923 352 2HE2 GLN 55 HE22 GLN 55 -10.320 -8.591 1.791 353 H TYR 56 HN TYR 56 -4.313 -7.781 -2.630 354 HA TYR 56 HA TYR 56 -5.188 -7.867 -5.339 355 1HB TYR 56 HB2 TYR 56 -4.191 -5.835 -4.529 356 2HB TYR 56 HB1 TYR 56 -2.734 -6.685 -4.027 357 HD1 TYR 56 HD1 TYR 56 -4.648 -5.491 -6.949 358 HD2 TYR 56 HD2 TYR 56 -0.974 -7.128 -5.569 359 HE1 TYR 56 HE1 TYR 56 -3.635 -5.043 -9.140 360 HE2 TYR 56 HE2 TYR 56 0.057 -6.669 -7.753 361 HH TYR 56 HH TYR 56 -1.343 -6.298 -10.403 362 H ILE 57 HN ILE 57 -2.251 -9.037 -3.700 363 HA ILE 57 HA ILE 57 -1.043 -10.233 -5.911 364 HB ILE 57 HB ILE 57 -0.869 -11.177 -3.047 365 1HG1 ILE 57 HG12 ILE 57 0.786 -9.116 -4.524 366 2HG1 ILE 57 HG11 ILE 57 -0.373 -8.778 -3.242 367 1HG2 ILE 57 HG21 ILE 57 0.334 -12.810 -3.999 368 2HG2 ILE 57 HG22 ILE 57 1.578 -11.574 -4.188 369 3HG2 ILE 57 HG23 ILE 57 0.487 -11.939 -5.525 370 1HD1 ILE 57 HD11 ILE 57 2.222 -8.965 -2.790 371 2HD1 ILE 57 HD12 ILE 57 1.818 -10.675 -2.641 372 3HD1 ILE 57 HD13 ILE 57 1.025 -9.487 -1.606 373 H MET 58 HN MET 58 -3.162 -11.697 -3.446 374 HA MET 58 HA MET 58 -3.198 -14.276 -4.546 375 1HB MET 58 HB2 MET 58 -5.109 -14.694 -3.143 376 2HB MET 58 HB1 MET 58 -3.977 -13.684 -2.255 377 1HG MET 58 HG2 MET 58 -5.322 -11.726 -2.710 378 2HG MET 58 HG1 MET 58 -6.431 -12.688 -3.685 379 1HE MET 58 HE1 MET 58 -8.540 -14.206 -2.422 380 2HE MET 58 HE2 MET 58 -7.907 -15.133 -1.061 381 3HE MET 58 HE3 MET 58 -7.028 -15.099 -2.590 382 H ALA 59 HN ALA 59 -5.241 -11.454 -5.127 383 HA ALA 59 HA ALA 59 -7.098 -12.758 -6.827 384 1HB ALA 59 HB1 ALA 59 -7.946 -10.777 -6.044 385 2HB ALA 59 HB2 ALA 59 -7.394 -10.272 -7.641 386 3HB ALA 59 HB3 ALA 59 -6.412 -9.924 -6.218 387 H LYS 60 HN LYS 60 -4.437 -10.506 -7.609 388 HA LYS 60 HA LYS 60 -4.535 -10.892 -10.384 389 1HB LYS 60 HB2 LYS 60 -2.496 -9.838 -8.472 390 2HB LYS 60 HB1 LYS 60 -2.011 -10.163 -10.129 391 1HG LYS 60 HG2 LYS 60 -2.666 -7.823 -9.746 392 2HG LYS 60 HG1 LYS 60 -3.652 -8.624 -10.971 393 1HD LYS 60 HD2 LYS 60 -5.374 -9.030 -9.224 394 2HD LYS 60 HD1 LYS 60 -4.403 -8.082 -8.100 395 1HE LYS 60 HE2 LYS 60 -5.648 -6.360 -8.828 396 2HE LYS 60 HE1 LYS 60 -4.565 -6.393 -10.219 397 1HZ LYS 60 HZ1 LYS 60 -6.235 -8.031 -11.193 398 2HZ LYS 60 HZ2 LYS 60 -6.687 -6.402 -11.134 399 3HZ LYS 60 HZ3 LYS 60 -7.297 -7.490 -9.992 400 H GLN 61 HN GLN 61 -3.200 -12.813 -7.841 401 HA GLN 61 HA GLN 61 -2.255 -14.876 -7.812 402 1HB GLN 61 HB2 GLN 61 -3.986 -15.351 -9.563 403 2HB GLN 61 HB1 GLN 61 -2.780 -14.969 -10.785 404 1HG GLN 61 HG2 GLN 61 -2.128 -17.078 -10.739 405 2HG GLN 61 HG1 GLN 61 -1.582 -16.841 -9.080 406 1HE2 GLN 61 HE21 GLN 61 -4.096 -16.454 -7.885 407 2HE2 GLN 61 HE22 GLN 61 -4.947 -17.958 -7.919 408 H LEU 62 HN LEU 62 -0.366 -13.348 -7.452 409 HA LEU 62 HA LEU 62 1.627 -13.619 -9.597 410 1HB LEU 62 HB2 LEU 62 1.818 -11.824 -7.188 411 2HB LEU 62 HB1 LEU 62 2.787 -11.767 -8.648 412 HG LEU 62 HG LEU 62 -0.134 -11.046 -8.411 413 1HD1 LEU 62 HD11 LEU 62 1.630 -9.461 -7.504 414 2HD1 LEU 62 HD12 LEU 62 0.525 -8.812 -8.715 415 3HD1 LEU 62 HD13 LEU 62 2.166 -9.271 -9.174 416 1HD2 LEU 62 HD21 LEU 62 1.542 -10.644 -10.857 417 2HD2 LEU 62 HD22 LEU 62 -0.214 -10.676 -10.697 418 3HD2 LEU 62 HD23 LEU 62 0.709 -12.173 -10.583 419 H TYR 63 HN TYR 63 0.704 -15.076 -6.763 420 HA TYR 63 HA TYR 63 3.311 -15.560 -5.645 421 1HB TYR 63 HB2 TYR 63 2.093 -17.123 -4.143 422 2HB TYR 63 HB1 TYR 63 1.395 -15.506 -4.162 423 HD1 TYR 63 HD1 TYR 63 0.996 -18.880 -5.691 424 HD2 TYR 63 HD2 TYR 63 -0.883 -15.232 -4.569 425 HE1 TYR 63 HE1 TYR 63 -1.194 -19.840 -6.263 426 HE2 TYR 63 HE2 TYR 63 -3.079 -16.181 -5.142 427 HH TYR 63 HH TYR 63 -4.075 -18.556 -5.291 428 H ASP 64 HN ASP 64 4.192 -17.747 -5.381 429 HA ASP 64 HA ASP 64 4.028 -19.204 -7.894 430 1HB ASP 64 HB2 ASP 64 6.246 -18.667 -7.033 431 2HB ASP 64 HB1 ASP 64 5.894 -19.513 -5.533 432 H GLU 65 HN GLU 65 3.489 -21.369 -8.086 433 HA GLU 65 HA GLU 65 1.460 -22.336 -6.414 434 1HB GLU 65 HB2 GLU 65 2.876 -23.232 -8.789 435 2HB GLU 65 HB1 GLU 65 2.482 -24.573 -7.723 436 1HG GLU 65 HG2 GLU 65 0.224 -22.826 -7.974 437 2HG GLU 65 HG1 GLU 65 0.813 -23.293 -9.568 438 H LYS 66 HN LYS 66 4.763 -23.649 -6.824 439 HA LYS 66 HA LYS 66 4.651 -25.513 -4.770 440 1HB LYS 66 HB2 LYS 66 7.079 -23.959 -5.674 441 2HB LYS 66 HB1 LYS 66 7.092 -25.486 -4.804 442 1HG LYS 66 HG2 LYS 66 7.278 -26.410 -6.824 443 2HG LYS 66 HG1 LYS 66 5.549 -26.095 -6.964 444 1HD LYS 66 HD2 LYS 66 6.626 -23.697 -7.711 445 2HD LYS 66 HD1 LYS 66 7.813 -24.842 -8.338 446 1HE LYS 66 HE2 LYS 66 6.335 -25.779 -9.811 447 2HE LYS 66 HE1 LYS 66 4.933 -25.410 -8.807 448 1HZ LYS 66 HZ1 LYS 66 5.187 -24.098 -10.934 449 2HZ LYS 66 HZ2 LYS 66 6.476 -23.296 -10.189 450 3HZ LYS 66 HZ3 LYS 66 4.923 -23.195 -9.528 451 H GLN 67 HN GLN 67 6.044 -22.227 -4.620 452 HA GLN 67 HA GLN 67 5.701 -22.333 -1.696 453 1HB GLN 67 HB2 GLN 67 7.370 -20.357 -1.784 454 2HB GLN 67 HB1 GLN 67 7.982 -21.985 -2.017 455 1HG GLN 67 HG2 GLN 67 7.238 -20.262 -4.347 456 2HG GLN 67 HG1 GLN 67 8.810 -20.122 -3.567 457 1HE2 GLN 67 HE21 GLN 67 9.492 -22.659 -3.016 458 2HE2 GLN 67 HE22 GLN 67 9.626 -23.587 -4.467 459 H GLN 68 HN GLN 68 4.167 -21.096 -0.857 460 HA GLN 68 HA GLN 68 2.785 -19.186 -2.530 461 1HB GLN 68 HB2 GLN 68 2.295 -20.422 0.144 462 2HB GLN 68 HB1 GLN 68 1.460 -18.929 -0.264 463 1HG GLN 68 HG2 GLN 68 -0.070 -20.450 -0.979 464 2HG GLN 68 HG1 GLN 68 0.865 -20.241 -2.459 465 1HE2 GLN 68 HE21 GLN 68 0.903 -22.143 -3.429 466 2HE2 GLN 68 HE22 GLN 68 1.319 -23.648 -2.690 467 H HIS 69 HN HIS 69 5.332 -19.077 -0.276 468 HA HIS 69 HA HIS 69 4.805 -16.334 0.523 469 1HB HIS 69 HB2 HIS 69 6.627 -16.555 2.030 470 2HB HIS 69 HB1 HIS 69 5.760 -18.084 2.086 471 HD1 HIS 69 HD1 HIS 69 6.885 -20.049 0.563 472 HD2 HIS 69 HD2 HIS 69 9.290 -16.804 1.541 473 HE1 HIS 69 HE1 HIS 69 9.247 -20.824 0.184 474 HE2 HIS 69 HE2 HIS 69 10.688 -18.870 0.857 475 H ILE 70 HN ILE 70 5.702 -17.439 -2.285 476 HA ILE 70 HA ILE 70 7.787 -15.398 -2.691 477 HB ILE 70 HB ILE 70 7.458 -18.001 -4.190 478 1HG1 ILE 70 HG12 ILE 70 8.454 -18.492 -2.090 479 2HG1 ILE 70 HG11 ILE 70 9.781 -18.413 -3.244 480 1HG2 ILE 70 HG21 ILE 70 8.906 -15.533 -4.805 481 2HG2 ILE 70 HG22 ILE 70 8.412 -16.857 -5.862 482 3HG2 ILE 70 HG23 ILE 70 9.889 -16.995 -4.906 483 1HD1 ILE 70 HD11 ILE 70 10.690 -17.192 -1.574 484 2HD1 ILE 70 HD12 ILE 70 9.127 -16.632 -0.980 485 3HD1 ILE 70 HD13 ILE 70 9.841 -15.895 -2.414 486 H VAL 71 HN VAL 71 7.393 -13.881 -4.180 487 HA VAL 71 HA VAL 71 5.129 -14.290 -6.021 488 HB VAL 71 HB VAL 71 5.818 -11.644 -4.749 489 1HG1 VAL 71 HG11 VAL 71 3.697 -10.917 -5.635 490 2HG1 VAL 71 HG12 VAL 71 3.353 -12.540 -6.234 491 3HG1 VAL 71 HG13 VAL 71 4.669 -11.601 -6.940 492 1HG2 VAL 71 HG21 VAL 71 3.410 -12.308 -3.689 493 2HG2 VAL 71 HG22 VAL 71 4.955 -12.543 -2.872 494 3HG2 VAL 71 HG23 VAL 71 4.202 -13.883 -3.738 495 H HIS 72 HN HIS 72 6.187 -14.604 -7.917 496 HA HIS 72 HA HIS 72 8.002 -12.452 -8.771 497 1HB HIS 72 HB2 HIS 72 9.144 -14.278 -10.175 498 2HB HIS 72 HB1 HIS 72 9.485 -14.239 -8.449 499 HD1 HIS 72 HD1 HIS 72 6.257 -15.708 -9.580 500 HD2 HIS 72 HD2 HIS 72 10.055 -16.998 -8.494 501 HE1 HIS 72 HE1 HIS 72 6.056 -18.192 -9.249 502 HE2 HIS 72 HE2 HIS 72 8.345 -18.938 -8.512 503 H CYS 73 HN CYS 73 6.637 -11.334 -10.037 504 HA CYS 73 HA CYS 73 5.570 -12.733 -12.391 505 1HB CYS 73 HB2 CYS 73 4.048 -11.480 -10.339 506 2HB CYS 73 HB1 CYS 73 3.914 -10.480 -11.783 507 HG CYS 73 HG CYS 73 2.990 -13.444 -11.630 508 H SER 74 HN SER 74 6.954 -12.022 -13.927 509 HA SER 74 HA SER 74 8.200 -9.506 -13.923 510 1HB SER 74 HB2 SER 74 9.127 -11.379 -15.186 511 2HB SER 74 HB1 SER 74 7.712 -11.393 -16.237 512 HG SER 74 HG SER 74 9.371 -9.119 -15.954 513 H ASN 75 HN ASN 75 5.337 -10.615 -15.747 514 HA ASN 75 HA ASN 75 4.940 -7.806 -16.493 515 1HB ASN 75 HB2 ASN 75 3.176 -8.686 -18.010 516 2HB ASN 75 HB1 ASN 75 4.763 -9.377 -18.340 517 1HD2 ASN 75 HD21 ASN 75 2.241 -10.469 -19.079 518 2HD2 ASN 75 HD22 ASN 75 2.090 -11.999 -18.292 519 H ASP 76 HN ASP 76 4.238 -6.958 -14.591 520 HA ASP 76 HA ASP 76 1.451 -7.353 -14.015 521 1HB ASP 76 HB2 ASP 76 2.780 -9.154 -12.705 522 2HB ASP 76 HB1 ASP 76 3.266 -7.815 -11.670 523 HA PRO 77 HA PRO 77 1.783 -2.957 -13.370 524 1HB PRO 77 HB2 PRO 77 -0.212 -3.147 -11.276 525 2HB PRO 77 HB1 PRO 77 -0.364 -2.432 -12.877 526 1HG PRO 77 HG2 PRO 77 -1.284 -5.013 -11.928 527 2HG PRO 77 HG1 PRO 77 -1.648 -4.194 -13.451 528 1HD PRO 77 HD2 PRO 77 -0.110 -6.464 -13.216 529 2HD PRO 77 HD1 PRO 77 -0.025 -5.327 -14.575 530 H LEU 78 HN LEU 78 1.740 -5.294 -10.744 531 HA LEU 78 HA LEU 78 2.703 -3.557 -8.719 532 1HB LEU 78 HB2 LEU 78 1.627 -5.998 -8.675 533 2HB LEU 78 HB1 LEU 78 3.316 -6.462 -8.616 534 HG LEU 78 HG LEU 78 3.559 -4.941 -6.617 535 1HD1 LEU 78 HD11 LEU 78 1.131 -4.800 -5.498 536 2HD1 LEU 78 HD12 LEU 78 0.684 -4.606 -7.193 537 3HD1 LEU 78 HD13 LEU 78 1.833 -3.493 -6.452 538 1HD2 LEU 78 HD21 LEU 78 1.538 -7.098 -6.117 539 2HD2 LEU 78 HD22 LEU 78 2.908 -6.607 -5.120 540 3HD2 LEU 78 HD23 LEU 78 3.183 -7.480 -6.628 541 H GLY 79 HN GLY 79 4.294 -5.924 -10.839 542 1HA GLY 79 HA2 GLY 79 6.896 -5.621 -9.842 543 2HA GLY 79 HA1 GLY 79 6.489 -6.167 -11.461 544 H GLU 80 HN GLU 80 5.284 -3.948 -12.534 545 HA GLU 80 HA GLU 80 7.491 -2.394 -13.301 546 1HB GLU 80 HB2 GLU 80 6.033 -1.245 -14.705 547 2HB GLU 80 HB1 GLU 80 5.233 -2.797 -14.510 548 1HG GLU 80 HG2 GLU 80 3.413 -1.644 -14.003 549 2HG GLU 80 HG1 GLU 80 4.186 -1.292 -12.460 550 H LEU 81 HN LEU 81 5.274 -2.098 -10.666 551 HA LEU 81 HA LEU 81 5.810 0.677 -10.138 552 1HB LEU 81 HB2 LEU 81 3.683 -0.315 -9.492 553 2HB LEU 81 HB1 LEU 81 4.506 -1.467 -8.462 554 HG LEU 81 HG LEU 81 5.165 0.258 -6.930 555 1HD1 LEU 81 HD11 LEU 81 3.847 2.569 -7.738 556 2HD1 LEU 81 HD12 LEU 81 4.664 1.987 -9.188 557 3HD1 LEU 81 HD13 LEU 81 5.588 2.291 -7.718 558 1HD2 LEU 81 HD21 LEU 81 2.637 -0.611 -7.232 559 2HD2 LEU 81 HD22 LEU 81 2.385 1.129 -7.375 560 3HD2 LEU 81 HD23 LEU 81 3.153 0.465 -5.933 561 H PHE 82 HN PHE 82 6.484 -2.293 -8.283 562 HA PHE 82 HA PHE 82 8.340 -1.059 -6.547 563 1HB PHE 82 HB2 PHE 82 7.982 -3.980 -7.251 564 2HB PHE 82 HB1 PHE 82 8.964 -3.382 -5.919 565 HD1 PHE 82 HD1 PHE 82 7.116 -1.183 -4.991 566 HD2 PHE 82 HD2 PHE 82 6.389 -5.233 -6.074 567 HE1 PHE 82 HE1 PHE 82 5.142 -1.216 -3.523 568 HE2 PHE 82 HE2 PHE 82 4.413 -5.274 -4.609 569 HZ PHE 82 HZ PHE 82 3.787 -3.264 -3.331 570 H GLY 83 HN GLY 83 8.641 -2.459 -9.713 571 1HA GLY 83 HA2 GLY 83 10.411 -2.190 -11.197 572 2HA GLY 83 HA1 GLY 83 11.361 -1.490 -9.895 573 H VAL 84 HN VAL 84 9.767 -4.572 -9.537 574 HA VAL 84 HA VAL 84 12.323 -5.961 -9.943 575 HB VAL 84 HB VAL 84 11.933 -7.323 -7.928 576 1HG1 VAL 84 HG11 VAL 84 13.280 -5.145 -7.979 577 2HG1 VAL 84 HG12 VAL 84 12.817 -5.788 -6.404 578 3HG1 VAL 84 HG13 VAL 84 11.922 -4.439 -7.104 579 1HG2 VAL 84 HG21 VAL 84 9.514 -5.593 -7.736 580 2HG2 VAL 84 HG22 VAL 84 10.286 -6.149 -6.251 581 3HG2 VAL 84 HG23 VAL 84 9.693 -7.321 -7.429 582 H GLN 85 HN GLN 85 12.067 -8.332 -10.114 583 HA GLN 85 HA GLN 85 9.550 -8.974 -11.479 584 1HB GLN 85 HB2 GLN 85 11.490 -9.193 -12.899 585 2HB GLN 85 HB1 GLN 85 12.306 -10.189 -11.702 586 1HG GLN 85 HG2 GLN 85 10.847 -12.003 -12.075 587 2HG GLN 85 HG1 GLN 85 9.732 -11.007 -13.010 588 1HE2 GLN 85 HE21 GLN 85 11.052 -9.813 -14.866 589 2HE2 GLN 85 HE22 GLN 85 11.970 -10.890 -15.857 590 H GLU 86 HN GLU 86 11.589 -9.845 -8.812 591 HA GLU 86 HA GLU 86 9.557 -11.719 -7.890 592 1HB GLU 86 HB2 GLU 86 11.212 -13.452 -7.357 593 2HB GLU 86 HB1 GLU 86 11.136 -13.145 -9.086 594 1HG GLU 86 HG2 GLU 86 13.188 -12.010 -9.086 595 2HG GLU 86 HG1 GLU 86 13.187 -11.840 -7.331 596 H PHE 87 HN PHE 87 9.418 -11.890 -5.673 597 HA PHE 87 HA PHE 87 11.449 -10.846 -3.940 598 1HB PHE 87 HB2 PHE 87 10.154 -9.007 -2.996 599 2HB PHE 87 HB1 PHE 87 10.415 -8.747 -4.717 600 HD1 PHE 87 HD1 PHE 87 7.970 -9.326 -2.103 601 HD2 PHE 87 HD2 PHE 87 8.563 -9.024 -6.306 602 HE1 PHE 87 HE1 PHE 87 5.546 -9.052 -2.421 603 HE2 PHE 87 HE2 PHE 87 6.140 -8.749 -6.633 604 HZ PHE 87 HZ PHE 87 4.627 -8.762 -4.688 605 H SER 88 HN SER 88 11.369 -11.938 -2.090 606 HA SER 88 HA SER 88 9.105 -13.658 -1.553 607 1HB SER 88 HB2 SER 88 11.316 -13.473 0.415 608 2HB SER 88 HB1 SER 88 10.531 -14.896 -0.272 609 HG SER 88 HG SER 88 11.687 -14.261 -2.276 610 H VAL 89 HN VAL 89 7.488 -13.211 -0.206 611 HA VAL 89 HA VAL 89 7.300 -10.712 1.108 612 HB VAL 89 HB VAL 89 5.267 -11.794 2.238 613 1HG1 VAL 89 HG11 VAL 89 4.855 -10.341 0.464 614 2HG1 VAL 89 HG12 VAL 89 4.031 -11.828 -0.005 615 3HG1 VAL 89 HG13 VAL 89 5.592 -11.423 -0.718 616 1HG2 VAL 89 HG21 VAL 89 4.466 -13.857 1.432 617 2HG2 VAL 89 HG22 VAL 89 6.161 -14.134 1.837 618 3HG2 VAL 89 HG23 VAL 89 5.679 -13.920 0.154 619 H LYS 90 HN LYS 90 8.845 -13.584 2.027 620 HA LYS 90 HA LYS 90 8.425 -13.791 4.746 621 1HB LYS 90 HB2 LYS 90 10.067 -15.022 2.972 622 2HB LYS 90 HB1 LYS 90 11.236 -14.079 3.885 623 1HG LYS 90 HG2 LYS 90 9.892 -15.118 5.929 624 2HG LYS 90 HG1 LYS 90 9.567 -16.371 4.730 625 1HD LYS 90 HD2 LYS 90 11.727 -17.061 4.669 626 2HD LYS 90 HD1 LYS 90 12.364 -15.437 4.931 627 1HE LYS 90 HE2 LYS 90 10.895 -16.512 7.219 628 2HE LYS 90 HE1 LYS 90 12.321 -17.454 6.786 629 1HZ LYS 90 HZ1 LYS 90 12.690 -14.577 6.861 630 2HZ LYS 90 HZ2 LYS 90 13.702 -15.814 7.415 631 3HZ LYS 90 HZ3 LYS 90 12.391 -15.310 8.357 632 H GLU 91 HN GLU 91 10.409 -11.488 2.986 633 HA GLU 91 HA GLU 91 11.462 -10.344 5.443 634 1HB GLU 91 HB2 GLU 91 11.872 -9.673 2.529 635 2HB GLU 91 HB1 GLU 91 12.572 -8.731 3.839 636 1HG GLU 91 HG2 GLU 91 13.282 -11.335 4.438 637 2HG GLU 91 HG1 GLU 91 13.439 -11.238 2.684 638 H HIS 92 HN HIS 92 9.378 -9.726 6.295 639 HA HIS 92 HA HIS 92 7.589 -7.983 5.046 640 1HB HIS 92 HB2 HIS 92 8.206 -8.512 7.949 641 2HB HIS 92 HB1 HIS 92 6.942 -7.392 7.452 642 HD1 HIS 92 HD1 HIS 92 6.086 -9.778 9.059 643 HD2 HIS 92 HD2 HIS 92 6.334 -9.842 4.911 644 HE1 HIS 92 HE1 HIS 92 4.565 -11.640 8.324 645 HE2 HIS 92 HE2 HIS 92 4.666 -11.604 5.806 646 H ARG 93 HN ARG 93 10.606 -7.371 6.686 647 HA ARG 93 HA ARG 93 10.299 -4.635 7.215 648 1HB ARG 93 HB2 ARG 93 12.727 -6.342 6.698 649 2HB ARG 93 HB1 ARG 93 12.854 -4.628 7.068 650 1HG ARG 93 HG2 ARG 93 11.395 -5.245 9.134 651 2HG ARG 93 HG1 ARG 93 11.974 -6.881 8.811 652 1HD ARG 93 HD2 ARG 93 14.286 -5.485 8.648 653 2HD ARG 93 HD1 ARG 93 13.411 -4.527 9.842 654 HE ARG 93 HE ARG 93 13.643 -6.241 11.345 655 1HH1 ARG 93 HH11 ARG 93 14.426 -7.413 8.153 656 2HH1 ARG 93 HH12 ARG 93 15.028 -8.934 8.722 657 1HH2 ARG 93 HH21 ARG 93 14.434 -8.241 12.096 658 2HH2 ARG 93 HH22 ARG 93 15.032 -9.404 10.961 659 H ARG 94 HN ARG 94 11.102 -6.348 4.278 660 HA ARG 94 HA ARG 94 11.998 -4.010 2.869 661 1HB ARG 94 HB2 ARG 94 11.622 -6.878 2.258 662 2HB ARG 94 HB1 ARG 94 11.453 -5.780 0.895 663 1HG ARG 94 HG2 ARG 94 13.646 -5.262 0.862 664 2HG ARG 94 HG1 ARG 94 13.804 -5.347 2.618 665 1HD ARG 94 HD2 ARG 94 15.045 -7.171 1.921 666 2HD ARG 94 HD1 ARG 94 13.477 -7.894 2.276 667 HE ARG 94 HE ARG 94 13.224 -8.372 0.047 668 1HH1 ARG 94 HH11 ARG 94 15.861 -6.120 0.438 669 2HH1 ARG 94 HH12 ARG 94 16.382 -6.251 -1.208 670 1HH2 ARG 94 HH21 ARG 94 13.907 -8.545 -2.118 671 2HH2 ARG 94 HH22 ARG 94 15.272 -7.627 -2.659 672 H ILE 95 HN ILE 95 9.064 -6.020 2.789 673 HA ILE 95 HA ILE 95 7.696 -4.596 0.812 674 HB ILE 95 HB ILE 95 6.446 -6.024 3.158 675 1HG1 ILE 95 HG12 ILE 95 7.439 -7.055 0.494 676 2HG1 ILE 95 HG11 ILE 95 7.999 -7.528 2.094 677 1HG2 ILE 95 HG21 ILE 95 5.414 -5.286 0.424 678 2HG2 ILE 95 HG22 ILE 95 4.829 -4.706 1.984 679 3HG2 ILE 95 HG23 ILE 95 4.593 -6.393 1.525 680 1HD1 ILE 95 HD11 ILE 95 5.999 -8.720 0.527 681 2HD1 ILE 95 HD12 ILE 95 5.194 -7.990 1.916 682 3HD1 ILE 95 HD13 ILE 95 6.502 -9.147 2.162 683 H TYR 96 HN TYR 96 7.579 -4.244 4.350 684 HA TYR 96 HA TYR 96 5.688 -2.214 4.514 685 1HB TYR 96 HB2 TYR 96 7.219 -3.590 6.311 686 2HB TYR 96 HB1 TYR 96 7.928 -1.982 6.413 687 HD1 TYR 96 HD1 TYR 96 6.303 -0.017 6.820 688 HD2 TYR 96 HD2 TYR 96 5.278 -4.091 7.496 689 HE1 TYR 96 HE1 TYR 96 4.483 0.694 8.313 690 HE2 TYR 96 HE2 TYR 96 3.456 -3.390 8.992 691 HH TYR 96 HH TYR 96 2.079 -1.481 9.449 692 H ALA 97 HN ALA 97 9.228 -1.924 4.282 693 HA ALA 97 HA ALA 97 9.176 0.930 4.147 694 1HB ALA 97 HB1 ALA 97 11.166 0.124 5.000 695 2HB ALA 97 HB2 ALA 97 11.609 0.515 3.339 696 3HB ALA 97 HB3 ALA 97 11.285 -1.158 3.795 697 H MET 98 HN MET 98 8.872 -1.617 1.821 698 HA MET 98 HA MET 98 9.664 -0.131 -0.460 699 1HB MET 98 HB2 MET 98 9.805 -2.413 -0.791 700 2HB MET 98 HB1 MET 98 8.310 -2.736 0.074 701 1HG MET 98 HG2 MET 98 7.043 -2.490 -1.747 702 2HG MET 98 HG1 MET 98 8.034 -1.189 -2.389 703 1HE MET 98 HE1 MET 98 9.125 -5.204 -1.679 704 2HE MET 98 HE2 MET 98 8.248 -5.633 -3.148 705 3HE MET 98 HE3 MET 98 7.421 -4.782 -1.843 706 H ILE 99 HN ILE 99 6.435 -1.312 0.516 707 HA ILE 99 HA ILE 99 4.957 0.227 -1.269 708 HB ILE 99 HB ILE 99 3.066 -0.029 0.379 709 1HG1 ILE 99 HG12 ILE 99 4.059 -2.001 2.069 710 2HG1 ILE 99 HG11 ILE 99 5.317 -0.768 2.081 711 1HG2 ILE 99 HG21 ILE 99 4.659 -2.292 -0.728 712 2HG2 ILE 99 HG22 ILE 99 3.077 -1.683 -1.214 713 3HG2 ILE 99 HG23 ILE 99 3.240 -2.636 0.260 714 1HD1 ILE 99 HD11 ILE 99 3.437 0.889 2.550 715 2HD1 ILE 99 HD12 ILE 99 3.914 -0.205 3.849 716 3HD1 ILE 99 HD13 ILE 99 2.453 -0.528 2.915 717 H SER 100 HN SER 100 6.491 1.119 1.712 718 HA SER 100 HA SER 100 4.992 3.464 2.251 719 1HB SER 100 HB2 SER 100 7.669 2.427 3.133 720 2HB SER 100 HB1 SER 100 7.183 4.074 3.536 721 HG SER 100 HG SER 100 6.637 2.213 5.031 722 H ARG 101 HN ARG 101 7.907 2.811 0.379 723 HA ARG 101 HA ARG 101 8.506 5.541 -0.169 724 1HB ARG 101 HB2 ARG 101 9.333 3.056 -1.681 725 2HB ARG 101 HB1 ARG 101 10.059 4.649 -1.845 726 1HG ARG 101 HG2 ARG 101 11.210 4.481 0.104 727 2HG ARG 101 HG1 ARG 101 9.989 3.458 0.866 728 1HD ARG 101 HD2 ARG 101 11.779 2.008 0.546 729 2HD ARG 101 HD1 ARG 101 10.733 1.675 -0.833 730 HE ARG 101 HE ARG 101 12.357 2.496 -2.227 731 1HH1 ARG 101 HH11 ARG 101 13.105 3.412 1.057 732 2HH1 ARG 101 HH12 ARG 101 14.680 4.014 0.662 733 1HH2 ARG 101 HH21 ARG 101 14.428 3.287 -2.747 734 2HH2 ARG 101 HH22 ARG 101 15.431 3.944 -1.497 735 H ASN 102 HN ASN 102 6.130 3.421 -1.349 736 HA ASN 102 HA ASN 102 5.862 4.844 -3.889 737 1HB ASN 102 HB2 ASN 102 4.717 2.298 -2.786 738 2HB ASN 102 HB1 ASN 102 3.960 3.088 -4.166 739 1HD2 ASN 102 HD21 ASN 102 4.976 0.567 -4.400 740 2HD2 ASN 102 HD22 ASN 102 6.381 0.593 -5.404 741 H LEU 103 HN LEU 103 5.285 6.210 -1.406 742 HA LEU 103 HA LEU 103 2.376 6.603 -1.677 743 1HB LEU 103 HB2 LEU 103 4.035 7.429 0.693 744 2HB LEU 103 HB1 LEU 103 2.289 7.311 0.586 745 HG LEU 103 HG LEU 103 4.080 4.902 0.366 746 1HD1 LEU 103 HD11 LEU 103 3.372 4.512 2.766 747 2HD1 LEU 103 HD12 LEU 103 2.917 6.215 2.805 748 3HD1 LEU 103 HD13 LEU 103 4.592 5.757 2.500 749 1HD2 LEU 103 HD21 LEU 103 1.374 4.682 1.460 750 2HD2 LEU 103 HD22 LEU 103 2.199 3.690 0.258 751 3HD2 LEU 103 HD23 LEU 103 1.436 5.206 -0.223 752 H VAL 104 HN VAL 104 1.702 8.482 -2.475 753 HA VAL 104 HA VAL 104 3.646 10.565 -3.017 754 HB VAL 104 HB VAL 104 1.868 11.652 -4.306 755 1HG1 VAL 104 HG11 VAL 104 1.773 8.767 -5.085 756 2HG1 VAL 104 HG12 VAL 104 3.300 9.650 -5.126 757 3HG1 VAL 104 HG13 VAL 104 1.938 10.199 -6.102 758 1HG2 VAL 104 HG21 VAL 104 -0.276 10.350 -4.649 759 2HG2 VAL 104 HG22 VAL 104 -0.104 11.162 -3.093 760 3HG2 VAL 104 HG23 VAL 104 0.161 9.423 -3.214 761 H SER 105 HN SER 105 0.521 10.308 -1.326 762 HA SER 105 HA SER 105 1.137 12.836 0.041 763 1HB SER 105 HB2 SER 105 -1.142 12.164 -1.304 764 2HB SER 105 HB1 SER 105 -1.577 11.729 0.349 765 HG SER 105 HG SER 105 -0.431 14.229 -0.318 766 H ALA 106 HN ALA 106 1.753 12.740 2.091 767 HA ALA 106 HA ALA 106 1.075 10.332 3.653 768 1HB ALA 106 HB1 ALA 106 3.125 11.343 5.044 769 2HB ALA 106 HB2 ALA 106 3.543 11.950 3.442 770 3HB ALA 106 HB3 ALA 106 3.338 10.218 3.703 771 H ASN 107 HN ASN 107 0.162 10.556 5.658 772 HA ASN 107 HA ASN 107 -1.348 12.830 6.227 773 1HB ASN 107 HB2 ASN 107 -1.258 10.290 7.210 774 2HB ASN 107 HB1 ASN 107 -0.589 11.197 8.563 775 1HD2 ASN 107 HD21 ASN 107 -3.364 10.797 6.477 776 2HD2 ASN 107 HD22 ASN 107 -4.505 11.561 7.526 777 H VAL 108 HN VAL 108 -0.325 14.754 6.399 778 HA VAL 108 HA VAL 108 2.152 15.160 7.661 779 HB VAL 108 HB VAL 108 1.166 17.641 7.762 780 1HG1 VAL 108 HG11 VAL 108 3.065 16.870 6.470 781 2HG1 VAL 108 HG12 VAL 108 2.043 17.942 5.507 782 3HG1 VAL 108 HG13 VAL 108 1.977 16.195 5.255 783 1HG2 VAL 108 HG21 VAL 108 -0.374 16.614 5.419 784 2HG2 VAL 108 HG22 VAL 108 -0.574 18.112 6.328 785 3HG2 VAL 108 HG23 VAL 108 -1.108 16.581 7.023 786 H LYS 109 HN LYS 109 2.653 16.248 9.596 787 HA LYS 109 HA LYS 109 0.546 16.068 11.654 788 1HB LYS 109 HB2 LYS 109 3.179 14.887 11.551 789 2HB LYS 109 HB1 LYS 109 3.045 15.955 12.942 790 1HG LYS 109 HG2 LYS 109 0.799 14.091 12.481 791 2HG LYS 109 HG1 LYS 109 2.332 13.387 12.999 792 1HD LYS 109 HD2 LYS 109 1.537 15.781 14.492 793 2HD LYS 109 HD1 LYS 109 0.434 14.415 14.670 794 1HE LYS 109 HE2 LYS 109 1.973 13.137 15.752 795 2HE LYS 109 HE1 LYS 109 3.333 13.846 14.883 796 1HZ LYS 109 HZ1 LYS 109 2.776 14.372 17.429 797 2HZ LYS 109 HZ2 LYS 109 1.922 15.629 16.687 798 3HZ LYS 109 HZ3 LYS 109 3.582 15.457 16.411 799 H GLU 110 HN GLU 110 -0.078 18.212 11.532 800 HA GLU 110 HA GLU 110 1.166 20.060 13.157 801 1HB GLU 110 HB2 GLU 110 1.942 21.707 11.345 802 2HB GLU 110 HB1 GLU 110 2.997 20.352 11.720 803 1HG GLU 110 HG2 GLU 110 2.467 19.237 9.740 804 2HG GLU 110 HG1 GLU 110 1.027 20.219 9.468 805 H SER 111 HN SER 111 0.201 22.245 13.000 806 HA SER 111 HA SER 111 -2.563 22.026 12.126 807 1HB SER 111 HB2 SER 111 -1.322 24.384 13.542 808 2HB SER 111 HB1 SER 111 -3.016 23.891 13.519 809 HG SER 111 HG SER 111 -0.892 22.430 14.709 810 H SER 112 HN SER 112 -2.959 22.509 10.065 811 HA SER 112 HA SER 112 -1.372 24.515 8.684 812 1HB SER 112 HB2 SER 112 -2.772 23.807 6.699 813 2HB SER 112 HB1 SER 112 -1.796 22.527 7.420 814 HG SER 112 HG SER 112 -3.782 21.651 7.189 815 H GLU 113 HN GLU 113 -2.125 26.447 7.905 816 HA GLU 113 HA GLU 113 -4.710 27.327 8.989 817 1HB GLU 113 HB2 GLU 113 -3.779 29.639 8.600 818 2HB GLU 113 HB1 GLU 113 -2.940 28.686 9.817 819 1HG GLU 113 HG2 GLU 113 -1.895 28.529 7.060 820 2HG GLU 113 HG1 GLU 113 -1.685 30.061 7.907 821 H ASP 114 HN ASP 114 -5.994 28.816 7.683 822 HA ASP 114 HA ASP 114 -6.046 27.949 4.906 823 1HB ASP 114 HB2 ASP 114 -8.094 28.079 6.462 824 2HB ASP 114 HB1 ASP 114 -8.019 29.819 6.203 825 H ILE 115 HN ILE 115 -6.532 29.606 3.212 826 HA ILE 115 HA ILE 115 -4.919 32.008 3.659 827 HB ILE 115 HB ILE 115 -5.533 30.730 0.995 828 1HG1 ILE 115 HG12 ILE 115 -3.015 30.483 2.657 829 2HG1 ILE 115 HG11 ILE 115 -4.206 29.206 2.430 830 1HG2 ILE 115 HG21 ILE 115 -3.201 32.499 1.483 831 2HG2 ILE 115 HG22 ILE 115 -4.798 33.241 1.397 832 3HG2 ILE 115 HG23 ILE 115 -4.189 32.299 0.036 833 1HD1 ILE 115 HD11 ILE 115 -3.288 30.261 -0.096 834 2HD1 ILE 115 HD12 ILE 115 -3.299 28.601 0.502 835 3HD1 ILE 115 HD13 ILE 115 -1.954 29.672 0.896 836 H PHE 116 HN PHE 116 -6.327 33.508 4.193 837 HA PHE 116 HA PHE 116 -8.966 33.732 3.164 838 1HB PHE 116 HB2 PHE 116 -7.321 35.854 4.558 839 2HB PHE 116 HB1 PHE 116 -9.072 35.837 4.378 840 HD1 PHE 116 HD1 PHE 116 -6.477 35.209 6.583 841 HD2 PHE 116 HD2 PHE 116 -10.185 33.573 5.286 842 HE1 PHE 116 HE1 PHE 116 -6.677 33.988 8.709 843 HE2 PHE 116 HE2 PHE 116 -10.393 32.349 7.410 844 HZ PHE 116 HZ PHE 116 -8.637 32.556 9.125 845 H GLY 117 HN GLY 117 -5.866 35.004 2.201 846 1HA GLY 117 HA2 GLY 117 -5.313 35.875 0.112 847 2HA GLY 117 HA1 GLY 117 -7.024 35.950 -0.282 848 H ASN 118 HN ASN 118 -5.467 37.348 2.558 849 HA ASN 118 HA ASN 118 -6.668 39.899 2.017 850 1HB ASN 118 HB2 ASN 118 -5.428 40.595 4.097 851 2HB ASN 118 HB1 ASN 118 -6.520 39.229 4.311 852 1HD2 ASN 118 HD21 ASN 118 -5.704 37.759 5.596 853 2HD2 ASN 118 HD22 ASN 118 -4.046 37.285 5.689 854 H VAL 119 HN VAL 119 -5.691 41.792 1.401 855 HA VAL 119 HA VAL 119 -2.974 41.516 0.302 856 HB VAL 119 HB VAL 119 -5.030 43.595 -0.449 857 1HG1 VAL 119 HG11 VAL 119 -2.876 42.806 -2.297 858 2HG1 VAL 119 HG12 VAL 119 -2.366 43.674 -0.849 859 3HG1 VAL 119 HG13 VAL 119 -3.545 44.399 -1.942 860 1HG2 VAL 119 HG21 VAL 119 -6.108 41.824 -1.350 861 2HG2 VAL 119 HG22 VAL 119 -4.666 40.808 -1.349 862 3HG2 VAL 119 HG23 VAL 119 -4.896 42.011 -2.617 863 H30 IMY 120 1H30 IMY 120 3.304 -18.509 3.863 864 1H30 IMY 120 2H30 IMY 120 4.724 -17.633 3.168 865 2H30 IMY 120 3H30 IMY 120 4.208 -19.187 2.501 866 H26 IMY 120 H26 IMY 120 3.782 -15.893 4.019 867 H25 IMY 120 H25 IMY 120 2.746 -13.747 4.458 868 H31 IMY 120 H31 IMY 120 -0.844 -15.834 -0.167 869 1H32 IMY 120 1H32 IMY 120 -1.198 -12.930 -1.157 870 2H32 IMY 120 2H32 IMY 120 -1.774 -14.390 -1.980 871 3H32 IMY 120 3H32 IMY 120 -2.509 -13.861 -0.455 872 1H33 IMY 120 1H33 IMY 120 1.532 -15.373 -0.467 873 2H33 IMY 120 2H33 IMY 120 0.675 -15.145 -2.000 874 3H33 IMY 120 3H33 IMY 120 1.201 -13.744 -1.033 875 H28 IMY 120 H28 IMY 120 1.047 -16.633 0.818 876 H4 IMY 120 H4 IMY 120 0.013 -10.743 5.047 877 H3 IMY 120 H3 IMY 120 -1.066 -9.981 3.114 878 H18 IMY 120 H18 IMY 120 1.615 -11.266 0.814 879 H17 IMY 120 H17 IMY 120 2.825 -9.868 -0.772 880 H15 IMY 120 H15 IMY 120 1.046 -6.352 0.835 881 H14 IMY 120 H14 IMY 120 -0.191 -7.700 2.488 882 H20 IMY 120 H20 IMY 120 0.124 -8.449 5.919 883 H21 IMY 120 H21 IMY 120 1.573 -6.654 6.722 884 H23 IMY 120 H23 IMY 120 4.851 -8.241 4.439 885 H24 IMY 120 H24 IMY 120 3.473 -10.126 3.740 Start of MODEL 7 1 1H ASN 13 HT1 ASN 13 -18.128 13.310 -4.066 2 2H ASN 13 HT2 ASN 13 -17.852 14.852 -4.767 3 3H ASN 13 HT3 ASN 13 -19.413 14.438 -4.184 4 HA ASN 13 HA ASN 13 -16.983 14.679 -2.541 5 1HB ASN 13 HB2 ASN 13 -18.690 16.657 -3.685 6 2HB ASN 13 HB1 ASN 13 -19.003 16.614 -1.952 7 1HD2 ASN 13 HD21 ASN 13 -18.085 18.640 -1.659 8 2HD2 ASN 13 HD22 ASN 13 -16.377 18.893 -1.723 9 H HIS 14 HN HIS 14 -17.517 12.702 -1.498 10 HA HIS 14 HA HIS 14 -20.079 12.599 -0.096 11 1HB HIS 14 HB2 HIS 14 -18.137 10.626 -1.043 12 2HB HIS 14 HB1 HIS 14 -18.701 10.306 0.594 13 HD1 HIS 14 HD1 HIS 14 -20.025 8.229 -0.173 14 HD2 HIS 14 HD2 HIS 14 -21.225 11.769 -1.988 15 HE1 HIS 14 HE1 HIS 14 -22.212 7.700 -1.297 16 HE2 HIS 14 HE2 HIS 14 -22.962 9.880 -2.313 17 H ILE 15 HN ILE 15 -20.208 13.337 1.957 18 HA ILE 15 HA ILE 15 -19.641 13.981 4.060 19 HB ILE 15 HB ILE 15 -17.342 12.042 3.947 20 1HG1 ILE 15 HG12 ILE 15 -19.444 10.629 5.034 21 2HG1 ILE 15 HG11 ILE 15 -20.214 11.497 3.710 22 1HG2 ILE 15 HG21 ILE 15 -17.306 13.202 5.966 23 2HG2 ILE 15 HG22 ILE 15 -18.160 11.710 6.359 24 3HG2 ILE 15 HG23 ILE 15 -19.064 13.204 6.106 25 1HD1 ILE 15 HD11 ILE 15 -19.549 9.765 2.474 26 2HD1 ILE 15 HD12 ILE 15 -18.346 9.256 3.659 27 3HD1 ILE 15 HD13 ILE 15 -17.966 10.541 2.513 28 H SER 16 HN SER 16 -17.893 15.027 5.391 29 HA SER 16 HA SER 16 -15.499 15.852 4.024 30 1HB SER 16 HB2 SER 16 -17.620 17.355 3.355 31 2HB SER 16 HB1 SER 16 -17.161 18.175 4.847 32 HG SER 16 HG SER 16 -16.042 18.378 2.449 33 H THR 17 HN THR 17 -14.382 17.639 5.406 34 HA THR 17 HA THR 17 -13.408 18.225 7.371 35 HB THR 17 HB THR 17 -16.089 17.445 8.535 36 HG1 THR 17 HG1 THR 17 -16.565 19.161 7.388 37 1HG2 THR 17 HG21 THR 17 -14.173 17.606 10.186 38 2HG2 THR 17 HG22 THR 17 -15.576 18.634 10.481 39 3HG2 THR 17 HG23 THR 17 -14.112 19.321 9.778 40 H SER 18 HN SER 18 -15.457 15.628 8.673 41 HA SER 18 HA SER 18 -12.992 14.177 9.372 42 1HB SER 18 HB2 SER 18 -14.538 13.083 11.125 43 2HB SER 18 HB1 SER 18 -14.031 14.749 11.403 44 HG SER 18 HG SER 18 -16.344 14.257 11.668 45 H ASP 19 HN ASP 19 -13.044 11.861 9.313 46 HA ASP 19 HA ASP 19 -15.143 10.319 8.306 47 1HB ASP 19 HB2 ASP 19 -14.857 11.560 6.230 48 2HB ASP 19 HB1 ASP 19 -13.139 11.180 6.206 49 H GLN 20 HN GLN 20 -11.789 10.197 7.155 50 HA GLN 20 HA GLN 20 -11.413 7.769 8.782 51 1HB GLN 20 HB2 GLN 20 -10.590 8.478 6.005 52 2HB GLN 20 HB1 GLN 20 -9.522 7.443 6.943 53 1HG GLN 20 HG2 GLN 20 -11.860 6.202 7.382 54 2HG GLN 20 HG1 GLN 20 -12.172 6.886 5.788 55 1HE2 GLN 20 HE21 GLN 20 -11.257 5.978 4.039 56 2HE2 GLN 20 HE22 GLN 20 -10.186 4.623 4.085 57 H GLU 21 HN GLU 21 -8.934 7.340 9.095 58 HA GLU 21 HA GLU 21 -7.369 9.746 9.413 59 1HB GLU 21 HB2 GLU 21 -8.478 8.232 11.755 60 2HB GLU 21 HB1 GLU 21 -6.958 9.106 11.891 61 1HG GLU 21 HG2 GLU 21 -8.569 10.992 10.781 62 2HG GLU 21 HG1 GLU 21 -9.707 10.102 11.791 63 H LYS 22 HN LYS 22 -5.178 9.394 9.658 64 HA LYS 22 HA LYS 22 -3.190 8.276 9.555 65 1HB LYS 22 HB2 LYS 22 -4.666 5.756 10.268 66 2HB LYS 22 HB1 LYS 22 -2.970 6.128 10.547 67 1HG LYS 22 HG2 LYS 22 -4.593 8.080 11.861 68 2HG LYS 22 HG1 LYS 22 -5.138 6.463 12.309 69 1HD LYS 22 HD2 LYS 22 -2.441 6.177 12.474 70 2HD LYS 22 HD1 LYS 22 -2.635 7.865 12.951 71 1HE LYS 22 HE2 LYS 22 -3.813 5.411 14.223 72 2HE LYS 22 HE1 LYS 22 -2.761 6.625 14.949 73 1HZ LYS 22 HZ1 LYS 22 -4.829 8.132 14.235 74 2HZ LYS 22 HZ2 LYS 22 -4.705 7.388 15.749 75 3HZ LYS 22 HZ3 LYS 22 -5.634 6.673 14.529 76 H LEU 23 HN LEU 23 -5.612 7.991 7.498 77 HA LEU 23 HA LEU 23 -4.946 5.706 5.975 78 1HB LEU 23 HB2 LEU 23 -6.298 6.906 4.170 79 2HB LEU 23 HB1 LEU 23 -7.120 6.446 5.646 80 HG LEU 23 HG LEU 23 -7.070 8.722 6.453 81 1HD1 LEU 23 HD11 LEU 23 -6.231 10.512 4.855 82 2HD1 LEU 23 HD12 LEU 23 -5.372 9.213 4.027 83 3HD1 LEU 23 HD13 LEU 23 -5.012 9.573 5.715 84 1HD2 LEU 23 HD21 LEU 23 -8.625 7.818 4.446 85 2HD2 LEU 23 HD22 LEU 23 -7.910 9.237 3.681 86 3HD2 LEU 23 HD23 LEU 23 -8.805 9.407 5.191 87 H VAL 24 HN VAL 24 -4.195 5.721 3.753 88 HA VAL 24 HA VAL 24 -2.138 7.775 3.287 89 HB VAL 24 HB VAL 24 -1.076 5.769 1.904 90 1HG1 VAL 24 HG11 VAL 24 0.186 5.169 4.069 91 2HG1 VAL 24 HG12 VAL 24 -0.821 6.409 4.818 92 3HG1 VAL 24 HG13 VAL 24 0.253 6.832 3.484 93 1HG2 VAL 24 HG21 VAL 24 -2.731 4.408 4.018 94 2HG2 VAL 24 HG22 VAL 24 -1.285 3.671 3.331 95 3HG2 VAL 24 HG23 VAL 24 -2.657 4.060 2.291 96 H GLN 25 HN GLN 25 -1.537 7.987 0.932 97 HA GLN 25 HA GLN 25 -3.932 7.577 -0.737 98 1HB GLN 25 HB2 GLN 25 -3.009 9.973 -0.027 99 2HB GLN 25 HB1 GLN 25 -1.971 9.703 -1.418 100 1HG GLN 25 HG2 GLN 25 -4.968 9.835 -1.353 101 2HG GLN 25 HG1 GLN 25 -3.845 10.917 -2.175 102 1HE2 GLN 25 HE21 GLN 25 -3.775 10.640 -4.274 103 2HE2 GLN 25 HE22 GLN 25 -4.021 9.155 -5.122 104 HA PRO 26 HA PRO 26 -0.784 4.976 -2.822 105 1HB PRO 26 HB2 PRO 26 -3.236 3.981 -4.146 106 2HB PRO 26 HB1 PRO 26 -1.962 3.079 -3.322 107 1HG PRO 26 HG2 PRO 26 -4.372 3.374 -2.214 108 2HG PRO 26 HG1 PRO 26 -2.900 3.416 -1.226 109 1HD PRO 26 HD2 PRO 26 -4.592 5.689 -2.205 110 2HD PRO 26 HD1 PRO 26 -3.846 5.447 -0.610 111 H THR 27 HN THR 27 0.187 5.395 -4.736 112 HA THR 27 HA THR 27 -0.572 7.555 -6.335 113 HB THR 27 HB THR 27 1.013 6.308 -8.045 114 HG1 THR 27 HG1 THR 27 2.279 4.774 -7.092 115 1HG2 THR 27 HG21 THR 27 1.469 8.157 -6.075 116 2HG2 THR 27 HG22 THR 27 2.626 7.638 -7.300 117 3HG2 THR 27 HG23 THR 27 2.631 6.883 -5.706 118 HA PRO 28 HA PRO 28 -3.614 6.345 -9.264 119 1HB PRO 28 HB2 PRO 28 -2.114 6.484 -11.664 120 2HB PRO 28 HB1 PRO 28 -3.137 7.744 -10.974 121 1HG PRO 28 HG2 PRO 28 -0.194 7.405 -10.827 122 2HG PRO 28 HG1 PRO 28 -1.163 8.888 -10.810 123 1HD PRO 28 HD2 PRO 28 0.011 7.941 -8.587 124 2HD PRO 28 HD1 PRO 28 -1.575 8.741 -8.535 125 H LEU 29 HN LEU 29 -0.439 4.857 -9.571 126 HA LEU 29 HA LEU 29 -1.323 2.615 -11.101 127 1HB LEU 29 HB2 LEU 29 1.023 3.387 -11.068 128 2HB LEU 29 HB1 LEU 29 1.141 2.926 -9.381 129 HG LEU 29 HG LEU 29 0.958 0.602 -9.915 130 1HD1 LEU 29 HD11 LEU 29 -0.105 1.629 -12.455 131 2HD1 LEU 29 HD12 LEU 29 -0.482 0.145 -11.579 132 3HD1 LEU 29 HD13 LEU 29 0.958 0.229 -12.593 133 1HD2 LEU 29 HD21 LEU 29 3.134 1.908 -10.359 134 2HD2 LEU 29 HD22 LEU 29 2.761 1.654 -12.064 135 3HD2 LEU 29 HD23 LEU 29 2.990 0.270 -10.995 136 H LEU 30 HN LEU 30 -0.270 2.905 -7.702 137 HA LEU 30 HA LEU 30 -1.061 0.356 -6.886 138 1HB LEU 30 HB2 LEU 30 0.359 2.078 -5.638 139 2HB LEU 30 HB1 LEU 30 -1.154 2.800 -5.128 140 HG LEU 30 HG LEU 30 -1.749 0.898 -3.840 141 1HD1 LEU 30 HD11 LEU 30 0.121 -1.012 -3.862 142 2HD1 LEU 30 HD12 LEU 30 0.248 -0.469 -5.535 143 3HD1 LEU 30 HD13 LEU 30 -1.298 -1.042 -4.909 144 1HD2 LEU 30 HD21 LEU 30 0.308 2.446 -3.177 145 2HD2 LEU 30 HD22 LEU 30 1.155 0.899 -3.241 146 3HD2 LEU 30 HD23 LEU 30 -0.228 1.105 -2.165 147 H LEU 31 HN LEU 31 -2.836 3.350 -7.197 148 HA LEU 31 HA LEU 31 -5.156 2.809 -5.799 149 1HB LEU 31 HB2 LEU 31 -4.288 4.660 -7.805 150 2HB LEU 31 HB1 LEU 31 -5.903 4.111 -8.206 151 HG LEU 31 HG LEU 31 -5.029 5.475 -5.663 152 1HD1 LEU 31 HD11 LEU 31 -5.376 7.202 -7.098 153 2HD1 LEU 31 HD12 LEU 31 -7.040 6.945 -6.571 154 3HD1 LEU 31 HD13 LEU 31 -6.490 6.285 -8.111 155 1HD2 LEU 31 HD21 LEU 31 -7.513 5.376 -5.149 156 2HD2 LEU 31 HD22 LEU 31 -6.603 3.879 -4.949 157 3HD2 LEU 31 HD23 LEU 31 -7.610 4.115 -6.378 158 H SER 32 HN SER 32 -4.711 2.313 -9.309 159 HA SER 32 HA SER 32 -7.060 1.023 -9.888 160 1HB SER 32 HB2 SER 32 -5.082 1.701 -11.435 161 2HB SER 32 HB1 SER 32 -4.488 0.070 -11.125 162 HG SER 32 HG SER 32 -6.628 -0.641 -11.835 163 H LEU 33 HN LEU 33 -4.079 -0.447 -8.621 164 HA LEU 33 HA LEU 33 -4.858 -3.121 -8.760 165 1HB LEU 33 HB2 LEU 33 -3.388 -2.322 -6.320 166 2HB LEU 33 HB1 LEU 33 -3.062 -3.613 -7.446 167 HG LEU 33 HG LEU 33 -2.353 -0.704 -7.779 168 1HD1 LEU 33 HD11 LEU 33 -0.152 -1.329 -7.494 169 2HD1 LEU 33 HD12 LEU 33 -0.466 -3.013 -7.912 170 3HD1 LEU 33 HD13 LEU 33 -0.978 -2.384 -6.347 171 1HD2 LEU 33 HD21 LEU 33 -1.177 -1.744 -9.876 172 2HD2 LEU 33 HD22 LEU 33 -2.861 -1.231 -9.957 173 3HD2 LEU 33 HD23 LEU 33 -2.469 -2.938 -9.750 174 H LEU 34 HN LEU 34 -5.520 -0.672 -6.307 175 HA LEU 34 HA LEU 34 -6.939 -2.428 -4.553 176 1HB LEU 34 HB2 LEU 34 -7.247 0.570 -4.738 177 2HB LEU 34 HB1 LEU 34 -7.586 -0.451 -3.356 178 HG LEU 34 HG LEU 34 -4.819 -0.038 -4.483 179 1HD1 LEU 34 HD11 LEU 34 -4.758 1.241 -2.136 180 2HD1 LEU 34 HD12 LEU 34 -6.430 1.562 -2.597 181 3HD1 LEU 34 HD13 LEU 34 -5.113 2.046 -3.665 182 1HD2 LEU 34 HD21 LEU 34 -4.493 -0.756 -1.918 183 2HD2 LEU 34 HD22 LEU 34 -4.537 -1.910 -3.251 184 3HD2 LEU 34 HD23 LEU 34 -5.984 -1.621 -2.287 185 H LYS 35 HN LYS 35 -7.780 -0.188 -7.123 186 HA LYS 35 HA LYS 35 -10.550 -0.203 -6.935 187 1HB LYS 35 HB2 LYS 35 -8.664 0.075 -9.265 188 2HB LYS 35 HB1 LYS 35 -10.400 0.173 -9.485 189 1HG LYS 35 HG2 LYS 35 -8.654 1.991 -7.851 190 2HG LYS 35 HG1 LYS 35 -9.563 2.388 -9.310 191 1HD LYS 35 HD2 LYS 35 -11.653 1.806 -8.009 192 2HD LYS 35 HD1 LYS 35 -10.637 1.759 -6.568 193 1HE LYS 35 HE2 LYS 35 -11.869 3.940 -7.078 194 2HE LYS 35 HE1 LYS 35 -10.152 4.043 -6.692 195 1HZ LYS 35 HZ1 LYS 35 -9.612 4.373 -8.943 196 2HZ LYS 35 HZ2 LYS 35 -10.935 5.385 -8.653 197 3HZ LYS 35 HZ3 LYS 35 -11.154 3.925 -9.478 198 H SER 36 HN SER 36 -8.354 -2.497 -8.445 199 HA SER 36 HA SER 36 -10.542 -4.147 -9.406 200 1HB SER 36 HB2 SER 36 -7.807 -3.794 -10.114 201 2HB SER 36 HB1 SER 36 -8.017 -5.476 -9.626 202 HG SER 36 HG SER 36 -9.927 -5.395 -11.081 203 H ALA 37 HN ALA 37 -8.555 -3.868 -6.627 204 HA ALA 37 HA ALA 37 -8.892 -6.626 -5.800 205 1HB ALA 37 HB1 ALA 37 -7.659 -4.270 -4.371 206 2HB ALA 37 HB2 ALA 37 -6.802 -5.518 -5.276 207 3HB ALA 37 HB3 ALA 37 -7.652 -5.934 -3.788 208 H GLY 38 HN GLY 38 -11.050 -4.262 -5.986 209 1HA GLY 38 HA2 GLY 38 -13.207 -4.421 -5.012 210 2HA GLY 38 HA1 GLY 38 -12.491 -5.224 -3.622 211 H ALA 39 HN ALA 39 -11.386 -2.232 -5.123 212 HA ALA 39 HA ALA 39 -11.994 -0.851 -2.599 213 1HB ALA 39 HB1 ALA 39 -9.945 0.167 -4.516 214 2HB ALA 39 HB2 ALA 39 -9.557 -1.191 -3.458 215 3HB ALA 39 HB3 ALA 39 -10.042 0.352 -2.767 216 H GLN 40 HN GLN 40 -12.887 1.303 -2.696 217 HA GLN 40 HA GLN 40 -13.945 2.036 -5.346 218 1HB GLN 40 HB2 GLN 40 -15.539 1.245 -3.428 219 2HB GLN 40 HB1 GLN 40 -15.280 2.864 -2.794 220 1HG GLN 40 HG2 GLN 40 -16.137 2.462 -5.629 221 2HG GLN 40 HG1 GLN 40 -17.311 2.411 -4.314 222 1HE2 GLN 40 HE21 GLN 40 -17.724 4.280 -6.125 223 2HE2 GLN 40 HE22 GLN 40 -17.284 5.847 -5.547 224 H LYS 41 HN LYS 41 -13.474 3.577 -2.156 225 HA LYS 41 HA LYS 41 -13.236 6.184 -3.063 226 1HB LYS 41 HB2 LYS 41 -11.945 6.585 -0.931 227 2HB LYS 41 HB1 LYS 41 -13.515 5.823 -0.733 228 1HG LYS 41 HG2 LYS 41 -11.242 3.982 -1.017 229 2HG LYS 41 HG1 LYS 41 -11.256 4.964 0.447 230 1HD LYS 41 HD2 LYS 41 -13.822 4.166 0.409 231 2HD LYS 41 HD1 LYS 41 -13.069 2.791 -0.402 232 1HE LYS 41 HE2 LYS 41 -11.423 2.729 1.516 233 2HE LYS 41 HE1 LYS 41 -12.475 3.879 2.339 234 1HZ LYS 41 HZ1 LYS 41 -13.374 1.979 3.123 235 2HZ LYS 41 HZ2 LYS 41 -12.883 1.047 1.799 236 3HZ LYS 41 HZ3 LYS 41 -14.249 2.038 1.675 237 H GLU 42 HN GLU 42 -11.055 7.458 -2.546 238 HA GLU 42 HA GLU 42 -9.075 6.319 -4.381 239 1HB GLU 42 HB2 GLU 42 -8.183 8.662 -4.444 240 2HB GLU 42 HB1 GLU 42 -9.827 8.489 -5.044 241 1HG GLU 42 HG2 GLU 42 -10.749 9.551 -3.207 242 2HG GLU 42 HG1 GLU 42 -9.333 9.254 -2.199 243 H THR 43 HN THR 43 -9.490 7.392 -1.085 244 HA THR 43 HA THR 43 -6.640 6.881 -0.561 245 HB THR 43 HB THR 43 -8.235 8.010 1.632 246 HG1 THR 43 HG1 THR 43 -7.844 9.506 -0.744 247 1HG2 THR 43 HG21 THR 43 -5.968 8.144 2.009 248 2HG2 THR 43 HG22 THR 43 -6.354 9.761 1.420 249 3HG2 THR 43 HG23 THR 43 -5.610 8.582 0.339 250 H PHE 44 HN PHE 44 -6.037 5.585 1.238 251 HA PHE 44 HA PHE 44 -8.100 4.016 2.554 252 1HB PHE 44 HB2 PHE 44 -5.925 2.676 0.938 253 2HB PHE 44 HB1 PHE 44 -7.168 1.870 1.886 254 HD1 PHE 44 HD1 PHE 44 -6.550 3.924 -1.112 255 HD2 PHE 44 HD2 PHE 44 -9.315 1.477 1.003 256 HE1 PHE 44 HE1 PHE 44 -8.005 3.860 -3.096 257 HE2 PHE 44 HE2 PHE 44 -10.774 1.413 -0.977 258 HZ PHE 44 HZ PHE 44 -10.121 2.606 -3.028 259 H THR 45 HN THR 45 -7.442 3.118 4.497 260 HA THR 45 HA THR 45 -5.037 4.223 5.623 261 HB THR 45 HB THR 45 -5.815 2.764 7.637 262 HG1 THR 45 HG1 THR 45 -7.417 1.523 7.135 263 1HG2 THR 45 HG21 THR 45 -7.396 4.388 8.378 264 2HG2 THR 45 HG22 THR 45 -7.697 4.927 6.728 265 3HG2 THR 45 HG23 THR 45 -6.133 5.230 7.482 266 H MET 46 HN MET 46 -3.244 3.086 6.372 267 HA MET 46 HA MET 46 -2.064 1.264 4.810 268 1HB MET 46 HB2 MET 46 -1.459 2.408 7.230 269 2HB MET 46 HB1 MET 46 -1.475 0.691 7.615 270 1HG MET 46 HG2 MET 46 0.700 0.955 6.988 271 2HG MET 46 HG1 MET 46 -0.034 0.506 5.449 272 1HE MET 46 HE1 MET 46 0.096 1.464 3.564 273 2HE MET 46 HE2 MET 46 1.799 1.924 3.596 274 3HE MET 46 HE3 MET 46 0.579 3.100 3.113 275 H LYS 47 HN LYS 47 -4.448 0.484 7.271 276 HA LYS 47 HA LYS 47 -3.995 -2.329 7.221 277 1HB LYS 47 HB2 LYS 47 -5.431 -0.661 8.829 278 2HB LYS 47 HB1 LYS 47 -6.714 -1.421 7.895 279 1HG LYS 47 HG2 LYS 47 -6.563 -2.897 9.615 280 2HG LYS 47 HG1 LYS 47 -5.394 -3.615 8.507 281 1HD LYS 47 HD2 LYS 47 -4.847 -1.907 10.926 282 2HD LYS 47 HD1 LYS 47 -4.388 -3.585 10.653 283 1HE LYS 47 HE2 LYS 47 -3.363 -1.292 8.994 284 2HE LYS 47 HE1 LYS 47 -2.532 -1.914 10.416 285 1HZ LYS 47 HZ1 LYS 47 -1.923 -3.803 9.354 286 2HZ LYS 47 HZ2 LYS 47 -2.013 -2.794 8.000 287 3HZ LYS 47 HZ3 LYS 47 -3.291 -3.842 8.358 288 H GLU 48 HN GLU 48 -6.321 -0.195 5.593 289 HA GLU 48 HA GLU 48 -7.640 -2.294 4.195 290 1HB GLU 48 HB2 GLU 48 -7.526 0.589 3.331 291 2HB GLU 48 HB1 GLU 48 -8.791 -0.586 3.006 292 1HG GLU 48 HG2 GLU 48 -8.431 -0.287 5.835 293 2HG GLU 48 HG1 GLU 48 -8.677 1.287 5.080 294 H VAL 49 HN VAL 49 -5.150 0.067 3.269 295 HA VAL 49 HA VAL 49 -4.824 -0.641 0.607 296 HB VAL 49 HB VAL 49 -2.552 0.113 2.448 297 1HG1 VAL 49 HG11 VAL 49 -2.291 -0.655 -0.054 298 2HG1 VAL 49 HG12 VAL 49 -1.357 0.698 0.585 299 3HG1 VAL 49 HG13 VAL 49 -2.800 1.002 -0.382 300 1HG2 VAL 49 HG21 VAL 49 -3.776 2.284 0.943 301 2HG2 VAL 49 HG22 VAL 49 -3.305 2.207 2.640 302 3HG2 VAL 49 HG23 VAL 49 -4.867 1.571 2.130 303 H LEU 50 HN LEU 50 -2.806 -1.752 3.320 304 HA LEU 50 HA LEU 50 -1.417 -3.728 1.939 305 1HB LEU 50 HB2 LEU 50 -1.405 -2.715 4.481 306 2HB LEU 50 HB1 LEU 50 -1.992 -4.344 4.753 307 HG LEU 50 HG LEU 50 0.579 -3.614 3.353 308 1HD1 LEU 50 HD11 LEU 50 1.016 -3.162 5.574 309 2HD1 LEU 50 HD12 LEU 50 1.484 -4.858 5.442 310 3HD1 LEU 50 HD13 LEU 50 -0.071 -4.425 6.153 311 1HD2 LEU 50 HD21 LEU 50 -0.425 -6.325 4.199 312 2HD2 LEU 50 HD22 LEU 50 1.071 -5.962 3.338 313 3HD2 LEU 50 HD23 LEU 50 -0.486 -5.705 2.549 314 H TYR 51 HN TYR 51 -4.656 -3.715 3.113 315 HA TYR 51 HA TYR 51 -4.982 -6.549 3.270 316 1HB TYR 51 HB2 TYR 51 -6.418 -5.038 4.552 317 2HB TYR 51 HB1 TYR 51 -7.066 -4.367 3.061 318 HD1 TYR 51 HD1 TYR 51 -6.720 -7.612 4.866 319 HD2 TYR 51 HD2 TYR 51 -9.015 -5.256 2.168 320 HE1 TYR 51 HE1 TYR 51 -8.473 -9.336 4.862 321 HE2 TYR 51 HE2 TYR 51 -10.775 -6.973 2.157 322 HH TYR 51 HH TYR 51 -10.311 -10.091 3.448 323 H HIS 52 HN HIS 52 -6.253 -4.148 0.917 324 HA HIS 52 HA HIS 52 -7.312 -6.003 -0.867 325 1HB HIS 52 HB2 HIS 52 -6.046 -3.496 -1.914 326 2HB HIS 52 HB1 HIS 52 -7.531 -4.284 -2.418 327 HD1 HIS 52 HD1 HIS 52 -9.468 -4.203 -0.399 328 HD2 HIS 52 HD2 HIS 52 -6.517 -1.278 -0.440 329 HE1 HIS 52 HE1 HIS 52 -10.393 -2.294 0.951 330 HE2 HIS 52 HE2 HIS 52 -8.626 -0.503 0.839 331 H LEU 53 HN LEU 53 -4.042 -4.630 -0.713 332 HA LEU 53 HA LEU 53 -2.904 -5.587 -2.978 333 1HB LEU 53 HB2 LEU 53 -2.039 -4.636 -0.451 334 2HB LEU 53 HB1 LEU 53 -1.092 -6.063 -0.829 335 HG LEU 53 HG LEU 53 -0.287 -5.102 -2.837 336 1HD1 LEU 53 HD11 LEU 53 -2.542 -3.249 -2.493 337 2HD1 LEU 53 HD12 LEU 53 -1.844 -3.936 -3.961 338 3HD1 LEU 53 HD13 LEU 53 -1.062 -2.566 -3.168 339 1HD2 LEU 53 HD21 LEU 53 -0.050 -2.655 -1.248 340 2HD2 LEU 53 HD22 LEU 53 1.203 -3.730 -1.870 341 3HD2 LEU 53 HD23 LEU 53 0.348 -4.138 -0.382 342 H GLY 54 HN GLY 54 -3.273 -7.376 0.085 343 1HA GLY 54 HA2 GLY 54 -2.060 -9.761 -0.701 344 2HA GLY 54 HA1 GLY 54 -3.343 -9.639 0.497 345 H GLN 55 HN GLN 55 -5.373 -8.629 -1.159 346 HA GLN 55 HA GLN 55 -6.226 -11.066 -2.430 347 1HB GLN 55 HB2 GLN 55 -7.607 -8.383 -2.510 348 2HB GLN 55 HB1 GLN 55 -8.329 -9.967 -2.758 349 1HG GLN 55 HG2 GLN 55 -7.678 -10.485 -0.368 350 2HG GLN 55 HG1 GLN 55 -7.323 -8.766 -0.199 351 1HE2 GLN 55 HE21 GLN 55 -9.908 -10.798 -1.547 352 2HE2 GLN 55 HE22 GLN 55 -11.209 -9.907 -0.841 353 H TYR 56 HN TYR 56 -4.873 -8.022 -3.411 354 HA TYR 56 HA TYR 56 -5.594 -8.080 -6.142 355 1HB TYR 56 HB2 TYR 56 -4.866 -5.998 -5.269 356 2HB TYR 56 HB1 TYR 56 -3.397 -6.702 -4.607 357 HD1 TYR 56 HD1 TYR 56 -5.072 -5.757 -7.774 358 HD2 TYR 56 HD2 TYR 56 -1.411 -6.768 -5.865 359 HE1 TYR 56 HE1 TYR 56 -3.848 -5.124 -9.809 360 HE2 TYR 56 HE2 TYR 56 -0.172 -6.128 -7.891 361 HH TYR 56 HH TYR 56 -0.557 -4.599 -9.880 362 H ILE 57 HN ILE 57 -2.623 -9.086 -4.456 363 HA ILE 57 HA ILE 57 -1.221 -9.990 -6.699 364 HB ILE 57 HB ILE 57 -1.049 -11.067 -3.881 365 1HG1 ILE 57 HG12 ILE 57 0.467 -8.821 -5.229 366 2HG1 ILE 57 HG11 ILE 57 -0.744 -8.634 -3.965 367 1HG2 ILE 57 HG21 ILE 57 1.396 -11.028 -5.443 368 2HG2 ILE 57 HG22 ILE 57 0.151 -12.035 -6.181 369 3HG2 ILE 57 HG23 ILE 57 0.663 -12.342 -4.522 370 1HD1 ILE 57 HD11 ILE 57 1.831 -8.606 -3.437 371 2HD1 ILE 57 HD12 ILE 57 1.604 -10.355 -3.402 372 3HD1 ILE 57 HD13 ILE 57 0.667 -9.322 -2.322 373 H MET 58 HN MET 58 -3.153 -11.892 -4.369 374 HA MET 58 HA MET 58 -2.917 -14.351 -5.663 375 1HB MET 58 HB2 MET 58 -4.820 -15.070 -4.367 376 2HB MET 58 HB1 MET 58 -3.813 -14.032 -3.369 377 1HG MET 58 HG2 MET 58 -5.337 -12.166 -3.775 378 2HG MET 58 HG1 MET 58 -6.350 -13.214 -4.767 379 1HE MET 58 HE1 MET 58 -8.922 -14.066 -2.555 380 2HE MET 58 HE2 MET 58 -8.025 -15.414 -3.254 381 3HE MET 58 HE3 MET 58 -8.210 -13.914 -4.162 382 H ALA 59 HN ALA 59 -4.999 -11.624 -6.305 383 HA ALA 59 HA ALA 59 -6.795 -12.994 -8.049 384 1HB ALA 59 HB1 ALA 59 -7.742 -11.064 -7.241 385 2HB ALA 59 HB2 ALA 59 -7.190 -10.517 -8.824 386 3HB ALA 59 HB3 ALA 59 -6.246 -10.141 -7.383 387 H LYS 60 HN LYS 60 -4.211 -10.618 -8.703 388 HA LYS 60 HA LYS 60 -4.211 -11.000 -11.494 389 1HB LYS 60 HB2 LYS 60 -2.291 -9.790 -9.538 390 2HB LYS 60 HB1 LYS 60 -1.796 -10.025 -11.208 391 1HG LYS 60 HG2 LYS 60 -2.655 -7.766 -10.768 392 2HG LYS 60 HG1 LYS 60 -3.594 -8.627 -11.989 393 1HD LYS 60 HD2 LYS 60 -5.271 -9.186 -10.288 394 2HD LYS 60 HD1 LYS 60 -4.334 -8.307 -9.080 395 1HE LYS 60 HE2 LYS 60 -5.596 -6.546 -9.632 396 2HE LYS 60 HE1 LYS 60 -4.601 -6.458 -11.085 397 1HZ LYS 60 HZ1 LYS 60 -6.863 -8.283 -11.183 398 2HZ LYS 60 HZ2 LYS 60 -6.256 -7.246 -12.373 399 3HZ LYS 60 HZ3 LYS 60 -7.243 -6.635 -11.142 400 H GLN 61 HN GLN 61 -2.842 -12.815 -8.905 401 HA GLN 61 HA GLN 61 -1.743 -14.803 -8.851 402 1HB GLN 61 HB2 GLN 61 -3.300 -15.331 -10.778 403 2HB GLN 61 HB1 GLN 61 -1.985 -14.888 -11.858 404 1HG GLN 61 HG2 GLN 61 -1.277 -16.978 -11.743 405 2HG GLN 61 HG1 GLN 61 -0.871 -16.697 -10.051 406 1HE2 GLN 61 HE21 GLN 61 -3.470 -16.420 -9.043 407 2HE2 GLN 61 HE22 GLN 61 -4.252 -17.958 -9.124 408 H LEU 62 HN LEU 62 -0.046 -13.056 -8.354 409 HA LEU 62 HA LEU 62 2.123 -13.146 -10.337 410 1HB LEU 62 HB2 LEU 62 2.168 -11.363 -7.939 411 2HB LEU 62 HB1 LEU 62 2.945 -11.145 -9.495 412 HG LEU 62 HG LEU 62 0.020 -10.774 -8.861 413 1HD1 LEU 62 HD11 LEU 62 1.213 -8.880 -8.153 414 2HD1 LEU 62 HD12 LEU 62 0.583 -8.459 -9.746 415 3HD1 LEU 62 HD13 LEU 62 2.276 -8.920 -9.560 416 1HD2 LEU 62 HD21 LEU 62 1.404 -11.248 -11.406 417 2HD2 LEU 62 HD22 LEU 62 0.343 -9.841 -11.386 418 3HD2 LEU 62 HD23 LEU 62 -0.298 -11.435 -10.986 419 H TYR 63 HN TYR 63 1.187 -14.976 -7.896 420 HA TYR 63 HA TYR 63 3.720 -15.113 -6.463 421 1HB TYR 63 HB2 TYR 63 2.551 -16.818 -5.075 422 2HB TYR 63 HB1 TYR 63 1.724 -15.264 -5.108 423 HD1 TYR 63 HD1 TYR 63 1.706 -18.610 -6.753 424 HD2 TYR 63 HD2 TYR 63 -0.541 -15.177 -5.627 425 HE1 TYR 63 HE1 TYR 63 -0.359 -19.731 -7.480 426 HE2 TYR 63 HE2 TYR 63 -2.613 -16.289 -6.351 427 HH TYR 63 HH TYR 63 -3.241 -19.030 -6.596 428 H ASP 64 HN ASP 64 4.845 -17.152 -6.208 429 HA ASP 64 HA ASP 64 4.987 -18.584 -8.727 430 1HB ASP 64 HB2 ASP 64 7.049 -17.814 -7.588 431 2HB ASP 64 HB1 ASP 64 6.683 -18.882 -6.239 432 H GLU 65 HN GLU 65 4.630 -20.763 -9.017 433 HA GLU 65 HA GLU 65 2.620 -21.966 -7.469 434 1HB GLU 65 HB2 GLU 65 3.981 -22.509 -9.898 435 2HB GLU 65 HB1 GLU 65 4.081 -23.962 -8.913 436 1HG GLU 65 HG2 GLU 65 1.457 -22.586 -9.209 437 2HG GLU 65 HG1 GLU 65 2.072 -23.574 -10.534 438 H LYS 66 HN LYS 66 6.052 -22.896 -7.791 439 HA LYS 66 HA LYS 66 6.084 -24.904 -5.880 440 1HB LYS 66 HB2 LYS 66 8.333 -22.979 -6.495 441 2HB LYS 66 HB1 LYS 66 8.496 -24.569 -5.763 442 1HG LYS 66 HG2 LYS 66 8.866 -25.327 -7.817 443 2HG LYS 66 HG1 LYS 66 7.142 -25.087 -8.106 444 1HD LYS 66 HD2 LYS 66 7.486 -23.030 -9.163 445 2HD LYS 66 HD1 LYS 66 9.105 -22.851 -8.486 446 1HE LYS 66 HE2 LYS 66 9.397 -25.145 -9.888 447 2HE LYS 66 HE1 LYS 66 8.197 -24.312 -10.875 448 1HZ LYS 66 HZ1 LYS 66 10.989 -23.653 -10.398 449 2HZ LYS 66 HZ2 LYS 66 9.921 -22.343 -10.470 450 3HZ LYS 66 HZ3 LYS 66 10.038 -23.411 -11.777 451 H GLN 67 HN GLN 67 6.925 -21.470 -5.435 452 HA GLN 67 HA GLN 67 6.434 -21.825 -2.550 453 1HB GLN 67 HB2 GLN 67 7.903 -19.657 -2.442 454 2HB GLN 67 HB1 GLN 67 8.666 -21.233 -2.583 455 1HG GLN 67 HG2 GLN 67 8.058 -19.545 -4.984 456 2HG GLN 67 HG1 GLN 67 9.544 -19.359 -4.057 457 1HE2 GLN 67 HE21 GLN 67 9.846 -19.971 -6.611 458 2HE2 GLN 67 HE22 GLN 67 10.310 -21.621 -6.822 459 H GLN 68 HN GLN 68 4.730 -20.787 -1.774 460 HA GLN 68 HA GLN 68 3.293 -18.918 -3.436 461 1HB GLN 68 HB2 GLN 68 2.765 -20.187 -0.764 462 2HB GLN 68 HB1 GLN 68 1.754 -18.880 -1.362 463 1HG GLN 68 HG2 GLN 68 0.633 -20.831 -1.970 464 2HG GLN 68 HG1 GLN 68 1.429 -20.293 -3.448 465 1HE2 GLN 68 HE21 GLN 68 1.604 -22.236 -4.440 466 2HE2 GLN 68 HE22 GLN 68 2.563 -23.543 -3.844 467 H HIS 69 HN HIS 69 5.671 -18.697 -1.000 468 HA HIS 69 HA HIS 69 4.867 -16.043 -0.142 469 1HB HIS 69 HB2 HIS 69 6.608 -16.177 1.469 470 2HB HIS 69 HB1 HIS 69 5.868 -17.772 1.411 471 HD1 HIS 69 HD1 HIS 69 7.349 -19.719 0.800 472 HD2 HIS 69 HD2 HIS 69 9.202 -16.043 0.233 473 HE1 HIS 69 HE1 HIS 69 9.760 -20.249 0.317 474 HE2 HIS 69 HE2 HIS 69 10.840 -18.014 -0.114 475 H ILE 70 HN ILE 70 6.104 -16.998 -2.913 476 HA ILE 70 HA ILE 70 7.991 -14.742 -3.099 477 HB ILE 70 HB ILE 70 8.017 -17.302 -4.705 478 1HG1 ILE 70 HG12 ILE 70 8.888 -17.723 -2.510 479 2HG1 ILE 70 HG11 ILE 70 10.259 -17.588 -3.606 480 1HG2 ILE 70 HG21 ILE 70 10.387 -16.035 -5.197 481 2HG2 ILE 70 HG22 ILE 70 9.252 -14.686 -5.137 482 3HG2 ILE 70 HG23 ILE 70 8.982 -16.017 -6.263 483 1HD1 ILE 70 HD11 ILE 70 10.651 -15.309 -2.843 484 2HD1 ILE 70 HD12 ILE 70 10.693 -16.458 -1.506 485 3HD1 ILE 70 HD13 ILE 70 9.275 -15.438 -1.748 486 H VAL 71 HN VAL 71 7.578 -13.213 -4.567 487 HA VAL 71 HA VAL 71 5.493 -13.736 -6.583 488 HB VAL 71 HB VAL 71 5.848 -11.068 -5.229 489 1HG1 VAL 71 HG11 VAL 71 4.708 -11.363 -7.510 490 2HG1 VAL 71 HG12 VAL 71 3.854 -10.448 -6.268 491 3HG1 VAL 71 HG13 VAL 71 3.400 -12.119 -6.602 492 1HG2 VAL 71 HG21 VAL 71 4.348 -13.465 -4.330 493 2HG2 VAL 71 HG22 VAL 71 3.551 -11.900 -4.168 494 3HG2 VAL 71 HG23 VAL 71 5.107 -12.182 -3.387 495 H HIS 72 HN HIS 72 6.563 -13.782 -8.476 496 HA HIS 72 HA HIS 72 8.387 -11.542 -9.047 497 1HB HIS 72 HB2 HIS 72 9.532 -13.295 -10.615 498 2HB HIS 72 HB1 HIS 72 9.923 -13.265 -8.900 499 HD1 HIS 72 HD1 HIS 72 10.462 -15.690 -8.546 500 HD2 HIS 72 HD2 HIS 72 6.787 -15.128 -10.403 501 HE1 HIS 72 HE1 HIS 72 9.386 -17.961 -8.608 502 HE2 HIS 72 HE2 HIS 72 7.207 -17.613 -9.824 503 H CYS 73 HN CYS 73 7.068 -10.311 -10.274 504 HA CYS 73 HA CYS 73 6.133 -11.496 -12.797 505 1HB CYS 73 HB2 CYS 73 4.383 -10.796 -10.855 506 2HB CYS 73 HB1 CYS 73 4.534 -9.257 -11.697 507 HG CYS 73 HG CYS 73 3.598 -11.837 -13.166 508 H SER 74 HN SER 74 7.584 -10.639 -14.191 509 HA SER 74 HA SER 74 8.755 -8.090 -13.882 510 1HB SER 74 HB2 SER 74 8.645 -9.158 -16.630 511 2HB SER 74 HB1 SER 74 10.037 -8.655 -15.672 512 HG SER 74 HG SER 74 9.615 -10.686 -14.458 513 H ASN 75 HN ASN 75 6.106 -9.173 -16.017 514 HA ASN 75 HA ASN 75 5.622 -6.319 -16.527 515 1HB ASN 75 HB2 ASN 75 5.822 -7.965 -18.466 516 2HB ASN 75 HB1 ASN 75 4.288 -8.641 -17.925 517 1HD2 ASN 75 HD21 ASN 75 5.873 -5.824 -19.241 518 2HD2 ASN 75 HD22 ASN 75 4.444 -5.057 -19.837 519 H ASP 76 HN ASP 76 4.652 -5.776 -14.638 520 HA ASP 76 HA ASP 76 1.849 -6.362 -14.476 521 1HB ASP 76 HB2 ASP 76 3.508 -8.079 -13.039 522 2HB ASP 76 HB1 ASP 76 2.924 -6.933 -11.836 523 HA PRO 77 HA PRO 77 1.771 -2.198 -13.006 524 1HB PRO 77 HB2 PRO 77 -0.395 -3.030 -11.173 525 2HB PRO 77 HB1 PRO 77 -0.392 -1.794 -12.428 526 1HG PRO 77 HG2 PRO 77 -1.666 -4.168 -12.692 527 2HG PRO 77 HG1 PRO 77 -1.024 -3.242 -14.057 528 1HD PRO 77 HD2 PRO 77 -0.024 -5.733 -12.834 529 2HD PRO 77 HD1 PRO 77 0.207 -5.094 -14.469 530 H LEU 78 HN LEU 78 1.734 -4.910 -10.779 531 HA LEU 78 HA LEU 78 2.410 -3.452 -8.438 532 1HB LEU 78 HB2 LEU 78 1.519 -5.928 -8.832 533 2HB LEU 78 HB1 LEU 78 3.231 -6.297 -8.760 534 HG LEU 78 HG LEU 78 3.388 -5.381 -6.526 535 1HD1 LEU 78 HD11 LEU 78 1.102 -4.809 -5.427 536 2HD1 LEU 78 HD12 LEU 78 0.597 -4.482 -7.085 537 3HD1 LEU 78 HD13 LEU 78 1.946 -3.589 -6.382 538 1HD2 LEU 78 HD21 LEU 78 1.837 -6.940 -5.350 539 2HD2 LEU 78 HD22 LEU 78 2.788 -7.692 -6.631 540 3HD2 LEU 78 HD23 LEU 78 1.093 -7.293 -6.909 541 H GLY 79 HN GLY 79 4.425 -5.766 -10.273 542 1HA GLY 79 HA2 GLY 79 6.866 -5.041 -9.150 543 2HA GLY 79 HA1 GLY 79 6.675 -5.759 -10.744 544 H GLU 80 HN GLU 80 5.020 -3.518 -11.681 545 HA GLU 80 HA GLU 80 7.129 -1.847 -12.641 546 1HB GLU 80 HB2 GLU 80 5.413 -2.204 -14.194 547 2HB GLU 80 HB1 GLU 80 4.149 -1.938 -13.005 548 1HG GLU 80 HG2 GLU 80 4.410 -0.148 -14.735 549 2HG GLU 80 HG1 GLU 80 4.454 0.400 -13.060 550 H LEU 81 HN LEU 81 4.748 -1.666 -10.106 551 HA LEU 81 HA LEU 81 5.024 1.146 -9.630 552 1HB LEU 81 HB2 LEU 81 2.990 -0.065 -9.004 553 2HB LEU 81 HB1 LEU 81 3.910 -1.056 -7.890 554 HG LEU 81 HG LEU 81 4.313 0.807 -6.436 555 1HD1 LEU 81 HD11 LEU 81 2.859 2.546 -8.421 556 2HD1 LEU 81 HD12 LEU 81 4.612 2.494 -8.229 557 3HD1 LEU 81 HD13 LEU 81 3.595 3.049 -6.899 558 1HD2 LEU 81 HD21 LEU 81 2.221 0.971 -5.546 559 2HD2 LEU 81 HD22 LEU 81 1.955 -0.365 -6.665 560 3HD2 LEU 81 HD23 LEU 81 1.456 1.268 -7.107 561 H PHE 82 HN PHE 82 5.940 -1.690 -7.672 562 HA PHE 82 HA PHE 82 7.598 -0.257 -5.906 563 1HB PHE 82 HB2 PHE 82 7.853 -3.188 -6.592 564 2HB PHE 82 HB1 PHE 82 8.332 -2.395 -5.096 565 HD1 PHE 82 HD1 PHE 82 5.760 -0.665 -4.934 566 HD2 PHE 82 HD2 PHE 82 6.460 -4.818 -5.545 567 HE1 PHE 82 HE1 PHE 82 3.557 -1.176 -3.964 568 HE2 PHE 82 HE2 PHE 82 4.259 -5.335 -4.576 569 HZ PHE 82 HZ PHE 82 2.804 -3.513 -3.785 570 H GLY 83 HN GLY 83 8.157 -1.597 -9.063 571 1HA GLY 83 HA2 GLY 83 9.923 -1.100 -10.494 572 2HA GLY 83 HA1 GLY 83 10.750 -0.314 -9.159 573 H VAL 84 HN VAL 84 9.495 -3.606 -9.144 574 HA VAL 84 HA VAL 84 12.222 -4.656 -9.351 575 HB VAL 84 HB VAL 84 11.847 -6.164 -7.432 576 1HG1 VAL 84 HG11 VAL 84 12.802 -3.684 -7.369 577 2HG1 VAL 84 HG12 VAL 84 12.659 -4.675 -5.917 578 3HG1 VAL 84 HG13 VAL 84 11.431 -3.463 -6.281 579 1HG2 VAL 84 HG21 VAL 84 10.021 -5.595 -5.835 580 2HG2 VAL 84 HG22 VAL 84 9.451 -6.253 -7.369 581 3HG2 VAL 84 HG23 VAL 84 9.347 -4.519 -7.060 582 H GLN 85 HN GLN 85 12.338 -6.900 -9.890 583 HA GLN 85 HA GLN 85 10.066 -7.766 -11.482 584 1HB GLN 85 HB2 GLN 85 12.246 -7.853 -12.530 585 2HB GLN 85 HB1 GLN 85 12.881 -8.835 -11.217 586 1HG GLN 85 HG2 GLN 85 11.344 -10.639 -11.846 587 2HG GLN 85 HG1 GLN 85 10.765 -9.659 -13.191 588 1HE2 GLN 85 HE21 GLN 85 11.553 -11.842 -14.133 589 2HE2 GLN 85 HE22 GLN 85 13.166 -11.832 -14.752 590 H GLU 86 HN GLU 86 11.734 -8.606 -8.545 591 HA GLU 86 HA GLU 86 9.645 -10.536 -7.926 592 1HB GLU 86 HB2 GLU 86 11.218 -12.271 -7.249 593 2HB GLU 86 HB1 GLU 86 11.424 -11.886 -8.952 594 1HG GLU 86 HG2 GLU 86 13.186 -10.200 -7.599 595 2HG GLU 86 HG1 GLU 86 13.325 -11.765 -6.800 596 H PHE 87 HN PHE 87 9.419 -10.961 -5.681 597 HA PHE 87 HA PHE 87 11.145 -9.700 -3.770 598 1HB PHE 87 HB2 PHE 87 9.512 -8.126 -2.862 599 2HB PHE 87 HB1 PHE 87 9.856 -7.748 -4.546 600 HD1 PHE 87 HD1 PHE 87 7.353 -8.951 -2.182 601 HD2 PHE 87 HD2 PHE 87 8.184 -8.092 -6.267 602 HE1 PHE 87 HE1 PHE 87 4.946 -9.035 -2.685 603 HE2 PHE 87 HE2 PHE 87 5.778 -8.174 -6.777 604 HZ PHE 87 HZ PHE 87 4.156 -8.645 -4.985 605 H SER 88 HN SER 88 11.166 -10.995 -2.065 606 HA SER 88 HA SER 88 9.096 -12.978 -1.712 607 1HB SER 88 HB2 SER 88 11.379 -13.686 -1.360 608 2HB SER 88 HB1 SER 88 11.640 -12.407 -0.174 609 HG SER 88 HG SER 88 10.821 -14.838 0.299 610 H VAL 89 HN VAL 89 7.306 -12.605 -0.592 611 HA VAL 89 HA VAL 89 6.827 -10.282 0.887 612 HB VAL 89 HB VAL 89 4.857 -11.627 1.849 613 1HG1 VAL 89 HG11 VAL 89 4.294 -10.148 0.189 614 2HG1 VAL 89 HG12 VAL 89 3.818 -11.680 -0.544 615 3HG1 VAL 89 HG13 VAL 89 5.339 -10.915 -1.005 616 1HG2 VAL 89 HG21 VAL 89 5.995 -13.839 1.351 617 2HG2 VAL 89 HG22 VAL 89 5.589 -13.552 -0.342 618 3HG2 VAL 89 HG23 VAL 89 4.307 -13.695 0.861 619 H LYS 90 HN LYS 90 8.480 -13.137 1.792 620 HA LYS 90 HA LYS 90 7.959 -13.408 4.484 621 1HB LYS 90 HB2 LYS 90 9.619 -14.664 2.864 622 2HB LYS 90 HB1 LYS 90 10.795 -13.552 3.551 623 1HG LYS 90 HG2 LYS 90 10.754 -15.708 4.712 624 2HG LYS 90 HG1 LYS 90 10.323 -14.368 5.776 625 1HD LYS 90 HD2 LYS 90 8.042 -14.947 5.755 626 2HD LYS 90 HD1 LYS 90 8.243 -16.013 4.363 627 1HE LYS 90 HE2 LYS 90 9.881 -16.714 6.695 628 2HE LYS 90 HE1 LYS 90 8.142 -16.836 6.956 629 1HZ LYS 90 HZ1 LYS 90 7.955 -18.550 5.521 630 2HZ LYS 90 HZ2 LYS 90 9.581 -18.793 5.918 631 3HZ LYS 90 HZ3 LYS 90 9.172 -17.988 4.488 632 H GLU 91 HN GLU 91 9.697 -10.883 2.845 633 HA GLU 91 HA GLU 91 10.616 -9.757 5.389 634 1HB GLU 91 HB2 GLU 91 11.214 -8.856 2.565 635 2HB GLU 91 HB1 GLU 91 11.959 -8.234 4.031 636 1HG GLU 91 HG2 GLU 91 12.445 -10.914 4.232 637 2HG GLU 91 HG1 GLU 91 12.554 -10.640 2.494 638 H HIS 92 HN HIS 92 8.508 -9.142 6.100 639 HA HIS 92 HA HIS 92 6.712 -7.542 4.695 640 1HB HIS 92 HB2 HIS 92 7.245 -7.909 7.634 641 2HB HIS 92 HB1 HIS 92 5.996 -6.808 7.062 642 HD1 HIS 92 HD1 HIS 92 4.902 -8.965 8.695 643 HD2 HIS 92 HD2 HIS 92 5.643 -9.520 4.644 644 HE1 HIS 92 HE1 HIS 92 3.445 -10.894 8.004 645 HE2 HIS 92 HE2 HIS 92 3.981 -11.272 5.571 646 H ARG 93 HN ARG 93 9.649 -6.705 6.370 647 HA ARG 93 HA ARG 93 9.206 -3.949 6.699 648 1HB ARG 93 HB2 ARG 93 11.277 -5.753 7.223 649 2HB ARG 93 HB1 ARG 93 11.980 -4.567 6.131 650 1HG ARG 93 HG2 ARG 93 10.401 -3.338 8.235 651 2HG ARG 93 HG1 ARG 93 11.720 -4.328 8.863 652 1HD ARG 93 HD2 ARG 93 13.303 -2.920 8.107 653 2HD ARG 93 HD1 ARG 93 12.446 -2.609 6.597 654 HE ARG 93 HE ARG 93 11.059 -1.347 8.672 655 1HH1 ARG 93 HH11 ARG 93 14.113 -1.106 7.001 656 2HH1 ARG 93 HH12 ARG 93 14.267 0.598 7.268 657 1HH2 ARG 93 HH21 ARG 93 11.259 0.894 9.023 658 2HH2 ARG 93 HH22 ARG 93 12.646 1.734 8.416 659 H ARG 94 HN ARG 94 10.570 -5.801 4.011 660 HA ARG 94 HA ARG 94 11.360 -3.583 2.453 661 1HB ARG 94 HB2 ARG 94 10.936 -6.485 1.976 662 2HB ARG 94 HB1 ARG 94 10.963 -5.437 0.564 663 1HG ARG 94 HG2 ARG 94 13.157 -4.553 1.846 664 2HG ARG 94 HG1 ARG 94 13.140 -6.237 2.373 665 1HD ARG 94 HD2 ARG 94 12.753 -6.742 -0.148 666 2HD ARG 94 HD1 ARG 94 13.389 -5.116 -0.389 667 HE ARG 94 HE ARG 94 14.861 -7.458 0.391 668 1HH1 ARG 94 HH11 ARG 94 14.795 -3.969 0.451 669 2HH1 ARG 94 HH12 ARG 94 16.510 -3.815 0.625 670 1HH2 ARG 94 HH21 ARG 94 17.118 -7.257 0.620 671 2HH2 ARG 94 HH22 ARG 94 17.830 -5.681 0.721 672 H ILE 95 HN ILE 95 8.446 -5.627 2.290 673 HA ILE 95 HA ILE 95 7.186 -4.325 0.177 674 HB ILE 95 HB ILE 95 5.853 -5.647 2.541 675 1HG1 ILE 95 HG12 ILE 95 6.818 -6.761 -0.102 676 2HG1 ILE 95 HG11 ILE 95 7.440 -7.157 1.497 677 1HG2 ILE 95 HG21 ILE 95 4.860 -4.874 -0.191 678 2HG2 ILE 95 HG22 ILE 95 4.205 -4.419 1.381 679 3HG2 ILE 95 HG23 ILE 95 4.050 -6.080 0.809 680 1HD1 ILE 95 HD11 ILE 95 4.608 -7.641 1.340 681 2HD1 ILE 95 HD12 ILE 95 5.920 -8.739 1.768 682 3HD1 ILE 95 HD13 ILE 95 5.482 -8.505 0.075 683 H TYR 96 HN TYR 96 6.466 -3.892 3.651 684 HA TYR 96 HA TYR 96 4.731 -1.769 3.455 685 1HB TYR 96 HB2 TYR 96 5.423 -3.076 5.535 686 2HB TYR 96 HB1 TYR 96 6.790 -1.973 5.647 687 HD1 TYR 96 HD1 TYR 96 6.421 0.414 6.134 688 HD2 TYR 96 HD2 TYR 96 3.203 -2.369 6.112 689 HE1 TYR 96 HE1 TYR 96 5.020 2.033 7.343 690 HE2 TYR 96 HE2 TYR 96 1.793 -0.757 7.320 691 HH TYR 96 HH TYR 96 3.061 2.086 8.749 692 H ALA 97 HN ALA 97 8.171 -1.768 3.004 693 HA ALA 97 HA ALA 97 8.468 1.083 3.290 694 1HB ALA 97 HB1 ALA 97 10.764 0.734 2.662 695 2HB ALA 97 HB2 ALA 97 10.403 -0.900 2.103 696 3HB ALA 97 HB3 ALA 97 10.288 -0.509 3.819 697 H MET 98 HN MET 98 8.798 -1.159 0.520 698 HA MET 98 HA MET 98 9.076 0.798 -1.439 699 1HB MET 98 HB2 MET 98 8.719 -0.897 -3.038 700 2HB MET 98 HB1 MET 98 9.454 -1.704 -1.661 701 1HG MET 98 HG2 MET 98 6.972 -2.178 -0.998 702 2HG MET 98 HG1 MET 98 6.680 -1.897 -2.712 703 1HE MET 98 HE1 MET 98 6.332 -5.344 -1.415 704 2HE MET 98 HE2 MET 98 6.328 -5.400 -3.177 705 3HE MET 98 HE3 MET 98 5.580 -4.041 -2.336 706 H ILE 99 HN ILE 99 6.147 -0.644 -0.088 707 HA ILE 99 HA ILE 99 4.356 0.628 -1.904 708 HB ILE 99 HB ILE 99 2.594 0.033 -0.275 709 1HG1 ILE 99 HG12 ILE 99 3.792 -1.619 1.560 710 2HG1 ILE 99 HG11 ILE 99 4.942 -0.289 1.464 711 1HG2 ILE 99 HG21 ILE 99 2.823 -2.376 -0.475 712 2HG2 ILE 99 HG22 ILE 99 4.547 -2.202 -0.803 713 3HG2 ILE 99 HG23 ILE 99 3.364 -1.582 -1.954 714 1HD1 ILE 99 HD11 ILE 99 2.511 0.986 1.644 715 2HD1 ILE 99 HD12 ILE 99 3.657 0.728 2.959 716 3HD1 ILE 99 HD13 ILE 99 2.331 -0.407 2.711 717 H SER 100 HN SER 100 5.776 1.503 1.180 718 HA SER 100 HA SER 100 4.112 3.667 1.828 719 1HB SER 100 HB2 SER 100 6.638 2.581 2.744 720 2HB SER 100 HB1 SER 100 6.683 4.344 2.731 721 HG SER 100 HG SER 100 4.539 2.892 3.869 722 H ARG 101 HN ARG 101 6.839 3.361 -0.339 723 HA ARG 101 HA ARG 101 7.135 6.174 -0.803 724 1HB ARG 101 HB2 ARG 101 8.112 3.901 -2.536 725 2HB ARG 101 HB1 ARG 101 8.719 5.551 -2.508 726 1HG ARG 101 HG2 ARG 101 9.618 5.239 -0.301 727 2HG ARG 101 HG1 ARG 101 8.888 3.636 -0.191 728 1HD ARG 101 HD2 ARG 101 10.265 3.155 -2.344 729 2HD ARG 101 HD1 ARG 101 11.211 4.555 -1.838 730 HE ARG 101 HE ARG 101 11.191 1.944 -0.633 731 1HH1 ARG 101 HH11 ARG 101 11.848 5.332 -0.115 732 2HH1 ARG 101 HH12 ARG 101 12.948 5.046 1.192 733 1HH2 ARG 101 HH21 ARG 101 12.636 1.567 1.086 734 2HH2 ARG 101 HH22 ARG 101 13.396 2.909 1.873 735 H ASN 102 HN ASN 102 5.090 3.683 -2.022 736 HA ASN 102 HA ASN 102 4.486 4.967 -4.520 737 1HB ASN 102 HB2 ASN 102 2.857 2.837 -3.134 738 2HB ASN 102 HB1 ASN 102 2.877 3.224 -4.849 739 1HD2 ASN 102 HD21 ASN 102 5.924 3.528 -4.533 740 2HD2 ASN 102 HD22 ASN 102 6.490 1.901 -4.617 741 H LEU 103 HN LEU 103 3.748 5.836 -1.435 742 HA LEU 103 HA LEU 103 1.028 6.728 -2.044 743 1HB LEU 103 HB2 LEU 103 2.302 7.292 0.581 744 2HB LEU 103 HB1 LEU 103 0.640 6.878 0.210 745 HG LEU 103 HG LEU 103 2.971 4.961 0.289 746 1HD1 LEU 103 HD11 LEU 103 1.771 5.977 2.426 747 2HD1 LEU 103 HD12 LEU 103 2.279 4.290 2.345 748 3HD1 LEU 103 HD13 LEU 103 0.596 4.720 2.042 749 1HD2 LEU 103 HD21 LEU 103 1.124 3.250 0.070 750 2HD2 LEU 103 HD22 LEU 103 1.505 4.170 -1.386 751 3HD2 LEU 103 HD23 LEU 103 0.078 4.578 -0.434 752 H VAL 104 HN VAL 104 0.467 8.834 -2.262 753 HA VAL 104 HA VAL 104 2.645 10.732 -2.592 754 HB VAL 104 HB VAL 104 0.899 12.248 -3.514 755 1HG1 VAL 104 HG11 VAL 104 0.747 9.584 -4.886 756 2HG1 VAL 104 HG12 VAL 104 2.242 10.518 -4.833 757 3HG1 VAL 104 HG13 VAL 104 0.806 11.196 -5.600 758 1HG2 VAL 104 HG21 VAL 104 -1.311 11.246 -4.070 759 2HG2 VAL 104 HG22 VAL 104 -1.060 11.494 -2.343 760 3HG2 VAL 104 HG23 VAL 104 -0.906 9.879 -3.034 761 H SER 105 HN SER 105 -0.420 10.554 -0.776 762 HA SER 105 HA SER 105 0.552 12.743 0.927 763 1HB SER 105 HB2 SER 105 -1.821 12.611 -0.363 764 2HB SER 105 HB1 SER 105 -2.264 11.860 1.170 765 HG SER 105 HG SER 105 -2.105 13.731 2.121 766 H ALA 106 HN ALA 106 1.110 12.333 2.963 767 HA ALA 106 HA ALA 106 0.343 9.730 4.116 768 1HB ALA 106 HB1 ALA 106 2.443 10.413 5.626 769 2HB ALA 106 HB2 ALA 106 2.875 11.258 4.139 770 3HB ALA 106 HB3 ALA 106 2.599 9.517 4.115 771 H ASN 107 HN ASN 107 -1.292 10.004 5.504 772 HA ASN 107 HA ASN 107 -2.018 12.394 6.746 773 1HB ASN 107 HB2 ASN 107 -3.326 10.159 6.458 774 2HB ASN 107 HB1 ASN 107 -2.614 9.739 8.012 775 1HD2 ASN 107 HD21 ASN 107 -4.823 11.826 6.337 776 2HD2 ASN 107 HD22 ASN 107 -5.612 12.455 7.739 777 H VAL 108 HN VAL 108 -0.547 13.487 7.929 778 HA VAL 108 HA VAL 108 1.375 12.309 9.604 779 HB VAL 108 HB VAL 108 1.282 14.762 10.661 780 1HG1 VAL 108 HG11 VAL 108 3.129 13.742 9.464 781 2HG1 VAL 108 HG12 VAL 108 2.891 15.418 8.956 782 3HG1 VAL 108 HG13 VAL 108 2.336 14.095 7.926 783 1HG2 VAL 108 HG21 VAL 108 0.332 16.404 9.370 784 2HG2 VAL 108 HG22 VAL 108 -0.846 15.109 9.157 785 3HG2 VAL 108 HG23 VAL 108 0.357 15.422 7.905 786 H LYS 109 HN LYS 109 1.550 12.315 11.872 787 HA LYS 109 HA LYS 109 -0.875 11.596 13.209 788 1HB LYS 109 HB2 LYS 109 0.662 11.417 15.225 789 2HB LYS 109 HB1 LYS 109 1.038 10.377 13.858 790 1HG LYS 109 HG2 LYS 109 2.972 11.456 13.387 791 2HG LYS 109 HG1 LYS 109 2.373 13.015 13.956 792 1HD LYS 109 HD2 LYS 109 4.119 12.188 15.432 793 2HD LYS 109 HD1 LYS 109 2.569 12.229 16.275 794 1HE LYS 109 HE2 LYS 109 2.355 9.924 16.266 795 2HE LYS 109 HE1 LYS 109 3.459 9.726 14.905 796 1HZ LYS 109 HZ1 LYS 109 4.593 10.871 17.326 797 2HZ LYS 109 HZ2 LYS 109 5.255 9.752 16.243 798 3HZ LYS 109 HZ3 LYS 109 4.148 9.241 17.415 799 H GLU 110 HN GLU 110 -2.045 12.701 14.707 800 HA GLU 110 HA GLU 110 -1.833 15.547 14.717 801 1HB GLU 110 HB2 GLU 110 -3.560 13.743 16.423 802 2HB GLU 110 HB1 GLU 110 -3.766 15.478 16.224 803 1HG GLU 110 HG2 GLU 110 -4.546 15.272 14.060 804 2HG GLU 110 HG1 GLU 110 -3.816 13.683 13.840 805 H SER 111 HN SER 111 0.199 16.013 15.608 806 HA SER 111 HA SER 111 0.550 15.339 18.447 807 1HB SER 111 HB2 SER 111 2.937 16.334 17.858 808 2HB SER 111 HB1 SER 111 2.522 14.667 17.460 809 HG SER 111 HG SER 111 2.415 16.909 15.722 810 H SER 112 HN SER 112 0.947 16.924 19.975 811 HA SER 112 HA SER 112 0.270 19.658 19.123 812 1HB SER 112 HB2 SER 112 -1.305 18.643 20.727 813 2HB SER 112 HB1 SER 112 0.019 18.397 21.866 814 HG SER 112 HG SER 112 -1.264 20.334 22.207 815 H GLU 113 HN GLU 113 2.141 20.698 18.749 816 HA GLU 113 HA GLU 113 4.563 20.212 20.125 817 1HB GLU 113 HB2 GLU 113 3.728 22.649 18.540 818 2HB GLU 113 HB1 GLU 113 5.375 22.244 19.006 819 1HG GLU 113 HG2 GLU 113 5.313 20.257 17.631 820 2HG GLU 113 HG1 GLU 113 3.627 20.568 17.219 821 H ASP 114 HN ASP 114 5.752 22.166 21.176 822 HA ASP 114 HA ASP 114 4.075 23.028 23.405 823 1HB ASP 114 HB2 ASP 114 6.265 23.678 24.442 824 2HB ASP 114 HB1 ASP 114 6.131 21.966 24.051 825 H ILE 115 HN ILE 115 4.193 25.227 24.197 826 HA ILE 115 HA ILE 115 4.610 27.167 22.045 827 HB ILE 115 HB ILE 115 2.838 27.512 24.464 828 1HG1 ILE 115 HG12 ILE 115 2.078 26.729 21.641 829 2HG1 ILE 115 HG11 ILE 115 1.996 25.684 23.055 830 1HG2 ILE 115 HG21 ILE 115 3.485 29.620 23.613 831 2HG2 ILE 115 HG22 ILE 115 1.858 29.322 23.001 832 3HG2 ILE 115 HG23 ILE 115 3.253 29.099 21.944 833 1HD1 ILE 115 HD11 ILE 115 0.494 27.779 23.876 834 2HD1 ILE 115 HD12 ILE 115 -0.144 26.327 23.102 835 3HD1 ILE 115 HD13 ILE 115 0.163 27.776 22.143 836 H PHE 116 HN PHE 116 6.582 27.894 22.353 837 HA PHE 116 HA PHE 116 7.495 28.627 25.034 838 1HB PHE 116 HB2 PHE 116 8.782 27.533 22.747 839 2HB PHE 116 HB1 PHE 116 9.493 29.116 23.044 840 HD1 PHE 116 HD1 PHE 116 9.694 25.724 23.817 841 HD2 PHE 116 HD2 PHE 116 10.064 29.574 25.594 842 HE1 PHE 116 HE1 PHE 116 11.076 24.760 25.609 843 HE2 PHE 116 HE2 PHE 116 11.448 28.616 27.389 844 HZ PHE 116 HZ PHE 116 11.956 26.206 27.398 845 H GLY 117 HN GLY 117 5.484 30.195 23.617 846 1HA GLY 117 HA2 GLY 117 5.319 32.588 24.058 847 2HA GLY 117 HA1 GLY 117 6.971 32.743 23.480 848 H ASN 118 HN ASN 118 4.528 30.770 21.917 849 HA ASN 118 HA ASN 118 4.616 32.615 19.623 850 1HB ASN 118 HB2 ASN 118 5.377 30.017 19.622 851 2HB ASN 118 HB1 ASN 118 3.677 29.842 19.195 852 1HD2 ASN 118 HD21 ASN 118 5.285 29.010 17.341 853 2HD2 ASN 118 HD22 ASN 118 5.444 30.133 16.038 854 H VAL 119 HN VAL 119 2.872 33.906 20.039 855 HA VAL 119 HA VAL 119 0.252 32.579 19.941 856 HB VAL 119 HB VAL 119 -0.607 34.407 21.474 857 1HG1 VAL 119 HG11 VAL 119 -0.482 32.975 23.214 858 2HG1 VAL 119 HG12 VAL 119 1.272 32.827 23.106 859 3HG1 VAL 119 HG13 VAL 119 0.240 31.908 22.009 860 1HG2 VAL 119 HG21 VAL 119 1.287 35.920 21.331 861 2HG2 VAL 119 HG22 VAL 119 2.339 34.703 22.054 862 3HG2 VAL 119 HG23 VAL 119 1.035 35.416 23.002 863 H30 IMY 120 1H30 IMY 120 3.160 -18.356 3.122 864 1H30 IMY 120 2H30 IMY 120 4.790 -17.827 2.547 865 2H30 IMY 120 3H30 IMY 120 4.047 -19.301 1.916 866 H26 IMY 120 H26 IMY 120 3.402 -16.036 3.481 867 H25 IMY 120 H25 IMY 120 2.203 -13.958 3.821 868 H31 IMY 120 H31 IMY 120 -0.057 -15.637 -1.752 869 1H32 IMY 120 1H32 IMY 120 -0.051 -12.647 -2.530 870 2H32 IMY 120 2H32 IMY 120 -0.402 -14.005 -3.611 871 3H32 IMY 120 3H32 IMY 120 -1.526 -13.568 -2.311 872 1H33 IMY 120 1H33 IMY 120 2.316 -15.270 -1.333 873 2H33 IMY 120 2H33 IMY 120 1.934 -14.873 -3.016 874 3H33 IMY 120 3H33 IMY 120 2.198 -13.585 -1.816 875 H28 IMY 120 H28 IMY 120 1.613 -16.514 -0.372 876 H4 IMY 120 H4 IMY 120 -0.340 -10.928 4.040 877 H3 IMY 120 H3 IMY 120 -1.426 -10.243 2.082 878 H18 IMY 120 H18 IMY 120 1.778 -11.179 0.199 879 H17 IMY 120 H17 IMY 120 2.872 -9.667 -1.365 880 H15 IMY 120 H15 IMY 120 0.057 -6.596 -0.501 881 H14 IMY 120 H14 IMY 120 -1.087 -8.060 1.119 882 H20 IMY 120 H20 IMY 120 -0.330 -8.790 5.123 883 H21 IMY 120 H21 IMY 120 0.967 -6.900 5.967 884 H23 IMY 120 H23 IMY 120 4.223 -7.931 3.357 885 H24 IMY 120 H24 IMY 120 3.014 -9.910 2.604 Start of MODEL 8 1 1H ASN 13 HT1 ASN 13 -30.458 18.159 5.882 2 2H ASN 13 HT2 ASN 13 -30.791 16.489 6.097 3 3H ASN 13 HT3 ASN 13 -32.076 17.626 6.073 4 HA ASN 13 HA ASN 13 -32.135 16.637 4.022 5 1HB ASN 13 HB2 ASN 13 -30.511 19.183 3.785 6 2HB ASN 13 HB1 ASN 13 -31.535 18.493 2.529 7 1HD2 ASN 13 HD21 ASN 13 -33.099 19.953 2.315 8 2HD2 ASN 13 HD22 ASN 13 -34.123 20.510 3.591 9 H HIS 14 HN HIS 14 -28.874 18.082 4.083 10 HA HIS 14 HA HIS 14 -27.899 15.716 2.633 11 1HB HIS 14 HB2 HIS 14 -27.516 18.527 2.231 12 2HB HIS 14 HB1 HIS 14 -25.958 17.788 2.582 13 HD1 HIS 14 HD1 HIS 14 -27.663 18.767 -0.221 14 HD2 HIS 14 HD2 HIS 14 -26.029 15.108 0.878 15 HE1 HIS 14 HE1 HIS 14 -27.317 17.512 -2.373 16 HE2 HIS 14 HE2 HIS 14 -26.409 15.267 -1.675 17 H ILE 15 HN ILE 15 -25.820 14.856 3.183 18 HA ILE 15 HA ILE 15 -25.405 14.705 6.007 19 HB ILE 15 HB ILE 15 -23.595 13.632 3.843 20 1HG1 ILE 15 HG12 ILE 15 -25.043 11.491 4.666 21 2HG1 ILE 15 HG11 ILE 15 -26.257 12.760 4.790 22 1HG2 ILE 15 HG21 ILE 15 -23.965 12.224 6.405 23 2HG2 ILE 15 HG22 ILE 15 -23.105 13.761 6.484 24 3HG2 ILE 15 HG23 ILE 15 -22.509 12.470 5.442 25 1HD1 ILE 15 HD11 ILE 15 -25.179 11.446 2.453 26 2HD1 ILE 15 HD12 ILE 15 -25.090 13.203 2.329 27 3HD1 ILE 15 HD13 ILE 15 -26.639 12.418 2.634 28 H SER 16 HN SER 16 -23.009 15.454 3.470 29 HA SER 16 HA SER 16 -22.217 17.943 4.428 30 1HB SER 16 HB2 SER 16 -21.495 16.104 6.292 31 2HB SER 16 HB1 SER 16 -20.055 16.112 5.275 32 HG SER 16 HG SER 16 -21.175 18.181 6.801 33 H THR 17 HN THR 17 -19.543 18.033 3.930 34 HA THR 17 HA THR 17 -19.387 17.096 1.143 35 HB THR 17 HB THR 17 -19.371 19.457 1.114 36 HG1 THR 17 HG1 THR 17 -17.622 18.458 -0.054 37 1HG2 THR 17 HG21 THR 17 -18.976 19.883 3.486 38 2HG2 THR 17 HG22 THR 17 -17.929 20.860 2.456 39 3HG2 THR 17 HG23 THR 17 -17.281 19.440 3.278 40 H SER 18 HN SER 18 -17.479 17.631 4.083 41 HA SER 18 HA SER 18 -15.479 15.732 3.048 42 1HB SER 18 HB2 SER 18 -15.262 18.195 4.698 43 2HB SER 18 HB1 SER 18 -14.172 16.869 5.102 44 HG SER 18 HG SER 18 -13.123 17.170 3.289 45 H ASP 19 HN ASP 19 -16.074 13.774 3.783 46 HA ASP 19 HA ASP 19 -16.731 13.518 6.643 47 1HB ASP 19 HB2 ASP 19 -18.518 12.819 5.053 48 2HB ASP 19 HB1 ASP 19 -17.422 11.601 4.407 49 H GLN 20 HN GLN 20 -14.765 12.289 4.011 50 HA GLN 20 HA GLN 20 -13.541 10.234 5.620 51 1HB GLN 20 HB2 GLN 20 -12.522 11.271 2.981 52 2HB GLN 20 HB1 GLN 20 -12.273 9.682 3.692 53 1HG GLN 20 HG2 GLN 20 -13.919 9.020 2.351 54 2HG GLN 20 HG1 GLN 20 -14.994 9.806 3.506 55 1HE2 GLN 20 HE21 GLN 20 -13.442 10.043 0.407 56 2HE2 GLN 20 HE22 GLN 20 -14.389 11.356 -0.196 57 H GLU 21 HN GLU 21 -11.090 10.154 5.723 58 HA GLU 21 HA GLU 21 -10.165 12.673 6.862 59 1HB GLU 21 HB2 GLU 21 -8.805 9.975 6.897 60 2HB GLU 21 HB1 GLU 21 -8.397 11.374 7.881 61 1HG GLU 21 HG2 GLU 21 -10.785 11.174 8.795 62 2HG GLU 21 HG1 GLU 21 -10.767 9.559 8.087 63 H LYS 22 HN LYS 22 -7.442 12.468 6.584 64 HA LYS 22 HA LYS 22 -6.979 13.621 4.088 65 1HB LYS 22 HB2 LYS 22 -4.511 13.036 4.634 66 2HB LYS 22 HB1 LYS 22 -5.372 14.159 5.675 67 1HG LYS 22 HG2 LYS 22 -5.535 11.330 6.462 68 2HG LYS 22 HG1 LYS 22 -3.933 12.065 6.565 69 1HD LYS 22 HD2 LYS 22 -4.531 13.447 8.257 70 2HD LYS 22 HD1 LYS 22 -6.168 13.667 7.634 71 1HE LYS 22 HE2 LYS 22 -6.363 11.114 8.340 72 2HE LYS 22 HE1 LYS 22 -5.083 11.588 9.457 73 1HZ LYS 22 HZ1 LYS 22 -7.366 13.377 9.315 74 2HZ LYS 22 HZ2 LYS 22 -6.481 12.854 10.658 75 3HZ LYS 22 HZ3 LYS 22 -7.672 11.856 9.990 76 H LEU 23 HN LEU 23 -6.903 12.751 2.126 77 HA LEU 23 HA LEU 23 -6.370 9.872 1.893 78 1HB LEU 23 HB2 LEU 23 -7.464 11.508 -0.353 79 2HB LEU 23 HB1 LEU 23 -7.689 9.804 -0.009 80 HG LEU 23 HG LEU 23 -8.892 11.059 2.150 81 1HD1 LEU 23 HD11 LEU 23 -8.608 13.103 0.450 82 2HD1 LEU 23 HD12 LEU 23 -9.996 12.931 1.524 83 3HD1 LEU 23 HD13 LEU 23 -10.118 12.429 -0.162 84 1HD2 LEU 23 HD21 LEU 23 -10.646 10.455 -0.126 85 2HD2 LEU 23 HD22 LEU 23 -10.650 9.812 1.516 86 3HD2 LEU 23 HD23 LEU 23 -9.529 9.165 0.319 87 H VAL 24 HN VAL 24 -4.995 9.078 0.264 88 HA VAL 24 HA VAL 24 -2.942 11.007 -0.573 89 HB VAL 24 HB VAL 24 -1.493 9.020 -0.940 90 1HG1 VAL 24 HG11 VAL 24 -2.589 9.066 1.862 91 2HG1 VAL 24 HG12 VAL 24 -1.563 10.339 1.200 92 3HG1 VAL 24 HG13 VAL 24 -0.944 8.694 1.345 93 1HG2 VAL 24 HG21 VAL 24 -3.509 7.396 0.569 94 2HG2 VAL 24 HG22 VAL 24 -2.120 6.851 -0.371 95 3HG2 VAL 24 HG23 VAL 24 -3.547 7.485 -1.192 96 H GLN 25 HN GLN 25 -1.873 10.441 -2.714 97 HA GLN 25 HA GLN 25 -3.965 9.656 -4.634 98 1HB GLN 25 HB2 GLN 25 -3.275 12.061 -4.668 99 2HB GLN 25 HB1 GLN 25 -1.661 11.542 -5.128 100 1HG GLN 25 HG2 GLN 25 -2.318 11.695 -7.235 101 2HG GLN 25 HG1 GLN 25 -3.326 10.278 -6.944 102 1HE2 GLN 25 HE21 GLN 25 -3.248 13.679 -7.439 103 2HE2 GLN 25 HE22 GLN 25 -4.956 13.933 -7.489 104 HA PRO 26 HA PRO 26 -0.823 6.377 -5.205 105 1HB PRO 26 HB2 PRO 26 -3.085 5.084 -6.588 106 2HB PRO 26 HB1 PRO 26 -2.093 4.481 -5.258 107 1HG PRO 26 HG2 PRO 26 -4.633 5.230 -4.871 108 2HG PRO 26 HG1 PRO 26 -3.385 5.532 -3.647 109 1HD PRO 26 HD2 PRO 26 -4.573 7.425 -5.649 110 2HD PRO 26 HD1 PRO 26 -4.196 7.693 -3.933 111 H THR 27 HN THR 27 0.537 6.324 -6.896 112 HA THR 27 HA THR 27 0.214 7.795 -9.221 113 HB THR 27 HB THR 27 2.144 6.608 -10.088 114 HG1 THR 27 HG1 THR 27 1.626 4.496 -9.627 115 1HG2 THR 27 HG21 THR 27 3.074 6.403 -7.375 116 2HG2 THR 27 HG22 THR 27 2.142 7.880 -7.621 117 3HG2 THR 27 HG23 THR 27 3.537 7.535 -8.645 118 HA PRO 28 HA PRO 28 -2.351 5.758 -12.153 119 1HB PRO 28 HB2 PRO 28 0.094 5.346 -13.829 120 2HB PRO 28 HB1 PRO 28 -1.487 5.989 -14.288 121 1HG PRO 28 HG2 PRO 28 0.577 7.623 -13.898 122 2HG PRO 28 HG1 PRO 28 -1.054 8.075 -13.369 123 1HD PRO 28 HD2 PRO 28 1.285 7.196 -11.757 124 2HD PRO 28 HD1 PRO 28 -0.036 8.299 -11.325 125 H LEU 29 HN LEU 29 0.776 4.204 -11.541 126 HA LEU 29 HA LEU 29 -0.012 1.620 -12.421 127 1HB LEU 29 HB2 LEU 29 2.342 2.339 -12.226 128 2HB LEU 29 HB1 LEU 29 2.171 2.397 -10.483 129 HG LEU 29 HG LEU 29 1.942 0.025 -10.336 130 1HD1 LEU 29 HD11 LEU 29 2.306 -1.123 -12.764 131 2HD1 LEU 29 HD12 LEU 29 1.299 0.261 -13.190 132 3HD1 LEU 29 HD13 LEU 29 0.738 -0.902 -11.989 133 1HD2 LEU 29 HD21 LEU 29 4.200 0.442 -10.381 134 2HD2 LEU 29 HD22 LEU 29 4.165 1.057 -12.033 135 3HD2 LEU 29 HD23 LEU 29 4.040 -0.677 -11.734 136 H LEU 30 HN LEU 30 0.595 2.811 -9.107 137 HA LEU 30 HA LEU 30 -0.488 0.642 -7.752 138 1HB LEU 30 HB2 LEU 30 0.843 2.536 -6.770 139 2HB LEU 30 HB1 LEU 30 -0.610 3.515 -6.838 140 HG LEU 30 HG LEU 30 -1.692 2.226 -5.180 141 1HD1 LEU 30 HD11 LEU 30 -1.431 0.005 -5.489 142 2HD1 LEU 30 HD12 LEU 30 -0.180 0.208 -4.262 143 3HD1 LEU 30 HD13 LEU 30 0.259 0.158 -5.969 144 1HD2 LEU 30 HD21 LEU 30 0.440 1.957 -3.502 145 2HD2 LEU 30 HD22 LEU 30 -0.424 3.464 -3.808 146 3HD2 LEU 30 HD23 LEU 30 1.059 3.104 -4.692 147 H LEU 31 HN LEU 31 -2.032 3.480 -9.110 148 HA LEU 31 HA LEU 31 -4.542 3.392 -7.997 149 1HB LEU 31 HB2 LEU 31 -3.332 4.476 -10.392 150 2HB LEU 31 HB1 LEU 31 -4.978 3.959 -10.704 151 HG LEU 31 HG LEU 31 -4.098 5.938 -8.603 152 1HD1 LEU 31 HD11 LEU 31 -5.210 6.158 -11.341 153 2HD1 LEU 31 HD12 LEU 31 -4.075 7.204 -10.488 154 3HD1 LEU 31 HD13 LEU 31 -5.799 7.292 -10.124 155 1HD2 LEU 31 HD21 LEU 31 -6.943 5.731 -9.177 156 2HD2 LEU 31 HD22 LEU 31 -6.101 5.802 -7.629 157 3HD2 LEU 31 HD23 LEU 31 -6.276 4.261 -8.468 158 H SER 32 HN SER 32 -3.796 1.963 -11.182 159 HA SER 32 HA SER 32 -6.095 0.562 -11.618 160 1HB SER 32 HB2 SER 32 -3.258 0.146 -12.428 161 2HB SER 32 HB1 SER 32 -4.382 -1.183 -12.710 162 HG SER 32 HG SER 32 -4.141 0.476 -14.424 163 H LEU 33 HN LEU 33 -3.313 -0.559 -9.676 164 HA LEU 33 HA LEU 33 -4.169 -3.157 -9.190 165 1HB LEU 33 HB2 LEU 33 -3.047 -1.711 -6.860 166 2HB LEU 33 HB1 LEU 33 -2.619 -3.272 -7.517 167 HG LEU 33 HG LEU 33 -1.737 -0.577 -8.537 168 1HD1 LEU 33 HD11 LEU 33 0.412 -1.175 -7.836 169 2HD1 LEU 33 HD12 LEU 33 -0.024 -2.873 -7.651 170 3HD1 LEU 33 HD13 LEU 33 -0.635 -1.677 -6.508 171 1HD2 LEU 33 HD21 LEU 33 -1.705 -3.266 -9.809 172 2HD2 LEU 33 HD22 LEU 33 -0.315 -2.206 -10.041 173 3HD2 LEU 33 HD23 LEU 33 -1.921 -1.673 -10.535 174 H LEU 34 HN LEU 34 -5.235 -0.128 -7.826 175 HA LEU 34 HA LEU 34 -6.927 -1.314 -5.824 176 1HB LEU 34 HB2 LEU 34 -7.151 1.485 -6.924 177 2HB LEU 34 HB1 LEU 34 -7.657 0.906 -5.351 178 HG LEU 34 HG LEU 34 -4.780 1.100 -6.239 179 1HD1 LEU 34 HD11 LEU 34 -6.617 3.054 -5.002 180 2HD1 LEU 34 HD12 LEU 34 -5.207 3.310 -6.030 181 3HD1 LEU 34 HD13 LEU 34 -4.996 2.942 -4.318 182 1HD2 LEU 34 HD21 LEU 34 -4.739 -0.459 -4.558 183 2HD2 LEU 34 HD22 LEU 34 -6.155 0.215 -3.751 184 3HD2 LEU 34 HD23 LEU 34 -4.597 1.030 -3.624 185 H LYS 35 HN LYS 35 -7.220 -0.109 -9.097 186 HA LYS 35 HA LYS 35 -9.981 -0.012 -9.391 187 1HB LYS 35 HB2 LYS 35 -7.675 -0.427 -11.232 188 2HB LYS 35 HB1 LYS 35 -9.275 -0.782 -11.850 189 1HG LYS 35 HG2 LYS 35 -8.658 1.463 -12.431 190 2HG LYS 35 HG1 LYS 35 -9.979 1.498 -11.266 191 1HD LYS 35 HD2 LYS 35 -8.585 2.197 -9.525 192 2HD LYS 35 HD1 LYS 35 -7.125 1.701 -10.382 193 1HE LYS 35 HE2 LYS 35 -8.926 3.894 -11.376 194 2HE LYS 35 HE1 LYS 35 -7.586 4.194 -10.269 195 1HZ LYS 35 HZ1 LYS 35 -6.194 2.977 -12.016 196 2HZ LYS 35 HZ2 LYS 35 -6.681 4.561 -12.356 197 3HZ LYS 35 HZ3 LYS 35 -7.492 3.257 -13.066 198 H SER 36 HN SER 36 -7.763 -2.738 -9.554 199 HA SER 36 HA SER 36 -9.915 -4.578 -10.230 200 1HB SER 36 HB2 SER 36 -7.256 -4.557 -10.879 201 2HB SER 36 HB1 SER 36 -7.285 -5.710 -9.545 202 HG SER 36 HG SER 36 -8.066 -6.066 -12.073 203 H ALA 37 HN ALA 37 -8.203 -3.441 -7.463 204 HA ALA 37 HA ALA 37 -8.825 -5.714 -5.800 205 1HB ALA 37 HB1 ALA 37 -7.898 -4.302 -3.975 206 2HB ALA 37 HB2 ALA 37 -7.684 -3.002 -5.146 207 3HB ALA 37 HB3 ALA 37 -6.801 -4.516 -5.338 208 H GLY 38 HN GLY 38 -10.769 -3.412 -7.057 209 1HA GLY 38 HA2 GLY 38 -13.073 -3.295 -6.441 210 2HA GLY 38 HA1 GLY 38 -12.609 -3.608 -4.775 211 H ALA 39 HN ALA 39 -11.135 -1.275 -6.962 212 HA ALA 39 HA ALA 39 -12.057 0.862 -5.162 213 1HB ALA 39 HB1 ALA 39 -9.516 0.191 -5.466 214 2HB ALA 39 HB2 ALA 39 -10.014 1.864 -5.244 215 3HB ALA 39 HB3 ALA 39 -9.654 1.261 -6.861 216 H GLN 40 HN GLN 40 -12.754 2.873 -6.121 217 HA GLN 40 HA GLN 40 -13.246 2.705 -9.019 218 1HB GLN 40 HB2 GLN 40 -14.980 3.672 -6.773 219 2HB GLN 40 HB1 GLN 40 -15.198 4.321 -8.392 220 1HG GLN 40 HG2 GLN 40 -15.266 1.385 -7.750 221 2HG GLN 40 HG1 GLN 40 -16.696 2.415 -7.798 222 1HE2 GLN 40 HE21 GLN 40 -17.459 0.988 -9.457 223 2HE2 GLN 40 HE22 GLN 40 -16.919 1.188 -11.085 224 H LYS 41 HN LYS 41 -13.240 5.188 -6.451 225 HA LYS 41 HA LYS 41 -12.632 7.350 -8.088 226 1HB LYS 41 HB2 LYS 41 -11.797 8.441 -5.984 227 2HB LYS 41 HB1 LYS 41 -13.413 7.760 -5.871 228 1HG LYS 41 HG2 LYS 41 -11.318 5.896 -5.080 229 2HG LYS 41 HG1 LYS 41 -11.374 7.357 -4.094 230 1HD LYS 41 HD2 LYS 41 -13.920 6.903 -3.992 231 2HD LYS 41 HD1 LYS 41 -13.485 5.272 -4.506 232 1HE LYS 41 HE2 LYS 41 -11.703 5.701 -2.495 233 2HE LYS 41 HE1 LYS 41 -13.103 6.605 -1.920 234 1HZ LYS 41 HZ1 LYS 41 -13.141 3.759 -2.768 235 2HZ LYS 41 HZ2 LYS 41 -14.452 4.631 -2.150 236 3HZ LYS 41 HZ3 LYS 41 -13.119 4.298 -1.164 237 H GLU 42 HN GLU 42 -10.494 8.696 -7.545 238 HA GLU 42 HA GLU 42 -8.291 6.969 -8.418 239 1HB GLU 42 HB2 GLU 42 -8.497 9.982 -8.520 240 2HB GLU 42 HB1 GLU 42 -7.240 8.996 -9.254 241 1HG GLU 42 HG2 GLU 42 -10.144 8.780 -9.993 242 2HG GLU 42 HG1 GLU 42 -9.010 9.855 -10.810 243 H THR 43 HN THR 43 -9.291 9.069 -5.833 244 HA THR 43 HA THR 43 -6.624 8.891 -4.614 245 HB THR 43 HB THR 43 -8.687 10.493 -3.253 246 HG1 THR 43 HG1 THR 43 -8.514 12.176 -4.802 247 1HG2 THR 43 HG21 THR 43 -6.580 10.861 -2.401 248 2HG2 THR 43 HG22 THR 43 -6.791 12.219 -3.507 249 3HG2 THR 43 HG23 THR 43 -5.818 10.830 -3.991 250 H PHE 44 HN PHE 44 -6.383 8.183 -2.451 251 HA PHE 44 HA PHE 44 -8.653 6.993 -1.095 252 1HB PHE 44 HB2 PHE 44 -6.314 5.284 -1.964 253 2HB PHE 44 HB1 PHE 44 -7.660 4.758 -0.964 254 HD1 PHE 44 HD1 PHE 44 -6.671 5.811 -4.346 255 HD2 PHE 44 HD2 PHE 44 -9.731 4.123 -1.918 256 HE1 PHE 44 HE1 PHE 44 -7.891 5.124 -6.370 257 HE2 PHE 44 HE2 PHE 44 -10.959 3.441 -3.940 258 HZ PHE 44 HZ PHE 44 -10.039 3.943 -6.167 259 H THR 45 HN THR 45 -8.268 6.550 1.093 260 HA THR 45 HA THR 45 -6.087 8.030 2.252 261 HB THR 45 HB THR 45 -7.094 7.152 4.426 262 HG1 THR 45 HG1 THR 45 -9.198 6.264 4.188 263 1HG2 THR 45 HG21 THR 45 -8.780 8.721 4.504 264 2HG2 THR 45 HG22 THR 45 -9.226 8.479 2.815 265 3HG2 THR 45 HG23 THR 45 -7.742 9.339 3.220 266 H MET 46 HN MET 46 -4.449 7.145 3.607 267 HA MET 46 HA MET 46 -3.075 4.999 2.630 268 1HB MET 46 HB2 MET 46 -2.825 6.731 4.846 269 2HB MET 46 HB1 MET 46 -2.617 5.095 5.459 270 1HG MET 46 HG2 MET 46 -1.094 5.015 3.219 271 2HG MET 46 HG1 MET 46 -0.892 6.693 3.713 272 1HE MET 46 HE1 MET 46 -0.403 3.210 4.044 273 2HE MET 46 HE2 MET 46 -0.113 2.852 5.746 274 3HE MET 46 HE3 MET 46 1.242 3.220 4.681 275 H LYS 47 HN LYS 47 -5.761 4.930 4.850 276 HA LYS 47 HA LYS 47 -5.374 2.244 5.731 277 1HB LYS 47 HB2 LYS 47 -6.957 4.280 6.570 278 2HB LYS 47 HB1 LYS 47 -8.129 3.327 5.671 279 1HG LYS 47 HG2 LYS 47 -8.210 2.644 7.949 280 2HG LYS 47 HG1 LYS 47 -7.458 1.346 7.019 281 1HD LYS 47 HD2 LYS 47 -6.168 1.584 8.991 282 2HD LYS 47 HD1 LYS 47 -5.228 2.326 7.695 283 1HE LYS 47 HE2 LYS 47 -6.221 4.534 8.398 284 2HE LYS 47 HE1 LYS 47 -6.860 3.704 9.816 285 1HZ LYS 47 HZ1 LYS 47 -4.654 3.174 10.520 286 2HZ LYS 47 HZ2 LYS 47 -4.715 4.835 10.205 287 3HZ LYS 47 HZ3 LYS 47 -3.982 3.790 9.094 288 H GLU 48 HN GLU 48 -7.366 3.757 3.214 289 HA GLU 48 HA GLU 48 -8.531 1.318 2.320 290 1HB GLU 48 HB2 GLU 48 -8.175 3.809 0.662 291 2HB GLU 48 HB1 GLU 48 -9.410 2.571 0.495 292 1HG GLU 48 HG2 GLU 48 -9.482 3.744 3.124 293 2HG GLU 48 HG1 GLU 48 -9.608 4.979 1.872 294 H VAL 49 HN VAL 49 -5.827 3.313 1.177 295 HA VAL 49 HA VAL 49 -5.094 1.883 -1.078 296 HB VAL 49 HB VAL 49 -3.067 3.029 0.837 297 1HG1 VAL 49 HG11 VAL 49 -3.138 2.768 -2.165 298 2HG1 VAL 49 HG12 VAL 49 -2.148 1.829 -1.049 299 3HG1 VAL 49 HG13 VAL 49 -1.858 3.557 -1.243 300 1HG2 VAL 49 HG21 VAL 49 -3.963 5.052 0.645 301 2HG2 VAL 49 HG22 VAL 49 -5.258 4.411 -0.368 302 3HG2 VAL 49 HG23 VAL 49 -3.754 4.964 -1.104 303 H LEU 50 HN LEU 50 -3.931 1.450 2.249 304 HA LEU 50 HA LEU 50 -2.392 -0.864 1.687 305 1HB LEU 50 HB2 LEU 50 -2.712 0.869 3.821 306 2HB LEU 50 HB1 LEU 50 -3.354 -0.643 4.433 307 HG LEU 50 HG LEU 50 -0.626 -0.384 3.177 308 1HD1 LEU 50 HD11 LEU 50 -0.893 -0.739 6.094 309 2HD1 LEU 50 HD12 LEU 50 -1.267 0.864 5.461 310 3HD1 LEU 50 HD13 LEU 50 0.315 0.144 5.160 311 1HD2 LEU 50 HD21 LEU 50 -1.659 -2.521 5.019 312 2HD2 LEU 50 HD22 LEU 50 -0.203 -2.540 4.024 313 3HD2 LEU 50 HD23 LEU 50 -1.791 -2.631 3.263 314 H TYR 51 HN TYR 51 -5.747 -0.362 2.140 315 HA TYR 51 HA TYR 51 -6.344 -3.005 3.100 316 1HB TYR 51 HB2 TYR 51 -7.755 -0.982 3.580 317 2HB TYR 51 HB1 TYR 51 -8.260 -1.003 1.894 318 HD1 TYR 51 HD1 TYR 51 -8.634 -2.552 5.162 319 HD2 TYR 51 HD2 TYR 51 -9.666 -2.845 1.045 320 HE1 TYR 51 HE1 TYR 51 -10.426 -4.136 5.731 321 HE2 TYR 51 HE2 TYR 51 -11.462 -4.429 1.602 322 HH TYR 51 HH TYR 51 -12.484 -4.990 4.829 323 H HIS 52 HN HIS 52 -6.984 -1.312 0.002 324 HA HIS 52 HA HIS 52 -7.991 -3.539 -1.348 325 1HB HIS 52 HB2 HIS 52 -6.359 -1.492 -2.813 326 2HB HIS 52 HB1 HIS 52 -7.818 -2.319 -3.324 327 HD1 HIS 52 HD1 HIS 52 -10.010 -1.596 -1.733 328 HD2 HIS 52 HD2 HIS 52 -6.847 1.071 -2.107 329 HE1 HIS 52 HE1 HIS 52 -10.952 0.654 -1.122 330 HE2 HIS 52 HE2 HIS 52 -9.043 2.265 -1.445 331 H LEU 53 HN LEU 53 -4.657 -2.389 -0.992 332 HA LEU 53 HA LEU 53 -3.311 -3.991 -2.722 333 1HB LEU 53 HB2 LEU 53 -2.717 -2.403 -0.471 334 2HB LEU 53 HB1 LEU 53 -1.916 -3.942 -0.218 335 HG LEU 53 HG LEU 53 -0.710 -3.733 -2.253 336 1HD1 LEU 53 HD11 LEU 53 -1.878 -2.807 -3.926 337 2HD1 LEU 53 HD12 LEU 53 -1.066 -1.332 -3.397 338 3HD1 LEU 53 HD13 LEU 53 -2.710 -1.675 -2.858 339 1HD2 LEU 53 HD21 LEU 53 -0.255 -0.975 -1.495 340 2HD2 LEU 53 HD22 LEU 53 0.810 -2.373 -1.354 341 3HD2 LEU 53 HD23 LEU 53 -0.379 -2.040 -0.095 342 H GLY 54 HN GLY 54 -4.201 -4.844 0.633 343 1HA GLY 54 HA2 GLY 54 -3.162 -7.423 0.677 344 2HA GLY 54 HA1 GLY 54 -4.566 -6.904 1.600 345 H GLN 55 HN GLN 55 -6.280 -6.273 -0.521 346 HA GLN 55 HA GLN 55 -7.191 -8.906 -1.230 347 1HB GLN 55 HB2 GLN 55 -8.247 -6.194 -2.057 348 2HB GLN 55 HB1 GLN 55 -9.071 -7.730 -2.291 349 1HG GLN 55 HG2 GLN 55 -8.501 -7.665 0.421 350 2HG GLN 55 HG1 GLN 55 -8.976 -6.014 0.030 351 1HE2 GLN 55 HE21 GLN 55 -10.019 -9.204 0.563 352 2HE2 GLN 55 HE22 GLN 55 -11.699 -8.962 0.242 353 H TYR 56 HN TYR 56 -5.411 -6.346 -2.745 354 HA TYR 56 HA TYR 56 -5.783 -7.057 -5.449 355 1HB TYR 56 HB2 TYR 56 -4.903 -4.891 -4.977 356 2HB TYR 56 HB1 TYR 56 -3.600 -5.557 -4.002 357 HD1 TYR 56 HD1 TYR 56 -4.864 -5.316 -7.483 358 HD2 TYR 56 HD2 TYR 56 -1.524 -6.065 -4.962 359 HE1 TYR 56 HE1 TYR 56 -3.394 -5.330 -9.452 360 HE2 TYR 56 HE2 TYR 56 -0.038 -6.072 -6.922 361 HH TYR 56 HH TYR 56 -1.238 -6.139 -10.139 362 H ILE 57 HN ILE 57 -3.201 -7.855 -3.136 363 HA ILE 57 HA ILE 57 -1.662 -9.446 -4.844 364 HB ILE 57 HB ILE 57 -1.968 -9.769 -1.857 365 1HG1 ILE 57 HG12 ILE 57 -0.064 -8.046 -3.459 366 2HG1 ILE 57 HG11 ILE 57 -1.389 -7.464 -2.456 367 1HG2 ILE 57 HG21 ILE 57 0.339 -10.513 -3.650 368 2HG2 ILE 57 HG22 ILE 57 -0.858 -11.649 -3.026 369 3HG2 ILE 57 HG23 ILE 57 0.211 -10.795 -1.913 370 1HD1 ILE 57 HD11 ILE 57 0.706 -9.160 -1.206 371 2HD1 ILE 57 HD12 ILE 57 -0.271 -7.869 -0.509 372 3HD1 ILE 57 HD13 ILE 57 1.074 -7.476 -1.579 373 H MET 58 HN MET 58 -4.076 -10.475 -2.418 374 HA MET 58 HA MET 58 -4.000 -13.201 -3.013 375 1HB MET 58 HB2 MET 58 -6.084 -13.388 -1.832 376 2HB MET 58 HB1 MET 58 -5.098 -12.182 -1.017 377 1HG MET 58 HG2 MET 58 -6.371 -10.410 -2.139 378 2HG MET 58 HG1 MET 58 -7.380 -11.637 -2.903 379 1HE MET 58 HE1 MET 58 -7.205 -10.914 1.646 380 2HE MET 58 HE2 MET 58 -6.606 -9.711 0.503 381 3HE MET 58 HE3 MET 58 -5.821 -11.286 0.618 382 H ALA 59 HN ALA 59 -5.690 -10.562 -4.565 383 HA ALA 59 HA ALA 59 -7.420 -12.179 -6.153 384 1HB ALA 59 HB1 ALA 59 -7.924 -10.151 -7.359 385 2HB ALA 59 HB2 ALA 59 -6.510 -9.350 -6.674 386 3HB ALA 59 HB3 ALA 59 -7.860 -9.797 -5.633 387 H LYS 60 HN LYS 60 -4.526 -10.269 -7.014 388 HA LYS 60 HA LYS 60 -4.268 -11.374 -9.598 389 1HB LYS 60 HB2 LYS 60 -2.460 -9.817 -7.785 390 2HB LYS 60 HB1 LYS 60 -1.820 -10.515 -9.266 391 1HG LYS 60 HG2 LYS 60 -2.494 -8.172 -9.531 392 2HG LYS 60 HG1 LYS 60 -3.391 -9.258 -10.592 393 1HD LYS 60 HD2 LYS 60 -5.277 -9.216 -9.035 394 2HD LYS 60 HD1 LYS 60 -4.376 -8.142 -7.967 395 1HE LYS 60 HE2 LYS 60 -5.346 -6.466 -9.077 396 2HE LYS 60 HE1 LYS 60 -4.250 -6.860 -10.401 397 1HZ LYS 60 HZ1 LYS 60 -6.334 -6.872 -11.381 398 2HZ LYS 60 HZ2 LYS 60 -7.080 -7.624 -10.062 399 3HZ LYS 60 HZ3 LYS 60 -6.062 -8.514 -11.078 400 H GLN 61 HN GLN 61 -3.369 -12.516 -6.470 401 HA GLN 61 HA GLN 61 -2.472 -14.480 -5.762 402 1HB GLN 61 HB2 GLN 61 -3.867 -15.400 -7.671 403 2HB GLN 61 HB1 GLN 61 -2.404 -15.362 -8.647 404 1HG GLN 61 HG2 GLN 61 -1.875 -17.362 -7.877 405 2HG GLN 61 HG1 GLN 61 -1.731 -16.679 -6.258 406 1HE2 GLN 61 HE21 GLN 61 -4.430 -16.022 -5.856 407 2HE2 GLN 61 HE22 GLN 61 -5.328 -17.490 -5.703 408 H LEU 62 HN LEU 62 -0.662 -12.853 -5.464 409 HA LEU 62 HA LEU 62 1.677 -13.589 -7.091 410 1HB LEU 62 HB2 LEU 62 1.665 -11.229 -5.262 411 2HB LEU 62 HB1 LEU 62 2.585 -11.490 -6.730 412 HG LEU 62 HG LEU 62 -0.329 -10.749 -6.510 413 1HD1 LEU 62 HD11 LEU 62 2.158 -9.353 -7.421 414 2HD1 LEU 62 HD12 LEU 62 0.921 -8.804 -6.291 415 3HD1 LEU 62 HD13 LEU 62 0.571 -8.868 -8.018 416 1HD2 LEU 62 HD21 LEU 62 0.209 -10.620 -9.151 417 2HD2 LEU 62 HD22 LEU 62 -0.558 -12.001 -8.368 418 3HD2 LEU 62 HD23 LEU 62 1.175 -12.023 -8.696 419 H TYR 63 HN TYR 63 0.270 -14.338 -4.214 420 HA TYR 63 HA TYR 63 2.602 -14.309 -2.529 421 1HB TYR 63 HB2 TYR 63 1.143 -15.583 -0.951 422 2HB TYR 63 HB1 TYR 63 0.444 -14.056 -1.481 423 HD1 TYR 63 HD1 TYR 63 0.404 -17.703 -2.242 424 HD2 TYR 63 HD2 TYR 63 -1.714 -14.015 -2.351 425 HE1 TYR 63 HE1 TYR 63 -1.615 -18.894 -2.982 426 HE2 TYR 63 HE2 TYR 63 -3.740 -15.194 -3.096 427 HH TYR 63 HH TYR 63 -4.400 -18.124 -2.733 428 H ASP 64 HN ASP 64 3.675 -16.166 -1.701 429 HA ASP 64 HA ASP 64 4.033 -18.229 -3.689 430 1HB ASP 64 HB2 ASP 64 5.978 -17.279 -2.534 431 2HB ASP 64 HB1 ASP 64 5.348 -17.842 -0.989 432 H GLU 65 HN GLU 65 3.593 -20.403 -3.475 433 HA GLU 65 HA GLU 65 1.340 -21.116 -1.929 434 1HB GLU 65 HB2 GLU 65 3.198 -22.493 -3.776 435 2HB GLU 65 HB1 GLU 65 2.367 -23.525 -2.620 436 1HG GLU 65 HG2 GLU 65 0.851 -21.551 -4.278 437 2HG GLU 65 HG1 GLU 65 1.306 -23.125 -4.928 438 H LYS 66 HN LYS 66 4.781 -21.984 -1.619 439 HA LYS 66 HA LYS 66 4.560 -23.584 0.658 440 1HB LYS 66 HB2 LYS 66 6.827 -21.846 -0.321 441 2HB LYS 66 HB1 LYS 66 6.976 -22.938 1.048 442 1HG LYS 66 HG2 LYS 66 6.457 -24.833 -0.398 443 2HG LYS 66 HG1 LYS 66 6.293 -23.740 -1.774 444 1HD LYS 66 HD2 LYS 66 8.460 -24.446 -2.052 445 2HD LYS 66 HD1 LYS 66 8.715 -23.005 -1.066 446 1HE LYS 66 HE2 LYS 66 9.077 -24.264 0.879 447 2HE LYS 66 HE1 LYS 66 8.377 -25.719 0.170 448 1HZ LYS 66 HZ1 LYS 66 10.770 -25.887 0.268 449 2HZ LYS 66 HZ2 LYS 66 10.948 -24.458 -0.620 450 3HZ LYS 66 HZ3 LYS 66 10.270 -25.827 -1.347 451 H GLN 67 HN GLN 67 5.565 -20.164 0.504 452 HA GLN 67 HA GLN 67 4.619 -19.860 3.276 453 1HB GLN 67 HB2 GLN 67 6.119 -17.681 3.019 454 2HB GLN 67 HB1 GLN 67 6.808 -19.225 3.490 455 1HG GLN 67 HG2 GLN 67 6.723 -18.314 0.633 456 2HG GLN 67 HG1 GLN 67 8.040 -17.895 1.724 457 1HE2 GLN 67 HE21 GLN 67 9.044 -19.121 -0.208 458 2HE2 GLN 67 HE22 GLN 67 9.300 -20.810 0.049 459 H GLN 68 HN GLN 68 2.852 -18.682 3.558 460 HA GLN 68 HA GLN 68 1.679 -17.270 1.345 461 1HB GLN 68 HB2 GLN 68 0.840 -17.917 4.142 462 2HB GLN 68 HB1 GLN 68 -0.019 -16.663 3.258 463 1HG GLN 68 HG2 GLN 68 -1.283 -18.511 2.778 464 2HG GLN 68 HG1 GLN 68 -0.189 -18.469 1.396 465 1HE2 GLN 68 HE21 GLN 68 0.336 -20.455 0.850 466 2HE2 GLN 68 HE22 GLN 68 0.757 -21.734 1.932 467 H HIS 69 HN HIS 69 3.776 -16.447 3.911 468 HA HIS 69 HA HIS 69 3.003 -13.644 3.905 469 1HB HIS 69 HB2 HIS 69 4.638 -13.365 5.682 470 2HB HIS 69 HB1 HIS 69 3.594 -14.733 6.037 471 HD1 HIS 69 HD1 HIS 69 7.072 -14.052 4.682 472 HD2 HIS 69 HD2 HIS 69 4.909 -17.046 6.585 473 HE1 HIS 69 HE1 HIS 69 8.746 -15.848 5.229 474 HE2 HIS 69 HE2 HIS 69 7.428 -17.613 6.450 475 H ILE 70 HN ILE 70 4.501 -15.314 1.693 476 HA ILE 70 HA ILE 70 6.538 -13.247 1.184 477 HB ILE 70 HB ILE 70 6.657 -16.175 0.438 478 1HG1 ILE 70 HG12 ILE 70 7.283 -15.814 2.743 479 2HG1 ILE 70 HG11 ILE 70 8.747 -16.107 1.809 480 1HG2 ILE 70 HG21 ILE 70 9.089 -15.194 -0.217 481 2HG2 ILE 70 HG22 ILE 70 8.065 -13.819 -0.628 482 3HG2 ILE 70 HG23 ILE 70 7.764 -15.394 -1.363 483 1HD1 ILE 70 HD11 ILE 70 9.258 -14.344 3.263 484 2HD1 ILE 70 HD12 ILE 70 7.743 -13.511 2.916 485 3HD1 ILE 70 HD13 ILE 70 9.004 -13.596 1.687 486 H VAL 71 HN VAL 71 6.431 -12.213 -0.727 487 HA VAL 71 HA VAL 71 4.576 -13.259 -2.763 488 HB VAL 71 HB VAL 71 4.948 -10.321 -2.197 489 1HG1 VAL 71 HG11 VAL 71 2.630 -11.628 -3.575 490 2HG1 VAL 71 HG12 VAL 71 4.112 -11.240 -4.452 491 3HG1 VAL 71 HG13 VAL 71 3.185 -9.956 -3.673 492 1HG2 VAL 71 HG21 VAL 71 2.434 -10.815 -1.341 493 2HG2 VAL 71 HG22 VAL 71 3.839 -10.743 -0.275 494 3HG2 VAL 71 HG23 VAL 71 3.238 -12.303 -0.841 495 H HIS 72 HN HIS 72 5.969 -13.970 -4.300 496 HA HIS 72 HA HIS 72 7.912 -12.010 -5.325 497 1HB HIS 72 HB2 HIS 72 9.481 -13.799 -5.805 498 2HB HIS 72 HB1 HIS 72 9.057 -13.829 -4.097 499 HD1 HIS 72 HD1 HIS 72 6.894 -15.607 -3.664 500 HD2 HIS 72 HD2 HIS 72 9.447 -16.269 -6.875 501 HE1 HIS 72 HE1 HIS 72 6.587 -18.025 -4.280 502 HE2 HIS 72 HE2 HIS 72 8.209 -18.426 -6.165 503 H CYS 73 HN CYS 73 6.810 -11.293 -7.060 504 HA CYS 73 HA CYS 73 6.212 -13.269 -9.151 505 1HB CYS 73 HB2 CYS 73 4.380 -11.408 -7.857 506 2HB CYS 73 HB1 CYS 73 4.426 -11.186 -9.604 507 HG CYS 73 HG CYS 73 3.384 -13.697 -8.146 508 H SER 74 HN SER 74 7.857 -12.888 -10.532 509 HA SER 74 HA SER 74 9.153 -10.450 -10.901 510 1HB SER 74 HB2 SER 74 8.913 -12.734 -12.870 511 2HB SER 74 HB1 SER 74 10.112 -11.442 -12.939 512 HG SER 74 HG SER 74 9.821 -13.197 -10.733 513 H ASN 75 HN ASN 75 6.528 -11.862 -12.873 514 HA ASN 75 HA ASN 75 6.374 -9.247 -14.200 515 1HB ASN 75 HB2 ASN 75 4.839 -10.388 -15.792 516 2HB ASN 75 HB1 ASN 75 6.431 -11.139 -15.726 517 1HD2 ASN 75 HD21 ASN 75 3.926 -12.282 -16.599 518 2HD2 ASN 75 HD22 ASN 75 3.633 -13.654 -15.592 519 H ASP 76 HN ASP 76 5.421 -8.053 -12.623 520 HA ASP 76 HA ASP 76 2.565 -8.280 -12.463 521 1HB ASP 76 HB2 ASP 76 4.180 -9.382 -10.324 522 2HB ASP 76 HB1 ASP 76 3.143 -8.087 -9.735 523 HA PRO 77 HA PRO 77 3.035 -3.876 -12.344 524 1HB PRO 77 HB2 PRO 77 0.532 -3.849 -10.771 525 2HB PRO 77 HB1 PRO 77 0.907 -3.073 -12.307 526 1HG PRO 77 HG2 PRO 77 -0.694 -5.238 -12.114 527 2HG PRO 77 HG1 PRO 77 0.294 -4.882 -13.539 528 1HD PRO 77 HD2 PRO 77 0.675 -6.932 -11.442 529 2HD PRO 77 HD1 PRO 77 1.204 -6.914 -13.132 530 H LEU 78 HN LEU 78 2.347 -5.803 -9.507 531 HA LEU 78 HA LEU 78 2.843 -3.805 -7.557 532 1HB LEU 78 HB2 LEU 78 1.808 -6.284 -7.461 533 2HB LEU 78 HB1 LEU 78 3.436 -6.639 -6.922 534 HG LEU 78 HG LEU 78 3.202 -5.065 -5.076 535 1HD1 LEU 78 HD11 LEU 78 0.789 -4.303 -6.564 536 2HD1 LEU 78 HD12 LEU 78 1.812 -3.351 -5.488 537 3HD1 LEU 78 HD13 LEU 78 0.585 -4.426 -4.817 538 1HD2 LEU 78 HD21 LEU 78 1.920 -6.425 -3.725 539 2HD2 LEU 78 HD22 LEU 78 2.300 -7.506 -5.066 540 3HD2 LEU 78 HD23 LEU 78 0.721 -6.724 -4.983 541 H GLY 79 HN GLY 79 4.847 -6.652 -8.370 542 1HA GLY 79 HA2 GLY 79 7.168 -5.801 -7.093 543 2HA GLY 79 HA1 GLY 79 7.129 -6.913 -8.455 544 H GLU 80 HN GLU 80 5.870 -4.924 -10.207 545 HA GLU 80 HA GLU 80 8.260 -3.697 -11.189 546 1HB GLU 80 HB2 GLU 80 6.786 -4.393 -12.872 547 2HB GLU 80 HB1 GLU 80 5.381 -3.739 -12.045 548 1HG GLU 80 HG2 GLU 80 6.087 -2.523 -14.114 549 2HG GLU 80 HG1 GLU 80 5.923 -1.529 -12.668 550 H LEU 81 HN LEU 81 5.544 -2.709 -9.250 551 HA LEU 81 HA LEU 81 5.972 0.107 -9.509 552 1HB LEU 81 HB2 LEU 81 3.788 -0.811 -8.902 553 2HB LEU 81 HB1 LEU 81 4.465 -1.481 -7.431 554 HG LEU 81 HG LEU 81 4.887 0.769 -6.575 555 1HD1 LEU 81 HD11 LEU 81 4.132 2.736 -7.737 556 2HD1 LEU 81 HD12 LEU 81 3.517 1.758 -9.069 557 3HD1 LEU 81 HD13 LEU 81 5.253 1.848 -8.769 558 1HD2 LEU 81 HD21 LEU 81 2.502 1.496 -6.375 559 2HD2 LEU 81 HD22 LEU 81 2.793 -0.196 -5.974 560 3HD2 LEU 81 HD23 LEU 81 2.083 0.231 -7.531 561 H PHE 82 HN PHE 82 6.394 -2.093 -6.732 562 HA PHE 82 HA PHE 82 7.845 -0.310 -5.141 563 1HB PHE 82 HB2 PHE 82 8.105 -3.323 -5.139 564 2HB PHE 82 HB1 PHE 82 8.482 -2.232 -3.811 565 HD1 PHE 82 HD1 PHE 82 6.024 -0.448 -4.135 566 HD2 PHE 82 HD2 PHE 82 6.520 -4.672 -4.031 567 HE1 PHE 82 HE1 PHE 82 3.728 -0.692 -3.285 568 HE2 PHE 82 HE2 PHE 82 4.225 -4.925 -3.182 569 HZ PHE 82 HZ PHE 82 2.826 -2.933 -2.808 570 H GLY 83 HN GLY 83 8.842 -2.306 -7.807 571 1HA GLY 83 HA2 GLY 83 10.810 -1.926 -9.050 572 2HA GLY 83 HA1 GLY 83 11.502 -1.104 -7.660 573 H VAL 84 HN VAL 84 9.957 -4.183 -7.234 574 HA VAL 84 HA VAL 84 12.533 -5.574 -7.279 575 HB VAL 84 HB VAL 84 11.999 -6.668 -5.099 576 1HG1 VAL 84 HG11 VAL 84 12.386 -4.396 -3.776 577 2HG1 VAL 84 HG12 VAL 84 12.690 -3.801 -5.408 578 3HG1 VAL 84 HG13 VAL 84 13.645 -5.136 -4.763 579 1HG2 VAL 84 HG21 VAL 84 9.871 -4.535 -4.997 580 2HG2 VAL 84 HG22 VAL 84 10.410 -5.468 -3.601 581 3HG2 VAL 84 HG23 VAL 84 9.637 -6.283 -4.960 582 H GLN 85 HN GLN 85 12.200 -7.984 -6.916 583 HA GLN 85 HA GLN 85 9.858 -8.813 -8.471 584 1HB GLN 85 HB2 GLN 85 12.337 -10.418 -7.836 585 2HB GLN 85 HB1 GLN 85 11.090 -10.816 -9.009 586 1HG GLN 85 HG2 GLN 85 13.064 -8.553 -9.152 587 2HG GLN 85 HG1 GLN 85 13.010 -9.993 -10.167 588 1HE2 GLN 85 HE21 GLN 85 12.146 -9.712 -12.086 589 2HE2 GLN 85 HE22 GLN 85 10.979 -8.513 -12.518 590 H GLU 86 HN GLU 86 11.443 -9.243 -5.393 591 HA GLU 86 HA GLU 86 9.110 -10.750 -4.457 592 1HB GLU 86 HB2 GLU 86 10.700 -12.145 -3.054 593 2HB GLU 86 HB1 GLU 86 10.677 -12.494 -4.777 594 1HG GLU 86 HG2 GLU 86 12.652 -10.613 -4.591 595 2HG GLU 86 HG1 GLU 86 12.840 -11.514 -3.088 596 H PHE 87 HN PHE 87 8.594 -10.465 -2.273 597 HA PHE 87 HA PHE 87 10.236 -8.869 -0.547 598 1HB PHE 87 HB2 PHE 87 8.731 -6.969 -0.325 599 2HB PHE 87 HB1 PHE 87 9.261 -7.118 -1.997 600 HD1 PHE 87 HD1 PHE 87 6.444 -7.306 0.293 601 HD2 PHE 87 HD2 PHE 87 7.712 -7.865 -3.731 602 HE1 PHE 87 HE1 PHE 87 4.096 -7.325 -0.440 603 HE2 PHE 87 HE2 PHE 87 5.365 -7.885 -4.471 604 HZ PHE 87 HZ PHE 87 3.553 -7.614 -2.825 605 H SER 88 HN SER 88 9.922 -9.646 1.424 606 HA SER 88 HA SER 88 7.703 -11.358 2.014 607 1HB SER 88 HB2 SER 88 9.703 -10.258 3.994 608 2HB SER 88 HB1 SER 88 8.764 -11.745 4.121 609 HG SER 88 HG SER 88 10.939 -11.175 2.409 610 H VAL 89 HN VAL 89 5.919 -10.961 3.255 611 HA VAL 89 HA VAL 89 5.301 -8.163 3.727 612 HB VAL 89 HB VAL 89 3.033 -9.142 4.442 613 1HG1 VAL 89 HG11 VAL 89 4.161 -9.188 1.668 614 2HG1 VAL 89 HG12 VAL 89 3.108 -7.993 2.423 615 3HG1 VAL 89 HG13 VAL 89 2.468 -9.574 1.974 616 1HG2 VAL 89 HG21 VAL 89 2.500 -11.332 3.954 617 2HG2 VAL 89 HG22 VAL 89 4.147 -11.495 4.565 618 3HG2 VAL 89 HG23 VAL 89 3.844 -11.520 2.827 619 H LYS 90 HN LYS 90 7.076 -10.089 5.469 620 HA LYS 90 HA LYS 90 5.739 -10.031 8.014 621 1HB LYS 90 HB2 LYS 90 7.503 -11.728 7.208 622 2HB LYS 90 HB1 LYS 90 8.685 -10.488 7.605 623 1HG LYS 90 HG2 LYS 90 8.529 -11.978 9.453 624 2HG LYS 90 HG1 LYS 90 7.771 -10.455 9.921 625 1HD LYS 90 HD2 LYS 90 5.654 -11.823 8.890 626 2HD LYS 90 HD1 LYS 90 6.604 -13.130 9.602 627 1HE LYS 90 HE2 LYS 90 6.732 -11.602 11.676 628 2HE LYS 90 HE1 LYS 90 5.387 -10.736 10.935 629 1HZ LYS 90 HZ1 LYS 90 5.462 -13.560 11.826 630 2HZ LYS 90 HZ2 LYS 90 4.246 -12.961 10.815 631 3HZ LYS 90 HZ3 LYS 90 4.443 -12.322 12.368 632 H GLU 91 HN GLU 91 8.085 -8.082 6.301 633 HA GLU 91 HA GLU 91 8.502 -6.372 8.630 634 1HB GLU 91 HB2 GLU 91 9.693 -5.995 5.887 635 2HB GLU 91 HB1 GLU 91 10.278 -5.360 7.419 636 1HG GLU 91 HG2 GLU 91 10.318 -8.061 7.850 637 2HG GLU 91 HG1 GLU 91 10.757 -7.938 6.147 638 H HIS 92 HN HIS 92 6.287 -5.629 8.665 639 HA HIS 92 HA HIS 92 4.960 -4.340 6.600 640 1HB HIS 92 HB2 HIS 92 4.837 -4.007 9.590 641 2HB HIS 92 HB1 HIS 92 3.798 -3.078 8.515 642 HD1 HIS 92 HD1 HIS 92 2.371 -4.864 10.406 643 HD2 HIS 92 HD2 HIS 92 3.727 -6.208 6.714 644 HE1 HIS 92 HE1 HIS 92 0.971 -6.883 9.869 645 HE2 HIS 92 HE2 HIS 92 1.865 -7.727 7.670 646 H ARG 93 HN ARG 93 7.555 -3.204 8.617 647 HA ARG 93 HA ARG 93 7.238 -0.436 8.257 648 1HB ARG 93 HB2 ARG 93 8.770 -1.616 9.897 649 2HB ARG 93 HB1 ARG 93 9.876 -1.868 8.554 650 1HG ARG 93 HG2 ARG 93 9.069 0.894 8.715 651 2HG ARG 93 HG1 ARG 93 9.749 0.337 10.245 652 1HD ARG 93 HD2 ARG 93 11.744 -0.443 9.101 653 2HD ARG 93 HD1 ARG 93 11.058 0.024 7.545 654 HE ARG 93 HE ARG 93 11.736 2.161 7.953 655 1HH1 ARG 93 HH11 ARG 93 11.595 0.459 10.996 656 2HH1 ARG 93 HH12 ARG 93 12.268 1.771 11.904 657 1HH2 ARG 93 HH21 ARG 93 12.621 3.888 9.145 658 2HH2 ARG 93 HH22 ARG 93 12.850 3.718 10.853 659 H ARG 94 HN ARG 94 9.130 -2.815 6.417 660 HA ARG 94 HA ARG 94 10.242 -1.005 4.579 661 1HB ARG 94 HB2 ARG 94 9.869 -3.945 4.716 662 2HB ARG 94 HB1 ARG 94 10.174 -3.262 3.124 663 1HG ARG 94 HG2 ARG 94 11.962 -2.332 5.269 664 2HG ARG 94 HG1 ARG 94 12.104 -4.036 4.831 665 1HD ARG 94 HD2 ARG 94 11.944 -2.183 2.558 666 2HD ARG 94 HD1 ARG 94 13.380 -1.996 3.564 667 HE ARG 94 HE ARG 94 12.754 -4.196 1.821 668 1HH1 ARG 94 HH11 ARG 94 14.581 -3.188 4.619 669 2HH1 ARG 94 HH12 ARG 94 15.770 -4.435 4.446 670 1HH2 ARG 94 HH21 ARG 94 14.318 -5.836 1.593 671 2HH2 ARG 94 HH22 ARG 94 15.622 -5.938 2.728 672 H ILE 95 HN ILE 95 7.316 -3.012 4.377 673 HA ILE 95 HA ILE 95 6.579 -2.188 1.776 674 HB ILE 95 HB ILE 95 4.731 -3.173 3.945 675 1HG1 ILE 95 HG12 ILE 95 6.420 -4.704 1.954 676 2HG1 ILE 95 HG11 ILE 95 6.586 -4.724 3.706 677 1HG2 ILE 95 HG21 ILE 95 3.180 -2.804 2.386 678 2HG2 ILE 95 HG22 ILE 95 3.899 -4.139 1.487 679 3HG2 ILE 95 HG23 ILE 95 4.392 -2.481 1.147 680 1HD1 ILE 95 HD11 ILE 95 3.941 -5.489 2.709 681 2HD1 ILE 95 HD12 ILE 95 4.943 -6.215 3.965 682 3HD1 ILE 95 HD13 ILE 95 5.257 -6.575 2.268 683 H TYR 96 HN TYR 96 5.343 -1.191 4.970 684 HA TYR 96 HA TYR 96 3.480 0.672 4.238 685 1HB TYR 96 HB2 TYR 96 3.983 -0.011 6.569 686 2HB TYR 96 HB1 TYR 96 5.447 0.964 6.518 687 HD1 TYR 96 HD1 TYR 96 5.215 3.469 6.208 688 HD2 TYR 96 HD2 TYR 96 1.910 0.950 7.117 689 HE1 TYR 96 HE1 TYR 96 3.942 5.428 6.976 690 HE2 TYR 96 HE2 TYR 96 0.626 2.901 7.887 691 HH TYR 96 HH TYR 96 0.556 5.173 7.921 692 H ALA 97 HN ALA 97 6.947 0.944 4.051 693 HA ALA 97 HA ALA 97 6.996 3.782 3.671 694 1HB ALA 97 HB1 ALA 97 8.950 2.801 4.579 695 2HB ALA 97 HB2 ALA 97 9.370 3.341 2.954 696 3HB ALA 97 HB3 ALA 97 9.060 1.632 3.263 697 H MET 98 HN MET 98 7.891 1.136 1.439 698 HA MET 98 HA MET 98 8.017 2.627 -0.876 699 1HB MET 98 HB2 MET 98 7.961 0.597 -2.076 700 2HB MET 98 HB1 MET 98 8.684 0.203 -0.523 701 1HG MET 98 HG2 MET 98 6.220 -0.407 0.117 702 2HG MET 98 HG1 MET 98 6.033 -0.559 -1.628 703 1HE MET 98 HE1 MET 98 5.940 -3.680 0.342 704 2HE MET 98 HE2 MET 98 6.088 -4.055 -1.375 705 3HE MET 98 HE3 MET 98 5.144 -2.658 -0.854 706 H ILE 99 HN ILE 99 5.160 1.169 0.614 707 HA ILE 99 HA ILE 99 3.395 1.744 -1.535 708 HB ILE 99 HB ILE 99 1.579 1.374 0.090 709 1HG1 ILE 99 HG12 ILE 99 2.814 0.417 2.364 710 2HG1 ILE 99 HG11 ILE 99 3.765 1.847 1.980 711 1HG2 ILE 99 HG21 ILE 99 2.901 -0.480 -1.051 712 2HG2 ILE 99 HG22 ILE 99 1.939 -0.928 0.358 713 3HG2 ILE 99 HG23 ILE 99 3.684 -0.725 0.510 714 1HD1 ILE 99 HD11 ILE 99 2.179 3.185 2.746 715 2HD1 ILE 99 HD12 ILE 99 1.351 1.747 3.346 716 3HD1 ILE 99 HD13 ILE 99 0.950 2.397 1.756 717 H SER 100 HN SER 100 4.511 3.548 1.254 718 HA SER 100 HA SER 100 2.576 5.654 0.960 719 1HB SER 100 HB2 SER 100 4.761 4.990 2.800 720 2HB SER 100 HB1 SER 100 4.620 6.717 2.475 721 HG SER 100 HG SER 100 2.391 5.123 3.174 722 H ARG 101 HN ARG 101 5.996 5.212 0.140 723 HA ARG 101 HA ARG 101 6.293 7.830 -0.941 724 1HB ARG 101 HB2 ARG 101 8.426 6.888 -1.915 725 2HB ARG 101 HB1 ARG 101 8.282 6.827 -0.165 726 1HG ARG 101 HG2 ARG 101 7.284 4.442 -0.782 727 2HG ARG 101 HG1 ARG 101 8.364 4.661 -2.155 728 1HD ARG 101 HD2 ARG 101 9.743 5.465 0.199 729 2HD ARG 101 HD1 ARG 101 9.014 3.890 0.502 730 HE ARG 101 HE ARG 101 10.547 2.971 -0.910 731 1HH1 ARG 101 HH11 ARG 101 10.335 6.386 -1.599 732 2HH1 ARG 101 HH12 ARG 101 11.631 6.362 -2.746 733 1HH2 ARG 101 HH21 ARG 101 12.253 2.938 -2.419 734 2HH2 ARG 101 HH22 ARG 101 12.720 4.405 -3.212 735 H ASN 102 HN ASN 102 4.645 5.184 -2.100 736 HA ASN 102 HA ASN 102 5.225 5.755 -4.905 737 1HB ASN 102 HB2 ASN 102 3.841 3.520 -3.468 738 2HB ASN 102 HB1 ASN 102 3.533 3.782 -5.183 739 1HD2 ASN 102 HD21 ASN 102 4.653 1.445 -4.312 740 2HD2 ASN 102 HD22 ASN 102 6.300 1.363 -4.824 741 H LEU 103 HN LEU 103 3.672 7.556 -3.063 742 HA LEU 103 HA LEU 103 1.160 7.643 -4.603 743 1HB LEU 103 HB2 LEU 103 1.551 9.011 -1.961 744 2HB LEU 103 HB1 LEU 103 0.051 8.576 -2.758 745 HG LEU 103 HG LEU 103 1.929 6.442 -1.801 746 1HD1 LEU 103 HD11 LEU 103 1.702 7.302 0.267 747 2HD1 LEU 103 HD12 LEU 103 0.108 6.551 0.183 748 3HD1 LEU 103 HD13 LEU 103 0.294 8.268 -0.171 749 1HD2 LEU 103 HD21 LEU 103 0.305 5.374 -2.973 750 2HD2 LEU 103 HD22 LEU 103 -0.882 6.652 -2.710 751 3HD2 LEU 103 HD23 LEU 103 -0.534 5.494 -1.426 752 H VAL 104 HN VAL 104 1.207 9.172 -6.118 753 HA VAL 104 HA VAL 104 3.101 11.122 -6.460 754 HB VAL 104 HB VAL 104 1.104 12.405 -7.669 755 1HG1 VAL 104 HG11 VAL 104 3.117 11.195 -8.617 756 2HG1 VAL 104 HG12 VAL 104 1.687 11.266 -9.647 757 3HG1 VAL 104 HG13 VAL 104 2.071 9.783 -8.773 758 1HG2 VAL 104 HG21 VAL 104 0.054 9.580 -7.613 759 2HG2 VAL 104 HG22 VAL 104 -0.676 10.992 -8.375 760 3HG2 VAL 104 HG23 VAL 104 -0.604 10.879 -6.620 761 H SER 105 HN SER 105 -0.116 12.466 -5.906 762 HA SER 105 HA SER 105 1.100 14.368 -4.042 763 1HB SER 105 HB2 SER 105 -1.221 15.525 -4.440 764 2HB SER 105 HB1 SER 105 0.025 15.613 -5.684 765 HG SER 105 HG SER 105 -2.391 14.730 -5.992 766 H ALA 106 HN ALA 106 1.043 13.475 -2.047 767 HA ALA 106 HA ALA 106 -1.547 12.454 -1.079 768 1HB ALA 106 HB1 ALA 106 1.268 11.683 -0.477 769 2HB ALA 106 HB2 ALA 106 -0.135 10.665 -0.799 770 3HB ALA 106 HB3 ALA 106 0.034 11.466 0.763 771 H ASN 107 HN ASN 107 -2.343 13.145 0.906 772 HA ASN 107 HA ASN 107 -1.125 15.627 1.912 773 1HB ASN 107 HB2 ASN 107 -3.924 14.703 1.579 774 2HB ASN 107 HB1 ASN 107 -3.583 15.673 3.010 775 1HD2 ASN 107 HD21 ASN 107 -5.144 16.224 0.551 776 2HD2 ASN 107 HD22 ASN 107 -4.495 17.699 -0.073 777 H VAL 108 HN VAL 108 0.225 15.038 3.526 778 HA VAL 108 HA VAL 108 -0.951 13.491 5.737 779 HB VAL 108 HB VAL 108 0.886 12.320 4.321 780 1HG1 VAL 108 HG11 VAL 108 3.164 12.763 4.982 781 2HG1 VAL 108 HG12 VAL 108 2.630 14.033 6.085 782 3HG1 VAL 108 HG13 VAL 108 2.443 14.242 4.343 783 1HG2 VAL 108 HG21 VAL 108 -0.080 11.769 6.665 784 2HG2 VAL 108 HG22 VAL 108 1.478 12.350 7.251 785 3HG2 VAL 108 HG23 VAL 108 1.408 10.986 6.136 786 H LYS 109 HN LYS 109 0.005 13.930 7.852 787 HA LYS 109 HA LYS 109 0.843 16.742 8.064 788 1HB LYS 109 HB2 LYS 109 -0.765 14.953 9.858 789 2HB LYS 109 HB1 LYS 109 0.069 16.351 10.523 790 1HG LYS 109 HG2 LYS 109 -1.132 17.717 8.746 791 2HG LYS 109 HG1 LYS 109 -2.139 16.290 8.495 792 1HD LYS 109 HD2 LYS 109 -1.752 17.358 11.258 793 2HD LYS 109 HD1 LYS 109 -2.889 18.153 10.168 794 1HE LYS 109 HE2 LYS 109 -4.381 16.650 10.874 795 2HE LYS 109 HE1 LYS 109 -3.510 15.491 9.871 796 1HZ LYS 109 HZ1 LYS 109 -2.245 14.784 11.738 797 2HZ LYS 109 HZ2 LYS 109 -3.870 14.771 12.206 798 3HZ LYS 109 HZ3 LYS 109 -2.854 16.024 12.715 799 H GLU 110 HN GLU 110 2.759 17.243 8.937 800 HA GLU 110 HA GLU 110 4.560 15.097 9.643 801 1HB GLU 110 HB2 GLU 110 6.269 16.840 9.747 802 2HB GLU 110 HB1 GLU 110 5.345 16.959 8.256 803 1HG GLU 110 HG2 GLU 110 4.107 18.585 10.242 804 2HG GLU 110 HG1 GLU 110 5.830 18.957 10.183 805 H SER 111 HN SER 111 5.224 14.532 11.631 806 HA SER 111 HA SER 111 4.290 16.168 13.898 807 1HB SER 111 HB2 SER 111 4.154 14.024 15.185 808 2HB SER 111 HB1 SER 111 3.018 14.112 13.838 809 HG SER 111 HG SER 111 4.832 12.258 14.295 810 H SER 112 HN SER 112 5.665 16.431 15.649 811 HA SER 112 HA SER 112 8.473 16.172 15.041 812 1HB SER 112 HB2 SER 112 6.869 17.491 17.196 813 2HB SER 112 HB1 SER 112 8.582 17.179 17.478 814 HG SER 112 HG SER 112 8.949 18.301 15.446 815 H GLU 113 HN GLU 113 9.909 14.768 15.894 816 HA GLU 113 HA GLU 113 8.910 12.418 17.183 817 1HB GLU 113 HB2 GLU 113 11.315 11.732 17.206 818 2HB GLU 113 HB1 GLU 113 10.707 12.169 15.615 819 1HG GLU 113 HG2 GLU 113 12.013 14.017 15.464 820 2HG GLU 113 HG1 GLU 113 12.007 14.300 17.204 821 H ASP 114 HN ASP 114 9.039 11.802 19.278 822 HA ASP 114 HA ASP 114 9.532 13.835 21.242 823 1HB ASP 114 HB2 ASP 114 8.912 10.896 21.616 824 2HB ASP 114 HB1 ASP 114 8.849 12.132 22.869 825 H ILE 115 HN ILE 115 11.251 14.071 22.576 826 HA ILE 115 HA ILE 115 13.502 12.238 22.199 827 HB ILE 115 HB ILE 115 13.647 15.090 23.176 828 1HG1 ILE 115 HG12 ILE 115 14.201 14.014 20.401 829 2HG1 ILE 115 HG11 ILE 115 12.812 14.999 20.852 830 1HG2 ILE 115 HG21 ILE 115 15.629 12.951 22.596 831 2HG2 ILE 115 HG22 ILE 115 15.596 14.139 23.898 832 3HG2 ILE 115 HG23 ILE 115 16.078 14.625 22.273 833 1HD1 ILE 115 HD11 ILE 115 14.709 16.191 19.708 834 2HD1 ILE 115 HD12 ILE 115 15.643 15.938 21.183 835 3HD1 ILE 115 HD13 ILE 115 14.161 16.892 21.230 836 H PHE 116 HN PHE 116 13.318 10.832 23.781 837 HA PHE 116 HA PHE 116 13.026 11.821 26.540 838 1HB PHE 116 HB2 PHE 116 11.939 9.437 25.149 839 2HB PHE 116 HB1 PHE 116 12.465 9.202 26.812 840 HD1 PHE 116 HD1 PHE 116 9.784 10.128 24.757 841 HD2 PHE 116 HD2 PHE 116 11.587 11.006 28.510 842 HE1 PHE 116 HE1 PHE 116 7.655 11.067 25.555 843 HE2 PHE 116 HE2 PHE 116 9.461 11.945 29.317 844 HZ PHE 116 HZ PHE 116 7.491 11.976 27.838 845 H GLY 117 HN GLY 117 15.503 11.653 25.004 846 1HA GLY 117 HA2 GLY 117 17.680 11.001 25.322 847 2HA GLY 117 HA1 GLY 117 17.197 10.590 26.961 848 H ASN 118 HN ASN 118 15.719 9.083 24.185 849 HA ASN 118 HA ASN 118 16.917 6.534 25.009 850 1HB ASN 118 HB2 ASN 118 14.362 7.273 23.625 851 2HB ASN 118 HB1 ASN 118 15.031 5.657 23.416 852 1HD2 ASN 118 HD21 ASN 118 13.031 4.992 24.441 853 2HD2 ASN 118 HD22 ASN 118 12.928 4.987 26.165 854 H VAL 119 HN VAL 119 18.859 6.512 23.941 855 HA VAL 119 HA VAL 119 18.706 6.504 20.997 856 HB VAL 119 HB VAL 119 21.113 7.377 22.596 857 1HG1 VAL 119 HG11 VAL 119 21.045 6.457 20.062 858 2HG1 VAL 119 HG12 VAL 119 22.201 7.656 20.641 859 3HG1 VAL 119 HG13 VAL 119 20.750 8.173 19.783 860 1HG2 VAL 119 HG21 VAL 119 19.065 8.878 22.782 861 2HG2 VAL 119 HG22 VAL 119 19.282 9.201 21.062 862 3HG2 VAL 119 HG23 VAL 119 20.554 9.628 22.207 863 H30 IMY 120 1H30 IMY 120 0.904 -14.292 7.472 864 1H30 IMY 120 2H30 IMY 120 2.536 -14.151 6.707 865 2H30 IMY 120 3H30 IMY 120 1.647 -15.678 6.661 866 H26 IMY 120 H26 IMY 120 1.221 -12.047 7.028 867 H25 IMY 120 H25 IMY 120 0.111 -9.923 6.671 868 H31 IMY 120 H31 IMY 120 -2.342 -13.267 2.016 869 1H32 IMY 120 1H32 IMY 120 -2.312 -10.712 0.280 870 2H32 IMY 120 2H32 IMY 120 -2.724 -12.343 -0.275 871 3H32 IMY 120 3H32 IMY 120 -3.795 -11.465 0.834 872 1H33 IMY 120 1H33 IMY 120 0.049 -12.844 2.224 873 2H33 IMY 120 2H33 IMY 120 -0.384 -13.024 0.515 874 3H33 IMY 120 3H33 IMY 120 -0.058 -11.416 1.207 875 H28 IMY 120 H28 IMY 120 -0.691 -13.702 3.582 876 H4 IMY 120 H4 IMY 120 -2.557 -6.979 5.880 877 H3 IMY 120 H3 IMY 120 -3.333 -6.834 3.676 878 H18 IMY 120 H18 IMY 120 -0.098 -8.432 2.458 879 H17 IMY 120 H17 IMY 120 1.301 -7.445 0.727 880 H15 IMY 120 H15 IMY 120 -1.170 -3.984 0.581 881 H14 IMY 120 H14 IMY 120 -2.615 -4.906 2.352 882 H20 IMY 120 H20 IMY 120 -2.583 -4.572 6.200 883 H21 IMY 120 H21 IMY 120 -1.292 -2.554 6.675 884 H23 IMY 120 H23 IMY 120 2.270 -4.453 5.196 885 H24 IMY 120 H24 IMY 120 1.040 -6.528 4.852 Start of MODEL 9 1 1H ASN 13 HT1 ASN 13 -11.934 24.686 4.922 2 2H ASN 13 HT2 ASN 13 -11.200 23.346 5.704 3 3H ASN 13 HT3 ASN 13 -10.865 24.943 6.237 4 HA ASN 13 HA ASN 13 -13.176 25.210 6.838 5 1HB ASN 13 HB2 ASN 13 -14.587 23.185 6.888 6 2HB ASN 13 HB1 ASN 13 -14.087 23.586 5.248 7 1HD2 ASN 13 HD21 ASN 13 -14.973 21.128 5.615 8 2HD2 ASN 13 HD22 ASN 13 -13.686 19.976 5.614 9 H HIS 14 HN HIS 14 -13.868 24.650 8.987 10 HA HIS 14 HA HIS 14 -11.672 23.547 10.585 11 1HB HIS 14 HB2 HIS 14 -12.831 25.887 10.942 12 2HB HIS 14 HB1 HIS 14 -14.033 24.927 11.798 13 HD1 HIS 14 HD1 HIS 14 -13.331 23.874 14.042 14 HD2 HIS 14 HD2 HIS 14 -10.335 26.094 12.208 15 HE1 HIS 14 HE1 HIS 14 -11.550 24.175 15.792 16 HE2 HIS 14 HE2 HIS 14 -9.787 25.595 14.686 17 H ILE 15 HN ILE 15 -12.027 21.343 10.488 18 HA ILE 15 HA ILE 15 -14.653 20.262 11.065 19 HB ILE 15 HB ILE 15 -13.482 18.046 10.874 20 1HG1 ILE 15 HG12 ILE 15 -11.155 19.496 9.679 21 2HG1 ILE 15 HG11 ILE 15 -11.211 19.279 11.426 22 1HG2 ILE 15 HG21 ILE 15 -13.779 20.068 8.753 23 2HG2 ILE 15 HG22 ILE 15 -14.480 18.456 8.895 24 3HG2 ILE 15 HG23 ILE 15 -12.819 18.649 8.335 25 1HD1 ILE 15 HD11 ILE 15 -10.431 17.430 9.404 26 2HD1 ILE 15 HD12 ILE 15 -11.813 16.782 10.288 27 3HD1 ILE 15 HD13 ILE 15 -10.356 17.262 11.157 28 H SER 16 HN SER 16 -11.608 20.774 12.692 29 HA SER 16 HA SER 16 -10.991 20.585 14.900 30 1HB SER 16 HB2 SER 16 -13.936 20.779 15.001 31 2HB SER 16 HB1 SER 16 -13.190 20.046 16.421 32 HG SER 16 HG SER 16 -13.393 22.577 15.945 33 H THR 17 HN THR 17 -13.757 18.362 15.018 34 HA THR 17 HA THR 17 -12.028 16.275 16.042 35 HB THR 17 HB THR 17 -14.319 15.012 16.016 36 HG1 THR 17 HG1 THR 17 -15.744 16.203 15.017 37 1HG2 THR 17 HG21 THR 17 -14.021 17.405 17.812 38 2HG2 THR 17 HG22 THR 17 -13.223 15.851 18.059 39 3HG2 THR 17 HG23 THR 17 -14.982 15.958 18.116 40 H SER 18 HN SER 18 -12.850 13.954 15.167 41 HA SER 18 HA SER 18 -11.751 13.732 12.574 42 1HB SER 18 HB2 SER 18 -12.077 11.986 14.592 43 2HB SER 18 HB1 SER 18 -13.451 11.518 13.591 44 HG SER 18 HG SER 18 -10.719 11.606 12.836 45 H ASP 19 HN ASP 19 -12.679 14.166 10.696 46 HA ASP 19 HA ASP 19 -15.584 13.759 10.428 47 1HB ASP 19 HB2 ASP 19 -14.439 16.215 10.426 48 2HB ASP 19 HB1 ASP 19 -14.338 15.823 8.712 49 H GLN 20 HN GLN 20 -12.797 14.487 8.317 50 HA GLN 20 HA GLN 20 -13.702 12.323 6.543 51 1HB GLN 20 HB2 GLN 20 -13.816 14.296 5.290 52 2HB GLN 20 HB1 GLN 20 -12.359 14.957 6.016 53 1HG GLN 20 HG2 GLN 20 -11.028 13.287 4.801 54 2HG GLN 20 HG1 GLN 20 -12.500 12.702 4.027 55 1HE2 GLN 20 HE21 GLN 20 -9.889 14.340 3.342 56 2HE2 GLN 20 HE22 GLN 20 -10.495 15.530 2.246 57 H GLU 21 HN GLU 21 -12.026 11.090 5.448 58 HA GLU 21 HA GLU 21 -9.626 10.802 7.129 59 1HB GLU 21 HB2 GLU 21 -11.132 8.794 5.452 60 2HB GLU 21 HB1 GLU 21 -9.546 8.471 6.140 61 1HG GLU 21 HG2 GLU 21 -10.791 9.248 8.358 62 2HG GLU 21 HG1 GLU 21 -12.188 8.660 7.456 63 H LYS 22 HN LYS 22 -7.663 11.067 6.254 64 HA LYS 22 HA LYS 22 -7.267 12.313 3.814 65 1HB LYS 22 HB2 LYS 22 -4.849 11.409 4.080 66 2HB LYS 22 HB1 LYS 22 -5.480 12.527 5.280 67 1HG LYS 22 HG2 LYS 22 -5.917 9.678 5.861 68 2HG LYS 22 HG1 LYS 22 -4.234 10.212 5.868 69 1HD LYS 22 HD2 LYS 22 -4.521 11.536 7.692 70 2HD LYS 22 HD1 LYS 22 -6.188 11.936 7.269 71 1HE LYS 22 HE2 LYS 22 -5.529 9.148 8.097 72 2HE LYS 22 HE1 LYS 22 -5.644 10.400 9.333 73 1HZ LYS 22 HZ1 LYS 22 -7.773 9.474 9.168 74 2HZ LYS 22 HZ2 LYS 22 -7.751 9.467 7.476 75 3HZ LYS 22 HZ3 LYS 22 -7.880 10.931 8.314 76 H LEU 23 HN LEU 23 -7.488 11.612 1.797 77 HA LEU 23 HA LEU 23 -7.362 8.728 1.287 78 1HB LEU 23 HB2 LEU 23 -8.262 10.656 -0.796 79 2HB LEU 23 HB1 LEU 23 -8.787 9.013 -0.496 80 HG LEU 23 HG LEU 23 -9.507 10.835 1.671 81 1HD1 LEU 23 HD11 LEU 23 -9.755 12.510 0.027 82 2HD1 LEU 23 HD12 LEU 23 -11.369 11.862 0.313 83 3HD1 LEU 23 HD13 LEU 23 -10.467 11.379 -1.124 84 1HD2 LEU 23 HD21 LEU 23 -11.624 9.515 0.175 85 2HD2 LEU 23 HD22 LEU 23 -11.184 9.378 1.878 86 3HD2 LEU 23 HD23 LEU 23 -10.341 8.410 0.668 87 H VAL 24 HN VAL 24 -6.071 7.849 -0.306 88 HA VAL 24 HA VAL 24 -3.939 9.620 -1.291 89 HB VAL 24 HB VAL 24 -2.805 7.262 -1.716 90 1HG1 VAL 24 HG11 VAL 24 -1.448 7.720 0.070 91 2HG1 VAL 24 HG12 VAL 24 -2.795 8.125 1.133 92 3HG1 VAL 24 HG13 VAL 24 -2.274 9.269 -0.104 93 1HG2 VAL 24 HG21 VAL 24 -4.574 5.829 -1.009 94 2HG2 VAL 24 HG22 VAL 24 -4.765 6.710 0.507 95 3HG2 VAL 24 HG23 VAL 24 -3.316 5.747 0.225 96 H GLN 25 HN GLN 25 -3.057 9.050 -3.478 97 HA GLN 25 HA GLN 25 -5.152 7.889 -5.193 98 1HB GLN 25 HB2 GLN 25 -5.205 10.326 -5.356 99 2HB GLN 25 HB1 GLN 25 -3.494 10.348 -5.754 100 1HG GLN 25 HG2 GLN 25 -4.222 10.427 -7.864 101 2HG GLN 25 HG1 GLN 25 -4.437 8.689 -7.669 102 1HE2 GLN 25 HE21 GLN 25 -6.598 8.052 -6.744 103 2HE2 GLN 25 HE22 GLN 25 -7.981 8.895 -7.345 104 HA PRO 26 HA PRO 26 -1.372 5.465 -6.112 105 1HB PRO 26 HB2 PRO 26 -3.416 3.696 -7.309 106 2HB PRO 26 HB1 PRO 26 -2.157 3.317 -6.132 107 1HG PRO 26 HG2 PRO 26 -4.722 3.439 -5.406 108 2HG PRO 26 HG1 PRO 26 -3.439 4.035 -4.335 109 1HD PRO 26 HD2 PRO 26 -5.291 5.580 -6.118 110 2HD PRO 26 HD1 PRO 26 -4.776 5.934 -4.454 111 H THR 27 HN THR 27 -0.254 5.244 -8.017 112 HA THR 27 HA THR 27 -0.985 6.819 -10.219 113 HB THR 27 HB THR 27 0.859 5.305 -11.359 114 HG1 THR 27 HG1 THR 27 1.254 3.704 -10.029 115 1HG2 THR 27 HG21 THR 27 1.244 7.324 -9.199 116 2HG2 THR 27 HG22 THR 27 1.547 7.459 -10.931 117 3HG2 THR 27 HG23 THR 27 2.632 6.507 -9.917 118 HA PRO 28 HA PRO 28 -3.562 4.544 -12.964 119 1HB PRO 28 HB2 PRO 28 -1.246 4.283 -14.839 120 2HB PRO 28 HB1 PRO 28 -2.899 4.819 -15.163 121 1HG PRO 28 HG2 PRO 28 -0.919 6.586 -14.964 122 2HG PRO 28 HG1 PRO 28 -2.524 6.939 -14.297 123 1HD PRO 28 HD2 PRO 28 -0.003 6.216 -12.890 124 2HD PRO 28 HD1 PRO 28 -1.339 7.255 -12.356 125 H LEU 29 HN LEU 29 -0.306 3.254 -12.501 126 HA LEU 29 HA LEU 29 -0.935 0.599 -13.322 127 1HB LEU 29 HB2 LEU 29 1.352 1.359 -13.370 128 2HB LEU 29 HB1 LEU 29 1.319 1.712 -11.653 129 HG LEU 29 HG LEU 29 1.283 -0.610 -11.088 130 1HD1 LEU 29 HD11 LEU 29 0.380 -0.913 -13.857 131 2HD1 LEU 29 HD12 LEU 29 0.057 -1.910 -12.439 132 3HD1 LEU 29 HD13 LEU 29 1.560 -2.118 -13.339 133 1HD2 LEU 29 HD21 LEU 29 3.473 0.281 -11.603 134 2HD2 LEU 29 HD22 LEU 29 3.252 -0.093 -13.312 135 3HD2 LEU 29 HD23 LEU 29 3.369 -1.398 -12.132 136 H LEU 30 HN LEU 30 -0.194 1.891 -10.073 137 HA LEU 30 HA LEU 30 -1.000 -0.330 -8.617 138 1HB LEU 30 HB2 LEU 30 0.231 1.676 -7.747 139 2HB LEU 30 HB1 LEU 30 -1.293 2.542 -7.741 140 HG LEU 30 HG LEU 30 -2.185 1.154 -6.023 141 1HD1 LEU 30 HD11 LEU 30 -1.610 -1.024 -6.417 142 2HD1 LEU 30 HD12 LEU 30 -0.523 -0.650 -5.080 143 3HD1 LEU 30 HD13 LEU 30 0.081 -0.637 -6.737 144 1HD2 LEU 30 HD21 LEU 30 0.596 1.418 -5.014 145 2HD2 LEU 30 HD22 LEU 30 -0.930 1.902 -4.273 146 3HD2 LEU 30 HD23 LEU 30 -0.229 2.877 -5.565 147 H LEU 31 HN LEU 31 -2.867 2.329 -9.922 148 HA LEU 31 HA LEU 31 -5.279 2.080 -8.634 149 1HB LEU 31 HB2 LEU 31 -4.329 3.178 -11.130 150 2HB LEU 31 HB1 LEU 31 -5.930 2.494 -11.333 151 HG LEU 31 HG LEU 31 -5.145 4.614 -9.334 152 1HD1 LEU 31 HD11 LEU 31 -5.247 5.620 -11.455 153 2HD1 LEU 31 HD12 LEU 31 -6.812 5.943 -10.709 154 3HD1 LEU 31 HD13 LEU 31 -6.659 4.675 -11.926 155 1HD2 LEU 31 HD21 LEU 31 -7.078 4.312 -8.265 156 2HD2 LEU 31 HD22 LEU 31 -7.161 2.749 -9.077 157 3HD2 LEU 31 HD23 LEU 31 -7.980 4.148 -9.771 158 H SER 32 HN SER 32 -4.654 0.595 -11.822 159 HA SER 32 HA SER 32 -6.854 -1.019 -12.002 160 1HB SER 32 HB2 SER 32 -4.090 -1.169 -13.087 161 2HB SER 32 HB1 SER 32 -5.064 -2.635 -13.194 162 HG SER 32 HG SER 32 -6.012 -0.110 -14.048 163 H LEU 33 HN LEU 33 -3.845 -1.726 -10.246 164 HA LEU 33 HA LEU 33 -4.328 -4.395 -9.618 165 1HB LEU 33 HB2 LEU 33 -3.182 -2.593 -7.532 166 2HB LEU 33 HB1 LEU 33 -2.707 -4.215 -7.970 167 HG LEU 33 HG LEU 33 -2.066 -1.667 -9.438 168 1HD1 LEU 33 HD11 LEU 33 0.125 -2.020 -8.821 169 2HD1 LEU 33 HD12 LEU 33 -0.117 -3.747 -8.554 170 3HD1 LEU 33 HD13 LEU 33 -0.744 -2.578 -7.391 171 1HD2 LEU 33 HD21 LEU 33 -0.710 -3.546 -10.801 172 2HD2 LEU 33 HD22 LEU 33 -2.288 -2.933 -11.294 173 3HD2 LEU 33 HD23 LEU 33 -2.170 -4.451 -10.404 174 H LEU 34 HN LEU 34 -5.639 -1.457 -8.257 175 HA LEU 34 HA LEU 34 -6.999 -2.766 -6.084 176 1HB LEU 34 HB2 LEU 34 -7.693 -0.055 -7.198 177 2HB LEU 34 HB1 LEU 34 -7.909 -0.643 -5.563 178 HG LEU 34 HG LEU 34 -5.243 -0.037 -6.838 179 1HD1 LEU 34 HD11 LEU 34 -5.491 1.700 -4.798 180 2HD1 LEU 34 HD12 LEU 34 -7.172 1.586 -5.318 181 3HD1 LEU 34 HD13 LEU 34 -5.926 2.076 -6.465 182 1HD2 LEU 34 HD21 LEU 34 -4.634 -0.132 -4.305 183 2HD2 LEU 34 HD22 LEU 34 -4.746 -1.623 -5.242 184 3HD2 LEU 34 HD23 LEU 34 -6.079 -1.138 -4.194 185 H LYS 35 HN LYS 35 -7.712 -1.673 -9.330 186 HA LYS 35 HA LYS 35 -10.478 -1.933 -9.390 187 1HB LYS 35 HB2 LYS 35 -8.304 -2.132 -11.430 188 2HB LYS 35 HB1 LYS 35 -9.923 -2.615 -11.892 189 1HG LYS 35 HG2 LYS 35 -9.286 -0.249 -12.427 190 2HG LYS 35 HG1 LYS 35 -10.779 -0.450 -11.517 191 1HD LYS 35 HD2 LYS 35 -9.497 0.015 -9.432 192 2HD LYS 35 HD1 LYS 35 -8.089 0.369 -10.435 193 1HE LYS 35 HE2 LYS 35 -10.698 1.852 -10.284 194 2HE LYS 35 HE1 LYS 35 -9.075 2.456 -9.950 195 1HZ LYS 35 HZ1 LYS 35 -10.115 1.648 -12.613 196 2HZ LYS 35 HZ2 LYS 35 -8.546 2.200 -12.302 197 3HZ LYS 35 HZ3 LYS 35 -9.865 3.236 -12.085 198 H SER 36 HN SER 36 -7.956 -4.347 -9.554 199 HA SER 36 HA SER 36 -9.872 -6.473 -10.112 200 1HB SER 36 HB2 SER 36 -7.172 -6.098 -10.747 201 2HB SER 36 HB1 SER 36 -7.174 -7.375 -9.531 202 HG SER 36 HG SER 36 -8.903 -7.410 -11.768 203 H ALA 37 HN ALA 37 -8.217 -5.021 -7.463 204 HA ALA 37 HA ALA 37 -8.545 -7.305 -5.710 205 1HB ALA 37 HB1 ALA 37 -7.437 -4.539 -5.304 206 2HB ALA 37 HB2 ALA 37 -6.572 -6.075 -5.325 207 3HB ALA 37 HB3 ALA 37 -7.644 -5.685 -3.980 208 H GLY 38 HN GLY 38 -10.754 -5.326 -6.930 209 1HA GLY 38 HA2 GLY 38 -12.994 -5.286 -6.146 210 2HA GLY 38 HA1 GLY 38 -12.394 -5.463 -4.503 211 H ALA 39 HN ALA 39 -11.237 -3.165 -6.903 212 HA ALA 39 HA ALA 39 -12.232 -0.993 -5.185 213 1HB ALA 39 HB1 ALA 39 -9.648 -1.525 -5.637 214 2HB ALA 39 HB2 ALA 39 -10.259 0.100 -5.352 215 3HB ALA 39 HB3 ALA 39 -9.964 -0.451 -7.000 216 H GLN 40 HN GLN 40 -13.124 0.898 -6.235 217 HA GLN 40 HA GLN 40 -13.686 0.516 -9.102 218 1HB GLN 40 HB2 GLN 40 -15.567 0.398 -7.185 219 2HB GLN 40 HB1 GLN 40 -15.564 2.132 -7.473 220 1HG GLN 40 HG2 GLN 40 -17.229 1.239 -8.868 221 2HG GLN 40 HG1 GLN 40 -15.862 1.611 -9.917 222 1HE2 GLN 40 HE21 GLN 40 -17.985 -0.205 -10.472 223 2HE2 GLN 40 HE22 GLN 40 -17.289 -1.776 -10.652 224 H LYS 41 HN LYS 41 -14.051 3.169 -6.740 225 HA LYS 41 HA LYS 41 -13.677 5.267 -8.479 226 1HB LYS 41 HB2 LYS 41 -12.936 6.581 -6.479 227 2HB LYS 41 HB1 LYS 41 -14.441 5.702 -6.257 228 1HG LYS 41 HG2 LYS 41 -11.957 4.333 -5.423 229 2HG LYS 41 HG1 LYS 41 -12.488 5.709 -4.455 230 1HD LYS 41 HD2 LYS 41 -14.823 4.412 -4.702 231 2HD LYS 41 HD1 LYS 41 -13.715 3.042 -4.802 232 1HE LYS 41 HE2 LYS 41 -12.620 3.965 -2.707 233 2HE LYS 41 HE1 LYS 41 -14.014 5.036 -2.571 234 1HZ LYS 41 HZ1 LYS 41 -13.937 2.089 -2.383 235 2HZ LYS 41 HZ2 LYS 41 -15.379 2.909 -2.712 236 3HZ LYS 41 HZ3 LYS 41 -14.552 3.203 -1.267 237 H GLU 42 HN GLU 42 -11.739 6.882 -8.209 238 HA GLU 42 HA GLU 42 -9.386 5.425 -9.117 239 1HB GLU 42 HB2 GLU 42 -10.163 8.337 -9.197 240 2HB GLU 42 HB1 GLU 42 -8.571 7.767 -9.681 241 1HG GLU 42 HG2 GLU 42 -11.190 6.941 -10.915 242 2HG GLU 42 HG1 GLU 42 -10.035 8.085 -11.598 243 H THR 43 HN THR 43 -10.451 7.378 -6.431 244 HA THR 43 HA THR 43 -7.736 7.280 -5.296 245 HB THR 43 HB THR 43 -9.733 8.918 -3.896 246 HG1 THR 43 HG1 THR 43 -10.436 9.437 -5.924 247 1HG2 THR 43 HG21 THR 43 -6.891 9.133 -4.688 248 2HG2 THR 43 HG22 THR 43 -7.667 9.434 -3.133 249 3HG2 THR 43 HG23 THR 43 -7.796 10.624 -4.429 250 H PHE 44 HN PHE 44 -7.479 6.704 -3.082 251 HA PHE 44 HA PHE 44 -9.718 5.496 -1.694 252 1HB PHE 44 HB2 PHE 44 -7.291 3.845 -2.423 253 2HB PHE 44 HB1 PHE 44 -8.652 3.315 -1.443 254 HD1 PHE 44 HD1 PHE 44 -7.588 4.257 -4.838 255 HD2 PHE 44 HD2 PHE 44 -10.654 2.541 -2.436 256 HE1 PHE 44 HE1 PHE 44 -8.706 3.426 -6.866 257 HE2 PHE 44 HE2 PHE 44 -11.780 1.715 -4.463 258 HZ PHE 44 HZ PHE 44 -10.807 2.157 -6.680 259 H THR 45 HN THR 45 -9.339 5.192 0.517 260 HA THR 45 HA THR 45 -7.253 6.843 1.612 261 HB THR 45 HB THR 45 -8.237 6.108 3.816 262 HG1 THR 45 HG1 THR 45 -9.325 4.323 3.673 263 1HG2 THR 45 HG21 THR 45 -9.938 7.593 3.747 264 2HG2 THR 45 HG22 THR 45 -10.567 6.974 2.220 265 3HG2 THR 45 HG23 THR 45 -9.150 8.023 2.229 266 H MET 46 HN MET 46 -5.648 6.110 3.126 267 HA MET 46 HA MET 46 -4.031 4.108 2.308 268 1HB MET 46 HB2 MET 46 -4.089 5.845 4.475 269 2HB MET 46 HB1 MET 46 -3.989 4.249 5.209 270 1HG MET 46 HG2 MET 46 -1.774 4.820 4.937 271 2HG MET 46 HG1 MET 46 -2.106 3.838 3.511 272 1HE MET 46 HE1 MET 46 -1.848 4.309 1.399 273 2HE MET 46 HE2 MET 46 -0.208 4.922 1.622 274 3HE MET 46 HE3 MET 46 -1.354 5.815 0.622 275 H LYS 47 HN LYS 47 -6.716 3.757 4.589 276 HA LYS 47 HA LYS 47 -6.229 1.091 5.318 277 1HB LYS 47 HB2 LYS 47 -7.929 2.833 6.256 278 2HB LYS 47 HB1 LYS 47 -9.013 2.169 5.044 279 1HG LYS 47 HG2 LYS 47 -9.373 1.111 7.190 280 2HG LYS 47 HG1 LYS 47 -8.745 -0.054 6.022 281 1HD LYS 47 HD2 LYS 47 -6.759 1.389 7.678 282 2HD LYS 47 HD1 LYS 47 -7.766 0.196 8.498 283 1HE LYS 47 HE2 LYS 47 -6.992 -1.063 6.155 284 2HE LYS 47 HE1 LYS 47 -5.554 -0.183 6.667 285 1HZ LYS 47 HZ1 LYS 47 -5.863 -1.220 8.894 286 2HZ LYS 47 HZ2 LYS 47 -5.494 -2.321 7.665 287 3HZ LYS 47 HZ3 LYS 47 -7.082 -2.188 8.230 288 H GLU 48 HN GLU 48 -8.552 2.346 2.916 289 HA GLU 48 HA GLU 48 -9.309 -0.118 1.852 290 1HB GLU 48 HB2 GLU 48 -9.105 2.433 0.260 291 2HB GLU 48 HB1 GLU 48 -10.205 1.089 -0.004 292 1HG GLU 48 HG2 GLU 48 -10.631 2.018 2.629 293 2HG GLU 48 HG1 GLU 48 -10.579 3.426 1.570 294 H VAL 49 HN VAL 49 -6.796 2.136 0.719 295 HA VAL 49 HA VAL 49 -5.887 0.707 -1.477 296 HB VAL 49 HB VAL 49 -4.041 2.206 0.378 297 1HG1 VAL 49 HG11 VAL 49 -3.783 2.479 -2.527 298 2HG1 VAL 49 HG12 VAL 49 -3.507 0.847 -1.920 299 3HG1 VAL 49 HG13 VAL 49 -2.552 2.193 -1.298 300 1HG2 VAL 49 HG21 VAL 49 -5.101 4.119 -0.006 301 2HG2 VAL 49 HG22 VAL 49 -6.379 3.226 -0.828 302 3HG2 VAL 49 HG23 VAL 49 -5.012 3.854 -1.747 303 H LEU 50 HN LEU 50 -4.298 0.741 1.712 304 HA LEU 50 HA LEU 50 -2.594 -1.404 1.292 305 1HB LEU 50 HB2 LEU 50 -3.187 0.302 3.382 306 2HB LEU 50 HB1 LEU 50 -3.621 -1.269 4.024 307 HG LEU 50 HG LEU 50 -0.931 -0.478 2.915 308 1HD1 LEU 50 HD11 LEU 50 -1.338 -1.385 5.706 309 2HD1 LEU 50 HD12 LEU 50 -1.861 0.247 5.292 310 3HD1 LEU 50 HD13 LEU 50 -0.181 -0.230 5.045 311 1HD2 LEU 50 HD21 LEU 50 -1.511 -2.830 2.449 312 2HD2 LEU 50 HD22 LEU 50 -1.775 -3.081 4.175 313 3HD2 LEU 50 HD23 LEU 50 -0.167 -2.667 3.580 314 H TYR 51 HN TYR 51 -5.991 -1.386 1.935 315 HA TYR 51 HA TYR 51 -6.181 -4.085 2.854 316 1HB TYR 51 HB2 TYR 51 -7.877 -2.339 3.369 317 2HB TYR 51 HB1 TYR 51 -8.356 -2.344 1.676 318 HD1 TYR 51 HD1 TYR 51 -8.004 -4.630 4.602 319 HD2 TYR 51 HD2 TYR 51 -10.060 -3.762 0.979 320 HE1 TYR 51 HE1 TYR 51 -9.580 -6.460 5.065 321 HE2 TYR 51 HE2 TYR 51 -11.642 -5.589 1.433 322 HH TYR 51 HH TYR 51 -12.217 -6.879 4.206 323 H HIS 52 HN HIS 52 -7.093 -2.537 -0.250 324 HA HIS 52 HA HIS 52 -7.826 -4.849 -1.596 325 1HB HIS 52 HB2 HIS 52 -6.326 -2.718 -3.077 326 2HB HIS 52 HB1 HIS 52 -7.728 -3.645 -3.581 327 HD1 HIS 52 HD1 HIS 52 -9.847 -3.050 -1.651 328 HD2 HIS 52 HD2 HIS 52 -7.103 -0.151 -2.804 329 HE1 HIS 52 HE1 HIS 52 -10.964 -0.845 -1.190 330 HE2 HIS 52 HE2 HIS 52 -9.317 0.894 -1.972 331 H LEU 53 HN LEU 53 -4.605 -3.376 -1.295 332 HA LEU 53 HA LEU 53 -3.117 -4.948 -2.931 333 1HB LEU 53 HB2 LEU 53 -2.673 -3.192 -0.760 334 2HB LEU 53 HB1 LEU 53 -1.710 -4.628 -0.464 335 HG LEU 53 HG LEU 53 -0.547 -4.372 -2.511 336 1HD1 LEU 53 HD11 LEU 53 -2.789 -2.618 -3.209 337 2HD1 LEU 53 HD12 LEU 53 -1.817 -3.688 -4.223 338 3HD1 LEU 53 HD13 LEU 53 -1.203 -2.094 -3.777 339 1HD2 LEU 53 HD21 LEU 53 0.802 -2.792 -1.707 340 2HD2 LEU 53 HD22 LEU 53 -0.413 -2.528 -0.457 341 3HD2 LEU 53 HD23 LEU 53 -0.423 -1.541 -1.918 342 H GLY 54 HN GLY 54 -4.014 -5.685 0.442 343 1HA GLY 54 HA2 GLY 54 -2.716 -8.145 0.665 344 2HA GLY 54 HA1 GLY 54 -4.180 -7.705 1.536 345 H GLN 55 HN GLN 55 -5.764 -7.296 -0.838 346 HA GLN 55 HA GLN 55 -6.469 -10.060 -1.349 347 1HB GLN 55 HB2 GLN 55 -7.735 -7.431 -2.116 348 2HB GLN 55 HB1 GLN 55 -8.355 -8.981 -2.668 349 1HG GLN 55 HG2 GLN 55 -9.030 -9.614 -0.545 350 2HG GLN 55 HG1 GLN 55 -7.957 -8.461 0.247 351 1HE2 GLN 55 HE21 GLN 55 -8.465 -6.137 -0.208 352 2HE2 GLN 55 HE22 GLN 55 -10.133 -5.686 -0.239 353 H TYR 56 HN TYR 56 -4.931 -7.401 -2.973 354 HA TYR 56 HA TYR 56 -5.154 -8.346 -5.633 355 1HB TYR 56 HB2 TYR 56 -4.614 -6.035 -5.281 356 2HB TYR 56 HB1 TYR 56 -3.217 -6.451 -4.297 357 HD1 TYR 56 HD1 TYR 56 -4.542 -6.442 -7.747 358 HD2 TYR 56 HD2 TYR 56 -1.108 -6.882 -5.280 359 HE1 TYR 56 HE1 TYR 56 -3.112 -6.370 -9.743 360 HE2 TYR 56 HE2 TYR 56 0.338 -6.802 -7.268 361 HH TYR 56 HH TYR 56 -0.880 -5.954 -10.398 362 H ILE 57 HN ILE 57 -2.681 -8.725 -3.129 363 HA ILE 57 HA ILE 57 -0.867 -10.190 -4.755 364 HB ILE 57 HB ILE 57 -1.067 -10.151 -1.742 365 1HG1 ILE 57 HG12 ILE 57 0.544 -8.414 -3.625 366 2HG1 ILE 57 HG11 ILE 57 -0.838 -7.892 -2.668 367 1HG2 ILE 57 HG21 ILE 57 0.465 -11.789 -3.341 368 2HG2 ILE 57 HG22 ILE 57 0.783 -11.395 -1.652 369 3HG2 ILE 57 HG23 ILE 57 1.567 -10.473 -2.935 370 1HD1 ILE 57 HD11 ILE 57 1.551 -7.374 -1.845 371 2HD1 ILE 57 HD12 ILE 57 1.558 -9.061 -1.329 372 3HD1 ILE 57 HD13 ILE 57 0.348 -7.948 -0.691 373 H MET 58 HN MET 58 -3.080 -11.221 -2.147 374 HA MET 58 HA MET 58 -2.606 -13.959 -2.361 375 1HB MET 58 HB2 MET 58 -4.664 -14.279 -1.142 376 2HB MET 58 HB1 MET 58 -3.829 -12.874 -0.496 377 1HG MET 58 HG2 MET 58 -5.727 -11.763 -0.716 378 2HG MET 58 HG1 MET 58 -5.487 -11.840 -2.460 379 1HE MET 58 HE1 MET 58 -6.837 -13.470 0.645 380 2HE MET 58 HE2 MET 58 -8.305 -14.305 0.136 381 3HE MET 58 HE3 MET 58 -8.259 -12.542 0.166 382 H ALA 59 HN ALA 59 -4.645 -11.850 -4.262 383 HA ALA 59 HA ALA 59 -6.119 -13.934 -5.545 384 1HB ALA 59 HB1 ALA 59 -7.252 -11.938 -5.649 385 2HB ALA 59 HB2 ALA 59 -6.508 -11.978 -7.247 386 3HB ALA 59 HB3 ALA 59 -5.792 -11.000 -5.965 387 H LYS 60 HN LYS 60 -3.572 -11.738 -6.757 388 HA LYS 60 HA LYS 60 -3.154 -13.140 -9.164 389 1HB LYS 60 HB2 LYS 60 -1.776 -11.000 -7.647 390 2HB LYS 60 HB1 LYS 60 -0.795 -11.885 -8.805 391 1HG LYS 60 HG2 LYS 60 -1.856 -9.781 -9.647 392 2HG LYS 60 HG1 LYS 60 -2.156 -11.223 -10.615 393 1HD LYS 60 HD2 LYS 60 -4.287 -10.458 -10.532 394 2HD LYS 60 HD1 LYS 60 -4.297 -11.315 -8.992 395 1HE LYS 60 HE2 LYS 60 -3.432 -9.061 -8.032 396 2HE LYS 60 HE1 LYS 60 -4.066 -8.383 -9.530 397 1HZ LYS 60 HZ1 LYS 60 -6.232 -9.076 -8.993 398 2HZ LYS 60 HZ2 LYS 60 -5.620 -8.392 -7.572 399 3HZ LYS 60 HZ3 LYS 60 -5.703 -10.073 -7.733 400 H GLN 61 HN GLN 61 -2.114 -13.725 -5.937 401 HA GLN 61 HA GLN 61 -1.009 -15.488 -5.013 402 1HB GLN 61 HB2 GLN 61 -2.044 -16.711 -7.053 403 2HB GLN 61 HB1 GLN 61 -0.427 -16.615 -7.736 404 1HG GLN 61 HG2 GLN 61 0.270 -18.327 -6.518 405 2HG GLN 61 HG1 GLN 61 -0.338 -17.599 -5.032 406 1HE2 GLN 61 HE21 GLN 61 -2.942 -17.588 -5.194 407 2HE2 GLN 61 HE22 GLN 61 -3.596 -19.167 -5.447 408 H LEU 62 HN LEU 62 0.380 -13.289 -5.073 409 HA LEU 62 HA LEU 62 2.926 -13.697 -6.420 410 1HB LEU 62 HB2 LEU 62 2.244 -11.470 -4.519 411 2HB LEU 62 HB1 LEU 62 3.492 -11.494 -5.748 412 HG LEU 62 HG LEU 62 0.535 -11.121 -6.082 413 1HD1 LEU 62 HD11 LEU 62 1.380 -9.246 -7.518 414 2HD1 LEU 62 HD12 LEU 62 3.003 -9.633 -6.946 415 3HD1 LEU 62 HD13 LEU 62 1.766 -9.109 -5.803 416 1HD2 LEU 62 HD21 LEU 62 1.254 -11.160 -8.616 417 2HD2 LEU 62 HD22 LEU 62 0.746 -12.632 -7.788 418 3HD2 LEU 62 HD23 LEU 62 2.461 -12.297 -8.019 419 H TYR 63 HN TYR 63 1.526 -14.563 -3.484 420 HA TYR 63 HA TYR 63 3.882 -14.340 -1.850 421 1HB TYR 63 HB2 TYR 63 2.572 -15.487 -0.149 422 2HB TYR 63 HB1 TYR 63 1.612 -14.208 -0.884 423 HD1 TYR 63 HD1 TYR 63 2.147 -17.871 -0.816 424 HD2 TYR 63 HD2 TYR 63 -0.428 -14.691 -1.983 425 HE1 TYR 63 HE1 TYR 63 0.374 -19.499 -1.322 426 HE2 TYR 63 HE2 TYR 63 -2.207 -16.310 -2.492 427 HH TYR 63 HH TYR 63 -2.483 -19.140 -1.413 428 H ASP 64 HN ASP 64 5.075 -16.099 -0.976 429 HA ASP 64 HA ASP 64 5.527 -18.205 -2.902 430 1HB ASP 64 HB2 ASP 64 7.402 -17.018 -1.776 431 2HB ASP 64 HB1 ASP 64 6.889 -17.718 -0.244 432 H GLU 65 HN GLU 65 5.292 -20.405 -2.563 433 HA GLU 65 HA GLU 65 3.113 -21.223 -0.974 434 1HB GLU 65 HB2 GLU 65 5.141 -22.575 -2.675 435 2HB GLU 65 HB1 GLU 65 4.292 -23.573 -1.503 436 1HG GLU 65 HG2 GLU 65 2.147 -22.772 -2.456 437 2HG GLU 65 HG1 GLU 65 3.066 -21.924 -3.699 438 H LYS 66 HN LYS 66 6.616 -21.660 -0.570 439 HA LYS 66 HA LYS 66 6.527 -23.172 1.786 440 1HB LYS 66 HB2 LYS 66 8.620 -21.251 0.757 441 2HB LYS 66 HB1 LYS 66 8.856 -22.287 2.157 442 1HG LYS 66 HG2 LYS 66 8.454 -24.256 0.704 443 2HG LYS 66 HG1 LYS 66 8.378 -23.166 -0.681 444 1HD LYS 66 HD2 LYS 66 10.585 -23.541 -0.843 445 2HD LYS 66 HD1 LYS 66 10.718 -22.407 0.503 446 1HE LYS 66 HE2 LYS 66 10.217 -24.688 1.847 447 2HE LYS 66 HE1 LYS 66 11.061 -25.337 0.442 448 1HZ LYS 66 HZ1 LYS 66 12.069 -23.707 2.619 449 2HZ LYS 66 HZ2 LYS 66 12.646 -23.296 1.083 450 3HZ LYS 66 HZ3 LYS 66 12.862 -24.866 1.675 451 H GLN 67 HN GLN 67 6.982 -19.663 1.376 452 HA GLN 67 HA GLN 67 6.016 -19.314 4.138 453 1HB GLN 67 HB2 GLN 67 7.330 -17.001 3.725 454 2HB GLN 67 HB1 GLN 67 8.082 -18.419 4.436 455 1HG GLN 67 HG2 GLN 67 8.173 -17.823 1.493 456 2HG GLN 67 HG1 GLN 67 9.385 -17.248 2.634 457 1HE2 GLN 67 HE21 GLN 67 10.409 -18.683 0.743 458 2HE2 GLN 67 HE22 GLN 67 10.772 -20.297 1.241 459 H GLN 68 HN GLN 68 4.149 -18.288 4.315 460 HA GLN 68 HA GLN 68 2.917 -17.096 2.003 461 1HB GLN 68 HB2 GLN 68 2.060 -17.731 4.791 462 2HB GLN 68 HB1 GLN 68 1.127 -16.560 3.871 463 1HG GLN 68 HG2 GLN 68 0.002 -18.454 3.330 464 2HG GLN 68 HG1 GLN 68 1.202 -18.449 2.038 465 1HE2 GLN 68 HE21 GLN 68 1.806 -20.451 1.655 466 2HE2 GLN 68 HE22 GLN 68 2.197 -21.643 2.842 467 H HIS 69 HN HIS 69 4.857 -15.962 4.570 468 HA HIS 69 HA HIS 69 3.815 -13.250 4.405 469 1HB HIS 69 HB2 HIS 69 5.220 -12.726 6.267 470 2HB HIS 69 HB1 HIS 69 4.461 -14.276 6.603 471 HD1 HIS 69 HD1 HIS 69 7.784 -12.864 5.460 472 HD2 HIS 69 HD2 HIS 69 6.201 -16.299 7.183 473 HE1 HIS 69 HE1 HIS 69 9.767 -14.272 6.101 474 HE2 HIS 69 HE2 HIS 69 8.782 -16.384 7.056 475 H ILE 70 HN ILE 70 5.498 -14.831 2.305 476 HA ILE 70 HA ILE 70 7.406 -12.641 1.801 477 HB ILE 70 HB ILE 70 7.730 -15.573 1.135 478 1HG1 ILE 70 HG12 ILE 70 8.277 -15.044 3.448 479 2HG1 ILE 70 HG11 ILE 70 9.755 -15.372 2.547 480 1HG2 ILE 70 HG21 ILE 70 10.101 -14.470 0.476 481 2HG2 ILE 70 HG22 ILE 70 9.009 -13.161 0.022 482 3HG2 ILE 70 HG23 ILE 70 8.802 -14.766 -0.680 483 1HD1 ILE 70 HD11 ILE 70 10.446 -13.512 3.601 484 2HD1 ILE 70 HD12 ILE 70 8.812 -12.881 3.796 485 3HD1 ILE 70 HD13 ILE 70 9.640 -12.720 2.248 486 H VAL 71 HN VAL 71 7.322 -11.683 -0.160 487 HA VAL 71 HA VAL 71 5.551 -12.872 -2.192 488 HB VAL 71 HB VAL 71 5.793 -9.906 -1.707 489 1HG1 VAL 71 HG11 VAL 71 4.278 -9.621 -3.368 490 2HG1 VAL 71 HG12 VAL 71 3.448 -11.138 -3.021 491 3HG1 VAL 71 HG13 VAL 71 4.963 -11.149 -3.925 492 1HG2 VAL 71 HG21 VAL 71 4.064 -11.926 -0.399 493 2HG2 VAL 71 HG22 VAL 71 3.303 -10.412 -0.888 494 3HG2 VAL 71 HG23 VAL 71 4.680 -10.391 0.214 495 H HIS 72 HN HIS 72 6.988 -13.574 -3.685 496 HA HIS 72 HA HIS 72 8.860 -11.572 -4.753 497 1HB HIS 72 HB2 HIS 72 10.530 -13.280 -5.122 498 2HB HIS 72 HB1 HIS 72 10.053 -13.305 -3.428 499 HD1 HIS 72 HD1 HIS 72 7.963 -15.191 -3.046 500 HD2 HIS 72 HD2 HIS 72 10.683 -15.766 -6.134 501 HE1 HIS 72 HE1 HIS 72 7.819 -17.635 -3.623 502 HE2 HIS 72 HE2 HIS 72 9.535 -17.976 -5.436 503 H CYS 73 HN CYS 73 7.757 -10.973 -6.533 504 HA CYS 73 HA CYS 73 7.269 -13.063 -8.540 505 1HB CYS 73 HB2 CYS 73 5.222 -11.786 -7.276 506 2HB CYS 73 HB1 CYS 73 5.478 -10.719 -8.653 507 HG CYS 73 HG CYS 73 4.262 -13.505 -8.762 508 H SER 74 HN SER 74 8.933 -12.675 -9.908 509 HA SER 74 HA SER 74 9.994 -10.112 -10.423 510 1HB SER 74 HB2 SER 74 10.347 -12.827 -11.581 511 2HB SER 74 HB1 SER 74 10.843 -11.462 -12.581 512 HG SER 74 HG SER 74 12.439 -11.045 -11.244 513 H ASN 75 HN ASN 75 7.746 -12.118 -12.335 514 HA ASN 75 HA ASN 75 7.309 -9.732 -13.990 515 1HB ASN 75 HB2 ASN 75 7.618 -12.350 -14.743 516 2HB ASN 75 HB1 ASN 75 5.864 -12.199 -14.704 517 1HD2 ASN 75 HD21 ASN 75 7.018 -12.718 -17.057 518 2HD2 ASN 75 HD22 ASN 75 6.975 -11.332 -18.087 519 H ASP 76 HN ASP 76 6.079 -8.532 -12.627 520 HA ASP 76 HA ASP 76 3.283 -9.180 -12.582 521 1HB ASP 76 HB2 ASP 76 4.738 -10.063 -10.382 522 2HB ASP 76 HB1 ASP 76 4.008 -8.558 -9.832 523 HA PRO 77 HA PRO 77 2.983 -4.797 -13.015 524 1HB PRO 77 HB2 PRO 77 0.580 -4.941 -11.299 525 2HB PRO 77 HB1 PRO 77 0.758 -4.325 -12.940 526 1HG PRO 77 HG2 PRO 77 -0.450 -6.680 -12.358 527 2HG PRO 77 HG1 PRO 77 0.365 -6.346 -13.892 528 1HD PRO 77 HD2 PRO 77 1.201 -8.071 -11.656 529 2HD PRO 77 HD1 PRO 77 1.672 -8.112 -13.362 530 H LEU 78 HN LEU 78 2.698 -6.354 -9.890 531 HA LEU 78 HA LEU 78 3.008 -3.989 -8.328 532 1HB LEU 78 HB2 LEU 78 2.193 -6.490 -7.766 533 2HB LEU 78 HB1 LEU 78 3.852 -6.602 -7.215 534 HG LEU 78 HG LEU 78 3.506 -4.766 -5.664 535 1HD1 LEU 78 HD11 LEU 78 1.051 -4.029 -5.369 536 2HD1 LEU 78 HD12 LEU 78 0.849 -4.592 -7.028 537 3HD1 LEU 78 HD13 LEU 78 2.006 -3.310 -6.665 538 1HD2 LEU 78 HD21 LEU 78 3.041 -6.788 -4.631 539 2HD2 LEU 78 HD22 LEU 78 1.590 -7.063 -5.595 540 3HD2 LEU 78 HD23 LEU 78 1.582 -5.848 -4.317 541 H GLY 79 HN GLY 79 5.214 -6.582 -9.346 542 1HA GLY 79 HA2 GLY 79 7.509 -5.624 -8.036 543 2HA GLY 79 HA1 GLY 79 7.506 -6.668 -9.451 544 H GLU 80 HN GLU 80 6.168 -4.886 -11.217 545 HA GLU 80 HA GLU 80 8.397 -3.308 -12.048 546 1HB GLU 80 HB2 GLU 80 7.227 -2.937 -14.017 547 2HB GLU 80 HB1 GLU 80 6.569 -4.477 -13.487 548 1HG GLU 80 HG2 GLU 80 4.582 -3.543 -13.828 549 2HG GLU 80 HG1 GLU 80 4.868 -2.696 -12.309 550 H LEU 81 HN LEU 81 5.556 -2.728 -10.167 551 HA LEU 81 HA LEU 81 5.567 0.128 -10.468 552 1HB LEU 81 HB2 LEU 81 3.504 -1.067 -9.966 553 2HB LEU 81 HB1 LEU 81 4.190 -1.669 -8.471 554 HG LEU 81 HG LEU 81 4.318 0.663 -7.630 555 1HD1 LEU 81 HD11 LEU 81 3.662 2.483 -8.808 556 2HD1 LEU 81 HD12 LEU 81 2.465 1.586 -9.743 557 3HD1 LEU 81 HD13 LEU 81 4.174 1.475 -10.162 558 1HD2 LEU 81 HD21 LEU 81 2.411 -0.827 -7.125 559 2HD2 LEU 81 HD22 LEU 81 1.557 -0.159 -8.516 560 3HD2 LEU 81 HD23 LEU 81 1.966 0.879 -7.150 561 H PHE 82 HN PHE 82 6.152 -1.981 -7.652 562 HA PHE 82 HA PHE 82 7.334 0.063 -6.093 563 1HB PHE 82 HB2 PHE 82 7.504 -2.947 -5.841 564 2HB PHE 82 HB1 PHE 82 8.088 -1.813 -4.628 565 HD1 PHE 82 HD1 PHE 82 5.902 0.202 -4.715 566 HD2 PHE 82 HD2 PHE 82 5.781 -4.051 -4.729 567 HE1 PHE 82 HE1 PHE 82 3.664 0.267 -3.698 568 HE2 PHE 82 HE2 PHE 82 3.542 -3.994 -3.711 569 HZ PHE 82 HZ PHE 82 2.480 -1.833 -3.194 570 H GLY 83 HN GLY 83 8.596 -2.121 -8.483 571 1HA GLY 83 HA2 GLY 83 10.632 -1.870 -9.606 572 2HA GLY 83 HA1 GLY 83 11.159 -0.753 -8.355 573 H VAL 84 HN VAL 84 9.820 -3.845 -7.498 574 HA VAL 84 HA VAL 84 12.511 -4.922 -7.033 575 HB VAL 84 HB VAL 84 11.833 -5.759 -4.820 576 1HG1 VAL 84 HG11 VAL 84 11.806 -2.809 -5.347 577 2HG1 VAL 84 HG12 VAL 84 13.099 -3.810 -4.686 578 3HG1 VAL 84 HG13 VAL 84 11.679 -3.443 -3.706 579 1HG2 VAL 84 HG21 VAL 84 9.544 -5.950 -4.758 580 2HG2 VAL 84 HG22 VAL 84 9.283 -4.393 -5.544 581 3HG2 VAL 84 HG23 VAL 84 9.774 -4.455 -3.851 582 H GLN 85 HN GLN 85 12.464 -7.279 -6.526 583 HA GLN 85 HA GLN 85 10.311 -8.583 -8.052 584 1HB GLN 85 HB2 GLN 85 13.087 -9.655 -7.538 585 2HB GLN 85 HB1 GLN 85 11.881 -10.312 -8.636 586 1HG GLN 85 HG2 GLN 85 13.102 -7.584 -8.950 587 2HG GLN 85 HG1 GLN 85 13.738 -9.038 -9.717 588 1HE2 GLN 85 HE21 GLN 85 11.223 -6.672 -9.701 589 2HE2 GLN 85 HE22 GLN 85 10.470 -7.152 -11.180 590 H GLU 86 HN GLU 86 11.920 -8.439 -4.999 591 HA GLU 86 HA GLU 86 9.991 -10.284 -3.881 592 1HB GLU 86 HB2 GLU 86 11.662 -11.715 -2.810 593 2HB GLU 86 HB1 GLU 86 11.791 -11.795 -4.561 594 1HG GLU 86 HG2 GLU 86 13.622 -10.032 -4.328 595 2HG GLU 86 HG1 GLU 86 13.612 -10.435 -2.611 596 H PHE 87 HN PHE 87 9.534 -9.876 -1.767 597 HA PHE 87 HA PHE 87 11.299 -8.380 -0.075 598 1HB PHE 87 HB2 PHE 87 9.921 -6.407 0.205 599 2HB PHE 87 HB1 PHE 87 10.345 -6.578 -1.494 600 HD1 PHE 87 HD1 PHE 87 7.680 -6.392 0.913 601 HD2 PHE 87 HD2 PHE 87 8.640 -7.462 -3.093 602 HE1 PHE 87 HE1 PHE 87 5.296 -6.278 0.316 603 HE2 PHE 87 HE2 PHE 87 6.257 -7.349 -3.698 604 HZ PHE 87 HZ PHE 87 4.582 -6.756 -1.993 605 H SER 88 HN SER 88 10.732 -8.513 2.076 606 HA SER 88 HA SER 88 8.600 -10.407 2.675 607 1HB SER 88 HB2 SER 88 10.480 -9.235 4.709 608 2HB SER 88 HB1 SER 88 9.675 -10.803 4.723 609 HG SER 88 HG SER 88 11.021 -11.239 2.788 610 H VAL 89 HN VAL 89 6.682 -9.814 3.442 611 HA VAL 89 HA VAL 89 5.943 -7.126 3.754 612 HB VAL 89 HB VAL 89 3.904 -8.173 4.996 613 1HG1 VAL 89 HG11 VAL 89 3.267 -9.168 2.589 614 2HG1 VAL 89 HG12 VAL 89 4.684 -8.212 2.154 615 3HG1 VAL 89 HG13 VAL 89 3.313 -7.443 2.952 616 1HG2 VAL 89 HG21 VAL 89 3.765 -10.388 5.225 617 2HG2 VAL 89 HG22 VAL 89 5.499 -10.427 4.904 618 3HG2 VAL 89 HG23 VAL 89 4.351 -10.674 3.587 619 H LYS 90 HN LYS 90 7.535 -9.221 5.924 620 HA LYS 90 HA LYS 90 6.629 -8.478 8.416 621 1HB LYS 90 HB2 LYS 90 9.318 -9.270 7.369 622 2HB LYS 90 HB1 LYS 90 9.172 -8.728 9.035 623 1HG LYS 90 HG2 LYS 90 8.354 -10.684 9.681 624 2HG LYS 90 HG1 LYS 90 7.137 -10.669 8.404 625 1HD LYS 90 HD2 LYS 90 8.342 -12.532 7.816 626 2HD LYS 90 HD1 LYS 90 9.186 -11.294 6.883 627 1HE LYS 90 HE2 LYS 90 11.063 -11.454 8.125 628 2HE LYS 90 HE1 LYS 90 10.172 -11.705 9.626 629 1HZ LYS 90 HZ1 LYS 90 11.140 -13.740 9.327 630 2HZ LYS 90 HZ2 LYS 90 11.056 -13.676 7.639 631 3HZ LYS 90 HZ3 LYS 90 9.664 -14.001 8.542 632 H GLU 91 HN GLU 91 8.450 -6.604 6.128 633 HA GLU 91 HA GLU 91 8.985 -4.524 8.116 634 1HB GLU 91 HB2 GLU 91 9.889 -4.865 5.254 635 2HB GLU 91 HB1 GLU 91 10.253 -3.446 6.227 636 1HG GLU 91 HG2 GLU 91 11.296 -5.065 7.894 637 2HG GLU 91 HG1 GLU 91 11.205 -6.262 6.603 638 H HIS 92 HN HIS 92 6.759 -3.925 8.369 639 HA HIS 92 HA HIS 92 5.082 -3.096 6.284 640 1HB HIS 92 HB2 HIS 92 5.135 -2.165 9.162 641 2HB HIS 92 HB1 HIS 92 3.804 -1.912 8.038 642 HD1 HIS 92 HD1 HIS 92 3.974 -3.682 10.802 643 HD2 HIS 92 HD2 HIS 92 3.683 -5.022 6.879 644 HE1 HIS 92 HE1 HIS 92 2.988 -5.991 10.951 645 HE2 HIS 92 HE2 HIS 92 2.902 -6.815 8.572 646 H ARG 93 HN ARG 93 7.501 -1.352 8.157 647 HA ARG 93 HA ARG 93 6.899 1.252 7.361 648 1HB ARG 93 HB2 ARG 93 8.490 0.723 9.150 649 2HB ARG 93 HB1 ARG 93 9.607 0.050 7.970 650 1HG ARG 93 HG2 ARG 93 10.423 2.053 7.448 651 2HG ARG 93 HG1 ARG 93 8.816 2.770 7.325 652 1HD ARG 93 HD2 ARG 93 9.349 3.901 9.174 653 2HD ARG 93 HD1 ARG 93 9.109 2.379 10.031 654 HE ARG 93 HE ARG 93 11.622 3.681 9.448 655 1HH1 ARG 93 HH11 ARG 93 10.047 0.702 10.367 656 2HH1 ARG 93 HH12 ARG 93 11.472 0.026 11.081 657 1HH2 ARG 93 HH21 ARG 93 13.493 2.790 10.388 658 2HH2 ARG 93 HH22 ARG 93 13.426 1.209 11.094 659 H ARG 94 HN ARG 94 8.515 -1.325 5.662 660 HA ARG 94 HA ARG 94 9.695 0.306 3.642 661 1HB ARG 94 HB2 ARG 94 9.288 -2.606 4.083 662 2HB ARG 94 HB1 ARG 94 9.573 -2.076 2.431 663 1HG ARG 94 HG2 ARG 94 11.404 -1.063 4.530 664 2HG ARG 94 HG1 ARG 94 11.543 -2.759 4.061 665 1HD ARG 94 HD2 ARG 94 11.715 -2.022 1.690 666 2HD ARG 94 HD1 ARG 94 11.739 -0.352 2.256 667 HE ARG 94 HE ARG 94 13.749 -1.832 3.565 668 1HH1 ARG 94 HH11 ARG 94 12.981 -0.483 0.440 669 2HH1 ARG 94 HH12 ARG 94 14.638 -0.286 -0.022 670 1HH2 ARG 94 HH21 ARG 94 15.930 -1.575 2.960 671 2HH2 ARG 94 HH22 ARG 94 16.313 -0.907 1.408 672 H ILE 95 HN ILE 95 6.950 -1.974 3.496 673 HA ILE 95 HA ILE 95 6.040 -1.333 0.966 674 HB ILE 95 HB ILE 95 4.364 -2.129 3.351 675 1HG1 ILE 95 HG12 ILE 95 4.858 -4.207 1.412 676 2HG1 ILE 95 HG11 ILE 95 6.385 -3.537 1.978 677 1HG2 ILE 95 HG21 ILE 95 3.738 -1.732 0.491 678 2HG2 ILE 95 HG22 ILE 95 2.706 -1.578 1.913 679 3HG2 ILE 95 HG23 ILE 95 3.067 -3.173 1.253 680 1HD1 ILE 95 HD11 ILE 95 4.893 -5.482 3.219 681 2HD1 ILE 95 HD12 ILE 95 4.526 -4.027 4.145 682 3HD1 ILE 95 HD13 ILE 95 6.200 -4.545 3.944 683 H TYR 96 HN TYR 96 4.916 0.046 4.060 684 HA TYR 96 HA TYR 96 3.048 1.836 3.123 685 1HB TYR 96 HB2 TYR 96 3.891 1.287 5.554 686 2HB TYR 96 HB1 TYR 96 4.909 2.701 5.303 687 HD1 TYR 96 HD1 TYR 96 3.940 4.921 5.150 688 HD2 TYR 96 HD2 TYR 96 1.473 1.503 5.727 689 HE1 TYR 96 HE1 TYR 96 2.070 6.386 5.784 690 HE2 TYR 96 HE2 TYR 96 -0.404 2.958 6.362 691 HH TYR 96 HH TYR 96 -0.084 6.096 7.237 692 H ALA 97 HN ALA 97 6.556 2.226 3.280 693 HA ALA 97 HA ALA 97 6.515 4.938 2.352 694 1HB ALA 97 HB1 ALA 97 8.378 4.439 3.654 695 2HB ALA 97 HB2 ALA 97 9.021 4.449 2.012 696 3HB ALA 97 HB3 ALA 97 8.677 2.917 2.816 697 H MET 98 HN MET 98 7.053 1.771 0.890 698 HA MET 98 HA MET 98 7.928 2.578 -1.630 699 1HB MET 98 HB2 MET 98 6.292 0.175 -0.807 700 2HB MET 98 HB1 MET 98 6.955 0.390 -2.420 701 1HG MET 98 HG2 MET 98 9.173 0.761 -0.937 702 2HG MET 98 HG1 MET 98 8.284 -0.363 0.089 703 1HE MET 98 HE1 MET 98 7.276 -2.541 -0.719 704 2HE MET 98 HE2 MET 98 7.837 -3.481 -2.101 705 3HE MET 98 HE3 MET 98 6.708 -2.148 -2.341 706 H ILE 99 HN ILE 99 4.606 1.600 -0.765 707 HA ILE 99 HA ILE 99 3.394 2.432 -3.134 708 HB ILE 99 HB ILE 99 1.278 2.551 -1.767 709 1HG1 ILE 99 HG12 ILE 99 2.052 1.229 0.559 710 2HG1 ILE 99 HG11 ILE 99 3.255 2.502 0.373 711 1HG2 ILE 99 HG21 ILE 99 3.051 0.132 -1.770 712 2HG2 ILE 99 HG22 ILE 99 1.695 0.513 -2.831 713 3HG2 ILE 99 HG23 ILE 99 1.401 0.071 -1.149 714 1HD1 ILE 99 HD11 ILE 99 0.325 2.715 0.829 715 2HD1 ILE 99 HD12 ILE 99 1.170 4.016 -0.012 716 3HD1 ILE 99 HD13 ILE 99 1.656 3.557 1.621 717 H SER 100 HN SER 100 4.287 4.236 -0.278 718 HA SER 100 HA SER 100 2.716 6.511 -0.583 719 1HB SER 100 HB2 SER 100 4.167 6.013 1.384 720 2HB SER 100 HB1 SER 100 5.574 6.434 0.408 721 HG SER 100 HG SER 100 3.406 8.145 1.067 722 H ARG 101 HN ARG 101 5.901 5.785 -1.971 723 HA ARG 101 HA ARG 101 6.096 8.271 -3.361 724 1HB ARG 101 HB2 ARG 101 7.600 5.727 -3.972 725 2HB ARG 101 HB1 ARG 101 8.083 7.373 -4.358 726 1HG ARG 101 HG2 ARG 101 8.543 7.873 -2.098 727 2HG ARG 101 HG1 ARG 101 7.734 6.409 -1.535 728 1HD ARG 101 HD2 ARG 101 9.561 5.158 -1.843 729 2HD ARG 101 HD1 ARG 101 9.878 5.862 -3.428 730 HE ARG 101 HE ARG 101 11.357 7.320 -2.455 731 1HH1 ARG 101 HH11 ARG 101 9.447 5.797 0.039 732 2HH1 ARG 101 HH12 ARG 101 10.413 6.422 1.333 733 1HH2 ARG 101 HH21 ARG 101 12.627 8.142 -0.754 734 2HH2 ARG 101 HH22 ARG 101 12.218 7.754 0.884 735 H ASN 102 HN ASN 102 4.380 5.397 -3.964 736 HA ASN 102 HA ASN 102 4.280 5.885 -6.849 737 1HB ASN 102 HB2 ASN 102 3.232 3.576 -5.200 738 2HB ASN 102 HB1 ASN 102 3.118 3.698 -6.954 739 1HD2 ASN 102 HD21 ASN 102 4.351 1.557 -5.775 740 2HD2 ASN 102 HD22 ASN 102 6.049 1.622 -6.087 741 H LEU 103 HN LEU 103 2.999 7.703 -4.997 742 HA LEU 103 HA LEU 103 0.212 7.358 -5.886 743 1HB LEU 103 HB2 LEU 103 1.166 8.482 -3.251 744 2HB LEU 103 HB1 LEU 103 -0.495 8.522 -3.810 745 HG LEU 103 HG LEU 103 0.821 5.863 -3.683 746 1HD1 LEU 103 HD11 LEU 103 -0.398 6.610 -1.150 747 2HD1 LEU 103 HD12 LEU 103 1.077 7.511 -1.499 748 3HD1 LEU 103 HD13 LEU 103 1.105 5.748 -1.476 749 1HD2 LEU 103 HD21 LEU 103 -1.295 5.358 -4.153 750 2HD2 LEU 103 HD22 LEU 103 -1.845 6.994 -3.787 751 3HD2 LEU 103 HD23 LEU 103 -1.681 5.808 -2.492 752 H VAL 104 HN VAL 104 -0.054 8.802 -7.468 753 HA VAL 104 HA VAL 104 1.445 11.087 -7.916 754 HB VAL 104 HB VAL 104 -0.489 11.874 -9.327 755 1HG1 VAL 104 HG11 VAL 104 1.363 10.389 -10.112 756 2HG1 VAL 104 HG12 VAL 104 -0.144 10.222 -11.013 757 3HG1 VAL 104 HG13 VAL 104 0.305 9.010 -9.813 758 1HG2 VAL 104 HG21 VAL 104 -1.778 9.599 -7.939 759 2HG2 VAL 104 HG22 VAL 104 -2.122 9.783 -9.658 760 3HG2 VAL 104 HG23 VAL 104 -2.474 11.102 -8.542 761 H SER 105 HN SER 105 -1.835 10.959 -6.497 762 HA SER 105 HA SER 105 -1.340 13.624 -5.359 763 1HB SER 105 HB2 SER 105 -3.281 13.802 -6.661 764 2HB SER 105 HB1 SER 105 -3.862 12.208 -6.184 765 HG SER 105 HG SER 105 -5.052 13.679 -5.048 766 H ALA 106 HN ALA 106 -0.623 13.490 -3.334 767 HA ALA 106 HA ALA 106 -1.808 11.454 -1.562 768 1HB ALA 106 HB1 ALA 106 0.446 10.940 -1.606 769 2HB ALA 106 HB2 ALA 106 0.328 11.969 -0.179 770 3HB ALA 106 HB3 ALA 106 0.937 12.631 -1.696 771 H ASN 107 HN ASN 107 -3.291 12.284 -0.251 772 HA ASN 107 HA ASN 107 -3.367 15.087 0.381 773 1HB ASN 107 HB2 ASN 107 -5.076 12.717 1.078 774 2HB ASN 107 HB1 ASN 107 -5.299 14.252 1.912 775 1HD2 ASN 107 HD21 ASN 107 -5.463 12.609 -1.159 776 2HD2 ASN 107 HD22 ASN 107 -6.461 13.775 -1.952 777 H VAL 108 HN VAL 108 -2.409 16.057 2.037 778 HA VAL 108 HA VAL 108 -1.535 14.400 4.311 779 HB VAL 108 HB VAL 108 0.244 15.491 2.763 780 1HG1 VAL 108 HG11 VAL 108 0.879 17.750 3.321 781 2HG1 VAL 108 HG12 VAL 108 -0.432 17.862 4.497 782 3HG1 VAL 108 HG13 VAL 108 -0.799 17.734 2.776 783 1HG2 VAL 108 HG21 VAL 108 1.773 15.638 4.582 784 2HG2 VAL 108 HG22 VAL 108 0.599 14.385 4.984 785 3HG2 VAL 108 HG23 VAL 108 0.475 15.981 5.725 786 H LYS 109 HN LYS 109 -1.395 15.512 6.389 787 HA LYS 109 HA LYS 109 -3.478 17.579 6.642 788 1HB LYS 109 HB2 LYS 109 -3.228 15.067 7.910 789 2HB LYS 109 HB1 LYS 109 -2.895 16.278 9.141 790 1HG LYS 109 HG2 LYS 109 -5.288 16.569 7.380 791 2HG LYS 109 HG1 LYS 109 -5.324 15.456 8.750 792 1HD LYS 109 HD2 LYS 109 -5.351 17.127 10.270 793 2HD LYS 109 HD1 LYS 109 -4.262 18.143 9.325 794 1HE LYS 109 HE2 LYS 109 -6.085 19.386 8.932 795 2HE LYS 109 HE1 LYS 109 -6.501 18.128 7.769 796 1HZ LYS 109 HZ1 LYS 109 -8.156 18.883 9.656 797 2HZ LYS 109 HZ2 LYS 109 -7.309 17.722 10.548 798 3HZ LYS 109 HZ3 LYS 109 -8.097 17.280 9.117 799 H GLU 110 HN GLU 110 -3.158 19.284 8.116 800 HA GLU 110 HA GLU 110 -0.436 20.155 8.313 801 1HB GLU 110 HB2 GLU 110 -2.994 21.360 9.383 802 2HB GLU 110 HB1 GLU 110 -1.424 22.149 9.431 803 1HG GLU 110 HG2 GLU 110 -1.643 21.499 6.793 804 2HG GLU 110 HG1 GLU 110 -3.315 21.853 7.227 805 H SER 111 HN SER 111 -2.831 18.851 10.524 806 HA SER 111 HA SER 111 -1.236 19.335 12.870 807 1HB SER 111 HB2 SER 111 -3.792 17.820 12.359 808 2HB SER 111 HB1 SER 111 -2.992 17.786 13.930 809 HG SER 111 HG SER 111 -3.079 20.179 13.746 810 H SER 112 HN SER 112 0.406 18.136 13.541 811 HA SER 112 HA SER 112 0.448 15.275 12.880 812 1HB SER 112 HB2 SER 112 3.031 16.775 12.848 813 2HB SER 112 HB1 SER 112 2.571 15.314 11.976 814 HG SER 112 HG SER 112 2.381 17.918 11.217 815 H GLU 113 HN GLU 113 1.293 13.944 14.438 816 HA GLU 113 HA GLU 113 1.278 14.853 17.101 817 1HB GLU 113 HB2 GLU 113 2.446 12.304 15.969 818 2HB GLU 113 HB1 GLU 113 2.105 12.603 17.668 819 1HG GLU 113 HG2 GLU 113 -0.315 13.080 16.740 820 2HG GLU 113 HG1 GLU 113 0.244 12.048 15.425 821 H ASP 114 HN ASP 114 3.072 14.671 18.655 822 HA ASP 114 HA ASP 114 5.532 15.758 17.483 823 1HB ASP 114 HB2 ASP 114 4.321 15.939 20.237 824 2HB ASP 114 HB1 ASP 114 5.993 16.395 19.926 825 H ILE 115 HN ILE 115 7.518 14.851 17.854 826 HA ILE 115 HA ILE 115 7.526 12.225 19.140 827 HB ILE 115 HB ILE 115 9.393 13.260 17.011 828 1HG1 ILE 115 HG12 ILE 115 7.144 12.847 16.140 829 2HG1 ILE 115 HG11 ILE 115 8.273 11.637 15.554 830 1HG2 ILE 115 HG21 ILE 115 9.737 10.594 17.019 831 2HG2 ILE 115 HG22 ILE 115 9.385 10.860 18.727 832 3HG2 ILE 115 HG23 ILE 115 10.730 11.706 17.962 833 1HD1 ILE 115 HD11 ILE 115 5.996 11.348 17.421 834 2HD1 ILE 115 HD12 ILE 115 7.390 10.286 17.626 835 3HD1 ILE 115 HD13 ILE 115 6.516 10.309 16.095 836 H PHE 116 HN PHE 116 8.147 12.607 21.139 837 HA PHE 116 HA PHE 116 10.497 14.297 21.631 838 1HB PHE 116 HB2 PHE 116 9.667 14.004 24.094 839 2HB PHE 116 HB1 PHE 116 8.842 15.131 23.022 840 HD1 PHE 116 HD1 PHE 116 6.624 15.181 23.626 841 HD2 PHE 116 HD2 PHE 116 8.608 11.426 23.362 842 HE1 PHE 116 HE1 PHE 116 4.493 14.029 24.056 843 HE2 PHE 116 HE2 PHE 116 6.481 10.267 23.791 844 HZ PHE 116 HZ PHE 116 4.419 11.569 24.138 845 H GLY 117 HN GLY 117 10.650 11.574 20.610 846 1HA GLY 117 HA2 GLY 117 12.462 10.086 21.017 847 2HA GLY 117 HA1 GLY 117 12.368 10.484 22.726 848 H ASN 118 HN ASN 118 9.639 9.613 20.679 849 HA ASN 118 HA ASN 118 9.271 7.211 22.341 850 1HB ASN 118 HB2 ASN 118 6.855 7.394 21.632 851 2HB ASN 118 HB1 ASN 118 7.433 8.706 22.656 852 1HD2 ASN 118 HD21 ASN 118 5.324 9.469 21.538 853 2HD2 ASN 118 HD22 ASN 118 5.559 10.419 20.115 854 H VAL 119 HN VAL 119 9.988 5.466 21.305 855 HA VAL 119 HA VAL 119 10.238 3.849 19.722 856 HB VAL 119 HB VAL 119 8.007 5.212 18.215 857 1HG1 VAL 119 HG11 VAL 119 8.922 3.605 16.804 858 2HG1 VAL 119 HG12 VAL 119 7.593 2.748 17.585 859 3HG1 VAL 119 HG13 VAL 119 9.251 2.488 18.129 860 1HG2 VAL 119 HG21 VAL 119 6.774 3.199 19.499 861 2HG2 VAL 119 HG22 VAL 119 6.850 4.847 20.123 862 3HG2 VAL 119 HG23 VAL 119 7.985 3.629 20.706 863 H30 IMY 120 1H30 IMY 120 2.011 -14.395 7.874 864 1H30 IMY 120 2H30 IMY 120 3.702 -14.086 7.316 865 2H30 IMY 120 3H30 IMY 120 2.990 -15.699 7.189 866 H26 IMY 120 H26 IMY 120 2.102 -12.144 7.444 867 H25 IMY 120 H25 IMY 120 0.799 -10.169 6.918 868 H31 IMY 120 H31 IMY 120 -0.589 -13.783 2.045 869 1H32 IMY 120 1H32 IMY 120 -0.733 -11.254 0.277 870 2H32 IMY 120 2H32 IMY 120 -0.842 -12.929 -0.288 871 3H32 IMY 120 3H32 IMY 120 -2.144 -12.212 0.681 872 1H33 IMY 120 1H33 IMY 120 1.680 -13.020 2.507 873 2H33 IMY 120 2H33 IMY 120 1.470 -13.265 0.765 874 3H33 IMY 120 3H33 IMY 120 1.483 -11.624 1.459 875 H28 IMY 120 H28 IMY 120 0.863 -14.013 3.804 876 H4 IMY 120 H4 IMY 120 -1.950 -7.498 5.786 877 H3 IMY 120 H3 IMY 120 -2.643 -7.528 3.550 878 H18 IMY 120 H18 IMY 120 0.664 -8.937 2.388 879 H17 IMY 120 H17 IMY 120 2.045 -7.891 0.675 880 H15 IMY 120 H15 IMY 120 -0.519 -4.497 0.558 881 H14 IMY 120 H14 IMY 120 -1.948 -5.480 2.310 882 H20 IMY 120 H20 IMY 120 -2.202 -5.152 6.171 883 H21 IMY 120 H21 IMY 120 -1.149 -2.992 6.604 884 H23 IMY 120 H23 IMY 120 2.565 -4.449 5.003 885 H24 IMY 120 H24 IMY 120 1.585 -6.659 4.697 Start of MODEL 10 1 1H ASN 13 HT1 ASN 13 -0.058 3.118 21.082 2 2H ASN 13 HT2 ASN 13 0.621 4.684 20.909 3 3H ASN 13 HT3 ASN 13 1.230 3.376 19.981 4 HA ASN 13 HA ASN 13 -1.324 4.788 19.745 5 1HB ASN 13 HB2 ASN 13 1.204 4.525 18.264 6 2HB ASN 13 HB1 ASN 13 -0.234 4.376 17.258 7 1HD2 ASN 13 HD21 ASN 13 0.959 6.394 19.926 8 2HD2 ASN 13 HD22 ASN 13 0.429 7.893 19.252 9 H HIS 14 HN HIS 14 -2.391 2.780 20.552 10 HA HIS 14 HA HIS 14 -2.562 0.733 18.441 11 1HB HIS 14 HB2 HIS 14 -2.527 0.569 21.382 12 2HB HIS 14 HB1 HIS 14 -3.750 -0.431 20.606 13 HD1 HIS 14 HD1 HIS 14 -0.059 0.255 19.924 14 HD2 HIS 14 HD2 HIS 14 -2.755 -2.896 20.184 15 HE1 HIS 14 HE1 HIS 14 1.286 -1.820 19.465 16 HE2 HIS 14 HE2 HIS 14 -0.350 -3.721 19.712 17 H ILE 15 HN ILE 15 -4.576 0.074 17.707 18 HA ILE 15 HA ILE 15 -7.003 1.098 18.861 19 HB ILE 15 HB ILE 15 -7.703 2.190 16.663 20 1HG1 ILE 15 HG12 ILE 15 -4.880 2.903 16.160 21 2HG1 ILE 15 HG11 ILE 15 -5.326 1.254 15.732 22 1HG2 ILE 15 HG21 ILE 15 -7.221 4.243 17.526 23 2HG2 ILE 15 HG22 ILE 15 -5.547 3.822 17.889 24 3HG2 ILE 15 HG23 ILE 15 -6.847 3.247 18.933 25 1HD1 ILE 15 HD11 ILE 15 -7.377 2.699 14.661 26 2HD1 ILE 15 HD12 ILE 15 -5.951 2.138 13.788 27 3HD1 ILE 15 HD13 ILE 15 -5.998 3.776 14.441 28 H SER 16 HN SER 16 -8.873 0.646 17.141 29 HA SER 16 HA SER 16 -8.349 -1.739 15.566 30 1HB SER 16 HB2 SER 16 -9.938 -3.140 16.687 31 2HB SER 16 HB1 SER 16 -8.850 -2.505 17.922 32 HG SER 16 HG SER 16 -10.544 -1.712 18.852 33 H THR 17 HN THR 17 -9.942 -2.178 14.018 34 HA THR 17 HA THR 17 -11.498 -1.621 12.455 35 HB THR 17 HB THR 17 -13.658 -1.092 13.220 36 HG1 THR 17 HG1 THR 17 -12.575 -0.028 15.608 37 1HG2 THR 17 HG21 THR 17 -12.938 -2.087 15.863 38 2HG2 THR 17 HG22 THR 17 -12.294 -3.050 14.533 39 3HG2 THR 17 HG23 THR 17 -14.029 -2.756 14.649 40 H SER 18 HN SER 18 -13.128 0.519 12.022 41 HA SER 18 HA SER 18 -11.262 2.504 11.168 42 1HB SER 18 HB2 SER 18 -13.242 3.661 10.263 43 2HB SER 18 HB1 SER 18 -13.240 1.953 9.825 44 HG SER 18 HG SER 18 -15.000 3.367 11.379 45 H ASP 19 HN ASP 19 -10.536 4.184 12.280 46 HA ASP 19 HA ASP 19 -12.250 5.637 14.092 47 1HB ASP 19 HB2 ASP 19 -10.380 3.662 15.082 48 2HB ASP 19 HB1 ASP 19 -9.963 5.267 15.675 49 H GLN 20 HN GLN 20 -10.721 6.093 11.615 50 HA GLN 20 HA GLN 20 -8.884 8.189 12.562 51 1HB GLN 20 HB2 GLN 20 -7.552 6.758 11.299 52 2HB GLN 20 HB1 GLN 20 -8.840 6.397 10.161 53 1HG GLN 20 HG2 GLN 20 -8.585 8.489 9.078 54 2HG GLN 20 HG1 GLN 20 -7.505 9.083 10.339 55 1HE2 GLN 20 HE21 GLN 20 -5.589 9.341 9.427 56 2HE2 GLN 20 HE22 GLN 20 -4.763 8.171 8.461 57 H GLU 21 HN GLU 21 -9.044 10.250 11.712 58 HA GLU 21 HA GLU 21 -11.543 10.806 10.272 59 1HB GLU 21 HB2 GLU 21 -9.917 12.402 12.224 60 2HB GLU 21 HB1 GLU 21 -11.030 13.206 11.126 61 1HG GLU 21 HG2 GLU 21 -12.831 11.697 12.015 62 2HG GLU 21 HG1 GLU 21 -11.679 11.177 13.245 63 H LYS 22 HN LYS 22 -8.103 11.117 10.154 64 HA LYS 22 HA LYS 22 -8.193 12.908 7.856 65 1HB LYS 22 HB2 LYS 22 -5.771 11.664 9.164 66 2HB LYS 22 HB1 LYS 22 -5.793 13.021 8.046 67 1HG LYS 22 HG2 LYS 22 -7.398 13.371 10.485 68 2HG LYS 22 HG1 LYS 22 -5.652 13.265 10.724 69 1HD LYS 22 HD2 LYS 22 -5.327 15.057 9.081 70 2HD LYS 22 HD1 LYS 22 -7.075 15.166 8.860 71 1HE LYS 22 HE2 LYS 22 -5.708 15.557 11.515 72 2HE LYS 22 HE1 LYS 22 -6.064 16.880 10.404 73 1HZ LYS 22 HZ1 LYS 22 -8.446 15.714 10.553 74 2HZ LYS 22 HZ2 LYS 22 -7.958 16.957 11.591 75 3HZ LYS 22 HZ3 LYS 22 -7.858 15.346 12.097 76 H LEU 23 HN LEU 23 -7.069 12.359 5.866 77 HA LEU 23 HA LEU 23 -6.963 9.461 5.361 78 1HB LEU 23 HB2 LEU 23 -7.776 11.278 3.152 79 2HB LEU 23 HB1 LEU 23 -8.204 9.603 3.438 80 HG LEU 23 HG LEU 23 -9.385 11.070 5.538 81 1HD1 LEU 23 HD11 LEU 23 -9.186 13.131 4.396 82 2HD1 LEU 23 HD12 LEU 23 -10.850 12.594 4.169 83 3HD1 LEU 23 HD13 LEU 23 -9.678 12.412 2.863 84 1HD2 LEU 23 HD21 LEU 23 -11.103 10.362 3.273 85 2HD2 LEU 23 HD22 LEU 23 -11.170 9.846 4.958 86 3HD2 LEU 23 HD23 LEU 23 -10.061 9.056 3.838 87 H VAL 24 HN VAL 24 -5.738 8.935 3.328 88 HA VAL 24 HA VAL 24 -3.475 10.790 2.997 89 HB VAL 24 HB VAL 24 -2.249 8.553 2.331 90 1HG1 VAL 24 HG11 VAL 24 -2.676 8.968 5.262 91 2HG1 VAL 24 HG12 VAL 24 -1.901 10.216 4.285 92 3HG1 VAL 24 HG13 VAL 24 -1.188 8.606 4.389 93 1HG2 VAL 24 HG21 VAL 24 -4.042 7.005 2.518 94 2HG2 VAL 24 HG22 VAL 24 -4.485 7.605 4.116 95 3HG2 VAL 24 HG23 VAL 24 -2.981 6.709 3.896 96 H GLN 25 HN GLN 25 -2.313 10.503 0.873 97 HA GLN 25 HA GLN 25 -4.273 9.885 -1.238 98 1HB GLN 25 HB2 GLN 25 -3.722 12.291 -1.001 99 2HB GLN 25 HB1 GLN 25 -2.038 11.914 -1.337 100 1HG GLN 25 HG2 GLN 25 -2.601 12.431 -3.439 101 2HG GLN 25 HG1 GLN 25 -3.226 10.783 -3.475 102 1HE2 GLN 25 HE21 GLN 25 -4.251 14.030 -2.474 103 2HE2 GLN 25 HE22 GLN 25 -5.855 13.904 -3.101 104 HA PRO 26 HA PRO 26 -1.029 6.746 -2.010 105 1HB PRO 26 HB2 PRO 26 -3.162 5.786 -3.830 106 2HB PRO 26 HB1 PRO 26 -2.253 4.901 -2.602 107 1HG PRO 26 HG2 PRO 26 -4.805 5.556 -2.199 108 2HG PRO 26 HG1 PRO 26 -3.627 5.632 -0.874 109 1HD PRO 26 HD2 PRO 26 -4.757 7.854 -2.540 110 2HD PRO 26 HD1 PRO 26 -4.452 7.802 -0.790 111 H THR 27 HN THR 27 0.505 6.924 -3.545 112 HA THR 27 HA THR 27 0.465 8.808 -5.572 113 HB THR 27 HB THR 27 2.315 7.302 -6.596 114 HG1 THR 27 HG1 THR 27 2.389 5.401 -5.743 115 1HG2 THR 27 HG21 THR 27 3.851 7.734 -4.598 116 2HG2 THR 27 HG22 THR 27 2.453 8.527 -3.872 117 3HG2 THR 27 HG23 THR 27 3.111 9.122 -5.396 118 HA PRO 28 HA PRO 28 -1.869 7.460 -9.044 119 1HB PRO 28 HB2 PRO 28 0.701 7.331 -10.569 120 2HB PRO 28 HB1 PRO 28 -0.827 8.105 -11.006 121 1HG PRO 28 HG2 PRO 28 1.228 9.555 -10.129 122 2HG PRO 28 HG1 PRO 28 -0.435 9.947 -9.654 123 1HD PRO 28 HD2 PRO 28 1.740 8.682 -8.068 124 2HD PRO 28 HD1 PRO 28 0.405 9.722 -7.531 125 H LEU 29 HN LEU 29 1.179 5.749 -8.479 126 HA LEU 29 HA LEU 29 0.411 3.400 -9.907 127 1HB LEU 29 HB2 LEU 29 2.764 4.019 -9.517 128 2HB LEU 29 HB1 LEU 29 2.539 3.762 -7.797 129 HG LEU 29 HG LEU 29 2.239 1.405 -8.107 130 1HD1 LEU 29 HD11 LEU 29 1.120 0.844 -9.971 131 2HD1 LEU 29 HD12 LEU 29 2.730 0.724 -10.682 132 3HD1 LEU 29 HD13 LEU 29 1.778 2.193 -10.898 133 1HD2 LEU 29 HD21 LEU 29 4.565 2.464 -8.201 134 2HD2 LEU 29 HD22 LEU 29 4.516 2.107 -9.928 135 3HD2 LEU 29 HD23 LEU 29 4.398 0.798 -8.753 136 H LEU 30 HN LEU 30 0.899 3.953 -6.407 137 HA LEU 30 HA LEU 30 -0.207 1.586 -5.492 138 1HB LEU 30 HB2 LEU 30 0.991 3.425 -4.177 139 2HB LEU 30 HB1 LEU 30 -0.567 4.223 -4.082 140 HG LEU 30 HG LEU 30 -1.492 2.467 -2.763 141 1HD1 LEU 30 HD11 LEU 30 0.318 0.592 -2.143 142 2HD1 LEU 30 HD12 LEU 30 0.804 0.933 -3.803 143 3HD1 LEU 30 HD13 LEU 30 -0.847 0.418 -3.455 144 1HD2 LEU 30 HD21 LEU 30 1.131 2.479 -1.443 145 2HD2 LEU 30 HD22 LEU 30 -0.444 3.006 -0.850 146 3HD2 LEU 30 HD23 LEU 30 0.510 4.071 -1.883 147 H LEU 31 HN LEU 31 -1.747 4.535 -6.541 148 HA LEU 31 HA LEU 31 -4.328 4.225 -5.610 149 1HB LEU 31 HB2 LEU 31 -2.986 5.717 -7.695 150 2HB LEU 31 HB1 LEU 31 -4.586 5.223 -8.214 151 HG LEU 31 HG LEU 31 -3.949 6.822 -5.735 152 1HD1 LEU 31 HD11 LEU 31 -5.656 7.893 -7.887 153 2HD1 LEU 31 HD12 LEU 31 -3.937 7.749 -8.255 154 3HD1 LEU 31 HD13 LEU 31 -4.465 8.702 -6.868 155 1HD2 LEU 31 HD21 LEU 31 -6.059 5.131 -6.063 156 2HD2 LEU 31 HD22 LEU 31 -6.714 6.648 -6.680 157 3HD2 LEU 31 HD23 LEU 31 -6.065 6.569 -5.042 158 H SER 32 HN SER 32 -3.178 3.249 -8.850 159 HA SER 32 HA SER 32 -5.411 1.926 -9.741 160 1HB SER 32 HB2 SER 32 -2.847 0.575 -10.362 161 2HB SER 32 HB1 SER 32 -4.097 1.183 -11.447 162 HG SER 32 HG SER 32 -1.830 2.417 -10.496 163 H LEU 33 HN LEU 33 -2.824 0.602 -7.684 164 HA LEU 33 HA LEU 33 -3.694 -2.053 -7.627 165 1HB LEU 33 HB2 LEU 33 -2.696 -0.919 -5.077 166 2HB LEU 33 HB1 LEU 33 -2.242 -2.392 -5.892 167 HG LEU 33 HG LEU 33 -1.284 0.393 -6.523 168 1HD1 LEU 33 HD11 LEU 33 0.750 -0.235 -5.676 169 2HD1 LEU 33 HD12 LEU 33 0.462 -1.952 -5.958 170 3HD1 LEU 33 HD13 LEU 33 -0.337 -1.133 -4.615 171 1HD2 LEU 33 HD21 LEU 33 0.175 -0.919 -8.197 172 2HD2 LEU 33 HD22 LEU 33 -1.485 -0.531 -8.648 173 3HD2 LEU 33 HD23 LEU 33 -1.080 -2.153 -8.088 174 H LEU 34 HN LEU 34 -4.681 0.743 -5.721 175 HA LEU 34 HA LEU 34 -6.528 -0.669 -4.067 176 1HB LEU 34 HB2 LEU 34 -6.593 2.265 -4.787 177 2HB LEU 34 HB1 LEU 34 -7.313 1.508 -3.383 178 HG LEU 34 HG LEU 34 -4.341 1.463 -3.821 179 1HD1 LEU 34 HD11 LEU 34 -5.327 3.812 -3.852 180 2HD1 LEU 34 HD12 LEU 34 -4.067 3.479 -2.665 181 3HD1 LEU 34 HD13 LEU 34 -5.758 3.525 -2.167 182 1HD2 LEU 34 HD21 LEU 34 -4.551 0.122 -2.046 183 2HD2 LEU 34 HD22 LEU 34 -6.218 0.619 -1.757 184 3HD2 LEU 34 HD23 LEU 34 -4.887 1.597 -1.138 185 H LYS 35 HN LYS 35 -6.781 1.331 -6.960 186 HA LYS 35 HA LYS 35 -9.464 1.411 -7.418 187 1HB LYS 35 HB2 LYS 35 -7.203 1.028 -9.383 188 2HB LYS 35 HB1 LYS 35 -8.845 1.404 -9.871 189 1HG LYS 35 HG2 LYS 35 -6.994 3.112 -8.231 190 2HG LYS 35 HG1 LYS 35 -7.576 3.422 -9.867 191 1HD LYS 35 HD2 LYS 35 -9.925 3.372 -8.809 192 2HD LYS 35 HD1 LYS 35 -9.077 3.562 -7.273 193 1HE LYS 35 HE2 LYS 35 -9.875 5.694 -8.368 194 2HE LYS 35 HE1 LYS 35 -8.170 5.646 -7.922 195 1HZ LYS 35 HZ1 LYS 35 -8.848 6.509 -10.239 196 2HZ LYS 35 HZ2 LYS 35 -9.004 4.873 -10.638 197 3HZ LYS 35 HZ3 LYS 35 -7.514 5.475 -10.109 198 H SER 36 HN SER 36 -7.256 -1.246 -8.183 199 HA SER 36 HA SER 36 -9.425 -2.890 -9.193 200 1HB SER 36 HB2 SER 36 -6.597 -2.821 -9.536 201 2HB SER 36 HB1 SER 36 -7.017 -4.394 -8.860 202 HG SER 36 HG SER 36 -7.159 -3.821 -11.322 203 H ALA 37 HN ALA 37 -7.721 -2.366 -6.245 204 HA ALA 37 HA ALA 37 -8.282 -4.916 -5.065 205 1HB ALA 37 HB1 ALA 37 -6.373 -3.544 -4.360 206 2HB ALA 37 HB2 ALA 37 -7.438 -3.934 -3.010 207 3HB ALA 37 HB3 ALA 37 -7.486 -2.328 -3.735 208 H GLY 38 HN GLY 38 -10.283 -2.387 -5.852 209 1HA GLY 38 HA2 GLY 38 -12.651 -2.700 -5.353 210 2HA GLY 38 HA1 GLY 38 -12.179 -3.144 -3.719 211 H ALA 39 HN ALA 39 -10.741 -0.484 -5.468 212 HA ALA 39 HA ALA 39 -12.050 1.372 -3.599 213 1HB ALA 39 HB1 ALA 39 -10.020 2.014 -2.983 214 2HB ALA 39 HB2 ALA 39 -9.707 2.567 -4.628 215 3HB ALA 39 HB3 ALA 39 -9.290 0.923 -4.152 216 H GLN 40 HN GLN 40 -12.761 3.435 -4.437 217 HA GLN 40 HA GLN 40 -12.886 3.537 -7.378 218 1HB GLN 40 HB2 GLN 40 -14.873 4.614 -5.368 219 2HB GLN 40 HB1 GLN 40 -15.003 4.773 -7.114 220 1HG GLN 40 HG2 GLN 40 -14.737 2.091 -6.863 221 2HG GLN 40 HG1 GLN 40 -15.591 2.489 -5.373 222 1HE2 GLN 40 HE21 GLN 40 -15.688 3.360 -8.816 223 2HE2 GLN 40 HE22 GLN 40 -17.407 3.277 -8.963 224 H LYS 41 HN LYS 41 -13.134 5.707 -4.555 225 HA LYS 41 HA LYS 41 -12.507 8.068 -5.900 226 1HB LYS 41 HB2 LYS 41 -11.960 8.988 -3.677 227 2HB LYS 41 HB1 LYS 41 -13.471 8.092 -3.675 228 1HG LYS 41 HG2 LYS 41 -11.014 6.616 -2.932 229 2HG LYS 41 HG1 LYS 41 -11.639 7.803 -1.786 230 1HD LYS 41 HD2 LYS 41 -13.922 6.545 -2.376 231 2HD LYS 41 HD1 LYS 41 -12.792 5.223 -2.671 232 1HE LYS 41 HE2 LYS 41 -11.841 6.123 -0.325 233 2HE LYS 41 HE1 LYS 41 -13.540 6.557 -0.145 234 1HZ LYS 41 HZ1 LYS 41 -12.563 3.842 -0.846 235 2HZ LYS 41 HZ2 LYS 41 -14.164 4.286 -0.530 236 3HZ LYS 41 HZ3 LYS 41 -13.015 4.328 0.710 237 H GLU 42 HN GLU 42 -10.459 9.394 -5.032 238 HA GLU 42 HA GLU 42 -8.142 7.839 -5.933 239 1HB GLU 42 HB2 GLU 42 -7.094 9.984 -6.420 240 2HB GLU 42 HB1 GLU 42 -8.670 9.880 -7.193 241 1HG GLU 42 HG2 GLU 42 -9.088 11.038 -4.663 242 2HG GLU 42 HG1 GLU 42 -7.678 11.833 -5.363 243 H THR 43 HN THR 43 -9.417 9.536 -3.188 244 HA THR 43 HA THR 43 -6.850 9.214 -1.783 245 HB THR 43 HB THR 43 -8.987 10.754 -0.459 246 HG1 THR 43 HG1 THR 43 -7.710 11.783 -2.770 247 1HG2 THR 43 HG21 THR 43 -7.083 12.406 -0.258 248 2HG2 THR 43 HG22 THR 43 -6.059 11.146 -0.948 249 3HG2 THR 43 HG23 THR 43 -6.897 10.865 0.579 250 H PHE 44 HN PHE 44 -6.759 8.129 0.176 251 HA PHE 44 HA PHE 44 -9.208 6.951 1.238 252 1HB PHE 44 HB2 PHE 44 -6.833 5.239 0.494 253 2HB PHE 44 HB1 PHE 44 -8.345 4.687 1.202 254 HD1 PHE 44 HD1 PHE 44 -6.858 6.202 -1.827 255 HD2 PHE 44 HD2 PHE 44 -10.152 4.095 -0.147 256 HE1 PHE 44 HE1 PHE 44 -7.739 5.785 -4.086 257 HE2 PHE 44 HE2 PHE 44 -11.040 3.685 -2.407 258 HZ PHE 44 HZ PHE 44 -9.836 4.531 -4.376 259 H THR 45 HN THR 45 -9.061 6.285 3.385 260 HA THR 45 HA THR 45 -6.967 7.537 4.918 261 HB THR 45 HB THR 45 -8.236 6.433 6.856 262 HG1 THR 45 HG1 THR 45 -9.855 5.192 6.397 263 1HG2 THR 45 HG21 THR 45 -9.375 8.316 7.049 264 2HG2 THR 45 HG22 THR 45 -10.367 7.933 5.642 265 3HG2 THR 45 HG23 THR 45 -8.815 8.744 5.433 266 H MET 46 HN MET 46 -5.470 6.422 6.285 267 HA MET 46 HA MET 46 -4.128 4.320 5.195 268 1HB MET 46 HB2 MET 46 -3.573 5.816 7.271 269 2HB MET 46 HB1 MET 46 -4.259 4.471 8.177 270 1HG MET 46 HG2 MET 46 -2.401 3.292 7.952 271 2HG MET 46 HG1 MET 46 -2.452 3.484 6.201 272 1HE MET 46 HE1 MET 46 -0.925 4.064 5.069 273 2HE MET 46 HE2 MET 46 0.684 4.320 5.751 274 3HE MET 46 HE3 MET 46 -0.206 5.677 5.059 275 H LYS 47 HN LYS 47 -7.003 4.176 7.156 276 HA LYS 47 HA LYS 47 -6.908 1.430 7.806 277 1HB LYS 47 HB2 LYS 47 -8.698 3.593 8.198 278 2HB LYS 47 HB1 LYS 47 -9.618 2.307 7.430 279 1HG LYS 47 HG2 LYS 47 -9.775 2.139 9.835 280 2HG LYS 47 HG1 LYS 47 -8.896 0.754 9.183 281 1HD LYS 47 HD2 LYS 47 -7.723 1.483 11.123 282 2HD LYS 47 HD1 LYS 47 -6.768 1.973 9.722 283 1HE LYS 47 HE2 LYS 47 -7.848 4.227 9.889 284 2HE LYS 47 HE1 LYS 47 -8.572 3.701 11.408 285 1HZ LYS 47 HZ1 LYS 47 -5.715 4.137 10.789 286 2HZ LYS 47 HZ2 LYS 47 -6.194 3.194 12.109 287 3HZ LYS 47 HZ3 LYS 47 -6.644 4.823 12.026 288 H GLU 48 HN GLU 48 -8.532 3.185 5.173 289 HA GLU 48 HA GLU 48 -9.419 0.808 3.859 290 1HB GLU 48 HB2 GLU 48 -9.135 3.588 2.712 291 2HB GLU 48 HB1 GLU 48 -10.103 2.278 2.055 292 1HG GLU 48 HG2 GLU 48 -10.597 3.413 4.787 293 2HG GLU 48 HG1 GLU 48 -11.326 4.091 3.332 294 H VAL 49 HN VAL 49 -6.786 3.121 3.298 295 HA VAL 49 HA VAL 49 -5.725 2.090 0.964 296 HB VAL 49 HB VAL 49 -4.055 3.132 3.254 297 1HG1 VAL 49 HG11 VAL 49 -3.203 2.082 0.924 298 2HG1 VAL 49 HG12 VAL 49 -2.349 3.354 1.797 299 3HG1 VAL 49 HG13 VAL 49 -3.411 3.769 0.451 300 1HG2 VAL 49 HG21 VAL 49 -6.172 4.471 2.126 301 2HG2 VAL 49 HG22 VAL 49 -4.797 5.046 1.184 302 3HG2 VAL 49 HG23 VAL 49 -4.798 5.216 2.940 303 H LEU 50 HN LEU 50 -4.287 1.455 4.158 304 HA LEU 50 HA LEU 50 -2.732 -0.706 3.391 305 1HB LEU 50 HB2 LEU 50 -2.303 0.374 5.461 306 2HB LEU 50 HB1 LEU 50 -3.927 0.070 6.041 307 HG LEU 50 HG LEU 50 -2.002 -1.306 7.030 308 1HD1 LEU 50 HD11 LEU 50 -3.760 -2.384 7.820 309 2HD1 LEU 50 HD12 LEU 50 -3.729 -3.421 6.394 310 3HD1 LEU 50 HD13 LEU 50 -4.715 -1.959 6.400 311 1HD2 LEU 50 HD21 LEU 50 -0.822 -2.691 5.757 312 2HD2 LEU 50 HD22 LEU 50 -1.565 -1.932 4.351 313 3HD2 LEU 50 HD23 LEU 50 -2.278 -3.386 5.048 314 H TYR 51 HN TYR 51 -6.145 -0.573 3.971 315 HA TYR 51 HA TYR 51 -6.503 -3.355 4.507 316 1HB TYR 51 HB2 TYR 51 -8.177 -1.801 5.270 317 2HB TYR 51 HB1 TYR 51 -8.458 -1.221 3.633 318 HD1 TYR 51 HD1 TYR 51 -9.393 -3.603 6.133 319 HD2 TYR 51 HD2 TYR 51 -9.441 -2.865 1.944 320 HE1 TYR 51 HE1 TYR 51 -11.168 -5.283 5.864 321 HE2 TYR 51 HE2 TYR 51 -11.218 -4.542 1.663 322 HH TYR 51 HH TYR 51 -12.124 -6.699 4.175 323 H HIS 52 HN HIS 52 -7.357 -1.402 1.610 324 HA HIS 52 HA HIS 52 -8.087 -3.492 -0.031 325 1HB HIS 52 HB2 HIS 52 -6.511 -1.160 -1.100 326 2HB HIS 52 HB1 HIS 52 -7.782 -2.074 -1.890 327 HD1 HIS 52 HD1 HIS 52 -10.163 -1.876 -0.271 328 HD2 HIS 52 HD2 HIS 52 -7.464 1.277 -0.438 329 HE1 HIS 52 HE1 HIS 52 -11.475 0.167 0.378 330 HE2 HIS 52 HE2 HIS 52 -9.856 2.079 0.121 331 H LEU 53 HN LEU 53 -4.822 -2.250 0.600 332 HA LEU 53 HA LEU 53 -3.323 -3.578 -1.225 333 1HB LEU 53 HB2 LEU 53 -2.907 -2.284 1.245 334 2HB LEU 53 HB1 LEU 53 -2.066 -3.821 1.342 335 HG LEU 53 HG LEU 53 -0.785 -3.310 -0.608 336 1HD1 LEU 53 HD11 LEU 53 -2.805 -1.228 -0.981 337 2HD1 LEU 53 HD12 LEU 53 -1.863 -2.131 -2.170 338 3HD1 LEU 53 HD13 LEU 53 -1.150 -0.742 -1.348 339 1HD2 LEU 53 HD21 LEU 53 0.674 -1.894 0.396 340 2HD2 LEU 53 HD22 LEU 53 -0.398 -2.171 1.769 341 3HD2 LEU 53 HD23 LEU 53 -0.579 -0.716 0.789 342 H GLY 54 HN GLY 54 -4.392 -4.889 1.922 343 1HA GLY 54 HA2 GLY 54 -3.264 -7.429 1.686 344 2HA GLY 54 HA1 GLY 54 -4.730 -7.067 2.592 345 H GLN 55 HN GLN 55 -6.273 -6.130 0.412 346 HA GLN 55 HA GLN 55 -7.125 -8.658 -0.683 347 1HB GLN 55 HB2 GLN 55 -8.152 -5.836 -0.993 348 2HB GLN 55 HB1 GLN 55 -8.878 -7.217 -1.805 349 1HG GLN 55 HG2 GLN 55 -9.086 -8.229 0.544 350 2HG GLN 55 HG1 GLN 55 -8.794 -6.588 1.118 351 1HE2 GLN 55 HE21 GLN 55 -11.147 -8.716 0.528 352 2HE2 GLN 55 HE22 GLN 55 -12.451 -7.651 0.140 353 H TYR 56 HN TYR 56 -5.259 -5.927 -1.708 354 HA TYR 56 HA TYR 56 -5.473 -6.252 -4.505 355 1HB TYR 56 HB2 TYR 56 -4.634 -4.172 -3.693 356 2HB TYR 56 HB1 TYR 56 -3.385 -4.965 -2.742 357 HD1 TYR 56 HD1 TYR 56 -4.469 -4.421 -6.262 358 HD2 TYR 56 HD2 TYR 56 -1.238 -5.187 -3.610 359 HE1 TYR 56 HE1 TYR 56 -2.894 -4.188 -8.133 360 HE2 TYR 56 HE2 TYR 56 0.354 -4.942 -5.470 361 HH TYR 56 HH TYR 56 0.356 -3.734 -7.746 362 H ILE 57 HN ILE 57 -3.283 -7.591 -2.085 363 HA ILE 57 HA ILE 57 -1.552 -8.878 -3.937 364 HB ILE 57 HB ILE 57 -2.023 -9.594 -1.043 365 1HG1 ILE 57 HG12 ILE 57 -0.077 -7.639 -2.286 366 2HG1 ILE 57 HG11 ILE 57 -1.447 -7.231 -1.258 367 1HG2 ILE 57 HG21 ILE 57 -0.277 -11.001 -1.163 368 2HG2 ILE 57 HG22 ILE 57 0.634 -9.940 -2.238 369 3HG2 ILE 57 HG23 ILE 57 -0.616 -10.998 -2.894 370 1HD1 ILE 57 HD11 ILE 57 -0.418 -8.158 0.644 371 2HD1 ILE 57 HD12 ILE 57 0.821 -7.202 -0.170 372 3HD1 ILE 57 HD13 ILE 57 0.819 -8.959 -0.324 373 H MET 58 HN MET 58 -4.054 -10.208 -1.750 374 HA MET 58 HA MET 58 -3.982 -12.819 -2.728 375 1HB MET 58 HB2 MET 58 -6.286 -13.026 -1.794 376 2HB MET 58 HB1 MET 58 -5.123 -12.339 -0.668 377 1HG MET 58 HG2 MET 58 -6.213 -10.398 -0.533 378 2HG MET 58 HG1 MET 58 -6.548 -10.351 -2.263 379 1HE MET 58 HE1 MET 58 -7.222 -11.757 1.047 380 2HE MET 58 HE2 MET 58 -8.206 -13.149 0.594 381 3HE MET 58 HE3 MET 58 -8.977 -11.687 1.208 382 H ALA 59 HN ALA 59 -5.549 -9.960 -3.969 383 HA ALA 59 HA ALA 59 -7.231 -11.338 -5.836 384 1HB ALA 59 HB1 ALA 59 -7.652 -9.113 -6.772 385 2HB ALA 59 HB2 ALA 59 -6.372 -8.446 -5.760 386 3HB ALA 59 HB3 ALA 59 -7.823 -9.118 -5.016 387 H LYS 60 HN LYS 60 -4.352 -9.266 -6.264 388 HA LYS 60 HA LYS 60 -3.963 -9.902 -8.976 389 1HB LYS 60 HB2 LYS 60 -2.328 -8.648 -6.824 390 2HB LYS 60 HB1 LYS 60 -1.497 -9.189 -8.275 391 1HG LYS 60 HG2 LYS 60 -2.175 -6.800 -8.296 392 2HG LYS 60 HG1 LYS 60 -2.793 -7.742 -9.652 393 1HD LYS 60 HD2 LYS 60 -4.910 -8.031 -8.243 394 2HD LYS 60 HD1 LYS 60 -4.267 -6.736 -7.235 395 1HE LYS 60 HE2 LYS 60 -5.872 -6.022 -9.039 396 2HE LYS 60 HE1 LYS 60 -4.317 -5.193 -9.030 397 1HZ LYS 60 HZ1 LYS 60 -3.671 -6.183 -10.955 398 2HZ LYS 60 HZ2 LYS 60 -5.340 -6.164 -11.227 399 3HZ LYS 60 HZ3 LYS 60 -4.587 -7.582 -10.697 400 H GLN 61 HN GLN 61 -3.211 -11.601 -6.073 401 HA GLN 61 HA GLN 61 -2.381 -13.681 -5.698 402 1HB GLN 61 HB2 GLN 61 -3.643 -14.231 -7.814 403 2HB GLN 61 HB1 GLN 61 -2.136 -13.996 -8.690 404 1HG GLN 61 HG2 GLN 61 -1.605 -16.101 -8.293 405 2HG GLN 61 HG1 GLN 61 -1.567 -15.750 -6.566 406 1HE2 GLN 61 HE21 GLN 61 -4.289 -15.209 -6.192 407 2HE2 GLN 61 HE22 GLN 61 -5.170 -16.681 -6.389 408 H LEU 62 HN LEU 62 -0.606 -12.100 -5.013 409 HA LEU 62 HA LEU 62 1.848 -12.580 -6.562 410 1HB LEU 62 HB2 LEU 62 1.501 -10.550 -4.367 411 2HB LEU 62 HB1 LEU 62 2.784 -10.639 -5.559 412 HG LEU 62 HG LEU 62 -0.093 -9.891 -6.077 413 1HD1 LEU 62 HD11 LEU 62 1.371 -8.194 -4.967 414 2HD1 LEU 62 HD12 LEU 62 0.736 -7.706 -6.538 415 3HD1 LEU 62 HD13 LEU 62 2.409 -8.247 -6.392 416 1HD2 LEU 62 HD21 LEU 62 2.145 -9.846 -8.077 417 2HD2 LEU 62 HD22 LEU 62 0.412 -9.691 -8.359 418 3HD2 LEU 62 HD23 LEU 62 1.092 -11.247 -7.883 419 H TYR 63 HN TYR 63 0.218 -13.773 -3.948 420 HA TYR 63 HA TYR 63 2.433 -14.120 -2.145 421 1HB TYR 63 HB2 TYR 63 0.850 -15.554 -0.879 422 2HB TYR 63 HB1 TYR 63 0.195 -13.958 -1.230 423 HD1 TYR 63 HD1 TYR 63 0.186 -17.461 -2.504 424 HD2 TYR 63 HD2 TYR 63 -1.897 -13.761 -2.231 425 HE1 TYR 63 HE1 TYR 63 -1.787 -18.502 -3.539 426 HE2 TYR 63 HE2 TYR 63 -3.875 -14.791 -3.267 427 HH TYR 63 HH TYR 63 -3.808 -17.688 -4.881 428 H ASP 64 HN ASP 64 3.455 -16.087 -1.626 429 HA ASP 64 HA ASP 64 3.862 -17.813 -3.895 430 1HB ASP 64 HB2 ASP 64 5.755 -17.131 -2.490 431 2HB ASP 64 HB1 ASP 64 5.024 -17.928 -1.102 432 H GLU 65 HN GLU 65 3.387 -19.990 -4.059 433 HA GLU 65 HA GLU 65 1.020 -20.876 -2.793 434 1HB GLU 65 HB2 GLU 65 2.967 -21.995 -4.724 435 2HB GLU 65 HB1 GLU 65 2.019 -23.166 -3.817 436 1HG GLU 65 HG2 GLU 65 0.762 -20.881 -5.301 437 2HG GLU 65 HG1 GLU 65 1.104 -22.435 -6.059 438 H LYS 66 HN LYS 66 4.403 -21.943 -2.460 439 HA LYS 66 HA LYS 66 4.025 -23.884 -0.515 440 1HB LYS 66 HB2 LYS 66 6.283 -22.260 -1.472 441 2HB LYS 66 HB1 LYS 66 6.460 -22.888 0.162 442 1HG LYS 66 HG2 LYS 66 5.807 -24.563 -2.250 443 2HG LYS 66 HG1 LYS 66 7.416 -24.358 -1.566 444 1HD LYS 66 HD2 LYS 66 6.931 -25.596 0.309 445 2HD LYS 66 HD1 LYS 66 5.203 -25.250 0.213 446 1HE LYS 66 HE2 LYS 66 5.358 -27.498 -0.391 447 2HE LYS 66 HE1 LYS 66 5.240 -26.652 -1.933 448 1HZ LYS 66 HZ1 LYS 66 7.016 -27.920 -2.419 449 2HZ LYS 66 HZ2 LYS 66 7.460 -28.142 -0.802 450 3HZ LYS 66 HZ3 LYS 66 7.878 -26.713 -1.604 451 H GLN 67 HN GLN 67 4.853 -20.452 -0.057 452 HA GLN 67 HA GLN 67 3.746 -20.644 2.666 453 1HB GLN 67 HB2 GLN 67 5.404 -18.565 2.960 454 2HB GLN 67 HB1 GLN 67 5.905 -20.222 3.260 455 1HG GLN 67 HG2 GLN 67 6.251 -18.988 0.558 456 2HG GLN 67 HG1 GLN 67 7.412 -18.687 1.849 457 1HE2 GLN 67 HE21 GLN 67 8.206 -19.901 -0.457 458 2HE2 GLN 67 HE22 GLN 67 8.585 -21.559 -0.150 459 H GLN 68 HN GLN 68 2.036 -19.398 2.995 460 HA GLN 68 HA GLN 68 1.184 -17.523 0.997 461 1HB GLN 68 HB2 GLN 68 0.048 -18.544 3.571 462 2HB GLN 68 HB1 GLN 68 -0.646 -17.112 2.824 463 1HG GLN 68 HG2 GLN 68 -1.967 -18.756 1.944 464 2HG GLN 68 HG1 GLN 68 -0.732 -18.611 0.694 465 1HE2 GLN 68 HE21 GLN 68 -0.349 -20.551 -0.095 466 2HE2 GLN 68 HE22 GLN 68 -0.109 -21.994 0.824 467 H HIS 69 HN HIS 69 3.103 -17.314 3.810 468 HA HIS 69 HA HIS 69 2.483 -14.527 4.316 469 1HB HIS 69 HB2 HIS 69 3.910 -14.685 6.204 470 2HB HIS 69 HB1 HIS 69 3.037 -16.211 6.130 471 HD1 HIS 69 HD1 HIS 69 4.467 -18.228 4.944 472 HD2 HIS 69 HD2 HIS 69 6.603 -14.970 6.389 473 HE1 HIS 69 HE1 HIS 69 6.843 -19.023 5.156 474 HE2 HIS 69 HE2 HIS 69 8.133 -17.007 5.943 475 H ILE 70 HN ILE 70 4.036 -15.842 1.868 476 HA ILE 70 HA ILE 70 6.132 -13.772 1.822 477 HB ILE 70 HB ILE 70 6.241 -16.460 0.448 478 1HG1 ILE 70 HG12 ILE 70 6.539 -16.797 2.808 479 2HG1 ILE 70 HG11 ILE 70 8.125 -16.882 2.050 480 1HG2 ILE 70 HG21 ILE 70 7.799 -13.999 0.197 481 2HG2 ILE 70 HG22 ILE 70 7.660 -15.374 -0.899 482 3HG2 ILE 70 HG23 ILE 70 8.777 -15.443 0.464 483 1HD1 ILE 70 HD11 ILE 70 8.177 -14.325 2.681 484 2HD1 ILE 70 HD12 ILE 70 8.615 -15.579 3.842 485 3HD1 ILE 70 HD13 ILE 70 7.009 -14.851 3.894 486 H VAL 71 HN VAL 71 6.193 -12.444 0.102 487 HA VAL 71 HA VAL 71 4.392 -13.027 -2.155 488 HB VAL 71 HB VAL 71 4.870 -10.259 -1.058 489 1HG1 VAL 71 HG11 VAL 71 4.123 -10.747 -3.492 490 2HG1 VAL 71 HG12 VAL 71 3.269 -9.520 -2.557 491 3HG1 VAL 71 HG13 VAL 71 2.565 -11.125 -2.755 492 1HG2 VAL 71 HG21 VAL 71 3.647 -11.029 0.695 493 2HG2 VAL 71 HG22 VAL 71 2.924 -12.339 -0.241 494 3HG2 VAL 71 HG23 VAL 71 2.316 -10.693 -0.413 495 H HIS 72 HN HIS 72 5.828 -13.557 -3.722 496 HA HIS 72 HA HIS 72 7.888 -11.551 -4.349 497 1HB HIS 72 HB2 HIS 72 9.423 -13.303 -5.018 498 2HB HIS 72 HB1 HIS 72 8.904 -13.587 -3.361 499 HD1 HIS 72 HD1 HIS 72 6.657 -15.322 -3.338 500 HD2 HIS 72 HD2 HIS 72 9.386 -15.573 -6.461 501 HE1 HIS 72 HE1 HIS 72 6.317 -17.599 -4.347 502 HE2 HIS 72 HE2 HIS 72 7.914 -17.693 -6.292 503 H CYS 73 HN CYS 73 6.894 -10.540 -6.003 504 HA CYS 73 HA CYS 73 6.317 -12.165 -8.382 505 1HB CYS 73 HB2 CYS 73 4.472 -10.531 -6.882 506 2HB CYS 73 HB1 CYS 73 4.652 -9.896 -8.514 507 HG CYS 73 HG CYS 73 3.299 -11.747 -9.364 508 H SER 74 HN SER 74 8.049 -11.662 -9.618 509 HA SER 74 HA SER 74 9.391 -9.203 -9.603 510 1HB SER 74 HB2 SER 74 9.913 -11.634 -10.702 511 2HB SER 74 HB1 SER 74 9.475 -10.713 -12.140 512 HG SER 74 HG SER 74 11.203 -9.480 -11.903 513 H ASN 75 HN ASN 75 6.908 -10.404 -11.869 514 HA ASN 75 HA ASN 75 6.838 -7.705 -12.999 515 1HB ASN 75 HB2 ASN 75 6.554 -10.210 -14.162 516 2HB ASN 75 HB1 ASN 75 4.900 -9.611 -14.076 517 1HD2 ASN 75 HD21 ASN 75 8.157 -8.610 -15.036 518 2HD2 ASN 75 HD22 ASN 75 7.654 -7.665 -16.392 519 H ASP 76 HN ASP 76 5.889 -6.552 -11.391 520 HA ASP 76 HA ASP 76 3.023 -6.710 -11.260 521 1HB ASP 76 HB2 ASP 76 3.966 -8.363 -9.503 522 2HB ASP 76 HB1 ASP 76 4.403 -6.916 -8.599 523 HA PRO 77 HA PRO 77 3.558 -2.328 -10.969 524 1HB PRO 77 HB2 PRO 77 1.136 -2.313 -9.273 525 2HB PRO 77 HB1 PRO 77 1.450 -1.486 -10.796 526 1HG PRO 77 HG2 PRO 77 -0.178 -3.637 -10.591 527 2HG PRO 77 HG1 PRO 77 0.723 -3.227 -12.058 528 1HD PRO 77 HD2 PRO 77 1.187 -5.390 -10.104 529 2HD PRO 77 HD1 PRO 77 1.647 -5.276 -11.810 530 H LEU 78 HN LEU 78 2.839 -4.281 -8.140 531 HA LEU 78 HA LEU 78 3.567 -2.351 -6.191 532 1HB LEU 78 HB2 LEU 78 2.227 -4.588 -5.980 533 2HB LEU 78 HB1 LEU 78 3.809 -5.298 -5.732 534 HG LEU 78 HG LEU 78 4.097 -3.547 -3.869 535 1HD1 LEU 78 HD11 LEU 78 2.010 -2.307 -4.699 536 2HD1 LEU 78 HD12 LEU 78 2.213 -2.524 -2.961 537 3HD1 LEU 78 HD13 LEU 78 1.101 -3.561 -3.856 538 1HD2 LEU 78 HD21 LEU 78 2.424 -5.018 -2.415 539 2HD2 LEU 78 HD22 LEU 78 3.959 -5.648 -3.014 540 3HD2 LEU 78 HD23 LEU 78 2.461 -6.018 -3.868 541 H GLY 79 HN GLY 79 5.301 -5.009 -7.768 542 1HA GLY 79 HA2 GLY 79 7.687 -4.869 -6.321 543 2HA GLY 79 HA1 GLY 79 7.547 -5.437 -7.979 544 H GLU 80 HN GLU 80 6.516 -2.902 -8.976 545 HA GLU 80 HA GLU 80 9.055 -1.590 -9.354 546 1HB GLU 80 HB2 GLU 80 8.083 -0.499 -11.161 547 2HB GLU 80 HB1 GLU 80 7.191 -2.011 -11.117 548 1HG GLU 80 HG2 GLU 80 5.251 -0.996 -10.696 549 2HG GLU 80 HG1 GLU 80 5.965 0.133 -9.553 550 H LEU 81 HN LEU 81 6.182 -1.113 -7.484 551 HA LEU 81 HA LEU 81 6.613 1.662 -6.924 552 1HB LEU 81 HB2 LEU 81 4.388 0.574 -6.822 553 2HB LEU 81 HB1 LEU 81 4.932 -0.366 -5.447 554 HG LEU 81 HG LEU 81 5.254 1.757 -4.184 555 1HD1 LEU 81 HD11 LEU 81 3.598 3.167 -6.216 556 2HD1 LEU 81 HD12 LEU 81 5.341 3.059 -6.460 557 3HD1 LEU 81 HD13 LEU 81 4.701 3.821 -5.005 558 1HD2 LEU 81 HD21 LEU 81 2.445 1.507 -5.229 559 2HD2 LEU 81 HD22 LEU 81 2.973 2.009 -3.623 560 3HD2 LEU 81 HD23 LEU 81 3.167 0.331 -4.131 561 H PHE 82 HN PHE 82 6.771 -1.225 -4.828 562 HA PHE 82 HA PHE 82 8.163 0.122 -2.756 563 1HB PHE 82 HB2 PHE 82 7.863 -2.836 -3.313 564 2HB PHE 82 HB1 PHE 82 8.525 -2.159 -1.830 565 HD1 PHE 82 HD1 PHE 82 6.552 0.181 -1.647 566 HD2 PHE 82 HD2 PHE 82 6.034 -3.984 -2.350 567 HE1 PHE 82 HE1 PHE 82 4.287 0.307 -0.697 568 HE2 PHE 82 HE2 PHE 82 3.767 -3.865 -1.401 569 HZ PHE 82 HZ PHE 82 2.891 -1.718 -0.573 570 H GLY 83 HN GLY 83 9.173 -1.532 -5.639 571 1HA GLY 83 HA2 GLY 83 11.260 -1.438 -6.653 572 2HA GLY 83 HA1 GLY 83 11.887 -0.631 -5.224 573 H VAL 84 HN VAL 84 10.224 -3.752 -5.408 574 HA VAL 84 HA VAL 84 12.724 -5.167 -4.934 575 HB VAL 84 HB VAL 84 11.849 -6.354 -2.963 576 1HG1 VAL 84 HG11 VAL 84 13.329 -4.464 -2.629 577 2HG1 VAL 84 HG12 VAL 84 12.115 -4.517 -1.350 578 3HG1 VAL 84 HG13 VAL 84 11.958 -3.355 -2.667 579 1HG2 VAL 84 HG21 VAL 84 9.901 -4.937 -1.825 580 2HG2 VAL 84 HG22 VAL 84 9.577 -6.300 -2.896 581 3HG2 VAL 84 HG23 VAL 84 9.487 -4.651 -3.515 582 H GLN 85 HN GLN 85 12.525 -7.482 -5.150 583 HA GLN 85 HA GLN 85 10.397 -8.198 -7.010 584 1HB GLN 85 HB2 GLN 85 12.657 -8.693 -7.722 585 2HB GLN 85 HB1 GLN 85 12.967 -9.593 -6.244 586 1HG GLN 85 HG2 GLN 85 11.329 -11.263 -6.901 587 2HG GLN 85 HG1 GLN 85 10.979 -10.354 -8.371 588 1HE2 GLN 85 HE21 GLN 85 11.749 -12.975 -8.497 589 2HE2 GLN 85 HE22 GLN 85 13.331 -13.088 -9.180 590 H GLU 86 HN GLU 86 11.571 -8.953 -3.810 591 HA GLU 86 HA GLU 86 9.139 -10.471 -3.300 592 1HB GLU 86 HB2 GLU 86 10.360 -12.323 -2.242 593 2HB GLU 86 HB1 GLU 86 10.737 -12.193 -3.954 594 1HG GLU 86 HG2 GLU 86 12.790 -10.881 -3.251 595 2HG GLU 86 HG1 GLU 86 12.446 -11.428 -1.611 596 H PHE 87 HN PHE 87 8.527 -10.525 -1.121 597 HA PHE 87 HA PHE 87 10.206 -9.428 0.929 598 1HB PHE 87 HB2 PHE 87 8.892 -7.452 1.423 599 2HB PHE 87 HB1 PHE 87 9.455 -7.371 -0.242 600 HD1 PHE 87 HD1 PHE 87 6.580 -7.549 1.946 601 HD2 PHE 87 HD2 PHE 87 7.880 -7.774 -2.100 602 HE1 PHE 87 HE1 PHE 87 4.263 -7.214 1.189 603 HE2 PHE 87 HE2 PHE 87 5.565 -7.438 -2.866 604 HZ PHE 87 HZ PHE 87 3.754 -7.156 -1.221 605 H SER 88 HN SER 88 9.627 -10.238 2.850 606 HA SER 88 HA SER 88 7.301 -11.934 3.003 607 1HB SER 88 HB2 SER 88 9.427 -12.627 4.035 608 2HB SER 88 HB1 SER 88 9.355 -11.236 5.118 609 HG SER 88 HG SER 88 7.315 -13.196 4.990 610 H VAL 89 HN VAL 89 5.492 -11.645 4.283 611 HA VAL 89 HA VAL 89 4.934 -8.884 5.005 612 HB VAL 89 HB VAL 89 2.612 -9.819 5.504 613 1HG1 VAL 89 HG11 VAL 89 2.124 -10.057 3.016 614 2HG1 VAL 89 HG12 VAL 89 3.853 -9.814 2.770 615 3HG1 VAL 89 HG13 VAL 89 2.888 -8.559 3.548 616 1HG2 VAL 89 HG21 VAL 89 2.013 -11.952 4.782 617 2HG2 VAL 89 HG22 VAL 89 3.553 -12.208 5.604 618 3HG2 VAL 89 HG23 VAL 89 3.492 -12.153 3.842 619 H LYS 90 HN LYS 90 6.580 -11.039 6.602 620 HA LYS 90 HA LYS 90 5.164 -11.301 9.068 621 1HB LYS 90 HB2 LYS 90 6.887 -12.910 8.399 622 2HB LYS 90 HB1 LYS 90 8.105 -11.643 8.450 623 1HG LYS 90 HG2 LYS 90 8.234 -11.661 10.712 624 2HG LYS 90 HG1 LYS 90 6.535 -12.095 10.916 625 1HD LYS 90 HD2 LYS 90 6.983 -14.294 10.944 626 2HD LYS 90 HD1 LYS 90 8.137 -14.169 9.615 627 1HE LYS 90 HE2 LYS 90 9.003 -12.999 12.176 628 2HE LYS 90 HE1 LYS 90 8.815 -14.752 12.165 629 1HZ LYS 90 HZ1 LYS 90 10.554 -15.019 10.780 630 2HZ LYS 90 HZ2 LYS 90 11.034 -13.520 11.401 631 3HZ LYS 90 HZ3 LYS 90 10.242 -13.602 9.909 632 H GLU 91 HN GLU 91 7.476 -9.024 7.745 633 HA GLU 91 HA GLU 91 7.742 -7.627 10.281 634 1HB GLU 91 HB2 GLU 91 8.967 -7.254 7.556 635 2HB GLU 91 HB1 GLU 91 9.150 -6.047 8.822 636 1HG GLU 91 HG2 GLU 91 9.913 -8.924 9.207 637 2HG GLU 91 HG1 GLU 91 11.025 -7.717 8.565 638 H HIS 92 HN HIS 92 5.427 -7.146 10.387 639 HA HIS 92 HA HIS 92 4.067 -5.559 8.529 640 1HB HIS 92 HB2 HIS 92 3.701 -5.852 11.514 641 2HB HIS 92 HB1 HIS 92 2.580 -4.977 10.477 642 HD1 HIS 92 HD1 HIS 92 1.602 -7.408 12.046 643 HD2 HIS 92 HD2 HIS 92 3.067 -7.606 8.162 644 HE1 HIS 92 HE1 HIS 92 0.626 -9.508 11.066 645 HE2 HIS 92 HE2 HIS 92 1.457 -9.561 8.688 646 H ARG 93 HN ARG 93 6.329 -4.717 11.050 647 HA ARG 93 HA ARG 93 5.738 -1.964 11.225 648 1HB ARG 93 HB2 ARG 93 7.398 -3.663 12.563 649 2HB ARG 93 HB1 ARG 93 8.554 -2.735 11.618 650 1HG ARG 93 HG2 ARG 93 7.173 -0.697 12.544 651 2HG ARG 93 HG1 ARG 93 6.747 -1.856 13.806 652 1HD ARG 93 HD2 ARG 93 9.545 -1.098 12.971 653 2HD ARG 93 HD1 ARG 93 8.713 -0.535 14.420 654 HE ARG 93 HE ARG 93 8.854 -3.390 14.253 655 1HH1 ARG 93 HH11 ARG 93 10.596 -0.519 15.199 656 2HH1 ARG 93 HH12 ARG 93 11.596 -1.351 16.342 657 1HH2 ARG 93 HH21 ARG 93 10.167 -4.486 15.755 658 2HH2 ARG 93 HH22 ARG 93 11.353 -3.604 16.658 659 H ARG 94 HN ARG 94 7.762 -3.827 9.049 660 HA ARG 94 HA ARG 94 9.024 -1.539 7.869 661 1HB ARG 94 HB2 ARG 94 9.847 -4.006 7.960 662 2HB ARG 94 HB1 ARG 94 8.837 -4.221 6.537 663 1HG ARG 94 HG2 ARG 94 10.177 -2.926 5.214 664 2HG ARG 94 HG1 ARG 94 10.782 -1.973 6.571 665 1HD ARG 94 HD2 ARG 94 12.634 -3.231 6.188 666 2HD ARG 94 HD1 ARG 94 11.785 -4.333 7.271 667 HE ARG 94 HE ARG 94 10.913 -5.042 4.794 668 1HH1 ARG 94 HH11 ARG 94 14.062 -4.696 6.256 669 2HH1 ARG 94 HH12 ARG 94 14.793 -5.916 5.268 670 1HH2 ARG 94 HH21 ARG 94 11.872 -6.646 3.492 671 2HH2 ARG 94 HH22 ARG 94 13.551 -7.022 3.698 672 H ILE 95 HN ILE 95 6.332 -3.664 6.997 673 HA ILE 95 HA ILE 95 5.854 -2.598 4.439 674 HB ILE 95 HB ILE 95 3.800 -3.805 6.289 675 1HG1 ILE 95 HG12 ILE 95 5.763 -5.099 4.387 676 2HG1 ILE 95 HG11 ILE 95 5.665 -5.326 6.129 677 1HG2 ILE 95 HG21 ILE 95 2.387 -3.911 4.534 678 2HG2 ILE 95 HG22 ILE 95 3.680 -4.227 3.378 679 3HG2 ILE 95 HG23 ILE 95 3.367 -2.579 3.921 680 1HD1 ILE 95 HD11 ILE 95 4.270 -7.013 5.853 681 2HD1 ILE 95 HD12 ILE 95 4.437 -6.834 4.106 682 3HD1 ILE 95 HD13 ILE 95 3.151 -5.983 4.961 683 H TYR 96 HN TYR 96 4.390 -1.823 7.589 684 HA TYR 96 HA TYR 96 2.571 0.099 6.714 685 1HB TYR 96 HB2 TYR 96 3.163 -0.983 9.121 686 2HB TYR 96 HB1 TYR 96 3.882 0.612 9.318 687 HD1 TYR 96 HD1 TYR 96 2.352 2.635 8.716 688 HD2 TYR 96 HD2 TYR 96 0.900 -1.277 9.547 689 HE1 TYR 96 HE1 TYR 96 0.140 3.573 9.236 690 HE2 TYR 96 HE2 TYR 96 -1.317 -0.349 10.068 691 HH TYR 96 HH TYR 96 -1.906 2.723 10.772 692 H ALA 97 HN ALA 97 5.959 0.453 7.685 693 HA ALA 97 HA ALA 97 5.988 3.293 7.350 694 1HB ALA 97 HB1 ALA 97 7.564 1.664 8.720 695 2HB ALA 97 HB2 ALA 97 8.133 3.218 8.111 696 3HB ALA 97 HB3 ALA 97 8.512 1.735 7.235 697 H MET 98 HN MET 98 6.334 0.606 5.217 698 HA MET 98 HA MET 98 7.834 1.962 3.207 699 1HB MET 98 HB2 MET 98 8.135 -0.330 3.134 700 2HB MET 98 HB1 MET 98 6.445 -0.668 3.481 701 1HG MET 98 HG2 MET 98 5.855 -0.620 1.332 702 2HG MET 98 HG1 MET 98 6.951 0.701 0.954 703 1HE MET 98 HE1 MET 98 7.788 -3.159 2.306 704 2HE MET 98 HE2 MET 98 7.647 -3.769 0.657 705 3HE MET 98 HE3 MET 98 6.295 -2.913 1.400 706 H ILE 99 HN ILE 99 4.468 0.765 3.325 707 HA ILE 99 HA ILE 99 3.572 2.002 0.997 708 HB ILE 99 HB ILE 99 1.286 1.874 2.029 709 1HG1 ILE 99 HG12 ILE 99 1.705 0.227 4.218 710 2HG1 ILE 99 HG11 ILE 99 2.927 1.479 4.415 711 1HG2 ILE 99 HG21 ILE 99 1.687 -0.009 0.823 712 2HG2 ILE 99 HG22 ILE 99 1.581 -0.737 2.426 713 3HG2 ILE 99 HG23 ILE 99 3.159 -0.402 1.713 714 1HD1 ILE 99 HD11 ILE 99 1.016 2.195 5.591 715 2HD1 ILE 99 HD12 ILE 99 -0.049 1.815 4.238 716 3HD1 ILE 99 HD13 ILE 99 1.083 3.161 4.118 717 H SER 100 HN SER 100 4.096 3.309 4.184 718 HA SER 100 HA SER 100 2.527 5.650 3.914 719 1HB SER 100 HB2 SER 100 3.538 4.639 6.056 720 2HB SER 100 HB1 SER 100 5.023 5.471 5.595 721 HG SER 100 HG SER 100 2.941 6.476 6.858 722 H ARG 101 HN ARG 101 5.992 5.030 3.418 723 HA ARG 101 HA ARG 101 6.692 7.638 2.647 724 1HB ARG 101 HB2 ARG 101 7.981 5.032 1.819 725 2HB ARG 101 HB1 ARG 101 8.718 6.625 1.712 726 1HG ARG 101 HG2 ARG 101 9.034 6.782 3.986 727 2HG ARG 101 HG1 ARG 101 7.748 5.631 4.350 728 1HD ARG 101 HD2 ARG 101 9.458 4.213 4.706 729 2HD ARG 101 HD1 ARG 101 9.438 4.055 2.951 730 HE ARG 101 HE ARG 101 11.416 5.426 4.564 731 1HH1 ARG 101 HH11 ARG 101 10.114 4.898 1.366 732 2HH1 ARG 101 HH12 ARG 101 11.556 5.415 0.561 733 1HH2 ARG 101 HH21 ARG 101 13.310 6.108 3.502 734 2HH2 ARG 101 HH22 ARG 101 13.369 6.102 1.771 735 H ASN 102 HN ASN 102 4.915 5.236 0.992 736 HA ASN 102 HA ASN 102 5.476 6.396 -1.631 737 1HB ASN 102 HB2 ASN 102 4.068 3.905 -0.708 738 2HB ASN 102 HB1 ASN 102 3.861 4.504 -2.352 739 1HD2 ASN 102 HD21 ASN 102 4.928 2.034 -1.906 740 2HD2 ASN 102 HD22 ASN 102 6.603 2.036 -2.326 741 H LEU 103 HN LEU 103 4.076 7.984 0.306 742 HA LEU 103 HA LEU 103 1.443 8.195 -1.001 743 1HB LEU 103 HB2 LEU 103 2.245 8.732 1.850 744 2HB LEU 103 HB1 LEU 103 0.765 9.371 1.162 745 HG LEU 103 HG LEU 103 1.441 6.434 1.337 746 1HD1 LEU 103 HD11 LEU 103 -0.781 7.069 2.934 747 2HD1 LEU 103 HD12 LEU 103 0.470 8.247 3.331 748 3HD1 LEU 103 HD13 LEU 103 0.810 6.522 3.460 749 1HD2 LEU 103 HD21 LEU 103 -0.721 7.981 0.079 750 2HD2 LEU 103 HD22 LEU 103 -1.243 6.604 1.049 751 3HD2 LEU 103 HD23 LEU 103 -0.115 6.365 -0.286 752 H VAL 104 HN VAL 104 1.292 9.918 -2.264 753 HA VAL 104 HA VAL 104 3.196 11.912 -2.505 754 HB VAL 104 HB VAL 104 1.194 13.256 -3.557 755 1HG1 VAL 104 HG11 VAL 104 1.954 10.658 -4.860 756 2HG1 VAL 104 HG12 VAL 104 3.103 11.983 -4.666 757 3HG1 VAL 104 HG13 VAL 104 1.637 12.220 -5.617 758 1HG2 VAL 104 HG21 VAL 104 0.000 10.518 -3.769 759 2HG2 VAL 104 HG22 VAL 104 -0.742 12.088 -4.076 760 3HG2 VAL 104 HG23 VAL 104 -0.424 11.572 -2.421 761 H SER 105 HN SER 105 0.065 13.326 -1.870 762 HA SER 105 HA SER 105 1.263 14.762 0.395 763 1HB SER 105 HB2 SER 105 -0.856 15.548 -1.603 764 2HB SER 105 HB1 SER 105 -0.611 16.440 -0.101 765 HG SER 105 HG SER 105 1.363 15.966 -2.086 766 H ALA 106 HN ALA 106 0.185 14.953 2.328 767 HA ALA 106 HA ALA 106 -1.854 12.949 2.834 768 1HB ALA 106 HB1 ALA 106 -1.523 14.109 5.228 769 2HB ALA 106 HB2 ALA 106 0.009 14.551 4.475 770 3HB ALA 106 HB3 ALA 106 -0.450 12.854 4.607 771 H ASN 107 HN ASN 107 -3.872 13.412 3.849 772 HA ASN 107 HA ASN 107 -5.267 15.575 2.730 773 1HB ASN 107 HB2 ASN 107 -6.210 13.363 3.593 774 2HB ASN 107 HB1 ASN 107 -6.149 14.085 5.199 775 1HD2 ASN 107 HD21 ASN 107 -7.406 14.606 1.941 776 2HD2 ASN 107 HD22 ASN 107 -8.842 15.431 2.435 777 H VAL 108 HN VAL 108 -4.577 17.595 3.185 778 HA VAL 108 HA VAL 108 -4.643 18.412 6.012 779 HB VAL 108 HB VAL 108 -2.313 18.324 4.868 780 1HG1 VAL 108 HG11 VAL 108 -1.672 20.301 3.638 781 2HG1 VAL 108 HG12 VAL 108 -3.305 20.955 3.783 782 3HG1 VAL 108 HG13 VAL 108 -3.017 19.507 2.818 783 1HG2 VAL 108 HG21 VAL 108 -2.930 19.380 7.063 784 2HG2 VAL 108 HG22 VAL 108 -3.108 20.905 6.196 785 3HG2 VAL 108 HG23 VAL 108 -1.541 20.098 6.247 786 H LYS 109 HN LYS 109 -5.139 20.700 6.353 787 HA LYS 109 HA LYS 109 -7.435 21.503 4.954 788 1HB LYS 109 HB2 LYS 109 -5.684 22.701 7.032 789 2HB LYS 109 HB1 LYS 109 -6.734 23.798 6.147 790 1HG LYS 109 HG2 LYS 109 -8.073 23.254 7.913 791 2HG LYS 109 HG1 LYS 109 -8.573 22.034 6.741 792 1HD LYS 109 HD2 LYS 109 -6.295 21.156 8.305 793 2HD LYS 109 HD1 LYS 109 -7.667 21.585 9.330 794 1HE LYS 109 HE2 LYS 109 -7.771 19.698 6.978 795 2HE LYS 109 HE1 LYS 109 -7.674 19.208 8.669 796 1HZ LYS 109 HZ1 LYS 109 -9.827 19.713 9.033 797 2HZ LYS 109 HZ2 LYS 109 -9.963 19.461 7.367 798 3HZ LYS 109 HZ3 LYS 109 -9.831 21.033 7.975 799 H GLU 110 HN GLU 110 -7.573 22.297 2.973 800 HA GLU 110 HA GLU 110 -6.951 23.173 0.952 801 1HB GLU 110 HB2 GLU 110 -6.172 25.576 1.155 802 2HB GLU 110 HB1 GLU 110 -7.694 25.185 1.942 803 1HG GLU 110 HG2 GLU 110 -6.607 25.108 4.095 804 2HG GLU 110 HG1 GLU 110 -5.036 25.374 3.341 805 H SER 111 HN SER 111 -5.355 21.798 0.211 806 HA SER 111 HA SER 111 -2.582 22.671 0.691 807 1HB SER 111 HB2 SER 111 -3.705 20.143 1.068 808 2HB SER 111 HB1 SER 111 -2.816 20.007 -0.448 809 HG SER 111 HG SER 111 -1.142 19.799 0.799 810 H SER 112 HN SER 112 -1.090 22.429 -1.109 811 HA SER 112 HA SER 112 -2.409 22.574 -3.737 812 1HB SER 112 HB2 SER 112 -0.461 24.461 -2.479 813 2HB SER 112 HB1 SER 112 -0.387 24.210 -4.223 814 HG SER 112 HG SER 112 -2.459 24.956 -4.414 815 H GLU 113 HN GLU 113 -1.842 20.658 -4.598 816 HA GLU 113 HA GLU 113 0.511 19.239 -4.118 817 1HB GLU 113 HB2 GLU 113 -0.045 18.007 -6.215 818 2HB GLU 113 HB1 GLU 113 -1.387 18.132 -5.086 819 1HG GLU 113 HG2 GLU 113 -2.594 18.836 -6.806 820 2HG GLU 113 HG1 GLU 113 -1.701 20.350 -6.683 821 H ASP 114 HN ASP 114 2.531 19.768 -4.575 822 HA ASP 114 HA ASP 114 3.058 21.389 -6.978 823 1HB ASP 114 HB2 ASP 114 3.660 22.085 -4.429 824 2HB ASP 114 HB1 ASP 114 5.139 21.242 -4.880 825 H ILE 115 HN ILE 115 5.004 20.929 -8.159 826 HA ILE 115 HA ILE 115 5.842 18.134 -7.929 827 HB ILE 115 HB ILE 115 6.040 19.850 -10.402 828 1HG1 ILE 115 HG12 ILE 115 3.917 17.780 -9.816 829 2HG1 ILE 115 HG11 ILE 115 3.663 19.511 -9.617 830 1HG2 ILE 115 HG21 ILE 115 7.443 18.141 -10.867 831 2HG2 ILE 115 HG22 ILE 115 5.937 17.320 -11.278 832 3HG2 ILE 115 HG23 ILE 115 6.684 17.056 -9.702 833 1HD1 ILE 115 HD11 ILE 115 2.780 18.638 -11.737 834 2HD1 ILE 115 HD12 ILE 115 4.416 18.172 -12.203 835 3HD1 ILE 115 HD13 ILE 115 4.017 19.874 -11.969 836 H PHE 116 HN PHE 116 7.616 18.202 -6.756 837 HA PHE 116 HA PHE 116 9.830 19.908 -7.676 838 1HB PHE 116 HB2 PHE 116 10.565 19.657 -5.149 839 2HB PHE 116 HB1 PHE 116 9.447 20.920 -5.650 840 HD1 PHE 116 HD1 PHE 116 8.005 21.295 -3.896 841 HD2 PHE 116 HD2 PHE 116 8.914 17.290 -5.009 842 HE1 PHE 116 HE1 PHE 116 6.350 20.473 -2.272 843 HE2 PHE 116 HE2 PHE 116 7.258 16.460 -3.387 844 HZ PHE 116 HZ PHE 116 5.974 18.052 -2.016 845 H GLY 117 HN GLY 117 9.173 17.170 -8.422 846 1HA GLY 117 HA2 GLY 117 10.588 15.411 -9.013 847 2HA GLY 117 HA1 GLY 117 11.777 16.013 -7.869 848 H ASN 118 HN ASN 118 8.384 15.200 -7.257 849 HA ASN 118 HA ASN 118 9.321 13.045 -5.477 850 1HB ASN 118 HB2 ASN 118 7.488 15.300 -4.984 851 2HB ASN 118 HB1 ASN 118 6.910 13.740 -4.407 852 1HD2 ASN 118 HD21 ASN 118 7.102 14.335 -2.261 853 2HD2 ASN 118 HD22 ASN 118 8.634 14.492 -1.478 854 H VAL 119 HN VAL 119 8.394 11.091 -5.688 855 HA VAL 119 HA VAL 119 6.490 10.732 -7.860 856 HB VAL 119 HB VAL 119 7.788 8.595 -6.169 857 1HG1 VAL 119 HG11 VAL 119 7.262 7.127 -8.030 858 2HG1 VAL 119 HG12 VAL 119 6.554 8.476 -8.919 859 3HG1 VAL 119 HG13 VAL 119 5.797 7.906 -7.432 860 1HG2 VAL 119 HG21 VAL 119 9.524 8.417 -7.781 861 2HG2 VAL 119 HG22 VAL 119 9.421 10.120 -7.331 862 3HG2 VAL 119 HG23 VAL 119 8.732 9.568 -8.858 863 H30 IMY 120 1H30 IMY 120 -0.110 -15.992 7.366 864 1H30 IMY 120 2H30 IMY 120 1.559 -15.420 6.975 865 2H30 IMY 120 3H30 IMY 120 0.990 -16.996 6.411 866 H26 IMY 120 H26 IMY 120 0.341 -13.520 7.405 867 H25 IMY 120 H25 IMY 120 -0.713 -11.340 7.305 868 H31 IMY 120 H31 IMY 120 -2.705 -13.783 1.917 869 1H32 IMY 120 1H32 IMY 120 -2.426 -10.974 0.664 870 2H32 IMY 120 2H32 IMY 120 -2.804 -12.472 -0.205 871 3H32 IMY 120 3H32 IMY 120 -3.978 -11.753 0.914 872 1H33 IMY 120 1H33 IMY 120 -0.345 -13.497 2.456 873 2H33 IMY 120 2H33 IMY 120 -0.583 -13.368 0.704 874 3H33 IMY 120 3H33 IMY 120 -0.306 -11.914 1.696 875 H28 IMY 120 H28 IMY 120 -1.211 -14.523 3.551 876 H4 IMY 120 H4 IMY 120 -3.301 -8.256 6.751 877 H3 IMY 120 H3 IMY 120 -3.794 -7.704 4.529 878 H18 IMY 120 H18 IMY 120 -0.766 -9.252 3.023 879 H17 IMY 120 H17 IMY 120 0.884 -8.045 1.700 880 H15 IMY 120 H15 IMY 120 -0.893 -4.317 2.725 881 H14 IMY 120 H14 IMY 120 -2.579 -5.468 4.107 882 H20 IMY 120 H20 IMY 120 -3.324 -5.676 6.941 883 H21 IMY 120 H21 IMY 120 -2.092 -3.803 7.908 884 H23 IMY 120 H23 IMY 120 1.570 -6.036 7.645 885 H24 IMY 120 H24 IMY 120 0.348 -7.976 6.818 Start of MODEL 11 1 1H ASN 13 HT1 ASN 13 -17.806 14.214 5.631 2 2H ASN 13 HT2 ASN 13 -18.595 13.778 4.171 3 3H ASN 13 HT3 ASN 13 -18.515 15.425 4.647 4 HA ASN 13 HA ASN 13 -16.111 13.821 4.169 5 1HB ASN 13 HB2 ASN 13 -18.102 14.804 2.264 6 2HB ASN 13 HB1 ASN 13 -16.484 15.415 1.933 7 1HD2 ASN 13 HD21 ASN 13 -18.053 12.369 2.867 8 2HD2 ASN 13 HD22 ASN 13 -17.143 11.375 1.786 9 H HIS 14 HN HIS 14 -16.842 15.888 6.132 10 HA HIS 14 HA HIS 14 -15.186 18.125 5.177 11 1HB HIS 14 HB2 HIS 14 -17.682 18.152 6.404 12 2HB HIS 14 HB1 HIS 14 -16.571 18.585 7.698 13 HD1 HIS 14 HD1 HIS 14 -18.695 20.359 5.832 14 HD2 HIS 14 HD2 HIS 14 -14.548 20.525 6.019 15 HE1 HIS 14 HE1 HIS 14 -18.077 22.654 5.012 16 HE2 HIS 14 HE2 HIS 14 -15.558 22.700 5.052 17 H ILE 15 HN ILE 15 -13.481 18.887 6.435 18 HA ILE 15 HA ILE 15 -12.514 16.975 8.447 19 HB ILE 15 HB ILE 15 -10.898 19.061 6.978 20 1HG1 ILE 15 HG12 ILE 15 -10.489 16.223 6.311 21 2HG1 ILE 15 HG11 ILE 15 -12.046 16.869 5.803 22 1HG2 ILE 15 HG21 ILE 15 -9.066 17.345 7.690 23 2HG2 ILE 15 HG22 ILE 15 -10.254 16.879 8.908 24 3HG2 ILE 15 HG23 ILE 15 -9.660 18.539 8.845 25 1HD1 ILE 15 HD11 ILE 15 -10.189 16.990 4.117 26 2HD1 ILE 15 HD12 ILE 15 -9.438 18.205 5.152 27 3HD1 ILE 15 HD13 ILE 15 -11.027 18.507 4.447 28 H SER 16 HN SER 16 -11.261 17.915 10.289 29 HA SER 16 HA SER 16 -11.585 20.673 10.949 30 1HB SER 16 HB2 SER 16 -13.882 19.891 11.393 31 2HB SER 16 HB1 SER 16 -13.248 18.670 12.497 32 HG SER 16 HG SER 16 -13.827 21.219 13.003 33 H THR 17 HN THR 17 -11.501 17.623 12.803 34 HA THR 17 HA THR 17 -8.752 18.139 13.577 35 HB THR 17 HB THR 17 -9.591 17.656 16.048 36 HG1 THR 17 HG1 THR 17 -11.577 18.465 16.459 37 1HG2 THR 17 HG21 THR 17 -8.615 19.626 16.267 38 2HG2 THR 17 HG22 THR 17 -10.170 20.367 15.889 39 3HG2 THR 17 HG23 THR 17 -8.998 20.071 14.605 40 H SER 18 HN SER 18 -11.326 16.168 15.036 41 HA SER 18 HA SER 18 -9.768 13.861 15.280 42 1HB SER 18 HB2 SER 18 -11.717 14.009 16.626 43 2HB SER 18 HB1 SER 18 -12.755 14.283 15.226 44 HG SER 18 HG SER 18 -11.281 11.894 15.575 45 H ASP 19 HN ASP 19 -9.253 12.239 13.941 46 HA ASP 19 HA ASP 19 -10.761 11.325 11.775 47 1HB ASP 19 HB2 ASP 19 -9.781 13.724 11.071 48 2HB ASP 19 HB1 ASP 19 -8.405 12.721 10.621 49 H GLN 20 HN GLN 20 -9.690 9.646 10.569 50 HA GLN 20 HA GLN 20 -7.986 8.052 12.103 51 1HB GLN 20 HB2 GLN 20 -8.595 8.006 9.146 52 2HB GLN 20 HB1 GLN 20 -7.658 6.761 9.959 53 1HG GLN 20 HG2 GLN 20 -9.489 5.997 11.169 54 2HG GLN 20 HG1 GLN 20 -10.401 7.483 10.907 55 1HE2 GLN 20 HE21 GLN 20 -10.404 7.890 8.307 56 2HE2 GLN 20 HE22 GLN 20 -11.103 6.566 7.445 57 H GLU 21 HN GLU 21 -5.794 7.278 11.463 58 HA GLU 21 HA GLU 21 -4.184 9.294 10.087 59 1HB GLU 21 HB2 GLU 21 -3.467 8.219 12.817 60 2HB GLU 21 HB1 GLU 21 -2.534 9.368 11.869 61 1HG GLU 21 HG2 GLU 21 -4.473 10.935 12.012 62 2HG GLU 21 HG1 GLU 21 -5.222 9.805 13.139 63 H LYS 22 HN LYS 22 -1.815 8.495 9.982 64 HA LYS 22 HA LYS 22 -0.294 6.962 9.262 65 1HB LYS 22 HB2 LYS 22 -2.222 4.900 10.329 66 2HB LYS 22 HB1 LYS 22 -0.550 4.610 9.875 67 1HG LYS 22 HG2 LYS 22 -0.931 6.734 11.860 68 2HG LYS 22 HG1 LYS 22 -1.401 5.119 12.394 69 1HD LYS 22 HD2 LYS 22 0.860 4.345 11.514 70 2HD LYS 22 HD1 LYS 22 1.284 6.055 11.411 71 1HE LYS 22 HE2 LYS 22 1.751 6.103 13.581 72 2HE LYS 22 HE1 LYS 22 0.130 5.531 13.971 73 1HZ LYS 22 HZ1 LYS 22 2.118 3.583 13.052 74 2HZ LYS 22 HZ2 LYS 22 0.826 3.378 14.123 75 3HZ LYS 22 HZ3 LYS 22 2.234 4.161 14.638 76 H LEU 23 HN LEU 23 -3.160 7.521 7.931 77 HA LEU 23 HA LEU 23 -3.322 5.383 6.020 78 1HB LEU 23 HB2 LEU 23 -4.652 8.029 5.625 79 2HB LEU 23 HB1 LEU 23 -5.212 6.431 5.175 80 HG LEU 23 HG LEU 23 -4.969 6.809 8.073 81 1HD1 LEU 23 HD11 LEU 23 -7.086 8.364 6.602 82 2HD1 LEU 23 HD12 LEU 23 -5.644 9.089 7.313 83 3HD1 LEU 23 HD13 LEU 23 -6.825 8.283 8.345 84 1HD2 LEU 23 HD21 LEU 23 -6.431 5.142 7.985 85 2HD2 LEU 23 HD22 LEU 23 -6.405 5.230 6.224 86 3HD2 LEU 23 HD23 LEU 23 -7.588 6.167 7.135 87 H VAL 24 HN VAL 24 -2.215 5.206 4.196 88 HA VAL 24 HA VAL 24 -0.767 7.562 3.210 89 HB VAL 24 HB VAL 24 0.446 5.805 1.774 90 1HG1 VAL 24 HG11 VAL 24 1.514 6.947 3.616 91 2HG1 VAL 24 HG12 VAL 24 1.973 5.243 3.633 92 3HG1 VAL 24 HG13 VAL 24 0.768 5.843 4.772 93 1HG2 VAL 24 HG21 VAL 24 0.443 3.538 2.558 94 2HG2 VAL 24 HG22 VAL 24 -1.223 4.008 2.217 95 3HG2 VAL 24 HG23 VAL 24 -0.647 3.947 3.883 96 H GLN 25 HN GLN 25 -0.611 7.758 0.788 97 HA GLN 25 HA GLN 25 -3.200 7.024 -0.406 98 1HB GLN 25 HB2 GLN 25 -2.751 9.462 -0.012 99 2HB GLN 25 HB1 GLN 25 -1.442 9.349 -1.178 100 1HG GLN 25 HG2 GLN 25 -3.058 10.063 -2.576 101 2HG GLN 25 HG1 GLN 25 -3.394 8.336 -2.669 102 1HE2 GLN 25 HE21 GLN 25 -4.892 11.135 -2.561 103 2HE2 GLN 25 HE22 GLN 25 -6.300 10.736 -1.642 104 HA PRO 26 HA PRO 26 -0.300 4.541 -2.936 105 1HB PRO 26 HB2 PRO 26 -2.861 3.298 -3.738 106 2HB PRO 26 HB1 PRO 26 -1.393 2.539 -3.119 107 1HG PRO 26 HG2 PRO 26 -3.585 2.730 -1.607 108 2HG PRO 26 HG1 PRO 26 -1.968 2.932 -0.905 109 1HD PRO 26 HD2 PRO 26 -3.979 5.022 -1.665 110 2HD PRO 26 HD1 PRO 26 -2.949 4.924 -0.221 111 H THR 27 HN THR 27 0.300 5.038 -4.970 112 HA THR 27 HA THR 27 -0.876 7.012 -6.500 113 HB THR 27 HB THR 27 0.393 5.818 -8.445 114 HG1 THR 27 HG1 THR 27 1.552 4.120 -7.931 115 1HG2 THR 27 HG21 THR 27 2.560 6.568 -7.643 116 2HG2 THR 27 HG22 THR 27 1.910 6.725 -6.011 117 3HG2 THR 27 HG23 THR 27 1.306 7.761 -7.304 118 HA PRO 28 HA PRO 28 -4.416 5.591 -8.677 119 1HB PRO 28 HB2 PRO 28 -3.450 5.703 -11.341 120 2HB PRO 28 HB1 PRO 28 -4.367 6.943 -10.486 121 1HG PRO 28 HG2 PRO 28 -1.444 6.729 -10.941 122 2HG PRO 28 HG1 PRO 28 -2.456 8.172 -10.761 123 1HD PRO 28 HD2 PRO 28 -0.811 7.353 -8.805 124 2HD PRO 28 HD1 PRO 28 -2.392 8.081 -8.446 125 H LEU 29 HN LEU 29 -1.317 4.181 -9.551 126 HA LEU 29 HA LEU 29 -2.451 1.861 -10.802 127 1HB LEU 29 HB2 LEU 29 -0.204 2.725 -11.367 128 2HB LEU 29 HB1 LEU 29 0.344 2.315 -9.753 129 HG LEU 29 HG LEU 29 0.222 -0.005 -10.177 130 1HD1 LEU 29 HD11 LEU 29 -0.616 -0.571 -12.668 131 2HD1 LEU 29 HD12 LEU 29 -1.652 0.809 -12.303 132 3HD1 LEU 29 HD13 LEU 29 -1.667 -0.608 -11.252 133 1HD2 LEU 29 HD21 LEU 29 1.290 1.472 -12.572 134 2HD2 LEU 29 HD22 LEU 29 1.528 -0.256 -12.312 135 3HD2 LEU 29 HD23 LEU 29 2.180 0.907 -11.159 136 H LEU 30 HN LEU 30 -0.647 2.344 -7.756 137 HA LEU 30 HA LEU 30 -1.041 -0.200 -6.700 138 1HB LEU 30 HB2 LEU 30 0.462 1.665 -5.833 139 2HB LEU 30 HB1 LEU 30 -0.963 2.322 -5.053 140 HG LEU 30 HG LEU 30 -1.148 0.461 -3.591 141 1HD1 LEU 30 HD11 LEU 30 0.716 -1.372 -3.860 142 2HD1 LEU 30 HD12 LEU 30 0.661 -0.863 -5.548 143 3HD1 LEU 30 HD13 LEU 30 -0.796 -1.471 -4.763 144 1HD2 LEU 30 HD21 LEU 30 0.997 2.137 -3.548 145 2HD2 LEU 30 HD22 LEU 30 1.780 0.557 -3.486 146 3HD2 LEU 30 HD23 LEU 30 0.582 0.996 -2.269 147 H LEU 31 HN LEU 31 -3.097 2.623 -6.719 148 HA LEU 31 HA LEU 31 -5.013 1.940 -4.838 149 1HB LEU 31 HB2 LEU 31 -4.848 3.700 -7.173 150 2HB LEU 31 HB1 LEU 31 -6.477 3.149 -6.832 151 HG LEU 31 HG LEU 31 -4.679 4.561 -4.861 152 1HD1 LEU 31 HD11 LEU 31 -7.178 5.777 -5.872 153 2HD1 LEU 31 HD12 LEU 31 -5.797 5.751 -6.968 154 3HD1 LEU 31 HD13 LEU 31 -5.657 6.532 -5.393 155 1HD2 LEU 31 HD21 LEU 31 -6.693 2.861 -4.269 156 2HD2 LEU 31 HD22 LEU 31 -7.579 4.378 -4.422 157 3HD2 LEU 31 HD23 LEU 31 -6.244 4.248 -3.277 158 H SER 32 HN SER 32 -5.276 1.409 -8.361 159 HA SER 32 HA SER 32 -7.578 -0.066 -8.446 160 1HB SER 32 HB2 SER 32 -6.509 0.585 -10.492 161 2HB SER 32 HB1 SER 32 -5.071 -0.363 -10.113 162 HG SER 32 HG SER 32 -7.649 -1.486 -10.470 163 H LEU 33 HN LEU 33 -4.333 -1.236 -7.635 164 HA LEU 33 HA LEU 33 -4.926 -3.982 -7.606 165 1HB LEU 33 HB2 LEU 33 -3.071 -2.971 -5.529 166 2HB LEU 33 HB1 LEU 33 -2.882 -4.306 -6.637 167 HG LEU 33 HG LEU 33 -2.434 -1.386 -7.215 168 1HD1 LEU 33 HD11 LEU 33 -0.196 -1.888 -7.370 169 2HD1 LEU 33 HD12 LEU 33 -0.492 -3.592 -7.714 170 3HD1 LEU 33 HD13 LEU 33 -0.702 -2.974 -6.075 171 1HD2 LEU 33 HD21 LEU 33 -3.294 -1.941 -9.242 172 2HD2 LEU 33 HD22 LEU 33 -2.953 -3.659 -9.041 173 3HD2 LEU 33 HD23 LEU 33 -1.656 -2.548 -9.478 174 H LEU 34 HN LEU 34 -5.234 -1.486 -5.127 175 HA LEU 34 HA LEU 34 -6.189 -3.240 -3.088 176 1HB LEU 34 HB2 LEU 34 -6.742 -0.280 -3.294 177 2HB LEU 34 HB1 LEU 34 -6.699 -1.262 -1.844 178 HG LEU 34 HG LEU 34 -4.320 -0.528 -3.550 179 1HD1 LEU 34 HD11 LEU 34 -5.099 1.360 -2.283 180 2HD1 LEU 34 HD12 LEU 34 -3.636 0.727 -1.528 181 3HD1 LEU 34 HD13 LEU 34 -5.214 0.381 -0.820 182 1HD2 LEU 34 HD21 LEU 34 -3.739 -2.595 -2.698 183 2HD2 LEU 34 HD22 LEU 34 -4.671 -2.361 -1.219 184 3HD2 LEU 34 HD23 LEU 34 -3.148 -1.501 -1.447 185 H LYS 35 HN LYS 35 -7.633 -1.196 -5.543 186 HA LYS 35 HA LYS 35 -10.311 -1.316 -4.843 187 1HB LYS 35 HB2 LYS 35 -8.991 -1.234 -7.560 188 2HB LYS 35 HB1 LYS 35 -10.716 -1.029 -7.323 189 1HG LYS 35 HG2 LYS 35 -8.493 0.764 -6.405 190 2HG LYS 35 HG1 LYS 35 -9.809 1.135 -7.520 191 1HD LYS 35 HD2 LYS 35 -11.406 0.835 -5.633 192 2HD LYS 35 HD1 LYS 35 -10.025 0.638 -4.552 193 1HE LYS 35 HE2 LYS 35 -10.769 2.909 -4.412 194 2HE LYS 35 HE1 LYS 35 -9.228 2.884 -5.266 195 1HZ LYS 35 HZ1 LYS 35 -10.794 4.350 -6.355 196 2HZ LYS 35 HZ2 LYS 35 -11.910 3.091 -6.525 197 3HZ LYS 35 HZ3 LYS 35 -10.441 3.035 -7.361 198 H SER 36 HN SER 36 -8.367 -3.591 -6.720 199 HA SER 36 HA SER 36 -10.598 -5.402 -7.077 200 1HB SER 36 HB2 SER 36 -8.131 -4.965 -8.385 201 2HB SER 36 HB1 SER 36 -8.059 -6.597 -7.723 202 HG SER 36 HG SER 36 -9.033 -6.338 -9.879 203 H ALA 37 HN ALA 37 -8.070 -4.887 -4.806 204 HA ALA 37 HA ALA 37 -8.091 -7.594 -3.780 205 1HB ALA 37 HB1 ALA 37 -6.499 -6.735 -2.116 206 2HB ALA 37 HB2 ALA 37 -6.728 -5.107 -2.751 207 3HB ALA 37 HB3 ALA 37 -6.006 -6.356 -3.766 208 H GLY 38 HN GLY 38 -10.363 -5.327 -3.615 209 1HA GLY 38 HA2 GLY 38 -12.258 -5.500 -2.209 210 2HA GLY 38 HA1 GLY 38 -11.246 -6.239 -0.977 211 H ALA 39 HN ALA 39 -10.572 -3.268 -2.747 212 HA ALA 39 HA ALA 39 -10.710 -1.819 -0.191 213 1HB ALA 39 HB1 ALA 39 -9.115 -0.787 -2.489 214 2HB ALA 39 HB2 ALA 39 -8.481 -2.130 -1.536 215 3HB ALA 39 HB3 ALA 39 -8.854 -0.597 -0.757 216 H GLN 40 HN GLN 40 -11.683 0.308 -0.183 217 HA GLN 40 HA GLN 40 -13.272 0.891 -2.593 218 1HB GLN 40 HB2 GLN 40 -14.360 0.199 -0.276 219 2HB GLN 40 HB1 GLN 40 -14.108 1.902 0.085 220 1HG GLN 40 HG2 GLN 40 -16.341 1.533 -0.760 221 2HG GLN 40 HG1 GLN 40 -15.409 2.514 -1.890 222 1HE2 GLN 40 HE21 GLN 40 -16.465 -0.790 -1.238 223 2HE2 GLN 40 HE22 GLN 40 -16.538 -1.285 -2.892 224 H LYS 41 HN LYS 41 -12.279 2.647 0.352 225 HA LYS 41 HA LYS 41 -12.269 5.184 -0.755 226 1HB LYS 41 HB2 LYS 41 -10.676 5.772 1.099 227 2HB LYS 41 HB1 LYS 41 -12.148 4.961 1.612 228 1HG LYS 41 HG2 LYS 41 -9.947 3.132 1.057 229 2HG LYS 41 HG1 LYS 41 -9.609 4.281 2.351 230 1HD LYS 41 HD2 LYS 41 -11.925 3.608 3.257 231 2HD LYS 41 HD1 LYS 41 -11.779 2.219 2.180 232 1HE LYS 41 HE2 LYS 41 -9.350 2.590 3.676 233 2HE LYS 41 HE1 LYS 41 -10.732 2.496 4.765 234 1HZ LYS 41 HZ1 LYS 41 -9.538 0.445 3.127 235 2HZ LYS 41 HZ2 LYS 41 -11.227 0.490 3.042 236 3HZ LYS 41 HZ3 LYS 41 -10.461 0.303 4.538 237 H GLU 42 HN GLU 42 -10.052 6.523 -0.687 238 HA GLU 42 HA GLU 42 -8.381 5.277 -2.750 239 1HB GLU 42 HB2 GLU 42 -8.521 8.184 -1.934 240 2HB GLU 42 HB1 GLU 42 -7.684 7.526 -3.333 241 1HG GLU 42 HG2 GLU 42 -10.650 7.270 -2.945 242 2HG GLU 42 HG1 GLU 42 -9.902 8.637 -3.769 243 H THR 43 HN THR 43 -8.279 6.542 0.490 244 HA THR 43 HA THR 43 -5.357 6.196 0.543 245 HB THR 43 HB THR 43 -6.644 7.388 2.904 246 HG1 THR 43 HG1 THR 43 -7.891 8.597 1.697 247 1HG2 THR 43 HG21 THR 43 -4.309 8.089 1.166 248 2HG2 THR 43 HG22 THR 43 -4.312 7.544 2.843 249 3HG2 THR 43 HG23 THR 43 -4.899 9.157 2.438 250 H PHE 44 HN PHE 44 -4.388 4.869 2.066 251 HA PHE 44 HA PHE 44 -6.090 3.383 3.913 252 1HB PHE 44 HB2 PHE 44 -4.296 1.988 1.921 253 2HB PHE 44 HB1 PHE 44 -5.283 1.216 3.155 254 HD1 PHE 44 HD1 PHE 44 -5.419 3.206 0.045 255 HD2 PHE 44 HD2 PHE 44 -7.529 0.686 2.750 256 HE1 PHE 44 HE1 PHE 44 -7.268 3.030 -1.569 257 HE2 PHE 44 HE2 PHE 44 -9.383 0.512 1.140 258 HZ PHE 44 HZ PHE 44 -9.254 1.685 -1.020 259 H THR 45 HN THR 45 -5.015 2.552 5.687 260 HA THR 45 HA THR 45 -2.432 3.702 6.232 261 HB THR 45 HB THR 45 -2.695 2.463 8.429 262 HG1 THR 45 HG1 THR 45 -5.332 1.981 7.539 263 1HG2 THR 45 HG21 THR 45 -4.439 4.605 7.451 264 2HG2 THR 45 HG22 THR 45 -3.423 4.529 8.888 265 3HG2 THR 45 HG23 THR 45 -5.012 3.766 8.892 266 H MET 46 HN MET 46 -0.529 2.519 6.708 267 HA MET 46 HA MET 46 0.309 0.685 4.932 268 1HB MET 46 HB2 MET 46 1.163 1.398 7.657 269 2HB MET 46 HB1 MET 46 1.757 -0.149 7.064 270 1HG MET 46 HG2 MET 46 2.194 1.480 4.925 271 2HG MET 46 HG1 MET 46 2.476 2.569 6.279 272 1HE MET 46 HE1 MET 46 3.116 -1.294 5.678 273 2HE MET 46 HE2 MET 46 4.838 -1.253 5.298 274 3HE MET 46 HE3 MET 46 3.681 -0.456 4.233 275 H LYS 47 HN LYS 47 -1.200 -0.169 8.048 276 HA LYS 47 HA LYS 47 -0.944 -2.936 7.847 277 1HB LYS 47 HB2 LYS 47 -3.200 -1.344 9.084 278 2HB LYS 47 HB1 LYS 47 -2.904 -3.054 9.361 279 1HG LYS 47 HG2 LYS 47 -1.183 -0.731 10.178 280 2HG LYS 47 HG1 LYS 47 -2.032 -1.873 11.220 281 1HD LYS 47 HD2 LYS 47 0.287 -2.508 9.393 282 2HD LYS 47 HD1 LYS 47 0.348 -2.374 11.148 283 1HE LYS 47 HE2 LYS 47 0.151 -4.628 10.953 284 2HE LYS 47 HE1 LYS 47 -1.554 -4.200 11.006 285 1HZ LYS 47 HZ1 LYS 47 -1.750 -4.497 8.703 286 2HZ LYS 47 HZ2 LYS 47 -0.829 -5.814 9.226 287 3HZ LYS 47 HZ3 LYS 47 -0.074 -4.510 8.461 288 H GLU 48 HN GLU 48 -3.628 -0.865 6.741 289 HA GLU 48 HA GLU 48 -5.108 -2.986 5.573 290 1HB GLU 48 HB2 GLU 48 -5.197 -0.068 4.804 291 2HB GLU 48 HB1 GLU 48 -6.448 -1.271 4.530 292 1HG GLU 48 HG2 GLU 48 -5.566 -0.121 7.163 293 2HG GLU 48 HG1 GLU 48 -7.117 0.097 6.357 294 H VAL 49 HN VAL 49 -2.810 -0.623 4.295 295 HA VAL 49 HA VAL 49 -2.938 -1.284 1.589 296 HB VAL 49 HB VAL 49 -0.356 -0.561 2.963 297 1HG1 VAL 49 HG11 VAL 49 -1.488 -0.225 0.212 298 2HG1 VAL 49 HG12 VAL 49 0.047 -0.938 0.708 299 3HG1 VAL 49 HG13 VAL 49 -0.181 0.809 0.790 300 1HG2 VAL 49 HG21 VAL 49 -2.792 0.922 3.078 301 2HG2 VAL 49 HG22 VAL 49 -1.644 1.791 2.059 302 3HG2 VAL 49 HG23 VAL 49 -1.200 1.353 3.709 303 H LEU 50 HN LEU 50 -0.713 -2.488 4.075 304 HA LEU 50 HA LEU 50 0.535 -4.425 2.442 305 1HB LEU 50 HB2 LEU 50 0.784 -3.434 5.076 306 2HB LEU 50 HB1 LEU 50 0.585 -5.167 5.220 307 HG LEU 50 HG LEU 50 2.645 -3.886 3.427 308 1HD1 LEU 50 HD11 LEU 50 3.394 -5.133 6.013 309 2HD1 LEU 50 HD12 LEU 50 2.734 -3.498 6.041 310 3HD1 LEU 50 HD13 LEU 50 4.185 -3.847 5.102 311 1HD2 LEU 50 HD21 LEU 50 2.382 -6.681 4.529 312 2HD2 LEU 50 HD22 LEU 50 3.686 -6.089 3.500 313 3HD2 LEU 50 HD23 LEU 50 2.041 -6.188 2.870 314 H TYR 51 HN TYR 51 -2.510 -4.362 3.998 315 HA TYR 51 HA TYR 51 -2.786 -7.205 4.309 316 1HB TYR 51 HB2 TYR 51 -3.981 -5.623 5.774 317 2HB TYR 51 HB1 TYR 51 -4.898 -5.040 4.390 318 HD1 TYR 51 HD1 TYR 51 -4.100 -8.278 6.084 319 HD2 TYR 51 HD2 TYR 51 -7.011 -5.909 4.081 320 HE1 TYR 51 HE1 TYR 51 -5.785 -10.026 6.477 321 HE2 TYR 51 HE2 TYR 51 -8.704 -7.649 4.470 322 HH TYR 51 HH TYR 51 -8.382 -10.461 4.929 323 H HIS 52 HN HIS 52 -4.374 -4.814 2.157 324 HA HIS 52 HA HIS 52 -5.738 -6.683 0.597 325 1HB HIS 52 HB2 HIS 52 -4.674 -4.198 -0.687 326 2HB HIS 52 HB1 HIS 52 -6.239 -4.969 -0.879 327 HD1 HIS 52 HD1 HIS 52 -7.637 -4.894 1.611 328 HD2 HIS 52 HD2 HIS 52 -4.927 -1.885 0.676 329 HE1 HIS 52 HE1 HIS 52 -8.285 -2.934 3.047 330 HE2 HIS 52 HE2 HIS 52 -6.681 -1.100 2.406 331 H LEU 53 HN LEU 53 -2.488 -5.311 0.192 332 HA LEU 53 HA LEU 53 -1.748 -6.274 -2.229 333 1HB LEU 53 HB2 LEU 53 -0.469 -5.309 0.105 334 2HB LEU 53 HB1 LEU 53 0.396 -6.747 -0.404 335 HG LEU 53 HG LEU 53 0.836 -5.815 -2.547 336 1HD1 LEU 53 HD11 LEU 53 -0.859 -4.598 -3.373 337 2HD1 LEU 53 HD12 LEU 53 0.076 -3.253 -2.715 338 3HD1 LEU 53 HD13 LEU 53 -1.278 -3.918 -1.799 339 1HD2 LEU 53 HD21 LEU 53 2.551 -5.042 -1.283 340 2HD2 LEU 53 HD22 LEU 53 1.481 -4.226 -0.143 341 3HD2 LEU 53 HD23 LEU 53 1.831 -3.489 -1.707 342 H GLY 54 HN GLY 54 -1.528 -8.061 0.856 343 1HA GLY 54 HA2 GLY 54 -0.498 -10.446 -0.160 344 2HA GLY 54 HA1 GLY 54 -1.512 -10.326 1.272 345 H GLN 55 HN GLN 55 -3.820 -9.283 0.003 346 HA GLN 55 HA GLN 55 -4.912 -11.732 -1.065 347 1HB GLN 55 HB2 GLN 55 -6.174 -9.020 -0.622 348 2HB GLN 55 HB1 GLN 55 -7.045 -10.466 -1.113 349 1HG GLN 55 HG2 GLN 55 -5.925 -11.443 1.072 350 2HG GLN 55 HG1 GLN 55 -5.898 -9.739 1.522 351 1HE2 GLN 55 HE21 GLN 55 -7.347 -10.499 3.226 352 2HE2 GLN 55 HE22 GLN 55 -9.038 -10.610 2.890 353 H TYR 56 HN TYR 56 -3.677 -8.749 -2.289 354 HA TYR 56 HA TYR 56 -4.983 -8.766 -4.814 355 1HB TYR 56 HB2 TYR 56 -4.084 -6.687 -4.097 356 2HB TYR 56 HB1 TYR 56 -2.509 -7.396 -3.762 357 HD1 TYR 56 HD1 TYR 56 -4.831 -6.526 -6.527 358 HD2 TYR 56 HD2 TYR 56 -0.825 -7.383 -5.388 359 HE1 TYR 56 HE1 TYR 56 -4.067 -5.900 -8.778 360 HE2 TYR 56 HE2 TYR 56 -0.045 -6.749 -7.633 361 HH TYR 56 HH TYR 56 -2.104 -5.203 -9.930 362 H ILE 57 HN ILE 57 -1.751 -9.794 -3.744 363 HA ILE 57 HA ILE 57 -0.840 -10.715 -6.232 364 HB ILE 57 HB ILE 57 -0.061 -11.763 -3.508 365 1HG1 ILE 57 HG12 ILE 57 1.044 -9.455 -5.123 366 2HG1 ILE 57 HG11 ILE 57 0.180 -9.340 -3.594 367 1HG2 ILE 57 HG21 ILE 57 0.621 -12.796 -5.926 368 2HG2 ILE 57 HG22 ILE 57 1.614 -12.906 -4.473 369 3HG2 ILE 57 HG23 ILE 57 1.928 -11.642 -5.662 370 1HD1 ILE 57 HD11 ILE 57 2.764 -10.835 -3.865 371 2HD1 ILE 57 HD12 ILE 57 1.970 -10.267 -2.396 372 3HD1 ILE 57 HD13 ILE 57 2.693 -9.108 -3.511 373 H MET 58 HN MET 58 -2.183 -12.581 -3.496 374 HA MET 58 HA MET 58 -2.239 -15.058 -4.788 375 1HB MET 58 HB2 MET 58 -3.879 -15.724 -3.084 376 2HB MET 58 HB1 MET 58 -2.531 -14.843 -2.377 377 1HG MET 58 HG2 MET 58 -3.933 -13.416 -1.452 378 2HG MET 58 HG1 MET 58 -4.536 -12.960 -3.043 379 1HE MET 58 HE1 MET 58 -4.907 -14.949 0.115 380 2HE MET 58 HE2 MET 58 -6.639 -15.274 0.182 381 3HE MET 58 HE3 MET 58 -6.053 -13.611 0.210 382 H ALA 59 HN ALA 59 -4.403 -12.333 -4.962 383 HA ALA 59 HA ALA 59 -6.564 -13.741 -6.206 384 1HB ALA 59 HB1 ALA 59 -7.215 -11.300 -6.838 385 2HB ALA 59 HB2 ALA 59 -5.915 -10.862 -5.729 386 3HB ALA 59 HB3 ALA 59 -7.283 -11.814 -5.152 387 H LYS 60 HN LYS 60 -4.248 -11.320 -7.447 388 HA LYS 60 HA LYS 60 -4.906 -11.708 -10.161 389 1HB LYS 60 HB2 LYS 60 -2.606 -10.453 -8.710 390 2HB LYS 60 HB1 LYS 60 -2.503 -10.696 -10.448 391 1HG LYS 60 HG2 LYS 60 -3.278 -8.447 -9.825 392 2HG LYS 60 HG1 LYS 60 -4.446 -9.329 -10.809 393 1HD LYS 60 HD2 LYS 60 -5.682 -9.921 -8.763 394 2HD LYS 60 HD1 LYS 60 -4.532 -8.980 -7.813 395 1HE LYS 60 HE2 LYS 60 -5.999 -7.306 -8.095 396 2HE LYS 60 HE1 LYS 60 -5.281 -7.171 -9.699 397 1HZ LYS 60 HZ1 LYS 60 -7.111 -9.044 -10.140 398 2HZ LYS 60 HZ2 LYS 60 -7.412 -7.392 -10.336 399 3HZ LYS 60 HZ3 LYS 60 -7.890 -8.175 -8.915 400 H GLN 61 HN GLN 61 -2.871 -13.444 -7.971 401 HA GLN 61 HA GLN 61 -1.781 -15.428 -8.168 402 1HB GLN 61 HB2 GLN 61 -3.739 -15.972 -9.698 403 2HB GLN 61 HB1 GLN 61 -2.683 -15.559 -11.042 404 1HG GLN 61 HG2 GLN 61 -1.709 -17.545 -10.984 405 2HG GLN 61 HG1 GLN 61 -1.383 -17.403 -9.257 406 1HE2 GLN 61 HE21 GLN 61 -3.915 -17.303 -8.228 407 2HE2 GLN 61 HE22 GLN 61 -4.723 -18.802 -8.519 408 H LEU 62 HN LEU 62 -0.061 -13.611 -8.101 409 HA LEU 62 HA LEU 62 1.575 -13.626 -10.536 410 1HB LEU 62 HB2 LEU 62 2.218 -12.013 -8.100 411 2HB LEU 62 HB1 LEU 62 2.627 -11.695 -9.773 412 HG LEU 62 HG LEU 62 -0.023 -11.282 -8.407 413 1HD1 LEU 62 HD11 LEU 62 0.351 -8.995 -9.482 414 2HD1 LEU 62 HD12 LEU 62 2.017 -9.522 -9.726 415 3HD1 LEU 62 HD13 LEU 62 1.354 -9.418 -8.094 416 1HD2 LEU 62 HD21 LEU 62 -0.824 -12.101 -10.393 417 2HD2 LEU 62 HD22 LEU 62 0.605 -11.606 -11.300 418 3HD2 LEU 62 HD23 LEU 62 -0.591 -10.406 -10.816 419 H TYR 63 HN TYR 63 1.297 -15.309 -7.673 420 HA TYR 63 HA TYR 63 4.096 -15.634 -7.098 421 1HB TYR 63 HB2 TYR 63 3.326 -17.319 -5.468 422 2HB TYR 63 HB1 TYR 63 2.464 -15.794 -5.297 423 HD1 TYR 63 HD1 TYR 63 2.167 -19.187 -6.796 424 HD2 TYR 63 HD2 TYR 63 0.128 -15.744 -5.350 425 HE1 TYR 63 HE1 TYR 63 0.025 -20.375 -7.004 426 HE2 TYR 63 HE2 TYR 63 -2.020 -16.922 -5.556 427 HH TYR 63 HH TYR 63 -3.004 -18.772 -6.709 428 H ASP 64 HN ASP 64 5.123 -17.792 -7.083 429 HA ASP 64 HA ASP 64 4.542 -19.175 -9.597 430 1HB ASP 64 HB2 ASP 64 6.846 -18.276 -9.122 431 2HB ASP 64 HB1 ASP 64 6.978 -19.467 -7.832 432 H GLU 65 HN GLU 65 4.253 -21.393 -9.736 433 HA GLU 65 HA GLU 65 2.905 -22.644 -7.614 434 1HB GLU 65 HB2 GLU 65 3.978 -23.532 -10.254 435 2HB GLU 65 HB1 GLU 65 3.501 -24.764 -9.094 436 1HG GLU 65 HG2 GLU 65 1.339 -23.172 -8.994 437 2HG GLU 65 HG1 GLU 65 1.857 -22.889 -10.655 438 H LYS 66 HN LYS 66 6.167 -23.250 -8.927 439 HA LYS 66 HA LYS 66 6.936 -25.204 -7.086 440 1HB LYS 66 HB2 LYS 66 8.709 -23.146 -8.416 441 2HB LYS 66 HB1 LYS 66 9.234 -24.672 -7.718 442 1HG LYS 66 HG2 LYS 66 8.884 -25.695 -9.645 443 2HG LYS 66 HG1 LYS 66 7.186 -25.220 -9.610 444 1HD LYS 66 HD2 LYS 66 8.353 -22.898 -10.382 445 2HD LYS 66 HD1 LYS 66 9.444 -24.078 -11.113 446 1HE LYS 66 HE2 LYS 66 7.510 -25.174 -12.171 447 2HE LYS 66 HE1 LYS 66 6.451 -23.947 -11.475 448 1HZ LYS 66 HZ1 LYS 66 7.422 -22.282 -12.798 449 2HZ LYS 66 HZ2 LYS 66 7.163 -23.585 -13.845 450 3HZ LYS 66 HZ3 LYS 66 8.718 -23.269 -13.258 451 H GLN 67 HN GLN 67 7.876 -21.761 -7.057 452 HA GLN 67 HA GLN 67 8.335 -21.971 -4.167 453 1HB GLN 67 HB2 GLN 67 9.228 -19.988 -6.254 454 2HB GLN 67 HB1 GLN 67 9.366 -19.646 -4.535 455 1HG GLN 67 HG2 GLN 67 10.576 -22.063 -5.852 456 2HG GLN 67 HG1 GLN 67 11.432 -20.538 -5.624 457 1HE2 GLN 67 HE21 GLN 67 12.941 -21.797 -4.382 458 2HE2 GLN 67 HE22 GLN 67 12.600 -22.162 -2.728 459 H GLN 68 HN GLN 68 6.852 -21.211 -2.807 460 HA GLN 68 HA GLN 68 4.616 -19.689 -3.840 461 1HB GLN 68 HB2 GLN 68 5.201 -21.208 -1.359 462 2HB GLN 68 HB1 GLN 68 4.047 -19.887 -1.229 463 1HG GLN 68 HG2 GLN 68 2.608 -21.553 -1.741 464 2HG GLN 68 HG1 GLN 68 3.036 -21.061 -3.380 465 1HE2 GLN 68 HE21 GLN 68 3.077 -22.835 -4.563 466 2HE2 GLN 68 HE22 GLN 68 3.901 -24.300 -4.164 467 H HIS 69 HN HIS 69 7.509 -19.104 -2.030 468 HA HIS 69 HA HIS 69 6.550 -16.507 -1.128 469 1HB HIS 69 HB2 HIS 69 8.542 -16.356 0.186 470 2HB HIS 69 HB1 HIS 69 7.901 -17.982 0.380 471 HD1 HIS 69 HD1 HIS 69 9.146 -19.819 -1.274 472 HD2 HIS 69 HD2 HIS 69 11.177 -16.302 -0.399 473 HE1 HIS 69 HE1 HIS 69 11.563 -20.297 -1.774 474 HE2 HIS 69 HE2 HIS 69 12.783 -18.181 -1.156 475 H ILE 70 HN ILE 70 7.329 -17.420 -4.010 476 HA ILE 70 HA ILE 70 9.042 -15.090 -4.586 477 HB ILE 70 HB ILE 70 8.953 -17.803 -5.874 478 1HG1 ILE 70 HG12 ILE 70 11.302 -17.779 -5.586 479 2HG1 ILE 70 HG11 ILE 70 11.338 -16.037 -5.351 480 1HG2 ILE 70 HG21 ILE 70 8.709 -16.607 -7.831 481 2HG2 ILE 70 HG22 ILE 70 10.465 -16.652 -7.665 482 3HG2 ILE 70 HG23 ILE 70 9.573 -15.200 -7.206 483 1HD1 ILE 70 HD11 ILE 70 9.966 -17.864 -3.416 484 2HD1 ILE 70 HD12 ILE 70 10.509 -16.203 -3.176 485 3HD1 ILE 70 HD13 ILE 70 11.690 -17.505 -3.317 486 H VAL 71 HN VAL 71 8.298 -13.610 -5.997 487 HA VAL 71 HA VAL 71 5.805 -14.220 -7.445 488 HB VAL 71 HB VAL 71 6.434 -11.519 -6.263 489 1HG1 VAL 71 HG11 VAL 71 3.664 -12.319 -6.797 490 2HG1 VAL 71 HG12 VAL 71 4.682 -12.195 -8.232 491 3HG1 VAL 71 HG13 VAL 71 4.500 -10.809 -7.156 492 1HG2 VAL 71 HG21 VAL 71 6.142 -12.702 -4.312 493 2HG2 VAL 71 HG22 VAL 71 5.062 -13.881 -5.061 494 3HG2 VAL 71 HG23 VAL 71 4.475 -12.261 -4.684 495 H HIS 72 HN HIS 72 6.433 -14.349 -9.520 496 HA HIS 72 HA HIS 72 7.996 -12.100 -10.593 497 1HB HIS 72 HB2 HIS 72 9.201 -13.579 -12.064 498 2HB HIS 72 HB1 HIS 72 9.368 -14.173 -10.416 499 HD1 HIS 72 HD1 HIS 72 7.315 -16.082 -9.887 500 HD2 HIS 72 HD2 HIS 72 8.710 -15.596 -13.771 501 HE1 HIS 72 HE1 HIS 72 6.685 -18.194 -11.098 502 HE2 HIS 72 HE2 HIS 72 7.619 -17.914 -13.421 503 H CYS 73 HN CYS 73 6.399 -10.965 -11.539 504 HA CYS 73 HA CYS 73 4.935 -12.304 -13.709 505 1HB CYS 73 HB2 CYS 73 3.678 -11.515 -11.440 506 2HB CYS 73 HB1 CYS 73 3.569 -10.036 -12.388 507 HG CYS 73 HG CYS 73 2.190 -12.711 -13.099 508 H SER 74 HN SER 74 5.999 -11.506 -15.446 509 HA SER 74 HA SER 74 7.139 -8.934 -15.570 510 1HB SER 74 HB2 SER 74 7.627 -11.022 -17.038 511 2HB SER 74 HB1 SER 74 6.289 -10.440 -18.029 512 HG SER 74 HG SER 74 8.556 -8.886 -17.322 513 H ASN 75 HN ASN 75 4.060 -10.151 -16.905 514 HA ASN 75 HA ASN 75 3.391 -7.335 -17.416 515 1HB ASN 75 HB2 ASN 75 3.057 -9.455 -19.069 516 2HB ASN 75 HB1 ASN 75 1.501 -9.462 -18.245 517 1HD2 ASN 75 HD21 ASN 75 0.379 -8.866 -20.077 518 2HD2 ASN 75 HD22 ASN 75 0.464 -7.274 -20.743 519 H ASP 76 HN ASP 76 2.940 -6.690 -15.369 520 HA ASP 76 HA ASP 76 0.297 -7.300 -14.432 521 1HB ASP 76 HB2 ASP 76 2.278 -8.941 -13.424 522 2HB ASP 76 HB1 ASP 76 2.120 -7.705 -12.181 523 HA PRO 77 HA PRO 77 0.509 -3.028 -13.290 524 1HB PRO 77 HB2 PRO 77 -1.116 -3.785 -10.931 525 2HB PRO 77 HB1 PRO 77 -1.439 -2.594 -12.188 526 1HG PRO 77 HG2 PRO 77 -2.712 -4.977 -12.051 527 2HG PRO 77 HG1 PRO 77 -2.432 -4.103 -13.564 528 1HD PRO 77 HD2 PRO 77 -1.153 -6.553 -12.547 529 2HD PRO 77 HD1 PRO 77 -1.308 -5.954 -14.206 530 H LEU 78 HN LEU 78 1.105 -5.607 -10.991 531 HA LEU 78 HA LEU 78 2.316 -3.994 -8.982 532 1HB LEU 78 HB2 LEU 78 1.372 -6.479 -8.966 533 2HB LEU 78 HB1 LEU 78 3.047 -6.864 -9.305 534 HG LEU 78 HG LEU 78 3.698 -5.608 -7.252 535 1HD1 LEU 78 HD11 LEU 78 0.965 -5.743 -6.179 536 2HD1 LEU 78 HD12 LEU 78 1.248 -4.483 -7.380 537 3HD1 LEU 78 HD13 LEU 78 2.233 -4.545 -5.918 538 1HD2 LEU 78 HD21 LEU 78 1.723 -7.697 -6.455 539 2HD2 LEU 78 HD22 LEU 78 3.362 -7.417 -5.868 540 3HD2 LEU 78 HD23 LEU 78 3.106 -8.140 -7.456 541 H GLY 79 HN GLY 79 3.837 -6.454 -11.086 542 1HA GLY 79 HA2 GLY 79 6.472 -5.674 -10.665 543 2HA GLY 79 HA1 GLY 79 5.896 -6.491 -12.112 544 H GLU 80 HN GLU 80 4.039 -4.299 -12.741 545 HA GLU 80 HA GLU 80 5.848 -2.688 -14.272 546 1HB GLU 80 HB2 GLU 80 3.847 -3.190 -15.386 547 2HB GLU 80 HB1 GLU 80 2.862 -2.843 -13.974 548 1HG GLU 80 HG2 GLU 80 2.696 -1.191 -15.844 549 2HG GLU 80 HG1 GLU 80 3.092 -0.513 -14.267 550 H LEU 81 HN LEU 81 4.106 -2.385 -11.280 551 HA LEU 81 HA LEU 81 4.418 0.469 -11.074 552 1HB LEU 81 HB2 LEU 81 2.534 -0.675 -10.008 553 2HB LEU 81 HB1 LEU 81 3.644 -1.596 -9.013 554 HG LEU 81 HG LEU 81 4.360 0.443 -7.876 555 1HD1 LEU 81 HD11 LEU 81 3.968 1.941 -9.846 556 2HD1 LEU 81 HD12 LEU 81 3.402 2.574 -8.301 557 3HD1 LEU 81 HD13 LEU 81 2.250 1.897 -9.452 558 1HD2 LEU 81 HD21 LEU 81 2.694 -0.415 -6.604 559 2HD2 LEU 81 HD22 LEU 81 1.533 -0.422 -7.932 560 3HD2 LEU 81 HD23 LEU 81 1.892 1.081 -7.082 561 H PHE 82 HN PHE 82 5.680 -2.244 -9.131 562 HA PHE 82 HA PHE 82 7.600 -0.764 -7.742 563 1HB PHE 82 HB2 PHE 82 7.642 -3.700 -8.474 564 2HB PHE 82 HB1 PHE 82 8.669 -2.946 -7.261 565 HD1 PHE 82 HD1 PHE 82 6.533 -1.100 -6.102 566 HD2 PHE 82 HD2 PHE 82 6.528 -5.241 -7.080 567 HE1 PHE 82 HE1 PHE 82 4.805 -1.497 -4.396 568 HE2 PHE 82 HE2 PHE 82 4.800 -5.645 -5.377 569 HZ PHE 82 HZ PHE 82 3.935 -3.772 -4.033 570 H GLY 83 HN GLY 83 7.640 -2.086 -10.955 571 1HA GLY 83 HA2 GLY 83 9.099 -1.466 -12.670 572 2HA GLY 83 HA1 GLY 83 10.153 -0.726 -11.475 573 H VAL 84 HN VAL 84 8.947 -4.021 -11.294 574 HA VAL 84 HA VAL 84 11.550 -5.062 -12.130 575 HB VAL 84 HB VAL 84 11.655 -6.567 -10.172 576 1HG1 VAL 84 HG11 VAL 84 12.556 -4.048 -10.356 577 2HG1 VAL 84 HG12 VAL 84 12.853 -5.081 -8.958 578 3HG1 VAL 84 HG13 VAL 84 11.548 -3.896 -8.917 579 1HG2 VAL 84 HG21 VAL 84 9.347 -4.901 -9.176 580 2HG2 VAL 84 HG22 VAL 84 10.278 -6.025 -8.187 581 3HG2 VAL 84 HG23 VAL 84 9.327 -6.625 -9.545 582 H GLN 85 HN GLN 85 11.486 -7.526 -12.203 583 HA GLN 85 HA GLN 85 8.904 -8.331 -13.344 584 1HB GLN 85 HB2 GLN 85 10.727 -8.460 -14.919 585 2HB GLN 85 HB1 GLN 85 11.701 -9.385 -13.785 586 1HG GLN 85 HG2 GLN 85 10.349 -11.294 -14.023 587 2HG GLN 85 HG1 GLN 85 9.079 -10.388 -14.844 588 1HE2 GLN 85 HE21 GLN 85 11.203 -12.666 -15.408 589 2HE2 GLN 85 HE22 GLN 85 11.671 -12.312 -17.033 590 H GLU 86 HN GLU 86 11.302 -9.152 -10.942 591 HA GLU 86 HA GLU 86 9.437 -11.094 -9.802 592 1HB GLU 86 HB2 GLU 86 11.392 -12.625 -9.324 593 2HB GLU 86 HB1 GLU 86 10.883 -12.543 -11.005 594 1HG GLU 86 HG2 GLU 86 12.735 -10.684 -11.133 595 2HG GLU 86 HG1 GLU 86 13.362 -11.531 -9.719 596 H PHE 87 HN PHE 87 9.706 -11.455 -7.549 597 HA PHE 87 HA PHE 87 11.730 -10.055 -6.076 598 1HB PHE 87 HB2 PHE 87 10.296 -8.492 -4.905 599 2HB PHE 87 HB1 PHE 87 10.182 -8.197 -6.636 600 HD1 PHE 87 HD1 PHE 87 8.429 -9.387 -3.663 601 HD2 PHE 87 HD2 PHE 87 8.146 -8.675 -7.849 602 HE1 PHE 87 HE1 PHE 87 5.980 -9.587 -3.527 603 HE2 PHE 87 HE2 PHE 87 5.696 -8.873 -7.721 604 HZ PHE 87 HZ PHE 87 4.611 -9.329 -5.558 605 H SER 88 HN SER 88 12.167 -11.265 -4.366 606 HA SER 88 HA SER 88 10.299 -13.311 -3.524 607 1HB SER 88 HB2 SER 88 12.924 -13.455 -3.749 608 2HB SER 88 HB1 SER 88 12.891 -12.799 -2.113 609 HG SER 88 HG SER 88 12.495 -15.306 -2.884 610 H VAL 89 HN VAL 89 8.830 -12.989 -1.994 611 HA VAL 89 HA VAL 89 8.635 -10.632 -0.490 612 HB VAL 89 HB VAL 89 7.001 -12.024 0.943 613 1HG1 VAL 89 HG11 VAL 89 6.763 -11.250 -1.916 614 2HG1 VAL 89 HG12 VAL 89 5.956 -10.596 -0.492 615 3HG1 VAL 89 HG13 VAL 89 5.433 -12.137 -1.172 616 1HG2 VAL 89 HG21 VAL 89 7.208 -13.934 -1.368 617 2HG2 VAL 89 HG22 VAL 89 6.280 -14.109 0.121 618 3HG2 VAL 89 HG23 VAL 89 8.041 -14.206 0.163 619 H LYS 90 HN LYS 90 10.565 -13.400 0.026 620 HA LYS 90 HA LYS 90 10.704 -13.659 2.764 621 1HB LYS 90 HB2 LYS 90 11.909 -15.112 1.196 622 2HB LYS 90 HB1 LYS 90 12.996 -13.789 0.797 623 1HG LYS 90 HG2 LYS 90 13.786 -13.757 3.122 624 2HG LYS 90 HG1 LYS 90 12.727 -15.122 3.483 625 1HD LYS 90 HD2 LYS 90 14.700 -15.313 1.244 626 2HD LYS 90 HD1 LYS 90 15.235 -15.540 2.910 627 1HE LYS 90 HE2 LYS 90 14.012 -17.468 3.184 628 2HE LYS 90 HE1 LYS 90 12.836 -17.023 1.948 629 1HZ LYS 90 HZ1 LYS 90 14.116 -17.853 0.298 630 2HZ LYS 90 HZ2 LYS 90 14.699 -18.838 1.543 631 3HZ LYS 90 HZ3 LYS 90 15.577 -17.475 1.063 632 H GLU 91 HN GLU 91 11.922 -11.093 0.753 633 HA GLU 91 HA GLU 91 13.362 -9.896 3.002 634 1HB GLU 91 HB2 GLU 91 13.207 -9.037 0.106 635 2HB GLU 91 HB1 GLU 91 14.215 -8.294 1.340 636 1HG GLU 91 HG2 GLU 91 15.287 -10.581 1.618 637 2HG GLU 91 HG1 GLU 91 14.470 -11.020 0.118 638 H HIS 92 HN HIS 92 11.459 -9.381 4.211 639 HA HIS 92 HA HIS 92 9.311 -7.862 3.284 640 1HB HIS 92 HB2 HIS 92 10.527 -8.176 6.024 641 2HB HIS 92 HB1 HIS 92 9.096 -7.188 5.746 642 HD1 HIS 92 HD1 HIS 92 8.820 -9.569 7.577 643 HD2 HIS 92 HD2 HIS 92 8.188 -9.787 3.476 644 HE1 HIS 92 HE1 HIS 92 7.343 -11.575 7.230 645 HE2 HIS 92 HE2 HIS 92 6.903 -11.635 4.750 646 H ARG 93 HN ARG 93 12.434 -6.855 4.585 647 HA ARG 93 HA ARG 93 11.947 -4.133 4.888 648 1HB ARG 93 HB2 ARG 93 14.352 -5.820 4.493 649 2HB ARG 93 HB1 ARG 93 14.540 -4.105 4.154 650 1HG ARG 93 HG2 ARG 93 14.223 -3.494 6.335 651 2HG ARG 93 HG1 ARG 93 13.245 -4.916 6.706 652 1HD ARG 93 HD2 ARG 93 15.751 -5.920 6.004 653 2HD ARG 93 HD1 ARG 93 16.089 -4.505 7.000 654 HE ARG 93 HE ARG 93 14.091 -6.149 8.177 655 1HH1 ARG 93 HH11 ARG 93 17.535 -5.898 7.674 656 2HH1 ARG 93 HH12 ARG 93 17.934 -6.821 9.084 657 1HH2 ARG 93 HH21 ARG 93 14.614 -7.363 10.032 658 2HH2 ARG 93 HH22 ARG 93 16.276 -7.653 10.422 659 H ARG 94 HN ARG 94 12.990 -5.934 2.021 660 HA ARG 94 HA ARG 94 13.420 -3.737 0.335 661 1HB ARG 94 HB2 ARG 94 14.074 -6.151 -0.077 662 2HB ARG 94 HB1 ARG 94 12.405 -6.437 -0.553 663 1HG ARG 94 HG2 ARG 94 12.592 -4.999 -2.419 664 2HG ARG 94 HG1 ARG 94 14.133 -4.352 -1.854 665 1HD ARG 94 HD2 ARG 94 15.208 -6.483 -2.223 666 2HD ARG 94 HD1 ARG 94 13.667 -7.219 -2.664 667 HE ARG 94 HE ARG 94 13.906 -5.201 -4.443 668 1HH1 ARG 94 HH11 ARG 94 16.047 -7.785 -3.483 669 2HH1 ARG 94 HH12 ARG 94 16.816 -7.892 -5.031 670 1HH2 ARG 94 HH21 ARG 94 14.916 -5.340 -6.479 671 2HH2 ARG 94 HH22 ARG 94 16.174 -6.503 -6.732 672 H ILE 95 HN ILE 95 10.514 -5.731 0.812 673 HA ILE 95 HA ILE 95 8.900 -4.398 -1.063 674 HB ILE 95 HB ILE 95 7.978 -5.802 1.444 675 1HG1 ILE 95 HG12 ILE 95 8.611 -6.862 -1.317 676 2HG1 ILE 95 HG11 ILE 95 9.410 -7.290 0.192 677 1HG2 ILE 95 HG21 ILE 95 5.940 -6.232 0.040 678 2HG2 ILE 95 HG22 ILE 95 6.588 -5.082 -1.129 679 3HG2 ILE 95 HG23 ILE 95 6.186 -4.549 0.503 680 1HD1 ILE 95 HD11 ILE 95 7.222 -8.547 -1.041 681 2HD1 ILE 95 HD12 ILE 95 6.625 -7.810 0.446 682 3HD1 ILE 95 HD13 ILE 95 7.979 -8.939 0.503 683 H TYR 96 HN TYR 96 8.998 -4.059 2.487 684 HA TYR 96 HA TYR 96 7.174 -2.079 2.890 685 1HB TYR 96 HB2 TYR 96 9.664 -2.907 4.240 686 2HB TYR 96 HB1 TYR 96 9.125 -1.274 4.613 687 HD1 TYR 96 HD1 TYR 96 7.223 -0.891 5.995 688 HD2 TYR 96 HD2 TYR 96 8.193 -4.844 4.756 689 HE1 TYR 96 HE1 TYR 96 5.620 -1.790 7.628 690 HE2 TYR 96 HE2 TYR 96 6.592 -5.754 6.386 691 HH TYR 96 HH TYR 96 5.581 -4.602 8.812 692 H ALA 97 HN ALA 97 10.330 -1.758 1.435 693 HA ALA 97 HA ALA 97 10.414 1.103 1.576 694 1HB ALA 97 HB1 ALA 97 12.042 -0.789 -0.113 695 2HB ALA 97 HB2 ALA 97 12.457 -0.236 1.509 696 3HB ALA 97 HB3 ALA 97 12.394 0.915 0.174 697 H MET 98 HN MET 98 10.091 -1.143 -1.194 698 HA MET 98 HA MET 98 9.528 0.828 -3.087 699 1HB MET 98 HB2 MET 98 8.940 -0.915 -4.565 700 2HB MET 98 HB1 MET 98 10.169 -1.586 -3.503 701 1HG MET 98 HG2 MET 98 8.051 -2.375 -2.142 702 2HG MET 98 HG1 MET 98 7.292 -2.240 -3.725 703 1HE MET 98 HE1 MET 98 7.665 -5.726 -2.670 704 2HE MET 98 HE2 MET 98 7.334 -5.594 -4.398 705 3HE MET 98 HE3 MET 98 6.624 -4.436 -3.272 706 H ILE 99 HN ILE 99 7.347 -0.990 -0.982 707 HA ILE 99 HA ILE 99 4.936 -0.080 -2.155 708 HB ILE 99 HB ILE 99 3.874 -0.739 -0.007 709 1HG1 ILE 99 HG12 ILE 99 5.805 -2.120 1.366 710 2HG1 ILE 99 HG11 ILE 99 6.685 -0.683 0.856 711 1HG2 ILE 99 HG21 ILE 99 5.709 -2.978 -0.639 712 2HG2 ILE 99 HG22 ILE 99 4.754 -2.311 -1.963 713 3HG2 ILE 99 HG23 ILE 99 3.949 -2.949 -0.529 714 1HD1 ILE 99 HD11 ILE 99 5.493 0.689 2.198 715 2HD1 ILE 99 HD12 ILE 99 5.312 -0.803 3.122 716 3HD1 ILE 99 HD13 ILE 99 4.017 -0.265 2.052 717 H SER 100 HN SER 100 7.044 1.223 0.340 718 HA SER 100 HA SER 100 5.273 3.245 1.248 719 1HB SER 100 HB2 SER 100 7.051 2.703 2.709 720 2HB SER 100 HB1 SER 100 8.259 2.875 1.436 721 HG SER 100 HG SER 100 8.108 5.043 1.564 722 H ARG 101 HN ARG 101 7.761 3.133 -1.250 723 HA ARG 101 HA ARG 101 7.651 5.910 -1.870 724 1HB ARG 101 HB2 ARG 101 8.571 3.676 -3.679 725 2HB ARG 101 HB1 ARG 101 9.018 5.374 -3.772 726 1HG ARG 101 HG2 ARG 101 10.481 5.229 -2.018 727 2HG ARG 101 HG1 ARG 101 9.634 3.867 -1.282 728 1HD ARG 101 HD2 ARG 101 11.530 2.847 -2.107 729 2HD ARG 101 HD1 ARG 101 10.384 2.593 -3.423 730 HE ARG 101 HE ARG 101 11.716 4.979 -3.933 731 1HH1 ARG 101 HH11 ARG 101 12.476 1.584 -3.669 732 2HH1 ARG 101 HH12 ARG 101 13.802 1.667 -4.779 733 1HH2 ARG 101 HH21 ARG 101 13.459 5.090 -5.394 734 2HH2 ARG 101 HH22 ARG 101 14.361 3.657 -5.758 735 H ASN 102 HN ASN 102 5.492 3.389 -2.443 736 HA ASN 102 HA ASN 102 4.459 4.482 -4.933 737 1HB ASN 102 HB2 ASN 102 3.841 2.044 -3.290 738 2HB ASN 102 HB1 ASN 102 2.743 2.574 -4.560 739 1HD2 ASN 102 HD21 ASN 102 3.774 0.150 -4.823 740 2HD2 ASN 102 HD22 ASN 102 4.991 0.108 -6.048 741 H LEU 103 HN LEU 103 4.312 5.961 -2.318 742 HA LEU 103 HA LEU 103 1.388 6.312 -2.245 743 1HB LEU 103 HB2 LEU 103 3.136 7.090 0.054 744 2HB LEU 103 HB1 LEU 103 1.426 6.703 0.045 745 HG LEU 103 HG LEU 103 3.460 4.578 -0.538 746 1HD1 LEU 103 HD11 LEU 103 2.943 5.918 2.027 747 2HD1 LEU 103 HD12 LEU 103 4.338 4.982 1.492 748 3HD1 LEU 103 HD13 LEU 103 2.889 4.156 2.065 749 1HD2 LEU 103 HD21 LEU 103 1.465 3.589 -0.912 750 2HD2 LEU 103 HD22 LEU 103 0.583 4.745 0.085 751 3HD2 LEU 103 HD23 LEU 103 1.466 3.421 0.844 752 H VAL 104 HN VAL 104 0.889 8.117 -3.309 753 HA VAL 104 HA VAL 104 2.641 10.174 -3.963 754 HB VAL 104 HB VAL 104 0.424 11.563 -4.184 755 1HG1 VAL 104 HG11 VAL 104 1.834 10.544 -5.988 756 2HG1 VAL 104 HG12 VAL 104 0.117 10.673 -6.369 757 3HG1 VAL 104 HG13 VAL 104 0.802 9.117 -5.898 758 1HG2 VAL 104 HG21 VAL 104 -1.525 10.570 -3.742 759 2HG2 VAL 104 HG22 VAL 104 -0.605 9.322 -2.908 760 3HG2 VAL 104 HG23 VAL 104 -1.054 9.102 -4.596 761 H SER 105 HN SER 105 -0.082 10.611 -1.680 762 HA SER 105 HA SER 105 1.586 12.554 -0.240 763 1HB SER 105 HB2 SER 105 -0.414 13.655 0.455 764 2HB SER 105 HB1 SER 105 -0.610 13.318 -1.265 765 HG SER 105 HG SER 105 -2.389 12.766 0.326 766 H ALA 106 HN ALA 106 1.514 12.593 2.068 767 HA ALA 106 HA ALA 106 0.863 9.968 3.244 768 1HB ALA 106 HB1 ALA 106 2.943 11.948 4.168 769 2HB ALA 106 HB2 ALA 106 3.265 10.502 3.212 770 3HB ALA 106 HB3 ALA 106 2.635 10.353 4.853 771 H ASN 107 HN ASN 107 -0.174 9.877 5.233 772 HA ASN 107 HA ASN 107 -2.087 11.832 5.787 773 1HB ASN 107 HB2 ASN 107 -2.266 10.604 8.037 774 2HB ASN 107 HB1 ASN 107 -2.559 9.666 6.577 775 1HD2 ASN 107 HD21 ASN 107 -0.387 10.266 9.217 776 2HD2 ASN 107 HD22 ASN 107 0.589 8.857 9.002 777 H VAL 108 HN VAL 108 -2.306 13.339 7.469 778 HA VAL 108 HA VAL 108 0.242 14.206 8.667 779 HB VAL 108 HB VAL 108 -0.933 15.717 6.907 780 1HG1 VAL 108 HG11 VAL 108 -3.172 15.565 7.949 781 2HG1 VAL 108 HG12 VAL 108 -2.606 17.225 7.766 782 3HG1 VAL 108 HG13 VAL 108 -2.548 16.443 9.346 783 1HG2 VAL 108 HG21 VAL 108 0.874 16.192 8.836 784 2HG2 VAL 108 HG22 VAL 108 -0.401 17.302 9.338 785 3HG2 VAL 108 HG23 VAL 108 0.293 17.430 7.722 786 H LYS 109 HN LYS 109 0.061 15.321 10.748 787 HA LYS 109 HA LYS 109 -2.084 14.147 12.374 788 1HB LYS 109 HB2 LYS 109 0.019 13.387 13.151 789 2HB LYS 109 HB1 LYS 109 0.736 14.986 13.019 790 1HG LYS 109 HG2 LYS 109 -0.515 15.771 14.900 791 2HG LYS 109 HG1 LYS 109 -1.434 14.266 14.976 792 1HD LYS 109 HD2 LYS 109 1.474 13.909 15.074 793 2HD LYS 109 HD1 LYS 109 0.809 14.813 16.436 794 1HE LYS 109 HE2 LYS 109 -0.259 12.156 15.499 795 2HE LYS 109 HE1 LYS 109 0.942 12.335 16.778 796 1HZ LYS 109 HZ1 LYS 109 -0.917 12.337 18.040 797 2HZ LYS 109 HZ2 LYS 109 -1.910 12.937 16.809 798 3HZ LYS 109 HZ3 LYS 109 -0.906 13.989 17.673 799 H GLU 110 HN GLU 110 -3.088 15.409 14.006 800 HA GLU 110 HA GLU 110 -2.857 18.320 13.606 801 1HB GLU 110 HB2 GLU 110 -5.255 16.556 13.680 802 2HB GLU 110 HB1 GLU 110 -5.393 18.147 14.415 803 1HG GLU 110 HG2 GLU 110 -4.159 18.193 11.775 804 2HG GLU 110 HG1 GLU 110 -5.803 17.558 11.777 805 H SER 111 HN SER 111 -2.880 19.606 15.406 806 HA SER 111 HA SER 111 -2.973 18.215 18.003 807 1HB SER 111 HB2 SER 111 -0.690 18.901 17.491 808 2HB SER 111 HB1 SER 111 -1.230 20.551 17.183 809 HG SER 111 HG SER 111 -0.435 19.582 19.459 810 H SER 112 HN SER 112 -3.642 19.533 19.835 811 HA SER 112 HA SER 112 -5.895 21.197 19.136 812 1HB SER 112 HB2 SER 112 -4.809 20.120 21.731 813 2HB SER 112 HB1 SER 112 -6.109 21.311 21.704 814 HG SER 112 HG SER 112 -6.183 18.839 20.314 815 H GLU 113 HN GLU 113 -5.480 23.232 18.553 816 HA GLU 113 HA GLU 113 -3.340 24.718 19.873 817 1HB GLU 113 HB2 GLU 113 -5.071 25.436 17.501 818 2HB GLU 113 HB1 GLU 113 -3.754 26.420 18.124 819 1HG GLU 113 HG2 GLU 113 -2.357 24.238 17.741 820 2HG GLU 113 HG1 GLU 113 -3.661 23.857 16.618 821 H ASP 114 HN ASP 114 -3.932 27.171 20.138 822 HA ASP 114 HA ASP 114 -6.149 27.237 22.010 823 1HB ASP 114 HB2 ASP 114 -3.959 28.221 22.620 824 2HB ASP 114 HB1 ASP 114 -4.137 29.389 21.313 825 H ILE 115 HN ILE 115 -7.883 28.684 21.898 826 HA ILE 115 HA ILE 115 -8.426 29.744 19.224 827 HB ILE 115 HB ILE 115 -10.475 29.065 21.333 828 1HG1 ILE 115 HG12 ILE 115 -9.592 27.417 18.952 829 2HG1 ILE 115 HG11 ILE 115 -9.269 27.034 20.640 830 1HG2 ILE 115 HG21 ILE 115 -11.250 30.686 19.732 831 2HG2 ILE 115 HG22 ILE 115 -12.027 29.137 19.405 832 3HG2 ILE 115 HG23 ILE 115 -10.691 29.686 18.392 833 1HD1 ILE 115 HD11 ILE 115 -11.991 27.191 19.369 834 2HD1 ILE 115 HD12 ILE 115 -11.650 26.773 21.048 835 3HD1 ILE 115 HD13 ILE 115 -11.107 25.713 19.747 836 H PHE 116 HN PHE 116 -7.797 31.772 19.315 837 HA PHE 116 HA PHE 116 -8.680 33.461 21.553 838 1HB PHE 116 HB2 PHE 116 -6.185 33.249 20.183 839 2HB PHE 116 HB1 PHE 116 -6.839 34.855 19.881 840 HD1 PHE 116 HD1 PHE 116 -4.737 33.109 21.942 841 HD2 PHE 116 HD2 PHE 116 -7.960 35.880 22.152 842 HE1 PHE 116 HE1 PHE 116 -3.963 33.834 24.162 843 HE2 PHE 116 HE2 PHE 116 -7.191 36.611 24.372 844 HZ PHE 116 HZ PHE 116 -5.191 35.588 25.380 845 H GLY 117 HN GLY 117 -8.823 33.018 18.099 846 1HA GLY 117 HA2 GLY 117 -10.829 33.828 16.976 847 2HA GLY 117 HA1 GLY 117 -10.718 35.278 17.961 848 H ASN 118 HN ASN 118 -7.684 35.140 17.456 849 HA ASN 118 HA ASN 118 -7.793 36.416 14.804 850 1HB ASN 118 HB2 ASN 118 -5.916 36.933 17.120 851 2HB ASN 118 HB1 ASN 118 -5.793 37.699 15.539 852 1HD2 ASN 118 HD21 ASN 118 -7.819 37.342 18.382 853 2HD2 ASN 118 HD22 ASN 118 -8.672 38.832 18.190 854 H VAL 119 HN VAL 119 -6.551 35.648 13.205 855 HA VAL 119 HA VAL 119 -4.451 33.698 13.888 856 HB VAL 119 HB VAL 119 -6.278 33.489 11.491 857 1HG1 VAL 119 HG11 VAL 119 -4.435 31.392 12.603 858 2HG1 VAL 119 HG12 VAL 119 -3.919 32.552 11.380 859 3HG1 VAL 119 HG13 VAL 119 -5.234 31.430 11.031 860 1HG2 VAL 119 HG21 VAL 119 -7.050 32.992 14.047 861 2HG2 VAL 119 HG22 VAL 119 -6.418 31.418 13.567 862 3HG2 VAL 119 HG23 VAL 119 -7.704 32.176 12.628 863 H30 IMY 120 1H30 IMY 120 5.844 -19.029 2.598 864 1H30 IMY 120 2H30 IMY 120 7.188 -18.076 1.854 865 2H30 IMY 120 3H30 IMY 120 6.705 -19.635 1.176 866 H26 IMY 120 H26 IMY 120 6.145 -16.429 2.847 867 H25 IMY 120 H25 IMY 120 4.985 -14.381 3.423 868 H31 IMY 120 H31 IMY 120 1.333 -16.482 -1.172 869 1H32 IMY 120 1H32 IMY 120 0.889 -13.552 -2.043 870 2H32 IMY 120 2H32 IMY 120 0.335 -14.993 -2.911 871 3H32 IMY 120 3H32 IMY 120 -0.384 -14.542 -1.355 872 1H33 IMY 120 1H33 IMY 120 3.690 -15.952 -1.494 873 2H33 IMY 120 2H33 IMY 120 2.802 -15.685 -3.003 874 3H33 IMY 120 3H33 IMY 120 3.311 -14.310 -1.991 875 H28 IMY 120 H28 IMY 120 3.352 -17.206 -0.295 876 H4 IMY 120 H4 IMY 120 2.310 -11.507 4.246 877 H3 IMY 120 H3 IMY 120 0.838 -10.882 2.536 878 H18 IMY 120 H18 IMY 120 3.496 -11.837 -0.026 879 H17 IMY 120 H17 IMY 120 4.232 -10.333 -1.795 880 H15 IMY 120 H15 IMY 120 1.819 -7.189 -0.248 881 H14 IMY 120 H14 IMY 120 1.051 -8.644 1.588 882 H20 IMY 120 H20 IMY 120 2.489 -9.362 5.295 883 H21 IMY 120 H21 IMY 120 3.877 -7.427 5.839 884 H23 IMY 120 H23 IMY 120 6.549 -8.399 2.617 885 H24 IMY 120 H24 IMY 120 5.270 -10.419 2.143 Start of MODEL 12 1 1H ASN 13 HT1 ASN 13 -18.833 22.178 0.669 2 2H ASN 13 HT2 ASN 13 -19.922 20.853 0.724 3 3H ASN 13 HT3 ASN 13 -19.874 21.870 -0.657 4 HA ASN 13 HA ASN 13 -17.599 20.264 0.281 5 1HB ASN 13 HB2 ASN 13 -19.786 19.648 -1.714 6 2HB ASN 13 HB1 ASN 13 -18.260 18.770 -1.653 7 1HD2 ASN 13 HD21 ASN 13 -20.500 17.355 -1.368 8 2HD2 ASN 13 HD22 ASN 13 -20.709 16.840 0.268 9 H HIS 14 HN HIS 14 -15.902 21.418 -0.408 10 HA HIS 14 HA HIS 14 -15.930 23.259 -2.531 11 1HB HIS 14 HB2 HIS 14 -13.835 21.973 -0.857 12 2HB HIS 14 HB1 HIS 14 -13.313 22.715 -2.366 13 HD1 HIS 14 HD1 HIS 14 -15.063 25.220 -2.395 14 HD2 HIS 14 HD2 HIS 14 -13.085 23.825 0.982 15 HE1 HIS 14 HE1 HIS 14 -14.807 27.220 -0.891 16 HE2 HIS 14 HE2 HIS 14 -13.686 26.332 1.183 17 H ILE 15 HN ILE 15 -15.125 23.147 -4.633 18 HA ILE 15 HA ILE 15 -14.299 20.566 -5.692 19 HB ILE 15 HB ILE 15 -16.624 22.013 -6.954 20 1HG1 ILE 15 HG12 ILE 15 -16.652 19.550 -5.195 21 2HG1 ILE 15 HG11 ILE 15 -17.304 21.129 -4.768 22 1HG2 ILE 15 HG21 ILE 15 -15.209 19.423 -7.490 23 2HG2 ILE 15 HG22 ILE 15 -15.519 20.763 -8.594 24 3HG2 ILE 15 HG23 ILE 15 -16.846 19.725 -8.072 25 1HD1 ILE 15 HD11 ILE 15 -19.208 20.753 -5.856 26 2HD1 ILE 15 HD12 ILE 15 -18.715 19.059 -5.848 27 3HD1 ILE 15 HD13 ILE 15 -18.382 20.068 -7.256 28 H SER 16 HN SER 16 -12.399 22.129 -5.687 29 HA SER 16 HA SER 16 -12.441 23.862 -8.062 30 1HB SER 16 HB2 SER 16 -10.238 24.719 -7.024 31 2HB SER 16 HB1 SER 16 -11.748 25.163 -6.229 32 HG SER 16 HG SER 16 -11.306 23.831 -4.597 33 H THR 17 HN THR 17 -12.161 22.167 -9.566 34 HA THR 17 HA THR 17 -10.910 20.924 -11.004 35 HB THR 17 HB THR 17 -8.447 21.653 -9.432 36 HG1 THR 17 HG1 THR 17 -9.685 23.231 -11.433 37 1HG2 THR 17 HG21 THR 17 -7.403 21.706 -11.660 38 2HG2 THR 17 HG22 THR 17 -8.921 21.141 -12.357 39 3HG2 THR 17 HG23 THR 17 -8.033 20.116 -11.229 40 H SER 18 HN SER 18 -9.152 20.582 -7.916 41 HA SER 18 HA SER 18 -9.040 17.721 -8.238 42 1HB SER 18 HB2 SER 18 -8.291 19.136 -5.699 43 2HB SER 18 HB1 SER 18 -7.561 17.710 -6.435 44 HG SER 18 HG SER 18 -6.935 19.238 -8.178 45 H ASP 19 HN ASP 19 -10.437 16.277 -7.475 46 HA ASP 19 HA ASP 19 -11.954 16.745 -5.073 47 1HB ASP 19 HB2 ASP 19 -13.113 17.333 -7.651 48 2HB ASP 19 HB1 ASP 19 -13.988 16.015 -6.877 49 H GLN 20 HN GLN 20 -10.020 14.815 -6.161 50 HA GLN 20 HA GLN 20 -11.628 12.373 -6.302 51 1HB GLN 20 HB2 GLN 20 -10.093 12.356 -8.059 52 2HB GLN 20 HB1 GLN 20 -8.820 13.077 -7.086 53 1HG GLN 20 HG2 GLN 20 -8.441 11.032 -5.932 54 2HG GLN 20 HG1 GLN 20 -9.862 10.289 -6.664 55 1HE2 GLN 20 HE21 GLN 20 -7.163 12.183 -7.974 56 2HE2 GLN 20 HE22 GLN 20 -6.686 11.011 -9.150 57 H GLU 21 HN GLU 21 -11.803 11.059 -4.612 58 HA GLU 21 HA GLU 21 -10.036 11.514 -2.306 59 1HB GLU 21 HB2 GLU 21 -12.701 10.101 -2.268 60 2HB GLU 21 HB1 GLU 21 -11.796 10.734 -0.900 61 1HG GLU 21 HG2 GLU 21 -12.120 13.026 -1.945 62 2HG GLU 21 HG1 GLU 21 -13.306 12.254 -2.997 63 H LYS 22 HN LYS 22 -11.046 8.945 -1.116 64 HA LYS 22 HA LYS 22 -10.585 6.708 -1.087 65 1HB LYS 22 HB2 LYS 22 -9.452 6.936 -3.864 66 2HB LYS 22 HB1 LYS 22 -10.089 5.503 -3.069 67 1HG LYS 22 HG2 LYS 22 -11.976 7.745 -3.394 68 2HG LYS 22 HG1 LYS 22 -11.457 6.939 -4.875 69 1HD LYS 22 HD2 LYS 22 -11.976 4.808 -3.279 70 2HD LYS 22 HD1 LYS 22 -13.167 5.968 -2.688 71 1HE LYS 22 HE2 LYS 22 -14.439 5.672 -4.488 72 2HE LYS 22 HE1 LYS 22 -13.080 5.990 -5.565 73 1HZ LYS 22 HZ1 LYS 22 -13.223 3.374 -4.259 74 2HZ LYS 22 HZ2 LYS 22 -12.616 3.787 -5.782 75 3HZ LYS 22 HZ3 LYS 22 -14.286 3.679 -5.539 76 H LEU 23 HN LEU 23 -8.472 9.143 -1.110 77 HA LEU 23 HA LEU 23 -5.980 7.837 -1.465 78 1HB LEU 23 HB2 LEU 23 -6.358 10.262 0.260 79 2HB LEU 23 HB1 LEU 23 -4.960 9.802 -0.688 80 HG LEU 23 HG LEU 23 -7.454 10.344 -2.197 81 1HD1 LEU 23 HD11 LEU 23 -7.643 12.172 -0.727 82 2HD1 LEU 23 HD12 LEU 23 -6.837 12.804 -2.163 83 3HD1 LEU 23 HD13 LEU 23 -5.900 12.442 -0.712 84 1HD2 LEU 23 HD21 LEU 23 -4.792 9.912 -2.802 85 2HD2 LEU 23 HD22 LEU 23 -4.988 11.655 -2.991 86 3HD2 LEU 23 HD23 LEU 23 -6.022 10.548 -3.894 87 H VAL 24 HN VAL 24 -4.744 6.718 -0.140 88 HA VAL 24 HA VAL 24 -5.584 6.446 2.668 89 HB VAL 24 HB VAL 24 -4.192 4.214 2.434 90 1HG1 VAL 24 HG11 VAL 24 -6.329 3.840 3.099 91 2HG1 VAL 24 HG12 VAL 24 -6.454 3.201 1.460 92 3HG1 VAL 24 HG13 VAL 24 -7.021 4.833 1.816 93 1HG2 VAL 24 HG21 VAL 24 -4.639 3.170 0.186 94 2HG2 VAL 24 HG22 VAL 24 -3.415 4.442 0.192 95 3HG2 VAL 24 HG23 VAL 24 -5.039 4.785 -0.403 96 H GLN 25 HN GLN 25 -3.767 6.076 4.217 97 HA GLN 25 HA GLN 25 -1.291 7.332 3.227 98 1HB GLN 25 HB2 GLN 25 -2.543 8.828 4.694 99 2HB GLN 25 HB1 GLN 25 -2.562 7.601 5.949 100 1HG GLN 25 HG2 GLN 25 -0.786 8.697 6.735 101 2HG GLN 25 HG1 GLN 25 0.092 7.810 5.491 102 1HE2 GLN 25 HE21 GLN 25 0.232 10.593 6.801 103 2HE2 GLN 25 HE22 GLN 25 0.453 11.651 5.454 104 HA PRO 26 HA PRO 26 0.190 3.194 4.490 105 1HB PRO 26 HB2 PRO 26 2.621 4.329 3.213 106 2HB PRO 26 HB1 PRO 26 1.838 2.770 2.944 107 1HG PRO 26 HG2 PRO 26 1.634 4.712 1.140 108 2HG PRO 26 HG1 PRO 26 0.243 3.675 1.512 109 1HD PRO 26 HD2 PRO 26 0.820 6.472 2.418 110 2HD PRO 26 HD1 PRO 26 -0.718 5.752 1.896 111 H THR 27 HN THR 27 1.775 2.534 6.014 112 HA THR 27 HA THR 27 2.323 4.385 8.067 113 HB THR 27 HB THR 27 3.843 2.552 8.937 114 HG1 THR 27 HG1 THR 27 4.502 1.395 7.264 115 1HG2 THR 27 HG21 THR 27 1.751 2.339 9.848 116 2HG2 THR 27 HG22 THR 27 1.932 0.795 9.014 117 3HG2 THR 27 HG23 THR 27 0.977 2.086 8.284 118 HA PRO 28 HA PRO 28 6.006 6.573 7.064 119 1HB PRO 28 HB2 PRO 28 7.271 5.186 9.397 120 2HB PRO 28 HB1 PRO 28 7.272 6.903 8.976 121 1HG PRO 28 HG2 PRO 28 5.669 5.972 10.891 122 2HG PRO 28 HG1 PRO 28 5.123 7.238 9.777 123 1HD PRO 28 HD2 PRO 28 4.384 4.362 9.884 124 2HD PRO 28 HD1 PRO 28 3.434 5.755 9.328 125 H LEU 29 HN LEU 29 6.253 3.142 7.789 126 HA LEU 29 HA LEU 29 8.807 2.772 6.563 127 1HB LEU 29 HB2 LEU 29 7.927 1.244 8.278 128 2HB LEU 29 HB1 LEU 29 6.640 0.765 7.189 129 HG LEU 29 HG LEU 29 8.185 -0.321 5.712 130 1HD1 LEU 29 HD11 LEU 29 10.006 1.323 5.895 131 2HD1 LEU 29 HD12 LEU 29 10.577 -0.336 6.074 132 3HD1 LEU 29 HD13 LEU 29 10.395 0.691 7.495 133 1HD2 LEU 29 HD21 LEU 29 9.189 -1.123 8.411 134 2HD2 LEU 29 HD22 LEU 29 8.753 -2.132 7.031 135 3HD2 LEU 29 HD23 LEU 29 7.493 -1.356 7.989 136 H LEU 30 HN LEU 30 5.519 1.785 5.576 137 HA LEU 30 HA LEU 30 6.170 0.952 2.994 138 1HB LEU 30 HB2 LEU 30 3.984 0.631 4.247 139 2HB LEU 30 HB1 LEU 30 3.571 2.267 3.772 140 HG LEU 30 HG LEU 30 3.523 1.671 1.455 141 1HD1 LEU 30 HD11 LEU 30 5.068 -0.643 2.382 142 2HD1 LEU 30 HD12 LEU 30 5.086 0.190 0.828 143 3HD1 LEU 30 HD13 LEU 30 3.840 -1.010 1.169 144 1HD2 LEU 30 HD21 LEU 30 1.714 0.803 3.249 145 2HD2 LEU 30 HD22 LEU 30 2.169 -0.729 2.503 146 3HD2 LEU 30 HD23 LEU 30 1.545 0.586 1.507 147 H LEU 31 HN LEU 31 5.352 4.120 4.269 148 HA LEU 31 HA LEU 31 4.976 5.632 2.021 149 1HB LEU 31 HB2 LEU 31 5.773 6.095 4.751 150 2HB LEU 31 HB1 LEU 31 6.645 7.178 3.684 151 HG LEU 31 HG LEU 31 3.646 6.918 3.898 152 1HD1 LEU 31 HD11 LEU 31 5.067 9.457 4.404 153 2HD1 LEU 31 HD12 LEU 31 5.241 8.194 5.622 154 3HD1 LEU 31 HD13 LEU 31 3.637 8.778 5.181 155 1HD2 LEU 31 HD21 LEU 31 4.706 9.186 2.421 156 2HD2 LEU 31 HD22 LEU 31 3.410 8.067 2.001 157 3HD2 LEU 31 HD23 LEU 31 5.087 7.641 1.661 158 H SER 32 HN SER 32 8.150 5.284 3.624 159 HA SER 32 HA SER 32 9.728 6.502 1.735 160 1HB SER 32 HB2 SER 32 10.245 5.241 4.061 161 2HB SER 32 HB1 SER 32 10.859 4.031 2.933 162 HG SER 32 HG SER 32 12.070 5.811 1.967 163 H LEU 33 HN LEU 33 8.627 3.121 1.755 164 HA LEU 33 HA LEU 33 10.111 2.194 -0.411 165 1HB LEU 33 HB2 LEU 33 7.270 1.327 -0.122 166 2HB LEU 33 HB1 LEU 33 8.683 0.375 -0.511 167 HG LEU 33 HG LEU 33 7.877 1.394 2.208 168 1HD1 LEU 33 HD11 LEU 33 6.857 -0.716 1.110 169 2HD1 LEU 33 HD12 LEU 33 7.450 -0.808 2.768 170 3HD1 LEU 33 HD13 LEU 33 8.429 -1.442 1.445 171 1HD2 LEU 33 HD21 LEU 33 9.894 0.316 3.059 172 2HD2 LEU 33 HD22 LEU 33 10.296 1.615 1.936 173 3HD2 LEU 33 HD23 LEU 33 10.393 -0.066 1.412 174 H LEU 34 HN LEU 34 7.034 3.924 -0.327 175 HA LEU 34 HA LEU 34 6.643 3.903 -3.159 176 1HB LEU 34 HB2 LEU 34 5.503 5.913 -1.215 177 2HB LEU 34 HB1 LEU 34 4.842 5.428 -2.761 178 HG LEU 34 HG LEU 34 4.984 3.699 -0.292 179 1HD1 LEU 34 HD11 LEU 34 2.742 5.184 -1.635 180 2HD1 LEU 34 HD12 LEU 34 3.298 5.321 0.033 181 3HD1 LEU 34 HD13 LEU 34 2.473 3.858 -0.504 182 1HD2 LEU 34 HD21 LEU 34 4.485 1.923 -1.544 183 2HD2 LEU 34 HD22 LEU 34 4.957 2.895 -2.939 184 3HD2 LEU 34 HD23 LEU 34 3.264 2.816 -2.453 185 H LYS 35 HN LYS 35 7.976 6.148 -0.804 186 HA LYS 35 HA LYS 35 8.433 8.381 -2.336 187 1HB LYS 35 HB2 LYS 35 10.135 7.162 -0.158 188 2HB LYS 35 HB1 LYS 35 10.401 8.768 -0.807 189 1HG LYS 35 HG2 LYS 35 8.045 7.771 0.761 190 2HG LYS 35 HG1 LYS 35 9.186 9.045 1.192 191 1HD LYS 35 HD2 LYS 35 8.338 10.302 -0.839 192 2HD LYS 35 HD1 LYS 35 7.045 9.104 -0.923 193 1HE LYS 35 HE2 LYS 35 6.023 10.719 0.338 194 2HE LYS 35 HE1 LYS 35 6.741 9.733 1.610 195 1HZ LYS 35 HZ1 LYS 35 8.639 11.283 1.622 196 2HZ LYS 35 HZ2 LYS 35 7.182 12.031 2.045 197 3HZ LYS 35 HZ3 LYS 35 7.833 12.261 0.501 198 H SER 36 HN SER 36 10.429 5.473 -2.067 199 HA SER 36 HA SER 36 12.333 6.477 -4.013 200 1HB SER 36 HB2 SER 36 12.470 4.643 -1.900 201 2HB SER 36 HB1 SER 36 12.647 3.670 -3.360 202 HG SER 36 HG SER 36 14.367 5.482 -2.241 203 H ALA 37 HN ALA 37 9.498 4.517 -3.948 204 HA ALA 37 HA ALA 37 10.047 3.088 -6.380 205 1HB ALA 37 HB1 ALA 37 7.823 2.212 -6.173 206 2HB ALA 37 HB2 ALA 37 7.396 3.449 -4.990 207 3HB ALA 37 HB3 ALA 37 8.580 2.207 -4.581 208 H GLY 38 HN GLY 38 9.364 6.273 -5.843 209 1HA GLY 38 HA2 GLY 38 9.219 7.696 -7.816 210 2HA GLY 38 HA1 GLY 38 8.102 6.523 -8.500 211 H ALA 39 HN ALA 39 7.753 7.223 -5.160 212 HA ALA 39 HA ALA 39 5.290 8.692 -5.749 213 1HB ALA 39 HB1 ALA 39 5.725 6.506 -4.139 214 2HB ALA 39 HB2 ALA 39 4.318 7.561 -4.083 215 3HB ALA 39 HB3 ALA 39 5.671 7.839 -2.984 216 H GLN 40 HN GLN 40 4.821 10.697 -4.628 217 HA GLN 40 HA GLN 40 7.203 11.932 -3.415 218 1HB GLN 40 HB2 GLN 40 5.278 12.877 -5.420 219 2HB GLN 40 HB1 GLN 40 5.616 14.041 -4.146 220 1HG GLN 40 HG2 GLN 40 7.748 12.668 -5.761 221 2HG GLN 40 HG1 GLN 40 7.055 14.235 -6.175 222 1HE2 GLN 40 HE21 GLN 40 7.192 15.910 -4.473 223 2HE2 GLN 40 HE22 GLN 40 8.619 15.962 -3.501 224 H LYS 41 HN LYS 41 3.747 12.785 -3.460 225 HA LYS 41 HA LYS 41 3.612 13.986 -1.002 226 1HB LYS 41 HB2 LYS 41 1.195 13.461 -1.013 227 2HB LYS 41 HB1 LYS 41 1.764 14.080 -2.555 228 1HG LYS 41 HG2 LYS 41 1.675 11.136 -2.170 229 2HG LYS 41 HG1 LYS 41 0.157 12.006 -2.405 230 1HD LYS 41 HD2 LYS 41 1.634 13.096 -4.375 231 2HD LYS 41 HD1 LYS 41 2.364 11.492 -4.296 232 1HE LYS 41 HE2 LYS 41 0.304 10.427 -4.743 233 2HE LYS 41 HE1 LYS 41 -0.609 11.907 -4.455 234 1HZ LYS 41 HZ1 LYS 41 0.840 11.052 -6.827 235 2HZ LYS 41 HZ2 LYS 41 0.956 12.695 -6.443 236 3HZ LYS 41 HZ3 LYS 41 -0.561 11.991 -6.692 237 H GLU 42 HN GLU 42 2.160 13.093 0.866 238 HA GLU 42 HA GLU 42 3.547 10.743 1.882 239 1HB GLU 42 HB2 GLU 42 1.938 12.947 3.102 240 2HB GLU 42 HB1 GLU 42 2.102 11.432 3.978 241 1HG GLU 42 HG2 GLU 42 4.683 11.980 3.227 242 2HG GLU 42 HG1 GLU 42 4.022 13.577 3.571 243 H THR 43 HN THR 43 0.381 11.711 0.796 244 HA THR 43 HA THR 43 -0.696 9.099 1.616 245 HB THR 43 HB THR 43 -2.592 11.062 0.530 246 HG1 THR 43 HG1 THR 43 -1.074 11.623 2.843 247 1HG2 THR 43 HG21 THR 43 -2.484 9.103 2.729 248 2HG2 THR 43 HG22 THR 43 -3.763 9.443 1.564 249 3HG2 THR 43 HG23 THR 43 -3.528 10.506 2.953 250 H PHE 44 HN PHE 44 -1.963 7.896 0.124 251 HA PHE 44 HA PHE 44 -1.926 8.650 -2.674 252 1HB PHE 44 HB2 PHE 44 -0.559 6.110 -1.769 253 2HB PHE 44 HB1 PHE 44 -0.753 6.657 -3.428 254 HD1 PHE 44 HD1 PHE 44 0.957 7.312 -0.234 255 HD2 PHE 44 HD2 PHE 44 0.753 8.200 -4.391 256 HE1 PHE 44 HE1 PHE 44 3.147 8.426 -0.100 257 HE2 PHE 44 HE2 PHE 44 2.939 9.323 -4.257 258 HZ PHE 44 HZ PHE 44 4.136 9.438 -2.114 259 H THR 45 HN THR 45 -3.399 7.459 -3.927 260 HA THR 45 HA THR 45 -5.516 6.218 -2.426 261 HB THR 45 HB THR 45 -6.571 5.919 -4.680 262 HG1 THR 45 HG1 THR 45 -5.449 6.229 -6.419 263 1HG2 THR 45 HG21 THR 45 -5.925 8.661 -5.066 264 2HG2 THR 45 HG22 THR 45 -6.103 8.346 -3.341 265 3HG2 THR 45 HG23 THR 45 -7.413 7.943 -4.450 266 H MET 46 HN MET 46 -6.249 4.053 -2.690 267 HA MET 46 HA MET 46 -4.421 2.076 -2.451 268 1HB MET 46 HB2 MET 46 -7.189 2.209 -2.600 269 2HB MET 46 HB1 MET 46 -6.747 1.082 -3.878 270 1HG MET 46 HG2 MET 46 -7.027 -0.278 -2.025 271 2HG MET 46 HG1 MET 46 -5.285 -0.036 -2.115 272 1HE MET 46 HE1 MET 46 -3.875 0.875 -0.608 273 2HE MET 46 HE2 MET 46 -4.461 -0.353 0.518 274 3HE MET 46 HE3 MET 46 -4.239 1.311 1.064 275 H LYS 47 HN LYS 47 -5.500 3.508 -5.441 276 HA LYS 47 HA LYS 47 -4.474 1.451 -7.140 277 1HB LYS 47 HB2 LYS 47 -6.218 3.355 -7.624 278 2HB LYS 47 HB1 LYS 47 -4.789 4.284 -8.051 279 1HG LYS 47 HG2 LYS 47 -5.776 3.283 -10.018 280 2HG LYS 47 HG1 LYS 47 -4.183 2.590 -9.705 281 1HD LYS 47 HD2 LYS 47 -6.503 1.205 -8.498 282 2HD LYS 47 HD1 LYS 47 -6.338 1.102 -10.250 283 1HE LYS 47 HE2 LYS 47 -3.777 0.650 -9.298 284 2HE LYS 47 HE1 LYS 47 -4.818 -0.206 -8.162 285 1HZ LYS 47 HZ1 LYS 47 -5.855 -1.336 -10.046 286 2HZ LYS 47 HZ2 LYS 47 -4.192 -1.639 -9.986 287 3HZ LYS 47 HZ3 LYS 47 -4.811 -0.541 -11.114 288 H GLU 48 HN GLU 48 -3.339 4.738 -6.350 289 HA GLU 48 HA GLU 48 -0.861 4.484 -7.679 290 1HB GLU 48 HB2 GLU 48 -1.306 6.265 -5.298 291 2HB GLU 48 HB1 GLU 48 -0.245 6.527 -6.671 292 1HG GLU 48 HG2 GLU 48 -2.848 6.290 -7.707 293 2HG GLU 48 HG1 GLU 48 -2.952 7.348 -6.300 294 H VAL 49 HN VAL 49 -1.808 3.995 -4.294 295 HA VAL 49 HA VAL 49 0.692 3.497 -3.189 296 HB VAL 49 HB VAL 49 -1.775 1.940 -2.422 297 1HG1 VAL 49 HG11 VAL 49 0.868 2.417 -1.259 298 2HG1 VAL 49 HG12 VAL 49 -0.282 1.111 -0.972 299 3HG1 VAL 49 HG13 VAL 49 -0.471 2.651 -0.134 300 1HG2 VAL 49 HG21 VAL 49 -1.640 4.716 -2.563 301 2HG2 VAL 49 HG22 VAL 49 -1.352 4.341 -0.866 302 3HG2 VAL 49 HG23 VAL 49 -2.813 3.758 -1.662 303 H LEU 50 HN LEU 50 -1.643 1.069 -4.331 304 HA LEU 50 HA LEU 50 0.114 -1.116 -4.217 305 1HB LEU 50 HB2 LEU 50 -2.547 -0.771 -4.707 306 2HB LEU 50 HB1 LEU 50 -1.966 -1.210 -6.300 307 HG LEU 50 HG LEU 50 -1.320 -2.871 -3.877 308 1HD1 LEU 50 HD11 LEU 50 -3.308 -3.923 -3.885 309 2HD1 LEU 50 HD12 LEU 50 -3.509 -3.760 -5.630 310 3HD1 LEU 50 HD13 LEU 50 -3.884 -2.402 -4.568 311 1HD2 LEU 50 HD21 LEU 50 -0.007 -3.248 -5.910 312 2HD2 LEU 50 HD22 LEU 50 -1.495 -3.523 -6.816 313 3HD2 LEU 50 HD23 LEU 50 -1.030 -4.632 -5.526 314 H TYR 51 HN TYR 51 -0.085 1.482 -6.447 315 HA TYR 51 HA TYR 51 1.027 0.094 -8.695 316 1HB TYR 51 HB2 TYR 51 -0.379 2.083 -9.002 317 2HB TYR 51 HB1 TYR 51 0.817 3.065 -8.165 318 HD1 TYR 51 HD1 TYR 51 0.791 0.605 -10.987 319 HD2 TYR 51 HD2 TYR 51 2.131 4.370 -9.527 320 HE1 TYR 51 HE1 TYR 51 1.936 1.019 -13.123 321 HE2 TYR 51 HE2 TYR 51 3.279 4.795 -11.659 322 HH TYR 51 HH TYR 51 2.773 3.733 -14.266 323 H HIS 52 HN HIS 52 2.372 2.624 -6.527 324 HA HIS 52 HA HIS 52 5.011 2.317 -7.517 325 1HB HIS 52 HB2 HIS 52 4.502 3.314 -4.739 326 2HB HIS 52 HB1 HIS 52 5.686 3.859 -5.915 327 HD1 HIS 52 HD1 HIS 52 4.573 5.204 -8.032 328 HD2 HIS 52 HD2 HIS 52 2.327 4.910 -4.550 329 HE1 HIS 52 HE1 HIS 52 2.856 7.034 -8.181 330 HE2 HIS 52 HE2 HIS 52 1.587 6.910 -6.011 331 H LEU 53 HN LEU 53 3.171 0.693 -5.044 332 HA LEU 53 HA LEU 53 5.297 -0.450 -3.612 333 1HB LEU 53 HB2 LEU 53 3.093 -0.395 -2.676 334 2HB LEU 53 HB1 LEU 53 2.433 -1.291 -4.032 335 HG LEU 53 HG LEU 53 3.735 -3.248 -3.357 336 1HD1 LEU 53 HD11 LEU 53 5.565 -2.788 -2.143 337 2HD1 LEU 53 HD12 LEU 53 4.464 -2.864 -0.767 338 3HD1 LEU 53 HD13 LEU 53 4.874 -1.304 -1.485 339 1HD2 LEU 53 HD21 LEU 53 2.477 -3.670 -1.195 340 2HD2 LEU 53 HD22 LEU 53 1.502 -3.221 -2.594 341 3HD2 LEU 53 HD23 LEU 53 1.864 -2.024 -1.350 342 H GLY 54 HN GLY 54 3.432 -1.549 -6.425 343 1HA GLY 54 HA2 GLY 54 4.653 -4.095 -6.640 344 2HA GLY 54 HA1 GLY 54 3.836 -3.235 -7.942 345 H GLN 55 HN GLN 55 5.471 -0.917 -7.902 346 HA GLN 55 HA GLN 55 7.640 -1.830 -9.522 347 1HB GLN 55 HB2 GLN 55 7.011 0.930 -8.454 348 2HB GLN 55 HB1 GLN 55 8.228 0.572 -9.671 349 1HG GLN 55 HG2 GLN 55 5.994 -0.584 -10.735 350 2HG GLN 55 HG1 GLN 55 5.335 0.837 -9.926 351 1HE2 GLN 55 HE21 GLN 55 4.985 2.295 -11.447 352 2HE2 GLN 55 HE22 GLN 55 6.119 2.790 -12.653 353 H TYR 56 HN TYR 56 7.214 -0.937 -6.198 354 HA TYR 56 HA TYR 56 9.872 -0.358 -5.503 355 1HB TYR 56 HB2 TYR 56 8.074 0.164 -3.969 356 2HB TYR 56 HB1 TYR 56 7.611 -1.530 -3.868 357 HD1 TYR 56 HD1 TYR 56 10.197 0.925 -2.919 358 HD2 TYR 56 HD2 TYR 56 8.715 -3.025 -2.388 359 HE1 TYR 56 HE1 TYR 56 11.708 0.623 -1.005 360 HE2 TYR 56 HE2 TYR 56 10.206 -3.332 -0.462 361 HH TYR 56 HH TYR 56 11.373 -1.806 1.231 362 H ILE 57 HN ILE 57 8.107 -3.377 -5.822 363 HA ILE 57 HA ILE 57 10.108 -5.045 -4.686 364 HB ILE 57 HB ILE 57 7.982 -5.838 -6.677 365 1HG1 ILE 57 HG12 ILE 57 7.844 -5.749 -3.655 366 2HG1 ILE 57 HG11 ILE 57 7.005 -4.654 -4.750 367 1HG2 ILE 57 HG21 ILE 57 9.245 -7.525 -4.534 368 2HG2 ILE 57 HG22 ILE 57 9.888 -7.429 -6.173 369 3HG2 ILE 57 HG23 ILE 57 8.259 -8.047 -5.900 370 1HD1 ILE 57 HD11 ILE 57 6.572 -7.608 -4.895 371 2HD1 ILE 57 HD12 ILE 57 5.533 -6.300 -5.461 372 3HD1 ILE 57 HD13 ILE 57 5.703 -6.606 -3.732 373 H MET 58 HN MET 58 9.158 -4.429 -8.075 374 HA MET 58 HA MET 58 11.206 -5.954 -9.232 375 1HB MET 58 HB2 MET 58 10.632 -4.946 -11.298 376 2HB MET 58 HB1 MET 58 9.138 -5.050 -10.380 377 1HG MET 58 HG2 MET 58 8.815 -2.890 -10.678 378 2HG MET 58 HG1 MET 58 10.298 -2.548 -9.790 379 1HE MET 58 HE1 MET 58 12.552 -1.213 -11.461 380 2HE MET 58 HE2 MET 58 11.121 -0.763 -10.534 381 3HE MET 58 HE3 MET 58 11.326 -0.170 -12.182 382 H ALA 59 HN ALA 59 11.203 -2.766 -7.866 383 HA ALA 59 HA ALA 59 13.696 -1.966 -9.072 384 1HB ALA 59 HB1 ALA 59 12.459 -0.098 -8.606 385 2HB ALA 59 HB2 ALA 59 13.454 -0.172 -7.151 386 3HB ALA 59 HB3 ALA 59 11.796 -0.772 -7.117 387 H LYS 60 HN LYS 60 12.687 -2.631 -5.707 388 HA LYS 60 HA LYS 60 15.295 -2.718 -4.658 389 1HB LYS 60 HB2 LYS 60 12.602 -3.615 -3.741 390 2HB LYS 60 HB1 LYS 60 14.013 -4.213 -2.880 391 1HG LYS 60 HG2 LYS 60 13.009 -2.204 -1.867 392 2HG LYS 60 HG1 LYS 60 14.697 -1.984 -2.326 393 1HD LYS 60 HD2 LYS 60 13.871 -0.926 -4.448 394 2HD LYS 60 HD1 LYS 60 12.247 -0.977 -3.764 395 1HE LYS 60 HE2 LYS 60 12.820 1.106 -3.078 396 2HE LYS 60 HE1 LYS 60 13.519 0.201 -1.735 397 1HZ LYS 60 HZ1 LYS 60 15.220 0.607 -4.065 398 2HZ LYS 60 HZ2 LYS 60 15.614 0.624 -2.421 399 3HZ LYS 60 HZ3 LYS 60 14.886 1.976 -3.129 400 H GLN 61 HN GLN 61 13.395 -5.031 -6.389 401 HA GLN 61 HA GLN 61 13.909 -7.059 -7.276 402 1HB GLN 61 HB2 GLN 61 16.197 -5.996 -7.557 403 2HB GLN 61 HB1 GLN 61 16.658 -6.800 -6.062 404 1HG GLN 61 HG2 GLN 61 17.002 -8.724 -7.105 405 2HG GLN 61 HG1 GLN 61 15.436 -8.648 -7.911 406 1HE2 GLN 61 HE21 GLN 61 15.701 -6.399 -9.436 407 2HE2 GLN 61 HE22 GLN 61 16.932 -6.638 -10.625 408 H LEU 62 HN LEU 62 12.359 -7.483 -5.395 409 HA LEU 62 HA LEU 62 13.619 -9.197 -3.367 410 1HB LEU 62 HB2 LEU 62 10.775 -8.208 -3.368 411 2HB LEU 62 HB1 LEU 62 11.669 -8.907 -2.031 412 HG LEU 62 HG LEU 62 12.153 -6.203 -3.282 413 1HD1 LEU 62 HD11 LEU 62 11.194 -6.929 -0.520 414 2HD1 LEU 62 HD12 LEU 62 10.147 -6.405 -1.838 415 3HD1 LEU 62 HD13 LEU 62 11.370 -5.309 -1.196 416 1HD2 LEU 62 HD21 LEU 62 13.951 -5.888 -1.837 417 2HD2 LEU 62 HD22 LEU 62 14.181 -7.536 -2.422 418 3HD2 LEU 62 HD23 LEU 62 13.498 -7.255 -0.820 419 H TYR 63 HN TYR 63 12.116 -9.436 -6.315 420 HA TYR 63 HA TYR 63 10.488 -11.750 -5.797 421 1HB TYR 63 HB2 TYR 63 10.249 -11.825 -8.265 422 2HB TYR 63 HB1 TYR 63 9.859 -10.245 -7.594 423 HD1 TYR 63 HD1 TYR 63 12.630 -12.137 -9.209 424 HD2 TYR 63 HD2 TYR 63 10.887 -8.333 -8.442 425 HE1 TYR 63 HE1 TYR 63 14.250 -11.095 -10.737 426 HE2 TYR 63 HE2 TYR 63 12.506 -7.279 -9.967 427 HH TYR 63 HH TYR 63 14.654 -7.688 -10.944 428 H ASP 64 HN ASP 64 10.872 -13.860 -6.653 429 HA ASP 64 HA ASP 64 13.667 -14.623 -6.479 430 1HB ASP 64 HB2 ASP 64 11.940 -15.906 -5.258 431 2HB ASP 64 HB1 ASP 64 11.198 -16.347 -6.791 432 H GLU 65 HN GLU 65 14.856 -15.607 -8.088 433 HA GLU 65 HA GLU 65 14.341 -14.855 -10.741 434 1HB GLU 65 HB2 GLU 65 16.357 -16.456 -9.324 435 2HB GLU 65 HB1 GLU 65 16.101 -16.949 -10.992 436 1HG GLU 65 HG2 GLU 65 16.717 -14.134 -10.127 437 2HG GLU 65 HG1 GLU 65 17.917 -15.295 -10.695 438 H LYS 66 HN LYS 66 14.204 -18.103 -9.259 439 HA LYS 66 HA LYS 66 13.205 -19.465 -11.474 440 1HB LYS 66 HB2 LYS 66 12.559 -20.046 -8.577 441 2HB LYS 66 HB1 LYS 66 12.477 -21.182 -9.917 442 1HG LYS 66 HG2 LYS 66 14.504 -21.800 -9.190 443 2HG LYS 66 HG1 LYS 66 15.052 -20.391 -10.102 444 1HD LYS 66 HD2 LYS 66 14.241 -19.436 -7.582 445 2HD LYS 66 HD1 LYS 66 15.185 -20.895 -7.277 446 1HE LYS 66 HE2 LYS 66 17.076 -20.027 -8.379 447 2HE LYS 66 HE1 LYS 66 16.143 -18.732 -9.129 448 1HZ LYS 66 HZ1 LYS 66 16.823 -18.992 -6.251 449 2HZ LYS 66 HZ2 LYS 66 15.793 -17.808 -6.882 450 3HZ LYS 66 HZ3 LYS 66 17.422 -17.839 -7.335 451 H GLN 67 HN GLN 67 11.267 -18.534 -8.627 452 HA GLN 67 HA GLN 67 8.891 -18.435 -10.318 453 1HB GLN 67 HB2 GLN 67 8.831 -17.918 -7.373 454 2HB GLN 67 HB1 GLN 67 7.631 -18.695 -8.392 455 1HG GLN 67 HG2 GLN 67 8.373 -20.560 -7.401 456 2HG GLN 67 HG1 GLN 67 9.644 -20.462 -8.617 457 1HE2 GLN 67 HE21 GLN 67 9.046 -18.723 -5.581 458 2HE2 GLN 67 HE22 GLN 67 10.579 -19.084 -4.874 459 H GLN 68 HN GLN 68 8.163 -16.558 -11.091 460 HA GLN 68 HA GLN 68 9.358 -14.084 -10.180 461 1HB GLN 68 HB2 GLN 68 7.758 -14.948 -12.520 462 2HB GLN 68 HB1 GLN 68 7.594 -13.265 -12.036 463 1HG GLN 68 HG2 GLN 68 9.327 -13.046 -13.471 464 2HG GLN 68 HG1 GLN 68 10.240 -13.406 -12.005 465 1HE2 GLN 68 HE21 GLN 68 11.927 -14.553 -12.637 466 2HE2 GLN 68 HE22 GLN 68 11.874 -15.965 -13.630 467 H HIS 69 HN HIS 69 6.409 -15.823 -9.727 468 HA HIS 69 HA HIS 69 4.999 -13.485 -8.735 469 1HB HIS 69 HB2 HIS 69 3.061 -14.841 -8.618 470 2HB HIS 69 HB1 HIS 69 3.887 -15.313 -10.097 471 HD1 HIS 69 HD1 HIS 69 5.987 -17.153 -8.410 472 HD2 HIS 69 HD2 HIS 69 1.837 -17.353 -8.411 473 HE1 HIS 69 HE1 HIS 69 5.427 -19.496 -7.693 474 HE2 HIS 69 HE2 HIS 69 2.913 -19.619 -7.784 475 H ILE 70 HN ILE 70 7.418 -14.975 -7.436 476 HA ILE 70 HA ILE 70 6.235 -15.098 -4.740 477 HB ILE 70 HB ILE 70 8.574 -16.690 -5.804 478 1HG1 ILE 70 HG12 ILE 70 6.509 -17.655 -6.548 479 2HG1 ILE 70 HG11 ILE 70 7.097 -18.635 -5.211 480 1HG2 ILE 70 HG21 ILE 70 9.291 -16.629 -3.686 481 2HG2 ILE 70 HG22 ILE 70 7.963 -17.742 -3.356 482 3HG2 ILE 70 HG23 ILE 70 7.752 -16.012 -3.082 483 1HD1 ILE 70 HD11 ILE 70 5.514 -16.894 -3.891 484 2HD1 ILE 70 HD12 ILE 70 4.984 -18.464 -4.496 485 3HD1 ILE 70 HD13 ILE 70 4.672 -17.005 -5.436 486 H VAL 71 HN VAL 71 7.116 -13.825 -3.219 487 HA VAL 71 HA VAL 71 9.662 -12.477 -3.839 488 HB VAL 71 HB VAL 71 7.422 -11.131 -2.342 489 1HG1 VAL 71 HG11 VAL 71 9.966 -10.441 -2.366 490 2HG1 VAL 71 HG12 VAL 71 8.687 -9.228 -2.431 491 3HG1 VAL 71 HG13 VAL 71 9.517 -9.715 -3.909 492 1HG2 VAL 71 HG21 VAL 71 6.321 -11.276 -4.334 493 2HG2 VAL 71 HG22 VAL 71 7.808 -11.432 -5.272 494 3HG2 VAL 71 HG23 VAL 71 7.307 -9.852 -4.668 495 H HIS 72 HN HIS 72 11.067 -13.404 -2.452 496 HA HIS 72 HA HIS 72 10.314 -13.428 0.393 497 1HB HIS 72 HB2 HIS 72 11.522 -15.498 0.721 498 2HB HIS 72 HB1 HIS 72 10.326 -15.722 -0.550 499 HD1 HIS 72 HD1 HIS 72 11.504 -15.247 -3.085 500 HD2 HIS 72 HD2 HIS 72 13.893 -16.573 0.046 501 HE1 HIS 72 HE1 HIS 72 13.549 -16.232 -4.168 502 HE2 HIS 72 HE2 HIS 72 15.016 -16.951 -2.252 503 H CYS 73 HN CYS 73 11.375 -11.647 1.063 504 HA CYS 73 HA CYS 73 14.304 -11.691 0.814 505 1HB CYS 73 HB2 CYS 73 12.547 -9.721 -0.259 506 2HB CYS 73 HB1 CYS 73 13.423 -8.986 1.079 507 HG CYS 73 HG CYS 73 14.546 -9.331 -1.596 508 H SER 74 HN SER 74 14.846 -12.317 2.842 509 HA SER 74 HA SER 74 13.404 -11.691 5.163 510 1HB SER 74 HB2 SER 74 15.200 -13.515 4.812 511 2HB SER 74 HB1 SER 74 16.362 -12.243 5.188 512 HG SER 74 HG SER 74 14.172 -12.854 6.872 513 H ASN 75 HN ASN 75 16.326 -10.138 3.831 514 HA ASN 75 HA ASN 75 15.932 -8.035 5.835 515 1HB ASN 75 HB2 ASN 75 18.214 -8.587 3.925 516 2HB ASN 75 HB1 ASN 75 18.137 -7.176 4.975 517 1HD2 ASN 75 HD21 ASN 75 17.878 -10.709 5.122 518 2HD2 ASN 75 HD22 ASN 75 18.729 -10.880 6.615 519 H ASP 76 HN ASP 76 14.166 -7.005 5.033 520 HA ASP 76 HA ASP 76 14.672 -5.120 2.924 521 1HB ASP 76 HB2 ASP 76 13.958 -7.189 1.690 522 2HB ASP 76 HB1 ASP 76 12.400 -7.067 2.502 523 HA PRO 77 HA PRO 77 12.048 -2.720 5.560 524 1HB PRO 77 HB2 PRO 77 11.207 -1.249 3.148 525 2HB PRO 77 HB1 PRO 77 12.020 -0.665 4.597 526 1HG PRO 77 HG2 PRO 77 13.261 -0.930 2.205 527 2HG PRO 77 HG1 PRO 77 14.094 -1.046 3.762 528 1HD PRO 77 HD2 PRO 77 13.366 -3.178 1.846 529 2HD PRO 77 HD1 PRO 77 14.677 -3.110 3.035 530 H LEU 78 HN LEU 78 10.946 -4.302 2.669 531 HA LEU 78 HA LEU 78 8.148 -3.852 3.148 532 1HB LEU 78 HB2 LEU 78 9.496 -4.450 0.932 533 2HB LEU 78 HB1 LEU 78 9.094 -6.083 1.422 534 HG LEU 78 HG LEU 78 6.688 -5.413 1.465 535 1HD1 LEU 78 HD11 LEU 78 6.932 -3.033 1.776 536 2HD1 LEU 78 HD12 LEU 78 6.069 -3.347 0.270 537 3HD1 LEU 78 HD13 LEU 78 7.771 -2.887 0.231 538 1HD2 LEU 78 HD21 LEU 78 7.773 -6.546 -0.466 539 2HD2 LEU 78 HD22 LEU 78 8.032 -4.961 -1.194 540 3HD2 LEU 78 HD23 LEU 78 6.392 -5.543 -0.911 541 H GLY 79 HN GLY 79 10.374 -6.606 3.471 542 1HA GLY 79 HA2 GLY 79 8.509 -8.459 4.451 543 2HA GLY 79 HA1 GLY 79 10.243 -8.518 4.735 544 H GLU 80 HN GLU 80 10.426 -6.007 6.098 545 HA GLU 80 HA GLU 80 9.742 -6.880 8.727 546 1HB GLU 80 HB2 GLU 80 10.970 -5.056 9.506 547 2HB GLU 80 HB1 GLU 80 11.746 -5.426 7.972 548 1HG GLU 80 HG2 GLU 80 10.568 -3.613 6.899 549 2HG GLU 80 HG1 GLU 80 9.690 -3.271 8.388 550 H LEU 81 HN LEU 81 8.313 -4.755 6.373 551 HA LEU 81 HA LEU 81 6.545 -3.386 8.127 552 1HB LEU 81 HB2 LEU 81 7.120 -2.492 5.939 553 2HB LEU 81 HB1 LEU 81 6.401 -3.882 5.153 554 HG LEU 81 HG LEU 81 4.187 -3.193 6.072 555 1HD1 LEU 81 HD11 LEU 81 5.196 -0.470 6.602 556 2HD1 LEU 81 HD12 LEU 81 5.537 -1.691 7.828 557 3HD1 LEU 81 HD13 LEU 81 3.871 -1.359 7.353 558 1HD2 LEU 81 HD21 LEU 81 3.845 -1.379 4.488 559 2HD2 LEU 81 HD22 LEU 81 4.872 -2.631 3.788 560 3HD2 LEU 81 HD23 LEU 81 5.588 -1.130 4.376 561 H PHE 82 HN PHE 82 5.869 -5.893 5.684 562 HA PHE 82 HA PHE 82 3.259 -6.431 6.616 563 1HB PHE 82 HB2 PHE 82 5.086 -8.235 5.015 564 2HB PHE 82 HB1 PHE 82 3.340 -8.398 5.163 565 HD1 PHE 82 HD1 PHE 82 2.758 -5.384 4.960 566 HD2 PHE 82 HD2 PHE 82 5.156 -8.036 2.652 567 HE1 PHE 82 HE1 PHE 82 2.457 -3.937 2.993 568 HE2 PHE 82 HE2 PHE 82 4.861 -6.593 0.682 569 HZ PHE 82 HZ PHE 82 3.510 -4.540 0.851 570 H GLY 83 HN GLY 83 6.389 -7.584 7.587 571 1HA GLY 83 HA2 GLY 83 6.884 -8.654 9.604 572 2HA GLY 83 HA1 GLY 83 5.171 -8.975 9.827 573 H VAL 84 HN VAL 84 6.867 -9.768 6.874 574 HA VAL 84 HA VAL 84 7.030 -12.584 7.652 575 HB VAL 84 HB VAL 84 5.977 -13.301 5.531 576 1HG1 VAL 84 HG11 VAL 84 4.765 -12.903 7.802 577 2HG1 VAL 84 HG12 VAL 84 3.822 -13.249 6.352 578 3HG1 VAL 84 HG13 VAL 84 3.970 -11.591 6.933 579 1HG2 VAL 84 HG21 VAL 84 4.474 -11.521 4.446 580 2HG2 VAL 84 HG22 VAL 84 6.196 -11.497 4.067 581 3HG2 VAL 84 HG23 VAL 84 5.533 -10.350 5.232 582 H GLN 85 HN GLN 85 8.394 -13.859 6.272 583 HA GLN 85 HA GLN 85 10.570 -12.306 5.167 584 1HB GLN 85 HB2 GLN 85 11.094 -14.195 6.607 585 2HB GLN 85 HB1 GLN 85 10.210 -15.284 5.546 586 1HG GLN 85 HG2 GLN 85 11.856 -14.566 3.737 587 2HG GLN 85 HG1 GLN 85 12.818 -13.899 5.055 588 1HE2 GLN 85 HE21 GLN 85 13.786 -15.885 3.409 589 2HE2 GLN 85 HE22 GLN 85 13.958 -17.346 4.314 590 H GLU 86 HN GLU 86 8.011 -14.430 4.054 591 HA GLU 86 HA GLU 86 8.611 -13.628 1.305 592 1HB GLU 86 HB2 GLU 86 8.259 -15.927 0.493 593 2HB GLU 86 HB1 GLU 86 9.661 -15.808 1.547 594 1HG GLU 86 HG2 GLU 86 7.662 -16.442 3.303 595 2HG GLU 86 HG1 GLU 86 7.202 -17.341 1.857 596 H PHE 87 HN PHE 87 6.816 -13.842 -0.154 597 HA PHE 87 HA PHE 87 4.228 -14.580 0.836 598 1HB PHE 87 HB2 PHE 87 3.183 -12.386 0.691 599 2HB PHE 87 HB1 PHE 87 4.492 -12.347 1.868 600 HD1 PHE 87 HD1 PHE 87 3.335 -11.174 -1.387 601 HD2 PHE 87 HD2 PHE 87 6.524 -11.104 1.430 602 HE1 PHE 87 HE1 PHE 87 4.328 -9.256 -2.566 603 HE2 PHE 87 HE2 PHE 87 7.523 -9.185 0.257 604 HZ PHE 87 HZ PHE 87 6.424 -8.259 -1.743 605 H SER 88 HN SER 88 3.169 -15.412 -0.831 606 HA SER 88 HA SER 88 4.109 -14.971 -3.521 607 1HB SER 88 HB2 SER 88 3.491 -17.213 -3.043 608 2HB SER 88 HB1 SER 88 1.955 -16.718 -2.332 609 HG SER 88 HG SER 88 2.708 -16.609 -5.063 610 H VAL 89 HN VAL 89 3.430 -13.367 -4.772 611 HA VAL 89 HA VAL 89 1.347 -11.617 -4.079 612 HB VAL 89 HB VAL 89 1.537 -10.873 -6.535 613 1HG1 VAL 89 HG11 VAL 89 3.733 -10.763 -4.501 614 2HG1 VAL 89 HG12 VAL 89 2.556 -9.524 -4.940 615 3HG1 VAL 89 HG13 VAL 89 3.873 -9.921 -6.044 616 1HG2 VAL 89 HG21 VAL 89 2.547 -13.088 -7.236 617 2HG2 VAL 89 HG22 VAL 89 4.035 -12.546 -6.457 618 3HG2 VAL 89 HG23 VAL 89 3.368 -11.637 -7.812 619 H LYS 90 HN LYS 90 1.236 -14.683 -5.570 620 HA LYS 90 HA LYS 90 -0.868 -14.536 -7.340 621 1HB LYS 90 HB2 LYS 90 0.552 -16.561 -6.708 622 2HB LYS 90 HB1 LYS 90 -0.558 -16.791 -5.364 623 1HG LYS 90 HG2 LYS 90 -1.275 -18.221 -7.102 624 2HG LYS 90 HG1 LYS 90 -2.419 -16.878 -7.047 625 1HD LYS 90 HD2 LYS 90 -1.363 -15.834 -8.942 626 2HD LYS 90 HD1 LYS 90 -0.077 -17.043 -8.940 627 1HE LYS 90 HE2 LYS 90 -1.669 -18.782 -9.497 628 2HE LYS 90 HE1 LYS 90 -2.999 -17.628 -9.404 629 1HZ LYS 90 HZ1 LYS 90 -0.747 -17.266 -11.287 630 2HZ LYS 90 HZ2 LYS 90 -2.273 -16.539 -11.325 631 3HZ LYS 90 HZ3 LYS 90 -2.111 -18.181 -11.693 632 H GLU 91 HN GLU 91 -0.949 -14.554 -3.828 633 HA GLU 91 HA GLU 91 -3.865 -14.593 -3.810 634 1HB GLU 91 HB2 GLU 91 -1.764 -14.724 -1.661 635 2HB GLU 91 HB1 GLU 91 -3.451 -14.425 -1.268 636 1HG GLU 91 HG2 GLU 91 -3.750 -16.585 -2.811 637 2HG GLU 91 HG1 GLU 91 -2.125 -16.891 -2.197 638 H HIS 92 HN HIS 92 -4.160 -12.564 -4.870 639 HA HIS 92 HA HIS 92 -3.100 -10.123 -4.054 640 1HB HIS 92 HB2 HIS 92 -5.682 -10.847 -5.425 641 2HB HIS 92 HB1 HIS 92 -5.246 -9.174 -5.095 642 HD1 HIS 92 HD1 HIS 92 -5.570 -9.885 -7.972 643 HD2 HIS 92 HD2 HIS 92 -1.958 -10.348 -5.968 644 HE1 HIS 92 HE1 HIS 92 -3.803 -9.885 -9.761 645 HE2 HIS 92 HE2 HIS 92 -1.620 -10.070 -8.517 646 H ARG 93 HN ARG 93 -5.771 -11.980 -2.765 647 HA ARG 93 HA ARG 93 -7.013 -9.987 -1.239 648 1HB ARG 93 HB2 ARG 93 -6.939 -12.952 -1.208 649 2HB ARG 93 HB1 ARG 93 -7.480 -12.165 0.268 650 1HG ARG 93 HG2 ARG 93 -9.390 -11.376 -0.683 651 2HG ARG 93 HG1 ARG 93 -8.675 -11.266 -2.293 652 1HD ARG 93 HD2 ARG 93 -10.084 -13.055 -2.574 653 2HD ARG 93 HD1 ARG 93 -8.600 -13.879 -2.098 654 HE ARG 93 HE ARG 93 -10.278 -13.241 0.131 655 1HH1 ARG 93 HH11 ARG 93 -9.733 -15.548 -2.430 656 2HH1 ARG 93 HH12 ARG 93 -10.495 -16.854 -1.586 657 1HH2 ARG 93 HH21 ARG 93 -11.281 -14.958 1.243 658 2HH2 ARG 93 HH22 ARG 93 -11.375 -16.519 0.499 659 H ARG 94 HN ARG 94 -4.203 -11.994 -0.596 660 HA ARG 94 HA ARG 94 -3.968 -11.331 2.157 661 1HB ARG 94 HB2 ARG 94 -2.464 -12.852 0.183 662 2HB ARG 94 HB1 ARG 94 -1.408 -11.968 1.277 663 1HG ARG 94 HG2 ARG 94 -3.630 -13.774 2.198 664 2HG ARG 94 HG1 ARG 94 -1.957 -14.295 1.988 665 1HD ARG 94 HD2 ARG 94 -1.694 -13.689 4.126 666 2HD ARG 94 HD1 ARG 94 -1.671 -12.039 3.505 667 HE ARG 94 HE ARG 94 -4.310 -13.027 4.076 668 1HH1 ARG 94 HH11 ARG 94 -1.489 -11.463 5.409 669 2HH1 ARG 94 HH12 ARG 94 -2.362 -10.711 6.701 670 1HH2 ARG 94 HH21 ARG 94 -5.460 -12.038 5.775 671 2HH2 ARG 94 HH22 ARG 94 -4.616 -11.037 6.910 672 H ILE 95 HN ILE 95 -2.299 -10.140 -0.753 673 HA ILE 95 HA ILE 95 -0.654 -8.272 0.516 674 HB ILE 95 HB ILE 95 -1.824 -8.041 -2.257 675 1HG1 ILE 95 HG12 ILE 95 0.638 -9.474 -1.239 676 2HG1 ILE 95 HG11 ILE 95 -0.764 -10.198 -2.020 677 1HG2 ILE 95 HG21 ILE 95 0.639 -6.834 -1.004 678 2HG2 ILE 95 HG22 ILE 95 -0.808 -5.976 -1.532 679 3HG2 ILE 95 HG23 ILE 95 0.239 -6.754 -2.719 680 1HD1 ILE 95 HD11 ILE 95 0.187 -9.951 -3.994 681 2HD1 ILE 95 HD12 ILE 95 1.615 -9.287 -3.202 682 3HD1 ILE 95 HD13 ILE 95 0.326 -8.212 -3.740 683 H TYR 96 HN TYR 96 -3.657 -7.583 -1.289 684 HA TYR 96 HA TYR 96 -3.948 -4.928 -0.604 685 1HB TYR 96 HB2 TYR 96 -5.329 -6.303 -2.242 686 2HB TYR 96 HB1 TYR 96 -6.273 -6.836 -0.855 687 HD1 TYR 96 HD1 TYR 96 -7.770 -5.309 0.292 688 HD2 TYR 96 HD2 TYR 96 -5.474 -4.013 -3.049 689 HE1 TYR 96 HE1 TYR 96 -9.183 -3.305 0.107 690 HE2 TYR 96 HE2 TYR 96 -6.881 -2.005 -3.242 691 HH TYR 96 HH TYR 96 -8.929 -0.955 -0.841 692 H ALA 97 HN ALA 97 -4.509 -7.744 1.347 693 HA ALA 97 HA ALA 97 -6.083 -6.376 3.332 694 1HB ALA 97 HB1 ALA 97 -6.382 -8.770 2.903 695 2HB ALA 97 HB2 ALA 97 -5.953 -8.456 4.584 696 3HB ALA 97 HB3 ALA 97 -4.738 -9.072 3.465 697 H MET 98 HN MET 98 -2.791 -7.765 3.281 698 HA MET 98 HA MET 98 -2.059 -6.802 5.819 699 1HB MET 98 HB2 MET 98 0.114 -7.540 5.340 700 2HB MET 98 HB1 MET 98 -0.923 -8.611 4.410 701 1HG MET 98 HG2 MET 98 -0.487 -6.855 2.510 702 2HG MET 98 HG1 MET 98 0.937 -6.491 3.480 703 1HE MET 98 HE1 MET 98 1.380 -8.209 0.224 704 2HE MET 98 HE2 MET 98 2.907 -8.259 1.106 705 3HE MET 98 HE3 MET 98 1.857 -6.847 1.239 706 H ILE 99 HN ILE 99 -1.777 -5.384 2.603 707 HA ILE 99 HA ILE 99 -0.209 -3.150 3.424 708 HB ILE 99 HB ILE 99 -0.852 -2.156 1.250 709 1HG1 ILE 99 HG12 ILE 99 -2.069 -4.210 -0.135 710 2HG1 ILE 99 HG11 ILE 99 -2.903 -4.241 1.416 711 1HG2 ILE 99 HG21 ILE 99 1.023 -3.343 0.858 712 2HG2 ILE 99 HG22 ILE 99 -0.071 -4.368 -0.072 713 3HG2 ILE 99 HG23 ILE 99 0.371 -4.815 1.576 714 1HD1 ILE 99 HD11 ILE 99 -3.202 -2.427 -0.779 715 2HD1 ILE 99 HD12 ILE 99 -2.770 -1.548 0.687 716 3HD1 ILE 99 HD13 ILE 99 -4.184 -2.602 0.675 717 H SER 100 HN SER 100 -3.631 -3.839 3.293 718 HA SER 100 HA SER 100 -4.555 -1.170 3.536 719 1HB SER 100 HB2 SER 100 -6.146 -2.744 2.774 720 2HB SER 100 HB1 SER 100 -5.808 -3.853 4.104 721 HG SER 100 HG SER 100 -7.161 -1.367 4.205 722 H ARG 101 HN ARG 101 -3.831 -3.710 5.889 723 HA ARG 101 HA ARG 101 -4.674 -2.227 8.162 724 1HB ARG 101 HB2 ARG 101 -2.649 -4.464 8.139 725 2HB ARG 101 HB1 ARG 101 -3.682 -3.966 9.471 726 1HG ARG 101 HG2 ARG 101 -5.450 -5.129 8.713 727 2HG ARG 101 HG1 ARG 101 -5.090 -4.781 7.021 728 1HD ARG 101 HD2 ARG 101 -4.624 -7.014 7.053 729 2HD ARG 101 HD1 ARG 101 -3.041 -6.379 7.500 730 HE ARG 101 HE ARG 101 -3.292 -7.300 9.582 731 1HH1 ARG 101 HH11 ARG 101 -6.385 -7.286 7.966 732 2HH1 ARG 101 HH12 ARG 101 -7.161 -8.253 9.175 733 1HH2 ARG 101 HH21 ARG 101 -4.311 -8.572 11.173 734 2HH2 ARG 101 HH22 ARG 101 -5.985 -8.983 10.996 735 H ASN 102 HN ASN 102 -1.913 -2.032 6.175 736 HA ASN 102 HA ASN 102 -0.264 -0.828 8.260 737 1HB ASN 102 HB2 ASN 102 0.296 -1.576 5.389 738 2HB ASN 102 HB1 ASN 102 1.453 -0.722 6.406 739 1HD2 ASN 102 HD21 ASN 102 2.107 -3.125 5.304 740 2HD2 ASN 102 HD22 ASN 102 2.203 -4.331 6.538 741 H LEU 103 HN LEU 103 -2.683 0.518 7.359 742 HA LEU 103 HA LEU 103 -1.506 2.917 6.118 743 1HB LEU 103 HB2 LEU 103 -4.435 2.212 6.201 744 2HB LEU 103 HB1 LEU 103 -3.665 3.471 5.254 745 HG LEU 103 HG LEU 103 -3.168 0.526 4.831 746 1HD1 LEU 103 HD11 LEU 103 -5.514 1.068 4.398 747 2HD1 LEU 103 HD12 LEU 103 -4.647 0.698 2.908 748 3HD1 LEU 103 HD13 LEU 103 -5.012 2.372 3.323 749 1HD2 LEU 103 HD21 LEU 103 -2.748 2.450 2.662 750 2HD2 LEU 103 HD22 LEU 103 -1.746 1.101 3.196 751 3HD2 LEU 103 HD23 LEU 103 -1.661 2.648 4.037 752 H VAL 104 HN VAL 104 -0.991 4.315 7.685 753 HA VAL 104 HA VAL 104 -2.241 4.377 10.222 754 HB VAL 104 HB VAL 104 -0.973 6.471 10.600 755 1HG1 VAL 104 HG11 VAL 104 1.330 5.321 9.926 756 2HG1 VAL 104 HG12 VAL 104 0.259 3.942 9.677 757 3HG1 VAL 104 HG13 VAL 104 0.328 4.732 11.252 758 1HG2 VAL 104 HG21 VAL 104 -0.916 7.588 8.550 759 2HG2 VAL 104 HG22 VAL 104 -0.363 6.160 7.678 760 3HG2 VAL 104 HG23 VAL 104 0.737 7.013 8.759 761 H SER 105 HN SER 105 -2.375 6.718 7.522 762 HA SER 105 HA SER 105 -4.825 7.808 8.727 763 1HB SER 105 HB2 SER 105 -2.583 9.165 7.964 764 2HB SER 105 HB1 SER 105 -3.589 9.323 6.524 765 HG SER 105 HG SER 105 -4.564 9.872 9.122 766 H ALA 106 HN ALA 106 -6.462 6.625 7.892 767 HA ALA 106 HA ALA 106 -6.628 6.424 4.955 768 1HB ALA 106 HB1 ALA 106 -6.556 4.288 6.390 769 2HB ALA 106 HB2 ALA 106 -7.800 4.415 5.146 770 3HB ALA 106 HB3 ALA 106 -8.211 4.706 6.837 771 H ASN 107 HN ASN 107 -8.038 7.818 4.071 772 HA ASN 107 HA ASN 107 -9.811 9.390 5.573 773 1HB ASN 107 HB2 ASN 107 -10.804 9.990 3.363 774 2HB ASN 107 HB1 ASN 107 -9.049 10.136 3.413 775 1HD2 ASN 107 HD21 ASN 107 -9.874 10.068 1.016 776 2HD2 ASN 107 HD22 ASN 107 -9.727 8.521 0.269 777 H VAL 108 HN VAL 108 -11.303 8.382 6.815 778 HA VAL 108 HA VAL 108 -12.711 6.066 6.085 779 HB VAL 108 HB VAL 108 -14.360 7.038 7.948 780 1HG1 VAL 108 HG11 VAL 108 -13.034 5.011 8.070 781 2HG1 VAL 108 HG12 VAL 108 -12.964 5.907 9.591 782 3HG1 VAL 108 HG13 VAL 108 -11.602 5.963 8.468 783 1HG2 VAL 108 HG21 VAL 108 -13.016 9.236 7.863 784 2HG2 VAL 108 HG22 VAL 108 -11.790 8.348 8.768 785 3HG2 VAL 108 HG23 VAL 108 -13.407 8.553 9.441 786 H LYS 109 HN LYS 109 -14.908 5.776 5.573 787 HA LYS 109 HA LYS 109 -16.050 8.027 4.060 788 1HB LYS 109 HB2 LYS 109 -17.417 6.172 2.958 789 2HB LYS 109 HB1 LYS 109 -15.701 6.233 2.579 790 1HG LYS 109 HG2 LYS 109 -15.246 4.293 3.665 791 2HG LYS 109 HG1 LYS 109 -16.539 4.521 4.845 792 1HD LYS 109 HD2 LYS 109 -18.009 4.237 2.617 793 2HD LYS 109 HD1 LYS 109 -16.605 3.267 2.168 794 1HE LYS 109 HE2 LYS 109 -16.873 1.866 4.083 795 2HE LYS 109 HE1 LYS 109 -18.110 2.928 4.755 796 1HZ LYS 109 HZ1 LYS 109 -18.470 1.586 2.145 797 2HZ LYS 109 HZ2 LYS 109 -19.649 2.263 3.152 798 3HZ LYS 109 HZ3 LYS 109 -18.882 0.823 3.598 799 H GLU 110 HN GLU 110 -17.173 9.055 5.698 800 HA GLU 110 HA GLU 110 -19.762 8.062 6.267 801 1HB GLU 110 HB2 GLU 110 -17.643 7.510 8.216 802 2HB GLU 110 HB1 GLU 110 -19.032 8.339 8.906 803 1HG GLU 110 HG2 GLU 110 -19.718 6.097 7.158 804 2HG GLU 110 HG1 GLU 110 -18.802 5.650 8.596 805 H SER 111 HN SER 111 -20.709 9.505 8.211 806 HA SER 111 HA SER 111 -19.887 12.265 7.591 807 1HB SER 111 HB2 SER 111 -22.358 12.635 8.550 808 2HB SER 111 HB1 SER 111 -22.057 12.261 6.853 809 HG SER 111 HG SER 111 -23.690 10.951 7.999 810 H SER 112 HN SER 112 -18.620 12.967 9.195 811 HA SER 112 HA SER 112 -19.082 12.142 11.936 812 1HB SER 112 HB2 SER 112 -17.047 13.515 12.409 813 2HB SER 112 HB1 SER 112 -16.781 12.265 11.195 814 HG SER 112 HG SER 112 -16.827 13.803 9.607 815 H GLU 113 HN GLU 113 -20.555 13.146 13.125 816 HA GLU 113 HA GLU 113 -21.186 15.952 12.568 817 1HB GLU 113 HB2 GLU 113 -22.659 13.991 14.335 818 2HB GLU 113 HB1 GLU 113 -23.216 15.587 13.851 819 1HG GLU 113 HG2 GLU 113 -23.457 14.897 11.583 820 2HG GLU 113 HG1 GLU 113 -22.671 13.354 11.914 821 H ASP 114 HN ASP 114 -21.790 17.259 14.578 822 HA ASP 114 HA ASP 114 -19.549 17.076 16.435 823 1HB ASP 114 HB2 ASP 114 -21.584 19.254 15.928 824 2HB ASP 114 HB1 ASP 114 -20.325 19.353 17.156 825 H ILE 115 HN ILE 115 -19.884 17.348 18.737 826 HA ILE 115 HA ILE 115 -22.410 16.175 19.639 827 HB ILE 115 HB ILE 115 -19.771 16.116 21.104 828 1HG1 ILE 115 HG12 ILE 115 -21.057 13.948 19.428 829 2HG1 ILE 115 HG11 ILE 115 -19.620 14.863 18.983 830 1HG2 ILE 115 HG21 ILE 115 -21.226 15.666 22.768 831 2HG2 ILE 115 HG22 ILE 115 -21.196 14.050 22.064 832 3HG2 ILE 115 HG23 ILE 115 -22.504 15.163 21.662 833 1HD1 ILE 115 HD11 ILE 115 -19.013 12.682 19.818 834 2HD1 ILE 115 HD12 ILE 115 -19.885 12.987 21.320 835 3HD1 ILE 115 HD13 ILE 115 -18.450 13.933 20.926 836 H PHE 116 HN PHE 116 -23.614 17.843 20.171 837 HA PHE 116 HA PHE 116 -22.679 20.264 21.315 838 1HB PHE 116 HB2 PHE 116 -25.466 19.099 21.168 839 2HB PHE 116 HB1 PHE 116 -25.100 20.735 21.707 840 HD1 PHE 116 HD1 PHE 116 -26.493 19.172 19.120 841 HD2 PHE 116 HD2 PHE 116 -23.183 21.743 19.859 842 HE1 PHE 116 HE1 PHE 116 -26.585 19.954 16.789 843 HE2 PHE 116 HE2 PHE 116 -23.270 22.530 17.530 844 HZ PHE 116 HZ PHE 116 -24.973 21.636 15.991 845 H GLY 117 HN GLY 117 -23.777 17.233 22.642 846 1HA GLY 117 HA2 GLY 117 -22.906 16.722 24.890 847 2HA GLY 117 HA1 GLY 117 -23.378 18.350 25.350 848 H ASN 118 HN ASN 118 -25.273 16.111 23.395 849 HA ASN 118 HA ASN 118 -27.282 16.066 25.551 850 1HB ASN 118 HB2 ASN 118 -27.725 17.186 23.197 851 2HB ASN 118 HB1 ASN 118 -28.025 15.521 22.708 852 1HD2 ASN 118 HD21 ASN 118 -28.783 17.535 25.534 853 2HD2 ASN 118 HD22 ASN 118 -30.464 17.140 25.575 854 H VAL 119 HN VAL 119 -27.742 14.157 26.419 855 HA VAL 119 HA VAL 119 -26.449 11.778 25.541 856 HB VAL 119 HB VAL 119 -27.777 10.651 27.307 857 1HG1 VAL 119 HG11 VAL 119 -26.834 13.075 28.688 858 2HG1 VAL 119 HG12 VAL 119 -25.674 12.313 27.599 859 3HG1 VAL 119 HG13 VAL 119 -26.384 11.386 28.921 860 1HG2 VAL 119 HG21 VAL 119 -29.537 11.582 28.370 861 2HG2 VAL 119 HG22 VAL 119 -29.645 12.548 26.898 862 3HG2 VAL 119 HG23 VAL 119 -28.843 13.203 28.326 863 H30 IMY 120 1H30 IMY 120 3.121 -13.225 -12.610 864 1H30 IMY 120 2H30 IMY 120 3.203 -14.086 -11.022 865 2H30 IMY 120 3H30 IMY 120 4.420 -14.377 -12.271 866 H26 IMY 120 H26 IMY 120 1.944 -12.057 -10.849 867 H25 IMY 120 H25 IMY 120 1.079 -9.900 -10.163 868 H31 IMY 120 H31 IMY 120 7.112 -8.535 -10.858 869 1H32 IMY 120 1H32 IMY 120 6.875 -6.553 -8.500 870 2H32 IMY 120 2H32 IMY 120 8.372 -7.014 -9.328 871 3H32 IMY 120 3H32 IMY 120 7.143 -6.035 -10.153 872 1H33 IMY 120 1H33 IMY 120 6.314 -10.167 -9.232 873 2H33 IMY 120 2H33 IMY 120 7.812 -9.422 -8.652 874 3H33 IMY 120 3H33 IMY 120 6.236 -8.952 -7.967 875 H28 IMY 120 H28 IMY 120 5.921 -10.495 -10.977 876 H4 IMY 120 H4 IMY 120 0.335 -5.894 -9.809 877 H3 IMY 120 H3 IMY 120 2.044 -4.631 -8.827 878 H18 IMY 120 H18 IMY 120 3.016 -7.851 -6.973 879 H17 IMY 120 H17 IMY 120 3.392 -7.914 -4.566 880 H15 IMY 120 H15 IMY 120 2.357 -3.801 -4.210 881 H14 IMY 120 H14 IMY 120 1.930 -3.670 -6.635 882 H20 IMY 120 H20 IMY 120 -1.342 -4.516 -8.640 883 H21 IMY 120 H21 IMY 120 -3.242 -4.517 -7.107 884 H23 IMY 120 H23 IMY 120 -1.846 -8.173 -5.332 885 H24 IMY 120 H24 IMY 120 -0.023 -8.280 -6.946 Start of MODEL 13 1 1H ASN 13 HT1 ASN 13 -7.462 19.316 12.544 2 2H ASN 13 HT2 ASN 13 -5.882 19.901 12.216 3 3H ASN 13 HT3 ASN 13 -6.890 20.725 13.335 4 HA ASN 13 HA ASN 13 -5.144 19.379 14.352 5 1HB ASN 13 HB2 ASN 13 -8.038 19.335 14.846 6 2HB ASN 13 HB1 ASN 13 -7.171 18.014 15.624 7 1HD2 ASN 13 HD21 ASN 13 -4.932 18.930 16.522 8 2HD2 ASN 13 HD22 ASN 13 -5.128 20.291 17.567 9 H HIS 14 HN HIS 14 -7.820 17.329 13.171 10 HA HIS 14 HA HIS 14 -5.993 15.045 13.126 11 1HB HIS 14 HB2 HIS 14 -8.914 15.396 13.370 12 2HB HIS 14 HB1 HIS 14 -8.404 14.012 12.409 13 HD1 HIS 14 HD1 HIS 14 -6.202 12.761 13.868 14 HD2 HIS 14 HD2 HIS 14 -9.364 14.550 15.885 15 HE1 HIS 14 HE1 HIS 14 -6.213 11.722 16.158 16 HE2 HIS 14 HE2 HIS 14 -8.189 12.755 17.330 17 H ILE 15 HN ILE 15 -5.716 13.742 11.289 18 HA ILE 15 HA ILE 15 -5.364 13.326 9.081 19 HB ILE 15 HB ILE 15 -7.774 15.020 8.458 20 1HG1 ILE 15 HG12 ILE 15 -8.390 13.558 10.319 21 2HG1 ILE 15 HG11 ILE 15 -9.161 13.015 8.833 22 1HG2 ILE 15 HG21 ILE 15 -6.890 14.320 6.455 23 2HG2 ILE 15 HG22 ILE 15 -8.018 13.010 6.805 24 3HG2 ILE 15 HG23 ILE 15 -6.296 12.800 7.124 25 1HD1 ILE 15 HD11 ILE 15 -6.978 11.750 10.408 26 2HD1 ILE 15 HD12 ILE 15 -7.088 11.443 8.675 27 3HD1 ILE 15 HD13 ILE 15 -8.442 11.037 9.730 28 H SER 16 HN SER 16 -4.828 14.373 6.955 29 HA SER 16 HA SER 16 -3.451 16.869 7.456 30 1HB SER 16 HB2 SER 16 -2.887 16.378 4.877 31 2HB SER 16 HB1 SER 16 -2.038 15.580 6.201 32 HG SER 16 HG SER 16 -3.025 13.749 5.753 33 H THR 17 HN THR 17 -5.338 15.825 4.621 34 HA THR 17 HA THR 17 -7.140 18.047 4.812 35 HB THR 17 HB THR 17 -5.287 18.053 2.434 36 HG1 THR 17 HG1 THR 17 -5.122 19.692 4.741 37 1HG2 THR 17 HG21 THR 17 -7.212 20.087 3.527 38 2HG2 THR 17 HG22 THR 17 -7.327 19.214 1.999 39 3HG2 THR 17 HG23 THR 17 -6.046 20.401 2.241 40 H SER 18 HN SER 18 -5.697 15.800 2.450 41 HA SER 18 HA SER 18 -8.283 15.372 1.208 42 1HB SER 18 HB2 SER 18 -5.692 15.307 0.259 43 2HB SER 18 HB1 SER 18 -6.106 13.597 0.373 44 HG SER 18 HG SER 18 -7.305 15.623 -1.166 45 H ASP 19 HN ASP 19 -9.679 13.956 2.002 46 HA ASP 19 HA ASP 19 -8.680 11.401 3.030 47 1HB ASP 19 HB2 ASP 19 -10.447 11.568 4.860 48 2HB ASP 19 HB1 ASP 19 -9.020 12.581 5.055 49 H GLN 20 HN GLN 20 -9.454 10.951 0.769 50 HA GLN 20 HA GLN 20 -12.326 10.873 0.403 51 1HB GLN 20 HB2 GLN 20 -10.303 9.587 -1.413 52 2HB GLN 20 HB1 GLN 20 -11.898 10.210 -1.816 53 1HG GLN 20 HG2 GLN 20 -11.147 12.467 -1.560 54 2HG GLN 20 HG1 GLN 20 -9.587 11.925 -0.948 55 1HE2 GLN 20 HE21 GLN 20 -8.819 13.336 -2.702 56 2HE2 GLN 20 HE22 GLN 20 -8.660 12.664 -4.285 57 H GLU 21 HN GLU 21 -13.564 9.246 1.074 58 HA GLU 21 HA GLU 21 -14.226 7.206 1.843 59 1HB GLU 21 HB2 GLU 21 -12.019 6.090 0.116 60 2HB GLU 21 HB1 GLU 21 -13.490 5.275 0.627 61 1HG GLU 21 HG2 GLU 21 -14.832 6.693 -0.759 62 2HG GLU 21 HG1 GLU 21 -13.437 7.694 -1.159 63 H LYS 22 HN LYS 22 -13.019 4.904 2.563 64 HA LYS 22 HA LYS 22 -11.655 5.649 4.948 65 1HB LYS 22 HB2 LYS 22 -11.299 3.106 5.128 66 2HB LYS 22 HB1 LYS 22 -12.946 3.717 5.181 67 1HG LYS 22 HG2 LYS 22 -11.922 2.992 2.514 68 2HG LYS 22 HG1 LYS 22 -12.170 1.662 3.648 69 1HD LYS 22 HD2 LYS 22 -14.428 1.928 3.676 70 2HD LYS 22 HD1 LYS 22 -14.328 3.676 3.452 71 1HE LYS 22 HE2 LYS 22 -13.352 2.761 1.079 72 2HE LYS 22 HE1 LYS 22 -14.544 1.522 1.469 73 1HZ LYS 22 HZ1 LYS 22 -16.253 2.965 1.245 74 2HZ LYS 22 HZ2 LYS 22 -15.171 3.743 0.204 75 3HZ LYS 22 HZ3 LYS 22 -15.369 4.302 1.788 76 H LEU 23 HN LEU 23 -9.603 6.308 4.984 77 HA LEU 23 HA LEU 23 -7.716 5.052 3.110 78 1HB LEU 23 HB2 LEU 23 -6.932 7.566 4.448 79 2HB LEU 23 HB1 LEU 23 -6.620 7.018 2.814 80 HG LEU 23 HG LEU 23 -9.360 7.492 2.838 81 1HD1 LEU 23 HD11 LEU 23 -9.650 9.695 3.756 82 2HD1 LEU 23 HD12 LEU 23 -7.957 9.756 4.249 83 3HD1 LEU 23 HD13 LEU 23 -9.061 8.622 5.026 84 1HD2 LEU 23 HD21 LEU 23 -7.328 9.529 1.989 85 2HD2 LEU 23 HD22 LEU 23 -8.871 9.127 1.238 86 3HD2 LEU 23 HD23 LEU 23 -7.518 8.001 1.132 87 H VAL 24 HN VAL 24 -5.566 4.654 3.820 88 HA VAL 24 HA VAL 24 -5.380 4.207 6.725 89 HB VAL 24 HB VAL 24 -3.525 2.506 5.891 90 1HG1 VAL 24 HG11 VAL 24 -5.164 0.723 6.064 91 2HG1 VAL 24 HG12 VAL 24 -6.472 1.876 5.797 92 3HG1 VAL 24 HG13 VAL 24 -5.492 1.978 7.261 93 1HG2 VAL 24 HG21 VAL 24 -4.197 3.274 3.458 94 2HG2 VAL 24 HG22 VAL 24 -5.462 2.063 3.670 95 3HG2 VAL 24 HG23 VAL 24 -3.766 1.599 3.798 96 H GLN 25 HN GLN 25 -3.085 4.236 7.561 97 HA GLN 25 HA GLN 25 -1.584 6.354 6.169 98 1HB GLN 25 HB2 GLN 25 -2.638 6.831 8.454 99 2HB GLN 25 HB1 GLN 25 -1.406 5.765 9.112 100 1HG GLN 25 HG2 GLN 25 -0.426 7.818 9.369 101 2HG GLN 25 HG1 GLN 25 0.239 7.303 7.820 102 1HE2 GLN 25 HE21 GLN 25 0.260 8.832 6.352 103 2HE2 GLN 25 HE22 GLN 25 -0.878 10.123 6.200 104 HA PRO 26 HA PRO 26 1.270 2.786 5.813 105 1HB PRO 26 HB2 PRO 26 2.539 4.668 3.913 106 2HB PRO 26 HB1 PRO 26 2.056 2.987 3.673 107 1HG PRO 26 HG2 PRO 26 0.678 4.984 2.559 108 2HG PRO 26 HG1 PRO 26 -0.147 3.553 3.206 109 1HD PRO 26 HD2 PRO 26 0.152 6.279 4.416 110 2HD PRO 26 HD1 PRO 26 -1.269 5.213 4.380 111 H THR 27 HN THR 27 2.886 2.563 7.236 112 HA THR 27 HA THR 27 4.007 4.546 8.776 113 HB THR 27 HB THR 27 5.699 2.964 9.411 114 HG1 THR 27 HG1 THR 27 6.579 2.090 7.686 115 1HG2 THR 27 HG21 THR 27 3.058 2.326 9.542 116 2HG2 THR 27 HG22 THR 27 4.364 1.430 10.317 117 3HG2 THR 27 HG23 THR 27 3.742 0.906 8.753 118 HA PRO 28 HA PRO 28 6.953 6.999 6.619 119 1HB PRO 28 HB2 PRO 28 9.065 5.741 8.327 120 2HB PRO 28 HB1 PRO 28 8.778 7.449 7.971 121 1HG PRO 28 HG2 PRO 28 8.035 6.402 10.306 122 2HG PRO 28 HG1 PRO 28 7.028 7.608 9.483 123 1HD PRO 28 HD2 PRO 28 6.615 4.681 9.777 124 2HD PRO 28 HD1 PRO 28 5.419 5.983 9.626 125 H LEU 29 HN LEU 29 7.882 3.637 7.212 126 HA LEU 29 HA LEU 29 9.802 3.495 5.120 127 1HB LEU 29 HB2 LEU 29 9.793 1.931 7.004 128 2HB LEU 29 HB1 LEU 29 8.241 1.303 6.488 129 HG LEU 29 HG LEU 29 9.180 0.251 4.584 130 1HD1 LEU 29 HD11 LEU 29 11.877 0.619 4.509 131 2HD1 LEU 29 HD12 LEU 29 11.308 2.228 4.952 132 3HD1 LEU 29 HD13 LEU 29 10.714 1.457 3.482 133 1HD2 LEU 29 HD21 LEU 29 10.715 -1.287 5.548 134 2HD2 LEU 29 HD22 LEU 29 9.601 -0.797 6.823 135 3HD2 LEU 29 HD23 LEU 29 11.224 -0.114 6.762 136 H LEU 30 HN LEU 30 6.518 2.107 5.361 137 HA LEU 30 HA LEU 30 6.293 1.284 2.710 138 1HB LEU 30 HB2 LEU 30 4.741 0.773 4.657 139 2HB LEU 30 HB1 LEU 30 4.009 2.340 4.369 140 HG LEU 30 HG LEU 30 3.290 1.654 2.159 141 1HD1 LEU 30 HD11 LEU 30 3.608 -0.972 1.815 142 2HD1 LEU 30 HD12 LEU 30 5.091 -0.627 2.705 143 3HD1 LEU 30 HD13 LEU 30 4.752 0.219 1.195 144 1HD2 LEU 30 HD21 LEU 30 1.492 0.501 2.890 145 2HD2 LEU 30 HD22 LEU 30 2.187 0.849 4.473 146 3HD2 LEU 30 HD23 LEU 30 2.469 -0.716 3.711 147 H LEU 31 HN LEU 31 5.742 4.393 4.214 148 HA LEU 31 HA LEU 31 4.407 5.771 2.229 149 1HB LEU 31 HB2 LEU 31 5.988 6.412 4.558 150 2HB LEU 31 HB1 LEU 31 6.295 7.568 3.277 151 HG LEU 31 HG LEU 31 3.612 6.912 4.489 152 1HD1 LEU 31 HD11 LEU 31 3.880 9.507 4.894 153 2HD1 LEU 31 HD12 LEU 31 5.593 9.094 4.844 154 3HD1 LEU 31 HD13 LEU 31 4.534 8.321 6.023 155 1HD2 LEU 31 HD21 LEU 31 4.080 7.709 1.897 156 2HD2 LEU 31 HD22 LEU 31 3.784 9.230 2.739 157 3HD2 LEU 31 HD23 LEU 31 2.582 7.941 2.798 158 H SER 32 HN SER 32 7.944 5.642 2.694 159 HA SER 32 HA SER 32 8.734 7.072 0.476 160 1HB SER 32 HB2 SER 32 10.078 5.812 2.423 161 2HB SER 32 HB1 SER 32 10.330 4.644 1.127 162 HG SER 32 HG SER 32 11.878 6.497 1.394 163 H LEU 33 HN LEU 33 7.962 3.596 0.651 164 HA LEU 33 HA LEU 33 8.678 2.926 -1.970 165 1HB LEU 33 HB2 LEU 33 6.221 1.666 -0.897 166 2HB LEU 33 HB1 LEU 33 7.613 0.931 -1.649 167 HG LEU 33 HG LEU 33 7.369 1.833 1.214 168 1HD1 LEU 33 HD11 LEU 33 6.447 -0.423 0.299 169 2HD1 LEU 33 HD12 LEU 33 7.386 -0.396 1.792 170 3HD1 LEU 33 HD13 LEU 33 8.146 -0.892 0.279 171 1HD2 LEU 33 HD21 LEU 33 9.567 2.414 0.720 172 2HD2 LEU 33 HD22 LEU 33 9.772 1.071 -0.405 173 3HD2 LEU 33 HD23 LEU 33 9.713 0.766 1.331 174 H LEU 34 HN LEU 34 5.625 4.149 -0.661 175 HA LEU 34 HA LEU 34 4.234 4.213 -3.132 176 1HB LEU 34 HB2 LEU 34 3.791 5.968 -0.709 177 2HB LEU 34 HB1 LEU 34 2.636 5.646 -1.985 178 HG LEU 34 HG LEU 34 3.707 3.472 -0.200 179 1HD1 LEU 34 HD11 LEU 34 1.222 3.839 0.717 180 2HD1 LEU 34 HD12 LEU 34 1.626 5.506 0.305 181 3HD1 LEU 34 HD13 LEU 34 2.637 4.607 1.436 182 1HD2 LEU 34 HD21 LEU 34 1.195 2.791 -1.005 183 2HD2 LEU 34 HD22 LEU 34 2.686 2.269 -1.791 184 3HD2 LEU 34 HD23 LEU 34 1.802 3.663 -2.413 185 H LYS 35 HN LYS 35 5.987 6.630 -1.251 186 HA LYS 35 HA LYS 35 5.675 8.884 -2.759 187 1HB LYS 35 HB2 LYS 35 8.063 7.839 -1.246 188 2HB LYS 35 HB1 LYS 35 8.065 9.427 -1.989 189 1HG LYS 35 HG2 LYS 35 6.319 8.428 0.239 190 2HG LYS 35 HG1 LYS 35 7.502 9.736 0.282 191 1HD LYS 35 HD2 LYS 35 6.043 10.901 -1.449 192 2HD LYS 35 HD1 LYS 35 4.816 9.691 -1.073 193 1HE LYS 35 HE2 LYS 35 4.431 11.707 0.220 194 2HE LYS 35 HE1 LYS 35 4.880 10.375 1.283 195 1HZ LYS 35 HZ1 LYS 35 7.061 11.249 1.511 196 2HZ LYS 35 HZ2 LYS 35 5.989 12.529 1.783 197 3HZ LYS 35 HZ3 LYS 35 6.805 12.410 0.306 198 H SER 36 HN SER 36 7.861 6.183 -3.345 199 HA SER 36 HA SER 36 8.948 7.428 -5.733 200 1HB SER 36 HB2 SER 36 9.815 5.408 -3.918 201 2HB SER 36 HB1 SER 36 9.720 4.685 -5.523 202 HG SER 36 HG SER 36 11.556 5.643 -5.843 203 H ALA 37 HN ALA 37 6.471 5.190 -4.851 204 HA ALA 37 HA ALA 37 6.245 3.920 -7.411 205 1HB ALA 37 HB1 ALA 37 4.170 2.964 -6.505 206 2HB ALA 37 HB2 ALA 37 4.320 4.002 -5.088 207 3HB ALA 37 HB3 ALA 37 5.531 2.760 -5.404 208 H GLY 38 HN GLY 38 5.538 7.014 -6.439 209 1HA GLY 38 HA2 GLY 38 4.659 8.527 -8.119 210 2HA GLY 38 HA1 GLY 38 3.510 7.273 -8.566 211 H ALA 39 HN ALA 39 4.332 8.242 -5.284 212 HA ALA 39 HA ALA 39 1.569 9.203 -4.967 213 1HB ALA 39 HB1 ALA 39 2.567 8.553 -2.430 214 2HB ALA 39 HB2 ALA 39 3.069 7.248 -3.499 215 3HB ALA 39 HB3 ALA 39 1.366 7.671 -3.374 216 H GLN 40 HN GLN 40 1.224 11.112 -3.666 217 HA GLN 40 HA GLN 40 3.682 12.646 -3.134 218 1HB GLN 40 HB2 GLN 40 2.181 13.474 -5.002 219 2HB GLN 40 HB1 GLN 40 0.975 13.817 -3.769 220 1HG GLN 40 HG2 GLN 40 3.568 14.937 -3.113 221 2HG GLN 40 HG1 GLN 40 2.950 15.522 -4.658 222 1HE2 GLN 40 HE21 GLN 40 2.763 15.753 -1.285 223 2HE2 GLN 40 HE22 GLN 40 1.429 16.847 -1.189 224 H LYS 41 HN LYS 41 0.263 12.410 -2.141 225 HA LYS 41 HA LYS 41 0.536 13.794 0.276 226 1HB LYS 41 HB2 LYS 41 -1.571 12.589 0.935 227 2HB LYS 41 HB1 LYS 41 -1.653 13.445 -0.597 228 1HG LYS 41 HG2 LYS 41 -0.822 10.646 -0.814 229 2HG LYS 41 HG1 LYS 41 -2.456 10.887 -0.198 230 1HD LYS 41 HD2 LYS 41 -2.567 12.591 -2.228 231 2HD LYS 41 HD1 LYS 41 -1.315 11.523 -2.867 232 1HE LYS 41 HE2 LYS 41 -3.120 9.712 -1.985 233 2HE LYS 41 HE1 LYS 41 -4.187 11.038 -2.442 234 1HZ LYS 41 HZ1 LYS 41 -3.941 9.705 -4.344 235 2HZ LYS 41 HZ2 LYS 41 -2.265 9.578 -4.156 236 3HZ LYS 41 HZ3 LYS 41 -2.953 11.051 -4.620 237 H GLU 42 HN GLU 42 -0.173 12.517 2.410 238 HA GLU 42 HA GLU 42 1.959 10.550 2.841 239 1HB GLU 42 HB2 GLU 42 1.632 11.054 5.250 240 2HB GLU 42 HB1 GLU 42 2.079 12.467 4.302 241 1HG GLU 42 HG2 GLU 42 -0.059 13.384 4.437 242 2HG GLU 42 HG1 GLU 42 -0.787 11.849 4.907 243 H THR 43 HN THR 43 -1.500 10.965 2.951 244 HA THR 43 HA THR 43 -1.781 8.212 3.964 245 HB THR 43 HB THR 43 -4.185 9.923 3.840 246 HG1 THR 43 HG1 THR 43 -3.610 11.222 5.493 247 1HG2 THR 43 HG21 THR 43 -4.410 7.809 4.892 248 2HG2 THR 43 HG22 THR 43 -4.478 9.043 6.151 249 3HG2 THR 43 HG23 THR 43 -3.004 8.103 5.916 250 H PHE 44 HN PHE 44 -2.926 6.717 2.810 251 HA PHE 44 HA PHE 44 -4.191 7.571 0.305 252 1HB PHE 44 HB2 PHE 44 -2.283 5.236 0.464 253 2HB PHE 44 HB1 PHE 44 -3.066 5.869 -0.977 254 HD1 PHE 44 HD1 PHE 44 -0.650 6.756 1.692 255 HD2 PHE 44 HD2 PHE 44 -2.007 7.467 -2.279 256 HE1 PHE 44 HE1 PHE 44 1.307 8.192 1.284 257 HE2 PHE 44 HE2 PHE 44 -0.053 8.909 -2.688 258 HZ PHE 44 HZ PHE 44 1.602 9.275 -0.904 259 H THR 45 HN THR 45 -5.802 6.172 -0.478 260 HA THR 45 HA THR 45 -7.080 4.584 1.549 261 HB THR 45 HB THR 45 -8.704 4.105 -0.398 262 HG1 THR 45 HG1 THR 45 -8.363 5.084 -2.242 263 1HG2 THR 45 HG21 THR 45 -8.647 6.151 1.376 264 2HG2 THR 45 HG22 THR 45 -9.945 5.857 0.218 265 3HG2 THR 45 HG23 THR 45 -8.670 7.017 -0.160 266 H MET 46 HN MET 46 -7.519 2.345 1.423 267 HA MET 46 HA MET 46 -5.466 0.673 0.891 268 1HB MET 46 HB2 MET 46 -8.141 0.377 1.646 269 2HB MET 46 HB1 MET 46 -7.932 -0.697 0.268 270 1HG MET 46 HG2 MET 46 -7.411 -2.023 2.101 271 2HG MET 46 HG1 MET 46 -5.844 -1.527 1.463 272 1HE MET 46 HE1 MET 46 -4.113 -0.429 2.605 273 2HE MET 46 HE2 MET 46 -4.322 -1.847 3.636 274 3HE MET 46 HE3 MET 46 -4.065 -0.260 4.362 275 H LYS 47 HN LYS 47 -7.728 1.924 -1.458 276 HA LYS 47 HA LYS 47 -7.078 0.081 -3.531 277 1HB LYS 47 HB2 LYS 47 -9.076 1.817 -3.248 278 2HB LYS 47 HB1 LYS 47 -7.997 2.837 -4.188 279 1HG LYS 47 HG2 LYS 47 -9.555 1.703 -5.638 280 2HG LYS 47 HG1 LYS 47 -7.915 1.122 -5.936 281 1HD LYS 47 HD2 LYS 47 -9.511 -0.362 -3.935 282 2HD LYS 47 HD1 LYS 47 -10.011 -0.513 -5.618 283 1HE LYS 47 HE2 LYS 47 -7.252 -0.771 -5.694 284 2HE LYS 47 HE1 LYS 47 -7.735 -1.660 -4.250 285 1HZ LYS 47 HZ1 LYS 47 -8.487 -2.147 -7.058 286 2HZ LYS 47 HZ2 LYS 47 -9.484 -2.694 -5.806 287 3HZ LYS 47 HZ3 LYS 47 -7.885 -3.236 -5.911 288 H GLU 48 HN GLU 48 -6.091 3.447 -2.891 289 HA GLU 48 HA GLU 48 -4.230 3.594 -5.013 290 1HB GLU 48 HB2 GLU 48 -4.122 5.156 -2.437 291 2HB GLU 48 HB1 GLU 48 -3.447 5.618 -3.991 292 1HG GLU 48 HG2 GLU 48 -6.280 5.120 -4.193 293 2HG GLU 48 HG1 GLU 48 -5.925 6.326 -2.956 294 H VAL 49 HN VAL 49 -3.841 2.909 -1.549 295 HA VAL 49 HA VAL 49 -1.085 2.636 -1.437 296 HB VAL 49 HB VAL 49 -3.027 0.867 0.056 297 1HG1 VAL 49 HG11 VAL 49 -1.283 0.858 1.780 298 2HG1 VAL 49 HG12 VAL 49 -0.252 1.834 0.734 299 3HG1 VAL 49 HG13 VAL 49 -0.699 0.197 0.253 300 1HG2 VAL 49 HG21 VAL 49 -3.642 2.552 1.409 301 2HG2 VAL 49 HG22 VAL 49 -3.158 3.583 0.062 302 3HG2 VAL 49 HG23 VAL 49 -2.038 3.286 1.391 303 H LEU 50 HN LEU 50 -3.375 -0.078 -1.665 304 HA LEU 50 HA LEU 50 -1.527 -2.041 -2.333 305 1HB LEU 50 HB2 LEU 50 -4.205 -1.967 -1.857 306 2HB LEU 50 HB1 LEU 50 -4.185 -2.311 -3.576 307 HG LEU 50 HG LEU 50 -2.774 -3.936 -1.461 308 1HD1 LEU 50 HD11 LEU 50 -4.947 -4.508 -1.070 309 2HD1 LEU 50 HD12 LEU 50 -4.581 -5.619 -2.389 310 3HD1 LEU 50 HD13 LEU 50 -5.460 -4.125 -2.713 311 1HD2 LEU 50 HD21 LEU 50 -2.418 -5.553 -3.248 312 2HD2 LEU 50 HD22 LEU 50 -1.655 -4.010 -3.629 313 3HD2 LEU 50 HD23 LEU 50 -3.176 -4.457 -4.403 314 H TYR 51 HN TYR 51 -2.881 0.467 -4.281 315 HA TYR 51 HA TYR 51 -2.403 -0.769 -6.813 316 1HB TYR 51 HB2 TYR 51 -4.094 0.958 -6.624 317 2HB TYR 51 HB1 TYR 51 -2.895 2.124 -6.080 318 HD1 TYR 51 HD1 TYR 51 -4.163 0.240 -8.971 319 HD2 TYR 51 HD2 TYR 51 -1.426 3.216 -7.645 320 HE1 TYR 51 HE1 TYR 51 -3.775 0.914 -11.304 321 HE2 TYR 51 HE2 TYR 51 -1.031 3.899 -9.974 322 HH TYR 51 HH TYR 51 -1.914 2.059 -12.605 323 H HIS 52 HN HIS 52 -0.770 1.993 -5.190 324 HA HIS 52 HA HIS 52 1.311 2.260 -6.993 325 1HB HIS 52 HB2 HIS 52 1.789 2.612 -4.045 326 2HB HIS 52 HB1 HIS 52 2.465 3.520 -5.386 327 HD1 HIS 52 HD1 HIS 52 0.364 4.799 -6.823 328 HD2 HIS 52 HD2 HIS 52 -0.067 4.088 -2.752 329 HE1 HIS 52 HE1 HIS 52 -1.385 6.426 -6.038 330 HE2 HIS 52 HE2 HIS 52 -1.560 6.039 -3.555 331 H LEU 53 HN LEU 53 1.061 0.086 -4.200 332 HA LEU 53 HA LEU 53 3.568 -0.951 -4.061 333 1HB LEU 53 HB2 LEU 53 0.968 -1.669 -3.202 334 2HB LEU 53 HB1 LEU 53 1.702 -3.106 -3.889 335 HG LEU 53 HG LEU 53 3.534 -2.982 -2.378 336 1HD1 LEU 53 HD11 LEU 53 4.225 -0.903 -1.918 337 2HD1 LEU 53 HD12 LEU 53 3.160 -1.073 -0.521 338 3HD1 LEU 53 HD13 LEU 53 2.591 -0.239 -1.967 339 1HD2 LEU 53 HD21 LEU 53 0.784 -2.894 -1.329 340 2HD2 LEU 53 HD22 LEU 53 2.077 -2.739 -0.139 341 3HD2 LEU 53 HD23 LEU 53 2.011 -4.153 -1.191 342 H GLY 54 HN GLY 54 0.970 -1.982 -6.269 343 1HA GLY 54 HA2 GLY 54 2.349 -4.045 -7.558 344 2HA GLY 54 HA1 GLY 54 1.070 -3.080 -8.289 345 H GLN 55 HN GLN 55 2.372 -0.569 -8.077 346 HA GLN 55 HA GLN 55 4.080 -0.734 -10.397 347 1HB GLN 55 HB2 GLN 55 3.196 1.615 -8.711 348 2HB GLN 55 HB1 GLN 55 4.157 1.754 -10.178 349 1HG GLN 55 HG2 GLN 55 2.226 0.475 -11.301 350 2HG GLN 55 HG1 GLN 55 1.301 0.924 -9.869 351 1HE2 GLN 55 HE21 GLN 55 3.143 2.186 -12.582 352 2HE2 GLN 55 HE22 GLN 55 2.368 3.730 -12.630 353 H TYR 56 HN TYR 56 4.431 -0.372 -6.960 354 HA TYR 56 HA TYR 56 7.061 0.672 -6.906 355 1HB TYR 56 HB2 TYR 56 5.740 0.851 -4.920 356 2HB TYR 56 HB1 TYR 56 5.434 -0.881 -4.890 357 HD1 TYR 56 HD1 TYR 56 8.137 1.642 -4.518 358 HD2 TYR 56 HD2 TYR 56 6.825 -2.312 -3.672 359 HE1 TYR 56 HE1 TYR 56 10.088 1.318 -3.059 360 HE2 TYR 56 HE2 TYR 56 8.766 -2.646 -2.198 361 HH TYR 56 HH TYR 56 10.336 -1.175 -0.856 362 H ILE 57 HN ILE 57 5.813 -2.646 -6.568 363 HA ILE 57 HA ILE 57 8.283 -3.930 -6.304 364 HB ILE 57 HB ILE 57 5.783 -5.054 -7.574 365 1HG1 ILE 57 HG12 ILE 57 6.683 -5.041 -4.684 366 2HG1 ILE 57 HG11 ILE 57 5.331 -4.131 -5.349 367 1HG2 ILE 57 HG21 ILE 57 6.784 -7.046 -7.658 368 2HG2 ILE 57 HG22 ILE 57 7.467 -6.864 -6.043 369 3HG2 ILE 57 HG23 ILE 57 8.300 -6.173 -7.435 370 1HD1 ILE 57 HD11 ILE 57 4.021 -6.015 -5.597 371 2HD1 ILE 57 HD12 ILE 57 4.881 -6.331 -4.090 372 3HD1 ILE 57 HD13 ILE 57 5.408 -7.105 -5.584 373 H MET 58 HN MET 58 6.273 -3.554 -9.236 374 HA MET 58 HA MET 58 8.106 -4.696 -11.016 375 1HB MET 58 HB2 MET 58 6.830 -3.636 -12.784 376 2HB MET 58 HB1 MET 58 5.734 -4.258 -11.558 377 1HG MET 58 HG2 MET 58 5.507 -2.010 -10.627 378 2HG MET 58 HG1 MET 58 6.590 -1.391 -11.872 379 1HE MET 58 HE1 MET 58 4.514 -2.036 -15.132 380 2HE MET 58 HE2 MET 58 5.524 -3.277 -14.391 381 3HE MET 58 HE3 MET 58 6.083 -1.606 -14.451 382 H ALA 59 HN ALA 59 7.853 -1.459 -9.708 383 HA ALA 59 HA ALA 59 9.710 -0.252 -11.507 384 1HB ALA 59 HB1 ALA 59 8.789 0.632 -8.772 385 2HB ALA 59 HB2 ALA 59 8.075 1.095 -10.317 386 3HB ALA 59 HB3 ALA 59 9.709 1.617 -9.909 387 H LYS 60 HN LYS 60 9.984 -1.129 -8.055 388 HA LYS 60 HA LYS 60 12.771 -0.746 -7.912 389 1HB LYS 60 HB2 LYS 60 10.713 -2.083 -6.220 390 2HB LYS 60 HB1 LYS 60 12.403 -2.443 -5.901 391 1HG LYS 60 HG2 LYS 60 11.447 -0.616 -4.514 392 2HG LYS 60 HG1 LYS 60 12.884 -0.161 -5.430 393 1HD LYS 60 HD2 LYS 60 11.262 0.725 -7.193 394 2HD LYS 60 HD1 LYS 60 10.015 0.565 -5.957 395 1HE LYS 60 HE2 LYS 60 11.051 2.843 -6.141 396 2HE LYS 60 HE1 LYS 60 11.113 2.120 -4.534 397 1HZ LYS 60 HZ1 LYS 60 13.380 1.810 -6.392 398 2HZ LYS 60 HZ2 LYS 60 13.370 1.738 -4.702 399 3HZ LYS 60 HZ3 LYS 60 13.211 3.228 -5.485 400 H GLN 61 HN GLN 61 10.836 -3.322 -9.132 401 HA GLN 61 HA GLN 61 11.366 -5.221 -10.256 402 1HB GLN 61 HB2 GLN 61 13.237 -3.802 -11.169 403 2HB GLN 61 HB1 GLN 61 14.269 -4.472 -9.912 404 1HG GLN 61 HG2 GLN 61 14.750 -6.143 -11.274 405 2HG GLN 61 HG1 GLN 61 13.073 -6.672 -11.153 406 1HE2 GLN 61 HE21 GLN 61 11.877 -4.510 -12.492 407 2HE2 GLN 61 HE22 GLN 61 12.309 -4.603 -14.162 408 H LEU 62 HN LEU 62 10.570 -5.904 -7.990 409 HA LEU 62 HA LEU 62 12.648 -7.435 -6.590 410 1HB LEU 62 HB2 LEU 62 9.835 -6.944 -5.641 411 2HB LEU 62 HB1 LEU 62 11.201 -7.512 -4.701 412 HG LEU 62 HG LEU 62 10.788 -4.732 -5.795 413 1HD1 LEU 62 HD11 LEU 62 10.746 -4.093 -3.454 414 2HD1 LEU 62 HD12 LEU 62 10.990 -5.773 -2.974 415 3HD1 LEU 62 HD13 LEU 62 9.499 -5.296 -3.787 416 1HD2 LEU 62 HD21 LEU 62 12.907 -4.119 -5.029 417 2HD2 LEU 62 HD22 LEU 62 13.184 -5.655 -5.849 418 3HD2 LEU 62 HD23 LEU 62 13.097 -5.598 -4.089 419 H TYR 63 HN TYR 63 10.305 -7.846 -8.918 420 HA TYR 63 HA TYR 63 9.329 -10.424 -8.098 421 1HB TYR 63 HB2 TYR 63 8.258 -10.468 -10.317 422 2HB TYR 63 HB1 TYR 63 7.928 -8.963 -9.464 423 HD1 TYR 63 HD1 TYR 63 10.173 -10.439 -12.043 424 HD2 TYR 63 HD2 TYR 63 8.366 -6.915 -10.489 425 HE1 TYR 63 HE1 TYR 63 11.023 -9.162 -13.966 426 HE2 TYR 63 HE2 TYR 63 9.213 -5.627 -12.405 427 HH TYR 63 HH TYR 63 11.527 -6.902 -14.599 428 H ASP 64 HN ASP 64 9.716 -12.407 -9.223 429 HA ASP 64 HA ASP 64 12.493 -12.697 -9.998 430 1HB ASP 64 HB2 ASP 64 11.446 -14.315 -8.453 431 2HB ASP 64 HB1 ASP 64 10.321 -14.786 -9.722 432 H GLU 65 HN GLU 65 13.241 -13.439 -11.973 433 HA GLU 65 HA GLU 65 11.818 -12.633 -14.264 434 1HB GLU 65 HB2 GLU 65 14.430 -13.414 -13.686 435 2HB GLU 65 HB1 GLU 65 13.862 -14.630 -14.821 436 1HG GLU 65 HG2 GLU 65 13.296 -11.817 -15.511 437 2HG GLU 65 HG1 GLU 65 14.983 -12.325 -15.568 438 H LYS 66 HN LYS 66 12.672 -15.932 -13.179 439 HA LYS 66 HA LYS 66 11.239 -17.338 -15.099 440 1HB LYS 66 HB2 LYS 66 11.577 -18.179 -12.215 441 2HB LYS 66 HB1 LYS 66 11.325 -19.230 -13.601 442 1HG LYS 66 HG2 LYS 66 13.547 -19.475 -13.524 443 2HG LYS 66 HG1 LYS 66 13.570 -17.920 -14.358 444 1HD LYS 66 HD2 LYS 66 13.372 -17.173 -11.729 445 2HD LYS 66 HD1 LYS 66 14.392 -18.610 -11.636 446 1HE LYS 66 HE2 LYS 66 15.777 -17.573 -13.488 447 2HE LYS 66 HE1 LYS 66 14.871 -16.087 -13.204 448 1HZ LYS 66 HZ1 LYS 66 16.577 -17.519 -11.240 449 2HZ LYS 66 HZ2 LYS 66 15.626 -16.169 -10.877 450 3HZ LYS 66 HZ3 LYS 66 16.908 -16.029 -11.970 451 H GLN 67 HN GLN 67 10.169 -16.814 -11.737 452 HA GLN 67 HA GLN 67 7.395 -17.060 -12.622 453 1HB GLN 67 HB2 GLN 67 8.423 -16.860 -9.791 454 2HB GLN 67 HB1 GLN 67 6.845 -17.414 -10.322 455 1HG GLN 67 HG2 GLN 67 7.626 -19.461 -10.984 456 2HG GLN 67 HG1 GLN 67 9.267 -18.877 -11.236 457 1HE2 GLN 67 HE21 GLN 67 7.238 -20.571 -9.205 458 2HE2 GLN 67 HE22 GLN 67 8.239 -20.610 -7.797 459 H GLN 68 HN GLN 68 6.207 -15.285 -12.931 460 HA GLN 68 HA GLN 68 7.264 -12.705 -12.169 461 1HB GLN 68 HB2 GLN 68 5.106 -13.691 -13.946 462 2HB GLN 68 HB1 GLN 68 4.887 -12.088 -13.256 463 1HG GLN 68 HG2 GLN 68 5.984 -11.518 -15.153 464 2HG GLN 68 HG1 GLN 68 7.374 -11.781 -14.099 465 1HE2 GLN 68 HE21 GLN 68 8.922 -12.677 -15.248 466 2HE2 GLN 68 HE22 GLN 68 8.743 -13.999 -16.345 467 H HIS 69 HN HIS 69 5.041 -14.973 -10.888 468 HA HIS 69 HA HIS 69 3.654 -12.972 -9.290 469 1HB HIS 69 HB2 HIS 69 2.163 -14.713 -8.632 470 2HB HIS 69 HB1 HIS 69 2.449 -14.915 -10.356 471 HD1 HIS 69 HD1 HIS 69 4.297 -16.829 -10.954 472 HD2 HIS 69 HD2 HIS 69 2.612 -16.953 -7.158 473 HE1 HIS 69 HE1 HIS 69 4.752 -19.147 -10.092 474 HE2 HIS 69 HE2 HIS 69 3.646 -19.226 -7.829 475 H ILE 70 HN ILE 70 6.590 -14.014 -9.031 476 HA ILE 70 HA ILE 70 6.457 -14.534 -6.133 477 HB ILE 70 HB ILE 70 8.677 -15.339 -8.015 478 1HG1 ILE 70 HG12 ILE 70 6.728 -16.677 -8.494 479 2HG1 ILE 70 HG11 ILE 70 7.869 -17.655 -7.581 480 1HG2 ILE 70 HG21 ILE 70 9.892 -15.893 -6.233 481 2HG2 ILE 70 HG22 ILE 70 8.526 -16.688 -5.450 482 3HG2 ILE 70 HG23 ILE 70 8.748 -14.947 -5.280 483 1HD1 ILE 70 HD11 ILE 70 5.435 -16.297 -6.456 484 2HD1 ILE 70 HD12 ILE 70 6.569 -17.308 -5.559 485 3HD1 ILE 70 HD13 ILE 70 5.583 -18.012 -6.842 486 H VAL 71 HN VAL 71 7.556 -13.227 -4.796 487 HA VAL 71 HA VAL 71 9.327 -11.197 -5.990 488 HB VAL 71 HB VAL 71 7.440 -10.685 -3.691 489 1HG1 VAL 71 HG11 VAL 71 8.288 -8.593 -3.558 490 2HG1 VAL 71 HG12 VAL 71 8.612 -8.494 -5.288 491 3HG1 VAL 71 HG13 VAL 71 9.717 -9.376 -4.233 492 1HG2 VAL 71 HG21 VAL 71 5.894 -10.757 -5.355 493 2HG2 VAL 71 HG22 VAL 71 7.080 -10.432 -6.622 494 3HG2 VAL 71 HG23 VAL 71 6.475 -9.113 -5.619 495 H HIS 72 HN HIS 72 11.287 -11.978 -5.350 496 HA HIS 72 HA HIS 72 11.678 -12.250 -2.446 497 1HB HIS 72 HB2 HIS 72 13.241 -14.064 -2.793 498 2HB HIS 72 HB1 HIS 72 11.710 -14.470 -3.561 499 HD1 HIS 72 HD1 HIS 72 11.770 -13.657 -6.292 500 HD2 HIS 72 HD2 HIS 72 15.318 -14.679 -4.386 501 HE1 HIS 72 HE1 HIS 72 13.390 -14.208 -8.135 502 HE2 HIS 72 HE2 HIS 72 15.557 -14.723 -6.960 503 H CYS 73 HN CYS 73 12.597 -10.314 -2.047 504 HA CYS 73 HA CYS 73 15.177 -9.796 -3.354 505 1HB CYS 73 HB2 CYS 73 12.865 -8.190 -3.601 506 2HB CYS 73 HB1 CYS 73 13.956 -7.326 -2.521 507 HG CYS 73 HG CYS 73 14.228 -7.311 -5.423 508 H SER 74 HN SER 74 16.543 -10.346 -1.737 509 HA SER 74 HA SER 74 16.010 -10.048 1.000 510 1HB SER 74 HB2 SER 74 17.736 -11.582 0.229 511 2HB SER 74 HB1 SER 74 18.671 -10.240 -0.430 512 HG SER 74 HG SER 74 19.315 -9.704 1.530 513 H ASN 75 HN ASN 75 17.878 -7.945 -1.190 514 HA ASN 75 HA ASN 75 17.930 -5.975 0.980 515 1HB ASN 75 HB2 ASN 75 19.517 -6.407 -1.498 516 2HB ASN 75 HB1 ASN 75 19.265 -4.736 -1.000 517 1HD2 ASN 75 HD21 ASN 75 19.847 -7.766 0.755 518 2HD2 ASN 75 HD22 ASN 75 21.206 -7.184 1.649 519 H ASP 76 HN ASP 76 15.840 -5.301 1.008 520 HA ASP 76 HA ASP 76 15.131 -3.342 -0.973 521 1HB ASP 76 HB2 ASP 76 14.345 -5.434 -2.048 522 2HB ASP 76 HB1 ASP 76 13.322 -5.745 -0.649 523 HA PRO 77 HA PRO 77 13.380 -1.473 2.629 524 1HB PRO 77 HB2 PRO 77 11.347 -0.278 0.858 525 2HB PRO 77 HB1 PRO 77 12.538 0.502 1.894 526 1HG PRO 77 HG2 PRO 77 12.732 0.443 -0.808 527 2HG PRO 77 HG1 PRO 77 14.126 0.552 0.277 528 1HD PRO 77 HD2 PRO 77 13.157 -1.733 -1.325 529 2HD PRO 77 HD1 PRO 77 14.785 -1.362 -0.735 530 H LEU 78 HN LEU 78 11.440 -3.214 0.296 531 HA LEU 78 HA LEU 78 9.091 -3.376 1.917 532 1HB LEU 78 HB2 LEU 78 9.408 -3.692 -0.666 533 2HB LEU 78 HB1 LEU 78 9.736 -5.357 -0.229 534 HG LEU 78 HG LEU 78 7.527 -5.532 0.816 535 1HD1 LEU 78 HD11 LEU 78 5.893 -3.668 0.350 536 2HD1 LEU 78 HD12 LEU 78 7.287 -2.658 -0.031 537 3HD1 LEU 78 HD13 LEU 78 7.106 -3.338 1.586 538 1HD2 LEU 78 HD21 LEU 78 6.189 -5.044 -1.362 539 2HD2 LEU 78 HD22 LEU 78 7.442 -6.284 -1.362 540 3HD2 LEU 78 HD23 LEU 78 7.779 -4.691 -2.038 541 H GLY 79 HN GLY 79 11.732 -5.626 1.132 542 1HA GLY 79 HA2 GLY 79 10.841 -7.810 2.628 543 2HA GLY 79 HA1 GLY 79 12.523 -7.474 2.241 544 H GLU 80 HN GLU 80 12.567 -4.922 3.628 545 HA GLU 80 HA GLU 80 13.130 -5.922 6.262 546 1HB GLU 80 HB2 GLU 80 14.243 -3.920 6.644 547 2HB GLU 80 HB1 GLU 80 14.413 -4.112 4.907 548 1HG GLU 80 HG2 GLU 80 13.646 -2.046 4.720 549 2HG GLU 80 HG1 GLU 80 12.067 -2.680 5.179 550 H LEU 81 HN LEU 81 10.525 -4.265 4.711 551 HA LEU 81 HA LEU 81 9.330 -3.266 7.130 552 1HB LEU 81 HB2 LEU 81 8.997 -2.142 4.976 553 2HB LEU 81 HB1 LEU 81 8.201 -3.571 4.346 554 HG LEU 81 HG LEU 81 6.414 -3.278 6.049 555 1HD1 LEU 81 HD11 LEU 81 7.565 -0.553 6.546 556 2HD1 LEU 81 HD12 LEU 81 7.938 -1.929 7.583 557 3HD1 LEU 81 HD13 LEU 81 6.271 -1.380 7.412 558 1HD2 LEU 81 HD21 LEU 81 7.013 -1.293 3.921 559 2HD2 LEU 81 HD22 LEU 81 5.651 -0.978 4.996 560 3HD2 LEU 81 HD23 LEU 81 5.697 -2.461 4.042 561 H PHE 82 HN PHE 82 8.247 -5.676 4.728 562 HA PHE 82 HA PHE 82 6.238 -6.765 6.386 563 1HB PHE 82 HB2 PHE 82 7.659 -7.937 3.986 564 2HB PHE 82 HB1 PHE 82 6.261 -8.675 4.760 565 HD1 PHE 82 HD1 PHE 82 4.641 -6.247 5.326 566 HD2 PHE 82 HD2 PHE 82 6.852 -7.387 1.874 567 HE1 PHE 82 HE1 PHE 82 3.147 -4.885 3.925 568 HE2 PHE 82 HE2 PHE 82 5.361 -6.027 0.466 569 HZ PHE 82 HZ PHE 82 3.506 -4.774 1.491 570 H GLY 83 HN GLY 83 9.651 -7.361 6.129 571 1HA GLY 83 HA2 GLY 83 10.993 -8.472 7.670 572 2HA GLY 83 HA1 GLY 83 9.542 -9.050 8.476 573 H VAL 84 HN VAL 84 10.429 -9.424 5.070 574 HA VAL 84 HA VAL 84 10.995 -12.254 5.493 575 HB VAL 84 HB VAL 84 9.445 -12.971 3.729 576 1HG1 VAL 84 HG11 VAL 84 7.357 -12.724 5.006 577 2HG1 VAL 84 HG12 VAL 84 8.124 -11.478 5.991 578 3HG1 VAL 84 HG13 VAL 84 8.727 -13.134 6.038 579 1HG2 VAL 84 HG21 VAL 84 7.552 -11.162 3.320 580 2HG2 VAL 84 HG22 VAL 84 8.990 -11.251 2.302 581 3HG2 VAL 84 HG23 VAL 84 8.897 -10.055 3.595 582 H GLN 85 HN GLN 85 12.015 -13.277 3.676 583 HA GLN 85 HA GLN 85 13.526 -11.370 2.063 584 1HB GLN 85 HB2 GLN 85 14.838 -12.987 3.295 585 2HB GLN 85 HB1 GLN 85 13.919 -14.317 2.604 586 1HG GLN 85 HG2 GLN 85 14.807 -13.829 0.408 587 2HG GLN 85 HG1 GLN 85 15.675 -12.434 1.048 588 1HE2 GLN 85 HE21 GLN 85 17.495 -12.757 2.325 589 2HE2 GLN 85 HE22 GLN 85 18.320 -14.273 2.385 590 H GLU 86 HN GLU 86 11.143 -13.889 1.776 591 HA GLU 86 HA GLU 86 10.717 -13.184 -1.002 592 1HB GLU 86 HB2 GLU 86 10.823 -15.517 -1.789 593 2HB GLU 86 HB1 GLU 86 12.382 -14.944 -1.213 594 1HG GLU 86 HG2 GLU 86 11.692 -16.050 1.020 595 2HG GLU 86 HG1 GLU 86 10.519 -16.919 0.031 596 H PHE 87 HN PHE 87 8.644 -13.621 -1.720 597 HA PHE 87 HA PHE 87 6.838 -15.266 -0.217 598 1HB PHE 87 HB2 PHE 87 5.314 -13.522 0.503 599 2HB PHE 87 HB1 PHE 87 6.910 -13.213 1.178 600 HD1 PHE 87 HD1 PHE 87 4.296 -12.008 -1.013 601 HD2 PHE 87 HD2 PHE 87 8.312 -11.404 0.257 602 HE1 PHE 87 HE1 PHE 87 4.253 -9.742 -1.971 603 HE2 PHE 87 HE2 PHE 87 8.277 -9.136 -0.696 604 HZ PHE 87 HZ PHE 87 6.246 -8.302 -1.811 605 H SER 88 HN SER 88 4.958 -15.734 -1.338 606 HA SER 88 HA SER 88 4.966 -14.892 -4.136 607 1HB SER 88 HB2 SER 88 3.020 -16.911 -3.121 608 2HB SER 88 HB1 SER 88 3.912 -16.873 -4.642 609 HG SER 88 HG SER 88 5.812 -17.360 -3.353 610 H VAL 89 HN VAL 89 3.371 -13.710 -5.063 611 HA VAL 89 HA VAL 89 1.597 -12.276 -3.332 612 HB VAL 89 HB VAL 89 0.719 -11.327 -5.544 613 1HG1 VAL 89 HG11 VAL 89 3.536 -11.019 -4.558 614 2HG1 VAL 89 HG12 VAL 89 2.140 -9.984 -4.262 615 3HG1 VAL 89 HG13 VAL 89 2.889 -10.020 -5.859 616 1HG2 VAL 89 HG21 VAL 89 1.815 -11.759 -7.533 617 2HG2 VAL 89 HG22 VAL 89 1.749 -13.360 -6.793 618 3HG2 VAL 89 HG23 VAL 89 3.238 -12.418 -6.726 619 H LYS 90 HN LYS 90 1.354 -15.306 -4.658 620 HA LYS 90 HA LYS 90 -1.222 -15.463 -5.688 621 1HB LYS 90 HB2 LYS 90 0.471 -17.291 -5.725 622 2HB LYS 90 HB1 LYS 90 0.173 -17.557 -4.013 623 1HG LYS 90 HG2 LYS 90 -2.019 -18.321 -4.407 624 2HG LYS 90 HG1 LYS 90 -2.007 -17.727 -6.069 625 1HD LYS 90 HD2 LYS 90 -1.687 -20.036 -6.279 626 2HD LYS 90 HD1 LYS 90 -0.065 -19.358 -6.437 627 1HE LYS 90 HE2 LYS 90 0.343 -21.051 -4.952 628 2HE LYS 90 HE1 LYS 90 -0.009 -19.732 -3.837 629 1HZ LYS 90 HZ1 LYS 90 -2.250 -21.379 -4.735 630 2HZ LYS 90 HZ2 LYS 90 -1.984 -20.641 -3.237 631 3HZ LYS 90 HZ3 LYS 90 -1.170 -22.070 -3.631 632 H GLU 91 HN GLU 91 -0.111 -15.341 -2.367 633 HA GLU 91 HA GLU 91 -2.789 -15.824 -1.332 634 1HB GLU 91 HB2 GLU 91 -0.097 -15.424 -0.046 635 2HB GLU 91 HB1 GLU 91 -1.578 -15.404 0.901 636 1HG GLU 91 HG2 GLU 91 -1.262 -17.704 -0.902 637 2HG GLU 91 HG1 GLU 91 -0.106 -17.608 0.426 638 H HIS 92 HN HIS 92 -3.743 -13.937 -2.313 639 HA HIS 92 HA HIS 92 -2.920 -11.306 -1.880 640 1HB HIS 92 HB2 HIS 92 -5.597 -12.549 -2.458 641 2HB HIS 92 HB1 HIS 92 -5.442 -10.814 -2.205 642 HD1 HIS 92 HD1 HIS 92 -6.417 -11.563 -4.890 643 HD2 HIS 92 HD2 HIS 92 -2.358 -11.385 -4.016 644 HE1 HIS 92 HE1 HIS 92 -5.265 -11.260 -7.105 645 HE2 HIS 92 HE2 HIS 92 -2.819 -11.056 -6.540 646 H ARG 93 HN ARG 93 -4.683 -13.512 0.174 647 HA ARG 93 HA ARG 93 -5.701 -11.601 1.997 648 1HB ARG 93 HB2 ARG 93 -6.505 -13.959 1.780 649 2HB ARG 93 HB1 ARG 93 -5.017 -14.492 2.551 650 1HG ARG 93 HG2 ARG 93 -5.617 -13.178 4.549 651 2HG ARG 93 HG1 ARG 93 -7.141 -12.743 3.773 652 1HD ARG 93 HD2 ARG 93 -7.583 -14.572 5.231 653 2HD ARG 93 HD1 ARG 93 -7.638 -15.189 3.581 654 HE ARG 93 HE ARG 93 -5.064 -15.478 4.811 655 1HH1 ARG 93 HH11 ARG 93 -8.225 -16.914 4.463 656 2HH1 ARG 93 HH12 ARG 93 -7.673 -18.517 4.815 657 1HH2 ARG 93 HH21 ARG 93 -4.336 -17.585 5.275 658 2HH2 ARG 93 HH22 ARG 93 -5.465 -18.898 5.277 659 H ARG 94 HN ARG 94 -2.620 -13.212 1.684 660 HA ARG 94 HA ARG 94 -1.653 -12.624 4.291 661 1HB ARG 94 HB2 ARG 94 -0.787 -14.238 2.323 662 2HB ARG 94 HB1 ARG 94 0.280 -12.867 2.055 663 1HG ARG 94 HG2 ARG 94 1.393 -13.167 4.020 664 2HG ARG 94 HG1 ARG 94 0.001 -13.894 4.826 665 1HD ARG 94 HD2 ARG 94 0.309 -15.905 3.385 666 2HD ARG 94 HD1 ARG 94 1.793 -15.178 2.770 667 HE ARG 94 HE ARG 94 1.796 -15.308 5.611 668 1HH1 ARG 94 HH11 ARG 94 2.261 -17.239 2.741 669 2HH1 ARG 94 HH12 ARG 94 3.306 -18.375 3.524 670 1HH2 ARG 94 HH21 ARG 94 3.170 -16.802 6.642 671 2HH2 ARG 94 HH22 ARG 94 3.822 -18.128 5.739 672 H ILE 95 HN ILE 95 -1.117 -11.086 1.127 673 HA ILE 95 HA ILE 95 0.568 -9.033 1.966 674 HB ILE 95 HB ILE 95 -1.489 -8.856 -0.237 675 1HG1 ILE 95 HG12 ILE 95 1.333 -9.946 -0.225 676 2HG1 ILE 95 HG11 ILE 95 -0.146 -10.838 -0.567 677 1HG2 ILE 95 HG21 ILE 95 -0.504 -6.706 0.384 678 2HG2 ILE 95 HG22 ILE 95 0.032 -7.218 -1.216 679 3HG2 ILE 95 HG23 ILE 95 1.111 -7.381 0.170 680 1HD1 ILE 95 HD11 ILE 95 0.149 -10.414 -2.710 681 2HD1 ILE 95 HD12 ILE 95 1.547 -9.400 -2.348 682 3HD1 ILE 95 HD13 ILE 95 -0.069 -8.696 -2.377 683 H TYR 96 HN TYR 96 -2.968 -8.877 1.467 684 HA TYR 96 HA TYR 96 -3.433 -6.305 2.323 685 1HB TYR 96 HB2 TYR 96 -5.070 -8.121 1.424 686 2HB TYR 96 HB1 TYR 96 -5.302 -8.517 3.124 687 HD1 TYR 96 HD1 TYR 96 -6.698 -7.199 4.496 688 HD2 TYR 96 HD2 TYR 96 -5.609 -5.790 0.632 689 HE1 TYR 96 HE1 TYR 96 -8.353 -5.392 4.696 690 HE2 TYR 96 HE2 TYR 96 -7.261 -3.977 0.822 691 HH TYR 96 HH TYR 96 -9.624 -3.897 3.310 692 H ALA 97 HN ALA 97 -3.169 -9.235 4.303 693 HA ALA 97 HA ALA 97 -3.688 -7.934 6.778 694 1HB ALA 97 HB1 ALA 97 -2.321 -10.115 7.546 695 2HB ALA 97 HB2 ALA 97 -2.777 -10.608 5.915 696 3HB ALA 97 HB3 ALA 97 -4.021 -10.152 7.079 697 H MET 98 HN MET 98 -0.756 -8.771 5.002 698 HA MET 98 HA MET 98 1.118 -8.047 6.965 699 1HB MET 98 HB2 MET 98 1.319 -8.044 3.947 700 2HB MET 98 HB1 MET 98 2.686 -7.766 5.013 701 1HG MET 98 HG2 MET 98 2.817 -9.937 5.654 702 2HG MET 98 HG1 MET 98 1.086 -10.213 5.467 703 1HE MET 98 HE1 MET 98 3.271 -9.017 1.882 704 2HE MET 98 HE2 MET 98 4.451 -10.119 2.591 705 3HE MET 98 HE3 MET 98 3.843 -8.755 3.529 706 H ILE 99 HN ILE 99 0.114 -6.185 4.092 707 HA ILE 99 HA ILE 99 1.359 -3.791 4.781 708 HB ILE 99 HB ILE 99 -0.374 -2.705 3.301 709 1HG1 ILE 99 HG12 ILE 99 -1.427 -4.938 1.999 710 2HG1 ILE 99 HG11 ILE 99 -1.621 -5.301 3.711 711 1HG2 ILE 99 HG21 ILE 99 0.869 -5.107 1.999 712 2HG2 ILE 99 HG22 ILE 99 1.836 -3.752 2.583 713 3HG2 ILE 99 HG23 ILE 99 0.621 -3.494 1.331 714 1HD1 ILE 99 HD11 ILE 99 -3.556 -4.195 3.382 715 2HD1 ILE 99 HD12 ILE 99 -2.911 -3.235 2.049 716 3HD1 ILE 99 HD13 ILE 99 -2.529 -2.801 3.715 717 H SER 100 HN SER 100 -1.589 -5.209 5.943 718 HA SER 100 HA SER 100 -2.854 -2.899 6.930 719 1HB SER 100 HB2 SER 100 -3.977 -5.099 6.703 720 2HB SER 100 HB1 SER 100 -3.001 -5.713 8.038 721 HG SER 100 HG SER 100 -4.950 -5.042 8.872 722 H ARG 101 HN ARG 101 -0.559 -5.148 8.418 723 HA ARG 101 HA ARG 101 -0.542 -3.896 10.962 724 1HB ARG 101 HB2 ARG 101 1.641 -5.572 9.714 725 2HB ARG 101 HB1 ARG 101 1.403 -5.261 11.428 726 1HG ARG 101 HG2 ARG 101 -0.627 -6.538 11.438 727 2HG ARG 101 HG1 ARG 101 -0.561 -6.730 9.685 728 1HD ARG 101 HD2 ARG 101 0.203 -8.745 10.864 729 2HD ARG 101 HD1 ARG 101 1.477 -8.030 9.876 730 HE ARG 101 HE ARG 101 1.507 -7.163 12.618 731 1HH1 ARG 101 HH11 ARG 101 2.585 -9.612 10.377 732 2HH1 ARG 101 HH12 ARG 101 3.941 -10.080 11.346 733 1HH2 ARG 101 HH21 ARG 101 3.291 -7.777 13.894 734 2HH2 ARG 101 HH22 ARG 101 4.342 -9.039 13.343 735 H ASN 102 HN ASN 102 0.838 -3.033 7.962 736 HA ASN 102 HA ASN 102 2.939 -1.411 9.168 737 1HB ASN 102 HB2 ASN 102 2.199 -1.788 6.260 738 2HB ASN 102 HB1 ASN 102 3.623 -0.944 6.861 739 1HD2 ASN 102 HD21 ASN 102 3.927 -2.974 5.105 740 2HD2 ASN 102 HD22 ASN 102 4.623 -4.345 5.890 741 H LEU 103 HN LEU 103 0.130 -0.748 9.657 742 HA LEU 103 HA LEU 103 0.062 1.913 8.392 743 1HB LEU 103 HB2 LEU 103 -2.374 0.532 9.470 744 2HB LEU 103 HB1 LEU 103 -2.285 1.877 8.349 745 HG LEU 103 HG LEU 103 -1.328 -0.885 7.626 746 1HD1 LEU 103 HD11 LEU 103 -3.537 -1.377 7.984 747 2HD1 LEU 103 HD12 LEU 103 -3.599 -0.806 6.316 748 3HD1 LEU 103 HD13 LEU 103 -4.074 0.266 7.634 749 1HD2 LEU 103 HD21 LEU 103 -1.724 1.699 6.216 750 2HD2 LEU 103 HD22 LEU 103 -2.061 0.211 5.331 751 3HD2 LEU 103 HD23 LEU 103 -0.461 0.484 6.021 752 H VAL 104 HN VAL 104 0.825 3.301 9.866 753 HA VAL 104 HA VAL 104 0.874 2.976 12.615 754 HB VAL 104 HB VAL 104 0.909 5.592 12.634 755 1HG1 VAL 104 HG11 VAL 104 2.823 3.973 12.866 756 2HG1 VAL 104 HG12 VAL 104 3.237 5.553 12.200 757 3HG1 VAL 104 HG13 VAL 104 3.085 4.158 11.131 758 1HG2 VAL 104 HG21 VAL 104 0.256 5.139 9.926 759 2HG2 VAL 104 HG22 VAL 104 1.919 5.718 9.958 760 3HG2 VAL 104 HG23 VAL 104 0.640 6.671 10.708 761 H SER 105 HN SER 105 -1.322 5.259 10.954 762 HA SER 105 HA SER 105 -3.247 4.834 13.131 763 1HB SER 105 HB2 SER 105 -2.495 7.200 11.499 764 2HB SER 105 HB1 SER 105 -4.200 7.041 11.922 765 HG SER 105 HG SER 105 -2.901 8.212 13.474 766 H ALA 106 HN ALA 106 -5.428 4.472 12.653 767 HA ALA 106 HA ALA 106 -5.940 3.588 9.886 768 1HB ALA 106 HB1 ALA 106 -7.050 1.766 10.644 769 2HB ALA 106 HB2 ALA 106 -7.671 2.598 12.069 770 3HB ALA 106 HB3 ALA 106 -6.009 2.010 12.046 771 H ASN 107 HN ASN 107 -7.074 5.107 8.852 772 HA ASN 107 HA ASN 107 -8.733 7.009 10.144 773 1HB ASN 107 HB2 ASN 107 -7.543 6.957 7.744 774 2HB ASN 107 HB1 ASN 107 -9.153 6.433 7.258 775 1HD2 ASN 107 HD21 ASN 107 -7.269 9.034 7.458 776 2HD2 ASN 107 HD22 ASN 107 -8.452 10.268 7.705 777 H VAL 108 HN VAL 108 -10.453 6.262 11.251 778 HA VAL 108 HA VAL 108 -12.013 4.049 10.509 779 HB VAL 108 HB VAL 108 -13.737 5.311 12.115 780 1HG1 VAL 108 HG11 VAL 108 -11.176 4.014 13.007 781 2HG1 VAL 108 HG12 VAL 108 -12.650 3.177 12.506 782 3HG1 VAL 108 HG13 VAL 108 -12.649 4.168 13.969 783 1HG2 VAL 108 HG21 VAL 108 -12.829 6.864 13.566 784 2HG2 VAL 108 HG22 VAL 108 -12.104 7.337 12.029 785 3HG2 VAL 108 HG23 VAL 108 -11.169 6.399 13.194 786 H LYS 109 HN LYS 109 -14.163 3.941 9.777 787 HA LYS 109 HA LYS 109 -14.757 5.869 7.712 788 1HB LYS 109 HB2 LYS 109 -15.277 3.148 8.112 789 2HB LYS 109 HB1 LYS 109 -16.853 3.923 8.177 790 1HG LYS 109 HG2 LYS 109 -14.865 4.268 5.943 791 2HG LYS 109 HG1 LYS 109 -16.230 3.150 5.920 792 1HD LYS 109 HD2 LYS 109 -17.798 4.947 6.023 793 2HD LYS 109 HD1 LYS 109 -16.518 6.120 6.337 794 1HE LYS 109 HE2 LYS 109 -16.743 6.489 4.113 795 2HE LYS 109 HE1 LYS 109 -15.621 5.132 4.025 796 1HZ LYS 109 HZ1 LYS 109 -18.422 5.268 3.287 797 2HZ LYS 109 HZ2 LYS 109 -17.956 3.853 4.087 798 3HZ LYS 109 HZ3 LYS 109 -17.180 4.309 2.655 799 H GLU 110 HN GLU 110 -16.053 7.571 7.902 800 HA GLU 110 HA GLU 110 -18.249 7.526 9.822 801 1HB GLU 110 HB2 GLU 110 -17.622 9.775 10.681 802 2HB GLU 110 HB1 GLU 110 -16.474 8.517 11.117 803 1HG GLU 110 HG2 GLU 110 -15.841 9.909 8.624 804 2HG GLU 110 HG1 GLU 110 -15.828 10.934 10.058 805 H SER 111 HN SER 111 -19.923 8.991 9.358 806 HA SER 111 HA SER 111 -19.738 10.259 6.703 807 1HB SER 111 HB2 SER 111 -22.404 9.453 7.745 808 2HB SER 111 HB1 SER 111 -21.789 9.444 6.092 809 HG SER 111 HG SER 111 -22.103 7.331 7.059 810 H SER 112 HN SER 112 -19.501 12.374 7.088 811 HA SER 112 HA SER 112 -21.203 13.622 9.139 812 1HB SER 112 HB2 SER 112 -18.458 14.184 8.142 813 2HB SER 112 HB1 SER 112 -19.445 15.573 8.595 814 HG SER 112 HG SER 112 -19.566 14.833 10.648 815 H GLU 113 HN GLU 113 -22.459 15.397 8.648 816 HA GLU 113 HA GLU 113 -22.931 15.823 5.785 817 1HB GLU 113 HB2 GLU 113 -24.686 16.665 8.093 818 2HB GLU 113 HB1 GLU 113 -25.115 16.627 6.388 819 1HG GLU 113 HG2 GLU 113 -24.387 14.044 6.824 820 2HG GLU 113 HG1 GLU 113 -25.096 14.485 8.377 821 H ASP 114 HN ASP 114 -23.438 18.017 5.056 822 HA ASP 114 HA ASP 114 -21.808 20.004 6.491 823 1HB ASP 114 HB2 ASP 114 -21.442 19.160 3.956 824 2HB ASP 114 HB1 ASP 114 -22.559 20.490 3.664 825 H ILE 115 HN ILE 115 -22.539 22.215 6.486 826 HA ILE 115 HA ILE 115 -25.456 22.441 6.376 827 HB ILE 115 HB ILE 115 -23.580 24.181 7.976 828 1HG1 ILE 115 HG12 ILE 115 -25.274 21.886 8.983 829 2HG1 ILE 115 HG11 ILE 115 -23.537 21.787 8.713 830 1HG2 ILE 115 HG21 ILE 115 -26.095 24.730 7.213 831 2HG2 ILE 115 HG22 ILE 115 -25.397 25.286 8.733 832 3HG2 ILE 115 HG23 ILE 115 -26.418 23.849 8.706 833 1HD1 ILE 115 HD11 ILE 115 -23.072 22.818 10.633 834 2HD1 ILE 115 HD12 ILE 115 -24.740 22.443 11.065 835 3HD1 ILE 115 HD13 ILE 115 -24.335 24.026 10.402 836 H PHE 116 HN PHE 116 -25.860 23.229 4.444 837 HA PHE 116 HA PHE 116 -24.317 25.510 3.436 838 1HB PHE 116 HB2 PHE 116 -25.665 23.245 2.184 839 2HB PHE 116 HB1 PHE 116 -26.088 24.779 1.431 840 HD1 PHE 116 HD1 PHE 116 -23.847 22.124 1.361 841 HD2 PHE 116 HD2 PHE 116 -23.987 26.363 1.008 842 HE1 PHE 116 HE1 PHE 116 -21.729 22.086 0.109 843 HE2 PHE 116 HE2 PHE 116 -21.870 26.332 -0.245 844 HZ PHE 116 HZ PHE 116 -20.738 24.192 -0.696 845 H GLY 117 HN GLY 117 -27.492 24.544 4.500 846 1HA GLY 117 HA2 GLY 117 -29.287 25.847 5.130 847 2HA GLY 117 HA1 GLY 117 -28.303 27.268 4.814 848 H ASN 118 HN ASN 118 -28.831 24.827 2.380 849 HA ASN 118 HA ASN 118 -30.416 26.782 0.858 850 1HB ASN 118 HB2 ASN 118 -28.426 24.698 0.074 851 2HB ASN 118 HB1 ASN 118 -29.707 25.103 -1.065 852 1HD2 ASN 118 HD21 ASN 118 -28.664 26.224 -2.578 853 2HD2 ASN 118 HD22 ASN 118 -27.740 27.656 -2.294 854 H VAL 119 HN VAL 119 -32.383 26.252 0.031 855 HA VAL 119 HA VAL 119 -33.376 23.528 0.559 856 HB VAL 119 HB VAL 119 -35.627 24.560 0.958 857 1HG1 VAL 119 HG11 VAL 119 -35.258 24.864 3.235 858 2HG1 VAL 119 HG12 VAL 119 -33.671 25.591 2.980 859 3HG1 VAL 119 HG13 VAL 119 -33.898 23.859 2.734 860 1HG2 VAL 119 HG21 VAL 119 -35.809 26.896 1.467 861 2HG2 VAL 119 HG22 VAL 119 -35.078 26.734 -0.130 862 3HG2 VAL 119 HG23 VAL 119 -34.072 27.124 1.264 863 H30 IMY 120 1H30 IMY 120 0.880 -13.659 -12.675 864 1H30 IMY 120 2H30 IMY 120 1.182 -14.436 -11.071 865 2H30 IMY 120 3H30 IMY 120 2.281 -14.712 -12.429 866 H26 IMY 120 H26 IMY 120 -0.076 -12.695 -10.476 867 H25 IMY 120 H25 IMY 120 -0.992 -10.693 -9.462 868 H31 IMY 120 H31 IMY 120 4.520 -8.549 -11.417 869 1H32 IMY 120 1H32 IMY 120 4.625 -6.740 -8.916 870 2H32 IMY 120 2H32 IMY 120 5.926 -6.964 -10.095 871 3H32 IMY 120 3H32 IMY 120 4.440 -6.105 -10.540 872 1H33 IMY 120 1H33 IMY 120 4.310 -10.351 -9.789 873 2H33 IMY 120 2H33 IMY 120 5.811 -9.455 -9.505 874 3H33 IMY 120 3H33 IMY 120 4.398 -9.223 -8.445 875 H28 IMY 120 H28 IMY 120 3.561 -10.645 -11.396 876 H4 IMY 120 H4 IMY 120 -2.144 -7.039 -8.416 877 H3 IMY 120 H3 IMY 120 -0.502 -5.389 -8.171 878 H18 IMY 120 H18 IMY 120 1.999 -8.036 -7.070 879 H17 IMY 120 H17 IMY 120 3.279 -7.880 -5.004 880 H15 IMY 120 H15 IMY 120 1.166 -4.369 -3.857 881 H14 IMY 120 H14 IMY 120 -0.190 -4.478 -5.913 882 H20 IMY 120 H20 IMY 120 -3.608 -6.074 -6.745 883 H21 IMY 120 H21 IMY 120 -4.725 -6.347 -4.590 884 H23 IMY 120 H23 IMY 120 -1.783 -9.245 -3.399 885 H24 IMY 120 H24 IMY 120 -0.733 -9.105 -5.593 Start of MODEL 14 1 1H ASN 13 HT1 ASN 13 -4.349 19.738 1.405 2 2H ASN 13 HT2 ASN 13 -4.318 18.315 0.447 3 3H ASN 13 HT3 ASN 13 -3.224 18.495 1.757 4 HA ASN 13 HA ASN 13 -5.192 17.019 2.097 5 1HB ASN 13 HB2 ASN 13 -4.110 19.192 3.806 6 2HB ASN 13 HB1 ASN 13 -5.567 18.391 4.389 7 1HD2 ASN 13 HD21 ASN 13 -2.192 18.136 3.854 8 2HD2 ASN 13 HD22 ASN 13 -1.976 16.565 4.540 9 H HIS 14 HN HIS 14 -6.156 19.040 0.187 10 HA HIS 14 HA HIS 14 -8.628 19.931 1.497 11 1HB HIS 14 HB2 HIS 14 -6.998 20.943 -0.749 12 2HB HIS 14 HB1 HIS 14 -8.740 21.043 -0.981 13 HD1 HIS 14 HD1 HIS 14 -7.148 21.521 2.389 14 HD2 HIS 14 HD2 HIS 14 -8.858 23.794 -0.640 15 HE1 HIS 14 HE1 HIS 14 -7.425 23.827 3.353 16 HE2 HIS 14 HE2 HIS 14 -8.541 25.162 1.531 17 H ILE 15 HN ILE 15 -10.662 19.596 0.442 18 HA ILE 15 HA ILE 15 -10.671 17.358 -1.471 19 HB ILE 15 HB ILE 15 -12.938 16.777 -0.291 20 1HG1 ILE 15 HG12 ILE 15 -11.589 17.527 2.228 21 2HG1 ILE 15 HG11 ILE 15 -12.263 18.870 1.313 22 1HG2 ILE 15 HG21 ILE 15 -11.359 15.502 1.480 23 2HG2 ILE 15 HG22 ILE 15 -10.158 16.004 0.290 24 3HG2 ILE 15 HG23 ILE 15 -11.533 15.020 -0.208 25 1HD1 ILE 15 HD11 ILE 15 -14.200 16.806 1.383 26 2HD1 ILE 15 HD12 ILE 15 -14.263 18.408 2.119 27 3HD1 ILE 15 HD13 ILE 15 -13.590 17.049 3.019 28 H SER 16 HN SER 16 -12.473 20.105 -0.144 29 HA SER 16 HA SER 16 -14.179 21.390 -1.020 30 1HB SER 16 HB2 SER 16 -12.004 21.691 -2.554 31 2HB SER 16 HB1 SER 16 -13.096 21.028 -3.769 32 HG SER 16 HG SER 16 -14.603 22.711 -3.026 33 H THR 17 HN THR 17 -15.989 20.117 -0.749 34 HA THR 17 HA THR 17 -17.853 18.976 -1.380 35 HB THR 17 HB THR 17 -17.210 18.944 -4.263 36 HG1 THR 17 HG1 THR 17 -17.622 21.412 -2.936 37 1HG2 THR 17 HG21 THR 17 -19.531 19.175 -2.592 38 2HG2 THR 17 HG22 THR 17 -19.414 18.812 -4.314 39 3HG2 THR 17 HG23 THR 17 -19.473 20.488 -3.768 40 H SER 18 HN SER 18 -18.317 17.136 -3.425 41 HA SER 18 HA SER 18 -17.267 14.790 -2.382 42 1HB SER 18 HB2 SER 18 -18.497 15.429 -5.057 43 2HB SER 18 HB1 SER 18 -17.967 13.797 -4.651 44 HG SER 18 HG SER 18 -20.032 15.334 -3.527 45 H ASP 19 HN ASP 19 -15.176 14.298 -2.263 46 HA ASP 19 HA ASP 19 -13.249 15.218 -4.166 47 1HB ASP 19 HB2 ASP 19 -13.076 14.473 -1.575 48 2HB ASP 19 HB1 ASP 19 -12.521 12.993 -2.352 49 H GLN 20 HN GLN 20 -11.542 13.251 -4.706 50 HA GLN 20 HA GLN 20 -13.132 11.338 -6.280 51 1HB GLN 20 HB2 GLN 20 -12.042 12.669 -7.856 52 2HB GLN 20 HB1 GLN 20 -10.595 12.823 -6.872 53 1HG GLN 20 HG2 GLN 20 -10.015 10.508 -7.339 54 2HG GLN 20 HG1 GLN 20 -11.479 10.329 -8.307 55 1HE2 GLN 20 HE21 GLN 20 -11.231 10.566 -10.404 56 2HE2 GLN 20 HE22 GLN 20 -9.974 11.452 -11.191 57 H GLU 21 HN GLU 21 -12.973 9.289 -5.675 58 HA GLU 21 HA GLU 21 -12.247 7.369 -4.694 59 1HB GLU 21 HB2 GLU 21 -9.473 8.422 -5.252 60 2HB GLU 21 HB1 GLU 21 -9.954 6.742 -5.058 61 1HG GLU 21 HG2 GLU 21 -11.349 6.971 -7.102 62 2HG GLU 21 HG1 GLU 21 -10.678 8.587 -7.320 63 H LYS 22 HN LYS 22 -10.744 6.470 -2.922 64 HA LYS 22 HA LYS 22 -10.732 8.416 -0.722 65 1HB LYS 22 HB2 LYS 22 -10.573 6.269 0.691 66 2HB LYS 22 HB1 LYS 22 -12.105 6.629 -0.092 67 1HG LYS 22 HG2 LYS 22 -10.166 4.918 -1.549 68 2HG LYS 22 HG1 LYS 22 -11.026 4.225 -0.173 69 1HD LYS 22 HD2 LYS 22 -13.116 4.525 -1.179 70 2HD LYS 22 HD1 LYS 22 -12.488 5.697 -2.339 71 1HE LYS 22 HE2 LYS 22 -11.170 3.115 -2.544 72 2HE LYS 22 HE1 LYS 22 -12.912 2.999 -2.787 73 1HZ LYS 22 HZ1 LYS 22 -11.180 3.635 -4.711 74 2HZ LYS 22 HZ2 LYS 22 -11.606 5.182 -4.176 75 3HZ LYS 22 HZ3 LYS 22 -12.803 4.116 -4.715 76 H LEU 23 HN LEU 23 -8.820 9.249 -0.239 77 HA LEU 23 HA LEU 23 -6.380 7.865 -0.992 78 1HB LEU 23 HB2 LEU 23 -6.467 10.474 0.479 79 2HB LEU 23 HB1 LEU 23 -5.258 9.884 -0.645 80 HG LEU 23 HG LEU 23 -7.969 10.332 -1.755 81 1HD1 LEU 23 HD11 LEU 23 -6.233 12.512 -0.664 82 2HD1 LEU 23 HD12 LEU 23 -7.981 12.310 -0.545 83 3HD1 LEU 23 HD13 LEU 23 -7.251 12.788 -2.078 84 1HD2 LEU 23 HD21 LEU 23 -6.851 10.465 -3.696 85 2HD2 LEU 23 HD22 LEU 23 -5.526 9.732 -2.792 86 3HD2 LEU 23 HD23 LEU 23 -5.583 11.481 -3.011 87 H VAL 24 HN VAL 24 -5.261 6.613 0.340 88 HA VAL 24 HA VAL 24 -5.853 6.729 3.210 89 HB VAL 24 HB VAL 24 -4.524 4.545 3.250 90 1HG1 VAL 24 HG11 VAL 24 -6.464 3.236 2.474 91 2HG1 VAL 24 HG12 VAL 24 -7.129 4.694 1.739 92 3HG1 VAL 24 HG13 VAL 24 -6.930 4.602 3.489 93 1HG2 VAL 24 HG21 VAL 24 -3.475 4.879 1.025 94 2HG2 VAL 24 HG22 VAL 24 -5.057 4.642 0.283 95 3HG2 VAL 24 HG23 VAL 24 -4.301 3.329 1.185 96 H GLN 25 HN GLN 25 -3.940 6.276 4.677 97 HA GLN 25 HA GLN 25 -1.624 7.816 3.710 98 1HB GLN 25 HB2 GLN 25 -3.035 8.836 5.535 99 2HB GLN 25 HB1 GLN 25 -2.506 7.524 6.578 100 1HG GLN 25 HG2 GLN 25 -0.906 8.974 7.165 101 2HG GLN 25 HG1 GLN 25 -0.128 8.413 5.686 102 1HE2 GLN 25 HE21 GLN 25 0.913 10.217 5.071 103 2HE2 GLN 25 HE22 GLN 25 0.140 11.714 4.689 104 HA PRO 26 HA PRO 26 0.288 3.718 4.320 105 1HB PRO 26 HB2 PRO 26 2.531 5.092 2.975 106 2HB PRO 26 HB1 PRO 26 1.724 3.583 2.546 107 1HG PRO 26 HG2 PRO 26 1.367 5.801 1.098 108 2HG PRO 26 HG1 PRO 26 0.034 4.666 1.384 109 1HD PRO 26 HD2 PRO 26 0.612 7.285 2.723 110 2HD PRO 26 HD1 PRO 26 -0.941 6.624 2.168 111 H THR 27 HN THR 27 1.435 3.138 6.080 112 HA THR 27 HA THR 27 2.332 4.881 8.015 113 HB THR 27 HB THR 27 3.757 2.945 8.815 114 HG1 THR 27 HG1 THR 27 3.517 1.003 7.678 115 1HG2 THR 27 HG21 THR 27 0.951 3.140 8.718 116 2HG2 THR 27 HG22 THR 27 1.949 2.252 9.869 117 3HG2 THR 27 HG23 THR 27 1.371 1.456 8.405 118 HA PRO 28 HA PRO 28 6.132 6.823 6.956 119 1HB PRO 28 HB2 PRO 28 7.380 5.272 9.192 120 2HB PRO 28 HB1 PRO 28 7.486 6.998 8.827 121 1HG PRO 28 HG2 PRO 28 5.892 6.117 10.771 122 2HG PRO 28 HG1 PRO 28 5.394 7.452 9.717 123 1HD PRO 28 HD2 PRO 28 4.468 4.628 9.762 124 2HD PRO 28 HD1 PRO 28 3.593 6.099 9.292 125 H LEU 29 HN LEU 29 6.327 3.364 7.701 126 HA LEU 29 HA LEU 29 8.749 2.920 6.270 127 1HB LEU 29 HB2 LEU 29 7.922 1.424 8.055 128 2HB LEU 29 HB1 LEU 29 6.583 0.956 7.025 129 HG LEU 29 HG LEU 29 8.030 -0.176 5.503 130 1HD1 LEU 29 HD11 LEU 29 10.581 -0.165 6.466 131 2HD1 LEU 29 HD12 LEU 29 10.080 1.503 6.745 132 3HD1 LEU 29 HD13 LEU 29 10.000 0.817 5.122 133 1HD2 LEU 29 HD21 LEU 29 9.333 -1.018 8.020 134 2HD2 LEU 29 HD22 LEU 29 8.489 -1.974 6.802 135 3HD2 LEU 29 HD23 LEU 29 7.570 -1.046 7.988 136 H LEU 30 HN LEU 30 5.377 2.012 5.520 137 HA LEU 30 HA LEU 30 5.807 1.149 2.910 138 1HB LEU 30 HB2 LEU 30 3.715 0.805 4.168 139 2HB LEU 30 HB1 LEU 30 3.358 2.516 4.032 140 HG LEU 30 HG LEU 30 3.038 2.343 1.663 141 1HD1 LEU 30 HD11 LEU 30 3.319 0.259 0.443 142 2HD1 LEU 30 HD12 LEU 30 3.886 -0.540 1.910 143 3HD1 LEU 30 HD13 LEU 30 4.839 0.756 1.187 144 1HD2 LEU 30 HD21 LEU 30 1.120 1.735 2.997 145 2HD2 LEU 30 HD22 LEU 30 1.693 0.071 3.121 146 3HD2 LEU 30 HD23 LEU 30 1.183 0.715 1.560 147 H LEU 31 HN LEU 31 5.259 4.360 4.206 148 HA LEU 31 HA LEU 31 4.781 5.855 1.954 149 1HB LEU 31 HB2 LEU 31 5.794 6.326 4.626 150 2HB LEU 31 HB1 LEU 31 6.558 7.398 3.469 151 HG LEU 31 HG LEU 31 3.588 7.122 3.929 152 1HD1 LEU 31 HD11 LEU 31 4.270 8.357 5.729 153 2HD1 LEU 31 HD12 LEU 31 4.051 9.635 4.534 154 3HD1 LEU 31 HD13 LEU 31 5.667 9.023 4.885 155 1HD2 LEU 31 HD21 LEU 31 4.801 7.832 1.591 156 2HD2 LEU 31 HD22 LEU 31 4.601 9.393 2.388 157 3HD2 LEU 31 HD23 LEU 31 3.199 8.361 2.105 158 H SER 32 HN SER 32 8.028 5.531 3.402 159 HA SER 32 HA SER 32 9.539 6.651 1.430 160 1HB SER 32 HB2 SER 32 10.363 4.146 2.917 161 2HB SER 32 HB1 SER 32 11.418 5.400 2.264 162 HG SER 32 HG SER 32 10.177 5.298 4.650 163 H LEU 33 HN LEU 33 8.376 3.280 1.500 164 HA LEU 33 HA LEU 33 9.739 2.316 -0.723 165 1HB LEU 33 HB2 LEU 33 6.888 1.529 -0.461 166 2HB LEU 33 HB1 LEU 33 8.298 0.535 -0.734 167 HG LEU 33 HG LEU 33 7.358 1.670 1.893 168 1HD1 LEU 33 HD11 LEU 33 7.914 -1.198 1.257 169 2HD1 LEU 33 HD12 LEU 33 6.370 -0.464 0.827 170 3HD1 LEU 33 HD13 LEU 33 6.885 -0.511 2.513 171 1HD2 LEU 33 HD21 LEU 33 9.362 0.235 2.721 172 2HD2 LEU 33 HD22 LEU 33 9.645 1.876 2.143 173 3HD2 LEU 33 HD23 LEU 33 9.990 0.501 1.095 174 H LEU 34 HN LEU 34 6.923 4.368 -0.505 175 HA LEU 34 HA LEU 34 6.360 4.327 -3.329 176 1HB LEU 34 HB2 LEU 34 5.422 6.404 -1.357 177 2HB LEU 34 HB1 LEU 34 4.657 5.920 -2.856 178 HG LEU 34 HG LEU 34 4.880 4.161 -0.413 179 1HD1 LEU 34 HD11 LEU 34 2.599 4.650 0.038 180 2HD1 LEU 34 HD12 LEU 34 2.441 5.587 -1.448 181 3HD1 LEU 34 HD13 LEU 34 3.441 6.191 -0.127 182 1HD2 LEU 34 HD21 LEU 34 3.544 3.849 -3.084 183 2HD2 LEU 34 HD22 LEU 34 3.061 2.911 -1.671 184 3HD2 LEU 34 HD23 LEU 34 4.702 2.773 -2.303 185 H LYS 35 HN LYS 35 8.113 6.310 -1.046 186 HA LYS 35 HA LYS 35 8.589 8.583 -2.581 187 1HB LYS 35 HB2 LYS 35 10.006 7.231 -0.326 188 2HB LYS 35 HB1 LYS 35 10.834 8.526 -1.168 189 1HG LYS 35 HG2 LYS 35 9.583 9.189 0.900 190 2HG LYS 35 HG1 LYS 35 9.193 10.104 -0.553 191 1HD LYS 35 HD2 LYS 35 7.225 8.594 -0.879 192 2HD LYS 35 HD1 LYS 35 7.582 7.888 0.698 193 1HE LYS 35 HE2 LYS 35 7.079 10.823 0.246 194 2HE LYS 35 HE1 LYS 35 5.824 9.675 0.710 195 1HZ LYS 35 HZ1 LYS 35 6.721 10.835 2.629 196 2HZ LYS 35 HZ2 LYS 35 8.277 10.275 2.274 197 3HZ LYS 35 HZ3 LYS 35 7.067 9.181 2.721 198 H SER 36 HN SER 36 10.188 5.455 -2.553 199 HA SER 36 HA SER 36 12.143 6.337 -4.528 200 1HB SER 36 HB2 SER 36 12.158 4.404 -2.471 201 2HB SER 36 HB1 SER 36 12.251 3.507 -3.986 202 HG SER 36 HG SER 36 13.910 5.720 -3.361 203 H ALA 37 HN ALA 37 9.133 4.675 -4.348 204 HA ALA 37 HA ALA 37 9.422 3.296 -6.864 205 1HB ALA 37 HB1 ALA 37 7.028 3.710 -5.079 206 2HB ALA 37 HB2 ALA 37 8.057 2.281 -5.164 207 3HB ALA 37 HB3 ALA 37 7.035 2.714 -6.534 208 H GLY 38 HN GLY 38 9.067 6.483 -6.182 209 1HA GLY 38 HA2 GLY 38 8.824 8.063 -7.967 210 2HA GLY 38 HA1 GLY 38 7.706 6.953 -8.747 211 H ALA 39 HN ALA 39 7.689 7.918 -5.359 212 HA ALA 39 HA ALA 39 5.068 9.170 -5.820 213 1HB ALA 39 HB1 ALA 39 5.824 8.162 -3.125 214 2HB ALA 39 HB2 ALA 39 5.386 6.993 -4.371 215 3HB ALA 39 HB3 ALA 39 4.243 8.246 -3.899 216 H GLN 40 HN GLN 40 4.593 11.155 -4.687 217 HA GLN 40 HA GLN 40 6.970 12.463 -3.542 218 1HB GLN 40 HB2 GLN 40 4.671 13.674 -5.084 219 2HB GLN 40 HB1 GLN 40 5.934 14.604 -4.291 220 1HG GLN 40 HG2 GLN 40 6.749 12.510 -6.228 221 2HG GLN 40 HG1 GLN 40 6.043 13.999 -6.854 222 1HE2 GLN 40 HE21 GLN 40 8.748 12.976 -7.141 223 2HE2 GLN 40 HE22 GLN 40 9.795 14.185 -6.491 224 H LYS 41 HN LYS 41 3.432 12.949 -3.524 225 HA LYS 41 HA LYS 41 3.296 14.219 -1.056 226 1HB LYS 41 HB2 LYS 41 0.916 13.676 -1.066 227 2HB LYS 41 HB1 LYS 41 1.443 14.192 -2.661 228 1HG LYS 41 HG2 LYS 41 1.432 11.284 -2.070 229 2HG LYS 41 HG1 LYS 41 -0.115 12.096 -2.319 230 1HD LYS 41 HD2 LYS 41 1.252 13.089 -4.404 231 2HD LYS 41 HD1 LYS 41 2.069 11.534 -4.232 232 1HE LYS 41 HE2 LYS 41 -0.194 10.453 -4.243 233 2HE LYS 41 HE1 LYS 41 -0.872 12.026 -4.658 234 1HZ LYS 41 HZ1 LYS 41 0.893 10.295 -6.268 235 2HZ LYS 41 HZ2 LYS 41 0.797 11.955 -6.581 236 3HZ LYS 41 HZ3 LYS 41 -0.589 10.992 -6.695 237 H GLU 42 HN GLU 42 1.791 13.139 0.751 238 HA GLU 42 HA GLU 42 3.293 10.785 1.652 239 1HB GLU 42 HB2 GLU 42 1.515 12.573 3.311 240 2HB GLU 42 HB1 GLU 42 2.683 11.393 3.890 241 1HG GLU 42 HG2 GLU 42 3.502 13.765 2.250 242 2HG GLU 42 HG1 GLU 42 3.333 13.847 4.003 243 H THR 43 HN THR 43 0.133 11.830 0.713 244 HA THR 43 HA THR 43 -1.032 9.319 1.706 245 HB THR 43 HB THR 43 -2.857 11.300 0.538 246 HG1 THR 43 HG1 THR 43 -2.683 12.715 2.304 247 1HG2 THR 43 HG21 THR 43 -3.916 10.973 2.852 248 2HG2 THR 43 HG22 THR 43 -2.761 9.652 3.026 249 3HG2 THR 43 HG23 THR 43 -3.937 9.628 1.712 250 H PHE 44 HN PHE 44 -2.262 8.000 0.323 251 HA PHE 44 HA PHE 44 -2.379 8.606 -2.507 252 1HB PHE 44 HB2 PHE 44 -0.869 6.162 -1.566 253 2HB PHE 44 HB1 PHE 44 -1.149 6.647 -3.232 254 HD1 PHE 44 HD1 PHE 44 0.652 7.494 -0.131 255 HD2 PHE 44 HD2 PHE 44 0.249 8.213 -4.306 256 HE1 PHE 44 HE1 PHE 44 2.783 8.724 -0.122 257 HE2 PHE 44 HE2 PHE 44 2.376 9.451 -4.300 258 HZ PHE 44 HZ PHE 44 3.645 9.708 -2.207 259 H THR 45 HN THR 45 -3.886 7.364 -3.622 260 HA THR 45 HA THR 45 -5.855 6.045 -1.983 261 HB THR 45 HB THR 45 -7.111 5.784 -4.077 262 HG1 THR 45 HG1 THR 45 -6.232 6.308 -6.014 263 1HG2 THR 45 HG21 THR 45 -6.896 8.074 -2.878 264 2HG2 THR 45 HG22 THR 45 -7.639 7.980 -4.474 265 3HG2 THR 45 HG23 THR 45 -5.970 8.524 -4.309 266 H MET 46 HN MET 46 -6.567 3.839 -2.309 267 HA MET 46 HA MET 46 -4.596 1.937 -2.203 268 1HB MET 46 HB2 MET 46 -7.426 1.942 -2.260 269 2HB MET 46 HB1 MET 46 -6.889 0.729 -3.416 270 1HG MET 46 HG2 MET 46 -5.267 0.237 -1.280 271 2HG MET 46 HG1 MET 46 -6.766 0.735 -0.501 272 1HE MET 46 HE1 MET 46 -4.707 -1.582 -2.151 273 2HE MET 46 HE2 MET 46 -5.655 -2.940 -2.755 274 3HE MET 46 HE3 MET 46 -5.306 -2.807 -1.032 275 H LYS 47 HN LYS 47 -6.001 3.383 -5.036 276 HA LYS 47 HA LYS 47 -5.091 1.434 -6.903 277 1HB LYS 47 HB2 LYS 47 -6.836 3.476 -7.076 278 2HB LYS 47 HB1 LYS 47 -5.424 4.249 -7.779 279 1HG LYS 47 HG2 LYS 47 -6.792 3.288 -9.515 280 2HG LYS 47 HG1 LYS 47 -5.255 2.427 -9.416 281 1HD LYS 47 HD2 LYS 47 -7.165 0.900 -9.700 282 2HD LYS 47 HD1 LYS 47 -6.311 0.624 -8.181 283 1HE LYS 47 HE2 LYS 47 -8.008 1.869 -6.972 284 2HE LYS 47 HE1 LYS 47 -8.837 2.246 -8.482 285 1HZ LYS 47 HZ1 LYS 47 -9.583 0.249 -6.982 286 2HZ LYS 47 HZ2 LYS 47 -8.370 -0.570 -7.829 287 3HZ LYS 47 HZ3 LYS 47 -9.653 0.144 -8.669 288 H GLU 48 HN GLU 48 -3.844 4.556 -5.788 289 HA GLU 48 HA GLU 48 -1.479 4.393 -7.410 290 1HB GLU 48 HB2 GLU 48 -1.782 6.197 -5.029 291 2HB GLU 48 HB1 GLU 48 -0.874 6.472 -6.508 292 1HG GLU 48 HG2 GLU 48 -3.530 6.159 -7.313 293 2HG GLU 48 HG1 GLU 48 -3.586 7.165 -5.866 294 H VAL 49 HN VAL 49 -2.273 3.855 -4.002 295 HA VAL 49 HA VAL 49 0.261 3.488 -2.951 296 HB VAL 49 HB VAL 49 -2.095 1.772 -2.176 297 1HG1 VAL 49 HG11 VAL 49 -0.855 2.466 0.116 298 2HG1 VAL 49 HG12 VAL 49 0.514 2.456 -0.996 299 3HG1 VAL 49 HG13 VAL 49 -0.478 1.010 -0.806 300 1HG2 VAL 49 HG21 VAL 49 -1.900 4.080 -0.523 301 2HG2 VAL 49 HG22 VAL 49 -3.247 3.558 -1.535 302 3HG2 VAL 49 HG23 VAL 49 -1.995 4.607 -2.203 303 H LEU 50 HN LEU 50 -1.900 0.963 -4.226 304 HA LEU 50 HA LEU 50 0.047 -1.096 -4.102 305 1HB LEU 50 HB2 LEU 50 -2.400 -1.470 -4.104 306 2HB LEU 50 HB1 LEU 50 -2.460 -0.943 -5.775 307 HG LEU 50 HG LEU 50 -0.693 -2.895 -6.088 308 1HD1 LEU 50 HD11 LEU 50 -0.464 -3.570 -3.822 309 2HD1 LEU 50 HD12 LEU 50 -1.405 -4.818 -4.643 310 3HD1 LEU 50 HD13 LEU 50 -2.213 -3.644 -3.602 311 1HD2 LEU 50 HD21 LEU 50 -2.562 -4.377 -6.649 312 2HD2 LEU 50 HD22 LEU 50 -2.816 -2.738 -7.244 313 3HD2 LEU 50 HD23 LEU 50 -3.667 -3.295 -5.801 314 H TYR 51 HN TYR 51 -0.657 1.373 -6.424 315 HA TYR 51 HA TYR 51 0.420 0.151 -8.724 316 1HB TYR 51 HB2 TYR 51 -0.976 2.155 -8.853 317 2HB TYR 51 HB1 TYR 51 0.254 3.087 -8.007 318 HD1 TYR 51 HD1 TYR 51 -0.950 2.008 -11.182 319 HD2 TYR 51 HD2 TYR 51 2.554 3.297 -9.141 320 HE1 TYR 51 HE1 TYR 51 0.090 2.573 -13.337 321 HE2 TYR 51 HE2 TYR 51 3.604 3.866 -11.291 322 HH TYR 51 HH TYR 51 2.344 4.498 -13.844 323 H HIS 52 HN HIS 52 1.912 2.533 -6.504 324 HA HIS 52 HA HIS 52 4.470 2.387 -7.662 325 1HB HIS 52 HB2 HIS 52 4.110 2.968 -4.739 326 2HB HIS 52 HB1 HIS 52 5.241 3.679 -5.880 327 HD1 HIS 52 HD1 HIS 52 3.859 5.111 -7.882 328 HD2 HIS 52 HD2 HIS 52 2.107 4.676 -4.139 329 HE1 HIS 52 HE1 HIS 52 2.152 6.950 -7.720 330 HE2 HIS 52 HE2 HIS 52 1.162 6.717 -5.415 331 H LEU 53 HN LEU 53 2.941 0.532 -5.072 332 HA LEU 53 HA LEU 53 5.103 -0.818 -4.062 333 1HB LEU 53 HB2 LEU 53 2.424 -0.855 -3.662 334 2HB LEU 53 HB1 LEU 53 2.655 -2.408 -4.448 335 HG LEU 53 HG LEU 53 4.414 -2.900 -2.766 336 1HD1 LEU 53 HD11 LEU 53 3.786 -1.365 -0.612 337 2HD1 LEU 53 HD12 LEU 53 3.729 -0.195 -1.930 338 3HD1 LEU 53 HD13 LEU 53 5.195 -1.137 -1.650 339 1HD2 LEU 53 HD21 LEU 53 2.898 -3.906 -1.420 340 2HD2 LEU 53 HD22 LEU 53 1.777 -3.350 -2.663 341 3HD2 LEU 53 HD23 LEU 53 1.977 -2.422 -1.177 342 H GLY 54 HN GLY 54 3.043 -1.728 -6.831 343 1HA GLY 54 HA2 GLY 54 4.288 -4.134 -7.485 344 2HA GLY 54 HA1 GLY 54 3.489 -3.078 -8.644 345 H GLN 55 HN GLN 55 5.137 -0.824 -8.367 346 HA GLN 55 HA GLN 55 7.357 -1.627 -10.009 347 1HB GLN 55 HB2 GLN 55 6.804 1.108 -8.853 348 2HB GLN 55 HB1 GLN 55 7.814 0.725 -10.240 349 1HG GLN 55 HG2 GLN 55 5.625 -0.245 -11.238 350 2HG GLN 55 HG1 GLN 55 4.840 0.757 -10.018 351 1HE2 GLN 55 HE21 GLN 55 5.962 3.045 -9.939 352 2HE2 GLN 55 HE22 GLN 55 6.076 3.822 -11.478 353 H TYR 56 HN TYR 56 6.812 -0.774 -6.684 354 HA TYR 56 HA TYR 56 9.442 -0.179 -5.899 355 1HB TYR 56 HB2 TYR 56 7.648 0.379 -4.416 356 2HB TYR 56 HB1 TYR 56 7.073 -1.284 -4.384 357 HD1 TYR 56 HD1 TYR 56 9.796 0.952 -3.259 358 HD2 TYR 56 HD2 TYR 56 7.930 -2.844 -2.827 359 HE1 TYR 56 HE1 TYR 56 11.158 0.521 -1.260 360 HE2 TYR 56 HE2 TYR 56 9.280 -3.285 -0.819 361 HH TYR 56 HH TYR 56 10.490 -1.964 0.914 362 H ILE 57 HN ILE 57 7.648 -3.233 -5.998 363 HA ILE 57 HA ILE 57 9.664 -4.844 -4.863 364 HB ILE 57 HB ILE 57 7.492 -5.645 -6.806 365 1HG1 ILE 57 HG12 ILE 57 7.551 -5.616 -3.781 366 2HG1 ILE 57 HG11 ILE 57 6.583 -4.569 -4.813 367 1HG2 ILE 57 HG21 ILE 57 9.661 -7.136 -5.850 368 2HG2 ILE 57 HG22 ILE 57 8.226 -7.738 -6.680 369 3HG2 ILE 57 HG23 ILE 57 8.263 -7.673 -4.918 370 1HD1 ILE 57 HD11 ILE 57 5.192 -6.338 -5.474 371 2HD1 ILE 57 HD12 ILE 57 5.401 -6.521 -3.732 372 3HD1 ILE 57 HD13 ILE 57 6.303 -7.554 -4.843 373 H MET 58 HN MET 58 8.708 -4.491 -8.291 374 HA MET 58 HA MET 58 10.825 -5.976 -9.352 375 1HB MET 58 HB2 MET 58 10.268 -5.009 -11.479 376 2HB MET 58 HB1 MET 58 8.774 -5.286 -10.594 377 1HG MET 58 HG2 MET 58 8.861 -2.868 -9.912 378 2HG MET 58 HG1 MET 58 10.181 -2.675 -11.064 379 1HE MET 58 HE1 MET 58 9.823 -3.829 -13.582 380 2HE MET 58 HE2 MET 58 8.236 -3.958 -14.342 381 3HE MET 58 HE3 MET 58 8.716 -5.114 -13.099 382 H ALA 59 HN ALA 59 10.637 -2.650 -8.308 383 HA ALA 59 HA ALA 59 13.108 -1.831 -9.505 384 1HB ALA 59 HB1 ALA 59 11.332 -0.222 -8.978 385 2HB ALA 59 HB2 ALA 59 12.848 0.198 -8.181 386 3HB ALA 59 HB3 ALA 59 11.546 -0.555 -7.260 387 H LYS 60 HN LYS 60 12.140 -2.365 -6.109 388 HA LYS 60 HA LYS 60 14.738 -2.254 -5.049 389 1HB LYS 60 HB2 LYS 60 12.108 -3.308 -4.099 390 2HB LYS 60 HB1 LYS 60 13.558 -3.734 -3.202 391 1HG LYS 60 HG2 LYS 60 12.376 -1.762 -2.306 392 2HG LYS 60 HG1 LYS 60 14.045 -1.429 -2.770 393 1HD LYS 60 HD2 LYS 60 13.176 -0.550 -4.943 394 2HD LYS 60 HD1 LYS 60 11.543 -0.730 -4.301 395 1HE LYS 60 HE2 LYS 60 11.780 1.353 -3.532 396 2HE LYS 60 HE1 LYS 60 12.845 0.655 -2.312 397 1HZ LYS 60 HZ1 LYS 60 13.934 2.487 -3.386 398 2HZ LYS 60 HZ2 LYS 60 13.670 1.817 -4.917 399 3HZ LYS 60 HZ3 LYS 60 14.718 1.055 -3.830 400 H GLN 61 HN GLN 61 12.991 -4.773 -6.662 401 HA GLN 61 HA GLN 61 13.631 -6.810 -7.439 402 1HB GLN 61 HB2 GLN 61 15.810 -5.609 -7.872 403 2HB GLN 61 HB1 GLN 61 16.379 -6.236 -6.331 404 1HG GLN 61 HG2 GLN 61 17.043 -8.071 -7.362 405 2HG GLN 61 HG1 GLN 61 15.360 -8.436 -7.744 406 1HE2 GLN 61 HE21 GLN 61 14.853 -6.336 -9.511 407 2HE2 GLN 61 HE22 GLN 61 15.771 -6.594 -10.951 408 H LEU 62 HN LEU 62 12.169 -7.268 -5.492 409 HA LEU 62 HA LEU 62 13.648 -8.849 -3.494 410 1HB LEU 62 HB2 LEU 62 10.810 -7.903 -3.202 411 2HB LEU 62 HB1 LEU 62 11.888 -8.497 -1.954 412 HG LEU 62 HG LEU 62 12.069 -5.846 -3.382 413 1HD1 LEU 62 HD11 LEU 62 10.341 -6.043 -1.630 414 2HD1 LEU 62 HD12 LEU 62 11.617 -4.901 -1.211 415 3HD1 LEU 62 HD13 LEU 62 11.595 -6.507 -0.480 416 1HD2 LEU 62 HD21 LEU 62 14.061 -5.386 -2.266 417 2HD2 LEU 62 HD22 LEU 62 14.277 -7.045 -2.822 418 3HD2 LEU 62 HD23 LEU 62 13.852 -6.726 -1.141 419 H TYR 63 HN TYR 63 12.314 -9.396 -6.314 420 HA TYR 63 HA TYR 63 10.558 -11.596 -5.574 421 1HB TYR 63 HB2 TYR 63 10.224 -11.813 -8.037 422 2HB TYR 63 HB1 TYR 63 9.806 -10.223 -7.408 423 HD1 TYR 63 HD1 TYR 63 12.643 -12.052 -9.001 424 HD2 TYR 63 HD2 TYR 63 10.655 -8.331 -8.447 425 HE1 TYR 63 HE1 TYR 63 14.151 -11.009 -10.639 426 HE2 TYR 63 HE2 TYR 63 12.159 -7.277 -10.082 427 HH TYR 63 HH TYR 63 14.977 -8.838 -11.263 428 H ASP 64 HN ASP 64 10.953 -13.752 -6.057 429 HA ASP 64 HA ASP 64 13.668 -14.572 -5.908 430 1HB ASP 64 HB2 ASP 64 11.863 -15.876 -4.887 431 2HB ASP 64 HB1 ASP 64 11.176 -16.192 -6.475 432 H GLU 65 HN GLU 65 14.966 -15.585 -7.420 433 HA GLU 65 HA GLU 65 14.751 -14.706 -10.081 434 1HB GLU 65 HB2 GLU 65 16.767 -15.701 -8.577 435 2HB GLU 65 HB1 GLU 65 16.405 -17.105 -9.571 436 1HG GLU 65 HG2 GLU 65 16.615 -14.571 -11.035 437 2HG GLU 65 HG1 GLU 65 18.103 -15.122 -10.268 438 H LYS 66 HN LYS 66 14.508 -18.040 -8.815 439 HA LYS 66 HA LYS 66 13.723 -19.277 -11.164 440 1HB LYS 66 HB2 LYS 66 13.121 -19.912 -8.283 441 2HB LYS 66 HB1 LYS 66 12.578 -20.948 -9.596 442 1HG LYS 66 HG2 LYS 66 14.790 -21.474 -10.225 443 2HG LYS 66 HG1 LYS 66 15.459 -20.188 -9.219 444 1HD LYS 66 HD2 LYS 66 15.843 -22.204 -8.044 445 2HD LYS 66 HD1 LYS 66 14.488 -21.418 -7.231 446 1HE LYS 66 HE2 LYS 66 13.270 -22.963 -9.166 447 2HE LYS 66 HE1 LYS 66 14.609 -23.972 -8.621 448 1HZ LYS 66 HZ1 LYS 66 12.215 -23.150 -7.207 449 2HZ LYS 66 HZ2 LYS 66 13.638 -23.109 -6.293 450 3HZ LYS 66 HZ3 LYS 66 13.151 -24.550 -7.033 451 H GLN 67 HN GLN 67 11.604 -18.049 -8.567 452 HA GLN 67 HA GLN 67 9.416 -17.964 -10.539 453 1HB GLN 67 HB2 GLN 67 7.968 -17.872 -8.382 454 2HB GLN 67 HB1 GLN 67 8.624 -19.413 -8.908 455 1HG GLN 67 HG2 GLN 67 10.046 -17.709 -6.898 456 2HG GLN 67 HG1 GLN 67 8.762 -18.820 -6.430 457 1HE2 GLN 67 HE21 GLN 67 9.193 -20.990 -7.947 458 2HE2 GLN 67 HE22 GLN 67 10.737 -21.683 -7.605 459 H GLN 68 HN GLN 68 8.761 -16.022 -11.143 460 HA GLN 68 HA GLN 68 9.766 -13.670 -9.802 461 1HB GLN 68 HB2 GLN 68 8.304 -14.210 -12.351 462 2HB GLN 68 HB1 GLN 68 8.287 -12.580 -11.691 463 1HG GLN 68 HG2 GLN 68 10.099 -12.453 -13.063 464 2HG GLN 68 HG1 GLN 68 10.877 -12.941 -11.557 465 1HE2 GLN 68 HE21 GLN 68 12.478 -14.260 -12.038 466 2HE2 GLN 68 HE22 GLN 68 12.403 -15.594 -13.133 467 H HIS 69 HN HIS 69 6.944 -15.567 -9.634 468 HA HIS 69 HA HIS 69 5.249 -13.382 -8.751 469 1HB HIS 69 HB2 HIS 69 3.463 -14.949 -8.738 470 2HB HIS 69 HB1 HIS 69 4.425 -15.313 -10.164 471 HD1 HIS 69 HD1 HIS 69 6.166 -17.393 -9.813 472 HD2 HIS 69 HD2 HIS 69 2.998 -17.097 -7.141 473 HE1 HIS 69 HE1 HIS 69 5.970 -19.663 -8.749 474 HE2 HIS 69 HE2 HIS 69 3.991 -19.484 -7.199 475 H ILE 70 HN ILE 70 7.706 -14.761 -7.291 476 HA ILE 70 HA ILE 70 6.366 -14.878 -4.670 477 HB ILE 70 HB ILE 70 8.840 -16.396 -5.512 478 1HG1 ILE 70 HG12 ILE 70 6.944 -17.441 -6.524 479 2HG1 ILE 70 HG11 ILE 70 7.354 -18.398 -5.105 480 1HG2 ILE 70 HG21 ILE 70 7.684 -15.771 -2.910 481 2HG2 ILE 70 HG22 ILE 70 9.290 -16.370 -3.326 482 3HG2 ILE 70 HG23 ILE 70 7.943 -17.497 -3.165 483 1HD1 ILE 70 HD11 ILE 70 5.109 -18.285 -4.842 484 2HD1 ILE 70 HD12 ILE 70 4.979 -16.719 -5.641 485 3HD1 ILE 70 HD13 ILE 70 5.559 -16.815 -3.979 486 H VAL 71 HN VAL 71 7.147 -13.600 -3.093 487 HA VAL 71 HA VAL 71 9.668 -12.164 -3.597 488 HB VAL 71 HB VAL 71 7.357 -10.880 -2.165 489 1HG1 VAL 71 HG11 VAL 71 9.771 -10.040 -2.052 490 2HG1 VAL 71 HG12 VAL 71 8.519 -8.872 -2.477 491 3HG1 VAL 71 HG13 VAL 71 9.548 -9.559 -3.734 492 1HG2 VAL 71 HG21 VAL 71 6.273 -11.145 -4.169 493 2HG2 VAL 71 HG22 VAL 71 7.773 -11.182 -5.101 494 3HG2 VAL 71 HG23 VAL 71 7.152 -9.649 -4.490 495 H HIS 72 HN HIS 72 11.025 -13.096 -2.165 496 HA HIS 72 HA HIS 72 10.157 -13.159 0.648 497 1HB HIS 72 HB2 HIS 72 11.483 -15.168 0.998 498 2HB HIS 72 HB1 HIS 72 10.311 -15.438 -0.287 499 HD1 HIS 72 HD1 HIS 72 11.438 -14.996 -2.807 500 HD2 HIS 72 HD2 HIS 72 13.958 -16.005 0.339 501 HE1 HIS 72 HE1 HIS 72 13.549 -15.840 -3.881 502 HE2 HIS 72 HE2 HIS 72 15.092 -16.359 -1.958 503 H CYS 73 HN CYS 73 11.108 -11.339 1.383 504 HA CYS 73 HA CYS 73 14.043 -11.240 1.249 505 1HB CYS 73 HB2 CYS 73 12.507 -9.467 -0.113 506 2HB CYS 73 HB1 CYS 73 12.635 -8.644 1.438 507 HG CYS 73 HG CYS 73 15.273 -9.503 0.084 508 H SER 74 HN SER 74 14.535 -11.872 3.293 509 HA SER 74 HA SER 74 12.959 -11.294 5.553 510 1HB SER 74 HB2 SER 74 14.961 -13.031 5.128 511 2HB SER 74 HB1 SER 74 15.865 -11.763 5.955 512 HG SER 74 HG SER 74 14.104 -11.899 7.575 513 H ASN 75 HN ASN 75 15.949 -9.733 4.384 514 HA ASN 75 HA ASN 75 15.373 -7.619 6.345 515 1HB ASN 75 HB2 ASN 75 17.861 -8.550 4.979 516 2HB ASN 75 HB1 ASN 75 17.742 -6.846 5.407 517 1HD2 ASN 75 HD21 ASN 75 19.690 -8.324 6.525 518 2HD2 ASN 75 HD22 ASN 75 19.358 -8.606 8.197 519 H ASP 76 HN ASP 76 13.742 -6.599 5.289 520 HA ASP 76 HA ASP 76 14.555 -4.723 3.273 521 1HB ASP 76 HB2 ASP 76 13.572 -7.146 2.322 522 2HB ASP 76 HB1 ASP 76 12.190 -6.058 2.229 523 HA PRO 77 HA PRO 77 11.571 -2.226 5.364 524 1HB PRO 77 HB2 PRO 77 10.851 -1.099 2.727 525 2HB PRO 77 HB1 PRO 77 11.453 -0.292 4.172 526 1HG PRO 77 HG2 PRO 77 12.969 -0.694 1.970 527 2HG PRO 77 HG1 PRO 77 13.633 -0.592 3.608 528 1HD PRO 77 HD2 PRO 77 13.286 -2.946 1.858 529 2HD PRO 77 HD1 PRO 77 14.428 -2.666 3.181 530 H LEU 78 HN LEU 78 10.752 -3.974 2.435 531 HA LEU 78 HA LEU 78 7.928 -3.759 2.685 532 1HB LEU 78 HB2 LEU 78 9.482 -4.483 0.669 533 2HB LEU 78 HB1 LEU 78 9.208 -6.084 1.323 534 HG LEU 78 HG LEU 78 6.744 -5.671 1.122 535 1HD1 LEU 78 HD11 LEU 78 5.866 -3.776 0.261 536 2HD1 LEU 78 HD12 LEU 78 7.240 -3.493 -0.809 537 3HD1 LEU 78 HD13 LEU 78 7.352 -3.073 0.900 538 1HD2 LEU 78 HD21 LEU 78 7.964 -6.975 -0.538 539 2HD2 LEU 78 HD22 LEU 78 8.360 -5.499 -1.419 540 3HD2 LEU 78 HD23 LEU 78 6.683 -6.029 -1.295 541 H GLY 79 HN GLY 79 10.068 -6.586 3.159 542 1HA GLY 79 HA2 GLY 79 8.183 -8.218 4.413 543 2HA GLY 79 HA1 GLY 79 9.924 -8.354 4.622 544 H GLU 80 HN GLU 80 10.238 -5.699 5.709 545 HA GLU 80 HA GLU 80 9.696 -6.286 8.457 546 1HB GLU 80 HB2 GLU 80 11.712 -5.145 8.113 547 2HB GLU 80 HB1 GLU 80 10.993 -4.018 6.974 548 1HG GLU 80 HG2 GLU 80 11.633 -3.067 9.202 549 2HG GLU 80 HG1 GLU 80 9.970 -2.777 8.697 550 H LEU 81 HN LEU 81 8.226 -4.368 5.954 551 HA LEU 81 HA LEU 81 6.592 -2.737 7.603 552 1HB LEU 81 HB2 LEU 81 7.057 -2.132 5.305 553 2HB LEU 81 HB1 LEU 81 6.305 -3.604 4.727 554 HG LEU 81 HG LEU 81 4.150 -2.707 5.807 555 1HD1 LEU 81 HD11 LEU 81 3.999 -0.311 6.047 556 2HD1 LEU 81 HD12 LEU 81 5.698 -0.130 5.608 557 3HD1 LEU 81 HD13 LEU 81 5.257 -0.936 7.113 558 1HD2 LEU 81 HD21 LEU 81 3.520 -1.697 3.799 559 2HD2 LEU 81 HD22 LEU 81 4.817 -2.798 3.334 560 3HD2 LEU 81 HD23 LEU 81 5.141 -1.072 3.497 561 H PHE 82 HN PHE 82 5.718 -5.508 5.545 562 HA PHE 82 HA PHE 82 3.163 -5.842 6.746 563 1HB PHE 82 HB2 PHE 82 4.694 -7.916 5.171 564 2HB PHE 82 HB1 PHE 82 2.949 -7.793 5.370 565 HD1 PHE 82 HD1 PHE 82 2.542 -4.904 4.880 566 HD2 PHE 82 HD2 PHE 82 5.003 -7.740 2.877 567 HE1 PHE 82 HE1 PHE 82 2.402 -3.566 2.821 568 HE2 PHE 82 HE2 PHE 82 4.868 -6.406 0.814 569 HZ PHE 82 HZ PHE 82 3.566 -4.316 0.784 570 H GLY 83 HN GLY 83 6.343 -7.047 7.462 571 1HA GLY 83 HA2 GLY 83 7.024 -8.013 9.475 572 2HA GLY 83 HA1 GLY 83 5.337 -8.235 9.912 573 H VAL 84 HN VAL 84 6.772 -9.302 6.889 574 HA VAL 84 HA VAL 84 6.634 -12.086 7.827 575 HB VAL 84 HB VAL 84 5.751 -12.731 5.573 576 1HG1 VAL 84 HG11 VAL 84 4.265 -11.279 7.666 577 2HG1 VAL 84 HG12 VAL 84 4.041 -12.911 7.036 578 3HG1 VAL 84 HG13 VAL 84 3.414 -11.526 6.141 579 1HG2 VAL 84 HG21 VAL 84 5.748 -11.191 3.967 580 2HG2 VAL 84 HG22 VAL 84 6.081 -9.901 5.123 581 3HG2 VAL 84 HG23 VAL 84 4.418 -10.397 4.811 582 H GLN 85 HN GLN 85 7.883 -13.596 6.510 583 HA GLN 85 HA GLN 85 10.381 -12.391 5.668 584 1HB GLN 85 HB2 GLN 85 10.508 -14.331 7.102 585 2HB GLN 85 HB1 GLN 85 9.519 -15.269 5.991 586 1HG GLN 85 HG2 GLN 85 11.298 -15.096 4.303 587 2HG GLN 85 HG1 GLN 85 12.294 -14.228 5.469 588 1HE2 GLN 85 HE21 GLN 85 13.257 -15.336 7.135 589 2HE2 GLN 85 HE22 GLN 85 13.305 -17.061 7.215 590 H GLU 86 HN GLU 86 7.646 -14.066 4.261 591 HA GLU 86 HA GLU 86 8.452 -13.201 1.624 592 1HB GLU 86 HB2 GLU 86 8.395 -15.408 0.606 593 2HB GLU 86 HB1 GLU 86 9.627 -15.356 1.859 594 1HG GLU 86 HG2 GLU 86 8.606 -16.908 3.107 595 2HG GLU 86 HG1 GLU 86 6.997 -16.270 2.772 596 H PHE 87 HN PHE 87 6.756 -13.562 0.008 597 HA PHE 87 HA PHE 87 4.175 -14.465 0.863 598 1HB PHE 87 HB2 PHE 87 2.988 -12.409 0.852 599 2HB PHE 87 HB1 PHE 87 4.395 -12.145 1.874 600 HD1 PHE 87 HD1 PHE 87 2.699 -11.231 -1.197 601 HD2 PHE 87 HD2 PHE 87 6.268 -10.770 1.075 602 HE1 PHE 87 HE1 PHE 87 3.311 -9.278 -2.563 603 HE2 PHE 87 HE2 PHE 87 6.886 -8.816 -0.286 604 HZ PHE 87 HZ PHE 87 5.407 -8.067 -2.107 605 H SER 88 HN SER 88 3.249 -15.350 -0.855 606 HA SER 88 HA SER 88 4.275 -14.797 -3.501 607 1HB SER 88 HB2 SER 88 2.990 -16.681 -4.224 608 2HB SER 88 HB1 SER 88 3.674 -17.112 -2.657 609 HG SER 88 HG SER 88 1.655 -17.578 -2.241 610 H VAL 89 HN VAL 89 3.424 -13.400 -4.904 611 HA VAL 89 HA VAL 89 1.286 -11.719 -4.239 612 HB VAL 89 HB VAL 89 1.295 -11.406 -6.915 613 1HG1 VAL 89 HG11 VAL 89 3.447 -9.902 -6.274 614 2HG1 VAL 89 HG12 VAL 89 2.799 -10.256 -4.672 615 3HG1 VAL 89 HG13 VAL 89 1.780 -9.477 -5.883 616 1HG2 VAL 89 HG21 VAL 89 2.946 -13.312 -7.118 617 2HG2 VAL 89 HG22 VAL 89 4.124 -12.253 -6.341 618 3HG2 VAL 89 HG23 VAL 89 3.413 -11.795 -7.888 619 H LYS 90 HN LYS 90 1.224 -14.907 -5.424 620 HA LYS 90 HA LYS 90 -0.977 -15.016 -7.075 621 1HB LYS 90 HB2 LYS 90 0.523 -16.927 -6.383 622 2HB LYS 90 HB1 LYS 90 -0.405 -17.023 -4.893 623 1HG LYS 90 HG2 LYS 90 -2.192 -17.967 -5.902 624 2HG LYS 90 HG1 LYS 90 -1.949 -17.080 -7.408 625 1HD LYS 90 HD2 LYS 90 0.163 -18.584 -7.637 626 2HD LYS 90 HD1 LYS 90 -0.668 -19.616 -6.472 627 1HE LYS 90 HE2 LYS 90 -2.627 -19.672 -7.978 628 2HE LYS 90 HE1 LYS 90 -1.721 -18.722 -9.154 629 1HZ LYS 90 HZ1 LYS 90 -0.449 -21.158 -8.193 630 2HZ LYS 90 HZ2 LYS 90 -0.464 -20.484 -9.744 631 3HZ LYS 90 HZ3 LYS 90 -1.800 -21.363 -9.191 632 H GLU 91 HN GLU 91 -0.958 -15.160 -3.515 633 HA GLU 91 HA GLU 91 -3.822 -15.154 -3.341 634 1HB GLU 91 HB2 GLU 91 -1.703 -14.698 -1.232 635 2HB GLU 91 HB1 GLU 91 -3.422 -14.868 -0.903 636 1HG GLU 91 HG2 GLU 91 -2.093 -17.025 -2.440 637 2HG GLU 91 HG1 GLU 91 -1.737 -16.896 -0.718 638 H HIS 92 HN HIS 92 -4.359 -13.293 -4.570 639 HA HIS 92 HA HIS 92 -3.417 -10.718 -4.181 640 1HB HIS 92 HB2 HIS 92 -6.164 -11.645 -5.034 641 2HB HIS 92 HB1 HIS 92 -5.603 -9.980 -5.153 642 HD1 HIS 92 HD1 HIS 92 -6.437 -11.513 -7.673 643 HD2 HIS 92 HD2 HIS 92 -2.536 -11.321 -6.257 644 HE1 HIS 92 HE1 HIS 92 -4.975 -11.972 -9.667 645 HE2 HIS 92 HE2 HIS 92 -2.617 -11.771 -8.803 646 H ARG 93 HN ARG 93 -6.327 -12.184 -2.729 647 HA ARG 93 HA ARG 93 -7.224 -10.094 -1.211 648 1HB ARG 93 HB2 ARG 93 -7.129 -12.932 -0.191 649 2HB ARG 93 HB1 ARG 93 -8.307 -11.689 0.206 650 1HG ARG 93 HG2 ARG 93 -8.648 -11.794 -2.452 651 2HG ARG 93 HG1 ARG 93 -8.129 -13.453 -2.148 652 1HD ARG 93 HD2 ARG 93 -9.955 -12.938 -0.129 653 2HD ARG 93 HD1 ARG 93 -10.653 -12.151 -1.544 654 HE ARG 93 HE ARG 93 -9.797 -14.730 -2.255 655 1HH1 ARG 93 HH11 ARG 93 -12.253 -13.153 -0.341 656 2HH1 ARG 93 HH12 ARG 93 -13.400 -14.437 -0.528 657 1HH2 ARG 93 HH21 ARG 93 -11.305 -16.419 -2.502 658 2HH2 ARG 93 HH22 ARG 93 -12.862 -16.291 -1.755 659 H ARG 94 HN ARG 94 -4.562 -12.282 -0.460 660 HA ARG 94 HA ARG 94 -4.135 -11.291 2.176 661 1HB ARG 94 HB2 ARG 94 -3.050 -13.338 0.495 662 2HB ARG 94 HB1 ARG 94 -1.725 -12.393 1.160 663 1HG ARG 94 HG2 ARG 94 -1.915 -13.440 3.096 664 2HG ARG 94 HG1 ARG 94 -3.595 -12.918 3.242 665 1HD ARG 94 HD2 ARG 94 -3.699 -15.253 3.337 666 2HD ARG 94 HD1 ARG 94 -4.147 -14.861 1.677 667 HE ARG 94 HE ARG 94 -2.273 -15.952 0.954 668 1HH1 ARG 94 HH11 ARG 94 -1.943 -15.303 4.367 669 2HH1 ARG 94 HH12 ARG 94 -0.496 -16.240 4.533 670 1HH2 ARG 94 HH21 ARG 94 -0.370 -17.184 1.170 671 2HH2 ARG 94 HH22 ARG 94 0.398 -17.307 2.718 672 H ILE 95 HN ILE 95 -3.170 -10.233 -0.977 673 HA ILE 95 HA ILE 95 -0.925 -8.682 -0.113 674 HB ILE 95 HB ILE 95 -2.514 -8.562 -2.680 675 1HG1 ILE 95 HG12 ILE 95 0.104 -9.883 -1.939 676 2HG1 ILE 95 HG11 ILE 95 -1.390 -10.684 -2.412 677 1HG2 ILE 95 HG21 ILE 95 -0.491 -7.361 -3.553 678 2HG2 ILE 95 HG22 ILE 95 0.046 -7.192 -1.882 679 3HG2 ILE 95 HG23 ILE 95 -1.462 -6.442 -2.403 680 1HD1 ILE 95 HD11 ILE 95 0.755 -9.811 -4.043 681 2HD1 ILE 95 HD12 ILE 95 -0.688 -8.899 -4.486 682 3HD1 ILE 95 HD13 ILE 95 -0.717 -10.662 -4.512 683 H TYR 96 HN TYR 96 -4.016 -7.577 -1.546 684 HA TYR 96 HA TYR 96 -3.762 -4.918 -0.795 685 1HB TYR 96 HB2 TYR 96 -6.255 -6.573 -1.215 686 2HB TYR 96 HB1 TYR 96 -6.258 -4.823 -1.041 687 HD1 TYR 96 HD1 TYR 96 -3.354 -5.922 -2.798 688 HD2 TYR 96 HD2 TYR 96 -7.493 -5.098 -3.286 689 HE1 TYR 96 HE1 TYR 96 -3.021 -5.692 -5.220 690 HE2 TYR 96 HE2 TYR 96 -7.174 -4.865 -5.708 691 HH TYR 96 HH TYR 96 -5.625 -5.550 -7.432 692 H ALA 97 HN ALA 97 -4.585 -7.663 1.129 693 HA ALA 97 HA ALA 97 -5.927 -6.214 3.206 694 1HB ALA 97 HB1 ALA 97 -6.603 -8.396 3.212 695 2HB ALA 97 HB2 ALA 97 -5.357 -8.457 4.458 696 3HB ALA 97 HB3 ALA 97 -4.998 -9.013 2.823 697 H MET 98 HN MET 98 -2.644 -7.516 2.781 698 HA MET 98 HA MET 98 -1.757 -6.760 5.369 699 1HB MET 98 HB2 MET 98 0.366 -7.503 4.724 700 2HB MET 98 HB1 MET 98 -0.736 -8.504 3.793 701 1HG MET 98 HG2 MET 98 -0.352 -6.560 2.015 702 2HG MET 98 HG1 MET 98 1.167 -6.432 2.896 703 1HE MET 98 HE1 MET 98 1.787 -7.902 -0.433 704 2HE MET 98 HE2 MET 98 3.105 -8.038 0.731 705 3HE MET 98 HE3 MET 98 2.061 -6.616 0.742 706 H ILE 99 HN ILE 99 -1.683 -5.167 2.226 707 HA ILE 99 HA ILE 99 -0.031 -2.997 3.073 708 HB ILE 99 HB ILE 99 -0.817 -1.883 0.987 709 1HG1 ILE 99 HG12 ILE 99 -2.027 -4.011 -0.376 710 2HG1 ILE 99 HG11 ILE 99 -2.844 -3.946 1.182 711 1HG2 ILE 99 HG21 ILE 99 0.060 -3.814 -0.534 712 2HG2 ILE 99 HG22 ILE 99 0.376 -4.617 1.004 713 3HG2 ILE 99 HG23 ILE 99 1.129 -3.063 0.650 714 1HD1 ILE 99 HD11 ILE 99 -3.197 -2.288 -1.093 715 2HD1 ILE 99 HD12 ILE 99 -2.621 -1.298 0.248 716 3HD1 ILE 99 HD13 ILE 99 -4.076 -2.277 0.436 717 H SER 100 HN SER 100 -3.459 -3.651 3.108 718 HA SER 100 HA SER 100 -4.278 -0.956 3.590 719 1HB SER 100 HB2 SER 100 -5.729 -2.831 2.658 720 2HB SER 100 HB1 SER 100 -5.831 -3.446 4.308 721 HG SER 100 HG SER 100 -6.506 -0.783 3.631 722 H ARG 101 HN ARG 101 -3.294 -3.656 5.571 723 HA ARG 101 HA ARG 101 -4.224 -2.606 8.049 724 1HB ARG 101 HB2 ARG 101 -2.082 -4.657 7.460 725 2HB ARG 101 HB1 ARG 101 -2.726 -4.311 9.059 726 1HG ARG 101 HG2 ARG 101 -4.688 -5.386 8.657 727 2HG ARG 101 HG1 ARG 101 -4.658 -5.029 6.929 728 1HD ARG 101 HD2 ARG 101 -4.057 -7.171 6.683 729 2HD ARG 101 HD1 ARG 101 -2.466 -6.636 7.223 730 HE ARG 101 HE ARG 101 -4.246 -7.350 9.367 731 1HH1 ARG 101 HH11 ARG 101 -1.898 -8.539 7.074 732 2HH1 ARG 101 HH12 ARG 101 -1.483 -9.923 8.027 733 1HH2 ARG 101 HH21 ARG 101 -3.701 -9.171 10.621 734 2HH2 ARG 101 HH22 ARG 101 -2.507 -10.283 10.040 735 H ASN 102 HN ASN 102 -1.440 -2.038 6.079 736 HA ASN 102 HA ASN 102 0.023 -0.773 8.260 737 1HB ASN 102 HB2 ASN 102 0.705 -1.867 5.637 738 2HB ASN 102 HB1 ASN 102 1.467 -0.314 5.944 739 1HD2 ASN 102 HD21 ASN 102 1.216 -3.640 7.021 740 2HD2 ASN 102 HD22 ASN 102 2.620 -3.612 8.023 741 H LEU 103 HN LEU 103 -2.438 0.448 7.547 742 HA LEU 103 HA LEU 103 -1.520 2.948 6.289 743 1HB LEU 103 HB2 LEU 103 -4.355 1.953 6.579 744 2HB LEU 103 HB1 LEU 103 -3.840 3.396 5.726 745 HG LEU 103 HG LEU 103 -3.158 0.563 4.933 746 1HD1 LEU 103 HD11 LEU 103 -5.082 2.543 3.722 747 2HD1 LEU 103 HD12 LEU 103 -5.512 1.067 4.586 748 3HD1 LEU 103 HD13 LEU 103 -4.660 0.970 3.045 749 1HD2 LEU 103 HD21 LEU 103 -1.415 1.673 4.001 750 2HD2 LEU 103 HD22 LEU 103 -2.256 3.223 4.003 751 3HD2 LEU 103 HD23 LEU 103 -2.623 2.023 2.764 752 H VAL 104 HN VAL 104 -0.940 4.327 7.851 753 HA VAL 104 HA VAL 104 -1.712 4.292 10.501 754 HB VAL 104 HB VAL 104 -1.207 6.899 10.319 755 1HG1 VAL 104 HG11 VAL 104 1.040 6.414 10.830 756 2HG1 VAL 104 HG12 VAL 104 1.019 4.928 9.878 757 3HG1 VAL 104 HG13 VAL 104 0.116 5.020 11.391 758 1HG2 VAL 104 HG21 VAL 104 -1.229 6.573 7.729 759 2HG2 VAL 104 HG22 VAL 104 0.402 5.960 7.982 760 3HG2 VAL 104 HG23 VAL 104 -0.009 7.602 8.474 761 H SER 105 HN SER 105 -2.717 7.129 8.624 762 HA SER 105 HA SER 105 -5.353 6.908 9.902 763 1HB SER 105 HB2 SER 105 -3.945 8.942 10.398 764 2HB SER 105 HB1 SER 105 -4.111 9.390 8.700 765 HG SER 105 HG SER 105 -6.215 9.792 8.990 766 H ALA 106 HN ALA 106 -7.136 6.686 8.698 767 HA ALA 106 HA ALA 106 -6.821 6.690 5.778 768 1HB ALA 106 HB1 ALA 106 -8.579 5.154 5.646 769 2HB ALA 106 HB2 ALA 106 -9.168 5.550 7.260 770 3HB ALA 106 HB3 ALA 106 -7.666 4.645 7.067 771 H ASN 107 HN ASN 107 -7.794 8.180 4.556 772 HA ASN 107 HA ASN 107 -9.504 10.146 5.866 773 1HB ASN 107 HB2 ASN 107 -7.589 10.204 3.720 774 2HB ASN 107 HB1 ASN 107 -9.130 10.837 3.151 775 1HD2 ASN 107 HD21 ASN 107 -6.419 11.331 5.211 776 2HD2 ASN 107 HD22 ASN 107 -6.829 12.927 5.728 777 H VAL 108 HN VAL 108 -11.548 9.387 6.001 778 HA VAL 108 HA VAL 108 -12.799 7.764 4.081 779 HB VAL 108 HB VAL 108 -14.949 8.784 5.295 780 1HG1 VAL 108 HG11 VAL 108 -12.992 6.882 6.553 781 2HG1 VAL 108 HG12 VAL 108 -14.197 6.479 5.325 782 3HG1 VAL 108 HG13 VAL 108 -14.713 6.999 6.933 783 1HG2 VAL 108 HG21 VAL 108 -14.614 9.736 7.357 784 2HG2 VAL 108 HG22 VAL 108 -13.264 10.430 6.458 785 3HG2 VAL 108 HG23 VAL 108 -12.996 9.056 7.530 786 H LYS 109 HN LYS 109 -14.502 8.227 2.647 787 HA LYS 109 HA LYS 109 -14.117 10.599 1.120 788 1HB LYS 109 HB2 LYS 109 -15.143 8.117 0.601 789 2HB LYS 109 HB1 LYS 109 -16.601 9.097 0.643 790 1HG LYS 109 HG2 LYS 109 -14.640 10.477 -0.884 791 2HG LYS 109 HG1 LYS 109 -14.726 8.809 -1.454 792 1HD LYS 109 HD2 LYS 109 -17.358 9.392 -1.196 793 2HD LYS 109 HD1 LYS 109 -16.712 10.978 -1.623 794 1HE LYS 109 HE2 LYS 109 -16.196 10.345 -3.725 795 2HE LYS 109 HE1 LYS 109 -15.695 8.730 -3.226 796 1HZ LYS 109 HZ1 LYS 109 -18.002 8.078 -3.080 797 2HZ LYS 109 HZ2 LYS 109 -17.682 8.692 -4.623 798 3HZ LYS 109 HZ3 LYS 109 -18.511 9.638 -3.492 799 H GLU 110 HN GLU 110 -14.800 12.533 1.757 800 HA GLU 110 HA GLU 110 -16.137 14.219 2.493 801 1HB GLU 110 HB2 GLU 110 -17.751 12.832 0.925 802 2HB GLU 110 HB1 GLU 110 -18.554 12.464 2.445 803 1HG GLU 110 HG2 GLU 110 -17.922 15.302 1.889 804 2HG GLU 110 HG1 GLU 110 -19.210 14.551 0.949 805 H SER 111 HN SER 111 -16.654 15.031 4.460 806 HA SER 111 HA SER 111 -16.735 13.122 6.679 807 1HB SER 111 HB2 SER 111 -16.119 15.000 8.103 808 2HB SER 111 HB1 SER 111 -15.019 14.916 6.727 809 HG SER 111 HG SER 111 -16.229 17.018 7.450 810 H SER 112 HN SER 112 -18.612 12.640 7.584 811 HA SER 112 HA SER 112 -20.951 14.275 7.051 812 1HB SER 112 HB2 SER 112 -20.450 11.518 8.030 813 2HB SER 112 HB1 SER 112 -21.913 12.307 8.618 814 HG SER 112 HG SER 112 -22.752 12.218 6.675 815 H GLU 113 HN GLU 113 -22.436 14.875 8.792 816 HA GLU 113 HA GLU 113 -21.190 16.392 10.781 817 1HB GLU 113 HB2 GLU 113 -23.487 16.594 11.759 818 2HB GLU 113 HB1 GLU 113 -23.392 16.985 10.047 819 1HG GLU 113 HG2 GLU 113 -24.007 14.184 10.556 820 2HG GLU 113 HG1 GLU 113 -25.204 15.299 11.213 821 H ASP 114 HN ASP 114 -20.299 15.842 12.650 822 HA ASP 114 HA ASP 114 -20.691 13.151 13.686 823 1HB ASP 114 HB2 ASP 114 -18.667 15.299 14.054 824 2HB ASP 114 HB1 ASP 114 -18.916 14.189 15.399 825 H ILE 115 HN ILE 115 -21.323 12.709 15.830 826 HA ILE 115 HA ILE 115 -22.891 14.839 17.085 827 HB ILE 115 HB ILE 115 -23.273 11.869 17.464 828 1HG1 ILE 115 HG12 ILE 115 -24.823 13.751 15.670 829 2HG1 ILE 115 HG11 ILE 115 -23.700 12.514 15.115 830 1HG2 ILE 115 HG21 ILE 115 -24.542 14.308 18.526 831 2HG2 ILE 115 HG22 ILE 115 -24.373 12.708 19.246 832 3HG2 ILE 115 HG23 ILE 115 -25.637 13.009 18.054 833 1HD1 ILE 115 HD11 ILE 115 -25.365 11.068 15.063 834 2HD1 ILE 115 HD12 ILE 115 -26.468 12.283 15.710 835 3HD1 ILE 115 HD13 ILE 115 -25.560 11.243 16.807 836 H PHE 116 HN PHE 116 -21.582 15.688 18.527 837 HA PHE 116 HA PHE 116 -19.699 14.193 20.078 838 1HB PHE 116 HB2 PHE 116 -20.663 17.029 20.496 839 2HB PHE 116 HB1 PHE 116 -19.213 16.307 21.186 840 HD1 PHE 116 HD1 PHE 116 -19.979 18.693 19.059 841 HD2 PHE 116 HD2 PHE 116 -18.014 14.920 18.947 842 HE1 PHE 116 HE1 PHE 116 -18.687 19.429 17.098 843 HE2 PHE 116 HE2 PHE 116 -16.718 15.649 16.987 844 HZ PHE 116 HZ PHE 116 -17.053 17.906 16.061 845 H GLY 117 HN GLY 117 -22.979 15.286 20.517 846 1HA GLY 117 HA2 GLY 117 -24.336 13.992 22.089 847 2HA GLY 117 HA1 GLY 117 -22.966 14.027 23.189 848 H ASN 118 HN ASN 118 -23.972 16.818 21.338 849 HA ASN 118 HA ASN 118 -24.987 18.039 23.821 850 1HB ASN 118 HB2 ASN 118 -22.688 18.820 22.842 851 2HB ASN 118 HB1 ASN 118 -23.687 19.679 21.673 852 1HD2 ASN 118 HD21 ASN 118 -23.096 19.258 25.119 853 2HD2 ASN 118 HD22 ASN 118 -23.607 20.841 25.584 854 H VAL 119 HN VAL 119 -27.147 17.734 23.392 855 HA VAL 119 HA VAL 119 -28.206 18.845 20.888 856 HB VAL 119 HB VAL 119 -30.354 17.719 21.625 857 1HG1 VAL 119 HG11 VAL 119 -29.764 15.695 20.633 858 2HG1 VAL 119 HG12 VAL 119 -28.135 15.729 21.308 859 3HG1 VAL 119 HG13 VAL 119 -28.570 16.829 20.000 860 1HG2 VAL 119 HG21 VAL 119 -29.566 17.540 24.031 861 2HG2 VAL 119 HG22 VAL 119 -28.575 16.182 23.499 862 3HG2 VAL 119 HG23 VAL 119 -30.330 16.106 23.346 863 H30 IMY 120 1H30 IMY 120 4.373 -14.443 -13.340 864 1H30 IMY 120 2H30 IMY 120 3.848 -15.214 -11.790 865 2H30 IMY 120 3H30 IMY 120 5.359 -15.697 -12.572 866 H26 IMY 120 H26 IMY 120 2.739 -13.294 -11.685 867 H25 IMY 120 H25 IMY 120 1.796 -11.154 -11.048 868 H31 IMY 120 H31 IMY 120 7.871 -9.952 -10.449 869 1H32 IMY 120 1H32 IMY 120 7.219 -8.083 -8.079 870 2H32 IMY 120 2H32 IMY 120 8.838 -8.552 -8.622 871 3H32 IMY 120 3H32 IMY 120 7.820 -7.492 -9.617 872 1H33 IMY 120 1H33 IMY 120 6.730 -11.635 -9.103 873 2H33 IMY 120 2H33 IMY 120 8.102 -10.970 -8.201 874 3H33 IMY 120 3H33 IMY 120 6.433 -10.481 -7.812 875 H28 IMY 120 H28 IMY 120 6.692 -11.854 -10.927 876 H4 IMY 120 H4 IMY 120 0.864 -7.357 -10.388 877 H3 IMY 120 H3 IMY 120 2.489 -5.964 -9.441 878 H18 IMY 120 H18 IMY 120 4.039 -8.855 -7.556 879 H17 IMY 120 H17 IMY 120 4.384 -8.854 -5.145 880 H15 IMY 120 H15 IMY 120 2.282 -5.175 -4.756 881 H14 IMY 120 H14 IMY 120 1.869 -5.121 -7.187 882 H20 IMY 120 H20 IMY 120 -1.060 -6.244 -9.504 883 H21 IMY 120 H21 IMY 120 -2.980 -6.296 -7.997 884 H23 IMY 120 H23 IMY 120 -1.095 -9.366 -5.654 885 H24 IMY 120 H24 IMY 120 0.768 -9.443 -7.223 Start of MODEL 15 1 1H ASN 13 HT1 ASN 13 -19.536 20.851 -1.859 2 2H ASN 13 HT2 ASN 13 -19.596 21.495 -0.269 3 3H ASN 13 HT3 ASN 13 -18.210 20.631 -0.796 4 HA ASN 13 HA ASN 13 -18.007 22.368 -2.567 5 1HB ASN 13 HB2 ASN 13 -20.280 23.312 -0.954 6 2HB ASN 13 HB1 ASN 13 -19.058 24.541 -1.266 7 1HD2 ASN 13 HD21 ASN 13 -18.276 24.484 -3.638 8 2HD2 ASN 13 HD22 ASN 13 -19.533 24.429 -4.822 9 H HIS 14 HN HIS 14 -18.273 22.477 0.962 10 HA HIS 14 HA HIS 14 -15.860 24.071 1.190 11 1HB HIS 14 HB2 HIS 14 -18.032 23.215 2.993 12 2HB HIS 14 HB1 HIS 14 -16.442 23.322 3.743 13 HD1 HIS 14 HD1 HIS 14 -15.254 25.720 3.560 14 HD2 HIS 14 HD2 HIS 14 -19.300 25.608 2.625 15 HE1 HIS 14 HE1 HIS 14 -16.030 28.110 3.648 16 HE2 HIS 14 HE2 HIS 14 -18.450 28.028 2.953 17 H ILE 15 HN ILE 15 -13.929 23.387 2.128 18 HA ILE 15 HA ILE 15 -13.629 20.503 2.592 19 HB ILE 15 HB ILE 15 -11.580 22.076 1.040 20 1HG1 ILE 15 HG12 ILE 15 -12.680 20.373 -0.790 21 2HG1 ILE 15 HG11 ILE 15 -14.102 20.849 0.133 22 1HG2 ILE 15 HG21 ILE 15 -11.975 19.199 1.752 23 2HG2 ILE 15 HG22 ILE 15 -10.537 20.206 1.919 24 3HG2 ILE 15 HG23 ILE 15 -11.042 19.647 0.324 25 1HD1 ILE 15 HD11 ILE 15 -13.983 23.023 -0.552 26 2HD1 ILE 15 HD12 ILE 15 -13.327 22.202 -1.968 27 3HD1 ILE 15 HD13 ILE 15 -12.240 22.965 -0.808 28 H SER 16 HN SER 16 -11.554 19.981 3.735 29 HA SER 16 HA SER 16 -10.620 22.231 5.386 30 1HB SER 16 HB2 SER 16 -11.252 19.427 6.341 31 2HB SER 16 HB1 SER 16 -10.529 20.698 7.326 32 HG SER 16 HG SER 16 -13.146 20.435 6.387 33 H THR 17 HN THR 17 -8.781 22.391 4.042 34 HA THR 17 HA THR 17 -6.592 22.049 3.538 35 HB THR 17 HB THR 17 -6.701 19.903 5.666 36 HG1 THR 17 HG1 THR 17 -6.123 22.670 5.807 37 1HG2 THR 17 HG21 THR 17 -4.597 20.646 3.933 38 2HG2 THR 17 HG22 THR 17 -4.561 19.529 5.298 39 3HG2 THR 17 HG23 THR 17 -4.207 21.238 5.548 40 H SER 18 HN SER 18 -7.569 18.723 4.366 41 HA SER 18 HA SER 18 -6.880 17.947 1.610 42 1HB SER 18 HB2 SER 18 -6.416 16.662 4.244 43 2HB SER 18 HB1 SER 18 -6.836 15.588 2.910 44 HG SER 18 HG SER 18 -4.807 17.547 2.697 45 H ASP 19 HN ASP 19 -8.616 17.625 0.397 46 HA ASP 19 HA ASP 19 -11.231 17.327 1.331 47 1HB ASP 19 HB2 ASP 19 -11.751 16.594 -1.006 48 2HB ASP 19 HB1 ASP 19 -10.831 18.094 -0.915 49 H GLN 20 HN GLN 20 -8.741 14.965 0.713 50 HA GLN 20 HA GLN 20 -10.580 12.730 0.933 51 1HB GLN 20 HB2 GLN 20 -7.569 12.602 0.859 52 2HB GLN 20 HB1 GLN 20 -8.713 11.334 0.442 53 1HG GLN 20 HG2 GLN 20 -8.725 11.986 -1.667 54 2HG GLN 20 HG1 GLN 20 -9.218 13.611 -1.196 55 1HE2 GLN 20 HE21 GLN 20 -7.664 15.210 -0.950 56 2HE2 GLN 20 HE22 GLN 20 -6.058 15.039 -1.563 57 H GLU 21 HN GLU 21 -10.797 11.385 2.667 58 HA GLU 21 HA GLU 21 -9.158 11.946 5.040 59 1HB GLU 21 HB2 GLU 21 -12.150 11.906 4.828 60 2HB GLU 21 HB1 GLU 21 -11.368 11.465 6.339 61 1HG GLU 21 HG2 GLU 21 -10.096 13.766 5.844 62 2HG GLU 21 HG1 GLU 21 -11.624 14.093 5.028 63 H LYS 22 HN LYS 22 -9.750 10.180 6.797 64 HA LYS 22 HA LYS 22 -9.679 7.980 7.418 65 1HB LYS 22 HB2 LYS 22 -10.750 7.336 4.683 66 2HB LYS 22 HB1 LYS 22 -10.865 6.345 6.132 67 1HG LYS 22 HG2 LYS 22 -12.048 8.932 6.575 68 2HG LYS 22 HG1 LYS 22 -12.751 8.156 5.155 69 1HD LYS 22 HD2 LYS 22 -13.791 6.587 6.383 70 2HD LYS 22 HD1 LYS 22 -12.403 6.368 7.450 71 1HE LYS 22 HE2 LYS 22 -13.745 7.330 8.980 72 2HE LYS 22 HE1 LYS 22 -13.223 8.827 8.207 73 1HZ LYS 22 HZ1 LYS 22 -15.279 8.187 6.662 74 2HZ LYS 22 HZ2 LYS 22 -15.435 9.141 8.050 75 3HZ LYS 22 HZ3 LYS 22 -15.804 7.492 8.113 76 H LEU 23 HN LEU 23 -7.725 9.373 5.391 77 HA LEU 23 HA LEU 23 -6.452 7.299 3.966 78 1HB LEU 23 HB2 LEU 23 -4.779 9.580 4.815 79 2HB LEU 23 HB1 LEU 23 -4.981 8.864 3.231 80 HG LEU 23 HG LEU 23 -7.423 10.087 3.670 81 1HD1 LEU 23 HD11 LEU 23 -5.487 12.225 4.344 82 2HD1 LEU 23 HD12 LEU 23 -5.991 11.151 5.649 83 3HD1 LEU 23 HD13 LEU 23 -7.197 12.073 4.750 84 1HD2 LEU 23 HD21 LEU 23 -5.574 11.855 2.337 85 2HD2 LEU 23 HD22 LEU 23 -6.915 10.921 1.674 86 3HD2 LEU 23 HD23 LEU 23 -5.323 10.183 1.838 87 H VAL 24 HN VAL 24 -4.069 6.820 4.321 88 HA VAL 24 HA VAL 24 -3.591 6.253 7.170 89 HB VAL 24 HB VAL 24 -2.107 4.336 6.121 90 1HG1 VAL 24 HG11 VAL 24 -3.829 3.862 7.684 91 2HG1 VAL 24 HG12 VAL 24 -4.092 2.807 6.295 92 3HG1 VAL 24 HG13 VAL 24 -5.089 4.245 6.511 93 1HG2 VAL 24 HG21 VAL 24 -2.388 4.708 3.812 94 2HG2 VAL 24 HG22 VAL 24 -4.132 4.906 3.970 95 3HG2 VAL 24 HG23 VAL 24 -3.405 3.314 4.178 96 H GLN 25 HN GLN 25 -1.233 6.035 7.715 97 HA GLN 25 HA GLN 25 0.418 7.735 5.966 98 1HB GLN 25 HB2 GLN 25 -0.327 9.012 7.916 99 2HB GLN 25 HB1 GLN 25 0.324 7.779 8.984 100 1HG GLN 25 HG2 GLN 25 2.032 9.258 9.065 101 2HG GLN 25 HG1 GLN 25 2.546 8.323 7.662 102 1HE2 GLN 25 HE21 GLN 25 3.608 9.845 6.531 103 2HE2 GLN 25 HE22 GLN 25 2.893 11.298 5.930 104 HA PRO 26 HA PRO 26 2.709 3.788 6.324 105 1HB PRO 26 HB2 PRO 26 4.191 5.075 4.104 106 2HB PRO 26 HB1 PRO 26 3.478 3.462 4.192 107 1HG PRO 26 HG2 PRO 26 2.358 5.374 2.708 108 2HG PRO 26 HG1 PRO 26 1.362 4.224 3.620 109 1HD PRO 26 HD2 PRO 26 2.051 7.067 4.267 110 2HD PRO 26 HD1 PRO 26 0.504 6.213 4.450 111 H THR 27 HN THR 27 4.626 3.377 7.327 112 HA THR 27 HA THR 27 5.952 5.411 8.719 113 HB THR 27 HB THR 27 7.800 3.520 8.850 114 HG1 THR 27 HG1 THR 27 7.136 2.129 7.319 115 1HG2 THR 27 HG21 THR 27 6.382 2.253 10.493 116 2HG2 THR 27 HG22 THR 27 5.063 3.344 10.067 117 3HG2 THR 27 HG23 THR 27 6.540 3.985 10.786 118 HA PRO 28 HA PRO 28 9.000 7.302 6.181 119 1HB PRO 28 HB2 PRO 28 11.368 6.326 7.401 120 2HB PRO 28 HB1 PRO 28 10.559 7.861 7.718 121 1HG PRO 28 HG2 PRO 28 10.427 5.308 9.222 122 2HG PRO 28 HG1 PRO 28 10.261 6.972 9.806 123 1HD PRO 28 HD2 PRO 28 8.141 5.341 9.577 124 2HD PRO 28 HD1 PRO 28 8.017 7.081 9.235 125 H LEU 29 HN LEU 29 9.369 3.889 6.896 126 HA LEU 29 HA LEU 29 11.163 3.338 4.737 127 1HB LEU 29 HB2 LEU 29 11.116 1.880 6.663 128 2HB LEU 29 HB1 LEU 29 9.414 1.543 6.416 129 HG LEU 29 HG LEU 29 9.878 0.278 4.426 130 1HD1 LEU 29 HD11 LEU 29 11.576 1.101 3.199 131 2HD1 LEU 29 HD12 LEU 29 12.535 -0.062 4.115 132 3HD1 LEU 29 HD13 LEU 29 12.486 1.628 4.615 133 1HD2 LEU 29 HD21 LEU 29 11.305 -1.511 5.358 134 2HD2 LEU 29 HD22 LEU 29 10.085 -0.942 6.496 135 3HD2 LEU 29 HD23 LEU 29 11.762 -0.427 6.671 136 H LEU 30 HN LEU 30 7.783 2.307 5.260 137 HA LEU 30 HA LEU 30 7.277 1.482 2.652 138 1HB LEU 30 HB2 LEU 30 5.838 1.052 4.653 139 2HB LEU 30 HB1 LEU 30 5.281 2.711 4.554 140 HG LEU 30 HG LEU 30 4.205 2.299 2.443 141 1HD1 LEU 30 HD11 LEU 30 5.401 -0.464 2.595 142 2HD1 LEU 30 HD12 LEU 30 5.833 0.804 1.448 143 3HD1 LEU 30 HD13 LEU 30 4.227 0.078 1.397 144 1HD2 LEU 30 HD21 LEU 30 3.268 1.421 4.747 145 2HD2 LEU 30 HD22 LEU 30 3.438 -0.145 3.954 146 3HD2 LEU 30 HD23 LEU 30 2.425 1.104 3.231 147 H LEU 31 HN LEU 31 7.265 4.656 4.080 148 HA LEU 31 HA LEU 31 5.821 6.123 2.229 149 1HB LEU 31 HB2 LEU 31 7.643 6.646 4.359 150 2HB LEU 31 HB1 LEU 31 8.101 7.648 2.997 151 HG LEU 31 HG LEU 31 5.452 7.614 4.432 152 1HD1 LEU 31 HD11 LEU 31 7.676 8.942 5.103 153 2HD1 LEU 31 HD12 LEU 31 6.054 9.587 5.351 154 3HD1 LEU 31 HD13 LEU 31 6.995 10.082 3.944 155 1HD2 LEU 31 HD21 LEU 31 4.853 7.842 2.165 156 2HD2 LEU 31 HD22 LEU 31 6.232 8.887 1.824 157 3HD2 LEU 31 HD23 LEU 31 4.897 9.481 2.811 158 H SER 32 HN SER 32 9.382 5.886 2.285 159 HA SER 32 HA SER 32 9.945 7.041 -0.129 160 1HB SER 32 HB2 SER 32 12.063 6.347 0.260 161 2HB SER 32 HB1 SER 32 11.414 5.768 1.791 162 HG SER 32 HG SER 32 12.608 4.323 0.038 163 H LEU 33 HN LEU 33 8.959 3.680 0.446 164 HA LEU 33 HA LEU 33 9.409 2.672 -2.109 165 1HB LEU 33 HB2 LEU 33 6.966 1.871 -0.579 166 2HB LEU 33 HB1 LEU 33 8.023 0.881 -1.561 167 HG LEU 33 HG LEU 33 8.560 1.922 1.215 168 1HD1 LEU 33 HD11 LEU 33 7.246 -0.316 0.447 169 2HD1 LEU 33 HD12 LEU 33 8.163 -0.165 1.946 170 3HD1 LEU 33 HD13 LEU 33 8.903 -0.913 0.531 171 1HD2 LEU 33 HD21 LEU 33 10.431 0.583 -0.730 172 2HD2 LEU 33 HD22 LEU 33 10.730 0.699 1.005 173 3HD2 LEU 33 HD23 LEU 33 10.618 2.164 0.030 174 H LEU 34 HN LEU 34 6.650 4.456 -0.819 175 HA LEU 34 HA LEU 34 5.137 4.346 -3.247 176 1HB LEU 34 HB2 LEU 34 4.866 6.377 -1.027 177 2HB LEU 34 HB1 LEU 34 3.645 5.908 -2.191 178 HG LEU 34 HG LEU 34 4.736 4.153 0.008 179 1HD1 LEU 34 HD11 LEU 34 3.302 5.953 0.830 180 2HD1 LEU 34 HD12 LEU 34 2.520 4.381 0.990 181 3HD1 LEU 34 HD13 LEU 34 2.045 5.473 -0.309 182 1HD2 LEU 34 HD21 LEU 34 3.710 3.335 -2.391 183 2HD2 LEU 34 HD22 LEU 34 2.279 3.366 -1.361 184 3HD2 LEU 34 HD23 LEU 34 3.679 2.398 -0.896 185 H LYS 35 HN LYS 35 7.309 6.632 -1.699 186 HA LYS 35 HA LYS 35 7.087 8.838 -3.327 187 1HB LYS 35 HB2 LYS 35 9.564 7.651 -2.066 188 2HB LYS 35 HB1 LYS 35 9.482 9.267 -2.741 189 1HG LYS 35 HG2 LYS 35 7.942 8.210 -0.385 190 2HG LYS 35 HG1 LYS 35 9.250 9.394 -0.361 191 1HD LYS 35 HD2 LYS 35 7.672 10.717 -1.980 192 2HD LYS 35 HD1 LYS 35 6.420 9.702 -1.261 193 1HE LYS 35 HE2 LYS 35 6.587 11.794 -0.051 194 2HE LYS 35 HE1 LYS 35 7.113 10.460 0.972 195 1HZ LYS 35 HZ1 LYS 35 9.189 11.793 -0.566 196 2HZ LYS 35 HZ2 LYS 35 9.221 11.215 1.024 197 3HZ LYS 35 HZ3 LYS 35 8.494 12.703 0.680 198 H SER 36 HN SER 36 9.054 5.938 -3.826 199 HA SER 36 HA SER 36 9.997 6.865 -6.399 200 1HB SER 36 HB2 SER 36 10.868 4.965 -4.484 201 2HB SER 36 HB1 SER 36 10.534 4.077 -5.970 202 HG SER 36 HG SER 36 11.903 5.543 -7.063 203 H ALA 37 HN ALA 37 7.407 4.946 -5.163 204 HA ALA 37 HA ALA 37 6.900 3.502 -7.592 205 1HB ALA 37 HB1 ALA 37 4.932 2.674 -6.489 206 2HB ALA 37 HB2 ALA 37 5.060 3.911 -5.239 207 3HB ALA 37 HB3 ALA 37 6.280 2.643 -5.354 208 H GLY 38 HN GLY 38 6.546 6.701 -6.891 209 1HA GLY 38 HA2 GLY 38 5.620 8.107 -8.647 210 2HA GLY 38 HA1 GLY 38 4.309 6.947 -8.799 211 H ALA 39 HN ALA 39 5.271 7.582 -5.594 212 HA ALA 39 HA ALA 39 2.817 9.105 -5.167 213 1HB ALA 39 HB1 ALA 39 2.621 8.027 -3.217 214 2HB ALA 39 HB2 ALA 39 4.307 8.309 -2.784 215 3HB ALA 39 HB3 ALA 39 3.876 6.955 -3.829 216 H GLN 40 HN GLN 40 2.835 11.136 -4.000 217 HA GLN 40 HA GLN 40 5.497 12.391 -3.889 218 1HB GLN 40 HB2 GLN 40 2.801 13.630 -4.452 219 2HB GLN 40 HB1 GLN 40 4.285 14.547 -4.230 220 1HG GLN 40 HG2 GLN 40 4.088 12.409 -6.314 221 2HG GLN 40 HG1 GLN 40 3.491 14.040 -6.615 222 1HE2 GLN 40 HE21 GLN 40 5.126 15.784 -5.968 223 2HE2 GLN 40 HE22 GLN 40 6.752 15.515 -6.485 224 H LYS 41 HN LYS 41 2.293 13.159 -2.528 225 HA LYS 41 HA LYS 41 3.130 14.462 -0.267 226 1HB LYS 41 HB2 LYS 41 0.946 13.780 0.751 227 2HB LYS 41 HB1 LYS 41 0.816 14.486 -0.852 228 1HG LYS 41 HG2 LYS 41 1.018 11.538 -0.688 229 2HG LYS 41 HG1 LYS 41 -0.483 12.285 -0.142 230 1HD LYS 41 HD2 LYS 41 -0.140 13.608 -2.451 231 2HD LYS 41 HD1 LYS 41 0.664 12.090 -2.858 232 1HE LYS 41 HE2 LYS 41 -1.437 10.955 -1.927 233 2HE LYS 41 HE1 LYS 41 -2.188 12.546 -2.040 234 1HZ LYS 41 HZ1 LYS 41 -1.437 12.521 -4.438 235 2HZ LYS 41 HZ2 LYS 41 -2.693 11.461 -4.037 236 3HZ LYS 41 HZ3 LYS 41 -1.121 10.871 -4.234 237 H GLU 42 HN GLU 42 2.613 13.589 2.059 238 HA GLU 42 HA GLU 42 4.396 11.315 2.449 239 1HB GLU 42 HB2 GLU 42 4.386 12.002 4.820 240 2HB GLU 42 HB1 GLU 42 4.864 13.309 3.747 241 1HG GLU 42 HG2 GLU 42 1.997 13.183 4.378 242 2HG GLU 42 HG1 GLU 42 3.062 13.552 5.734 243 H THR 43 HN THR 43 1.046 12.196 2.813 244 HA THR 43 HA THR 43 0.495 9.584 4.058 245 HB THR 43 HB THR 43 -1.693 11.550 3.922 246 HG1 THR 43 HG1 THR 43 0.523 12.027 5.622 247 1HG2 THR 43 HG21 THR 43 -2.199 9.756 5.277 248 2HG2 THR 43 HG22 THR 43 -1.688 10.986 6.433 249 3HG2 THR 43 HG23 THR 43 -0.580 9.694 5.974 250 H PHE 44 HN PHE 44 -1.241 8.312 3.248 251 HA PHE 44 HA PHE 44 -2.445 9.088 0.717 252 1HB PHE 44 HB2 PHE 44 -0.824 6.549 0.952 253 2HB PHE 44 HB1 PHE 44 -1.707 7.097 -0.467 254 HD1 PHE 44 HD1 PHE 44 1.185 7.795 1.714 255 HD2 PHE 44 HD2 PHE 44 -0.747 8.615 -1.988 256 HE1 PHE 44 HE1 PHE 44 3.216 8.928 0.908 257 HE2 PHE 44 HE2 PHE 44 1.279 9.755 -2.793 258 HZ PHE 44 HZ PHE 44 3.261 9.913 -1.347 259 H THR 45 HN THR 45 -4.302 7.906 0.188 260 HA THR 45 HA THR 45 -5.611 6.657 2.425 261 HB THR 45 HB THR 45 -7.476 6.332 0.702 262 HG1 THR 45 HG1 THR 45 -7.182 7.039 -1.267 263 1HG2 THR 45 HG21 THR 45 -6.862 9.209 0.646 264 2HG2 THR 45 HG22 THR 45 -6.963 8.460 2.239 265 3HG2 THR 45 HG23 THR 45 -8.332 8.365 1.132 266 H MET 46 HN MET 46 -6.431 4.501 2.456 267 HA MET 46 HA MET 46 -4.697 2.504 1.907 268 1HB MET 46 HB2 MET 46 -7.221 2.652 2.968 269 2HB MET 46 HB1 MET 46 -7.470 1.638 1.551 270 1HG MET 46 HG2 MET 46 -6.967 0.094 3.179 271 2HG MET 46 HG1 MET 46 -5.410 0.361 2.399 272 1HE MET 46 HE1 MET 46 -3.509 0.981 3.240 273 2HE MET 46 HE2 MET 46 -3.554 -0.178 4.571 274 3HE MET 46 HE3 MET 46 -3.097 1.497 4.878 275 H LYS 47 HN LYS 47 -6.910 3.969 -0.364 276 HA LYS 47 HA LYS 47 -6.681 1.917 -2.342 277 1HB LYS 47 HB2 LYS 47 -8.199 4.282 -1.997 278 2HB LYS 47 HB1 LYS 47 -7.311 4.473 -3.502 279 1HG LYS 47 HG2 LYS 47 -9.378 3.500 -4.068 280 2HG LYS 47 HG1 LYS 47 -8.183 2.205 -4.169 281 1HD LYS 47 HD2 LYS 47 -10.215 1.434 -3.060 282 2HD LYS 47 HD1 LYS 47 -8.845 1.421 -1.947 283 1HE LYS 47 HE2 LYS 47 -9.601 3.361 -0.837 284 2HE LYS 47 HE1 LYS 47 -10.760 3.731 -2.113 285 1HZ LYS 47 HZ1 LYS 47 -10.978 1.872 0.109 286 2HZ LYS 47 HZ2 LYS 47 -11.620 1.337 -1.361 287 3HZ LYS 47 HZ3 LYS 47 -12.178 2.776 -0.669 288 H GLU 48 HN GLU 48 -5.294 5.199 -2.083 289 HA GLU 48 HA GLU 48 -3.619 4.953 -4.338 290 1HB GLU 48 HB2 GLU 48 -3.018 6.689 -1.953 291 2HB GLU 48 HB1 GLU 48 -2.581 6.964 -3.632 292 1HG GLU 48 HG2 GLU 48 -5.400 6.768 -3.506 293 2HG GLU 48 HG1 GLU 48 -4.876 7.852 -2.219 294 H VAL 49 HN VAL 49 -3.031 4.424 -0.879 295 HA VAL 49 HA VAL 49 -0.311 3.886 -0.944 296 HB VAL 49 HB VAL 49 -2.252 2.344 0.776 297 1HG1 VAL 49 HG11 VAL 49 -0.268 1.458 1.378 298 2HG1 VAL 49 HG12 VAL 49 -0.139 2.930 2.342 299 3HG1 VAL 49 HG13 VAL 49 0.653 2.833 0.769 300 1HG2 VAL 49 HG21 VAL 49 -2.096 5.129 0.617 301 2HG2 VAL 49 HG22 VAL 49 -1.175 4.693 2.054 302 3HG2 VAL 49 HG23 VAL 49 -2.852 4.173 1.890 303 H LEU 50 HN LEU 50 -2.941 1.493 -1.038 304 HA LEU 50 HA LEU 50 -1.336 -0.715 -1.670 305 1HB LEU 50 HB2 LEU 50 -3.969 -0.309 -1.060 306 2HB LEU 50 HB1 LEU 50 -4.071 -0.755 -2.751 307 HG LEU 50 HG LEU 50 -2.588 -2.423 -0.729 308 1HD1 LEU 50 HD11 LEU 50 -4.801 -3.842 -1.078 309 2HD1 LEU 50 HD12 LEU 50 -5.493 -2.234 -1.288 310 3HD1 LEU 50 HD13 LEU 50 -4.648 -2.642 0.205 311 1HD2 LEU 50 HD21 LEU 50 -2.039 -2.828 -3.069 312 2HD2 LEU 50 HD22 LEU 50 -3.749 -3.053 -3.440 313 3HD2 LEU 50 HD23 LEU 50 -2.918 -4.193 -2.379 314 H TYR 51 HN TYR 51 -2.355 1.919 -3.609 315 HA TYR 51 HA TYR 51 -2.254 0.545 -6.126 316 1HB TYR 51 HB2 TYR 51 -3.563 2.699 -5.537 317 2HB TYR 51 HB1 TYR 51 -2.037 3.527 -5.822 318 HD1 TYR 51 HD1 TYR 51 -4.642 1.431 -7.397 319 HD2 TYR 51 HD2 TYR 51 -1.246 3.914 -8.028 320 HE1 TYR 51 HE1 TYR 51 -5.120 1.461 -9.809 321 HE2 TYR 51 HE2 TYR 51 -1.714 3.951 -10.442 322 HH TYR 51 HH TYR 51 -4.001 1.856 -11.903 323 H HIS 52 HN HIS 52 -0.142 3.026 -4.618 324 HA HIS 52 HA HIS 52 1.863 2.772 -6.612 325 1HB HIS 52 HB2 HIS 52 2.499 3.737 -3.847 326 2HB HIS 52 HB1 HIS 52 3.130 4.294 -5.388 327 HD1 HIS 52 HD1 HIS 52 1.272 5.637 -6.898 328 HD2 HIS 52 HD2 HIS 52 0.573 5.332 -2.814 329 HE1 HIS 52 HE1 HIS 52 -0.374 7.458 -6.360 330 HE2 HIS 52 HE2 HIS 52 -0.669 7.343 -3.862 331 H LEU 53 HN LEU 53 1.269 1.163 -3.558 332 HA LEU 53 HA LEU 53 3.791 0.012 -3.195 333 1HB LEU 53 HB2 LEU 53 2.185 0.066 -1.410 334 2HB LEU 53 HB1 LEU 53 1.033 -0.865 -2.351 335 HG LEU 53 HG LEU 53 2.573 -2.775 -2.292 336 1HD1 LEU 53 HD11 LEU 53 4.717 -2.067 -1.985 337 2HD1 LEU 53 HD12 LEU 53 4.315 -2.481 -0.317 338 3HD1 LEU 53 HD13 LEU 53 4.250 -0.800 -0.850 339 1HD2 LEU 53 HD21 LEU 53 0.843 -2.836 -0.697 340 2HD2 LEU 53 HD22 LEU 53 1.610 -1.595 0.296 341 3HD2 LEU 53 HD23 LEU 53 2.315 -3.209 0.200 342 H GLY 54 HN GLY 54 0.907 -1.094 -4.941 343 1HA GLY 54 HA2 GLY 54 1.905 -3.641 -5.656 344 2HA GLY 54 HA1 GLY 54 0.634 -2.765 -6.502 345 H GLN 55 HN GLN 55 2.197 -0.461 -7.118 346 HA GLN 55 HA GLN 55 3.486 -1.397 -9.497 347 1HB GLN 55 HB2 GLN 55 3.417 1.381 -8.299 348 2HB GLN 55 HB1 GLN 55 3.929 0.978 -9.932 349 1HG GLN 55 HG2 GLN 55 1.704 0.253 -10.500 350 2HG GLN 55 HG1 GLN 55 1.166 0.503 -8.840 351 1HE2 GLN 55 HE21 GLN 55 0.514 2.478 -8.217 352 2HE2 GLN 55 HE22 GLN 55 0.526 3.880 -9.227 353 H TYR 56 HN TYR 56 4.470 -0.492 -6.298 354 HA TYR 56 HA TYR 56 7.184 0.073 -6.776 355 1HB TYR 56 HB2 TYR 56 6.227 0.679 -4.659 356 2HB TYR 56 HB1 TYR 56 5.742 -0.980 -4.337 357 HD1 TYR 56 HD1 TYR 56 8.513 1.402 -4.301 358 HD2 TYR 56 HD2 TYR 56 7.376 -2.640 -3.622 359 HE1 TYR 56 HE1 TYR 56 10.634 1.009 -3.118 360 HE2 TYR 56 HE2 TYR 56 9.483 -3.039 -2.426 361 HH TYR 56 HH TYR 56 11.704 -2.131 -2.256 362 H ILE 57 HN ILE 57 5.408 -2.913 -6.388 363 HA ILE 57 HA ILE 57 7.708 -4.588 -6.093 364 HB ILE 57 HB ILE 57 4.935 -5.400 -6.965 365 1HG1 ILE 57 HG12 ILE 57 6.089 -5.219 -4.173 366 2HG1 ILE 57 HG11 ILE 57 4.877 -4.135 -4.849 367 1HG2 ILE 57 HG21 ILE 57 7.177 -6.902 -6.991 368 2HG2 ILE 57 HG22 ILE 57 5.559 -7.548 -6.715 369 3HG2 ILE 57 HG23 ILE 57 6.613 -7.194 -5.345 370 1HD1 ILE 57 HD11 ILE 57 4.121 -6.043 -3.308 371 2HD1 ILE 57 HD12 ILE 57 4.383 -7.078 -4.712 372 3HD1 ILE 57 HD13 ILE 57 3.223 -5.753 -4.798 373 H MET 58 HN MET 58 5.405 -4.073 -8.777 374 HA MET 58 HA MET 58 6.698 -5.686 -10.647 375 1HB MET 58 HB2 MET 58 5.428 -4.517 -12.340 376 2HB MET 58 HB1 MET 58 4.416 -4.767 -10.924 377 1HG MET 58 HG2 MET 58 4.952 -2.429 -10.233 378 2HG MET 58 HG1 MET 58 5.750 -2.217 -11.789 379 1HE MET 58 HE1 MET 58 4.189 -0.145 -11.569 380 2HE MET 58 HE2 MET 58 2.647 -0.112 -12.423 381 3HE MET 58 HE3 MET 58 4.132 -0.477 -13.300 382 H ALA 59 HN ALA 59 7.164 -2.252 -9.903 383 HA ALA 59 HA ALA 59 8.987 -1.696 -11.975 384 1HB ALA 59 HB1 ALA 59 9.720 0.008 -9.947 385 2HB ALA 59 HB2 ALA 59 8.042 -0.367 -9.559 386 3HB ALA 59 HB3 ALA 59 8.452 0.306 -11.136 387 H LYS 60 HN LYS 60 9.650 -2.298 -8.514 388 HA LYS 60 HA LYS 60 12.441 -2.504 -8.818 389 1HB LYS 60 HB2 LYS 60 10.451 -3.119 -6.710 390 2HB LYS 60 HB1 LYS 60 11.996 -3.946 -6.585 391 1HG LYS 60 HG2 LYS 60 11.799 -1.802 -5.313 392 2HG LYS 60 HG1 LYS 60 13.182 -1.912 -6.400 393 1HD LYS 60 HD2 LYS 60 12.450 0.176 -6.948 394 2HD LYS 60 HD1 LYS 60 11.459 -0.756 -8.069 395 1HE LYS 60 HE2 LYS 60 9.932 -0.762 -5.800 396 2HE LYS 60 HE1 LYS 60 10.684 0.831 -5.737 397 1HZ LYS 60 HZ1 LYS 60 9.944 0.951 -8.193 398 2HZ LYS 60 HZ2 LYS 60 8.800 1.215 -6.974 399 3HZ LYS 60 HZ3 LYS 60 8.864 -0.279 -7.765 400 H GLN 61 HN GLN 61 9.864 -4.748 -9.362 401 HA GLN 61 HA GLN 61 9.831 -6.827 -10.281 402 1HB GLN 61 HB2 GLN 61 11.868 -5.782 -11.552 403 2HB GLN 61 HB1 GLN 61 12.816 -6.858 -10.534 404 1HG GLN 61 HG2 GLN 61 12.478 -8.439 -12.044 405 2HG GLN 61 HG1 GLN 61 10.788 -8.463 -11.543 406 1HE2 GLN 61 HE21 GLN 61 9.856 -6.107 -12.524 407 2HE2 GLN 61 HE22 GLN 61 9.939 -6.106 -14.249 408 H LEU 62 HN LEU 62 9.411 -7.060 -7.815 409 HA LEU 62 HA LEU 62 11.449 -8.744 -6.552 410 1HB LEU 62 HB2 LEU 62 8.889 -7.729 -5.330 411 2HB LEU 62 HB1 LEU 62 10.265 -8.421 -4.494 412 HG LEU 62 HG LEU 62 10.192 -5.752 -5.903 413 1HD1 LEU 62 HD11 LEU 62 10.362 -6.505 -2.989 414 2HD1 LEU 62 HD12 LEU 62 9.006 -5.719 -3.800 415 3HD1 LEU 62 HD13 LEU 62 10.543 -4.870 -3.627 416 1HD2 LEU 62 HD21 LEU 62 12.379 -7.128 -5.948 417 2HD2 LEU 62 HD22 LEU 62 12.456 -6.759 -4.225 418 3HD2 LEU 62 HD23 LEU 62 12.439 -5.452 -5.406 419 H TYR 63 HN TYR 63 8.824 -9.145 -8.519 420 HA TYR 63 HA TYR 63 7.636 -11.422 -7.222 421 1HB TYR 63 HB2 TYR 63 6.352 -11.641 -9.336 422 2HB TYR 63 HB1 TYR 63 6.245 -10.030 -8.635 423 HD1 TYR 63 HD1 TYR 63 8.056 -11.992 -11.228 424 HD2 TYR 63 HD2 TYR 63 6.779 -8.151 -9.916 425 HE1 TYR 63 HE1 TYR 63 8.810 -11.021 -13.357 426 HE2 TYR 63 HE2 TYR 63 7.530 -7.169 -12.042 427 HH TYR 63 HH TYR 63 9.454 -8.910 -14.295 428 H ASP 64 HN ASP 64 7.611 -13.574 -8.130 429 HA ASP 64 HA ASP 64 10.244 -14.335 -9.101 430 1HB ASP 64 HB2 ASP 64 9.235 -15.550 -7.203 431 2HB ASP 64 HB1 ASP 64 7.911 -16.062 -8.245 432 H GLU 65 HN GLU 65 10.646 -15.466 -10.990 433 HA GLU 65 HA GLU 65 9.024 -14.849 -13.213 434 1HB GLU 65 HB2 GLU 65 11.487 -16.420 -12.728 435 2HB GLU 65 HB1 GLU 65 10.572 -16.854 -14.166 436 1HG GLU 65 HG2 GLU 65 11.564 -14.090 -13.505 437 2HG GLU 65 HG1 GLU 65 12.334 -15.214 -14.624 438 H LYS 66 HN LYS 66 9.611 -17.951 -11.548 439 HA LYS 66 HA LYS 66 7.945 -19.565 -13.058 440 1HB LYS 66 HB2 LYS 66 8.388 -19.723 -10.069 441 2HB LYS 66 HB1 LYS 66 7.819 -21.029 -11.101 442 1HG LYS 66 HG2 LYS 66 9.955 -21.649 -11.194 443 2HG LYS 66 HG1 LYS 66 10.159 -20.306 -12.319 444 1HD LYS 66 HD2 LYS 66 10.437 -18.959 -10.042 445 2HD LYS 66 HD1 LYS 66 10.958 -20.545 -9.470 446 1HE LYS 66 HE2 LYS 66 12.950 -19.638 -10.187 447 2HE LYS 66 HE1 LYS 66 12.432 -20.523 -11.621 448 1HZ LYS 66 HZ1 LYS 66 12.218 -17.607 -11.129 449 2HZ LYS 66 HZ2 LYS 66 11.447 -18.388 -12.416 450 3HZ LYS 66 HZ3 LYS 66 13.136 -18.388 -12.316 451 H GLN 67 HN GLN 67 7.069 -18.120 -9.913 452 HA GLN 67 HA GLN 67 4.254 -18.222 -10.727 453 1HB GLN 67 HB2 GLN 67 5.536 -17.859 -8.012 454 2HB GLN 67 HB1 GLN 67 3.807 -17.788 -8.304 455 1HG GLN 67 HG2 GLN 67 5.641 -20.140 -8.441 456 2HG GLN 67 HG1 GLN 67 4.155 -19.940 -7.518 457 1HE2 GLN 67 HE21 GLN 67 5.538 -20.727 -10.591 458 2HE2 GLN 67 HE22 GLN 67 4.088 -21.303 -11.332 459 H GLN 68 HN GLN 68 3.294 -16.401 -11.368 460 HA GLN 68 HA GLN 68 4.685 -13.889 -11.164 461 1HB GLN 68 HB2 GLN 68 2.288 -14.900 -12.585 462 2HB GLN 68 HB1 GLN 68 2.325 -13.179 -12.228 463 1HG GLN 68 HG2 GLN 68 3.321 -13.166 -14.267 464 2HG GLN 68 HG1 GLN 68 4.747 -13.366 -13.248 465 1HE2 GLN 68 HE21 GLN 68 6.105 -14.833 -13.953 466 2HE2 GLN 68 HE22 GLN 68 5.704 -16.260 -14.840 467 H HIS 69 HN HIS 69 2.846 -15.523 -8.996 468 HA HIS 69 HA HIS 69 1.760 -13.045 -7.843 469 1HB HIS 69 HB2 HIS 69 -0.018 -14.269 -6.860 470 2HB HIS 69 HB1 HIS 69 0.090 -14.826 -8.523 471 HD1 HIS 69 HD1 HIS 69 0.772 -15.940 -4.998 472 HD2 HIS 69 HD2 HIS 69 0.661 -17.518 -8.841 473 HE1 HIS 69 HE1 HIS 69 0.885 -18.435 -4.705 474 HE2 HIS 69 HE2 HIS 69 0.919 -19.362 -7.047 475 H ILE 70 HN ILE 70 4.423 -14.656 -7.589 476 HA ILE 70 HA ILE 70 4.437 -14.776 -4.645 477 HB ILE 70 HB ILE 70 6.300 -16.159 -6.579 478 1HG1 ILE 70 HG12 ILE 70 4.013 -17.121 -6.473 479 2HG1 ILE 70 HG11 ILE 70 5.248 -18.213 -5.861 480 1HG2 ILE 70 HG21 ILE 70 6.683 -17.338 -4.154 481 2HG2 ILE 70 HG22 ILE 70 6.433 -15.654 -3.695 482 3HG2 ILE 70 HG23 ILE 70 7.710 -16.077 -4.835 483 1HD1 ILE 70 HD11 ILE 70 3.104 -16.772 -4.395 484 2HD1 ILE 70 HD12 ILE 70 4.593 -17.202 -3.554 485 3HD1 ILE 70 HD13 ILE 70 3.605 -18.460 -4.296 486 H VAL 71 HN VAL 71 5.823 -13.535 -3.535 487 HA VAL 71 HA VAL 71 7.805 -11.972 -5.053 488 HB VAL 71 HB VAL 71 6.260 -10.862 -2.715 489 1HG1 VAL 71 HG11 VAL 71 7.905 -9.489 -4.838 490 2HG1 VAL 71 HG12 VAL 71 8.476 -9.878 -3.215 491 3HG1 VAL 71 HG13 VAL 71 7.149 -8.737 -3.434 492 1HG2 VAL 71 HG21 VAL 71 5.257 -9.449 -4.721 493 2HG2 VAL 71 HG22 VAL 71 4.526 -10.966 -4.197 494 3HG2 VAL 71 HG23 VAL 71 5.584 -10.938 -5.609 495 H HIS 72 HN HIS 72 9.649 -12.996 -4.430 496 HA HIS 72 HA HIS 72 10.186 -13.052 -1.535 497 1HB HIS 72 HB2 HIS 72 11.447 -15.103 -1.793 498 2HB HIS 72 HB1 HIS 72 9.827 -15.337 -2.440 499 HD1 HIS 72 HD1 HIS 72 9.810 -14.803 -5.226 500 HD2 HIS 72 HD2 HIS 72 13.321 -16.118 -3.433 501 HE1 HIS 72 HE1 HIS 72 11.217 -15.722 -7.096 502 HE2 HIS 72 HE2 HIS 72 13.296 -16.597 -5.975 503 H CYS 73 HN CYS 73 11.396 -11.251 -1.360 504 HA CYS 73 HA CYS 73 13.936 -11.221 -2.837 505 1HB CYS 73 HB2 CYS 73 11.832 -9.237 -2.899 506 2HB CYS 73 HB1 CYS 73 13.319 -8.543 -2.261 507 HG CYS 73 HG CYS 73 14.186 -8.453 -4.538 508 H SER 74 HN SER 74 15.314 -11.827 -1.247 509 HA SER 74 HA SER 74 14.989 -11.249 1.476 510 1HB SER 74 HB2 SER 74 17.550 -11.881 -0.009 511 2HB SER 74 HB1 SER 74 17.330 -11.972 1.738 512 HG SER 74 HG SER 74 15.718 -13.436 -0.066 513 H ASN 75 HN ASN 75 17.013 -9.598 -0.954 514 HA ASN 75 HA ASN 75 17.429 -7.505 1.060 515 1HB ASN 75 HB2 ASN 75 18.879 -8.357 -1.393 516 2HB ASN 75 HB1 ASN 75 18.890 -6.636 -1.024 517 1HD2 ASN 75 HD21 ASN 75 18.877 -9.383 1.190 518 2HD2 ASN 75 HD22 ASN 75 20.395 -9.022 1.930 519 H ASP 76 HN ASP 76 15.463 -6.531 1.058 520 HA ASP 76 HA ASP 76 15.013 -4.637 -1.057 521 1HB ASP 76 HB2 ASP 76 13.909 -6.764 -1.873 522 2HB ASP 76 HB1 ASP 76 12.785 -6.602 -0.527 523 HA PRO 77 HA PRO 77 13.680 -2.300 2.456 524 1HB PRO 77 HB2 PRO 77 11.911 -0.844 0.598 525 2HB PRO 77 HB1 PRO 77 13.212 -0.242 1.621 526 1HG PRO 77 HG2 PRO 77 13.428 -0.465 -1.067 527 2HG PRO 77 HG1 PRO 77 14.805 -0.573 0.040 528 1HD PRO 77 HD2 PRO 77 13.433 -2.705 -1.479 529 2HD PRO 77 HD1 PRO 77 15.097 -2.620 -0.880 530 H LEU 78 HN LEU 78 11.448 -3.751 0.188 531 HA LEU 78 HA LEU 78 9.091 -3.379 1.738 532 1HB LEU 78 HB2 LEU 78 9.509 -4.080 -0.804 533 2HB LEU 78 HB1 LEU 78 9.317 -5.683 -0.123 534 HG LEU 78 HG LEU 78 7.132 -4.650 0.915 535 1HD1 LEU 78 HD11 LEU 78 8.005 -2.423 -0.360 536 2HD1 LEU 78 HD12 LEU 78 6.320 -2.748 0.046 537 3HD1 LEU 78 HD13 LEU 78 6.922 -3.108 -1.572 538 1HD2 LEU 78 HD21 LEU 78 5.886 -5.483 -0.974 539 2HD2 LEU 78 HD22 LEU 78 7.286 -6.519 -0.698 540 3HD2 LEU 78 HD23 LEU 78 7.303 -5.346 -2.014 541 H GLY 79 HN GLY 79 11.229 -6.180 1.216 542 1HA GLY 79 HA2 GLY 79 9.924 -7.968 2.918 543 2HA GLY 79 HA1 GLY 79 11.630 -8.038 2.501 544 H GLU 80 HN GLU 80 12.476 -5.614 3.640 545 HA GLU 80 HA GLU 80 12.824 -6.420 6.331 546 1HB GLU 80 HB2 GLU 80 14.278 -4.618 6.549 547 2HB GLU 80 HB1 GLU 80 14.365 -4.973 4.831 548 1HG GLU 80 HG2 GLU 80 14.015 -2.806 4.532 549 2HG GLU 80 HG1 GLU 80 12.337 -3.142 4.950 550 H LEU 81 HN LEU 81 10.496 -4.419 4.738 551 HA LEU 81 HA LEU 81 9.610 -3.013 7.070 552 1HB LEU 81 HB2 LEU 81 9.248 -2.074 4.865 553 2HB LEU 81 HB1 LEU 81 8.313 -3.475 4.385 554 HG LEU 81 HG LEU 81 6.542 -2.883 5.931 555 1HD1 LEU 81 HD11 LEU 81 8.132 -0.429 6.638 556 2HD1 LEU 81 HD12 LEU 81 8.070 -1.877 7.641 557 3HD1 LEU 81 HD13 LEU 81 6.597 -0.959 7.326 558 1HD2 LEU 81 HD21 LEU 81 5.715 -0.937 4.829 559 2HD2 LEU 81 HD22 LEU 81 6.637 -1.868 3.648 560 3HD2 LEU 81 HD23 LEU 81 7.344 -0.429 4.382 561 H PHE 82 HN PHE 82 8.019 -5.493 5.067 562 HA PHE 82 HA PHE 82 5.967 -6.055 6.898 563 1HB PHE 82 HB2 PHE 82 7.129 -7.901 4.801 564 2HB PHE 82 HB1 PHE 82 5.549 -8.056 5.561 565 HD1 PHE 82 HD1 PHE 82 4.844 -5.091 5.500 566 HD2 PHE 82 HD2 PHE 82 6.423 -7.725 2.556 567 HE1 PHE 82 HE1 PHE 82 3.856 -3.697 3.731 568 HE2 PHE 82 HE2 PHE 82 5.438 -6.336 0.781 569 HZ PHE 82 HZ PHE 82 4.154 -4.319 1.367 570 H GLY 83 HN GLY 83 9.257 -7.161 6.716 571 1HA GLY 83 HA2 GLY 83 10.431 -8.131 8.505 572 2HA GLY 83 HA1 GLY 83 8.898 -8.548 9.257 573 H VAL 84 HN VAL 84 9.547 -9.282 5.912 574 HA VAL 84 HA VAL 84 10.239 -12.045 6.536 575 HB VAL 84 HB VAL 84 8.488 -12.925 5.011 576 1HG1 VAL 84 HG11 VAL 84 6.705 -12.870 6.609 577 2HG1 VAL 84 HG12 VAL 84 7.323 -11.379 7.320 578 3HG1 VAL 84 HG13 VAL 84 8.233 -12.880 7.489 579 1HG2 VAL 84 HG21 VAL 84 7.897 -11.118 3.646 580 2HG2 VAL 84 HG22 VAL 84 7.627 -10.050 5.023 581 3HG2 VAL 84 HG23 VAL 84 6.491 -11.356 4.684 582 H GLN 85 HN GLN 85 10.644 -13.298 4.458 583 HA GLN 85 HA GLN 85 12.100 -11.542 2.615 584 1HB GLN 85 HB2 GLN 85 12.344 -14.537 2.934 585 2HB GLN 85 HB1 GLN 85 13.411 -13.484 2.015 586 1HG GLN 85 HG2 GLN 85 13.064 -13.556 5.001 587 2HG GLN 85 HG1 GLN 85 14.473 -14.073 4.076 588 1HE2 GLN 85 HE21 GLN 85 16.083 -12.700 4.180 589 2HE2 GLN 85 HE22 GLN 85 15.960 -10.981 4.296 590 H GLU 86 HN GLU 86 9.548 -13.914 2.769 591 HA GLU 86 HA GLU 86 8.954 -13.377 -0.057 592 1HB GLU 86 HB2 GLU 86 8.218 -15.759 -0.284 593 2HB GLU 86 HB1 GLU 86 9.951 -15.554 -0.069 594 1HG GLU 86 HG2 GLU 86 9.969 -16.613 1.913 595 2HG GLU 86 HG1 GLU 86 8.407 -15.957 2.400 596 H PHE 87 HN PHE 87 6.750 -13.474 -0.632 597 HA PHE 87 HA PHE 87 4.734 -14.058 1.318 598 1HB PHE 87 HB2 PHE 87 3.803 -11.840 1.549 599 2HB PHE 87 HB1 PHE 87 5.490 -11.799 2.045 600 HD1 PHE 87 HD1 PHE 87 3.047 -10.675 -0.407 601 HD2 PHE 87 HD2 PHE 87 7.161 -10.667 0.681 602 HE1 PHE 87 HE1 PHE 87 3.456 -8.829 -1.982 603 HE2 PHE 87 HE2 PHE 87 7.577 -8.821 -0.891 604 HZ PHE 87 HZ PHE 87 5.723 -7.900 -2.225 605 H SER 88 HN SER 88 3.135 -14.940 0.204 606 HA SER 88 HA SER 88 2.924 -14.502 -2.648 607 1HB SER 88 HB2 SER 88 2.648 -16.755 -1.416 608 2HB SER 88 HB1 SER 88 1.036 -16.174 -1.001 609 HG SER 88 HG SER 88 1.298 -17.455 -3.013 610 H VAL 89 HN VAL 89 1.736 -12.934 -3.498 611 HA VAL 89 HA VAL 89 0.042 -11.268 -2.008 612 HB VAL 89 HB VAL 89 -0.815 -10.543 -4.325 613 1HG1 VAL 89 HG11 VAL 89 1.521 -9.532 -4.820 614 2HG1 VAL 89 HG12 VAL 89 1.984 -10.309 -3.306 615 3HG1 VAL 89 HG13 VAL 89 0.691 -9.109 -3.322 616 1HG2 VAL 89 HG21 VAL 89 0.339 -11.259 -6.242 617 2HG2 VAL 89 HG22 VAL 89 -0.061 -12.740 -5.370 618 3HG2 VAL 89 HG23 VAL 89 1.575 -12.084 -5.293 619 H LYS 90 HN LYS 90 -0.544 -14.350 -3.350 620 HA LYS 90 HA LYS 90 -3.194 -14.302 -4.098 621 1HB LYS 90 HB2 LYS 90 -1.758 -16.285 -4.287 622 2HB LYS 90 HB1 LYS 90 -1.777 -16.470 -2.538 623 1HG LYS 90 HG2 LYS 90 -4.387 -16.530 -2.924 624 2HG LYS 90 HG1 LYS 90 -3.891 -17.058 -4.533 625 1HD LYS 90 HD2 LYS 90 -2.624 -18.887 -3.581 626 2HD LYS 90 HD1 LYS 90 -2.986 -18.324 -1.948 627 1HE LYS 90 HE2 LYS 90 -5.444 -18.604 -2.593 628 2HE LYS 90 HE1 LYS 90 -4.851 -19.523 -3.975 629 1HZ LYS 90 HZ1 LYS 90 -3.536 -20.771 -2.102 630 2HZ LYS 90 HZ2 LYS 90 -5.136 -21.184 -2.466 631 3HZ LYS 90 HZ3 LYS 90 -4.799 -20.205 -1.128 632 H GLU 91 HN GLU 91 -1.821 -14.091 -0.904 633 HA GLU 91 HA GLU 91 -4.467 -14.304 0.331 634 1HB GLU 91 HB2 GLU 91 -1.666 -14.316 1.436 635 2HB GLU 91 HB1 GLU 91 -3.067 -14.108 2.477 636 1HG GLU 91 HG2 GLU 91 -3.281 -16.383 0.663 637 2HG GLU 91 HG1 GLU 91 -1.931 -16.492 1.791 638 H HIS 92 HN HIS 92 -5.233 -12.297 -0.524 639 HA HIS 92 HA HIS 92 -4.030 -9.813 -0.253 640 1HB HIS 92 HB2 HIS 92 -6.923 -10.650 -0.330 641 2HB HIS 92 HB1 HIS 92 -6.454 -8.956 -0.222 642 HD1 HIS 92 HD1 HIS 92 -7.994 -9.809 -2.663 643 HD2 HIS 92 HD2 HIS 92 -3.845 -9.932 -2.462 644 HE1 HIS 92 HE1 HIS 92 -7.203 -9.748 -5.049 645 HE2 HIS 92 HE2 HIS 92 -4.694 -9.922 -4.905 646 H ARG 93 HN ARG 93 -6.024 -11.597 2.056 647 HA ARG 93 HA ARG 93 -6.348 -9.585 3.968 648 1HB ARG 93 HB2 ARG 93 -6.737 -12.450 3.811 649 2HB ARG 93 HB1 ARG 93 -6.128 -11.988 5.394 650 1HG ARG 93 HG2 ARG 93 -8.339 -10.360 4.309 651 2HG ARG 93 HG1 ARG 93 -8.724 -12.019 4.771 652 1HD ARG 93 HD2 ARG 93 -8.251 -11.655 6.991 653 2HD ARG 93 HD1 ARG 93 -7.138 -10.332 6.646 654 HE ARG 93 HE ARG 93 -8.902 -8.869 6.710 655 1HH1 ARG 93 HH11 ARG 93 -10.133 -12.130 6.530 656 2HH1 ARG 93 HH12 ARG 93 -11.774 -11.659 6.816 657 1HH2 ARG 93 HH21 ARG 93 -11.061 -8.248 7.086 658 2HH2 ARG 93 HH22 ARG 93 -12.301 -9.455 7.130 659 H ARG 94 HN ARG 94 -3.668 -11.757 3.344 660 HA ARG 94 HA ARG 94 -2.257 -11.246 5.754 661 1HB ARG 94 HB2 ARG 94 -1.973 -13.140 3.957 662 2HB ARG 94 HB1 ARG 94 -0.854 -12.002 3.222 663 1HG ARG 94 HG2 ARG 94 -0.641 -12.840 6.097 664 2HG ARG 94 HG1 ARG 94 0.136 -13.726 4.783 665 1HD ARG 94 HD2 ARG 94 0.893 -11.165 4.245 666 2HD ARG 94 HD1 ARG 94 0.840 -11.155 6.007 667 HE ARG 94 HE ARG 94 2.704 -12.474 6.029 668 1HH1 ARG 94 HH11 ARG 94 1.276 -12.619 2.849 669 2HH1 ARG 94 HH12 ARG 94 2.585 -13.524 2.165 670 1HH2 ARG 94 HH21 ARG 94 4.427 -13.664 5.133 671 2HH2 ARG 94 HH22 ARG 94 4.374 -14.117 3.462 672 H ILE 95 HN ILE 95 -2.112 -9.838 2.506 673 HA ILE 95 HA ILE 95 0.082 -8.118 3.078 674 HB ILE 95 HB ILE 95 -1.991 -7.766 0.916 675 1HG1 ILE 95 HG12 ILE 95 0.561 -9.388 0.958 676 2HG1 ILE 95 HG11 ILE 95 -1.077 -10.000 0.757 677 1HG2 ILE 95 HG21 ILE 95 0.889 -6.909 0.876 678 2HG2 ILE 95 HG22 ILE 95 -0.395 -5.869 1.493 679 3HG2 ILE 95 HG23 ILE 95 -0.424 -6.403 -0.187 680 1HD1 ILE 95 HD11 ILE 95 0.716 -9.343 -1.241 681 2HD1 ILE 95 HD12 ILE 95 -0.446 -8.016 -1.235 682 3HD1 ILE 95 HD13 ILE 95 -1.005 -9.677 -1.429 683 H TYR 96 HN TYR 96 -3.354 -7.324 2.483 684 HA TYR 96 HA TYR 96 -3.350 -4.682 3.175 685 1HB TYR 96 HB2 TYR 96 -5.307 -6.012 2.323 686 2HB TYR 96 HB1 TYR 96 -5.544 -6.607 3.962 687 HD1 TYR 96 HD1 TYR 96 -6.475 -5.188 5.677 688 HD2 TYR 96 HD2 TYR 96 -5.752 -3.667 1.770 689 HE1 TYR 96 HE1 TYR 96 -7.844 -3.213 6.199 690 HE2 TYR 96 HE2 TYR 96 -7.119 -1.688 2.281 691 HH TYR 96 HH TYR 96 -7.768 -0.525 4.899 692 H ALA 97 HN ALA 97 -3.132 -7.431 5.305 693 HA ALA 97 HA ALA 97 -3.693 -6.001 7.714 694 1HB ALA 97 HB1 ALA 97 -2.380 -8.151 8.614 695 2HB ALA 97 HB2 ALA 97 -2.803 -8.728 7.001 696 3HB ALA 97 HB3 ALA 97 -4.069 -8.198 8.109 697 H MET 98 HN MET 98 -0.657 -7.562 6.665 698 HA MET 98 HA MET 98 1.035 -6.383 8.480 699 1HB MET 98 HB2 MET 98 2.818 -7.121 7.163 700 2HB MET 98 HB1 MET 98 1.508 -8.213 6.737 701 1HG MET 98 HG2 MET 98 1.077 -6.651 4.770 702 2HG MET 98 HG1 MET 98 2.657 -5.961 5.133 703 1HE MET 98 HE1 MET 98 1.816 -8.124 2.137 704 2HE MET 98 HE2 MET 98 3.546 -7.794 2.048 705 3HE MET 98 HE3 MET 98 2.436 -6.541 2.607 706 H ILE 99 HN ILE 99 0.023 -5.082 5.337 707 HA ILE 99 HA ILE 99 1.696 -2.798 5.413 708 HB ILE 99 HB ILE 99 0.128 -1.837 3.734 709 1HG1 ILE 99 HG12 ILE 99 -1.472 -3.953 2.992 710 2HG1 ILE 99 HG11 ILE 99 -1.545 -4.018 4.750 711 1HG2 ILE 99 HG21 ILE 99 1.511 -4.421 3.492 712 2HG2 ILE 99 HG22 ILE 99 1.692 -2.940 2.551 713 3HG2 ILE 99 HG23 ILE 99 0.365 -4.050 2.204 714 1HD1 ILE 99 HD11 ILE 99 -2.430 -1.842 2.908 715 2HD1 ILE 99 HD12 ILE 99 -2.068 -1.505 4.601 716 3HD1 ILE 99 HD13 ILE 99 -3.330 -2.664 4.182 717 H SER 100 HN SER 100 -1.405 -3.556 6.811 718 HA SER 100 HA SER 100 -2.152 -0.874 7.431 719 1HB SER 100 HB2 SER 100 -3.198 -3.575 7.949 720 2HB SER 100 HB1 SER 100 -3.535 -2.410 9.229 721 HG SER 100 HG SER 100 -4.029 -1.856 6.499 722 H ARG 101 HN ARG 101 -0.514 -3.463 9.197 723 HA ARG 101 HA ARG 101 -0.357 -1.961 11.631 724 1HB ARG 101 HB2 ARG 101 1.567 -3.835 11.976 725 2HB ARG 101 HB1 ARG 101 -0.136 -4.104 12.302 726 1HG ARG 101 HG2 ARG 101 -0.392 -5.076 10.084 727 2HG ARG 101 HG1 ARG 101 1.330 -4.836 9.786 728 1HD ARG 101 HD2 ARG 101 0.855 -6.197 12.294 729 2HD ARG 101 HD1 ARG 101 0.121 -7.054 10.944 730 HE ARG 101 HE ARG 101 2.709 -6.377 10.189 731 1HH1 ARG 101 HH11 ARG 101 1.128 -8.390 12.562 732 2HH1 ARG 101 HH12 ARG 101 2.429 -9.528 12.648 733 1HH2 ARG 101 HH21 ARG 101 4.424 -7.874 10.303 734 2HH2 ARG 101 HH22 ARG 101 4.301 -9.236 11.367 735 H ASN 102 HN ASN 102 1.273 -1.737 8.724 736 HA ASN 102 HA ASN 102 3.735 -0.739 9.958 737 1HB ASN 102 HB2 ASN 102 3.066 -1.385 7.081 738 2HB ASN 102 HB1 ASN 102 4.615 -0.744 7.623 739 1HD2 ASN 102 HD21 ASN 102 4.492 -3.118 6.277 740 2HD2 ASN 102 HD22 ASN 102 4.869 -4.420 7.350 741 H LEU 103 HN LEU 103 1.217 0.718 10.089 742 HA LEU 103 HA LEU 103 2.043 3.152 8.653 743 1HB LEU 103 HB2 LEU 103 -0.793 2.295 9.232 744 2HB LEU 103 HB1 LEU 103 -0.306 3.765 8.411 745 HG LEU 103 HG LEU 103 0.527 1.139 7.262 746 1HD1 LEU 103 HD11 LEU 103 -1.502 0.649 6.314 747 2HD1 LEU 103 HD12 LEU 103 -2.101 2.299 6.477 748 3HD1 LEU 103 HD13 LEU 103 -2.011 1.250 7.892 749 1HD2 LEU 103 HD21 LEU 103 1.162 2.427 5.570 750 2HD2 LEU 103 HD22 LEU 103 0.715 3.842 6.522 751 3HD2 LEU 103 HD23 LEU 103 -0.457 3.110 5.427 752 H VAL 104 HN VAL 104 2.627 4.699 10.018 753 HA VAL 104 HA VAL 104 2.290 4.539 12.801 754 HB VAL 104 HB VAL 104 3.056 6.907 12.852 755 1HG1 VAL 104 HG11 VAL 104 4.735 5.278 10.962 756 2HG1 VAL 104 HG12 VAL 104 4.575 4.891 12.675 757 3HG1 VAL 104 HG13 VAL 104 5.270 6.435 12.181 758 1HG2 VAL 104 HG21 VAL 104 2.064 7.815 10.884 759 2HG2 VAL 104 HG22 VAL 104 2.872 6.634 9.856 760 3HG2 VAL 104 HG23 VAL 104 3.811 7.885 10.667 761 H SER 105 HN SER 105 0.625 6.552 10.390 762 HA SER 105 HA SER 105 -1.412 7.179 12.416 763 1HB SER 105 HB2 SER 105 -0.034 8.944 10.900 764 2HB SER 105 HB1 SER 105 -1.423 8.659 9.850 765 HG SER 105 HG SER 105 -1.655 9.317 12.596 766 H ALA 106 HN ALA 106 -2.913 5.596 12.286 767 HA ALA 106 HA ALA 106 -3.994 4.961 9.618 768 1HB ALA 106 HB1 ALA 106 -3.566 3.305 12.051 769 2HB ALA 106 HB2 ALA 106 -3.291 2.914 10.353 770 3HB ALA 106 HB3 ALA 106 -4.931 2.922 11.002 771 H ASN 107 HN ASN 107 -5.736 6.211 9.294 772 HA ASN 107 HA ASN 107 -7.375 7.311 11.274 773 1HB ASN 107 HB2 ASN 107 -7.153 7.627 8.580 774 2HB ASN 107 HB1 ASN 107 -8.679 6.756 8.686 775 1HD2 ASN 107 HD21 ASN 107 -6.968 9.661 9.549 776 2HD2 ASN 107 HD22 ASN 107 -8.360 10.599 9.956 777 H VAL 108 HN VAL 108 -9.135 6.615 12.352 778 HA VAL 108 HA VAL 108 -9.750 3.809 12.271 779 HB VAL 108 HB VAL 108 -9.687 5.369 14.350 780 1HG1 VAL 108 HG11 VAL 108 -11.314 7.000 13.452 781 2HG1 VAL 108 HG12 VAL 108 -11.800 6.327 15.008 782 3HG1 VAL 108 HG13 VAL 108 -12.560 5.753 13.523 783 1HG2 VAL 108 HG21 VAL 108 -10.656 3.683 15.491 784 2HG2 VAL 108 HG22 VAL 108 -10.653 2.893 13.914 785 3HG2 VAL 108 HG23 VAL 108 -12.110 3.700 14.494 786 H LYS 109 HN LYS 109 -11.950 2.987 12.112 787 HA LYS 109 HA LYS 109 -13.339 4.222 9.876 788 1HB LYS 109 HB2 LYS 109 -12.795 1.613 10.498 789 2HB LYS 109 HB1 LYS 109 -14.468 1.759 11.019 790 1HG LYS 109 HG2 LYS 109 -13.540 2.606 8.291 791 2HG LYS 109 HG1 LYS 109 -14.088 0.968 8.654 792 1HD LYS 109 HD2 LYS 109 -16.112 2.415 9.712 793 2HD LYS 109 HD1 LYS 109 -15.625 3.467 8.382 794 1HE LYS 109 HE2 LYS 109 -16.197 1.930 6.776 795 2HE LYS 109 HE1 LYS 109 -15.963 0.556 7.855 796 1HZ LYS 109 HZ1 LYS 109 -18.306 2.250 7.484 797 2HZ LYS 109 HZ2 LYS 109 -17.998 1.717 9.059 798 3HZ LYS 109 HZ3 LYS 109 -18.209 0.593 7.814 799 H GLU 110 HN GLU 110 -14.477 5.945 10.668 800 HA GLU 110 HA GLU 110 -16.351 5.448 12.873 801 1HB GLU 110 HB2 GLU 110 -16.543 7.899 13.018 802 2HB GLU 110 HB1 GLU 110 -14.880 7.358 13.202 803 1HG GLU 110 HG2 GLU 110 -14.197 8.485 11.409 804 2HG GLU 110 HG1 GLU 110 -15.577 7.963 10.444 805 H SER 111 HN SER 111 -18.524 6.355 12.697 806 HA SER 111 HA SER 111 -19.521 6.188 9.932 807 1HB SER 111 HB2 SER 111 -21.619 5.397 10.829 808 2HB SER 111 HB1 SER 111 -20.321 4.436 11.537 809 HG SER 111 HG SER 111 -20.527 5.573 13.431 810 H SER 112 HN SER 112 -19.551 8.267 9.241 811 HA SER 112 HA SER 112 -21.176 10.157 10.812 812 1HB SER 112 HB2 SER 112 -18.636 10.690 9.265 813 2HB SER 112 HB1 SER 112 -19.726 11.972 9.794 814 HG SER 112 HG SER 112 -19.233 11.557 11.869 815 H GLU 113 HN GLU 113 -22.236 11.834 9.527 816 HA GLU 113 HA GLU 113 -23.016 10.792 6.890 817 1HB GLU 113 HB2 GLU 113 -24.482 12.666 8.755 818 2HB GLU 113 HB1 GLU 113 -25.065 12.157 7.177 819 1HG GLU 113 HG2 GLU 113 -24.440 10.223 9.387 820 2HG GLU 113 HG1 GLU 113 -26.030 10.953 9.164 821 H ASP 114 HN ASP 114 -22.225 11.811 5.184 822 HA ASP 114 HA ASP 114 -21.383 14.613 5.471 823 1HB ASP 114 HB2 ASP 114 -20.025 14.165 3.409 824 2HB ASP 114 HB1 ASP 114 -19.559 13.197 4.805 825 H ILE 115 HN ILE 115 -22.460 16.158 4.423 826 HA ILE 115 HA ILE 115 -24.376 15.368 2.355 827 HB ILE 115 HB ILE 115 -24.459 17.901 3.992 828 1HG1 ILE 115 HG12 ILE 115 -26.101 15.399 4.423 829 2HG1 ILE 115 HG11 ILE 115 -24.693 15.824 5.391 830 1HG2 ILE 115 HG21 ILE 115 -26.878 16.745 2.766 831 2HG2 ILE 115 HG22 ILE 115 -25.676 17.393 1.652 832 3HG2 ILE 115 HG23 ILE 115 -26.365 18.426 2.904 833 1HD1 ILE 115 HD11 ILE 115 -25.867 17.954 5.984 834 2HD1 ILE 115 HD12 ILE 115 -26.614 16.481 6.603 835 3HD1 ILE 115 HD13 ILE 115 -27.302 17.296 5.198 836 H PHE 116 HN PHE 116 -23.319 15.614 0.527 837 HA PHE 116 HA PHE 116 -21.956 18.170 -0.001 838 1HB PHE 116 HB2 PHE 116 -21.341 15.370 -0.789 839 2HB PHE 116 HB1 PHE 116 -20.993 16.630 -1.968 840 HD1 PHE 116 HD1 PHE 116 -19.368 14.677 0.158 841 HD2 PHE 116 HD2 PHE 116 -20.031 18.841 -0.420 842 HE1 PHE 116 HE1 PHE 116 -17.256 15.170 1.319 843 HE2 PHE 116 HE2 PHE 116 -17.920 19.342 0.739 844 HZ PHE 116 HZ PHE 116 -16.529 17.505 1.610 845 H GLY 117 HN GLY 117 -24.361 15.899 -1.109 846 1HA GLY 117 HA2 GLY 117 -26.234 16.587 -2.397 847 2HA GLY 117 HA1 GLY 117 -25.268 17.901 -3.050 848 H ASN 118 HN ASN 118 -23.047 15.805 -3.431 849 HA ASN 118 HA ASN 118 -24.044 14.868 -6.028 850 1HB ASN 118 HB2 ASN 118 -21.366 15.671 -4.997 851 2HB ASN 118 HB1 ASN 118 -21.422 14.437 -6.252 852 1HD2 ASN 118 HD21 ASN 118 -20.835 15.419 -8.056 853 2HD2 ASN 118 HD22 ASN 118 -21.509 16.886 -8.672 854 H VAL 119 HN VAL 119 -23.623 12.736 -6.734 855 HA VAL 119 HA VAL 119 -23.424 10.817 -4.528 856 HB VAL 119 HB VAL 119 -24.265 9.167 -6.235 857 1HG1 VAL 119 HG11 VAL 119 -25.975 9.766 -4.865 858 2HG1 VAL 119 HG12 VAL 119 -26.587 10.466 -6.364 859 3HG1 VAL 119 HG13 VAL 119 -25.773 11.489 -5.181 860 1HG2 VAL 119 HG21 VAL 119 -23.534 10.935 -8.098 861 2HG2 VAL 119 HG22 VAL 119 -25.224 11.405 -7.920 862 3HG2 VAL 119 HG23 VAL 119 -24.812 9.748 -8.361 863 H30 IMY 120 1H30 IMY 120 -1.190 -13.772 -10.919 864 1H30 IMY 120 2H30 IMY 120 -0.700 -14.359 -9.280 865 2H30 IMY 120 3H30 IMY 120 0.161 -14.898 -10.727 866 H26 IMY 120 H26 IMY 120 -1.710 -12.487 -8.704 867 H25 IMY 120 H25 IMY 120 -2.316 -10.320 -7.805 868 H31 IMY 120 H31 IMY 120 2.897 -8.851 -10.881 869 1H32 IMY 120 1H32 IMY 120 3.537 -6.789 -8.672 870 2H32 IMY 120 2H32 IMY 120 4.602 -7.246 -10.012 871 3H32 IMY 120 3H32 IMY 120 3.115 -6.325 -10.309 872 1H33 IMY 120 1H33 IMY 120 2.862 -10.439 -9.032 873 2H33 IMY 120 2H33 IMY 120 4.440 -9.639 -9.109 874 3H33 IMY 120 3H33 IMY 120 3.246 -9.180 -7.870 875 H28 IMY 120 H28 IMY 120 1.832 -10.848 -10.449 876 H4 IMY 120 H4 IMY 120 -3.015 -6.330 -7.306 877 H3 IMY 120 H3 IMY 120 -1.114 -4.973 -7.151 878 H18 IMY 120 H18 IMY 120 1.245 -7.689 -6.184 879 H17 IMY 120 H17 IMY 120 2.557 -7.702 -4.132 880 H15 IMY 120 H15 IMY 120 0.430 -4.331 -2.645 881 H14 IMY 120 H14 IMY 120 -0.958 -4.272 -4.682 882 H20 IMY 120 H20 IMY 120 -4.218 -5.000 -5.653 883 H21 IMY 120 H21 IMY 120 -5.337 -4.971 -3.482 884 H23 IMY 120 H23 IMY 120 -3.021 -8.359 -2.208 885 H24 IMY 120 H24 IMY 120 -1.995 -8.508 -4.414 Start of MODEL 16 1 1H ASN 13 HT1 ASN 13 -19.086 22.590 7.061 2 2H ASN 13 HT2 ASN 13 -19.485 22.189 8.681 3 3H ASN 13 HT3 ASN 13 -20.539 21.748 7.401 4 HA ASN 13 HA ASN 13 -17.772 20.798 7.544 5 1HB ASN 13 HB2 ASN 13 -18.752 18.740 8.593 6 2HB ASN 13 HB1 ASN 13 -18.786 20.159 9.636 7 1HD2 ASN 13 HD21 ASN 13 -20.530 17.594 8.606 8 2HD2 ASN 13 HD22 ASN 13 -22.127 18.183 8.902 9 H HIS 14 HN HIS 14 -19.506 21.670 5.343 10 HA HIS 14 HA HIS 14 -19.966 19.082 4.013 11 1HB HIS 14 HB2 HIS 14 -21.742 21.172 4.343 12 2HB HIS 14 HB1 HIS 14 -21.138 21.426 2.709 13 HD1 HIS 14 HD1 HIS 14 -24.065 20.595 3.232 14 HD2 HIS 14 HD2 HIS 14 -20.985 17.937 2.390 15 HE1 HIS 14 HE1 HIS 14 -25.183 18.543 2.305 16 HE2 HIS 14 HE2 HIS 14 -23.293 16.983 1.720 17 H ILE 15 HN ILE 15 -19.272 18.813 1.866 18 HA ILE 15 HA ILE 15 -17.331 20.816 0.918 19 HB ILE 15 HB ILE 15 -16.981 17.841 0.559 20 1HG1 ILE 15 HG12 ILE 15 -15.177 19.271 2.408 21 2HG1 ILE 15 HG11 ILE 15 -16.822 19.052 2.994 22 1HG2 ILE 15 HG21 ILE 15 -15.650 18.756 -1.039 23 2HG2 ILE 15 HG22 ILE 15 -14.533 18.831 0.323 24 3HG2 ILE 15 HG23 ILE 15 -15.436 20.268 -0.157 25 1HD1 ILE 15 HD11 ILE 15 -15.802 16.616 1.848 26 2HD1 ILE 15 HD12 ILE 15 -16.442 16.924 3.463 27 3HD1 ILE 15 HD13 ILE 15 -14.739 17.227 3.116 28 H SER 16 HN SER 16 -16.884 20.638 -1.464 29 HA SER 16 HA SER 16 -19.291 19.722 -2.897 30 1HB SER 16 HB2 SER 16 -18.831 21.569 -4.518 31 2HB SER 16 HB1 SER 16 -19.220 22.140 -2.895 32 HG SER 16 HG SER 16 -16.620 21.886 -4.008 33 H THR 17 HN THR 17 -17.855 17.704 -2.889 34 HA THR 17 HA THR 17 -16.525 16.216 -3.986 35 HB THR 17 HB THR 17 -16.744 16.159 -6.342 36 HG1 THR 17 HG1 THR 17 -17.444 18.901 -6.337 37 1HG2 THR 17 HG21 THR 17 -18.948 16.322 -4.886 38 2HG2 THR 17 HG22 THR 17 -18.985 16.200 -6.645 39 3HG2 THR 17 HG23 THR 17 -19.178 17.770 -5.866 40 H SER 18 HN SER 18 -15.272 18.717 -2.905 41 HA SER 18 HA SER 18 -12.876 18.785 -4.615 42 1HB SER 18 HB2 SER 18 -13.690 20.835 -2.545 43 2HB SER 18 HB1 SER 18 -12.391 20.974 -3.729 44 HG SER 18 HG SER 18 -14.106 20.778 -5.348 45 H ASP 19 HN ASP 19 -10.802 18.898 -3.531 46 HA ASP 19 HA ASP 19 -9.240 18.165 -2.049 47 1HB ASP 19 HB2 ASP 19 -10.550 19.732 -0.532 48 2HB ASP 19 HB1 ASP 19 -11.375 18.301 0.080 49 H GLN 20 HN GLN 20 -8.446 16.193 -1.612 50 HA GLN 20 HA GLN 20 -10.372 13.977 -1.401 51 1HB GLN 20 HB2 GLN 20 -9.221 13.617 -3.400 52 2HB GLN 20 HB1 GLN 20 -7.703 14.219 -2.751 53 1HG GLN 20 HG2 GLN 20 -7.472 12.216 -1.398 54 2HG GLN 20 HG1 GLN 20 -9.011 11.611 -2.009 55 1HE2 GLN 20 HE21 GLN 20 -6.226 13.151 -3.576 56 2HE2 GLN 20 HE22 GLN 20 -5.952 11.888 -4.722 57 H GLU 21 HN GLU 21 -9.867 12.236 0.013 58 HA GLU 21 HA GLU 21 -7.658 12.562 1.869 59 1HB GLU 21 HB2 GLU 21 -10.450 12.336 2.982 60 2HB GLU 21 HB1 GLU 21 -8.962 12.693 3.847 61 1HG GLU 21 HG2 GLU 21 -8.844 14.833 2.523 62 2HG GLU 21 HG1 GLU 21 -10.482 14.481 1.974 63 H LYS 22 HN LYS 22 -8.632 10.740 3.819 64 HA LYS 22 HA LYS 22 -8.925 8.515 4.253 65 1HB LYS 22 HB2 LYS 22 -9.540 8.092 1.338 66 2HB LYS 22 HB1 LYS 22 -10.009 7.079 2.696 67 1HG LYS 22 HG2 LYS 22 -10.990 9.833 2.855 68 2HG LYS 22 HG1 LYS 22 -11.609 8.912 1.484 69 1HD LYS 22 HD2 LYS 22 -11.633 7.329 3.902 70 2HD LYS 22 HD1 LYS 22 -12.525 8.836 4.119 71 1HE LYS 22 HE2 LYS 22 -14.207 8.125 2.839 72 2HE LYS 22 HE1 LYS 22 -13.108 7.594 1.566 73 1HZ LYS 22 HZ1 LYS 22 -12.699 5.676 3.325 74 2HZ LYS 22 HZ2 LYS 22 -13.936 5.596 2.174 75 3HZ LYS 22 HZ3 LYS 22 -14.285 6.075 3.758 76 H LEU 23 HN LEU 23 -6.572 9.875 2.576 77 HA LEU 23 HA LEU 23 -5.224 7.719 1.343 78 1HB LEU 23 HB2 LEU 23 -3.594 9.917 2.476 79 2HB LEU 23 HB1 LEU 23 -3.534 9.179 0.889 80 HG LEU 23 HG LEU 23 -5.963 10.541 0.900 81 1HD1 LEU 23 HD11 LEU 23 -5.675 12.645 1.811 82 2HD1 LEU 23 HD12 LEU 23 -3.919 12.491 1.876 83 3HD1 LEU 23 HD13 LEU 23 -4.924 11.614 3.029 84 1HD2 LEU 23 HD21 LEU 23 -3.772 10.332 -0.692 85 2HD2 LEU 23 HD22 LEU 23 -3.659 12.011 -0.168 86 3HD2 LEU 23 HD23 LEU 23 -5.117 11.437 -0.977 87 H VAL 24 HN VAL 24 -2.963 7.076 2.083 88 HA VAL 24 HA VAL 24 -3.005 6.510 4.972 89 HB VAL 24 HB VAL 24 -1.539 4.468 4.217 90 1HG1 VAL 24 HG11 VAL 24 -3.799 4.468 5.321 91 2HG1 VAL 24 HG12 VAL 24 -3.458 3.073 4.298 92 3HG1 VAL 24 HG13 VAL 24 -4.504 4.364 3.708 93 1HG2 VAL 24 HG21 VAL 24 -3.062 5.146 1.708 94 2HG2 VAL 24 HG22 VAL 24 -2.431 3.535 2.045 95 3HG2 VAL 24 HG23 VAL 24 -1.325 4.901 1.893 96 H GLN 25 HN GLN 25 -0.804 6.178 5.927 97 HA GLN 25 HA GLN 25 1.226 7.733 4.464 98 1HB GLN 25 HB2 GLN 25 0.281 9.081 6.257 99 2HB GLN 25 HB1 GLN 25 0.612 7.807 7.420 100 1HG GLN 25 HG2 GLN 25 2.461 8.984 7.845 101 2HG GLN 25 HG1 GLN 25 3.082 8.212 6.388 102 1HE2 GLN 25 HE21 GLN 25 0.980 10.962 7.188 103 2HE2 GLN 25 HE22 GLN 25 1.749 12.079 6.119 104 HA PRO 26 HA PRO 26 3.184 3.645 5.151 105 1HB PRO 26 HB2 PRO 26 5.077 4.879 3.226 106 2HB PRO 26 HB1 PRO 26 4.304 3.292 3.179 107 1HG PRO 26 HG2 PRO 26 3.504 5.233 1.546 108 2HG PRO 26 HG1 PRO 26 2.326 4.139 2.296 109 1HD PRO 26 HD2 PRO 26 3.044 6.952 3.041 110 2HD PRO 26 HD1 PRO 26 1.446 6.177 2.974 111 H THR 27 HN THR 27 4.943 3.094 6.382 112 HA THR 27 HA THR 27 6.112 5.052 8.030 113 HB THR 27 HB THR 27 7.789 3.046 8.447 114 HG1 THR 27 HG1 THR 27 7.354 1.616 6.925 115 1HG2 THR 27 HG21 THR 27 6.338 3.504 10.194 116 2HG2 THR 27 HG22 THR 27 5.941 1.844 9.752 117 3HG2 THR 27 HG23 THR 27 4.905 3.169 9.221 118 HA PRO 28 HA PRO 28 9.655 6.736 6.048 119 1HB PRO 28 HB2 PRO 28 11.725 5.623 7.631 120 2HB PRO 28 HB1 PRO 28 10.963 7.202 7.830 121 1HG PRO 28 HG2 PRO 28 10.440 4.655 9.258 122 2HG PRO 28 HG1 PRO 28 10.280 6.324 9.830 123 1HD PRO 28 HD2 PRO 28 8.133 4.827 9.238 124 2HD PRO 28 HD1 PRO 28 8.170 6.572 8.905 125 H LEU 29 HN LEU 29 9.812 3.313 6.869 126 HA LEU 29 HA LEU 29 11.850 2.668 4.976 127 1HB LEU 29 HB2 LEU 29 11.452 1.263 6.921 128 2HB LEU 29 HB1 LEU 29 9.818 0.932 6.380 129 HG LEU 29 HG LEU 29 10.641 -0.332 4.489 130 1HD1 LEU 29 HD11 LEU 29 13.008 -0.715 4.123 131 2HD1 LEU 29 HD12 LEU 29 13.409 0.333 5.484 132 3HD1 LEU 29 HD13 LEU 29 12.648 1.010 4.044 133 1HD2 LEU 29 HD21 LEU 29 10.382 -1.495 6.627 134 2HD2 LEU 29 HD22 LEU 29 12.058 -1.126 7.030 135 3HD2 LEU 29 HD23 LEU 29 11.692 -2.184 5.668 136 H LEU 30 HN LEU 30 8.370 1.866 5.041 137 HA LEU 30 HA LEU 30 8.161 0.903 2.449 138 1HB LEU 30 HB2 LEU 30 6.412 0.807 4.253 139 2HB LEU 30 HB1 LEU 30 6.038 2.482 3.899 140 HG LEU 30 HG LEU 30 5.180 1.948 1.755 141 1HD1 LEU 30 HD11 LEU 30 6.640 -0.620 2.142 142 2HD1 LEU 30 HD12 LEU 30 6.593 0.451 0.742 143 3HD1 LEU 30 HD13 LEU 30 5.214 -0.587 1.105 144 1HD2 LEU 30 HD21 LEU 30 3.997 1.091 4.007 145 2HD2 LEU 30 HD22 LEU 30 4.124 -0.437 3.136 146 3HD2 LEU 30 HD23 LEU 30 3.274 0.926 2.407 147 H LEU 31 HN LEU 31 8.152 4.184 3.654 148 HA LEU 31 HA LEU 31 7.208 5.601 1.480 149 1HB LEU 31 HB2 LEU 31 8.854 6.143 3.814 150 2HB LEU 31 HB1 LEU 31 9.315 7.138 2.447 151 HG LEU 31 HG LEU 31 6.538 6.957 3.616 152 1HD1 LEU 31 HD11 LEU 31 8.814 8.841 4.011 153 2HD1 LEU 31 HD12 LEU 31 7.676 8.186 5.188 154 3HD1 LEU 31 HD13 LEU 31 7.161 9.452 4.074 155 1HD2 LEU 31 HD21 LEU 31 5.773 8.177 1.900 156 2HD2 LEU 31 HD22 LEU 31 7.207 7.603 1.049 157 3HD2 LEU 31 HD23 LEU 31 7.223 9.179 1.841 158 H SER 32 HN SER 32 10.668 5.042 2.184 159 HA SER 32 HA SER 32 11.763 6.007 -0.135 160 1HB SER 32 HB2 SER 32 12.798 4.789 2.023 161 2HB SER 32 HB1 SER 32 12.927 3.458 0.873 162 HG SER 32 HG SER 32 14.787 4.656 0.715 163 H LEU 33 HN LEU 33 10.346 2.784 0.372 164 HA LEU 33 HA LEU 33 11.086 1.629 -2.061 165 1HB LEU 33 HB2 LEU 33 8.347 1.104 -1.019 166 2HB LEU 33 HB1 LEU 33 9.520 -0.016 -1.659 167 HG LEU 33 HG LEU 33 9.503 1.201 1.096 168 1HD1 LEU 33 HD11 LEU 33 8.930 -0.872 1.887 169 2HD1 LEU 33 HD12 LEU 33 9.598 -1.712 0.487 170 3HD1 LEU 33 HD13 LEU 33 8.063 -0.855 0.351 171 1HD2 LEU 33 HD21 LEU 33 11.639 -0.300 -0.376 172 2HD2 LEU 33 HD22 LEU 33 11.510 -0.387 1.380 173 3HD2 LEU 33 HD23 LEU 33 11.777 1.168 0.591 174 H LEU 34 HN LEU 34 8.567 3.904 -1.256 175 HA LEU 34 HA LEU 34 7.309 3.828 -3.846 176 1HB LEU 34 HB2 LEU 34 7.050 6.024 -1.796 177 2HB LEU 34 HB1 LEU 34 5.905 5.578 -3.042 178 HG LEU 34 HG LEU 34 6.587 3.732 -0.767 179 1HD1 LEU 34 HD11 LEU 34 5.430 6.178 -0.397 180 2HD1 LEU 34 HD12 LEU 34 5.199 4.770 0.639 181 3HD1 LEU 34 HD13 LEU 34 4.030 5.131 -0.630 182 1HD2 LEU 34 HD21 LEU 34 4.039 3.220 -1.522 183 2HD2 LEU 34 HD22 LEU 34 5.453 2.375 -2.154 184 3HD2 LEU 34 HD23 LEU 34 4.751 3.717 -3.057 185 H LYS 35 HN LYS 35 9.741 5.697 -2.181 186 HA LYS 35 HA LYS 35 9.981 7.891 -3.879 187 1HB LYS 35 HB2 LYS 35 11.802 6.467 -1.995 188 2HB LYS 35 HB1 LYS 35 12.513 7.634 -3.091 189 1HG LYS 35 HG2 LYS 35 11.917 8.512 -0.831 190 2HG LYS 35 HG1 LYS 35 11.226 9.401 -2.184 191 1HD LYS 35 HD2 LYS 35 9.129 8.053 -1.872 192 2HD LYS 35 HD1 LYS 35 9.842 7.423 -0.386 193 1HE LYS 35 HE2 LYS 35 9.270 10.318 -1.006 194 2HE LYS 35 HE1 LYS 35 8.356 9.288 0.095 195 1HZ LYS 35 HZ1 LYS 35 10.987 10.517 0.450 196 2HZ LYS 35 HZ2 LYS 35 10.721 9.011 1.173 197 3HZ LYS 35 HZ3 LYS 35 9.726 10.323 1.562 198 H SER 36 HN SER 36 11.145 4.611 -4.188 199 HA SER 36 HA SER 36 12.646 5.268 -6.605 200 1HB SER 36 HB2 SER 36 13.037 3.395 -4.571 201 2HB SER 36 HB1 SER 36 12.518 2.437 -5.956 202 HG SER 36 HG SER 36 14.751 2.704 -6.014 203 H ALA 37 HN ALA 37 9.618 3.952 -5.615 204 HA ALA 37 HA ALA 37 9.093 2.580 -8.099 205 1HB ALA 37 HB1 ALA 37 7.355 3.186 -5.713 206 2HB ALA 37 HB2 ALA 37 8.114 1.651 -6.132 207 3HB ALA 37 HB3 ALA 37 6.806 2.288 -7.127 208 H GLY 38 HN GLY 38 9.303 5.765 -7.439 209 1HA GLY 38 HA2 GLY 38 8.741 7.398 -9.084 210 2HA GLY 38 HA1 GLY 38 7.357 6.416 -9.541 211 H ALA 39 HN ALA 39 8.312 7.307 -6.274 212 HA ALA 39 HA ALA 39 5.789 8.798 -6.031 213 1HB ALA 39 HB1 ALA 39 7.148 7.706 -3.624 214 2HB ALA 39 HB2 ALA 39 6.315 6.582 -4.697 215 3HB ALA 39 HB3 ALA 39 5.431 7.913 -3.959 216 H GLN 40 HN GLN 40 5.813 10.804 -4.836 217 HA GLN 40 HA GLN 40 8.514 11.860 -4.323 218 1HB GLN 40 HB2 GLN 40 6.099 13.422 -5.251 219 2HB GLN 40 HB1 GLN 40 7.719 14.057 -4.998 220 1HG GLN 40 HG2 GLN 40 7.244 11.842 -6.947 221 2HG GLN 40 HG1 GLN 40 6.930 13.518 -7.392 222 1HE2 GLN 40 HE21 GLN 40 8.613 13.008 -8.998 223 2HE2 GLN 40 HE22 GLN 40 10.266 13.230 -8.548 224 H LYS 41 HN LYS 41 5.139 12.748 -3.563 225 HA LYS 41 HA LYS 41 5.654 14.067 -1.184 226 1HB LYS 41 HB2 LYS 41 3.279 13.614 -0.610 227 2HB LYS 41 HB1 LYS 41 3.496 14.235 -2.239 228 1HG LYS 41 HG2 LYS 41 3.441 11.296 -1.928 229 2HG LYS 41 HG1 LYS 41 1.926 12.164 -1.671 230 1HD LYS 41 HD2 LYS 41 2.723 13.353 -3.932 231 2HD LYS 41 HD1 LYS 41 3.509 11.787 -4.145 232 1HE LYS 41 HE2 LYS 41 1.046 11.013 -3.330 233 2HE LYS 41 HE1 LYS 41 0.653 12.500 -4.192 234 1HZ LYS 41 HZ1 LYS 41 1.641 9.968 -5.216 235 2HZ LYS 41 HZ2 LYS 41 2.308 11.352 -5.925 236 3HZ LYS 41 HZ3 LYS 41 0.633 11.115 -5.947 237 H GLU 42 HN GLU 42 4.521 13.179 0.964 238 HA GLU 42 HA GLU 42 6.032 10.765 1.643 239 1HB GLU 42 HB2 GLU 42 4.661 12.626 3.576 240 2HB GLU 42 HB1 GLU 42 5.949 11.475 3.908 241 1HG GLU 42 HG2 GLU 42 7.181 13.368 3.871 242 2HG GLU 42 HG1 GLU 42 7.235 12.986 2.151 243 H THR 43 HN THR 43 2.784 11.987 1.396 244 HA THR 43 HA THR 43 1.746 9.500 2.579 245 HB THR 43 HB THR 43 -0.194 11.600 1.907 246 HG1 THR 43 HG1 THR 43 0.998 13.139 2.700 247 1HG2 THR 43 HG21 THR 43 0.315 9.712 4.118 248 2HG2 THR 43 HG22 THR 43 -1.186 10.113 3.283 249 3HG2 THR 43 HG23 THR 43 -0.537 11.206 4.506 250 H PHE 44 HN PHE 44 0.020 8.388 1.503 251 HA PHE 44 HA PHE 44 -0.572 9.072 -1.246 252 1HB PHE 44 HB2 PHE 44 0.804 6.455 -0.616 253 2HB PHE 44 HB1 PHE 44 0.246 6.989 -2.196 254 HD1 PHE 44 HD1 PHE 44 2.739 7.533 0.449 255 HD2 PHE 44 HD2 PHE 44 1.543 8.462 -3.528 256 HE1 PHE 44 HE1 PHE 44 4.953 8.516 0.018 257 HE2 PHE 44 HE2 PHE 44 3.754 9.455 -3.960 258 HZ PHE 44 HZ PHE 44 5.460 9.484 -2.186 259 H THR 45 HN THR 45 -2.408 8.047 -2.041 260 HA THR 45 HA THR 45 -4.162 6.941 -0.049 261 HB THR 45 HB THR 45 -5.706 6.698 -2.102 262 HG1 THR 45 HG1 THR 45 -4.459 6.850 -3.833 263 1HG2 THR 45 HG21 THR 45 -6.545 8.726 -1.699 264 2HG2 THR 45 HG22 THR 45 -5.015 9.536 -2.037 265 3HG2 THR 45 HG23 THR 45 -5.299 8.813 -0.454 266 H MET 46 HN MET 46 -5.146 4.858 -0.147 267 HA MET 46 HA MET 46 -3.507 2.721 -0.364 268 1HB MET 46 HB2 MET 46 -6.178 3.093 0.202 269 2HB MET 46 HB1 MET 46 -6.215 2.025 -1.197 270 1HG MET 46 HG2 MET 46 -6.131 0.525 0.535 271 2HG MET 46 HG1 MET 46 -4.430 0.686 0.104 272 1HE MET 46 HE1 MET 46 -2.727 1.241 1.330 273 2HE MET 46 HE2 MET 46 -3.136 0.142 2.649 274 3HE MET 46 HE3 MET 46 -2.655 1.802 3.001 275 H LYS 47 HN LYS 47 -5.166 4.291 -3.010 276 HA LYS 47 HA LYS 47 -4.752 2.176 -4.890 277 1HB LYS 47 HB2 LYS 47 -5.329 5.114 -5.334 278 2HB LYS 47 HB1 LYS 47 -5.361 3.881 -6.587 279 1HG LYS 47 HG2 LYS 47 -7.192 4.125 -4.213 280 2HG LYS 47 HG1 LYS 47 -7.603 4.316 -5.918 281 1HD LYS 47 HD2 LYS 47 -6.741 1.774 -4.539 282 2HD LYS 47 HD1 LYS 47 -8.355 2.154 -5.141 283 1HE LYS 47 HE2 LYS 47 -7.320 2.368 -7.431 284 2HE LYS 47 HE1 LYS 47 -5.847 1.690 -6.741 285 1HZ LYS 47 HZ1 LYS 47 -8.192 0.146 -6.138 286 2HZ LYS 47 HZ2 LYS 47 -6.704 -0.352 -6.768 287 3HZ LYS 47 HZ3 LYS 47 -7.894 0.264 -7.800 288 H GLU 48 HN GLU 48 -3.136 5.304 -4.323 289 HA GLU 48 HA GLU 48 -1.140 4.935 -6.289 290 1HB GLU 48 HB2 GLU 48 -0.821 6.573 -3.781 291 2HB GLU 48 HB1 GLU 48 -0.041 6.819 -5.335 292 1HG GLU 48 HG2 GLU 48 -2.866 6.897 -5.700 293 2HG GLU 48 HG1 GLU 48 -2.425 7.969 -4.372 294 H VAL 49 HN VAL 49 -1.152 4.374 -2.782 295 HA VAL 49 HA VAL 49 1.472 3.534 -2.449 296 HB VAL 49 HB VAL 49 -0.855 2.264 -1.009 297 1HG1 VAL 49 HG11 VAL 49 0.943 1.186 -0.155 298 2HG1 VAL 49 HG12 VAL 49 1.029 2.631 0.853 299 3HG1 VAL 49 HG13 VAL 49 2.060 2.486 -0.571 300 1HG2 VAL 49 HG21 VAL 49 0.249 4.501 0.409 301 2HG2 VAL 49 HG22 VAL 49 -1.422 4.193 -0.064 302 3HG2 VAL 49 HG23 VAL 49 -0.331 5.020 -1.173 303 H LEU 50 HN LEU 50 -1.351 1.387 -2.778 304 HA LEU 50 HA LEU 50 0.043 -0.985 -3.152 305 1HB LEU 50 HB2 LEU 50 -2.592 -0.234 -3.037 306 2HB LEU 50 HB1 LEU 50 -2.444 -0.779 -4.696 307 HG LEU 50 HG LEU 50 -1.852 -2.373 -2.207 308 1HD1 LEU 50 HD11 LEU 50 -4.171 -2.322 -2.493 309 2HD1 LEU 50 HD12 LEU 50 -3.669 -3.829 -3.258 310 3HD1 LEU 50 HD13 LEU 50 -4.046 -2.421 -4.250 311 1HD2 LEU 50 HD21 LEU 50 -0.258 -2.881 -4.014 312 2HD2 LEU 50 HD22 LEU 50 -1.614 -3.230 -5.086 313 3HD2 LEU 50 HD23 LEU 50 -1.336 -4.232 -3.661 314 H TYR 51 HN TYR 51 -0.556 1.614 -5.354 315 HA TYR 51 HA TYR 51 -0.096 0.157 -7.761 316 1HB TYR 51 HB2 TYR 51 -1.358 2.269 -7.734 317 2HB TYR 51 HB1 TYR 51 0.098 3.134 -7.255 318 HD1 TYR 51 HD1 TYR 51 -1.712 1.593 -10.005 319 HD2 TYR 51 HD2 TYR 51 1.959 3.407 -8.852 320 HE1 TYR 51 HE1 TYR 51 -1.127 1.902 -12.374 321 HE2 TYR 51 HE2 TYR 51 2.554 3.722 -11.217 322 HH TYR 51 HH TYR 51 0.918 2.190 -13.744 323 H HIS 52 HN HIS 52 1.949 2.535 -6.012 324 HA HIS 52 HA HIS 52 4.213 2.249 -7.596 325 1HB HIS 52 HB2 HIS 52 4.523 2.619 -4.638 326 2HB HIS 52 HB1 HIS 52 5.424 3.358 -5.949 327 HD1 HIS 52 HD1 HIS 52 3.595 4.922 -7.532 328 HD2 HIS 52 HD2 HIS 52 2.985 4.486 -3.445 329 HE1 HIS 52 HE1 HIS 52 2.157 6.870 -6.855 330 HE2 HIS 52 HE2 HIS 52 1.858 6.623 -4.366 331 H LEU 53 HN LEU 53 3.227 0.386 -4.737 332 HA LEU 53 HA LEU 53 5.397 -1.189 -4.315 333 1HB LEU 53 HB2 LEU 53 2.648 -1.213 -3.654 334 2HB LEU 53 HB1 LEU 53 3.058 -2.829 -4.199 335 HG LEU 53 HG LEU 53 4.741 -3.044 -2.538 336 1HD1 LEU 53 HD11 LEU 53 4.500 -0.131 -2.369 337 2HD1 LEU 53 HD12 LEU 53 5.903 -1.176 -2.132 338 3HD1 LEU 53 HD13 LEU 53 4.728 -0.964 -0.831 339 1HD2 LEU 53 HD21 LEU 53 3.251 -2.300 -0.449 340 2HD2 LEU 53 HD22 LEU 53 2.875 -3.707 -1.443 341 3HD2 LEU 53 HD23 LEU 53 2.041 -2.179 -1.726 342 H GLY 54 HN GLY 54 2.788 -1.793 -6.672 343 1HA GLY 54 HA2 GLY 54 3.732 -4.203 -7.708 344 2HA GLY 54 HA1 GLY 54 2.789 -3.027 -8.617 345 H GLN 55 HN GLN 55 4.653 -0.889 -8.430 346 HA GLN 55 HA GLN 55 6.451 -1.662 -10.555 347 1HB GLN 55 HB2 GLN 55 5.923 0.961 -9.157 348 2HB GLN 55 HB1 GLN 55 7.135 0.777 -10.418 349 1HG GLN 55 HG2 GLN 55 5.304 -0.045 -11.921 350 2HG GLN 55 HG1 GLN 55 4.160 0.428 -10.665 351 1HE2 GLN 55 HE21 GLN 55 4.626 2.750 -9.838 352 2HE2 GLN 55 HE22 GLN 55 4.826 3.937 -11.078 353 H TYR 56 HN TYR 56 6.589 -1.113 -7.133 354 HA TYR 56 HA TYR 56 9.388 -0.707 -6.900 355 1HB TYR 56 HB2 TYR 56 7.988 -0.020 -5.077 356 2HB TYR 56 HB1 TYR 56 7.290 -1.629 -4.930 357 HD1 TYR 56 HD1 TYR 56 10.423 0.299 -4.462 358 HD2 TYR 56 HD2 TYR 56 8.266 -3.244 -3.532 359 HE1 TYR 56 HE1 TYR 56 12.140 -0.299 -2.810 360 HE2 TYR 56 HE2 TYR 56 9.970 -3.849 -1.865 361 HH TYR 56 HH TYR 56 11.718 -2.467 -0.431 362 H ILE 57 HN ILE 57 7.319 -3.573 -6.505 363 HA ILE 57 HA ILE 57 9.359 -5.392 -5.872 364 HB ILE 57 HB ILE 57 6.772 -5.982 -7.317 365 1HG1 ILE 57 HG12 ILE 57 7.401 -5.919 -4.358 366 2HG1 ILE 57 HG11 ILE 57 6.375 -4.778 -5.222 367 1HG2 ILE 57 HG21 ILE 57 7.013 -8.231 -6.535 368 2HG2 ILE 57 HG22 ILE 57 8.447 -7.805 -5.600 369 3HG2 ILE 57 HG23 ILE 57 8.503 -7.778 -7.363 370 1HD1 ILE 57 HD11 ILE 57 4.744 -6.467 -5.644 371 2HD1 ILE 57 HD12 ILE 57 5.142 -6.494 -3.926 372 3HD1 ILE 57 HD13 ILE 57 5.807 -7.721 -5.004 373 H MET 58 HN MET 58 7.737 -4.861 -9.014 374 HA MET 58 HA MET 58 9.365 -6.557 -10.514 375 1HB MET 58 HB2 MET 58 8.563 -5.354 -12.475 376 2HB MET 58 HB1 MET 58 7.246 -5.627 -11.343 377 1HG MET 58 HG2 MET 58 6.811 -3.467 -11.258 378 2HG MET 58 HG1 MET 58 8.466 -3.114 -10.766 379 1HE MET 58 HE1 MET 58 8.153 -0.945 -11.648 380 2HE MET 58 HE2 MET 58 8.268 -0.457 -13.339 381 3HE MET 58 HE3 MET 58 9.685 -1.098 -12.508 382 H ALA 59 HN ALA 59 9.893 -3.308 -9.377 383 HA ALA 59 HA ALA 59 12.117 -2.748 -11.093 384 1HB ALA 59 HB1 ALA 59 10.899 -1.426 -8.707 385 2HB ALA 59 HB2 ALA 59 11.117 -0.808 -10.345 386 3HB ALA 59 HB3 ALA 59 12.500 -0.932 -9.258 387 H LYS 60 HN LYS 60 11.882 -3.363 -7.583 388 HA LYS 60 HA LYS 60 14.654 -3.675 -7.188 389 1HB LYS 60 HB2 LYS 60 12.207 -4.381 -5.617 390 2HB LYS 60 HB1 LYS 60 13.767 -5.003 -5.100 391 1HG LYS 60 HG2 LYS 60 13.114 -2.922 -3.957 392 2HG LYS 60 HG1 LYS 60 14.633 -2.778 -4.843 393 1HD LYS 60 HD2 LYS 60 13.395 -1.723 -6.707 394 2HD LYS 60 HD1 LYS 60 11.923 -1.796 -5.738 395 1HE LYS 60 HE2 LYS 60 12.500 0.246 -5.029 396 2HE LYS 60 HE1 LYS 60 13.691 -0.588 -4.031 397 1HZ LYS 60 HZ1 LYS 60 15.127 -0.393 -6.176 398 2HZ LYS 60 HZ2 LYS 60 14.991 0.924 -5.124 399 3HZ LYS 60 HZ3 LYS 60 14.075 0.880 -6.545 400 H GLN 61 HN GLN 61 12.209 -5.815 -8.370 401 HA GLN 61 HA GLN 61 12.325 -7.892 -9.289 402 1HB GLN 61 HB2 GLN 61 14.590 -6.994 -10.094 403 2HB GLN 61 HB1 GLN 61 15.292 -7.918 -8.773 404 1HG GLN 61 HG2 GLN 61 15.356 -9.671 -10.116 405 2HG GLN 61 HG1 GLN 61 13.593 -9.694 -10.095 406 1HE2 GLN 61 HE21 GLN 61 12.921 -7.526 -11.542 407 2HE2 GLN 61 HE22 GLN 61 13.489 -7.677 -13.166 408 H LEU 62 HN LEU 62 11.255 -8.161 -7.063 409 HA LEU 62 HA LEU 62 12.838 -9.980 -5.381 410 1HB LEU 62 HB2 LEU 62 10.188 -8.879 -4.549 411 2HB LEU 62 HB1 LEU 62 11.537 -9.390 -3.554 412 HG LEU 62 HG LEU 62 11.331 -6.837 -5.149 413 1HD1 LEU 62 HD11 LEU 62 11.205 -7.532 -2.242 414 2HD1 LEU 62 HD12 LEU 62 10.131 -6.507 -3.195 415 3HD1 LEU 62 HD13 LEU 62 11.743 -5.935 -2.765 416 1HD2 LEU 62 HD21 LEU 62 13.653 -8.212 -3.908 417 2HD2 LEU 62 HD22 LEU 62 13.546 -6.459 -3.757 418 3HD2 LEU 62 HD23 LEU 62 13.573 -7.207 -5.354 419 H TYR 63 HN TYR 63 10.672 -10.128 -7.851 420 HA TYR 63 HA TYR 63 8.953 -12.203 -6.842 421 1HB TYR 63 HB2 TYR 63 8.165 -12.338 -9.201 422 2HB TYR 63 HB1 TYR 63 8.083 -10.711 -8.534 423 HD1 TYR 63 HD1 TYR 63 10.233 -12.911 -10.634 424 HD2 TYR 63 HD2 TYR 63 9.072 -8.933 -9.672 425 HE1 TYR 63 HE1 TYR 63 11.556 -12.073 -12.530 426 HE2 TYR 63 HE2 TYR 63 10.392 -8.083 -11.565 427 HH TYR 63 HH TYR 63 11.248 -8.979 -13.763 428 H ASP 64 HN ASP 64 8.872 -14.368 -7.672 429 HA ASP 64 HA ASP 64 11.509 -15.509 -7.971 430 1HB ASP 64 HB2 ASP 64 9.851 -16.581 -6.507 431 2HB ASP 64 HB1 ASP 64 8.791 -16.839 -7.889 432 H GLU 65 HN GLU 65 12.278 -16.675 -9.720 433 HA GLU 65 HA GLU 65 11.437 -15.806 -12.281 434 1HB GLU 65 HB2 GLU 65 13.548 -17.521 -11.178 435 2HB GLU 65 HB1 GLU 65 13.004 -18.007 -12.778 436 1HG GLU 65 HG2 GLU 65 13.284 -15.312 -13.075 437 2HG GLU 65 HG1 GLU 65 14.584 -15.697 -11.948 438 H LYS 66 HN LYS 66 11.185 -18.949 -10.629 439 HA LYS 66 HA LYS 66 9.907 -20.362 -12.658 440 1HB LYS 66 HB2 LYS 66 10.265 -20.660 -9.764 441 2HB LYS 66 HB1 LYS 66 8.814 -21.433 -10.388 442 1HG LYS 66 HG2 LYS 66 11.639 -21.906 -11.309 443 2HG LYS 66 HG1 LYS 66 10.630 -23.003 -10.371 444 1HD LYS 66 HD2 LYS 66 8.994 -22.847 -12.358 445 2HD LYS 66 HD1 LYS 66 10.378 -22.209 -13.248 446 1HE LYS 66 HE2 LYS 66 11.654 -24.241 -12.606 447 2HE LYS 66 HE1 LYS 66 10.189 -24.882 -11.865 448 1HZ LYS 66 HZ1 LYS 66 9.192 -24.433 -14.201 449 2HZ LYS 66 HZ2 LYS 66 10.123 -25.821 -13.941 450 3HZ LYS 66 HZ3 LYS 66 10.805 -24.478 -14.710 451 H GLN 67 HN GLN 67 8.435 -18.642 -9.908 452 HA GLN 67 HA GLN 67 5.965 -18.411 -11.498 453 1HB GLN 67 HB2 GLN 67 4.974 -18.197 -9.022 454 2HB GLN 67 HB1 GLN 67 5.126 -19.739 -9.849 455 1HG GLN 67 HG2 GLN 67 7.326 -18.715 -8.102 456 2HG GLN 67 HG1 GLN 67 5.928 -19.542 -7.417 457 1HE2 GLN 67 HE21 GLN 67 8.491 -20.528 -7.148 458 2HE2 GLN 67 HE22 GLN 67 8.633 -21.996 -8.048 459 H GLN 68 HN GLN 68 5.415 -16.394 -11.955 460 HA GLN 68 HA GLN 68 6.850 -14.188 -10.816 461 1HB GLN 68 HB2 GLN 68 4.709 -14.462 -12.899 462 2HB GLN 68 HB1 GLN 68 5.147 -12.877 -12.279 463 1HG GLN 68 HG2 GLN 68 6.465 -13.064 -14.157 464 2HG GLN 68 HG1 GLN 68 7.562 -13.567 -12.871 465 1HE2 GLN 68 HE21 GLN 68 8.430 -15.552 -12.934 466 2HE2 GLN 68 HE22 GLN 68 8.073 -16.746 -14.130 467 H HIS 69 HN HIS 69 3.957 -15.828 -10.027 468 HA HIS 69 HA HIS 69 2.746 -13.545 -8.713 469 1HB HIS 69 HB2 HIS 69 0.882 -14.955 -8.273 470 2HB HIS 69 HB1 HIS 69 1.424 -15.343 -9.901 471 HD1 HIS 69 HD1 HIS 69 2.947 -17.588 -10.064 472 HD2 HIS 69 HD2 HIS 69 0.688 -17.103 -6.611 473 HE1 HIS 69 HE1 HIS 69 2.828 -19.869 -9.013 474 HE2 HIS 69 HE2 HIS 69 1.531 -19.533 -6.880 475 H ILE 70 HN ILE 70 5.344 -15.195 -7.906 476 HA ILE 70 HA ILE 70 4.664 -15.260 -5.040 477 HB ILE 70 HB ILE 70 6.704 -16.989 -6.449 478 1HG1 ILE 70 HG12 ILE 70 4.508 -17.785 -6.998 479 2HG1 ILE 70 HG11 ILE 70 5.162 -18.848 -5.757 480 1HG2 ILE 70 HG21 ILE 70 7.635 -17.020 -4.410 481 2HG2 ILE 70 HG22 ILE 70 6.297 -18.091 -3.991 482 3HG2 ILE 70 HG23 ILE 70 6.193 -16.367 -3.632 483 1HD1 ILE 70 HD11 ILE 70 2.915 -16.924 -5.618 484 2HD1 ILE 70 HD12 ILE 70 3.872 -17.192 -4.162 485 3HD1 ILE 70 HD13 ILE 70 3.065 -18.548 -4.948 486 H VAL 71 HN VAL 71 5.930 -14.121 -3.689 487 HA VAL 71 HA VAL 71 8.387 -12.919 -4.784 488 HB VAL 71 HB VAL 71 6.557 -11.495 -2.860 489 1HG1 VAL 71 HG11 VAL 71 7.852 -9.578 -3.312 490 2HG1 VAL 71 HG12 VAL 71 8.636 -10.338 -4.697 491 3HG1 VAL 71 HG13 VAL 71 9.009 -10.886 -3.062 492 1HG2 VAL 71 HG21 VAL 71 6.215 -10.117 -5.145 493 2HG2 VAL 71 HG22 VAL 71 5.124 -11.396 -4.609 494 3HG2 VAL 71 HG23 VAL 71 6.381 -11.747 -5.798 495 H HIS 72 HN HIS 72 9.947 -14.037 -3.728 496 HA HIS 72 HA HIS 72 9.813 -14.024 -0.788 497 1HB HIS 72 HB2 HIS 72 10.861 -16.207 -0.705 498 2HB HIS 72 HB1 HIS 72 9.398 -16.300 -1.678 499 HD1 HIS 72 HD1 HIS 72 10.040 -15.895 -4.417 500 HD2 HIS 72 HD2 HIS 72 12.895 -17.522 -1.874 501 HE1 HIS 72 HE1 HIS 72 11.688 -17.064 -5.915 502 HE2 HIS 72 HE2 HIS 72 13.358 -18.114 -4.348 503 H CYS 73 HN CYS 73 11.157 -12.356 -0.395 504 HA CYS 73 HA CYS 73 13.946 -12.681 -1.263 505 1HB CYS 73 HB2 CYS 73 12.148 -10.442 -1.775 506 2HB CYS 73 HB1 CYS 73 13.621 -9.940 -0.949 507 HG CYS 73 HG CYS 73 14.790 -10.109 -3.081 508 H SER 74 HN SER 74 14.858 -13.346 0.609 509 HA SER 74 HA SER 74 14.004 -12.542 3.170 510 1HB SER 74 HB2 SER 74 16.823 -13.429 2.802 511 2HB SER 74 HB1 SER 74 15.631 -13.939 3.998 512 HG SER 74 HG SER 74 15.596 -15.636 2.717 513 H ASN 75 HN ASN 75 16.777 -11.423 1.217 514 HA ASN 75 HA ASN 75 17.106 -9.296 3.209 515 1HB ASN 75 HB2 ASN 75 18.853 -10.348 0.995 516 2HB ASN 75 HB1 ASN 75 19.151 -8.762 1.700 517 1HD2 ASN 75 HD21 ASN 75 21.183 -9.566 2.396 518 2HD2 ASN 75 HD22 ASN 75 21.302 -10.553 3.808 519 H ASP 76 HN ASP 76 15.383 -8.015 2.755 520 HA ASP 76 HA ASP 76 15.734 -6.189 0.568 521 1HB ASP 76 HB2 ASP 76 13.892 -8.401 0.265 522 2HB ASP 76 HB1 ASP 76 13.040 -6.861 0.183 523 HA PRO 77 HA PRO 77 14.027 -3.400 3.532 524 1HB PRO 77 HB2 PRO 77 12.662 -2.030 1.302 525 2HB PRO 77 HB1 PRO 77 13.847 -1.410 2.448 526 1HG PRO 77 HG2 PRO 77 14.415 -1.932 -0.153 527 2HG PRO 77 HG1 PRO 77 15.613 -1.985 1.148 528 1HD PRO 77 HD2 PRO 77 14.356 -4.196 -0.346 529 2HD PRO 77 HD1 PRO 77 15.900 -4.138 0.518 530 H LEU 78 HN LEU 78 12.042 -4.884 1.061 531 HA LEU 78 HA LEU 78 9.532 -4.256 2.281 532 1HB LEU 78 HB2 LEU 78 10.034 -4.851 -0.179 533 2HB LEU 78 HB1 LEU 78 10.007 -6.518 0.363 534 HG LEU 78 HG LEU 78 7.700 -6.305 1.064 535 1HD1 LEU 78 HD11 LEU 78 8.185 -3.420 0.503 536 2HD1 LEU 78 HD12 LEU 78 7.343 -4.181 1.853 537 3HD1 LEU 78 HD13 LEU 78 6.565 -4.079 0.273 538 1HD2 LEU 78 HD21 LEU 78 7.784 -6.996 -1.144 539 2HD2 LEU 78 HD22 LEU 78 8.409 -5.448 -1.712 540 3HD2 LEU 78 HD23 LEU 78 6.720 -5.592 -1.224 541 H GLY 79 HN GLY 79 11.514 -7.207 2.051 542 1HA GLY 79 HA2 GLY 79 9.871 -8.884 3.565 543 2HA GLY 79 HA1 GLY 79 11.610 -9.070 3.390 544 H GLU 80 HN GLU 80 12.294 -6.545 4.581 545 HA GLU 80 HA GLU 80 12.249 -7.345 7.328 546 1HB GLU 80 HB2 GLU 80 13.825 -5.685 7.695 547 2HB GLU 80 HB1 GLU 80 14.097 -6.065 6.002 548 1HG GLU 80 HG2 GLU 80 13.977 -3.872 5.672 549 2HG GLU 80 HG1 GLU 80 12.235 -4.074 5.849 550 H LEU 81 HN LEU 81 10.375 -5.229 5.336 551 HA LEU 81 HA LEU 81 9.232 -3.741 7.526 552 1HB LEU 81 HB2 LEU 81 9.513 -2.720 5.317 553 2HB LEU 81 HB1 LEU 81 8.442 -3.917 4.617 554 HG LEU 81 HG LEU 81 6.585 -3.031 5.993 555 1HD1 LEU 81 HD11 LEU 81 6.846 -1.512 7.605 556 2HD1 LEU 81 HD12 LEU 81 7.915 -0.516 6.618 557 3HD1 LEU 81 HD13 LEU 81 8.566 -1.889 7.513 558 1HD2 LEU 81 HD21 LEU 81 7.884 -0.830 4.407 559 2HD2 LEU 81 HD22 LEU 81 6.163 -1.136 4.641 560 3HD2 LEU 81 HD23 LEU 81 7.129 -2.238 3.659 561 H PHE 82 HN PHE 82 7.832 -5.922 5.073 562 HA PHE 82 HA PHE 82 5.380 -6.280 6.389 563 1HB PHE 82 HB2 PHE 82 6.801 -8.077 4.415 564 2HB PHE 82 HB1 PHE 82 5.129 -8.283 4.920 565 HD1 PHE 82 HD1 PHE 82 4.724 -5.134 4.996 566 HD2 PHE 82 HD2 PHE 82 6.126 -7.908 2.089 567 HE1 PHE 82 HE1 PHE 82 3.998 -3.616 3.204 568 HE2 PHE 82 HE2 PHE 82 5.403 -6.393 0.291 569 HZ PHE 82 HZ PHE 82 4.338 -4.244 0.847 570 H GLY 83 HN GLY 83 8.482 -7.774 6.848 571 1HA GLY 83 HA2 GLY 83 9.198 -9.057 8.637 572 2HA GLY 83 HA1 GLY 83 7.556 -9.040 9.263 573 H VAL 84 HN VAL 84 8.609 -10.136 6.074 574 HA VAL 84 HA VAL 84 8.231 -12.920 6.850 575 HB VAL 84 HB VAL 84 6.700 -13.365 4.965 576 1HG1 VAL 84 HG11 VAL 84 5.738 -13.125 7.149 577 2HG1 VAL 84 HG12 VAL 84 4.679 -12.330 5.983 578 3HG1 VAL 84 HG13 VAL 84 5.743 -11.367 7.008 579 1HG2 VAL 84 HG21 VAL 84 6.919 -10.400 4.627 580 2HG2 VAL 84 HG22 VAL 84 5.458 -11.250 4.124 581 3HG2 VAL 84 HG23 VAL 84 7.014 -11.674 3.411 582 H GLN 85 HN GLN 85 9.160 -14.418 5.407 583 HA GLN 85 HA GLN 85 11.306 -13.305 3.812 584 1HB GLN 85 HB2 GLN 85 11.841 -15.156 5.272 585 2HB GLN 85 HB1 GLN 85 10.583 -16.146 4.545 586 1HG GLN 85 HG2 GLN 85 11.817 -16.078 2.411 587 2HG GLN 85 HG1 GLN 85 13.104 -15.181 3.215 588 1HE2 GLN 85 HE21 GLN 85 11.190 -18.136 3.678 589 2HE2 GLN 85 HE22 GLN 85 12.517 -19.121 4.182 590 H GLU 86 HN GLU 86 8.242 -14.895 3.350 591 HA GLU 86 HA GLU 86 8.387 -14.341 0.503 592 1HB GLU 86 HB2 GLU 86 7.597 -16.659 -0.056 593 2HB GLU 86 HB1 GLU 86 9.264 -16.563 0.494 594 1HG GLU 86 HG2 GLU 86 8.255 -17.100 2.822 595 2HG GLU 86 HG1 GLU 86 6.872 -17.673 1.890 596 H PHE 87 HN PHE 87 6.350 -14.239 -0.511 597 HA PHE 87 HA PHE 87 3.946 -14.850 0.927 598 1HB PHE 87 HB2 PHE 87 3.097 -12.592 1.151 599 2HB PHE 87 HB1 PHE 87 4.631 -12.718 2.003 600 HD1 PHE 87 HD1 PHE 87 2.852 -11.197 -0.777 601 HD2 PHE 87 HD2 PHE 87 6.637 -11.636 1.119 602 HE1 PHE 87 HE1 PHE 87 3.707 -9.272 -2.048 603 HE2 PHE 87 HE2 PHE 87 7.499 -9.711 -0.148 604 HZ PHE 87 HZ PHE 87 6.033 -8.526 -1.733 605 H SER 88 HN SER 88 2.468 -15.418 -0.522 606 HA SER 88 HA SER 88 2.920 -14.949 -3.322 607 1HB SER 88 HB2 SER 88 0.476 -16.188 -2.043 608 2HB SER 88 HB1 SER 88 1.043 -16.396 -3.700 609 HG SER 88 HG SER 88 2.269 -17.330 -1.321 610 H VAL 89 HN VAL 89 1.682 -13.711 -4.726 611 HA VAL 89 HA VAL 89 0.270 -11.513 -3.456 612 HB VAL 89 HB VAL 89 0.100 -10.700 -5.910 613 1HG1 VAL 89 HG11 VAL 89 1.472 -9.440 -4.583 614 2HG1 VAL 89 HG12 VAL 89 2.640 -10.074 -5.744 615 3HG1 VAL 89 HG13 VAL 89 2.496 -10.807 -4.146 616 1HG2 VAL 89 HG21 VAL 89 0.792 -12.974 -6.797 617 2HG2 VAL 89 HG22 VAL 89 2.423 -12.577 -6.255 618 3HG2 VAL 89 HG23 VAL 89 1.632 -11.577 -7.472 619 H LYS 90 HN LYS 90 -0.769 -14.423 -4.037 620 HA LYS 90 HA LYS 90 -3.078 -13.918 -5.685 621 1HB LYS 90 HB2 LYS 90 -1.885 -16.250 -4.310 622 2HB LYS 90 HB1 LYS 90 -3.634 -16.283 -4.489 623 1HG LYS 90 HG2 LYS 90 -3.474 -16.143 -6.858 624 2HG LYS 90 HG1 LYS 90 -1.742 -15.812 -6.779 625 1HD LYS 90 HD2 LYS 90 -1.208 -17.994 -6.315 626 2HD LYS 90 HD1 LYS 90 -2.765 -18.325 -5.554 627 1HE LYS 90 HE2 LYS 90 -3.734 -18.914 -7.500 628 2HE LYS 90 HE1 LYS 90 -2.896 -17.660 -8.412 629 1HZ LYS 90 HZ1 LYS 90 -2.049 -20.401 -7.811 630 2HZ LYS 90 HZ2 LYS 90 -0.857 -19.213 -7.979 631 3HZ LYS 90 HZ3 LYS 90 -1.923 -19.526 -9.254 632 H GLU 91 HN GLU 91 -2.308 -14.026 -2.278 633 HA GLU 91 HA GLU 91 -5.121 -13.703 -1.549 634 1HB GLU 91 HB2 GLU 91 -2.626 -14.180 0.078 635 2HB GLU 91 HB1 GLU 91 -4.182 -13.816 0.810 636 1HG GLU 91 HG2 GLU 91 -4.588 -15.913 -1.041 637 2HG GLU 91 HG1 GLU 91 -3.165 -16.315 -0.081 638 H HIS 92 HN HIS 92 -5.327 -11.589 -2.465 639 HA HIS 92 HA HIS 92 -3.752 -9.379 -1.882 640 1HB HIS 92 HB2 HIS 92 -6.694 -9.611 -2.507 641 2HB HIS 92 HB1 HIS 92 -5.881 -8.059 -2.337 642 HD1 HIS 92 HD1 HIS 92 -7.173 -8.887 -5.007 643 HD2 HIS 92 HD2 HIS 92 -3.171 -9.490 -4.061 644 HE1 HIS 92 HE1 HIS 92 -5.981 -9.071 -7.213 645 HE2 HIS 92 HE2 HIS 92 -3.574 -9.515 -6.616 646 H ARG 93 HN ARG 93 -6.162 -10.972 0.063 647 HA ARG 93 HA ARG 93 -6.692 -8.899 1.891 648 1HB ARG 93 HB2 ARG 93 -7.800 -11.272 1.527 649 2HB ARG 93 HB1 ARG 93 -6.676 -11.744 2.794 650 1HG ARG 93 HG2 ARG 93 -7.616 -10.025 4.262 651 2HG ARG 93 HG1 ARG 93 -8.755 -9.575 2.992 652 1HD ARG 93 HD2 ARG 93 -9.182 -12.247 3.147 653 2HD ARG 93 HD1 ARG 93 -8.766 -11.878 4.820 654 HE ARG 93 HE ARG 93 -10.593 -9.977 4.180 655 1HH1 ARG 93 HH11 ARG 93 -10.571 -13.462 3.995 656 2HH1 ARG 93 HH12 ARG 93 -12.280 -13.610 4.232 657 1HH2 ARG 93 HH21 ARG 93 -12.841 -10.170 4.491 658 2HH2 ARG 93 HH22 ARG 93 -13.569 -11.741 4.513 659 H ARG 94 HN ARG 94 -4.191 -11.384 1.796 660 HA ARG 94 HA ARG 94 -3.138 -10.908 4.373 661 1HB ARG 94 HB2 ARG 94 -2.709 -12.790 2.478 662 2HB ARG 94 HB1 ARG 94 -1.270 -11.803 2.261 663 1HG ARG 94 HG2 ARG 94 -0.758 -12.067 4.655 664 2HG ARG 94 HG1 ARG 94 -2.167 -13.116 4.818 665 1HD ARG 94 HD2 ARG 94 -1.178 -14.630 3.125 666 2HD ARG 94 HD1 ARG 94 0.258 -13.609 3.096 667 HE ARG 94 HE ARG 94 0.923 -14.536 5.084 668 1HH1 ARG 94 HH11 ARG 94 -2.421 -15.351 4.509 669 2HH1 ARG 94 HH12 ARG 94 -2.502 -16.477 5.822 670 1HH2 ARG 94 HH21 ARG 94 0.818 -16.016 6.812 671 2HH2 ARG 94 HH22 ARG 94 -0.664 -16.854 7.130 672 H ILE 95 HN ILE 95 -2.174 -9.713 1.168 673 HA ILE 95 HA ILE 95 -0.012 -8.139 2.084 674 HB ILE 95 HB ILE 95 -1.661 -7.750 -0.415 675 1HG1 ILE 95 HG12 ILE 95 0.805 -9.424 0.106 676 2HG1 ILE 95 HG11 ILE 95 -0.798 -10.018 -0.310 677 1HG2 ILE 95 HG21 ILE 95 0.489 -6.755 -1.265 678 2HG2 ILE 95 HG22 ILE 95 1.062 -6.761 0.403 679 3HG2 ILE 95 HG23 ILE 95 -0.353 -5.806 -0.040 680 1HD1 ILE 95 HD11 ILE 95 0.968 -9.950 -2.140 681 2HD1 ILE 95 HD12 ILE 95 0.720 -8.204 -2.140 682 3HD1 ILE 95 HD13 ILE 95 -0.622 -9.286 -2.511 683 H TYR 96 HN TYR 96 -3.254 -7.124 0.974 684 HA TYR 96 HA TYR 96 -3.142 -4.450 1.524 685 1HB TYR 96 HB2 TYR 96 -5.067 -5.799 0.522 686 2HB TYR 96 HB1 TYR 96 -5.580 -6.100 2.179 687 HD1 TYR 96 HD1 TYR 96 -6.788 -4.472 3.391 688 HD2 TYR 96 HD2 TYR 96 -4.974 -3.426 -0.313 689 HE1 TYR 96 HE1 TYR 96 -8.003 -2.335 3.406 690 HE2 TYR 96 HE2 TYR 96 -6.184 -1.285 -0.307 691 HH TYR 96 HH TYR 96 -8.453 -0.456 0.813 692 H ALA 97 HN ALA 97 -3.351 -7.069 3.806 693 HA ALA 97 HA ALA 97 -4.121 -5.445 6.039 694 1HB ALA 97 HB1 ALA 97 -4.161 -7.377 7.261 695 2HB ALA 97 HB2 ALA 97 -2.778 -8.073 6.416 696 3HB ALA 97 HB3 ALA 97 -4.360 -8.035 5.637 697 H MET 98 HN MET 98 -1.096 -7.218 5.322 698 HA MET 98 HA MET 98 0.430 -6.085 7.356 699 1HB MET 98 HB2 MET 98 2.321 -7.018 6.304 700 2HB MET 98 HB1 MET 98 0.989 -8.086 5.890 701 1HG MET 98 HG2 MET 98 0.868 -6.565 3.753 702 2HG MET 98 HG1 MET 98 2.551 -6.247 4.165 703 1HE MET 98 HE1 MET 98 2.041 -8.293 1.147 704 2HE MET 98 HE2 MET 98 3.722 -8.370 1.673 705 3HE MET 98 HE3 MET 98 2.800 -6.880 1.879 706 H ILE 99 HN ILE 99 -0.157 -4.919 4.075 707 HA ILE 99 HA ILE 99 1.725 -2.787 4.207 708 HB ILE 99 HB ILE 99 0.500 -1.851 2.266 709 1HG1 ILE 99 HG12 ILE 99 -1.215 -3.873 1.486 710 2HG1 ILE 99 HG11 ILE 99 -1.526 -3.737 3.214 711 1HG2 ILE 99 HG21 ILE 99 2.227 -3.345 1.723 712 2HG2 ILE 99 HG22 ILE 99 0.842 -3.887 0.774 713 3HG2 ILE 99 HG23 ILE 99 1.294 -4.747 2.246 714 1HD1 ILE 99 HD11 ILE 99 -3.027 -2.230 2.419 715 2HD1 ILE 99 HD12 ILE 99 -2.026 -1.794 1.034 716 3HD1 ILE 99 HD13 ILE 99 -1.635 -1.170 2.636 717 H SER 100 HN SER 100 -1.592 -3.196 5.205 718 HA SER 100 HA SER 100 -2.114 -0.404 5.591 719 1HB SER 100 HB2 SER 100 -3.551 -2.953 6.203 720 2HB SER 100 HB1 SER 100 -4.042 -1.486 7.049 721 HG SER 100 HG SER 100 -3.931 -1.875 4.240 722 H ARG 101 HN ARG 101 -1.283 -3.132 7.694 723 HA ARG 101 HA ARG 101 -1.317 -1.627 10.092 724 1HB ARG 101 HB2 ARG 101 0.058 -3.581 10.986 725 2HB ARG 101 HB1 ARG 101 -1.557 -3.936 10.399 726 1HG ARG 101 HG2 ARG 101 -0.198 -4.372 8.172 727 2HG ARG 101 HG1 ARG 101 1.082 -4.707 9.334 728 1HD ARG 101 HD2 ARG 101 -1.128 -6.006 10.383 729 2HD ARG 101 HD1 ARG 101 -1.260 -6.280 8.646 730 HE ARG 101 HE ARG 101 1.324 -6.865 9.149 731 1HH1 ARG 101 HH11 ARG 101 -1.665 -7.909 10.619 732 2HH1 ARG 101 HH12 ARG 101 -1.046 -9.463 11.067 733 1HH2 ARG 101 HH21 ARG 101 2.138 -8.908 9.736 734 2HH2 ARG 101 HH22 ARG 101 1.113 -10.031 10.567 735 H ASN 102 HN ASN 102 0.838 -1.614 7.519 736 HA ASN 102 HA ASN 102 3.118 -0.844 9.183 737 1HB ASN 102 HB2 ASN 102 2.836 -1.608 6.286 738 2HB ASN 102 HB1 ASN 102 4.296 -0.835 6.893 739 1HD2 ASN 102 HD21 ASN 102 4.419 -3.316 5.774 740 2HD2 ASN 102 HD22 ASN 102 4.763 -4.493 6.990 741 H LEU 103 HN LEU 103 0.787 0.880 8.898 742 HA LEU 103 HA LEU 103 2.051 3.171 7.537 743 1HB LEU 103 HB2 LEU 103 -0.895 2.986 8.068 744 2HB LEU 103 HB1 LEU 103 -0.049 4.011 6.925 745 HG LEU 103 HG LEU 103 -0.114 1.023 6.603 746 1HD1 LEU 103 HD11 LEU 103 -2.370 1.343 6.503 747 2HD1 LEU 103 HD12 LEU 103 -1.941 1.745 4.841 748 3HD1 LEU 103 HD13 LEU 103 -2.222 3.030 6.015 749 1HD2 LEU 103 HD21 LEU 103 0.864 1.382 4.611 750 2HD2 LEU 103 HD22 LEU 103 1.353 2.915 5.331 751 3HD2 LEU 103 HD23 LEU 103 -0.073 2.842 4.297 752 H VAL 104 HN VAL 104 2.655 4.784 8.822 753 HA VAL 104 HA VAL 104 2.188 4.733 11.615 754 HB VAL 104 HB VAL 104 3.273 6.965 11.648 755 1HG1 VAL 104 HG11 VAL 104 4.511 4.754 11.580 756 2HG1 VAL 104 HG12 VAL 104 5.431 6.184 11.113 757 3HG1 VAL 104 HG13 VAL 104 4.814 5.089 9.876 758 1HG2 VAL 104 HG21 VAL 104 4.329 7.566 9.331 759 2HG2 VAL 104 HG22 VAL 104 2.697 8.101 9.730 760 3HG2 VAL 104 HG23 VAL 104 2.935 6.695 8.693 761 H SER 105 HN SER 105 0.988 6.894 9.052 762 HA SER 105 HA SER 105 -1.088 7.832 10.911 763 1HB SER 105 HB2 SER 105 0.580 9.438 9.668 764 2HB SER 105 HB1 SER 105 -0.514 9.196 8.306 765 HG SER 105 HG SER 105 -2.222 9.895 9.697 766 H ALA 106 HN ALA 106 -3.018 6.933 10.651 767 HA ALA 106 HA ALA 106 -3.791 6.012 7.960 768 1HB ALA 106 HB1 ALA 106 -4.462 4.944 10.684 769 2HB ALA 106 HB2 ALA 106 -3.702 4.111 9.329 770 3HB ALA 106 HB3 ALA 106 -5.414 4.530 9.259 771 H ASN 107 HN ASN 107 -5.143 7.400 7.019 772 HA ASN 107 HA ASN 107 -6.931 9.024 8.654 773 1HB ASN 107 HB2 ASN 107 -5.977 9.134 5.820 774 2HB ASN 107 HB1 ASN 107 -7.480 9.946 6.247 775 1HD2 ASN 107 HD21 ASN 107 -4.366 10.504 5.749 776 2HD2 ASN 107 HD22 ASN 107 -4.090 11.818 6.837 777 H VAL 108 HN VAL 108 -8.685 7.895 9.270 778 HA VAL 108 HA VAL 108 -10.051 6.194 7.327 779 HB VAL 108 HB VAL 108 -9.538 5.517 9.782 780 1HG1 VAL 108 HG11 VAL 108 -10.520 7.554 10.784 781 2HG1 VAL 108 HG12 VAL 108 -11.239 6.066 11.402 782 3HG1 VAL 108 HG13 VAL 108 -12.106 7.036 10.210 783 1HG2 VAL 108 HG21 VAL 108 -11.178 4.529 7.940 784 2HG2 VAL 108 HG22 VAL 108 -12.385 4.998 9.137 785 3HG2 VAL 108 HG23 VAL 108 -11.098 3.875 9.576 786 H LYS 109 HN LYS 109 -12.405 6.317 7.140 787 HA LYS 109 HA LYS 109 -13.250 9.037 6.757 788 1HB LYS 109 HB2 LYS 109 -13.923 7.551 5.055 789 2HB LYS 109 HB1 LYS 109 -14.481 6.347 6.206 790 1HG LYS 109 HG2 LYS 109 -16.354 7.760 6.811 791 2HG LYS 109 HG1 LYS 109 -15.783 9.017 5.712 792 1HD LYS 109 HD2 LYS 109 -17.452 7.902 4.503 793 2HD LYS 109 HD1 LYS 109 -15.942 7.229 3.885 794 1HE LYS 109 HE2 LYS 109 -16.891 5.239 4.282 795 2HE LYS 109 HE1 LYS 109 -16.495 5.557 5.970 796 1HZ LYS 109 HZ1 LYS 109 -19.029 6.566 4.879 797 2HZ LYS 109 HZ2 LYS 109 -18.647 6.116 6.464 798 3HZ LYS 109 HZ3 LYS 109 -18.906 4.929 5.287 799 H GLU 110 HN GLU 110 -14.356 10.245 8.147 800 HA GLU 110 HA GLU 110 -16.249 9.079 9.989 801 1HB GLU 110 HB2 GLU 110 -15.197 10.070 11.998 802 2HB GLU 110 HB1 GLU 110 -14.214 8.804 11.274 803 1HG GLU 110 HG2 GLU 110 -13.313 11.110 10.054 804 2HG GLU 110 HG1 GLU 110 -13.612 11.601 11.720 805 H SER 111 HN SER 111 -17.643 10.397 8.700 806 HA SER 111 HA SER 111 -17.300 13.255 8.677 807 1HB SER 111 HB2 SER 111 -18.593 11.565 7.014 808 2HB SER 111 HB1 SER 111 -19.948 12.104 8.006 809 HG SER 111 HG SER 111 -19.251 13.374 6.022 810 H SER 112 HN SER 112 -18.460 14.784 9.810 811 HA SER 112 HA SER 112 -19.644 13.837 12.299 812 1HB SER 112 HB2 SER 112 -18.730 16.549 11.342 813 2HB SER 112 HB1 SER 112 -19.632 16.337 12.843 814 HG SER 112 HG SER 112 -17.240 16.306 12.955 815 H GLU 113 HN GLU 113 -21.743 13.375 12.235 816 HA GLU 113 HA GLU 113 -23.553 14.400 10.322 817 1HB GLU 113 HB2 GLU 113 -24.258 13.169 12.988 818 2HB GLU 113 HB1 GLU 113 -25.264 13.235 11.548 819 1HG GLU 113 HG2 GLU 113 -23.645 11.781 10.390 820 2HG GLU 113 HG1 GLU 113 -22.720 11.664 11.886 821 H ASP 114 HN ASP 114 -24.791 16.173 10.307 822 HA ASP 114 HA ASP 114 -24.516 18.059 12.503 823 1HB ASP 114 HB2 ASP 114 -25.606 19.657 10.973 824 2HB ASP 114 HB1 ASP 114 -24.209 18.889 10.225 825 H ILE 115 HN ILE 115 -26.083 18.570 13.920 826 HA ILE 115 HA ILE 115 -28.690 17.287 13.591 827 HB ILE 115 HB ILE 115 -27.345 18.150 16.148 828 1HG1 ILE 115 HG12 ILE 115 -26.263 16.198 15.135 829 2HG1 ILE 115 HG11 ILE 115 -27.140 15.749 16.588 830 1HG2 ILE 115 HG21 ILE 115 -30.068 17.222 15.492 831 2HG2 ILE 115 HG22 ILE 115 -29.502 18.241 16.815 832 3HG2 ILE 115 HG23 ILE 115 -29.319 16.489 16.911 833 1HD1 ILE 115 HD11 ILE 115 -27.676 15.048 13.765 834 2HD1 ILE 115 HD12 ILE 115 -29.049 15.207 14.863 835 3HD1 ILE 115 HD13 ILE 115 -27.763 14.054 15.219 836 H PHE 116 HN PHE 116 -29.907 18.770 12.668 837 HA PHE 116 HA PHE 116 -29.969 21.486 13.793 838 1HB PHE 116 HB2 PHE 116 -30.181 20.433 11.067 839 2HB PHE 116 HB1 PHE 116 -31.436 21.603 11.461 840 HD1 PHE 116 HD1 PHE 116 -28.152 21.188 10.295 841 HD2 PHE 116 HD2 PHE 116 -30.591 23.802 12.603 842 HE1 PHE 116 HE1 PHE 116 -26.560 23.021 9.894 843 HE2 PHE 116 HE2 PHE 116 -29.004 25.640 12.205 844 HZ PHE 116 HZ PHE 116 -26.986 25.251 10.849 845 H GLY 117 HN GLY 117 -31.867 18.644 13.108 846 1HA GLY 117 HA2 GLY 117 -33.752 18.253 14.635 847 2HA GLY 117 HA1 GLY 117 -34.169 19.947 14.428 848 H ASN 118 HN ASN 118 -33.176 17.766 11.850 849 HA ASN 118 HA ASN 118 -35.923 17.859 10.791 850 1HB ASN 118 HB2 ASN 118 -33.909 19.249 9.672 851 2HB ASN 118 HB1 ASN 118 -33.680 17.705 8.855 852 1HD2 ASN 118 HD21 ASN 118 -34.282 18.505 6.866 853 2HD2 ASN 118 HD22 ASN 118 -35.914 18.920 6.483 854 H VAL 119 HN VAL 119 -36.715 15.866 10.913 855 HA VAL 119 HA VAL 119 -34.981 13.551 10.755 856 HB VAL 119 HB VAL 119 -37.097 12.261 11.110 857 1HG1 VAL 119 HG11 VAL 119 -35.957 14.252 12.965 858 2HG1 VAL 119 HG12 VAL 119 -36.115 12.503 13.130 859 3HG1 VAL 119 HG13 VAL 119 -37.504 13.547 13.435 860 1HG2 VAL 119 HG21 VAL 119 -39.146 13.209 11.172 861 2HG2 VAL 119 HG22 VAL 119 -38.379 14.428 10.153 862 3HG2 VAL 119 HG23 VAL 119 -38.550 14.707 11.886 863 H30 IMY 120 1H30 IMY 120 0.460 -13.772 -12.663 864 1H30 IMY 120 2H30 IMY 120 0.311 -14.374 -10.965 865 2H30 IMY 120 3H30 IMY 120 1.456 -15.117 -12.089 866 H26 IMY 120 H26 IMY 120 -0.451 -12.409 -10.554 867 H25 IMY 120 H25 IMY 120 -0.901 -10.176 -9.725 868 H31 IMY 120 H31 IMY 120 5.131 -9.582 -11.244 869 1H32 IMY 120 1H32 IMY 120 5.457 -7.806 -8.739 870 2H32 IMY 120 2H32 IMY 120 6.764 -8.382 -9.785 871 3H32 IMY 120 3H32 IMY 120 5.598 -7.181 -10.370 872 1H33 IMY 120 1H33 IMY 120 4.311 -11.236 -9.652 873 2H33 IMY 120 2H33 IMY 120 5.957 -10.747 -9.220 874 3H33 IMY 120 3H33 IMY 120 4.556 -10.140 -8.303 875 H28 IMY 120 H28 IMY 120 3.654 -11.407 -11.209 876 H4 IMY 120 H4 IMY 120 -1.140 -6.262 -9.000 877 H3 IMY 120 H3 IMY 120 0.852 -5.097 -8.608 878 H18 IMY 120 H18 IMY 120 2.760 -8.039 -7.331 879 H17 IMY 120 H17 IMY 120 3.796 -8.149 -5.130 880 H15 IMY 120 H15 IMY 120 1.899 -4.525 -3.958 881 H14 IMY 120 H14 IMY 120 0.792 -4.361 -6.155 882 H20 IMY 120 H20 IMY 120 -2.596 -4.960 -7.636 883 H21 IMY 120 H21 IMY 120 -3.978 -4.792 -5.628 884 H23 IMY 120 H23 IMY 120 -1.815 -8.044 -3.834 885 H24 IMY 120 H24 IMY 120 -0.521 -8.334 -5.879 Start of MODEL 17 1 1H ASN 13 HT1 ASN 13 -25.705 7.377 -4.385 2 2H ASN 13 HT2 ASN 13 -24.878 6.471 -3.185 3 3H ASN 13 HT3 ASN 13 -24.337 6.438 -4.814 4 HA ASN 13 HA ASN 13 -24.424 8.859 -3.149 5 1HB ASN 13 HB2 ASN 13 -21.956 8.501 -2.965 6 2HB ASN 13 HB1 ASN 13 -22.906 7.275 -2.131 7 1HD2 ASN 13 HD21 ASN 13 -20.452 6.555 -2.555 8 2HD2 ASN 13 HD22 ASN 13 -20.296 5.457 -3.879 9 H HIS 14 HN HIS 14 -23.728 10.672 -4.187 10 HA HIS 14 HA HIS 14 -23.512 10.507 -7.078 11 1HB HIS 14 HB2 HIS 14 -24.199 12.575 -5.110 12 2HB HIS 14 HB1 HIS 14 -23.216 13.166 -6.446 13 HD1 HIS 14 HD1 HIS 14 -26.001 10.591 -6.591 14 HD2 HIS 14 HD2 HIS 14 -25.082 14.390 -8.000 15 HE1 HIS 14 HE1 HIS 14 -27.864 11.190 -8.171 16 HE2 HIS 14 HE2 HIS 14 -27.241 13.458 -9.077 17 H ILE 15 HN ILE 15 -21.805 11.515 -8.274 18 HA ILE 15 HA ILE 15 -19.217 11.112 -7.029 19 HB ILE 15 HB ILE 15 -19.773 11.975 -9.865 20 1HG1 ILE 15 HG12 ILE 15 -19.283 9.146 -8.941 21 2HG1 ILE 15 HG11 ILE 15 -20.906 9.803 -9.125 22 1HG2 ILE 15 HG21 ILE 15 -17.384 10.733 -8.515 23 2HG2 ILE 15 HG22 ILE 15 -17.496 12.338 -9.238 24 3HG2 ILE 15 HG23 ILE 15 -17.555 10.904 -10.262 25 1HD1 ILE 15 HD11 ILE 15 -18.907 9.072 -11.183 26 2HD1 ILE 15 HD12 ILE 15 -19.989 10.423 -11.523 27 3HD1 ILE 15 HD13 ILE 15 -20.654 8.830 -11.157 28 H SER 16 HN SER 16 -20.956 13.741 -8.666 29 HA SER 16 HA SER 16 -20.793 16.029 -8.460 30 1HB SER 16 HB2 SER 16 -18.856 15.592 -6.183 31 2HB SER 16 HB1 SER 16 -19.890 16.990 -6.478 32 HG SER 16 HG SER 16 -21.149 15.962 -5.124 33 H THR 17 HN THR 17 -17.550 14.881 -7.507 34 HA THR 17 HA THR 17 -16.410 15.699 -10.017 35 HB THR 17 HB THR 17 -16.465 17.876 -9.045 36 HG1 THR 17 HG1 THR 17 -14.402 17.095 -9.933 37 1HG2 THR 17 HG21 THR 17 -14.842 17.303 -6.678 38 2HG2 THR 17 HG22 THR 17 -16.502 16.711 -6.606 39 3HG2 THR 17 HG23 THR 17 -16.187 18.422 -6.897 40 H SER 18 HN SER 18 -15.758 14.856 -6.632 41 HA SER 18 HA SER 18 -13.435 13.291 -7.525 42 1HB SER 18 HB2 SER 18 -13.132 13.242 -4.877 43 2HB SER 18 HB1 SER 18 -12.573 14.604 -5.848 44 HG SER 18 HG SER 18 -14.076 15.829 -5.004 45 H ASP 19 HN ASP 19 -14.136 11.303 -8.051 46 HA ASP 19 HA ASP 19 -16.319 9.971 -6.885 47 1HB ASP 19 HB2 ASP 19 -15.322 7.922 -7.960 48 2HB ASP 19 HB1 ASP 19 -15.570 9.280 -9.052 49 H GLN 20 HN GLN 20 -12.984 10.231 -5.948 50 HA GLN 20 HA GLN 20 -12.963 7.981 -4.191 51 1HB GLN 20 HB2 GLN 20 -10.825 8.552 -4.843 52 2HB GLN 20 HB1 GLN 20 -11.148 10.277 -4.774 53 1HG GLN 20 HG2 GLN 20 -11.058 10.210 -2.344 54 2HG GLN 20 HG1 GLN 20 -10.772 8.471 -2.393 55 1HE2 GLN 20 HE21 GLN 20 -8.925 8.085 -4.226 56 2HE2 GLN 20 HE22 GLN 20 -7.471 8.950 -3.873 57 H GLU 21 HN GLU 21 -13.917 7.832 -2.274 58 HA GLU 21 HA GLU 21 -13.997 10.101 -0.482 59 1HB GLU 21 HB2 GLU 21 -16.533 8.809 -1.499 60 2HB GLU 21 HB1 GLU 21 -16.459 9.883 -0.109 61 1HG GLU 21 HG2 GLU 21 -15.356 11.535 -1.786 62 2HG GLU 21 HG1 GLU 21 -16.108 10.506 -3.003 63 H LYS 22 HN LYS 22 -12.768 7.467 -0.536 64 HA LYS 22 HA LYS 22 -13.710 6.562 2.058 65 1HB LYS 22 HB2 LYS 22 -13.967 4.286 1.486 66 2HB LYS 22 HB1 LYS 22 -14.847 5.180 0.258 67 1HG LYS 22 HG2 LYS 22 -12.039 4.177 -0.134 68 2HG LYS 22 HG1 LYS 22 -13.476 3.249 -0.564 69 1HD LYS 22 HD2 LYS 22 -13.869 4.482 -2.396 70 2HD LYS 22 HD1 LYS 22 -13.484 5.993 -1.571 71 1HE LYS 22 HE2 LYS 22 -11.032 4.829 -1.738 72 2HE LYS 22 HE1 LYS 22 -11.791 4.250 -3.220 73 1HZ LYS 22 HZ1 LYS 22 -11.811 6.299 -4.114 74 2HZ LYS 22 HZ2 LYS 22 -10.550 6.589 -3.025 75 3HZ LYS 22 HZ3 LYS 22 -12.123 7.076 -2.644 76 H LEU 23 HN LEU 23 -12.045 6.155 3.396 77 HA LEU 23 HA LEU 23 -9.401 5.766 2.161 78 1HB LEU 23 HB2 LEU 23 -9.669 7.033 4.845 79 2HB LEU 23 HB1 LEU 23 -8.391 7.199 3.659 80 HG LEU 23 HG LEU 23 -10.842 8.266 2.589 81 1HD1 LEU 23 HD11 LEU 23 -10.986 10.208 4.165 82 2HD1 LEU 23 HD12 LEU 23 -10.001 9.279 5.296 83 3HD1 LEU 23 HD13 LEU 23 -11.588 8.680 4.809 84 1HD2 LEU 23 HD21 LEU 23 -9.452 9.865 1.816 85 2HD2 LEU 23 HD22 LEU 23 -8.206 8.712 2.294 86 3HD2 LEU 23 HD23 LEU 23 -8.627 10.050 3.364 87 H VAL 24 HN VAL 24 -7.826 4.628 3.393 88 HA VAL 24 HA VAL 24 -8.966 2.752 5.351 89 HB VAL 24 HB VAL 24 -6.977 1.244 4.447 90 1HG1 VAL 24 HG11 VAL 24 -9.177 0.414 4.476 91 2HG1 VAL 24 HG12 VAL 24 -8.643 0.253 2.803 92 3HG1 VAL 24 HG13 VAL 24 -9.719 1.572 3.262 93 1HG2 VAL 24 HG21 VAL 24 -6.030 2.657 2.809 94 2HG2 VAL 24 HG22 VAL 24 -7.607 3.070 2.137 95 3HG2 VAL 24 HG23 VAL 24 -6.949 1.449 1.908 96 H GLN 25 HN GLN 25 -7.328 1.905 6.923 97 HA GLN 25 HA GLN 25 -5.163 3.865 7.319 98 1HB GLN 25 HB2 GLN 25 -6.939 4.265 8.918 99 2HB GLN 25 HB1 GLN 25 -6.924 2.578 9.403 100 1HG GLN 25 HG2 GLN 25 -5.621 3.286 11.067 101 2HG GLN 25 HG1 GLN 25 -4.343 3.278 9.855 102 1HE2 GLN 25 HE21 GLN 25 -3.663 4.868 11.669 103 2HE2 GLN 25 HE22 GLN 25 -4.017 6.529 11.354 104 HA PRO 26 HA PRO 26 -2.849 -0.049 6.979 105 1HB PRO 26 HB2 PRO 26 -0.610 1.893 7.045 106 2HB PRO 26 HB1 PRO 26 -0.945 0.612 5.879 107 1HG PRO 26 HG2 PRO 26 -1.318 3.166 5.230 108 2HG PRO 26 HG1 PRO 26 -2.456 1.919 4.686 109 1HD PRO 26 HD2 PRO 26 -2.722 3.871 6.947 110 2HD PRO 26 HD1 PRO 26 -3.930 3.375 5.742 111 H THR 27 HN THR 27 -1.048 -0.950 8.281 112 HA THR 27 HA THR 27 -1.386 -0.275 11.068 113 HB THR 27 HB THR 27 0.265 -2.186 11.382 114 HG1 THR 27 HG1 THR 27 1.329 -2.471 9.563 115 1HG2 THR 27 HG21 THR 27 -1.447 -3.581 11.498 116 2HG2 THR 27 HG22 THR 27 -1.716 -3.509 9.756 117 3HG2 THR 27 HG23 THR 27 -2.437 -2.293 10.811 118 HA PRO 28 HA PRO 28 2.048 2.334 11.934 119 1HB PRO 28 HB2 PRO 28 3.542 0.608 13.629 120 2HB PRO 28 HB1 PRO 28 2.408 1.868 14.117 121 1HG PRO 28 HG2 PRO 28 1.995 -1.058 13.874 122 2HG PRO 28 HG1 PRO 28 1.211 0.106 14.954 123 1HD PRO 28 HD2 PRO 28 -0.075 -0.943 12.845 124 2HD PRO 28 HD1 PRO 28 -0.338 0.741 13.348 125 H LEU 29 HN LEU 29 2.700 -0.999 11.040 126 HA LEU 29 HA LEU 29 5.422 -0.513 10.260 127 1HB LEU 29 HB2 LEU 29 4.573 -2.735 11.002 128 2HB LEU 29 HB1 LEU 29 3.616 -2.822 9.536 129 HG LEU 29 HG LEU 29 5.575 -2.955 8.166 130 1HD1 LEU 29 HD11 LEU 29 7.801 -3.158 9.669 131 2HD1 LEU 29 HD12 LEU 29 6.907 -1.951 10.593 132 3HD1 LEU 29 HD13 LEU 29 7.274 -1.666 8.891 133 1HD2 LEU 29 HD21 LEU 29 6.512 -5.039 8.900 134 2HD2 LEU 29 HD22 LEU 29 4.798 -5.018 9.312 135 3HD2 LEU 29 HD23 LEU 29 6.008 -4.731 10.562 136 H LEU 30 HN LEU 30 2.431 -1.249 8.454 137 HA LEU 30 HA LEU 30 3.447 -0.824 5.891 138 1HB LEU 30 HB2 LEU 30 1.209 -1.824 6.538 139 2HB LEU 30 HB1 LEU 30 0.633 -0.185 6.767 140 HG LEU 30 HG LEU 30 0.852 0.319 4.450 141 1HD1 LEU 30 HD11 LEU 30 2.715 -0.538 3.518 142 2HD1 LEU 30 HD12 LEU 30 1.622 -1.831 3.025 143 3HD1 LEU 30 HD13 LEU 30 2.632 -2.028 4.457 144 1HD2 LEU 30 HD21 LEU 30 -0.186 -2.470 4.288 145 2HD2 LEU 30 HD22 LEU 30 -0.842 -0.980 3.609 146 3HD2 LEU 30 HD23 LEU 30 -1.004 -1.309 5.334 147 H LEU 31 HN LEU 31 2.160 1.387 8.277 148 HA LEU 31 HA LEU 31 1.841 3.707 6.816 149 1HB LEU 31 HB2 LEU 31 2.280 2.997 9.613 150 2HB LEU 31 HB1 LEU 31 2.918 4.580 9.211 151 HG LEU 31 HG LEU 31 0.068 3.685 8.778 152 1HD1 LEU 31 HD11 LEU 31 -0.096 5.710 10.518 153 2HD1 LEU 31 HD12 LEU 31 1.466 5.045 10.996 154 3HD1 LEU 31 HD13 LEU 31 0.030 4.022 11.014 155 1HD2 LEU 31 HD21 LEU 31 1.385 5.563 7.346 156 2HD2 LEU 31 HD22 LEU 31 0.791 6.532 8.695 157 3HD2 LEU 31 HD23 LEU 31 -0.342 5.617 7.701 158 H SER 32 HN SER 32 4.754 2.864 8.703 159 HA SER 32 HA SER 32 6.420 4.892 7.929 160 1HB SER 32 HB2 SER 32 7.129 3.322 9.608 161 2HB SER 32 HB1 SER 32 7.098 1.989 8.453 162 HG SER 32 HG SER 32 8.776 4.255 8.173 163 H LEU 33 HN LEU 33 5.732 1.910 6.132 164 HA LEU 33 HA LEU 33 7.649 2.219 4.115 165 1HB LEU 33 HB2 LEU 33 4.987 1.199 3.304 166 2HB LEU 33 HB1 LEU 33 6.573 0.556 2.969 167 HG LEU 33 HG LEU 33 4.991 0.228 5.511 168 1HD1 LEU 33 HD11 LEU 33 4.594 -1.187 3.377 169 2HD1 LEU 33 HD12 LEU 33 4.761 -1.998 4.934 170 3HD1 LEU 33 HD13 LEU 33 6.121 -1.954 3.812 171 1HD2 LEU 33 HD21 LEU 33 6.958 -1.235 6.167 172 2HD2 LEU 33 HD22 LEU 33 7.205 0.508 6.259 173 3HD2 LEU 33 HD23 LEU 33 7.864 -0.405 4.902 174 H LEU 34 HN LEU 34 4.382 3.501 4.432 175 HA LEU 34 HA LEU 34 4.350 4.846 1.920 176 1HB LEU 34 HB2 LEU 34 2.756 5.534 4.391 177 2HB LEU 34 HB1 LEU 34 2.362 5.946 2.735 178 HG LEU 34 HG LEU 34 2.547 3.077 3.592 179 1HD1 LEU 34 HD11 LEU 34 0.548 3.066 4.602 180 2HD1 LEU 34 HD12 LEU 34 -0.132 4.260 3.496 181 3HD1 LEU 34 HD13 LEU 34 0.857 4.783 4.859 182 1HD2 LEU 34 HD21 LEU 34 1.860 4.534 1.203 183 2HD2 LEU 34 HD22 LEU 34 0.530 3.496 1.716 184 3HD2 LEU 34 HD23 LEU 34 2.127 2.806 1.427 185 H LYS 35 HN LYS 35 5.024 5.781 5.249 186 HA LYS 35 HA LYS 35 5.401 8.482 5.039 187 1HB LYS 35 HB2 LYS 35 6.823 6.395 6.678 188 2HB LYS 35 HB1 LYS 35 7.196 8.100 6.850 189 1HG LYS 35 HG2 LYS 35 4.614 6.693 7.444 190 2HG LYS 35 HG1 LYS 35 5.655 7.586 8.553 191 1HD LYS 35 HD2 LYS 35 5.140 9.648 7.200 192 2HD LYS 35 HD1 LYS 35 3.926 8.694 6.347 193 1HE LYS 35 HE2 LYS 35 3.120 10.106 8.304 194 2HE LYS 35 HE1 LYS 35 2.628 8.413 8.281 195 1HZ LYS 35 HZ1 LYS 35 4.056 7.887 9.996 196 2HZ LYS 35 HZ2 LYS 35 3.531 9.429 10.451 197 3HZ LYS 35 HZ3 LYS 35 5.053 9.230 9.741 198 H SER 36 HN SER 36 7.612 5.911 4.110 199 HA SER 36 HA SER 36 9.641 7.828 3.280 200 1HB SER 36 HB2 SER 36 9.686 5.138 4.170 201 2HB SER 36 HB1 SER 36 10.268 5.133 2.506 202 HG SER 36 HG SER 36 12.031 6.072 3.147 203 H ALA 37 HN ALA 37 7.066 5.972 1.938 204 HA ALA 37 HA ALA 37 8.047 5.933 -0.755 205 1HB ALA 37 HB1 ALA 37 5.812 5.112 -1.333 206 2HB ALA 37 HB2 ALA 37 5.266 5.448 0.309 207 3HB ALA 37 HB3 ALA 37 6.503 4.224 0.025 208 H GLY 38 HN GLY 38 6.690 8.357 1.178 209 1HA GLY 38 HA2 GLY 38 6.734 10.602 0.177 210 2HA GLY 38 HA1 GLY 38 5.976 9.896 -1.242 211 H ALA 39 HN ALA 39 5.135 9.272 2.125 212 HA ALA 39 HA ALA 39 2.456 10.334 1.561 213 1HB ALA 39 HB1 ALA 39 3.383 7.935 2.816 214 2HB ALA 39 HB2 ALA 39 1.747 8.390 2.362 215 3HB ALA 39 HB3 ALA 39 2.385 8.847 3.942 216 H GLN 40 HN GLN 40 1.422 11.744 3.120 217 HA GLN 40 HA GLN 40 3.249 12.821 5.161 218 1HB GLN 40 HB2 GLN 40 2.494 14.177 2.932 219 2HB GLN 40 HB1 GLN 40 1.238 14.672 4.059 220 1HG GLN 40 HG2 GLN 40 2.636 15.941 5.260 221 2HG GLN 40 HG1 GLN 40 3.955 14.777 5.145 222 1HE2 GLN 40 HE21 GLN 40 5.473 15.000 3.569 223 2HE2 GLN 40 HE22 GLN 40 5.543 16.347 2.490 224 H LYS 41 HN LYS 41 0.688 10.957 5.020 225 HA LYS 41 HA LYS 41 -0.483 12.137 7.433 226 1HB LYS 41 HB2 LYS 41 -2.760 11.400 6.630 227 2HB LYS 41 HB1 LYS 41 -2.074 12.786 5.798 228 1HG LYS 41 HG2 LYS 41 -1.820 10.006 4.712 229 2HG LYS 41 HG1 LYS 41 -3.229 11.016 4.388 230 1HD LYS 41 HD2 LYS 41 -1.299 12.761 3.766 231 2HD LYS 41 HD1 LYS 41 -0.447 11.258 3.406 232 1HE LYS 41 HE2 LYS 41 -2.807 10.754 2.218 233 2HE LYS 41 HE1 LYS 41 -2.753 12.508 2.053 234 1HZ LYS 41 HZ1 LYS 41 -0.372 12.053 1.197 235 2HZ LYS 41 HZ2 LYS 41 -1.685 11.799 0.161 236 3HZ LYS 41 HZ3 LYS 41 -0.942 10.484 0.922 237 H GLU 42 HN GLU 42 -2.206 10.402 8.296 238 HA GLU 42 HA GLU 42 -0.647 7.944 8.596 239 1HB GLU 42 HB2 GLU 42 -2.115 7.534 10.559 240 2HB GLU 42 HB1 GLU 42 -1.212 9.039 10.666 241 1HG GLU 42 HG2 GLU 42 -3.927 9.177 9.502 242 2HG GLU 42 HG1 GLU 42 -3.803 8.862 11.232 243 H THR 43 HN THR 43 -3.709 9.112 7.404 244 HA THR 43 HA THR 43 -4.481 6.339 6.765 245 HB THR 43 HB THR 43 -6.537 8.450 6.559 246 HG1 THR 43 HG1 THR 43 -5.499 7.633 9.066 247 1HG2 THR 43 HG21 THR 43 -6.414 5.650 7.591 248 2HG2 THR 43 HG22 THR 43 -7.391 6.316 6.283 249 3HG2 THR 43 HG23 THR 43 -7.778 6.704 7.960 250 H PHE 44 HN PHE 44 -4.969 5.793 4.691 251 HA PHE 44 HA PHE 44 -4.993 7.890 2.645 252 1HB PHE 44 HB2 PHE 44 -3.291 5.407 2.397 253 2HB PHE 44 HB1 PHE 44 -3.387 6.743 1.258 254 HD1 PHE 44 HD1 PHE 44 -2.389 5.912 4.736 255 HD2 PHE 44 HD2 PHE 44 -1.889 8.495 1.390 256 HE1 PHE 44 HE1 PHE 44 -0.474 6.982 5.853 257 HE2 PHE 44 HE2 PHE 44 0.024 9.569 2.506 258 HZ PHE 44 HZ PHE 44 0.729 8.815 4.738 259 H THR 45 HN THR 45 -6.068 7.327 0.730 260 HA THR 45 HA THR 45 -8.047 5.259 1.025 261 HB THR 45 HB THR 45 -8.871 6.037 -1.162 262 HG1 THR 45 HG1 THR 45 -7.202 6.662 -2.342 263 1HG2 THR 45 HG21 THR 45 -8.242 8.605 0.169 264 2HG2 THR 45 HG22 THR 45 -9.165 7.408 1.077 265 3HG2 THR 45 HG23 THR 45 -9.771 7.999 -0.470 266 H MET 46 HN MET 46 -8.276 3.427 -0.305 267 HA MET 46 HA MET 46 -6.234 1.774 -0.678 268 1HB MET 46 HB2 MET 46 -8.885 1.823 -1.514 269 2HB MET 46 HB1 MET 46 -7.969 1.518 -2.986 270 1HG MET 46 HG2 MET 46 -8.437 -0.598 -2.117 271 2HG MET 46 HG1 MET 46 -6.760 -0.274 -1.680 272 1HE MET 46 HE1 MET 46 -5.792 -0.192 0.355 273 2HE MET 46 HE2 MET 46 -6.399 -1.834 0.582 274 3HE MET 46 HE3 MET 46 -6.514 -0.662 1.896 275 H LYS 47 HN LYS 47 -7.229 4.112 -3.180 276 HA LYS 47 HA LYS 47 -5.406 3.366 -5.147 277 1HB LYS 47 HB2 LYS 47 -7.211 5.520 -4.696 278 2HB LYS 47 HB1 LYS 47 -5.668 6.215 -5.171 279 1HG LYS 47 HG2 LYS 47 -7.081 5.850 -7.103 280 2HG LYS 47 HG1 LYS 47 -5.652 4.817 -7.175 281 1HD LYS 47 HD2 LYS 47 -7.596 3.543 -7.829 282 2HD LYS 47 HD1 LYS 47 -7.005 2.951 -6.275 283 1HE LYS 47 HE2 LYS 47 -8.720 4.233 -5.117 284 2HE LYS 47 HE1 LYS 47 -9.292 4.881 -6.654 285 1HZ LYS 47 HZ1 LYS 47 -10.391 2.783 -5.519 286 2HZ LYS 47 HZ2 LYS 47 -9.183 1.976 -6.385 287 3HZ LYS 47 HZ3 LYS 47 -10.303 2.945 -7.201 288 H GLU 48 HN GLU 48 -5.005 6.129 -2.902 289 HA GLU 48 HA GLU 48 -2.342 6.653 -3.485 290 1HB GLU 48 HB2 GLU 48 -3.892 7.050 -0.934 291 2HB GLU 48 HB1 GLU 48 -2.243 7.612 -1.137 292 1HG GLU 48 HG2 GLU 48 -3.509 9.485 -1.615 293 2HG GLU 48 HG1 GLU 48 -3.122 8.837 -3.208 294 H VAL 49 HN VAL 49 -3.683 4.516 -0.983 295 HA VAL 49 HA VAL 49 -1.310 3.687 0.205 296 HB VAL 49 HB VAL 49 -3.649 1.847 -0.298 297 1HG1 VAL 49 HG11 VAL 49 -1.672 2.010 1.973 298 2HG1 VAL 49 HG12 VAL 49 -1.650 0.823 0.669 299 3HG1 VAL 49 HG13 VAL 49 -2.986 0.844 1.820 300 1HG2 VAL 49 HG21 VAL 49 -4.982 3.019 1.047 301 2HG2 VAL 49 HG22 VAL 49 -3.831 4.345 0.899 302 3HG2 VAL 49 HG23 VAL 49 -3.710 3.221 2.251 303 H LEU 50 HN LEU 50 -3.132 1.966 -2.316 304 HA LEU 50 HA LEU 50 -1.153 0.076 -2.909 305 1HB LEU 50 HB2 LEU 50 -3.744 0.725 -3.799 306 2HB LEU 50 HB1 LEU 50 -2.736 0.718 -5.230 307 HG LEU 50 HG LEU 50 -2.844 -1.572 -3.271 308 1HD1 LEU 50 HD11 LEU 50 -4.528 -2.575 -4.454 309 2HD1 LEU 50 HD12 LEU 50 -4.195 -1.656 -5.922 310 3HD1 LEU 50 HD13 LEU 50 -5.018 -0.885 -4.566 311 1HD2 LEU 50 HD21 LEU 50 -0.839 -1.514 -4.633 312 2HD2 LEU 50 HD22 LEU 50 -1.810 -1.346 -6.095 313 3HD2 LEU 50 HD23 LEU 50 -1.888 -2.833 -5.150 314 H TYR 51 HN TYR 51 -1.384 3.406 -3.727 315 HA TYR 51 HA TYR 51 0.233 3.281 -6.091 316 1HB TYR 51 HB2 TYR 51 -1.389 5.083 -5.792 317 2HB TYR 51 HB1 TYR 51 -0.530 5.644 -4.362 318 HD1 TYR 51 HD1 TYR 51 -0.299 5.272 -8.034 319 HD2 TYR 51 HD2 TYR 51 1.369 7.057 -4.551 320 HE1 TYR 51 HE1 TYR 51 1.091 6.723 -9.451 321 HE2 TYR 51 HE2 TYR 51 2.763 8.514 -5.958 322 HH TYR 51 HH TYR 51 2.667 9.435 -8.317 323 H HIS 52 HN HIS 52 0.854 4.637 -2.821 324 HA HIS 52 HA HIS 52 3.549 5.183 -3.220 325 1HB HIS 52 HB2 HIS 52 2.590 4.202 -0.551 326 2HB HIS 52 HB1 HIS 52 3.769 5.448 -0.913 327 HD1 HIS 52 HD1 HIS 52 2.526 7.585 -2.305 328 HD2 HIS 52 HD2 HIS 52 0.284 5.291 0.335 329 HE1 HIS 52 HE1 HIS 52 0.558 9.016 -1.673 330 HE2 HIS 52 HE2 HIS 52 -0.693 7.665 0.044 331 H LEU 53 HN LEU 53 2.023 2.192 -2.046 332 HA LEU 53 HA LEU 53 4.163 0.685 -1.357 333 1HB LEU 53 HB2 LEU 53 1.467 0.246 -2.100 334 2HB LEU 53 HB1 LEU 53 2.441 -0.931 -2.963 335 HG LEU 53 HG LEU 53 3.327 -1.798 -0.940 336 1HD1 LEU 53 HD11 LEU 53 2.172 -0.721 1.226 337 2HD1 LEU 53 HD12 LEU 53 2.325 0.711 0.206 338 3HD1 LEU 53 HD13 LEU 53 3.756 -0.239 0.614 339 1HD2 LEU 53 HD21 LEU 53 0.591 -1.570 0.052 340 2HD2 LEU 53 HD22 LEU 53 1.509 -3.000 -0.421 341 3HD2 LEU 53 HD23 LEU 53 0.704 -2.023 -1.648 342 H GLY 54 HN GLY 54 2.911 1.114 -4.669 343 1HA GLY 54 HA2 GLY 54 4.746 -0.522 -5.993 344 2HA GLY 54 HA1 GLY 54 3.962 0.884 -6.705 345 H GLN 55 HN GLN 55 4.995 2.850 -4.990 346 HA GLN 55 HA GLN 55 7.603 3.201 -6.156 347 1HB GLN 55 HB2 GLN 55 6.018 4.897 -4.220 348 2HB GLN 55 HB1 GLN 55 7.564 5.370 -4.910 349 1HG GLN 55 HG2 GLN 55 6.358 4.932 -7.181 350 2HG GLN 55 HG1 GLN 55 4.897 5.137 -6.215 351 1HE2 GLN 55 HE21 GLN 55 7.223 6.692 -8.011 352 2HE2 GLN 55 HE22 GLN 55 6.939 8.311 -7.481 353 H TYR 56 HN TYR 56 6.292 2.215 -3.093 354 HA TYR 56 HA TYR 56 8.565 2.647 -1.477 355 1HB TYR 56 HB2 TYR 56 6.488 2.283 -0.371 356 2HB TYR 56 HB1 TYR 56 6.204 0.782 -1.242 357 HD1 TYR 56 HD1 TYR 56 8.386 2.343 1.324 358 HD2 TYR 56 HD2 TYR 56 6.893 -1.270 -0.344 359 HE1 TYR 56 HE1 TYR 56 9.429 1.080 3.156 360 HE2 TYR 56 HE2 TYR 56 7.921 -2.548 1.489 361 HH TYR 56 HH TYR 56 8.660 -2.101 3.859 362 H ILE 57 HN ILE 57 7.393 -0.255 -3.171 363 HA ILE 57 HA ILE 57 9.468 -1.974 -2.429 364 HB ILE 57 HB ILE 57 7.896 -2.018 -5.009 365 1HG1 ILE 57 HG12 ILE 57 7.345 -3.320 -2.333 366 2HG1 ILE 57 HG11 ILE 57 6.427 -2.002 -3.053 367 1HG2 ILE 57 HG21 ILE 57 9.865 -3.435 -5.109 368 2HG2 ILE 57 HG22 ILE 57 8.406 -4.421 -5.013 369 3HG2 ILE 57 HG23 ILE 57 9.416 -4.198 -3.584 370 1HD1 ILE 57 HD11 ILE 57 5.491 -4.379 -3.205 371 2HD1 ILE 57 HD12 ILE 57 6.709 -4.626 -4.457 372 3HD1 ILE 57 HD13 ILE 57 5.477 -3.380 -4.659 373 H MET 58 HN MET 58 9.103 -0.112 -5.459 374 HA MET 58 HA MET 58 11.560 -0.800 -6.579 375 1HB MET 58 HB2 MET 58 11.280 1.082 -8.046 376 2HB MET 58 HB1 MET 58 9.700 0.363 -7.765 377 1HG MET 58 HG2 MET 58 9.203 2.109 -6.127 378 2HG MET 58 HG1 MET 58 10.780 2.834 -6.429 379 1HE MET 58 HE1 MET 58 9.597 5.363 -7.259 380 2HE MET 58 HE2 MET 58 10.101 5.330 -8.948 381 3HE MET 58 HE3 MET 58 11.129 4.612 -7.708 382 H ALA 59 HN ALA 59 10.767 1.520 -4.104 383 HA ALA 59 HA ALA 59 13.249 2.939 -4.203 384 1HB ALA 59 HB1 ALA 59 11.291 4.024 -3.299 385 2HB ALA 59 HB2 ALA 59 12.517 3.889 -2.039 386 3HB ALA 59 HB3 ALA 59 11.141 2.786 -2.051 387 H LYS 60 HN LYS 60 11.891 0.665 -1.806 388 HA LYS 60 HA LYS 60 14.316 0.328 -0.398 389 1HB LYS 60 HB2 LYS 60 11.717 -1.159 -0.500 390 2HB LYS 60 HB1 LYS 60 13.084 -1.857 0.358 391 1HG LYS 60 HG2 LYS 60 11.542 -0.593 1.812 392 2HG LYS 60 HG1 LYS 60 13.195 0.024 1.838 393 1HD LYS 60 HD2 LYS 60 12.526 1.765 0.211 394 2HD LYS 60 HD1 LYS 60 10.866 1.175 0.302 395 1HE LYS 60 HE2 LYS 60 10.694 2.789 1.876 396 2HE LYS 60 HE1 LYS 60 11.353 1.524 2.913 397 1HZ LYS 60 HZ1 LYS 60 12.755 3.242 3.385 398 2HZ LYS 60 HZ2 LYS 60 12.662 3.916 1.837 399 3HZ LYS 60 HZ3 LYS 60 13.606 2.539 2.103 400 H GLN 61 HN GLN 61 13.090 -1.047 -3.312 401 HA GLN 61 HA GLN 61 14.051 -2.397 -4.867 402 1HB GLN 61 HB2 GLN 61 16.170 -1.209 -4.111 403 2HB GLN 61 HB1 GLN 61 16.476 -2.605 -3.088 404 1HG GLN 61 HG2 GLN 61 17.369 -3.698 -4.785 405 2HG GLN 61 HG1 GLN 61 15.890 -3.508 -5.726 406 1HE2 GLN 61 HE21 GLN 61 15.851 -0.761 -6.027 407 2HE2 GLN 61 HE22 GLN 61 17.180 -0.280 -7.020 408 H LEU 62 HN LEU 62 12.265 -3.703 -3.674 409 HA LEU 62 HA LEU 62 13.397 -6.093 -2.406 410 1HB LEU 62 HB2 LEU 62 10.461 -5.643 -2.702 411 2HB LEU 62 HB1 LEU 62 11.331 -6.503 -1.448 412 HG LEU 62 HG LEU 62 11.006 -3.526 -1.758 413 1HD1 LEU 62 HD11 LEU 62 10.173 -5.570 0.277 414 2HD1 LEU 62 HD12 LEU 62 9.163 -4.449 -0.638 415 3HD1 LEU 62 HD13 LEU 62 10.218 -3.844 0.640 416 1HD2 LEU 62 HD21 LEU 62 13.091 -3.348 -0.952 417 2HD2 LEU 62 HD22 LEU 62 13.155 -5.043 -0.471 418 3HD2 LEU 62 HD23 LEU 62 12.371 -3.860 0.575 419 H TYR 63 HN TYR 63 12.478 -5.029 -5.431 420 HA TYR 63 HA TYR 63 11.259 -7.455 -6.381 421 1HB TYR 63 HB2 TYR 63 11.377 -6.382 -8.591 422 2HB TYR 63 HB1 TYR 63 10.674 -5.306 -7.388 423 HD1 TYR 63 HD1 TYR 63 13.861 -6.068 -9.149 424 HD2 TYR 63 HD2 TYR 63 11.563 -3.171 -7.045 425 HE1 TYR 63 HE1 TYR 63 15.519 -4.345 -9.723 426 HE2 TYR 63 HE2 TYR 63 13.216 -1.440 -7.611 427 HH TYR 63 HH TYR 63 15.005 -1.196 -9.636 428 H ASP 64 HN ASP 64 12.167 -9.028 -7.673 429 HA ASP 64 HA ASP 64 14.962 -9.504 -7.293 430 1HB ASP 64 HB2 ASP 64 13.310 -11.334 -7.304 431 2HB ASP 64 HB1 ASP 64 12.955 -11.001 -8.995 432 H GLU 65 HN GLU 65 16.606 -9.550 -8.816 433 HA GLU 65 HA GLU 65 16.513 -7.609 -10.852 434 1HB GLU 65 HB2 GLU 65 18.459 -9.709 -10.013 435 2HB GLU 65 HB1 GLU 65 18.672 -8.971 -11.595 436 1HG GLU 65 HG2 GLU 65 18.590 -7.539 -8.950 437 2HG GLU 65 HG1 GLU 65 20.015 -7.834 -9.945 438 H LYS 66 HN LYS 66 16.726 -11.167 -11.126 439 HA LYS 66 HA LYS 66 16.466 -11.347 -13.885 440 1HB LYS 66 HB2 LYS 66 15.353 -13.287 -11.848 441 2HB LYS 66 HB1 LYS 66 15.729 -13.644 -13.528 442 1HG LYS 66 HG2 LYS 66 17.654 -14.413 -12.688 443 2HG LYS 66 HG1 LYS 66 18.117 -12.710 -12.665 444 1HD LYS 66 HD2 LYS 66 16.762 -12.981 -10.299 445 2HD LYS 66 HD1 LYS 66 17.572 -14.542 -10.450 446 1HE LYS 66 HE2 LYS 66 19.710 -13.498 -10.625 447 2HE LYS 66 HE1 LYS 66 18.981 -11.899 -10.769 448 1HZ LYS 66 HZ1 LYS 66 17.985 -12.687 -8.434 449 2HZ LYS 66 HZ2 LYS 66 19.435 -11.828 -8.582 450 3HZ LYS 66 HZ3 LYS 66 19.464 -13.510 -8.403 451 H GLN 67 HN GLN 67 13.838 -11.950 -11.547 452 HA GLN 67 HA GLN 67 11.896 -11.208 -13.600 453 1HB GLN 67 HB2 GLN 67 11.349 -12.355 -10.861 454 2HB GLN 67 HB1 GLN 67 10.258 -12.292 -12.235 455 1HG GLN 67 HG2 GLN 67 11.272 -14.043 -13.303 456 2HG GLN 67 HG1 GLN 67 12.816 -13.785 -12.498 457 1HE2 GLN 67 HE21 GLN 67 12.987 -14.396 -10.262 458 2HE2 GLN 67 HE22 GLN 67 12.008 -15.679 -9.644 459 H GLN 68 HN GLN 68 11.023 -9.235 -13.587 460 HA GLN 68 HA GLN 68 11.532 -7.459 -11.364 461 1HB GLN 68 HB2 GLN 68 10.575 -7.167 -14.157 462 2HB GLN 68 HB1 GLN 68 10.042 -5.949 -13.005 463 1HG GLN 68 HG2 GLN 68 11.953 -4.968 -13.733 464 2HG GLN 68 HG1 GLN 68 12.607 -5.908 -12.391 465 1HE2 GLN 68 HE21 GLN 68 14.549 -6.555 -12.983 466 2HE2 GLN 68 HE22 GLN 68 14.950 -7.325 -14.477 467 H HIS 69 HN HIS 69 8.985 -9.494 -12.404 468 HA HIS 69 HA HIS 69 6.959 -8.016 -10.924 469 1HB HIS 69 HB2 HIS 69 5.367 -9.570 -11.835 470 2HB HIS 69 HB1 HIS 69 6.438 -9.063 -13.136 471 HD1 HIS 69 HD1 HIS 69 8.381 -10.848 -13.750 472 HD2 HIS 69 HD2 HIS 69 5.188 -12.268 -11.502 473 HE1 HIS 69 HE1 HIS 69 8.469 -13.352 -13.964 474 HE2 HIS 69 HE2 HIS 69 6.476 -14.184 -12.667 475 H ILE 70 HN ILE 70 9.375 -9.682 -9.840 476 HA ILE 70 HA ILE 70 7.800 -11.215 -7.876 477 HB ILE 70 HB ILE 70 10.659 -11.751 -8.679 478 1HG1 ILE 70 HG12 ILE 70 9.223 -12.279 -10.551 479 2HG1 ILE 70 HG11 ILE 70 9.733 -13.778 -9.784 480 1HG2 ILE 70 HG21 ILE 70 9.263 -13.937 -7.437 481 2HG2 ILE 70 HG22 ILE 70 9.210 -12.506 -6.408 482 3HG2 ILE 70 HG23 ILE 70 10.762 -13.143 -6.954 483 1HD1 ILE 70 HD11 ILE 70 7.390 -13.845 -10.421 484 2HD1 ILE 70 HD12 ILE 70 7.069 -12.436 -9.409 485 3HD1 ILE 70 HD13 ILE 70 7.581 -13.954 -8.671 486 H VAL 71 HN VAL 71 8.152 -10.851 -5.752 487 HA VAL 71 HA VAL 71 10.283 -8.952 -5.024 488 HB VAL 71 HB VAL 71 7.531 -8.999 -3.784 489 1HG1 VAL 71 HG11 VAL 71 10.035 -7.784 -3.041 490 2HG1 VAL 71 HG12 VAL 71 8.508 -7.834 -2.162 491 3HG1 VAL 71 HG13 VAL 71 8.807 -6.552 -3.335 492 1HG2 VAL 71 HG21 VAL 71 8.631 -7.477 -6.091 493 2HG2 VAL 71 HG22 VAL 71 7.558 -6.633 -4.974 494 3HG2 VAL 71 HG23 VAL 71 6.998 -8.083 -5.807 495 H HIS 72 HN HIS 72 11.711 -10.192 -3.953 496 HA HIS 72 HA HIS 72 10.672 -11.807 -1.723 497 1HB HIS 72 HB2 HIS 72 12.621 -13.366 -2.136 498 2HB HIS 72 HB1 HIS 72 11.341 -13.411 -3.342 499 HD1 HIS 72 HD1 HIS 72 13.337 -14.495 -4.812 500 HD2 HIS 72 HD2 HIS 72 13.662 -10.444 -3.944 501 HE1 HIS 72 HE1 HIS 72 15.020 -13.589 -6.445 502 HE2 HIS 72 HE2 HIS 72 15.138 -11.121 -5.955 503 H CYS 73 HN CYS 73 11.128 -10.456 -0.077 504 HA CYS 73 HA CYS 73 13.967 -9.838 0.371 505 1HB CYS 73 HB2 CYS 73 12.158 -7.901 -0.253 506 2HB CYS 73 HB1 CYS 73 12.022 -7.925 1.503 507 HG CYS 73 HG CYS 73 13.873 -6.248 1.012 508 H SER 74 HN SER 74 14.431 -11.297 1.939 509 HA SER 74 HA SER 74 12.596 -12.149 3.902 510 1HB SER 74 HB2 SER 74 14.428 -13.602 3.401 511 2HB SER 74 HB1 SER 74 15.606 -12.337 3.750 512 HG SER 74 HG SER 74 13.816 -13.332 5.702 513 H ASN 75 HN ASN 75 15.261 -9.784 4.105 514 HA ASN 75 HA ASN 75 14.123 -9.015 6.703 515 1HB ASN 75 HB2 ASN 75 16.759 -8.200 5.452 516 2HB ASN 75 HB1 ASN 75 16.212 -7.785 7.073 517 1HD2 ASN 75 HD21 ASN 75 17.362 -10.329 4.997 518 2HD2 ASN 75 HD22 ASN 75 17.765 -11.445 6.253 519 H ASP 76 HN ASP 76 12.373 -7.884 6.017 520 HA ASP 76 HA ASP 76 12.879 -5.161 5.267 521 1HB ASP 76 HB2 ASP 76 12.497 -6.911 3.145 522 2HB ASP 76 HB1 ASP 76 10.913 -6.175 3.370 523 HA PRO 77 HA PRO 77 9.351 -4.549 7.854 524 1HB PRO 77 HB2 PRO 77 8.616 -2.317 6.059 525 2HB PRO 77 HB1 PRO 77 8.947 -2.311 7.789 526 1HG PRO 77 HG2 PRO 77 10.667 -1.309 5.965 527 2HG PRO 77 HG1 PRO 77 11.181 -2.005 7.510 528 1HD PRO 77 HD2 PRO 77 11.398 -3.109 4.777 529 2HD PRO 77 HD1 PRO 77 12.381 -3.421 6.216 530 H LEU 78 HN LEU 78 9.049 -4.568 4.352 531 HA LEU 78 HA LEU 78 6.235 -4.853 4.230 532 1HB LEU 78 HB2 LEU 78 7.985 -4.267 2.379 533 2HB LEU 78 HB1 LEU 78 8.065 -6.002 2.158 534 HG LEU 78 HG LEU 78 5.661 -6.061 1.671 535 1HD1 LEU 78 HD11 LEU 78 4.584 -3.793 1.208 536 2HD1 LEU 78 HD12 LEU 78 5.869 -3.118 2.210 537 3HD1 LEU 78 HD13 LEU 78 4.743 -4.291 2.893 538 1HD2 LEU 78 HD21 LEU 78 5.766 -5.093 -0.510 539 2HD2 LEU 78 HD22 LEU 78 7.369 -5.714 -0.118 540 3HD2 LEU 78 HD23 LEU 78 7.045 -3.984 -0.016 541 H GLY 79 HN GLY 79 8.757 -7.306 3.582 542 1HA GLY 79 HA2 GLY 79 7.068 -9.525 3.606 543 2HA GLY 79 HA1 GLY 79 8.788 -9.572 3.973 544 H GLU 80 HN GLU 80 8.517 -7.753 6.240 545 HA GLU 80 HA GLU 80 7.958 -9.694 8.259 546 1HB GLU 80 HB2 GLU 80 9.690 -8.219 8.811 547 2HB GLU 80 HB1 GLU 80 8.804 -6.812 8.245 548 1HG GLU 80 HG2 GLU 80 9.098 -6.987 10.723 549 2HG GLU 80 HG1 GLU 80 7.439 -6.777 10.168 550 H LEU 81 HN LEU 81 6.224 -7.077 6.763 551 HA LEU 81 HA LEU 81 4.166 -6.883 8.748 552 1HB LEU 81 HB2 LEU 81 4.674 -4.991 7.322 553 2HB LEU 81 HB1 LEU 81 4.311 -5.929 5.888 554 HG LEU 81 HG LEU 81 1.945 -6.082 6.633 555 1HD1 LEU 81 HD11 LEU 81 2.856 -5.422 9.087 556 2HD1 LEU 81 HD12 LEU 81 1.179 -5.245 8.572 557 3HD1 LEU 81 HD13 LEU 81 2.266 -3.858 8.526 558 1HD2 LEU 81 HD21 LEU 81 3.053 -3.290 6.346 559 2HD2 LEU 81 HD22 LEU 81 1.373 -3.763 6.092 560 3HD2 LEU 81 HD23 LEU 81 2.634 -4.386 5.028 561 H PHE 82 HN PHE 82 4.103 -8.008 5.370 562 HA PHE 82 HA PHE 82 1.588 -9.264 5.566 563 1HB PHE 82 HB2 PHE 82 3.839 -9.820 3.622 564 2HB PHE 82 HB1 PHE 82 2.160 -10.310 3.419 565 HD1 PHE 82 HD1 PHE 82 0.689 -7.930 4.209 566 HD2 PHE 82 HD2 PHE 82 4.279 -8.289 1.953 567 HE1 PHE 82 HE1 PHE 82 0.196 -5.794 3.094 568 HE2 PHE 82 HE2 PHE 82 3.794 -6.152 0.834 569 HZ PHE 82 HZ PHE 82 1.750 -4.902 1.404 570 H GLY 83 HN GLY 83 4.801 -10.316 6.370 571 1HA GLY 83 HA2 GLY 83 5.347 -12.129 7.737 572 2HA GLY 83 HA1 GLY 83 3.711 -12.738 7.544 573 H VAL 84 HN VAL 84 5.721 -11.832 4.830 574 HA VAL 84 HA VAL 84 6.234 -14.663 4.246 575 HB VAL 84 HB VAL 84 5.622 -14.345 1.895 576 1HG1 VAL 84 HG11 VAL 84 3.160 -14.173 2.212 577 2HG1 VAL 84 HG12 VAL 84 3.454 -13.681 3.880 578 3HG1 VAL 84 HG13 VAL 84 3.949 -15.283 3.333 579 1HG2 VAL 84 HG21 VAL 84 4.999 -11.569 2.827 580 2HG2 VAL 84 HG22 VAL 84 4.154 -12.261 1.442 581 3HG2 VAL 84 HG23 VAL 84 5.910 -12.094 1.410 582 H GLN 85 HN GLN 85 8.064 -15.077 2.987 583 HA GLN 85 HA GLN 85 10.060 -12.980 3.071 584 1HB GLN 85 HB2 GLN 85 10.682 -15.192 3.855 585 2HB GLN 85 HB1 GLN 85 10.230 -15.900 2.311 586 1HG GLN 85 HG2 GLN 85 12.002 -14.402 1.284 587 2HG GLN 85 HG1 GLN 85 12.555 -14.117 2.933 588 1HE2 GLN 85 HE21 GLN 85 13.947 -15.395 0.731 589 2HE2 GLN 85 HE22 GLN 85 14.342 -16.991 1.264 590 H GLU 86 HN GLU 86 8.109 -14.664 0.730 591 HA GLU 86 HA GLU 86 9.022 -12.834 -1.336 592 1HB GLU 86 HB2 GLU 86 9.301 -14.722 -2.967 593 2HB GLU 86 HB1 GLU 86 10.540 -14.639 -1.722 594 1HG GLU 86 HG2 GLU 86 9.173 -16.361 -0.457 595 2HG GLU 86 HG1 GLU 86 8.257 -16.571 -1.949 596 H PHE 87 HN PHE 87 7.530 -12.528 -3.006 597 HA PHE 87 HA PHE 87 5.152 -14.119 -3.196 598 1HB PHE 87 HB2 PHE 87 3.561 -12.370 -2.567 599 2HB PHE 87 HB1 PHE 87 4.608 -12.772 -1.210 600 HD1 PHE 87 HD1 PHE 87 3.547 -10.200 -3.517 601 HD2 PHE 87 HD2 PHE 87 6.419 -11.224 -0.548 602 HE1 PHE 87 HE1 PHE 87 4.150 -7.825 -3.287 603 HE2 PHE 87 HE2 PHE 87 7.027 -8.852 -0.312 604 HZ PHE 87 HZ PHE 87 5.892 -7.149 -1.683 605 H SER 88 HN SER 88 4.419 -14.038 -5.223 606 HA SER 88 HA SER 88 5.628 -12.183 -7.079 607 1HB SER 88 HB2 SER 88 3.914 -13.537 -8.634 608 2HB SER 88 HB1 SER 88 5.472 -14.204 -8.146 609 HG SER 88 HG SER 88 4.496 -15.582 -6.855 610 H VAL 89 HN VAL 89 4.753 -10.347 -7.795 611 HA VAL 89 HA VAL 89 2.284 -9.410 -6.741 612 HB VAL 89 HB VAL 89 2.643 -7.496 -8.397 613 1HG1 VAL 89 HG11 VAL 89 4.583 -8.222 -6.224 614 2HG1 VAL 89 HG12 VAL 89 3.204 -7.125 -6.153 615 3HG1 VAL 89 HG13 VAL 89 4.647 -6.669 -7.057 616 1HG2 VAL 89 HG21 VAL 89 5.455 -8.422 -8.639 617 2HG2 VAL 89 HG22 VAL 89 4.513 -7.372 -9.697 618 3HG2 VAL 89 HG23 VAL 89 4.256 -9.118 -9.731 619 H LYS 90 HN LYS 90 2.936 -11.447 -9.331 620 HA LYS 90 HA LYS 90 1.215 -10.662 -11.346 621 1HB LYS 90 HB2 LYS 90 2.827 -12.704 -11.165 622 2HB LYS 90 HB1 LYS 90 1.413 -13.547 -10.547 623 1HG LYS 90 HG2 LYS 90 0.905 -13.995 -12.659 624 2HG LYS 90 HG1 LYS 90 0.481 -12.290 -12.825 625 1HD LYS 90 HD2 LYS 90 2.320 -11.823 -14.041 626 2HD LYS 90 HD1 LYS 90 3.349 -12.885 -13.078 627 1HE LYS 90 HE2 LYS 90 1.377 -13.804 -15.167 628 2HE LYS 90 HE1 LYS 90 3.114 -13.635 -15.420 629 1HZ LYS 90 HZ1 LYS 90 3.323 -15.223 -13.456 630 2HZ LYS 90 HZ2 LYS 90 2.811 -15.874 -14.931 631 3HZ LYS 90 HZ3 LYS 90 1.686 -15.571 -13.705 632 H GLU 91 HN GLU 91 0.492 -12.210 -8.282 633 HA GLU 91 HA GLU 91 -2.327 -12.476 -8.984 634 1HB GLU 91 HB2 GLU 91 -0.665 -13.391 -6.650 635 2HB GLU 91 HB1 GLU 91 -2.421 -13.421 -6.584 636 1HG GLU 91 HG2 GLU 91 -1.284 -14.652 -8.982 637 2HG GLU 91 HG1 GLU 91 -0.851 -15.451 -7.471 638 H HIS 92 HN HIS 92 -2.809 -10.236 -9.134 639 HA HIS 92 HA HIS 92 -2.334 -8.344 -7.130 640 1HB HIS 92 HB2 HIS 92 -4.414 -8.534 -9.299 641 2HB HIS 92 HB1 HIS 92 -4.363 -7.171 -8.186 642 HD1 HIS 92 HD1 HIS 92 -3.959 -6.507 -11.063 643 HD2 HIS 92 HD2 HIS 92 -0.809 -7.593 -8.579 644 HE1 HIS 92 HE1 HIS 92 -1.893 -5.568 -12.147 645 HE2 HIS 92 HE2 HIS 92 0.008 -6.303 -10.667 646 H ARG 93 HN ARG 93 -5.094 -10.504 -7.652 647 HA ARG 93 HA ARG 93 -6.816 -9.544 -5.709 648 1HB ARG 93 HB2 ARG 93 -7.711 -11.885 -5.622 649 2HB ARG 93 HB1 ARG 93 -7.578 -11.212 -7.241 650 1HG ARG 93 HG2 ARG 93 -5.179 -12.442 -7.007 651 2HG ARG 93 HG1 ARG 93 -6.197 -13.495 -6.022 652 1HD ARG 93 HD2 ARG 93 -6.218 -14.321 -8.268 653 2HD ARG 93 HD1 ARG 93 -7.798 -13.618 -7.924 654 HE ARG 93 HE ARG 93 -6.339 -11.600 -9.080 655 1HH1 ARG 93 HH11 ARG 93 -7.328 -14.818 -10.001 656 2HH1 ARG 93 HH12 ARG 93 -7.382 -14.452 -11.693 657 1HH2 ARG 93 HH21 ARG 93 -6.411 -11.117 -11.304 658 2HH2 ARG 93 HH22 ARG 93 -6.862 -12.351 -12.433 659 H ARG 94 HN ARG 94 -3.941 -11.493 -5.355 660 HA ARG 94 HA ARG 94 -4.428 -12.340 -2.685 661 1HB ARG 94 HB2 ARG 94 -2.158 -12.394 -4.578 662 2HB ARG 94 HB1 ARG 94 -1.729 -12.428 -2.873 663 1HG ARG 94 HG2 ARG 94 -3.755 -14.283 -3.046 664 2HG ARG 94 HG1 ARG 94 -2.867 -14.505 -4.555 665 1HD ARG 94 HD2 ARG 94 -1.764 -15.930 -3.095 666 2HD ARG 94 HD1 ARG 94 -0.767 -14.477 -3.051 667 HE ARG 94 HE ARG 94 -2.794 -14.558 -1.013 668 1HH1 ARG 94 HH11 ARG 94 0.459 -15.500 -1.855 669 2HH1 ARG 94 HH12 ARG 94 0.985 -15.616 -0.209 670 1HH2 ARG 94 HH21 ARG 94 -2.104 -14.710 1.152 671 2HH2 ARG 94 HH22 ARG 94 -0.470 -15.168 1.498 672 H ILE 95 HN ILE 95 -2.314 -9.801 -4.024 673 HA ILE 95 HA ILE 95 -1.381 -8.750 -1.633 674 HB ILE 95 HB ILE 95 -1.975 -7.202 -4.155 675 1HG1 ILE 95 HG12 ILE 95 0.477 -8.744 -3.281 676 2HG1 ILE 95 HG11 ILE 95 -0.573 -9.124 -4.641 677 1HG2 ILE 95 HG21 ILE 95 0.290 -6.169 -2.918 678 2HG2 ILE 95 HG22 ILE 95 -0.844 -6.452 -1.599 679 3HG2 ILE 95 HG23 ILE 95 -1.314 -5.439 -2.964 680 1HD1 ILE 95 HD11 ILE 95 0.330 -6.479 -4.995 681 2HD1 ILE 95 HD12 ILE 95 0.722 -7.911 -5.947 682 3HD1 ILE 95 HD13 ILE 95 1.726 -7.467 -4.567 683 H TYR 96 HN TYR 96 -4.225 -7.714 -3.517 684 HA TYR 96 HA TYR 96 -5.106 -5.627 -1.952 685 1HB TYR 96 HB2 TYR 96 -6.437 -7.594 -3.741 686 2HB TYR 96 HB1 TYR 96 -7.477 -6.660 -2.671 687 HD1 TYR 96 HD1 TYR 96 -7.840 -4.315 -3.033 688 HD2 TYR 96 HD2 TYR 96 -5.095 -6.463 -5.473 689 HE1 TYR 96 HE1 TYR 96 -7.779 -2.432 -4.613 690 HE2 TYR 96 HE2 TYR 96 -5.029 -4.589 -7.061 691 HH TYR 96 HH TYR 96 -7.134 -2.380 -7.390 692 H ALA 97 HN ALA 97 -5.700 -9.091 -1.500 693 HA ALA 97 HA ALA 97 -7.369 -8.748 0.792 694 1HB ALA 97 HB1 ALA 97 -7.510 -10.727 -0.652 695 2HB ALA 97 HB2 ALA 97 -7.212 -11.160 1.031 696 3HB ALA 97 HB3 ALA 97 -5.893 -11.208 -0.138 697 H MET 98 HN MET 98 -3.935 -9.276 0.275 698 HA MET 98 HA MET 98 -3.191 -9.969 2.882 699 1HB MET 98 HB2 MET 98 -1.661 -8.478 0.742 700 2HB MET 98 HB1 MET 98 -0.940 -9.053 2.238 701 1HG MET 98 HG2 MET 98 -2.121 -11.316 1.317 702 2HG MET 98 HG1 MET 98 -1.674 -10.515 -0.188 703 1HE MET 98 HE1 MET 98 0.785 -10.688 -1.193 704 2HE MET 98 HE2 MET 98 2.125 -10.310 -0.111 705 3HE MET 98 HE3 MET 98 0.745 -9.217 -0.221 706 H ILE 99 HN ILE 99 -2.578 -6.786 1.414 707 HA ILE 99 HA ILE 99 -2.048 -5.374 3.706 708 HB ILE 99 HB ILE 99 -2.913 -3.345 2.464 709 1HG1 ILE 99 HG12 ILE 99 -3.147 -4.050 -0.100 710 2HG1 ILE 99 HG11 ILE 99 -3.778 -5.525 0.623 711 1HG2 ILE 99 HG21 ILE 99 -0.606 -3.876 2.335 712 2HG2 ILE 99 HG22 ILE 99 -1.141 -3.532 0.690 713 3HG2 ILE 99 HG23 ILE 99 -0.905 -5.201 1.210 714 1HD1 ILE 99 HD11 ILE 99 -5.249 -3.335 0.026 715 2HD1 ILE 99 HD12 ILE 99 -4.897 -3.061 1.732 716 3HD1 ILE 99 HD13 ILE 99 -5.694 -4.550 1.223 717 H SER 100 HN SER 100 -5.202 -6.198 2.368 718 HA SER 100 HA SER 100 -6.824 -4.499 3.845 719 1HB SER 100 HB2 SER 100 -8.614 -5.846 3.217 720 2HB SER 100 HB1 SER 100 -7.415 -6.245 1.988 721 HG SER 100 HG SER 100 -8.250 -8.149 2.789 722 H ARG 101 HN ARG 101 -5.720 -7.772 4.699 723 HA ARG 101 HA ARG 101 -6.975 -7.942 7.188 724 1HB ARG 101 HB2 ARG 101 -4.324 -9.170 6.412 725 2HB ARG 101 HB1 ARG 101 -5.393 -9.714 7.698 726 1HG ARG 101 HG2 ARG 101 -6.892 -10.659 6.243 727 2HG ARG 101 HG1 ARG 101 -6.433 -9.598 4.910 728 1HD ARG 101 HD2 ARG 101 -5.229 -11.304 4.133 729 2HD ARG 101 HD1 ARG 101 -4.113 -10.993 5.462 730 HE ARG 101 HE ARG 101 -5.967 -13.185 5.221 731 1HH1 ARG 101 HH11 ARG 101 -4.049 -11.267 7.418 732 2HH1 ARG 101 HH12 ARG 101 -3.990 -12.496 8.636 733 1HH2 ARG 101 HH21 ARG 101 -5.890 -14.801 6.822 734 2HH2 ARG 101 HH22 ARG 101 -5.035 -14.502 8.298 735 H ASN 102 HN ASN 102 -4.192 -6.163 6.187 736 HA ASN 102 HA ASN 102 -3.151 -5.796 8.856 737 1HB ASN 102 HB2 ASN 102 -2.417 -4.545 6.203 738 2HB ASN 102 HB1 ASN 102 -1.573 -4.220 7.713 739 1HD2 ASN 102 HD21 ASN 102 -0.213 -5.202 5.571 740 2HD2 ASN 102 HD22 ASN 102 0.266 -6.834 5.874 741 H LEU 103 HN LEU 103 -5.195 -4.071 6.604 742 HA LEU 103 HA LEU 103 -5.136 -1.505 7.620 743 1HB LEU 103 HB2 LEU 103 -7.583 -2.967 6.626 744 2HB LEU 103 HB1 LEU 103 -7.379 -1.227 6.710 745 HG LEU 103 HG LEU 103 -5.872 -3.121 4.908 746 1HD1 LEU 103 HD11 LEU 103 -8.378 -1.983 4.605 747 2HD1 LEU 103 HD12 LEU 103 -7.364 -2.656 3.329 748 3HD1 LEU 103 HD13 LEU 103 -7.307 -0.930 3.681 749 1HD2 LEU 103 HD21 LEU 103 -4.338 -1.424 5.523 750 2HD2 LEU 103 HD22 LEU 103 -5.567 -0.167 5.385 751 3HD2 LEU 103 HD23 LEU 103 -4.970 -0.979 3.938 752 H VAL 104 HN VAL 104 -5.475 -0.751 9.598 753 HA VAL 104 HA VAL 104 -6.919 -2.329 11.547 754 HB VAL 104 HB VAL 104 -6.230 -0.662 13.179 755 1HG1 VAL 104 HG11 VAL 104 -3.760 -1.003 11.564 756 2HG1 VAL 104 HG12 VAL 104 -4.637 -2.451 12.059 757 3HG1 VAL 104 HG13 VAL 104 -4.049 -1.318 13.276 758 1HG2 VAL 104 HG21 VAL 104 -6.424 1.383 11.971 759 2HG2 VAL 104 HG22 VAL 104 -5.228 0.868 10.782 760 3HG2 VAL 104 HG23 VAL 104 -4.732 1.215 12.438 761 H SER 105 HN SER 105 -7.239 0.889 10.074 762 HA SER 105 HA SER 105 -9.990 1.020 11.102 763 1HB SER 105 HB2 SER 105 -8.083 2.883 11.433 764 2HB SER 105 HB1 SER 105 -8.740 3.428 9.890 765 HG SER 105 HG SER 105 -10.853 3.264 10.996 766 H ALA 106 HN ALA 106 -11.696 1.517 9.734 767 HA ALA 106 HA ALA 106 -11.124 1.180 6.864 768 1HB ALA 106 HB1 ALA 106 -12.400 -0.660 7.327 769 2HB ALA 106 HB2 ALA 106 -13.667 0.495 6.916 770 3HB ALA 106 HB3 ALA 106 -13.304 0.150 8.607 771 H ASN 107 HN ASN 107 -12.438 2.350 5.354 772 HA ASN 107 HA ASN 107 -12.737 5.058 5.901 773 1HB ASN 107 HB2 ASN 107 -14.071 5.112 3.776 774 2HB ASN 107 HB1 ASN 107 -12.526 4.282 3.628 775 1HD2 ASN 107 HD21 ASN 107 -15.976 3.917 3.732 776 2HD2 ASN 107 HD22 ASN 107 -16.025 2.297 3.135 777 H VAL 108 HN VAL 108 -14.125 6.018 7.225 778 HA VAL 108 HA VAL 108 -16.890 5.014 7.335 779 HB VAL 108 HB VAL 108 -15.395 4.596 9.419 780 1HG1 VAL 108 HG11 VAL 108 -16.129 7.479 9.900 781 2HG1 VAL 108 HG12 VAL 108 -14.506 6.901 9.521 782 3HG1 VAL 108 HG13 VAL 108 -15.293 6.401 11.018 783 1HG2 VAL 108 HG21 VAL 108 -17.920 6.005 10.128 784 2HG2 VAL 108 HG22 VAL 108 -17.292 4.458 10.696 785 3HG2 VAL 108 HG23 VAL 108 -18.001 4.585 9.086 786 H LYS 109 HN LYS 109 -18.489 6.636 7.965 787 HA LYS 109 HA LYS 109 -18.261 8.990 6.452 788 1HB LYS 109 HB2 LYS 109 -20.219 7.973 8.471 789 2HB LYS 109 HB1 LYS 109 -20.327 9.647 7.946 790 1HG LYS 109 HG2 LYS 109 -21.691 8.763 6.391 791 2HG LYS 109 HG1 LYS 109 -20.168 8.448 5.557 792 1HD LYS 109 HD2 LYS 109 -20.329 6.241 7.092 793 2HD LYS 109 HD1 LYS 109 -22.045 6.578 6.859 794 1HE LYS 109 HE2 LYS 109 -21.642 6.677 4.414 795 2HE LYS 109 HE1 LYS 109 -19.968 6.205 4.705 796 1HZ LYS 109 HZ1 LYS 109 -22.380 4.601 5.361 797 2HZ LYS 109 HZ2 LYS 109 -20.790 4.150 5.720 798 3HZ LYS 109 HZ3 LYS 109 -21.284 4.294 4.109 799 H GLU 110 HN GLU 110 -16.459 10.171 7.054 800 HA GLU 110 HA GLU 110 -16.800 11.761 9.476 801 1HB GLU 110 HB2 GLU 110 -14.543 9.894 8.945 802 2HB GLU 110 HB1 GLU 110 -14.159 11.444 9.680 803 1HG GLU 110 HG2 GLU 110 -16.309 10.563 11.155 804 2HG GLU 110 HG1 GLU 110 -15.400 9.088 10.833 805 H SER 111 HN SER 111 -14.710 13.355 9.490 806 HA SER 111 HA SER 111 -14.654 14.533 6.790 807 1HB SER 111 HB2 SER 111 -15.808 15.798 8.716 808 2HB SER 111 HB1 SER 111 -14.180 16.077 9.334 809 HG SER 111 HG SER 111 -15.372 17.011 6.965 810 H SER 112 HN SER 112 -12.740 14.914 5.841 811 HA SER 112 HA SER 112 -10.339 14.048 7.248 812 1HB SER 112 HB2 SER 112 -9.317 13.831 5.131 813 2HB SER 112 HB1 SER 112 -10.981 13.311 4.870 814 HG SER 112 HG SER 112 -9.648 15.302 3.687 815 H GLU 113 HN GLU 113 -8.685 15.351 7.824 816 HA GLU 113 HA GLU 113 -9.102 18.099 8.160 817 1HB GLU 113 HB2 GLU 113 -6.412 16.731 8.097 818 2HB GLU 113 HB1 GLU 113 -6.841 18.206 8.953 819 1HG GLU 113 HG2 GLU 113 -7.049 16.866 10.723 820 2HG GLU 113 HG1 GLU 113 -8.609 16.445 10.017 821 H ASP 114 HN ASP 114 -7.746 19.860 7.288 822 HA ASP 114 HA ASP 114 -7.577 19.623 4.392 823 1HB ASP 114 HB2 ASP 114 -7.234 22.111 4.497 824 2HB ASP 114 HB1 ASP 114 -8.757 21.555 5.184 825 H ILE 115 HN ILE 115 -5.723 20.299 3.202 826 HA ILE 115 HA ILE 115 -3.215 19.987 4.679 827 HB ILE 115 HB ILE 115 -3.629 19.512 1.727 828 1HG1 ILE 115 HG12 ILE 115 -3.484 17.444 3.932 829 2HG1 ILE 115 HG11 ILE 115 -4.971 17.942 3.132 830 1HG2 ILE 115 HG21 ILE 115 -1.336 20.056 2.519 831 2HG2 ILE 115 HG22 ILE 115 -1.478 18.454 1.795 832 3HG2 ILE 115 HG23 ILE 115 -1.398 18.626 3.549 833 1HD1 ILE 115 HD11 ILE 115 -3.647 17.263 0.970 834 2HD1 ILE 115 HD12 ILE 115 -4.472 16.056 1.958 835 3HD1 ILE 115 HD13 ILE 115 -2.730 16.284 2.115 836 H PHE 116 HN PHE 116 -2.597 21.974 5.110 837 HA PHE 116 HA PHE 116 -2.763 24.078 3.098 838 1HB PHE 116 HB2 PHE 116 -2.151 24.060 6.043 839 2HB PHE 116 HB1 PHE 116 -1.806 25.474 5.052 840 HD1 PHE 116 HD1 PHE 116 -4.038 24.332 7.303 841 HD2 PHE 116 HD2 PHE 116 -3.978 25.866 3.334 842 HE1 PHE 116 HE1 PHE 116 -6.370 25.073 7.558 843 HE2 PHE 116 HE2 PHE 116 -6.310 26.610 3.582 844 HZ PHE 116 HZ PHE 116 -7.509 26.214 5.696 845 H GLY 117 HN GLY 117 -0.424 22.045 4.694 846 1HA GLY 117 HA2 GLY 117 1.749 21.583 4.041 847 2HA GLY 117 HA1 GLY 117 1.586 22.782 2.767 848 H ASN 118 HN ASN 118 0.905 23.542 6.103 849 HA ASN 118 HA ASN 118 3.133 25.436 6.074 850 1HB ASN 118 HB2 ASN 118 0.722 26.091 6.665 851 2HB ASN 118 HB1 ASN 118 0.994 25.250 8.188 852 1HD2 ASN 118 HD21 ASN 118 0.375 27.736 8.518 853 2HD2 ASN 118 HD22 ASN 118 1.742 28.731 8.874 854 H VAL 119 HN VAL 119 4.973 24.927 7.040 855 HA VAL 119 HA VAL 119 6.498 24.022 8.468 856 HB VAL 119 HB VAL 119 4.184 23.504 10.335 857 1HG1 VAL 119 HG11 VAL 119 5.785 23.473 12.073 858 2HG1 VAL 119 HG12 VAL 119 7.056 24.084 11.014 859 3HG1 VAL 119 HG13 VAL 119 6.435 22.448 10.793 860 1HG2 VAL 119 HG21 VAL 119 4.481 25.687 11.241 861 2HG2 VAL 119 HG22 VAL 119 4.297 25.868 9.497 862 3HG2 VAL 119 HG23 VAL 119 5.897 25.980 10.232 863 H30 IMY 120 1H30 IMY 120 2.358 -6.304 -15.970 864 1H30 IMY 120 2H30 IMY 120 2.157 -7.789 -14.960 865 2H30 IMY 120 3H30 IMY 120 3.523 -7.632 -16.071 866 H26 IMY 120 H26 IMY 120 0.993 -6.192 -13.834 867 H25 IMY 120 H25 IMY 120 0.104 -4.678 -12.163 868 H31 IMY 120 H31 IMY 120 6.177 -3.377 -11.764 869 1H32 IMY 120 1H32 IMY 120 5.820 -2.890 -8.735 870 2H32 IMY 120 2H32 IMY 120 7.358 -2.912 -9.613 871 3H32 IMY 120 3H32 IMY 120 6.189 -1.602 -9.867 872 1H33 IMY 120 1H33 IMY 120 5.272 -5.584 -11.255 873 2H33 IMY 120 2H33 IMY 120 6.740 -5.301 -10.305 874 3H33 IMY 120 3H33 IMY 120 5.132 -5.193 -9.549 875 H28 IMY 120 H28 IMY 120 4.982 -4.938 -12.942 876 H4 IMY 120 H4 IMY 120 -0.842 -1.787 -9.662 877 H3 IMY 120 H3 IMY 120 0.866 -0.755 -8.439 878 H18 IMY 120 H18 IMY 120 3.037 -3.803 -8.311 879 H17 IMY 120 H17 IMY 120 3.826 -4.830 -6.246 880 H15 IMY 120 H15 IMY 120 1.332 -2.280 -3.924 881 H14 IMY 120 H14 IMY 120 0.467 -1.215 -5.972 882 H20 IMY 120 H20 IMY 120 -2.407 -1.289 -7.812 883 H21 IMY 120 H21 IMY 120 -4.003 -2.227 -6.218 884 H23 IMY 120 H23 IMY 120 -1.981 -6.015 -6.379 885 H24 IMY 120 H24 IMY 120 -0.465 -5.152 -8.081 Start of MODEL 18 1 1H ASN 13 HT1 ASN 13 -11.278 -0.573 -10.855 2 2H ASN 13 HT2 ASN 13 -10.661 -2.158 -11.082 3 3H ASN 13 HT3 ASN 13 -11.362 -1.310 -12.399 4 HA ASN 13 HA ASN 13 -8.807 -0.860 -11.046 5 1HB ASN 13 HB2 ASN 13 -9.798 -1.844 -13.620 6 2HB ASN 13 HB1 ASN 13 -8.551 -0.613 -13.790 7 1HD2 ASN 13 HD21 ASN 13 -9.157 -3.355 -11.614 8 2HD2 ASN 13 HD22 ASN 13 -7.582 -4.046 -11.774 9 H HIS 14 HN HIS 14 -11.260 0.632 -13.125 10 HA HIS 14 HA HIS 14 -9.901 3.219 -12.792 11 1HB HIS 14 HB2 HIS 14 -11.213 1.950 -15.033 12 2HB HIS 14 HB1 HIS 14 -11.957 3.507 -14.686 13 HD1 HIS 14 HD1 HIS 14 -8.850 1.952 -15.996 14 HD2 HIS 14 HD2 HIS 14 -10.255 5.744 -15.041 15 HE1 HIS 14 HE1 HIS 14 -7.210 3.555 -17.027 16 HE2 HIS 14 HE2 HIS 14 -8.035 5.842 -16.364 17 H ILE 15 HN ILE 15 -10.714 3.878 -10.818 18 HA ILE 15 HA ILE 15 -12.190 4.716 -9.304 19 HB ILE 15 HB ILE 15 -14.286 5.350 -11.285 20 1HG1 ILE 15 HG12 ILE 15 -12.523 7.345 -11.888 21 2HG1 ILE 15 HG11 ILE 15 -11.442 5.960 -11.799 22 1HG2 ILE 15 HG21 ILE 15 -12.869 7.450 -9.786 23 2HG2 ILE 15 HG22 ILE 15 -13.666 6.216 -8.811 24 3HG2 ILE 15 HG23 ILE 15 -14.597 7.156 -9.976 25 1HD1 ILE 15 HD11 ILE 15 -13.072 6.749 -13.936 26 2HD1 ILE 15 HD12 ILE 15 -13.766 5.257 -13.302 27 3HD1 ILE 15 HD13 ILE 15 -12.077 5.299 -13.808 28 H SER 16 HN SER 16 -15.020 4.795 -9.291 29 HA SER 16 HA SER 16 -16.902 3.510 -8.932 30 1HB SER 16 HB2 SER 16 -16.060 2.335 -11.109 31 2HB SER 16 HB1 SER 16 -15.531 1.062 -10.009 32 HG SER 16 HG SER 16 -17.769 0.985 -10.953 33 H THR 17 HN THR 17 -16.545 3.733 -6.712 34 HA THR 17 HA THR 17 -16.495 2.876 -4.598 35 HB THR 17 HB THR 17 -15.431 0.232 -5.470 36 HG1 THR 17 HG1 THR 17 -17.324 -0.368 -6.371 37 1HG2 THR 17 HG21 THR 17 -16.220 0.893 -3.102 38 2HG2 THR 17 HG22 THR 17 -16.714 -0.658 -3.780 39 3HG2 THR 17 HG23 THR 17 -17.839 0.701 -3.775 40 H SER 18 HN SER 18 -13.957 3.432 -6.547 41 HA SER 18 HA SER 18 -11.968 2.756 -4.486 42 1HB SER 18 HB2 SER 18 -11.894 2.718 -7.440 43 2HB SER 18 HB1 SER 18 -10.459 3.382 -6.660 44 HG SER 18 HG SER 18 -11.628 0.844 -6.156 45 H ASP 19 HN ASP 19 -11.823 4.505 -3.197 46 HA ASP 19 HA ASP 19 -10.564 6.848 -4.129 47 1HB ASP 19 HB2 ASP 19 -13.153 6.985 -4.798 48 2HB ASP 19 HB1 ASP 19 -13.272 7.584 -3.146 49 H GLN 20 HN GLN 20 -10.851 8.666 -2.317 50 HA GLN 20 HA GLN 20 -9.893 7.466 0.085 51 1HB GLN 20 HB2 GLN 20 -10.552 10.315 -0.653 52 2HB GLN 20 HB1 GLN 20 -9.922 9.860 0.924 53 1HG GLN 20 HG2 GLN 20 -7.979 8.809 -0.315 54 2HG GLN 20 HG1 GLN 20 -8.572 9.650 -1.747 55 1HE2 GLN 20 HE21 GLN 20 -6.607 9.851 0.943 56 2HE2 GLN 20 HE22 GLN 20 -6.323 11.555 0.938 57 H GLU 21 HN GLU 21 -10.942 6.954 1.901 58 HA GLU 21 HA GLU 21 -13.450 8.187 2.601 59 1HB GLU 21 HB2 GLU 21 -13.356 5.213 2.104 60 2HB GLU 21 HB1 GLU 21 -14.737 6.124 2.698 61 1HG GLU 21 HG2 GLU 21 -14.757 7.377 0.555 62 2HG GLU 21 HG1 GLU 21 -13.480 6.311 -0.028 63 H LYS 22 HN LYS 22 -11.574 5.285 3.304 64 HA LYS 22 HA LYS 22 -11.537 6.086 6.132 65 1HB LYS 22 HB2 LYS 22 -11.053 3.362 6.159 66 2HB LYS 22 HB1 LYS 22 -12.565 4.151 6.577 67 1HG LYS 22 HG2 LYS 22 -13.015 2.380 5.039 68 2HG LYS 22 HG1 LYS 22 -13.282 3.919 4.216 69 1HD LYS 22 HD2 LYS 22 -12.050 2.863 2.616 70 2HD LYS 22 HD1 LYS 22 -10.742 3.578 3.561 71 1HE LYS 22 HE2 LYS 22 -11.611 0.966 4.541 72 2HE LYS 22 HE1 LYS 22 -10.968 0.926 2.900 73 1HZ LYS 22 HZ1 LYS 22 -8.903 1.376 3.609 74 2HZ LYS 22 HZ2 LYS 22 -9.461 0.808 5.101 75 3HZ LYS 22 HZ3 LYS 22 -9.414 2.470 4.795 76 H LEU 23 HN LEU 23 -9.610 6.548 6.918 77 HA LEU 23 HA LEU 23 -7.241 5.923 5.377 78 1HB LEU 23 HB2 LEU 23 -7.227 7.297 8.040 79 2HB LEU 23 HB1 LEU 23 -6.109 7.481 6.703 80 HG LEU 23 HG LEU 23 -8.864 8.288 6.076 81 1HD1 LEU 23 HD11 LEU 23 -8.868 10.311 7.336 82 2HD1 LEU 23 HD12 LEU 23 -7.265 9.973 7.989 83 3HD1 LEU 23 HD13 LEU 23 -8.639 8.975 8.465 84 1HD2 LEU 23 HD21 LEU 23 -6.587 10.138 5.833 85 2HD2 LEU 23 HD22 LEU 23 -7.824 9.695 4.656 86 3HD2 LEU 23 HD23 LEU 23 -6.448 8.628 4.933 87 H VAL 24 HN VAL 24 -5.632 4.534 5.930 88 HA VAL 24 HA VAL 24 -6.121 2.863 8.302 89 HB VAL 24 HB VAL 24 -4.363 1.358 6.922 90 1HG1 VAL 24 HG11 VAL 24 -6.574 0.711 7.831 91 2HG1 VAL 24 HG12 VAL 24 -6.233 -0.001 6.252 92 3HG1 VAL 24 HG13 VAL 24 -7.328 1.375 6.381 93 1HG2 VAL 24 HG21 VAL 24 -5.140 1.362 4.521 94 2HG2 VAL 24 HG22 VAL 24 -4.140 2.737 4.994 95 3HG2 VAL 24 HG23 VAL 24 -5.887 2.927 4.846 96 H GLN 25 HN GLN 25 -4.134 1.991 9.381 97 HA GLN 25 HA GLN 25 -2.025 4.049 9.377 98 1HB GLN 25 HB2 GLN 25 -3.016 2.251 11.581 99 2HB GLN 25 HB1 GLN 25 -1.565 3.231 11.709 100 1HG GLN 25 HG2 GLN 25 -4.288 4.366 11.154 101 2HG GLN 25 HG1 GLN 25 -3.606 4.171 12.772 102 1HE2 GLN 25 HE21 GLN 25 -3.917 6.504 12.869 103 2HE2 GLN 25 HE22 GLN 25 -2.691 7.538 12.227 104 HA PRO 26 HA PRO 26 0.290 0.417 7.822 105 1HB PRO 26 HB2 PRO 26 2.257 2.515 7.162 106 2HB PRO 26 HB1 PRO 26 1.521 1.305 6.110 107 1HG PRO 26 HG2 PRO 26 0.861 3.896 5.932 108 2HG PRO 26 HG1 PRO 26 -0.342 2.616 5.688 109 1HD PRO 26 HD2 PRO 26 0.146 4.325 8.105 110 2HD PRO 26 HD1 PRO 26 -1.395 3.837 7.364 111 H THR 27 HN THR 27 1.459 -0.734 9.239 112 HA THR 27 HA THR 27 2.440 0.092 11.650 113 HB THR 27 HB THR 27 3.782 -1.914 11.705 114 HG1 THR 27 HG1 THR 27 3.407 -2.040 8.897 115 1HG2 THR 27 HG21 THR 27 1.073 -1.957 10.948 116 2HG2 THR 27 HG22 THR 27 1.990 -3.195 11.804 117 3HG2 THR 27 HG23 THR 27 1.887 -3.233 10.044 118 HA PRO 28 HA PRO 28 6.029 2.616 11.394 119 1HB PRO 28 HB2 PRO 28 7.503 0.355 12.693 120 2HB PRO 28 HB1 PRO 28 7.504 2.075 13.099 121 1HG PRO 28 HG2 PRO 28 6.083 0.339 14.537 122 2HG PRO 28 HG1 PRO 28 5.457 1.959 14.180 123 1HD PRO 28 HD2 PRO 28 4.656 -0.670 13.055 124 2HD PRO 28 HD1 PRO 28 3.696 0.805 13.276 125 H LEU 29 HN LEU 29 6.300 -0.752 10.423 126 HA LEU 29 HA LEU 29 8.707 -0.404 8.916 127 1HB LEU 29 HB2 LEU 29 7.904 -2.577 9.876 128 2HB LEU 29 HB1 LEU 29 6.644 -2.589 8.660 129 HG LEU 29 HG LEU 29 8.161 -2.962 6.909 130 1HD1 LEU 29 HD11 LEU 29 9.804 -1.264 7.480 131 2HD1 LEU 29 HD12 LEU 29 10.595 -2.807 7.155 132 3HD1 LEU 29 HD13 LEU 29 10.387 -2.254 8.817 133 1HD2 LEU 29 HD21 LEU 29 9.526 -4.498 9.082 134 2HD2 LEU 29 HD22 LEU 29 9.088 -5.012 7.453 135 3HD2 LEU 29 HD23 LEU 29 7.839 -4.820 8.682 136 H LEU 30 HN LEU 30 5.322 -1.000 7.933 137 HA LEU 30 HA LEU 30 5.674 -0.551 5.203 138 1HB LEU 30 HB2 LEU 30 3.640 -1.510 6.354 139 2HB LEU 30 HB1 LEU 30 3.193 0.131 6.778 140 HG LEU 30 HG LEU 30 2.861 0.724 4.484 141 1HD1 LEU 30 HD11 LEU 30 4.380 -0.198 3.097 142 2HD1 LEU 30 HD12 LEU 30 3.116 -1.406 2.865 143 3HD1 LEU 30 HD13 LEU 30 4.437 -1.718 3.991 144 1HD2 LEU 30 HD21 LEU 30 0.937 -0.460 4.078 145 2HD2 LEU 30 HD22 LEU 30 1.198 -0.831 5.782 146 3HD2 LEU 30 HD23 LEU 30 1.656 -2.002 4.544 147 H LEU 31 HN LEU 31 5.091 1.661 7.855 148 HA LEU 31 HA LEU 31 4.466 4.006 6.562 149 1HB LEU 31 HB2 LEU 31 5.582 3.236 9.125 150 2HB LEU 31 HB1 LEU 31 6.245 4.763 8.579 151 HG LEU 31 HG LEU 31 3.314 4.139 8.932 152 1HD1 LEU 31 HD11 LEU 31 4.424 4.359 11.056 153 2HD1 LEU 31 HD12 LEU 31 3.468 5.809 10.747 154 3HD1 LEU 31 HD13 LEU 31 5.218 5.842 10.528 155 1HD2 LEU 31 HD21 LEU 31 4.371 5.916 7.164 156 2HD2 LEU 31 HD22 LEU 31 4.183 6.917 8.604 157 3HD2 LEU 31 HD23 LEU 31 2.789 6.073 7.928 158 H SER 32 HN SER 32 7.774 3.163 7.608 159 HA SER 32 HA SER 32 9.173 5.147 6.355 160 1HB SER 32 HB2 SER 32 9.816 2.375 7.195 161 2HB SER 32 HB1 SER 32 10.940 3.121 6.059 162 HG SER 32 HG SER 32 11.250 4.798 7.512 163 H LEU 33 HN LEU 33 8.076 2.095 4.877 164 HA LEU 33 HA LEU 33 9.394 2.407 2.418 165 1HB LEU 33 HB2 LEU 33 6.682 1.277 2.233 166 2HB LEU 33 HB1 LEU 33 8.203 0.630 1.677 167 HG LEU 33 HG LEU 33 7.118 0.469 4.484 168 1HD1 LEU 33 HD11 LEU 33 7.786 -1.771 2.599 169 2HD1 LEU 33 HD12 LEU 33 6.181 -1.046 2.686 170 3HD1 LEU 33 HD13 LEU 33 6.867 -1.839 4.103 171 1HD2 LEU 33 HD21 LEU 33 9.214 -1.133 4.594 172 2HD2 LEU 33 HD22 LEU 33 9.353 0.589 4.945 173 3HD2 LEU 33 HD23 LEU 33 9.826 -0.030 3.363 174 H LEU 34 HN LEU 34 6.412 3.734 3.671 175 HA LEU 34 HA LEU 34 5.598 4.972 1.215 176 1HB LEU 34 HB2 LEU 34 4.749 5.645 4.038 177 2HB LEU 34 HB1 LEU 34 3.907 6.080 2.565 178 HG LEU 34 HG LEU 34 4.330 3.207 3.349 179 1HD1 LEU 34 HD11 LEU 34 1.758 3.630 3.983 180 2HD1 LEU 34 HD12 LEU 34 2.441 5.189 4.445 181 3HD1 LEU 34 HD13 LEU 34 3.073 3.704 5.156 182 1HD2 LEU 34 HD21 LEU 34 2.815 4.691 1.289 183 2HD2 LEU 34 HD22 LEU 34 2.027 3.283 2.001 184 3HD2 LEU 34 HD23 LEU 34 3.593 3.111 1.208 185 H LYS 35 HN LYS 35 7.463 5.836 4.037 186 HA LYS 35 HA LYS 35 7.621 8.598 3.767 187 1HB LYS 35 HB2 LYS 35 9.334 6.488 4.979 188 2HB LYS 35 HB1 LYS 35 10.052 8.071 4.754 189 1HG LYS 35 HG2 LYS 35 9.034 7.641 7.002 190 2HG LYS 35 HG1 LYS 35 8.473 9.092 6.179 191 1HD LYS 35 HD2 LYS 35 6.521 7.690 5.352 192 2HD LYS 35 HD1 LYS 35 7.040 6.473 6.519 193 1HE LYS 35 HE2 LYS 35 6.531 9.316 7.329 194 2HE LYS 35 HE1 LYS 35 5.225 8.135 7.238 195 1HZ LYS 35 HZ1 LYS 35 5.831 7.825 9.380 196 2HZ LYS 35 HZ2 LYS 35 7.428 8.326 9.138 197 3HZ LYS 35 HZ3 LYS 35 6.954 6.768 8.683 198 H SER 36 HN SER 36 9.339 6.039 2.097 199 HA SER 36 HA SER 36 10.995 7.965 0.662 200 1HB SER 36 HB2 SER 36 11.375 5.301 1.492 201 2HB SER 36 HB1 SER 36 11.287 5.246 -0.268 202 HG SER 36 HG SER 36 12.847 7.065 -0.158 203 H ALA 37 HN ALA 37 8.116 6.117 0.264 204 HA ALA 37 HA ALA 37 8.120 6.081 -2.598 205 1HB ALA 37 HB1 ALA 37 5.884 5.626 -0.624 206 2HB ALA 37 HB2 ALA 37 6.896 4.393 -1.375 207 3HB ALA 37 HB3 ALA 37 5.779 5.336 -2.360 208 H GLY 38 HN GLY 38 7.733 8.580 -0.427 209 1HA GLY 38 HA2 GLY 38 7.411 10.807 -1.303 210 2HA GLY 38 HA1 GLY 38 6.246 10.141 -2.438 211 H ALA 39 HN ALA 39 6.457 9.450 1.010 212 HA ALA 39 HA ALA 39 3.796 10.662 1.323 213 1HB ALA 39 HB1 ALA 39 5.011 8.316 2.770 214 2HB ALA 39 HB2 ALA 39 3.698 8.275 1.593 215 3HB ALA 39 HB3 ALA 39 3.457 9.043 3.159 216 H GLN 40 HN GLN 40 3.366 11.898 3.256 217 HA GLN 40 HA GLN 40 5.786 12.645 4.760 218 1HB GLN 40 HB2 GLN 40 3.591 14.282 3.594 219 2HB GLN 40 HB1 GLN 40 4.265 14.804 5.132 220 1HG GLN 40 HG2 GLN 40 5.648 15.944 3.764 221 2HG GLN 40 HG1 GLN 40 6.540 14.424 3.810 222 1HE2 GLN 40 HE21 GLN 40 7.466 14.985 1.794 223 2HE2 GLN 40 HE22 GLN 40 6.579 14.788 0.324 224 H LYS 41 HN LYS 41 2.244 12.377 4.958 225 HA LYS 41 HA LYS 41 2.139 12.649 7.786 226 1HB LYS 41 HB2 LYS 41 -0.193 11.742 7.513 227 2HB LYS 41 HB1 LYS 41 0.168 13.172 6.557 228 1HG LYS 41 HG2 LYS 41 0.662 10.614 5.205 229 2HG LYS 41 HG1 LYS 41 -1.025 10.949 5.597 230 1HD LYS 41 HD2 LYS 41 -0.218 13.346 4.593 231 2HD LYS 41 HD1 LYS 41 0.751 12.224 3.636 232 1HE LYS 41 HE2 LYS 41 -1.195 11.080 2.869 233 2HE LYS 41 HE1 LYS 41 -2.225 11.950 4.006 234 1HZ LYS 41 HZ1 LYS 41 -1.627 14.015 2.800 235 2HZ LYS 41 HZ2 LYS 41 -2.492 12.909 1.857 236 3HZ LYS 41 HZ3 LYS 41 -0.822 13.076 1.646 237 H GLU 42 HN GLU 42 0.818 10.763 8.967 238 HA GLU 42 HA GLU 42 2.537 8.394 8.740 239 1HB GLU 42 HB2 GLU 42 0.791 9.339 11.021 240 2HB GLU 42 HB1 GLU 42 1.785 7.889 11.043 241 1HG GLU 42 HG2 GLU 42 3.129 10.446 10.403 242 2HG GLU 42 HG1 GLU 42 2.593 10.199 12.064 243 H THR 43 HN THR 43 -0.778 9.461 8.571 244 HA THR 43 HA THR 43 -1.690 6.681 8.298 245 HB THR 43 HB THR 43 -3.706 8.823 8.230 246 HG1 THR 43 HG1 THR 43 -2.092 8.397 10.516 247 1HG2 THR 43 HG21 THR 43 -4.852 6.960 8.650 248 2HG2 THR 43 HG22 THR 43 -4.331 7.207 10.317 249 3HG2 THR 43 HG23 THR 43 -3.436 6.109 9.266 250 H PHE 44 HN PHE 44 -3.028 6.073 6.526 251 HA PHE 44 HA PHE 44 -3.285 7.883 4.279 252 1HB PHE 44 HB2 PHE 44 -1.718 5.322 3.948 253 2HB PHE 44 HB1 PHE 44 -2.044 6.530 2.712 254 HD1 PHE 44 HD1 PHE 44 -0.174 5.836 5.807 255 HD2 PHE 44 HD2 PHE 44 -0.679 8.439 2.478 256 HE1 PHE 44 HE1 PHE 44 1.954 6.943 6.354 257 HE2 PHE 44 HE2 PHE 44 1.444 9.555 3.029 258 HZ PHE 44 HZ PHE 44 2.760 8.807 4.969 259 H THR 45 HN THR 45 -4.853 7.249 2.813 260 HA THR 45 HA THR 45 -6.686 5.229 3.737 261 HB THR 45 HB THR 45 -8.034 5.905 1.754 262 HG1 THR 45 HG1 THR 45 -7.014 6.819 0.188 263 1HG2 THR 45 HG21 THR 45 -7.818 7.287 4.012 264 2HG2 THR 45 HG22 THR 45 -8.829 7.810 2.665 265 3HG2 THR 45 HG23 THR 45 -7.225 8.508 2.886 266 H MET 46 HN MET 46 -7.343 3.382 2.518 267 HA MET 46 HA MET 46 -5.386 1.731 1.641 268 1HB MET 46 HB2 MET 46 -8.169 1.637 1.775 269 2HB MET 46 HB1 MET 46 -7.790 1.248 0.101 270 1HG MET 46 HG2 MET 46 -7.806 -0.810 1.189 271 2HG MET 46 HG1 MET 46 -6.102 -0.391 1.039 272 1HE MET 46 HE1 MET 46 -4.527 -0.257 2.649 273 2HE MET 46 HE2 MET 46 -5.040 -1.887 3.096 274 3HE MET 46 HE3 MET 46 -4.716 -0.687 4.350 275 H LYS 47 HN LYS 47 -6.900 4.272 -0.209 276 HA LYS 47 HA LYS 47 -5.966 3.358 -2.756 277 1HB LYS 47 HB2 LYS 47 -7.063 5.989 -1.774 278 2HB LYS 47 HB1 LYS 47 -6.493 5.777 -3.423 279 1HG LYS 47 HG2 LYS 47 -8.715 4.227 -2.107 280 2HG LYS 47 HG1 LYS 47 -8.905 5.526 -3.285 281 1HD LYS 47 HD2 LYS 47 -7.689 2.802 -3.719 282 2HD LYS 47 HD1 LYS 47 -9.152 3.460 -4.451 283 1HE LYS 47 HE2 LYS 47 -7.551 5.287 -5.376 284 2HE LYS 47 HE1 LYS 47 -6.288 4.108 -5.027 285 1HZ LYS 47 HZ1 LYS 47 -8.522 2.984 -6.438 286 2HZ LYS 47 HZ2 LYS 47 -6.869 2.881 -6.777 287 3HZ LYS 47 HZ3 LYS 47 -7.757 4.221 -7.303 288 H GLU 48 HN GLU 48 -4.897 5.899 -0.496 289 HA GLU 48 HA GLU 48 -2.626 6.645 -2.023 290 1HB GLU 48 HB2 GLU 48 -2.810 6.951 0.961 291 2HB GLU 48 HB1 GLU 48 -1.992 7.988 -0.196 292 1HG GLU 48 HG2 GLU 48 -4.709 7.969 -0.920 293 2HG GLU 48 HG1 GLU 48 -4.648 8.170 0.831 294 H VAL 49 HN VAL 49 -3.054 4.501 0.775 295 HA VAL 49 HA VAL 49 -0.415 3.778 1.217 296 HB VAL 49 HB VAL 49 -2.705 1.819 1.377 297 1HG1 VAL 49 HG11 VAL 49 -1.352 0.523 2.608 298 2HG1 VAL 49 HG12 VAL 49 -0.660 1.895 3.473 299 3HG1 VAL 49 HG13 VAL 49 -0.052 1.463 1.875 300 1HG2 VAL 49 HG21 VAL 49 -2.654 4.316 2.607 301 2HG2 VAL 49 HG22 VAL 49 -2.131 3.190 3.857 302 3HG2 VAL 49 HG23 VAL 49 -3.673 2.944 3.037 303 H LEU 50 HN LEU 50 -2.785 1.923 -0.680 304 HA LEU 50 HA LEU 50 -0.968 0.138 -1.824 305 1HB LEU 50 HB2 LEU 50 -3.681 0.477 -1.855 306 2HB LEU 50 HB1 LEU 50 -3.262 0.868 -3.511 307 HG LEU 50 HG LEU 50 -2.587 -1.701 -2.081 308 1HD1 LEU 50 HD11 LEU 50 -4.185 -2.693 -3.693 309 2HD1 LEU 50 HD12 LEU 50 -4.627 -1.064 -4.204 310 3HD1 LEU 50 HD13 LEU 50 -4.941 -1.584 -2.548 311 1HD2 LEU 50 HD21 LEU 50 -2.200 -0.985 -4.980 312 2HD2 LEU 50 HD22 LEU 50 -1.745 -2.490 -4.181 313 3HD2 LEU 50 HD23 LEU 50 -0.916 -0.988 -3.772 314 H TYR 51 HN TYR 51 -1.691 3.429 -2.598 315 HA TYR 51 HA TYR 51 -0.741 3.390 -5.283 316 1HB TYR 51 HB2 TYR 51 -2.276 5.126 -4.522 317 2HB TYR 51 HB1 TYR 51 -1.083 5.708 -3.370 318 HD1 TYR 51 HD1 TYR 51 -2.080 5.620 -6.882 319 HD2 TYR 51 HD2 TYR 51 0.871 6.963 -4.127 320 HE1 TYR 51 HE1 TYR 51 -1.187 7.145 -8.592 321 HE2 TYR 51 HE2 TYR 51 1.772 8.493 -5.829 322 HH TYR 51 HH TYR 51 1.796 8.636 -8.349 323 H HIS 52 HN HIS 52 0.730 4.766 -2.305 324 HA HIS 52 HA HIS 52 3.186 5.405 -3.436 325 1HB HIS 52 HB2 HIS 52 3.040 4.373 -0.619 326 2HB HIS 52 HB1 HIS 52 4.040 5.655 -1.276 327 HD1 HIS 52 HD1 HIS 52 2.441 7.785 -2.206 328 HD2 HIS 52 HD2 HIS 52 1.012 5.372 0.860 329 HE1 HIS 52 HE1 HIS 52 0.678 9.149 -1.044 330 HE2 HIS 52 HE2 HIS 52 -0.258 7.621 0.727 331 H LEU 53 HN LEU 53 2.091 2.350 -2.009 332 HA LEU 53 HA LEU 53 4.393 0.896 -1.953 333 1HB LEU 53 HB2 LEU 53 1.592 0.383 -1.969 334 2HB LEU 53 HB1 LEU 53 2.364 -0.769 -3.043 335 HG LEU 53 HG LEU 53 3.769 -1.568 -1.294 336 1HD1 LEU 53 HD11 LEU 53 2.977 0.918 0.032 337 2HD1 LEU 53 HD12 LEU 53 4.477 -0.007 0.141 338 3HD1 LEU 53 HD13 LEU 53 3.066 -0.497 1.082 339 1HD2 LEU 53 HD21 LEU 53 1.913 -2.830 -1.039 340 2HD2 LEU 53 HD22 LEU 53 0.858 -1.427 -0.866 341 3HD2 LEU 53 HD23 LEU 53 1.823 -1.980 0.503 342 H GLY 54 HN GLY 54 2.222 1.299 -4.758 343 1HA GLY 54 HA2 GLY 54 3.644 -0.230 -6.598 344 2HA GLY 54 HA1 GLY 54 2.659 1.169 -7.015 345 H GLN 55 HN GLN 55 4.152 3.070 -5.511 346 HA GLN 55 HA GLN 55 6.287 3.559 -7.390 347 1HB GLN 55 HB2 GLN 55 5.323 5.126 -4.991 348 2HB GLN 55 HB1 GLN 55 6.581 5.671 -6.091 349 1HG GLN 55 HG2 GLN 55 4.561 5.101 -7.818 350 2HG GLN 55 HG1 GLN 55 3.673 5.663 -6.403 351 1HE2 GLN 55 HE21 GLN 55 3.276 7.223 -8.381 352 2HE2 GLN 55 HE22 GLN 55 4.238 8.657 -8.346 353 H TYR 56 HN TYR 56 5.927 2.420 -4.126 354 HA TYR 56 HA TYR 56 8.581 2.819 -3.237 355 1HB TYR 56 HB2 TYR 56 6.899 2.417 -1.588 356 2HB TYR 56 HB1 TYR 56 6.398 0.921 -2.368 357 HD1 TYR 56 HD1 TYR 56 9.326 2.471 -0.667 358 HD2 TYR 56 HD2 TYR 56 7.228 -1.106 -1.596 359 HE1 TYR 56 HE1 TYR 56 10.878 1.207 0.757 360 HE2 TYR 56 HE2 TYR 56 8.765 -2.387 -0.162 361 HH TYR 56 HH TYR 56 10.282 -1.814 1.885 362 H ILE 57 HN ILE 57 6.935 -0.009 -4.628 363 HA ILE 57 HA ILE 57 9.129 -1.752 -4.576 364 HB ILE 57 HB ILE 57 6.865 -1.747 -6.576 365 1HG1 ILE 57 HG12 ILE 57 7.077 -3.051 -3.853 366 2HG1 ILE 57 HG11 ILE 57 6.007 -1.722 -4.288 367 1HG2 ILE 57 HG21 ILE 57 7.989 -4.299 -5.703 368 2HG2 ILE 57 HG22 ILE 57 9.128 -3.285 -6.587 369 3HG2 ILE 57 HG23 ILE 57 7.588 -3.729 -7.323 370 1HD1 ILE 57 HD11 ILE 57 5.006 -4.053 -4.161 371 2HD1 ILE 57 HD12 ILE 57 5.864 -4.376 -5.668 372 3HD1 ILE 57 HD13 ILE 57 4.652 -3.097 -5.600 373 H MET 58 HN MET 58 7.861 0.178 -7.305 374 HA MET 58 HA MET 58 9.847 -0.471 -9.143 375 1HB MET 58 HB2 MET 58 9.143 1.452 -10.400 376 2HB MET 58 HB1 MET 58 7.721 0.727 -9.662 377 1HG MET 58 HG2 MET 58 7.775 2.426 -7.904 378 2HG MET 58 HG1 MET 58 9.188 3.158 -8.662 379 1HE MET 58 HE1 MET 58 8.851 5.302 -9.996 380 2HE MET 58 HE2 MET 58 7.901 5.226 -11.480 381 3HE MET 58 HE3 MET 58 9.159 4.028 -11.176 382 H ALA 59 HN ALA 59 9.855 1.825 -6.513 383 HA ALA 59 HA ALA 59 12.185 3.251 -7.317 384 1HB ALA 59 HB1 ALA 59 10.489 3.115 -4.897 385 2HB ALA 59 HB2 ALA 59 11.070 4.514 -5.799 386 3HB ALA 59 HB3 ALA 59 12.144 3.682 -4.675 387 H LYS 60 HN LYS 60 11.680 0.849 -4.722 388 HA LYS 60 HA LYS 60 14.435 0.485 -4.205 389 1HB LYS 60 HB2 LYS 60 11.934 -0.994 -3.491 390 2HB LYS 60 HB1 LYS 60 13.493 -1.746 -3.186 391 1HG LYS 60 HG2 LYS 60 12.564 -0.552 -1.236 392 2HG LYS 60 HG1 LYS 60 14.147 0.044 -1.738 393 1HD LYS 60 HD2 LYS 60 12.991 1.869 -2.976 394 2HD LYS 60 HD1 LYS 60 11.465 1.306 -2.296 395 1HE LYS 60 HE2 LYS 60 12.065 3.000 -0.837 396 2HE LYS 60 HE1 LYS 60 12.672 1.561 -0.018 397 1HZ LYS 60 HZ1 LYS 60 14.827 2.115 -0.438 398 2HZ LYS 60 HZ2 LYS 60 14.166 3.668 -0.329 399 3HZ LYS 60 HZ3 LYS 60 14.467 2.983 -1.846 400 H GLN 61 HN GLN 61 12.313 -0.776 -6.611 401 HA GLN 61 HA GLN 61 12.719 -2.047 -8.456 402 1HB GLN 61 HB2 GLN 61 15.026 -0.949 -8.299 403 2HB GLN 61 HB1 GLN 61 15.559 -2.438 -7.530 404 1HG GLN 61 HG2 GLN 61 15.828 -3.398 -9.499 405 2HG GLN 61 HG1 GLN 61 14.142 -3.090 -9.914 406 1HE2 GLN 61 HE21 GLN 61 14.150 -0.328 -9.983 407 2HE2 GLN 61 HE22 GLN 61 15.131 0.204 -11.301 408 H LEU 62 HN LEU 62 11.361 -3.328 -6.714 409 HA LEU 62 HA LEU 62 12.706 -5.777 -5.887 410 1HB LEU 62 HB2 LEU 62 9.811 -5.055 -5.492 411 2HB LEU 62 HB1 LEU 62 10.732 -6.275 -4.637 412 HG LEU 62 HG LEU 62 10.914 -3.284 -4.356 413 1HD1 LEU 62 HD11 LEU 62 10.264 -3.660 -2.118 414 2HD1 LEU 62 HD12 LEU 62 10.529 -5.399 -2.256 415 3HD1 LEU 62 HD13 LEU 62 9.185 -4.641 -3.110 416 1HD2 LEU 62 HD21 LEU 62 13.187 -4.339 -4.463 417 2HD2 LEU 62 HD22 LEU 62 12.737 -5.294 -3.051 418 3HD2 LEU 62 HD23 LEU 62 12.811 -3.537 -2.939 419 H TYR 63 HN TYR 63 11.002 -4.656 -8.570 420 HA TYR 63 HA TYR 63 9.672 -7.119 -9.234 421 1HB TYR 63 HB2 TYR 63 9.122 -6.005 -11.345 422 2HB TYR 63 HB1 TYR 63 8.770 -4.958 -9.975 423 HD1 TYR 63 HD1 TYR 63 11.224 -5.591 -12.680 424 HD2 TYR 63 HD2 TYR 63 9.782 -2.836 -9.777 425 HE1 TYR 63 HE1 TYR 63 12.608 -3.822 -13.680 426 HE2 TYR 63 HE2 TYR 63 11.164 -1.059 -10.767 427 HH TYR 63 HH TYR 63 13.101 -0.784 -12.147 428 H ASP 64 HN ASP 64 10.183 -8.494 -10.988 429 HA ASP 64 HA ASP 64 13.040 -8.828 -11.372 430 1HB ASP 64 HB2 ASP 64 11.601 -10.770 -10.829 431 2HB ASP 64 HB1 ASP 64 10.742 -10.537 -12.348 432 H GLU 65 HN GLU 65 14.108 -8.810 -13.343 433 HA GLU 65 HA GLU 65 13.231 -6.960 -15.263 434 1HB GLU 65 HB2 GLU 65 15.486 -8.870 -15.017 435 2HB GLU 65 HB1 GLU 65 15.097 -8.333 -16.646 436 1HG GLU 65 HG2 GLU 65 15.094 -5.983 -15.269 437 2HG GLU 65 HG1 GLU 65 16.354 -6.894 -14.438 438 H LYS 66 HN LYS 66 13.532 -10.510 -15.533 439 HA LYS 66 HA LYS 66 12.413 -10.814 -18.046 440 1HB LYS 66 HB2 LYS 66 12.875 -12.528 -15.717 441 2HB LYS 66 HB1 LYS 66 11.528 -13.049 -16.722 442 1HG LYS 66 HG2 LYS 66 14.313 -12.502 -17.724 443 2HG LYS 66 HG1 LYS 66 13.660 -14.094 -17.348 444 1HD LYS 66 HD2 LYS 66 12.147 -14.029 -19.125 445 2HD LYS 66 HD1 LYS 66 12.281 -12.277 -19.289 446 1HE LYS 66 HE2 LYS 66 14.782 -13.782 -19.666 447 2HE LYS 66 HE1 LYS 66 13.542 -14.059 -20.888 448 1HZ LYS 66 HZ1 LYS 66 15.282 -12.059 -20.997 449 2HZ LYS 66 HZ2 LYS 66 14.027 -11.286 -20.168 450 3HZ LYS 66 HZ3 LYS 66 13.738 -11.977 -21.684 451 H GLN 67 HN GLN 67 10.674 -11.455 -15.000 452 HA GLN 67 HA GLN 67 8.161 -10.816 -16.349 453 1HB GLN 67 HB2 GLN 67 8.533 -11.961 -13.581 454 2HB GLN 67 HB1 GLN 67 7.074 -11.961 -14.556 455 1HG GLN 67 HG2 GLN 67 7.782 -13.682 -15.877 456 2HG GLN 67 HG1 GLN 67 9.487 -13.335 -15.610 457 1HE2 GLN 67 HE21 GLN 67 10.529 -14.225 -13.879 458 2HE2 GLN 67 HE22 GLN 67 9.819 -15.420 -12.853 459 H GLN 68 HN GLN 68 7.249 -8.884 -16.056 460 HA GLN 68 HA GLN 68 8.349 -7.058 -14.108 461 1HB GLN 68 HB2 GLN 68 6.543 -6.858 -16.449 462 2HB GLN 68 HB1 GLN 68 6.320 -5.658 -15.183 463 1HG GLN 68 HG2 GLN 68 7.850 -4.559 -16.430 464 2HG GLN 68 HG1 GLN 68 8.956 -5.481 -15.412 465 1HE2 GLN 68 HE21 GLN 68 10.595 -6.205 -16.548 466 2HE2 GLN 68 HE22 GLN 68 10.526 -6.847 -18.150 467 H HIS 69 HN HIS 69 5.666 -9.194 -14.309 468 HA HIS 69 HA HIS 69 4.190 -7.801 -12.221 469 1HB HIS 69 HB2 HIS 69 2.405 -9.313 -12.640 470 2HB HIS 69 HB1 HIS 69 3.062 -8.884 -14.215 471 HD1 HIS 69 HD1 HIS 69 4.797 -10.748 -15.222 472 HD2 HIS 69 HD2 HIS 69 2.207 -11.987 -12.218 473 HE1 HIS 69 HE1 HIS 69 4.761 -13.258 -15.359 474 HE2 HIS 69 HE2 HIS 69 3.125 -13.982 -13.585 475 H ILE 70 HN ILE 70 6.869 -9.398 -12.004 476 HA ILE 70 HA ILE 70 6.048 -11.023 -9.687 477 HB ILE 70 HB ILE 70 8.522 -11.387 -11.381 478 1HG1 ILE 70 HG12 ILE 70 6.583 -12.050 -12.655 479 2HG1 ILE 70 HG11 ILE 70 7.408 -13.500 -12.094 480 1HG2 ILE 70 HG21 ILE 70 7.701 -12.419 -8.788 481 2HG2 ILE 70 HG22 ILE 70 9.282 -12.444 -9.570 482 3HG2 ILE 70 HG23 ILE 70 8.095 -13.695 -9.940 483 1HD1 ILE 70 HD11 ILE 70 5.766 -13.757 -10.320 484 2HD1 ILE 70 HD12 ILE 70 4.998 -13.712 -11.907 485 3HD1 ILE 70 HD13 ILE 70 4.946 -12.292 -10.861 486 H VAL 71 HN VAL 71 6.943 -10.602 -7.760 487 HA VAL 71 HA VAL 71 9.136 -8.637 -7.650 488 HB VAL 71 HB VAL 71 6.831 -8.769 -5.705 489 1HG1 VAL 71 HG11 VAL 71 8.360 -6.314 -5.788 490 2HG1 VAL 71 HG12 VAL 71 9.379 -7.703 -5.405 491 3HG1 VAL 71 HG13 VAL 71 7.961 -7.348 -4.417 492 1HG2 VAL 71 HG21 VAL 71 6.558 -6.364 -6.868 493 2HG2 VAL 71 HG22 VAL 71 5.713 -7.809 -7.423 494 3HG2 VAL 71 HG23 VAL 71 7.190 -7.284 -8.235 495 H HIS 72 HN HIS 72 10.813 -9.970 -7.117 496 HA HIS 72 HA HIS 72 10.515 -11.467 -4.602 497 1HB HIS 72 HB2 HIS 72 11.874 -13.264 -5.447 498 2HB HIS 72 HB1 HIS 72 10.560 -12.987 -6.583 499 HD1 HIS 72 HD1 HIS 72 11.420 -11.156 -8.596 500 HD2 HIS 72 HD2 HIS 72 14.206 -13.616 -6.737 501 HE1 HIS 72 HE1 HIS 72 13.392 -11.237 -10.154 502 HE2 HIS 72 HE2 HIS 72 15.035 -12.790 -9.043 503 H CYS 73 HN CYS 73 11.517 -10.076 -3.261 504 HA CYS 73 HA CYS 73 14.365 -9.577 -3.780 505 1HB CYS 73 HB2 CYS 73 12.308 -7.603 -3.590 506 2HB CYS 73 HB1 CYS 73 13.343 -7.456 -2.172 507 HG CYS 73 HG CYS 73 14.088 -6.124 -4.501 508 H SER 74 HN SER 74 15.270 -10.974 -2.370 509 HA SER 74 HA SER 74 14.160 -11.740 0.087 510 1HB SER 74 HB2 SER 74 17.112 -11.786 -0.535 511 2HB SER 74 HB1 SER 74 16.211 -12.872 0.523 512 HG SER 74 HG SER 74 15.588 -14.000 -1.154 513 H ASN 75 HN ASN 75 16.694 -9.319 -0.586 514 HA ASN 75 HA ASN 75 16.495 -8.529 2.225 515 1HB ASN 75 HB2 ASN 75 18.724 -8.777 0.919 516 2HB ASN 75 HB1 ASN 75 18.296 -7.232 0.191 517 1HD2 ASN 75 HD21 ASN 75 20.515 -7.038 1.410 518 2HD2 ASN 75 HD22 ASN 75 20.395 -6.335 2.983 519 H ASP 76 HN ASP 76 14.519 -7.566 2.306 520 HA ASP 76 HA ASP 76 14.424 -4.844 1.393 521 1HB ASP 76 HB2 ASP 76 13.389 -6.725 -0.362 522 2HB ASP 76 HB1 ASP 76 11.968 -6.121 0.484 523 HA PRO 77 HA PRO 77 12.214 -4.500 5.212 524 1HB PRO 77 HB2 PRO 77 10.790 -2.220 3.997 525 2HB PRO 77 HB1 PRO 77 11.814 -2.275 5.429 526 1HG PRO 77 HG2 PRO 77 12.588 -1.141 3.095 527 2HG PRO 77 HG1 PRO 77 13.713 -1.851 4.262 528 1HD PRO 77 HD2 PRO 77 12.814 -2.878 1.641 529 2HD PRO 77 HD1 PRO 77 14.315 -3.179 2.531 530 H LEU 78 HN LEU 78 10.656 -4.587 2.093 531 HA LEU 78 HA LEU 78 7.992 -4.918 3.089 532 1HB LEU 78 HB2 LEU 78 8.890 -4.144 0.728 533 2HB LEU 78 HB1 LEU 78 8.810 -5.860 0.378 534 HG LEU 78 HG LEU 78 6.376 -5.741 1.163 535 1HD1 LEU 78 HD11 LEU 78 6.672 -3.495 2.236 536 2HD1 LEU 78 HD12 LEU 78 5.291 -3.628 1.148 537 3HD1 LEU 78 HD13 LEU 78 6.758 -2.807 0.615 538 1HD2 LEU 78 HD21 LEU 78 5.706 -4.639 -1.064 539 2HD2 LEU 78 HD22 LEU 78 6.708 -6.090 -1.115 540 3HD2 LEU 78 HD23 LEU 78 7.442 -4.504 -1.350 541 H GLY 79 HN GLY 79 10.451 -7.101 1.732 542 1HA GLY 79 HA2 GLY 79 8.976 -9.473 1.861 543 2HA GLY 79 HA1 GLY 79 10.730 -9.371 1.929 544 H GLU 80 HN GLU 80 10.818 -7.789 4.335 545 HA GLU 80 HA GLU 80 10.611 -9.922 6.243 546 1HB GLU 80 HB2 GLU 80 11.870 -8.592 7.665 547 2HB GLU 80 HB1 GLU 80 12.390 -8.021 6.087 548 1HG GLU 80 HG2 GLU 80 11.984 -5.986 6.877 549 2HG GLU 80 HG1 GLU 80 10.281 -6.370 6.636 550 H LEU 81 HN LEU 81 8.684 -7.214 5.296 551 HA LEU 81 HA LEU 81 7.098 -7.127 7.694 552 1HB LEU 81 HB2 LEU 81 7.436 -5.125 6.333 553 2HB LEU 81 HB1 LEU 81 6.665 -5.905 4.968 554 HG LEU 81 HG LEU 81 4.540 -5.976 6.223 555 1HD1 LEU 81 HD11 LEU 81 6.057 -5.675 8.455 556 2HD1 LEU 81 HD12 LEU 81 4.318 -5.394 8.377 557 3HD1 LEU 81 HD13 LEU 81 5.437 -4.040 8.232 558 1HD2 LEU 81 HD21 LEU 81 5.351 -4.025 4.749 559 2HD2 LEU 81 HD22 LEU 81 5.552 -3.156 6.270 560 3HD2 LEU 81 HD23 LEU 81 3.962 -3.761 5.805 561 H PHE 82 HN PHE 82 6.308 -7.912 4.306 562 HA PHE 82 HA PHE 82 3.820 -9.089 4.877 563 1HB PHE 82 HB2 PHE 82 5.678 -9.478 2.523 564 2HB PHE 82 HB1 PHE 82 4.037 -10.103 2.593 565 HD1 PHE 82 HD1 PHE 82 3.971 -7.066 4.289 566 HD2 PHE 82 HD2 PHE 82 4.263 -8.661 0.352 567 HE1 PHE 82 HE1 PHE 82 3.126 -4.948 3.372 568 HE2 PHE 82 HE2 PHE 82 3.419 -6.543 -0.570 569 HZ PHE 82 HZ PHE 82 2.850 -4.683 0.940 570 H GLY 83 HN GLY 83 7.061 -10.334 5.012 571 1HA GLY 83 HA2 GLY 83 7.710 -12.257 6.185 572 2HA GLY 83 HA1 GLY 83 6.041 -12.806 6.165 573 H VAL 84 HN VAL 84 7.802 -11.737 3.321 574 HA VAL 84 HA VAL 84 8.316 -14.463 2.464 575 HB VAL 84 HB VAL 84 7.136 -14.059 0.267 576 1HG1 VAL 84 HG11 VAL 84 6.231 -15.599 1.885 577 2HG1 VAL 84 HG12 VAL 84 4.912 -14.677 1.163 578 3HG1 VAL 84 HG13 VAL 84 5.487 -14.276 2.782 579 1HG2 VAL 84 HG21 VAL 84 5.292 -12.168 1.580 580 2HG2 VAL 84 HG22 VAL 84 5.809 -12.269 -0.103 581 3HG2 VAL 84 HG23 VAL 84 6.857 -11.515 1.097 582 H GLN 85 HN GLN 85 9.419 -14.499 0.304 583 HA GLN 85 HA GLN 85 10.922 -12.012 -0.177 584 1HB GLN 85 HB2 GLN 85 12.133 -14.768 -0.356 585 2HB GLN 85 HB1 GLN 85 12.964 -13.221 -0.413 586 1HG GLN 85 HG2 GLN 85 11.415 -14.011 2.015 587 2HG GLN 85 HG1 GLN 85 13.041 -14.637 1.746 588 1HE2 GLN 85 HE21 GLN 85 14.720 -13.415 2.305 589 2HE2 GLN 85 HE22 GLN 85 14.633 -11.761 2.796 590 H GLU 86 HN GLU 86 8.596 -13.420 -1.519 591 HA GLU 86 HA GLU 86 9.148 -12.763 -4.154 592 1HB GLU 86 HB2 GLU 86 9.223 -15.099 -5.146 593 2HB GLU 86 HB1 GLU 86 10.694 -14.548 -4.355 594 1HG GLU 86 HG2 GLU 86 9.362 -15.789 -2.314 595 2HG GLU 86 HG1 GLU 86 8.935 -16.780 -3.708 596 H PHE 87 HN PHE 87 7.217 -12.415 -5.033 597 HA PHE 87 HA PHE 87 5.067 -14.297 -4.792 598 1HB PHE 87 HB2 PHE 87 3.497 -12.895 -3.609 599 2HB PHE 87 HB1 PHE 87 4.939 -13.084 -2.617 600 HD1 PHE 87 HD1 PHE 87 2.880 -10.769 -4.523 601 HD2 PHE 87 HD2 PHE 87 6.475 -11.215 -2.290 602 HE1 PHE 87 HE1 PHE 87 3.072 -8.321 -4.353 603 HE2 PHE 87 HE2 PHE 87 6.674 -8.769 -2.114 604 HZ PHE 87 HZ PHE 87 4.971 -7.319 -3.146 605 H SER 88 HN SER 88 3.381 -13.908 -6.243 606 HA SER 88 HA SER 88 4.052 -12.005 -8.353 607 1HB SER 88 HB2 SER 88 2.073 -13.259 -9.500 608 2HB SER 88 HB1 SER 88 3.615 -14.093 -9.308 609 HG SER 88 HG SER 88 2.783 -15.236 -7.612 610 H VAL 89 HN VAL 89 3.015 -10.130 -8.586 611 HA VAL 89 HA VAL 89 1.019 -9.310 -6.758 612 HB VAL 89 HB VAL 89 0.834 -7.275 -8.166 613 1HG1 VAL 89 HG11 VAL 89 2.836 -8.038 -6.501 614 2HG1 VAL 89 HG12 VAL 89 2.668 -6.428 -7.195 615 3HG1 VAL 89 HG13 VAL 89 3.741 -7.603 -7.951 616 1HG2 VAL 89 HG21 VAL 89 2.028 -6.975 -10.143 617 2HG2 VAL 89 HG22 VAL 89 1.370 -8.603 -10.303 618 3HG2 VAL 89 HG23 VAL 89 3.058 -8.375 -9.847 619 H LYS 90 HN LYS 90 0.778 -11.179 -9.558 620 HA LYS 90 HA LYS 90 -1.534 -10.357 -10.809 621 1HB LYS 90 HB2 LYS 90 0.038 -12.360 -11.309 622 2HB LYS 90 HB1 LYS 90 -1.037 -13.267 -10.254 623 1HG LYS 90 HG2 LYS 90 -2.794 -13.164 -11.723 624 2HG LYS 90 HG1 LYS 90 -2.209 -11.684 -12.486 625 1HD LYS 90 HD2 LYS 90 -1.732 -13.220 -14.124 626 2HD LYS 90 HD1 LYS 90 -0.216 -13.232 -13.219 627 1HE LYS 90 HE2 LYS 90 -1.219 -15.160 -11.889 628 2HE LYS 90 HE1 LYS 90 -2.454 -15.236 -13.145 629 1HZ LYS 90 HZ1 LYS 90 -0.304 -15.261 -14.659 630 2HZ LYS 90 HZ2 LYS 90 -0.963 -16.679 -14.014 631 3HZ LYS 90 HZ3 LYS 90 0.371 -15.953 -13.270 632 H GLU 91 HN GLU 91 -1.145 -11.821 -7.684 633 HA GLU 91 HA GLU 91 -4.017 -12.271 -7.404 634 1HB GLU 91 HB2 GLU 91 -1.666 -12.924 -5.624 635 2HB GLU 91 HB1 GLU 91 -3.337 -13.184 -5.144 636 1HG GLU 91 HG2 GLU 91 -2.392 -14.351 -7.710 637 2HG GLU 91 HG1 GLU 91 -1.901 -15.108 -6.195 638 H HIS 92 HN HIS 92 -4.231 -9.856 -7.656 639 HA HIS 92 HA HIS 92 -3.351 -7.978 -5.833 640 1HB HIS 92 HB2 HIS 92 -5.905 -8.160 -7.422 641 2HB HIS 92 HB1 HIS 92 -5.528 -6.763 -6.420 642 HD1 HIS 92 HD1 HIS 92 -5.842 -6.332 -9.394 643 HD2 HIS 92 HD2 HIS 92 -2.199 -7.242 -7.610 644 HE1 HIS 92 HE1 HIS 92 -4.085 -5.502 -10.990 645 HE2 HIS 92 HE2 HIS 92 -1.892 -5.977 -9.844 646 H ARG 93 HN ARG 93 -5.820 -10.401 -5.456 647 HA ARG 93 HA ARG 93 -7.143 -9.256 -3.225 648 1HB ARG 93 HB2 ARG 93 -8.066 -11.077 -4.674 649 2HB ARG 93 HB1 ARG 93 -6.920 -12.186 -3.932 650 1HG ARG 93 HG2 ARG 93 -8.106 -12.351 -2.026 651 2HG ARG 93 HG1 ARG 93 -8.611 -10.660 -2.066 652 1HD ARG 93 HD2 ARG 93 -9.813 -11.999 -4.267 653 2HD ARG 93 HD1 ARG 93 -10.081 -12.971 -2.821 654 HE ARG 93 HE ARG 93 -10.646 -10.179 -2.451 655 1HH1 ARG 93 HH11 ARG 93 -11.938 -13.238 -3.526 656 2HH1 ARG 93 HH12 ARG 93 -13.585 -12.784 -3.243 657 1HH2 ARG 93 HH21 ARG 93 -12.812 -9.580 -2.079 658 2HH2 ARG 93 HH22 ARG 93 -14.081 -10.707 -2.422 659 H ARG 94 HN ARG 94 -4.283 -11.230 -3.590 660 HA ARG 94 HA ARG 94 -4.039 -11.993 -0.865 661 1HB ARG 94 HB2 ARG 94 -2.572 -12.371 -3.309 662 2HB ARG 94 HB1 ARG 94 -1.464 -11.913 -2.023 663 1HG ARG 94 HG2 ARG 94 -2.420 -13.736 -0.631 664 2HG ARG 94 HG1 ARG 94 -3.375 -14.237 -2.028 665 1HD ARG 94 HD2 ARG 94 -1.252 -14.495 -3.303 666 2HD ARG 94 HD1 ARG 94 -0.369 -14.154 -1.816 667 HE ARG 94 HE ARG 94 -2.035 -16.220 -1.171 668 1HH1 ARG 94 HH11 ARG 94 0.417 -15.699 -3.599 669 2HH1 ARG 94 HH12 ARG 94 0.866 -17.369 -3.682 670 1HH2 ARG 94 HH21 ARG 94 -1.446 -18.416 -1.279 671 2HH2 ARG 94 HH22 ARG 94 -0.191 -18.912 -2.366 672 H ILE 95 HN ILE 95 -2.224 -9.585 -2.776 673 HA ILE 95 HA ILE 95 -0.747 -8.461 -0.731 674 HB ILE 95 HB ILE 95 -1.917 -7.008 -3.110 675 1HG1 ILE 95 HG12 ILE 95 0.865 -7.667 -3.360 676 2HG1 ILE 95 HG11 ILE 95 -0.037 -9.129 -2.977 677 1HG2 ILE 95 HG21 ILE 95 -1.055 -5.520 -1.336 678 2HG2 ILE 95 HG22 ILE 95 -0.127 -5.415 -2.832 679 3HG2 ILE 95 HG23 ILE 95 0.511 -6.321 -1.460 680 1HD1 ILE 95 HD11 ILE 95 -0.807 -9.261 -5.044 681 2HD1 ILE 95 HD12 ILE 95 0.266 -7.926 -5.466 682 3HD1 ILE 95 HD13 ILE 95 -1.402 -7.602 -4.990 683 H TYR 96 HN TYR 96 -3.922 -7.343 -1.928 684 HA TYR 96 HA TYR 96 -4.335 -5.226 -0.207 685 1HB TYR 96 HB2 TYR 96 -5.806 -6.072 -2.140 686 2HB TYR 96 HB1 TYR 96 -6.546 -7.135 -0.948 687 HD1 TYR 96 HD1 TYR 96 -7.912 -6.218 0.857 688 HD2 TYR 96 HD2 TYR 96 -6.210 -3.690 -2.111 689 HE1 TYR 96 HE1 TYR 96 -9.436 -4.411 1.533 690 HE2 TYR 96 HE2 TYR 96 -7.729 -1.874 -1.441 691 HH TYR 96 HH TYR 96 -9.853 -1.569 -0.320 692 H ALA 97 HN ALA 97 -4.772 -8.668 0.383 693 HA ALA 97 HA ALA 97 -5.951 -8.308 2.976 694 1HB ALA 97 HB1 ALA 97 -4.678 -10.892 2.376 695 2HB ALA 97 HB2 ALA 97 -5.915 -10.374 1.231 696 3HB ALA 97 HB3 ALA 97 -6.309 -10.532 2.942 697 H MET 98 HN MET 98 -2.737 -9.021 1.711 698 HA MET 98 HA MET 98 -1.443 -9.574 4.135 699 1HB MET 98 HB2 MET 98 -0.387 -8.366 1.571 700 2HB MET 98 HB1 MET 98 0.638 -8.854 2.912 701 1HG MET 98 HG2 MET 98 -0.559 -11.148 2.633 702 2HG MET 98 HG1 MET 98 -0.934 -10.537 1.023 703 1HE MET 98 HE1 MET 98 0.605 -10.314 -0.862 704 2HE MET 98 HE2 MET 98 2.366 -10.386 -0.808 705 3HE MET 98 HE3 MET 98 1.517 -9.013 -0.097 706 H ILE 99 HN ILE 99 -1.275 -6.534 2.275 707 HA ILE 99 HA ILE 99 -0.104 -4.978 4.261 708 HB ILE 99 HB ILE 99 -1.156 -3.019 3.060 709 1HG1 ILE 99 HG12 ILE 99 -1.935 -4.224 0.668 710 2HG1 ILE 99 HG11 ILE 99 -2.704 -5.202 1.914 711 1HG2 ILE 99 HG21 ILE 99 0.529 -5.087 1.708 712 2HG2 ILE 99 HG22 ILE 99 0.998 -3.523 2.377 713 3HG2 ILE 99 HG23 ILE 99 0.088 -3.600 0.868 714 1HD1 ILE 99 HD11 ILE 99 -3.277 -2.477 1.038 715 2HD1 ILE 99 HD12 ILE 99 -3.249 -2.693 2.788 716 3HD1 ILE 99 HD13 ILE 99 -4.325 -3.677 1.795 717 H SER 100 HN SER 100 -3.403 -5.995 3.855 718 HA SER 100 HA SER 100 -4.672 -4.068 5.468 719 1HB SER 100 HB2 SER 100 -5.352 -6.756 4.409 720 2HB SER 100 HB1 SER 100 -6.273 -6.209 5.810 721 HG SER 100 HG SER 100 -7.403 -5.270 4.279 722 H ARG 101 HN ARG 101 -3.045 -7.094 6.209 723 HA ARG 101 HA ARG 101 -3.819 -7.100 8.973 724 1HB ARG 101 HB2 ARG 101 -1.570 -8.635 7.665 725 2HB ARG 101 HB1 ARG 101 -2.350 -9.003 9.197 726 1HG ARG 101 HG2 ARG 101 -4.159 -9.947 8.211 727 2HG ARG 101 HG1 ARG 101 -4.079 -8.892 6.798 728 1HD ARG 101 HD2 ARG 101 -3.266 -10.681 5.730 729 2HD ARG 101 HD1 ARG 101 -1.762 -10.333 6.581 730 HE ARG 101 HE ARG 101 -3.592 -12.508 7.086 731 1HH1 ARG 101 HH11 ARG 101 -0.989 -10.564 8.369 732 2HH1 ARG 101 HH12 ARG 101 -0.504 -11.758 9.525 733 1HH2 ARG 101 HH21 ARG 101 -2.951 -14.076 8.606 734 2HH2 ARG 101 HH22 ARG 101 -1.615 -13.750 9.660 735 H ASN 102 HN ASN 102 -1.487 -5.425 7.163 736 HA ASN 102 HA ASN 102 0.311 -5.071 9.436 737 1HB ASN 102 HB2 ASN 102 0.524 -4.011 6.610 738 2HB ASN 102 HB1 ASN 102 1.769 -3.904 7.851 739 1HD2 ASN 102 HD21 ASN 102 2.364 -5.033 5.468 740 2HD2 ASN 102 HD22 ASN 102 2.574 -6.739 5.648 741 H LEU 103 HN LEU 103 -2.424 -3.965 9.427 742 HA LEU 103 HA LEU 103 -1.777 -1.093 9.555 743 1HB LEU 103 HB2 LEU 103 -4.585 -2.120 9.472 744 2HB LEU 103 HB1 LEU 103 -3.965 -0.556 8.980 745 HG LEU 103 HG LEU 103 -3.332 -3.085 7.474 746 1HD1 LEU 103 HD11 LEU 103 -5.125 -1.814 5.909 747 2HD1 LEU 103 HD12 LEU 103 -5.785 -1.463 7.506 748 3HD1 LEU 103 HD13 LEU 103 -5.532 -3.134 7.005 749 1HD2 LEU 103 HD21 LEU 103 -3.203 -1.158 5.664 750 2HD2 LEU 103 HD22 LEU 103 -1.834 -1.548 6.706 751 3HD2 LEU 103 HD23 LEU 103 -2.873 -0.176 7.092 752 H VAL 104 HN VAL 104 -1.394 -0.485 11.587 753 HA VAL 104 HA VAL 104 -2.007 -1.916 13.875 754 HB VAL 104 HB VAL 104 -1.800 0.341 15.094 755 1HG1 VAL 104 HG11 VAL 104 0.483 -0.538 13.334 756 2HG1 VAL 104 HG12 VAL 104 -0.012 -1.350 14.820 757 3HG1 VAL 104 HG13 VAL 104 0.595 0.305 14.879 758 1HG2 VAL 104 HG21 VAL 104 -0.425 1.902 13.430 759 2HG2 VAL 104 HG22 VAL 104 -2.168 2.073 13.651 760 3HG2 VAL 104 HG23 VAL 104 -1.533 1.186 12.265 761 H SER 105 HN SER 105 -3.660 1.147 13.036 762 HA SER 105 HA SER 105 -6.040 0.104 14.402 763 1HB SER 105 HB2 SER 105 -4.823 2.804 14.193 764 2HB SER 105 HB1 SER 105 -6.585 2.729 14.193 765 HG SER 105 HG SER 105 -4.921 2.508 16.257 766 H ALA 106 HN ALA 106 -8.137 0.714 13.518 767 HA ALA 106 HA ALA 106 -8.066 0.900 10.575 768 1HB ALA 106 HB1 ALA 106 -10.505 -0.138 11.876 769 2HB ALA 106 HB2 ALA 106 -9.071 -1.159 11.989 770 3HB ALA 106 HB3 ALA 106 -9.684 -0.671 10.409 771 H ASN 107 HN ASN 107 -8.219 3.119 10.376 772 HA ASN 107 HA ASN 107 -10.172 4.630 11.847 773 1HB ASN 107 HB2 ASN 107 -7.835 5.232 10.436 774 2HB ASN 107 HB1 ASN 107 -9.124 5.994 9.509 775 1HD2 ASN 107 HD21 ASN 107 -7.349 5.971 12.467 776 2HD2 ASN 107 HD22 ASN 107 -7.996 7.435 13.115 777 H VAL 108 HN VAL 108 -12.017 5.638 11.052 778 HA VAL 108 HA VAL 108 -12.995 4.648 8.459 779 HB VAL 108 HB VAL 108 -14.035 3.598 10.595 780 1HG1 VAL 108 HG11 VAL 108 -15.578 6.186 10.510 781 2HG1 VAL 108 HG12 VAL 108 -14.396 5.757 11.747 782 3HG1 VAL 108 HG13 VAL 108 -15.875 4.811 11.575 783 1HG2 VAL 108 HG21 VAL 108 -15.881 4.787 8.532 784 2HG2 VAL 108 HG22 VAL 108 -16.132 3.316 9.471 785 3HG2 VAL 108 HG23 VAL 108 -14.856 3.379 8.255 786 H LYS 109 HN LYS 109 -14.677 5.987 7.477 787 HA LYS 109 HA LYS 109 -13.955 8.726 7.480 788 1HB LYS 109 HB2 LYS 109 -15.255 7.075 5.731 789 2HB LYS 109 HB1 LYS 109 -16.582 8.058 6.335 790 1HG LYS 109 HG2 LYS 109 -14.414 9.790 5.753 791 2HG LYS 109 HG1 LYS 109 -14.635 8.707 4.378 792 1HD LYS 109 HD2 LYS 109 -17.023 9.297 4.321 793 2HD LYS 109 HD1 LYS 109 -16.769 10.409 5.667 794 1HE LYS 109 HE2 LYS 109 -15.563 10.584 2.910 795 2HE LYS 109 HE1 LYS 109 -16.779 11.654 3.606 796 1HZ LYS 109 HZ1 LYS 109 -13.907 11.462 4.231 797 2HZ LYS 109 HZ2 LYS 109 -14.983 12.073 5.385 798 3HZ LYS 109 HZ3 LYS 109 -14.834 12.834 3.882 799 H GLU 110 HN GLU 110 -14.591 10.300 8.790 800 HA GLU 110 HA GLU 110 -17.071 9.920 10.336 801 1HB GLU 110 HB2 GLU 110 -14.433 11.153 11.046 802 2HB GLU 110 HB1 GLU 110 -15.894 11.686 11.868 803 1HG GLU 110 HG2 GLU 110 -16.224 9.083 12.190 804 2HG GLU 110 HG1 GLU 110 -14.470 9.091 12.012 805 H SER 111 HN SER 111 -18.240 11.900 10.908 806 HA SER 111 HA SER 111 -17.995 13.943 8.798 807 1HB SER 111 HB2 SER 111 -20.526 14.285 9.412 808 2HB SER 111 HB1 SER 111 -20.052 12.967 8.341 809 HG SER 111 HG SER 111 -20.758 11.609 9.770 810 H SER 112 HN SER 112 -17.017 15.654 9.683 811 HA SER 112 HA SER 112 -18.168 16.762 12.147 812 1HB SER 112 HB2 SER 112 -15.244 17.119 11.759 813 2HB SER 112 HB1 SER 112 -16.170 16.927 13.248 814 HG SER 112 HG SER 112 -15.389 14.973 13.174 815 H GLU 113 HN GLU 113 -18.917 18.726 11.742 816 HA GLU 113 HA GLU 113 -17.663 20.306 9.600 817 1HB GLU 113 HB2 GLU 113 -20.436 20.530 10.786 818 2HB GLU 113 HB1 GLU 113 -19.796 21.539 9.496 819 1HG GLU 113 HG2 GLU 113 -19.946 18.558 9.235 820 2HG GLU 113 HG1 GLU 113 -21.318 19.598 8.855 821 H ASP 114 HN ASP 114 -17.127 22.459 9.934 822 HA ASP 114 HA ASP 114 -16.898 23.234 12.761 823 1HB ASP 114 HB2 ASP 114 -15.137 24.837 11.866 824 2HB ASP 114 HB1 ASP 114 -14.740 23.123 11.781 825 H ILE 115 HN ILE 115 -17.524 25.273 13.447 826 HA ILE 115 HA ILE 115 -19.231 26.754 11.591 827 HB ILE 115 HB ILE 115 -19.380 26.652 14.601 828 1HG1 ILE 115 HG12 ILE 115 -20.125 24.575 13.519 829 2HG1 ILE 115 HG11 ILE 115 -21.471 25.445 14.236 830 1HG2 ILE 115 HG21 ILE 115 -21.718 27.731 13.810 831 2HG2 ILE 115 HG22 ILE 115 -20.641 28.380 12.573 832 3HG2 ILE 115 HG23 ILE 115 -20.309 28.684 14.278 833 1HD1 ILE 115 HD11 ILE 115 -21.667 26.430 11.796 834 2HD1 ILE 115 HD12 ILE 115 -22.402 24.893 12.250 835 3HD1 ILE 115 HD13 ILE 115 -20.860 24.914 11.395 836 H PHE 116 HN PHE 116 -17.971 28.270 10.795 837 HA PHE 116 HA PHE 116 -16.238 29.822 12.564 838 1HB PHE 116 HB2 PHE 116 -15.587 30.844 10.196 839 2HB PHE 116 HB1 PHE 116 -14.883 29.347 10.792 840 HD1 PHE 116 HD1 PHE 116 -14.472 28.010 8.966 841 HD2 PHE 116 HD2 PHE 116 -18.194 30.045 9.240 842 HE1 PHE 116 HE1 PHE 116 -15.251 26.848 6.942 843 HE2 PHE 116 HE2 PHE 116 -18.983 28.890 7.216 844 HZ PHE 116 HZ PHE 116 -17.510 27.287 6.064 845 H GLY 117 HN GLY 117 -19.254 30.034 10.989 846 1HA GLY 117 HA2 GLY 117 -20.786 31.732 10.807 847 2HA GLY 117 HA1 GLY 117 -19.941 32.470 12.158 848 H ASN 118 HN ASN 118 -18.704 31.822 8.903 849 HA ASN 118 HA ASN 118 -18.484 34.730 8.497 850 1HB ASN 118 HB2 ASN 118 -16.283 33.728 9.000 851 2HB ASN 118 HB1 ASN 118 -16.485 32.624 7.642 852 1HD2 ASN 118 HD21 ASN 118 -16.956 36.108 8.147 853 2HD2 ASN 118 HD22 ASN 118 -16.016 36.603 6.785 854 H VAL 119 HN VAL 119 -19.492 35.449 6.746 855 HA VAL 119 HA VAL 119 -19.909 33.596 4.494 856 HB VAL 119 HB VAL 119 -21.923 35.659 5.384 857 1HG1 VAL 119 HG11 VAL 119 -22.277 33.326 3.515 858 2HG1 VAL 119 HG12 VAL 119 -21.864 34.952 2.973 859 3HG1 VAL 119 HG13 VAL 119 -23.392 34.662 3.805 860 1HG2 VAL 119 HG21 VAL 119 -22.113 32.681 5.788 861 2HG2 VAL 119 HG22 VAL 119 -23.213 33.925 6.380 862 3HG2 VAL 119 HG23 VAL 119 -21.583 33.802 7.042 863 H30 IMY 120 1H30 IMY 120 2.290 -6.237 -15.565 864 1H30 IMY 120 2H30 IMY 120 2.219 -7.555 -14.330 865 2H30 IMY 120 3H30 IMY 120 3.523 -7.505 -15.523 866 H26 IMY 120 H26 IMY 120 1.060 -6.143 -13.197 867 H25 IMY 120 H25 IMY 120 0.140 -4.635 -11.539 868 H31 IMY 120 H31 IMY 120 5.961 -2.463 -11.941 869 1H32 IMY 120 1H32 IMY 120 5.859 -1.810 -8.923 870 2H32 IMY 120 2H32 IMY 120 7.281 -1.680 -9.970 871 3H32 IMY 120 3H32 IMY 120 5.911 -0.570 -10.162 872 1H33 IMY 120 1H33 IMY 120 5.452 -4.731 -11.206 873 2H33 IMY 120 2H33 IMY 120 6.955 -4.176 -10.450 874 3H33 IMY 120 3H33 IMY 120 5.437 -4.241 -9.520 875 H28 IMY 120 H28 IMY 120 4.891 -4.276 -12.866 876 H4 IMY 120 H4 IMY 120 -0.792 -1.286 -9.349 877 H3 IMY 120 H3 IMY 120 0.928 -0.483 -7.979 878 H18 IMY 120 H18 IMY 120 2.363 -4.028 -7.923 879 H17 IMY 120 H17 IMY 120 2.943 -5.184 -5.859 880 H15 IMY 120 H15 IMY 120 1.446 -1.954 -3.527 881 H14 IMY 120 H14 IMY 120 0.805 -0.737 -5.573 882 H20 IMY 120 H20 IMY 120 -2.260 -0.725 -7.354 883 H21 IMY 120 H21 IMY 120 -4.015 -1.602 -5.900 884 H23 IMY 120 H23 IMY 120 -2.619 -5.609 -6.584 885 H24 IMY 120 H24 IMY 120 -0.953 -4.777 -8.156
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