NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602689 | 2nba | 25969 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 6 HT1 HIS 6 -22.218 3.693 -4.604 2 H2 HIS 6 HT2 HIS 6 -23.351 4.905 -4.274 3 H3 HIS 6 HT3 HIS 6 -23.438 3.424 -3.462 4 HA HIS 6 HA HIS 6 -21.231 5.384 -3.234 5 HB2 HIS 6 HB2 HIS 6 -23.511 4.705 -1.368 6 HB3 HIS 6 HB1 HIS 6 -22.096 5.635 -0.884 7 HD1 HIS 6 HD1 HIS 6 -25.396 5.973 -2.394 8 HD2 HIS 6 HD2 HIS 6 -21.867 8.168 -2.316 9 HE1 HIS 6 HE1 HIS 6 -26.028 8.289 -3.143 10 HE2 HIS 6 HE2 HIS 6 -23.871 9.592 -3.123 11 H ARG 7 HN ARG 7 -19.389 4.435 -2.731 12 HA ARG 7 HA ARG 7 -19.245 2.394 -0.715 13 HB2 ARG 7 HB2 ARG 7 -19.786 1.284 -3.028 14 HB3 ARG 7 HB1 ARG 7 -18.082 1.570 -3.342 15 HG2 ARG 7 HG2 ARG 7 -18.726 0.289 -0.767 16 HG3 ARG 7 HG1 ARG 7 -19.033 -0.669 -2.215 17 HD2 ARG 7 HD2 ARG 7 -16.419 0.738 -1.851 18 HD3 ARG 7 HD1 ARG 7 -16.713 -0.792 -1.059 19 HE ARG 7 HE ARG 7 -16.687 -1.865 -3.110 20 HH11 ARG 7 HH11 ARG 7 -16.487 1.590 -3.544 21 HH12 ARG 7 HH12 ARG 7 -16.017 1.479 -5.206 22 HH21 ARG 7 HH21 ARG 7 -16.065 -2.014 -5.292 23 HH22 ARG 7 HH22 ARG 7 -15.776 -0.568 -6.199 24 H SER 8 HN SER 8 -18.052 5.000 -2.308 25 HA SER 8 HA SER 8 -15.331 4.736 -2.513 26 HB2 SER 8 HB2 SER 8 -16.866 7.110 -1.421 27 HB3 SER 8 HB1 SER 8 -15.172 7.159 -1.920 28 HG SER 8 HG SER 8 -15.863 6.573 -4.023 29 H ALA 9 HN ALA 9 -14.342 3.445 -1.062 30 HA ALA 9 HA ALA 9 -14.740 3.415 1.700 31 HB1 ALA 9 HB1 ALA 9 -13.651 1.623 0.413 32 HB2 ALA 9 HB2 ALA 9 -12.694 2.133 1.809 33 HB3 ALA 9 HB3 ALA 9 -12.242 2.667 0.190 34 H ASN 10 HN ASN 10 -12.671 3.786 3.173 35 HA ASN 10 HA ASN 10 -12.300 6.633 3.214 36 HB2 ASN 10 HB2 ASN 10 -11.246 4.438 5.007 37 HB3 ASN 10 HB1 ASN 10 -10.997 6.158 5.298 38 HD21 ASN 10 HD21 ASN 10 -12.731 7.437 5.919 39 HD22 ASN 10 HD22 ASN 10 -14.206 6.762 6.513 40 H LEU 11 HN LEU 11 -11.133 5.523 0.892 41 HA LEU 11 HA LEU 11 -8.400 4.978 1.052 42 HB2 LEU 11 HB2 LEU 11 -9.672 6.603 -1.134 43 HB3 LEU 11 HB1 LEU 11 -8.262 5.585 -1.236 44 HG LEU 11 HG LEU 11 -10.845 4.320 -0.546 45 HD11 LEU 11 HD11 LEU 11 -10.050 5.139 -3.326 46 HD12 LEU 11 HD12 LEU 11 -11.371 5.842 -2.385 47 HD13 LEU 11 HD13 LEU 11 -11.448 4.151 -2.890 48 HD21 LEU 11 HD21 LEU 11 -8.638 3.109 -0.661 49 HD22 LEU 11 HD22 LEU 11 -8.657 3.417 -2.399 50 HD23 LEU 11 HD23 LEU 11 -9.928 2.438 -1.660 51 H ARG 12 HN ARG 12 -10.159 7.846 1.462 52 HA ARG 12 HA ARG 12 -8.231 9.768 0.777 53 HB2 ARG 12 HB2 ARG 12 -10.021 10.557 2.950 54 HB3 ARG 12 HB1 ARG 12 -9.816 11.260 1.354 55 HG2 ARG 12 HG2 ARG 12 -11.518 8.877 2.060 56 HG3 ARG 12 HG1 ARG 12 -12.084 10.491 1.633 57 HD2 ARG 12 HD2 ARG 12 -10.554 8.609 -0.170 58 HD3 ARG 12 HD1 ARG 12 -12.290 8.935 -0.254 59 HE ARG 12 HE ARG 12 -10.667 11.299 -0.480 60 HH11 ARG 12 HH11 ARG 12 -12.065 8.622 -2.219 61 HH12 ARG 12 HH12 ARG 12 -12.064 9.446 -3.743 62 HH21 ARG 12 HH21 ARG 12 -10.662 12.389 -2.482 63 HH22 ARG 12 HH22 ARG 12 -11.267 11.585 -3.891 64 H ALA 13 HN ALA 13 -8.996 8.167 3.819 65 HA ALA 13 HA ALA 13 -7.090 9.571 5.386 66 HB1 ALA 13 HB1 ALA 13 -8.985 8.260 6.317 67 HB2 ALA 13 HB2 ALA 13 -7.425 7.856 7.033 68 HB3 ALA 13 HB3 ALA 13 -8.145 6.786 5.829 69 H ALA 14 HN ALA 14 -7.053 6.696 3.450 70 HA ALA 14 HA ALA 14 -4.458 5.810 4.208 71 HB1 ALA 14 HB1 ALA 14 -5.890 5.140 1.649 72 HB2 ALA 14 HB2 ALA 14 -6.370 4.458 3.213 73 HB3 ALA 14 HB3 ALA 14 -4.757 4.148 2.571 74 H HIS 15 HN HIS 15 -5.775 7.737 1.606 75 HA HIS 15 HA HIS 15 -3.673 7.925 -0.113 76 HB2 HIS 15 HB2 HIS 15 -6.030 9.471 0.551 77 HB3 HIS 15 HB1 HIS 15 -4.699 10.531 0.126 78 HD1 HIS 15 HD1 HIS 15 -3.416 9.550 -2.202 79 HD2 HIS 15 HD2 HIS 15 -7.461 8.789 -1.626 80 HE1 HIS 15 HE1 HIS 15 -4.341 9.051 -4.477 81 HE2 HIS 15 HE2 HIS 15 -6.815 8.876 -4.130 82 H ALA 16 HN ALA 16 -4.142 9.359 3.033 83 HA ALA 16 HA ALA 16 -1.752 10.986 2.866 84 HB1 ALA 16 HB1 ALA 16 -3.585 10.487 5.210 85 HB2 ALA 16 HB2 ALA 16 -3.705 11.836 4.078 86 HB3 ALA 16 HB3 ALA 16 -2.296 11.689 5.131 87 H ALA 17 HN ALA 17 -2.715 7.864 4.065 88 HA ALA 17 HA ALA 17 -0.459 7.487 5.796 89 HB1 ALA 17 HB1 ALA 17 -1.142 5.121 5.792 90 HB2 ALA 17 HB2 ALA 17 -2.378 5.514 4.587 91 HB3 ALA 17 HB3 ALA 17 -2.459 6.224 6.200 92 H LEU 18 HN LEU 18 -1.334 5.945 2.674 93 HA LEU 18 HA LEU 18 1.169 4.808 2.176 94 HB2 LEU 18 HB2 LEU 18 -0.823 5.878 0.169 95 HB3 LEU 18 HB1 LEU 18 0.508 4.807 -0.214 96 HG LEU 18 HG LEU 18 -1.050 3.199 -0.083 97 HD11 LEU 18 HD11 LEU 18 -0.893 3.719 2.870 98 HD12 LEU 18 HD12 LEU 18 0.256 2.765 1.930 99 HD13 LEU 18 HD13 LEU 18 -1.416 2.227 2.089 100 HD21 LEU 18 HD21 LEU 18 -3.239 3.546 0.557 101 HD22 LEU 18 HD22 LEU 18 -2.685 5.152 0.062 102 HD23 LEU 18 HD23 LEU 18 -2.794 4.741 1.779 103 H LEU 19 HN LEU 19 -0.007 8.024 1.932 104 HA LEU 19 HA LEU 19 2.193 9.080 0.401 105 HB2 LEU 19 HB2 LEU 19 0.192 10.337 0.297 106 HB3 LEU 19 HB1 LEU 19 -0.058 10.253 2.023 107 HG LEU 19 HG LEU 19 0.653 12.495 0.924 108 HD11 LEU 19 HD11 LEU 19 0.423 12.052 3.334 109 HD12 LEU 19 HD12 LEU 19 1.750 13.159 2.967 110 HD13 LEU 19 HD13 LEU 19 2.090 11.475 3.362 111 HD21 LEU 19 HD21 LEU 19 2.922 12.875 0.561 112 HD22 LEU 19 HD22 LEU 19 2.637 11.301 -0.187 113 HD23 LEU 19 HD23 LEU 19 3.394 11.400 1.401 114 H GLU 20 HN GLU 20 1.132 8.991 3.732 115 HA GLU 20 HA GLU 20 3.231 10.242 5.029 116 HB2 GLU 20 HB2 GLU 20 1.204 9.658 6.205 117 HB3 GLU 20 HB1 GLU 20 1.480 7.952 5.901 118 HG2 GLU 20 HG2 GLU 20 3.438 7.996 7.307 119 HG3 GLU 20 HG1 GLU 20 3.199 9.713 7.608 120 H ASN 21 HN ASN 21 2.952 7.157 3.555 121 HA ASN 21 HA ASN 21 5.425 6.129 4.655 122 HB2 ASN 21 HB2 ASN 21 4.100 4.300 4.262 123 HB3 ASN 21 HB1 ASN 21 3.237 5.069 2.936 124 HD21 ASN 21 HD21 ASN 21 4.040 4.939 0.870 125 HD22 ASN 21 HD22 ASN 21 5.307 3.850 0.434 126 H ALA 22 HN ALA 22 4.078 7.142 1.567 127 HA ALA 22 HA ALA 22 6.138 6.838 -0.167 128 HB1 ALA 22 HB1 ALA 22 3.913 7.726 -0.751 129 HB2 ALA 22 HB2 ALA 22 5.221 8.681 -1.451 130 HB3 ALA 22 HB3 ALA 22 4.361 9.271 -0.028 131 H ARG 23 HN ARG 23 5.858 9.343 2.295 132 HA ARG 23 HA ARG 23 8.157 10.805 1.351 133 HB2 ARG 23 HB2 ARG 23 7.975 12.000 3.524 134 HB3 ARG 23 HB1 ARG 23 6.466 11.994 2.623 135 HG2 ARG 23 HG2 ARG 23 5.586 10.252 4.054 136 HG3 ARG 23 HG1 ARG 23 7.126 10.147 4.910 137 HD2 ARG 23 HD2 ARG 23 6.862 12.469 5.649 138 HD3 ARG 23 HD1 ARG 23 5.314 12.556 4.809 139 HE ARG 23 HE ARG 23 5.084 10.416 6.505 140 HH11 ARG 23 HH11 ARG 23 5.818 13.804 6.860 141 HH12 ARG 23 HH12 ARG 23 5.140 13.916 8.449 142 HH21 ARG 23 HH21 ARG 23 4.191 10.554 8.600 143 HH22 ARG 23 HH22 ARG 23 4.219 12.069 9.439 144 H PHE 24 HN PHE 24 7.452 8.489 3.915 145 HA PHE 24 HA PHE 24 10.064 8.304 4.958 146 HB2 PHE 24 HB2 PHE 24 7.532 6.843 5.192 147 HB3 PHE 24 HB1 PHE 24 8.943 5.814 5.368 148 HD1 PHE 24 HD1 PHE 24 7.036 8.584 6.792 149 HD2 PHE 24 HD2 PHE 24 10.435 6.065 7.254 150 HE1 PHE 24 HE1 PHE 24 7.258 9.318 9.131 151 HE2 PHE 24 HE2 PHE 24 10.663 6.795 9.593 152 HZ PHE 24 HZ PHE 24 9.072 8.424 10.534 153 H MET 25 HN MET 25 8.539 7.170 2.127 154 HA MET 25 HA MET 25 10.425 5.088 1.480 155 HB2 MET 25 HB2 MET 25 8.350 6.527 -0.203 156 HB3 MET 25 HB1 MET 25 9.285 5.143 -0.740 157 HG2 MET 25 HG2 MET 25 7.265 5.182 1.487 158 HG3 MET 25 HG1 MET 25 7.045 4.489 -0.114 159 HE1 MET 25 HE1 MET 25 8.970 2.677 3.538 160 HE2 MET 25 HE2 MET 25 8.148 4.229 3.354 161 HE3 MET 25 HE3 MET 25 9.846 4.070 2.904 162 H GLU 26 HN GLU 26 9.613 8.318 0.372 163 HA GLU 26 HA GLU 26 11.705 8.771 -1.397 164 HB2 GLU 26 HB2 GLU 26 9.761 10.376 0.150 165 HB3 GLU 26 HB1 GLU 26 11.196 11.244 -0.338 166 HG2 GLU 26 HG2 GLU 26 9.206 9.864 -2.103 167 HG3 GLU 26 HG1 GLU 26 9.510 11.592 -1.974 168 H GLN 27 HN GLN 27 11.533 8.755 2.054 169 HA GLN 27 HA GLN 27 14.078 10.067 2.435 170 HB2 GLN 27 HB2 GLN 27 12.022 8.937 4.270 171 HB3 GLN 27 HB1 GLN 27 13.606 9.378 4.868 172 HG2 GLN 27 HG2 GLN 27 11.727 11.221 3.433 173 HG3 GLN 27 HG1 GLN 27 11.930 11.143 5.180 174 HE21 GLN 27 HE21 GLN 27 13.845 11.901 6.104 175 HE22 GLN 27 HE22 GLN 27 14.921 12.945 5.246 176 H PHE 28 HN PHE 28 12.714 6.820 2.955 177 HA PHE 28 HA PHE 28 14.953 5.562 3.968 178 HB2 PHE 28 HB2 PHE 28 12.706 4.503 3.707 179 HB3 PHE 28 HB1 PHE 28 13.032 4.344 1.987 180 HD1 PHE 28 HD2 PHE 28 13.869 3.125 5.329 181 HD2 PHE 28 HD1 PHE 28 14.597 2.699 1.158 182 HE1 PHE 28 HE2 PHE 28 14.969 0.965 5.746 183 HE2 PHE 28 HE1 PHE 28 15.695 0.533 1.564 184 HZ PHE 28 HZ PHE 28 15.885 -0.334 3.863 185 H TYR 29 HN TYR 29 14.116 6.393 0.680 186 HA TYR 29 HA TYR 29 16.403 5.146 -0.527 187 HB2 TYR 29 HB2 TYR 29 14.387 5.544 -1.850 188 HB3 TYR 29 HB1 TYR 29 14.468 7.267 -1.516 189 HD1 TYR 29 HD1 TYR 29 15.991 4.508 -3.412 190 HD2 TYR 29 HD2 TYR 29 15.946 8.709 -2.744 191 HE1 TYR 29 HE1 TYR 29 17.312 4.839 -5.456 192 HE2 TYR 29 HE2 TYR 29 17.269 9.054 -4.787 193 HH TYR 29 HH TYR 29 17.754 6.614 -7.097 194 H ALA 30 HN ALA 30 15.490 8.354 0.613 195 HA ALA 30 HA ALA 30 17.785 9.746 -0.272 196 HB1 ALA 30 HB1 ALA 30 15.854 10.998 0.334 197 HB2 ALA 30 HB2 ALA 30 17.106 11.400 1.511 198 HB3 ALA 30 HB3 ALA 30 15.812 10.280 1.943 199 H LYS 31 HN LYS 31 17.290 7.473 2.198 200 HA LYS 31 HA LYS 31 19.713 8.280 3.642 201 HB2 LYS 31 HB2 LYS 31 17.581 6.289 4.440 202 HB3 LYS 31 HB1 LYS 31 18.926 6.824 5.438 203 HG2 LYS 31 HG2 LYS 31 17.936 8.789 5.963 204 HG3 LYS 31 HG1 LYS 31 17.125 8.925 4.402 205 HD2 LYS 31 HD2 LYS 31 15.467 7.315 5.053 206 HD3 LYS 31 HD1 LYS 31 16.337 6.958 6.548 207 HE2 LYS 31 HE2 LYS 31 15.075 9.598 5.822 208 HE3 LYS 31 HE1 LYS 31 14.406 8.412 6.939 209 HZ1 LYS 31 HZ1 LYS 31 16.977 9.863 7.282 210 HZ2 LYS 31 HZ2 LYS 31 16.355 8.709 8.350 211 HZ3 LYS 31 HZ3 LYS 31 15.542 10.174 8.123 212 H LYS 32 HN LYS 32 18.285 5.796 1.689 213 HA LYS 32 HA LYS 32 20.703 4.144 1.970 214 HB2 LYS 32 HB2 LYS 32 17.824 3.481 1.654 215 HB3 LYS 32 HB1 LYS 32 18.993 2.413 0.906 216 HG2 LYS 32 HG2 LYS 32 19.415 3.176 3.737 217 HG3 LYS 32 HG1 LYS 32 18.121 2.039 3.365 218 HD2 LYS 32 HD2 LYS 32 19.714 0.589 2.216 219 HD3 LYS 32 HD1 LYS 32 21.013 1.732 2.567 220 HE2 LYS 32 HE2 LYS 32 19.367 0.245 4.610 221 HE3 LYS 32 HE1 LYS 32 21.017 -0.152 4.132 222 HZ1 LYS 32 HZ1 LYS 32 21.730 2.007 4.963 223 HZ2 LYS 32 HZ2 LYS 32 20.981 1.108 6.184 224 HZ3 LYS 32 HZ3 LYS 32 20.147 2.373 5.434 225 H GLY 33 HN GLY 33 18.152 4.002 -0.456 226 HA2 GLY 33 HA2 GLY 33 18.756 5.250 -2.629 227 HA3 GLY 33 HA1 GLY 33 20.208 4.260 -2.546 228 H SER 34 HN SER 34 18.071 2.312 -1.221 229 HA SER 34 HA SER 34 16.547 1.425 -3.481 230 HB2 SER 34 HB2 SER 34 18.854 -0.304 -2.541 231 HB3 SER 34 HB1 SER 34 17.619 -0.781 -3.707 232 HG SER 34 HG SER 34 19.854 0.295 -4.305 233 H PHE 35 HN PHE 35 15.175 -0.435 -2.934 234 HA PHE 35 HA PHE 35 14.729 -0.538 -0.040 235 HB2 PHE 35 HB2 PHE 35 12.943 -0.586 -2.382 236 HB3 PHE 35 HB1 PHE 35 12.471 -1.661 -1.065 237 HD1 PHE 35 HD1 PHE 35 13.551 1.834 -1.714 238 HD2 PHE 35 HD2 PHE 35 11.294 -0.815 0.730 239 HE1 PHE 35 HE1 PHE 35 12.665 3.756 -0.464 240 HE2 PHE 35 HE2 PHE 35 10.399 1.102 1.984 241 HZ PHE 35 HZ PHE 35 11.086 3.390 1.387 242 H LYS 36 HN LYS 36 13.548 -3.033 -2.280 243 HA LYS 36 HA LYS 36 14.462 -5.098 -0.567 244 HB2 LYS 36 HB2 LYS 36 12.783 -5.090 -2.716 245 HB3 LYS 36 HB1 LYS 36 14.230 -5.803 -3.407 246 HG2 LYS 36 HG2 LYS 36 14.244 -7.475 -1.590 247 HG3 LYS 36 HG1 LYS 36 12.693 -6.826 -1.051 248 HD2 LYS 36 HD2 LYS 36 12.423 -8.817 -2.478 249 HD3 LYS 36 HD1 LYS 36 11.681 -7.383 -3.180 250 HE2 LYS 36 HE2 LYS 36 13.626 -7.087 -4.638 251 HE3 LYS 36 HE1 LYS 36 14.360 -8.530 -3.943 252 HZ1 LYS 36 HZ1 LYS 36 12.516 -9.837 -4.783 253 HZ2 LYS 36 HZ2 LYS 36 13.273 -9.005 -6.048 254 HZ3 LYS 36 HZ3 LYS 36 11.796 -8.452 -5.438 255 H LEU 37 HN LEU 37 16.189 -6.383 -0.644 256 HA LEU 37 HA LEU 37 18.491 -5.323 -2.126 257 HB2 LEU 37 HB2 LEU 37 19.629 -6.858 -0.284 258 HB3 LEU 37 HB1 LEU 37 19.116 -5.217 0.067 259 HG LEU 37 HG LEU 37 17.015 -6.077 1.058 260 HD11 LEU 37 HD11 LEU 37 17.254 -8.668 1.510 261 HD12 LEU 37 HD12 LEU 37 18.021 -8.576 -0.075 262 HD13 LEU 37 HD13 LEU 37 16.368 -7.968 0.145 263 HD21 LEU 37 HD21 LEU 37 19.059 -5.755 2.442 264 HD22 LEU 37 HD22 LEU 37 19.441 -7.460 2.207 265 HD23 LEU 37 HD23 LEU 37 17.971 -6.996 3.063 266 H THR 38 HN THR 38 16.534 -8.125 -1.583 267 HA THR 38 HA THR 38 17.892 -9.568 -3.713 268 HB THR 38 HB THR 38 18.924 -10.218 -1.443 269 HG1 THR 38 HG1 THR 38 18.949 -12.428 -2.108 270 HG21 THR 38 HG21 THR 38 16.291 -11.688 -1.203 271 HG22 THR 38 HG22 THR 38 16.754 -10.292 -0.228 272 HG23 THR 38 HG23 THR 38 17.664 -11.800 -0.100 273 H SER 39 HN SER 39 16.620 -11.347 -4.525 274 HA SER 39 HA SER 39 13.830 -10.862 -4.514 275 HB2 SER 39 HB2 SER 39 13.665 -12.816 -5.927 276 HB3 SER 39 HB1 SER 39 15.108 -11.925 -6.402 277 HG SER 39 HG SER 39 16.275 -13.410 -4.993 278 H THR 40 HN THR 40 12.375 -11.449 -3.175 279 HA THR 40 HA THR 40 11.135 -12.677 -1.732 280 HB THR 40 HB THR 40 11.722 -14.776 -0.814 281 HG1 THR 40 HG1 THR 40 13.735 -14.961 -0.192 282 HG21 THR 40 HG21 THR 40 12.844 -14.640 -3.608 283 HG22 THR 40 HG22 THR 40 11.129 -14.741 -3.201 284 HG23 THR 40 HG23 THR 40 12.216 -16.076 -2.799 285 H LYS 41 HN LYS 41 12.403 -10.363 -1.057 286 HA LYS 41 HA LYS 41 12.944 -10.816 1.801 287 HB2 LYS 41 HB2 LYS 41 14.961 -10.075 0.452 288 HB3 LYS 41 HB1 LYS 41 14.160 -8.526 0.242 289 HG2 LYS 41 HG2 LYS 41 14.400 -9.581 2.995 290 HG3 LYS 41 HG1 LYS 41 15.860 -9.004 2.211 291 HD2 LYS 41 HD2 LYS 41 13.404 -7.492 3.001 292 HD3 LYS 41 HD1 LYS 41 15.098 -7.113 3.308 293 HE2 LYS 41 HE2 LYS 41 15.295 -6.744 0.792 294 HE3 LYS 41 HE1 LYS 41 13.536 -6.754 0.767 295 HZ1 LYS 41 HZ1 LYS 41 13.639 -4.961 2.478 296 HZ2 LYS 41 HZ2 LYS 41 14.230 -4.517 0.958 297 HZ3 LYS 41 HZ3 LYS 41 15.307 -4.868 2.213 298 H TRP 42 HN TRP 42 12.230 -9.098 3.236 299 HA TRP 42 HA TRP 42 10.079 -7.474 2.049 300 HB2 TRP 42 HB2 TRP 42 9.996 -9.374 4.311 301 HB3 TRP 42 HB1 TRP 42 9.131 -7.857 4.528 302 HD1 TRP 42 HD1 TRP 42 8.601 -8.211 1.068 303 HE1 TRP 42 HE1 TRP 42 6.462 -9.508 0.506 304 HE3 TRP 42 HE3 TRP 42 7.776 -10.447 5.597 305 HZ2 TRP 42 HZ2 TRP 42 4.662 -11.217 1.786 306 HZ3 TRP 42 HZ3 TRP 42 5.805 -11.904 5.840 307 HH2 TRP 42 HH2 TRP 42 4.279 -12.285 3.970 308 HA PRO 43 HA PRO 43 12.576 -4.368 4.338 309 HB2 PRO 43 HB2 PRO 43 11.693 -2.275 2.827 310 HB3 PRO 43 HB1 PRO 43 13.051 -3.299 2.346 311 HG2 PRO 43 HG2 PRO 43 10.186 -3.424 1.473 312 HG3 PRO 43 HG1 PRO 43 11.659 -3.548 0.492 313 HD2 PRO 43 HD2 PRO 43 10.263 -5.730 1.233 314 HD3 PRO 43 HD1 PRO 43 12.042 -5.752 1.110 315 H GLU 44 HN GLU 44 11.743 -3.564 6.200 316 HA GLU 44 HA GLU 44 9.075 -3.657 6.899 317 HB2 GLU 44 HB2 GLU 44 10.927 -3.567 8.497 318 HB3 GLU 44 HB1 GLU 44 11.188 -1.883 8.071 319 HG2 GLU 44 HG2 GLU 44 9.100 -1.234 8.978 320 HG3 GLU 44 HG1 GLU 44 8.601 -2.915 9.161 321 H LEU 45 HN LEU 45 7.366 -2.396 6.710 322 HA LEU 45 HA LEU 45 7.623 0.092 5.227 323 HB2 LEU 45 HB2 LEU 45 5.223 0.027 4.937 324 HB3 LEU 45 HB1 LEU 45 5.959 -1.468 4.415 325 HG LEU 45 HG LEU 45 3.974 -2.110 5.438 326 HD11 LEU 45 HD11 LEU 45 6.017 -2.394 7.619 327 HD12 LEU 45 HD12 LEU 45 5.816 -3.464 6.229 328 HD13 LEU 45 HD13 LEU 45 4.535 -3.338 7.437 329 HD21 LEU 45 HD21 LEU 45 4.416 0.194 7.153 330 HD22 LEU 45 HD22 LEU 45 3.760 -1.209 7.996 331 HD23 LEU 45 HD23 LEU 45 2.916 -0.549 6.592 332 HA PRO 46 HA PRO 46 7.090 2.716 8.711 333 HB2 PRO 46 HB2 PRO 46 6.098 4.936 7.520 334 HB3 PRO 46 HB1 PRO 46 7.782 4.423 7.359 335 HG2 PRO 46 HG2 PRO 46 5.508 4.089 5.456 336 HG3 PRO 46 HG1 PRO 46 7.201 4.482 5.120 337 HD2 PRO 46 HD2 PRO 46 6.128 1.991 4.810 338 HD3 PRO 46 HD1 PRO 46 7.841 2.292 5.148 339 H VAL 47 HN VAL 47 4.322 3.798 6.745 340 HA VAL 47 HA VAL 47 2.655 3.882 9.071 341 HB VAL 47 HB VAL 47 2.412 5.472 7.133 342 HG11 VAL 47 HG11 VAL 47 1.057 3.122 5.843 343 HG12 VAL 47 HG12 VAL 47 2.595 3.828 5.336 344 HG13 VAL 47 HG13 VAL 47 1.107 4.769 5.216 345 HG21 VAL 47 HG21 VAL 47 -0.073 3.959 7.913 346 HG22 VAL 47 HG22 VAL 47 -0.001 5.611 7.301 347 HG23 VAL 47 HG23 VAL 47 0.698 5.222 8.873 348 H LYS 48 HN LYS 48 1.096 2.543 9.739 349 HA LYS 48 HA LYS 48 0.585 0.122 8.149 350 HB2 LYS 48 HB2 LYS 48 0.484 0.162 11.151 351 HB3 LYS 48 HB1 LYS 48 0.611 -1.225 10.078 352 HG2 LYS 48 HG2 LYS 48 2.796 -1.216 10.420 353 HG3 LYS 48 HG1 LYS 48 2.882 0.331 9.576 354 HD2 LYS 48 HD2 LYS 48 2.409 -0.044 12.534 355 HD3 LYS 48 HD1 LYS 48 3.928 0.455 11.788 356 HE2 LYS 48 HE2 LYS 48 2.849 2.466 10.919 357 HE3 LYS 48 HE1 LYS 48 1.318 1.965 11.641 358 HZ1 LYS 48 HZ1 LYS 48 2.350 2.105 13.826 359 HZ2 LYS 48 HZ2 LYS 48 2.446 3.589 13.022 360 HZ3 LYS 48 HZ3 LYS 48 3.811 2.598 13.130 361 H GLU 49 HN GLU 49 -0.685 2.908 9.194 362 HA GLU 49 HA GLU 49 -3.378 2.074 8.785 363 HB2 GLU 49 HB2 GLU 49 -3.133 1.295 11.075 364 HB3 GLU 49 HB1 GLU 49 -2.590 2.887 11.578 365 HG2 GLU 49 HG2 GLU 49 -4.787 3.802 10.933 366 HG3 GLU 49 HG1 GLU 49 -5.319 2.169 10.537 367 H ALA 50 HN ALA 50 -4.616 3.705 8.191 368 HA ALA 50 HA ALA 50 -3.519 6.415 8.182 369 HB1 ALA 50 HB1 ALA 50 -5.549 6.742 6.602 370 HB2 ALA 50 HB2 ALA 50 -5.576 4.979 6.547 371 HB3 ALA 50 HB3 ALA 50 -4.144 5.857 6.018 372 H GLY 51 HN GLY 51 -6.839 6.356 7.710 373 HA2 GLY 51 HA2 GLY 51 -7.434 6.945 10.535 374 HA3 GLY 51 HA1 GLY 51 -7.951 8.043 9.260 375 H GLY 52 HN GLY 52 -8.071 5.158 7.868 376 HA2 GLY 52 HA2 GLY 52 -10.482 4.038 8.944 377 HA3 GLY 52 HA1 GLY 52 -10.744 4.910 7.441 378 H PHE 53 HN PHE 53 -7.724 4.034 7.133 379 HA PHE 53 HA PHE 53 -8.284 1.353 6.040 380 HB2 PHE 53 HB2 PHE 53 -6.864 3.692 4.850 381 HB3 PHE 53 HB1 PHE 53 -6.168 2.111 4.568 382 HD1 PHE 53 HD1 PHE 53 -9.734 3.239 4.633 383 HD2 PHE 53 HD2 PHE 53 -6.545 1.560 2.400 384 HE1 PHE 53 HE1 PHE 53 -11.255 2.883 2.748 385 HE2 PHE 53 HE2 PHE 53 -8.059 1.188 0.504 386 HZ PHE 53 HZ PHE 53 -10.422 1.853 0.676 387 H CYS 54 HN CYS 54 -6.320 -0.028 5.936 388 HA CYS 54 HA CYS 54 -4.323 0.727 7.951 389 HB2 CYS 54 HB2 CYS 54 -4.198 -1.509 8.781 390 HB3 CYS 54 HB1 CYS 54 -5.904 -1.089 8.736 391 H ILE 55 HN ILE 55 -2.225 0.309 7.467 392 HA ILE 55 HA ILE 55 -1.772 -0.447 4.670 393 HB ILE 55 HB ILE 55 -0.162 1.416 6.400 394 HG12 ILE 55 HG12 ILE 55 -1.065 3.079 4.641 395 HG13 ILE 55 HG11 ILE 55 -2.256 1.836 4.293 396 HG21 ILE 55 HG21 ILE 55 1.320 0.447 4.831 397 HG22 ILE 55 HG22 ILE 55 0.879 2.029 4.181 398 HG23 ILE 55 HG23 ILE 55 0.133 0.567 3.531 399 HD11 ILE 55 HD11 ILE 55 -1.862 2.896 7.057 400 HD12 ILE 55 HD12 ILE 55 -3.245 2.021 6.385 401 HD13 ILE 55 HD13 ILE 55 -2.921 3.682 5.887 402 H ARG 56 HN ARG 56 0.077 -1.500 4.073 403 HA ARG 56 HA ARG 56 1.816 -2.698 6.045 404 HB2 ARG 56 HB2 ARG 56 -0.301 -4.206 4.622 405 HB3 ARG 56 HB1 ARG 56 1.289 -4.956 4.656 406 HG2 ARG 56 HG2 ARG 56 -0.186 -4.005 7.101 407 HG3 ARG 56 HG1 ARG 56 -0.208 -5.665 6.503 408 HD2 ARG 56 HD2 ARG 56 2.208 -5.809 6.779 409 HD3 ARG 56 HD1 ARG 56 2.262 -4.135 7.330 410 HE ARG 56 HE ARG 56 0.497 -5.503 8.991 411 HH11 ARG 56 HH11 ARG 56 3.889 -5.548 8.193 412 HH12 ARG 56 HH12 ARG 56 4.379 -6.131 9.749 413 HH21 ARG 56 HH21 ARG 56 1.132 -6.273 11.039 414 HH22 ARG 56 HH22 ARG 56 2.812 -6.545 11.366 415 H MET 57 HN MET 57 3.396 -4.256 4.737 416 HA MET 57 HA MET 57 4.577 -2.554 2.766 417 HB2 MET 57 HB2 MET 57 5.766 -4.052 4.498 418 HB3 MET 57 HB1 MET 57 5.486 -5.352 3.344 419 HG2 MET 57 HG2 MET 57 6.520 -3.350 1.781 420 HG3 MET 57 HG1 MET 57 7.422 -3.192 3.289 421 HE1 MET 57 HE1 MET 57 7.268 -6.822 0.522 422 HE2 MET 57 HE2 MET 57 6.186 -5.433 0.534 423 HE3 MET 57 HE3 MET 57 6.021 -6.694 1.760 424 H SER 58 HN SER 58 5.109 -3.171 0.585 425 HA SER 58 HA SER 58 3.075 -4.005 -0.996 426 HB2 SER 58 HB2 SER 58 5.004 -2.972 -1.980 427 HB3 SER 58 HB1 SER 58 6.044 -4.315 -1.475 428 HG SER 58 HG SER 58 5.614 -4.936 -3.462 429 H GLY 59 HN GLY 59 3.342 -6.050 -2.568 430 HA2 GLY 59 HA2 GLY 59 2.267 -8.203 -1.278 431 HA3 GLY 59 HA1 GLY 59 3.010 -8.287 -2.852 432 H GLN 60 HN GLN 60 3.753 -10.285 -2.683 433 HA GLN 60 HA GLN 60 5.087 -11.408 -0.493 434 HB2 GLN 60 HB2 GLN 60 5.962 -12.939 -2.509 435 HB3 GLN 60 HB1 GLN 60 4.356 -13.072 -1.820 436 HG2 GLN 60 HG2 GLN 60 3.444 -11.682 -3.562 437 HG3 GLN 60 HG1 GLN 60 5.059 -11.449 -4.239 438 HE21 GLN 60 HE21 GLN 60 4.470 -12.321 -6.221 439 HE22 GLN 60 HE22 GLN 60 4.199 -14.012 -6.444 440 H ALA 61 HN ALA 61 7.169 -11.674 0.004 441 HA ALA 61 HA ALA 61 9.052 -9.758 -0.480 442 HB1 ALA 61 HB1 ALA 61 9.056 -11.630 1.241 443 HB2 ALA 61 HB2 ALA 61 10.614 -11.141 0.576 444 HB3 ALA 61 HB3 ALA 61 9.831 -12.613 -0.002 445 H LYS 62 HN LYS 62 8.280 -12.489 -2.491 446 HA LYS 62 HA LYS 62 10.646 -12.452 -4.079 447 HB2 LYS 62 HB2 LYS 62 9.372 -14.464 -3.915 448 HB3 LYS 62 HB1 LYS 62 7.924 -13.658 -4.474 449 HG2 LYS 62 HG2 LYS 62 8.473 -14.613 -6.433 450 HG3 LYS 62 HG1 LYS 62 9.560 -13.226 -6.575 451 HD2 LYS 62 HD2 LYS 62 10.514 -15.633 -5.122 452 HD3 LYS 62 HD1 LYS 62 10.441 -15.692 -6.887 453 HE2 LYS 62 HE2 LYS 62 11.913 -13.678 -5.197 454 HE3 LYS 62 HE1 LYS 62 12.634 -14.972 -6.155 455 HZ1 LYS 62 HZ1 LYS 62 11.808 -13.925 -8.157 456 HZ2 LYS 62 HZ2 LYS 62 12.751 -12.827 -7.282 457 HZ3 LYS 62 HZ3 LYS 62 11.065 -12.702 -7.255 458 H GLY 63 HN GLY 63 7.581 -10.832 -4.158 459 HA2 GLY 63 HA2 GLY 63 8.350 -9.421 -6.627 460 HA3 GLY 63 HA1 GLY 63 6.687 -9.772 -6.189 461 H ILE 64 HN ILE 64 9.533 -8.282 -4.681 462 HA ILE 64 HA ILE 64 7.722 -6.230 -3.634 463 HB ILE 64 HB ILE 64 10.262 -7.353 -2.516 464 HG12 ILE 64 HG12 ILE 64 8.602 -8.720 -1.796 465 HG13 ILE 64 HG11 ILE 64 8.526 -7.497 -0.536 466 HG21 ILE 64 HG21 ILE 64 9.761 -5.780 -0.576 467 HG22 ILE 64 HG22 ILE 64 8.833 -4.842 -1.751 468 HG23 ILE 64 HG23 ILE 64 10.563 -5.110 -2.000 469 HD11 ILE 64 HD11 ILE 64 6.672 -7.991 -2.827 470 HD12 ILE 64 HD12 ILE 64 6.760 -6.394 -2.065 471 HD13 ILE 64 HD13 ILE 64 6.321 -7.802 -1.103 472 H LEU 65 HN LEU 65 8.107 -4.205 -3.661 473 HA LEU 65 HA LEU 65 8.830 -2.825 -5.732 474 HB2 LEU 65 HB2 LEU 65 9.771 -1.127 -3.879 475 HB3 LEU 65 HB1 LEU 65 8.067 -1.399 -4.191 476 HG LEU 65 HG LEU 65 8.317 -3.237 -2.383 477 HD11 LEU 65 HD11 LEU 65 10.668 -1.456 -1.784 478 HD12 LEU 65 HD12 LEU 65 10.752 -3.147 -2.283 479 HD13 LEU 65 HD13 LEU 65 10.040 -2.718 -0.725 480 HD21 LEU 65 HD21 LEU 65 8.605 -0.535 -1.208 481 HD22 LEU 65 HD22 LEU 65 7.392 -1.783 -0.899 482 HD23 LEU 65 HD23 LEU 65 7.286 -0.790 -2.357 483 H GLU 66 HN GLU 66 10.494 -2.110 -6.853 484 HA GLU 66 HA GLU 66 13.194 -2.131 -5.782 485 HB2 GLU 66 HB2 GLU 66 12.408 -3.809 -8.173 486 HB3 GLU 66 HB1 GLU 66 14.069 -3.405 -7.760 487 HG2 GLU 66 HG2 GLU 66 13.400 -4.448 -5.439 488 HG3 GLU 66 HG1 GLU 66 12.170 -5.252 -6.415 489 H GLY 67 HN GLY 67 13.855 -0.137 -6.250 490 HA2 GLY 67 HA2 GLY 67 14.316 1.755 -7.513 491 HA3 GLY 67 HA1 GLY 67 13.713 0.896 -8.934 492 H LYS 68 HN LYS 68 11.536 0.469 -6.597 493 HA LYS 68 HA LYS 68 9.980 2.916 -7.001 494 HB2 LYS 68 HB2 LYS 68 8.203 1.882 -8.025 495 HB3 LYS 68 HB1 LYS 68 9.456 0.777 -8.584 496 HG2 LYS 68 HG2 LYS 68 8.955 -0.764 -6.793 497 HG3 LYS 68 HG1 LYS 68 7.771 0.353 -6.120 498 HD2 LYS 68 HD2 LYS 68 6.375 0.108 -8.079 499 HD3 LYS 68 HD1 LYS 68 7.591 -0.919 -8.848 500 HE2 LYS 68 HE2 LYS 68 7.352 -2.520 -6.971 501 HE3 LYS 68 HE1 LYS 68 6.047 -1.517 -6.325 502 HZ1 LYS 68 HZ1 LYS 68 4.795 -1.901 -8.360 503 HZ2 LYS 68 HZ2 LYS 68 5.184 -3.369 -7.616 504 HZ3 LYS 68 HZ3 LYS 68 6.044 -2.859 -8.980 505 H PHE 69 HN PHE 69 8.876 3.453 -5.112 506 HA PHE 69 HA PHE 69 8.787 1.353 -3.046 507 HB2 PHE 69 HB2 PHE 69 8.717 4.120 -2.057 508 HB3 PHE 69 HB1 PHE 69 9.617 2.729 -1.462 509 HD1 PHE 69 HD2 PHE 69 11.387 1.994 -3.594 510 HD2 PHE 69 HD1 PHE 69 10.143 5.873 -2.380 511 HE1 PHE 69 HE2 PHE 69 13.443 2.946 -4.548 512 HE2 PHE 69 HE1 PHE 69 12.196 6.834 -3.332 513 HZ PHE 69 HZ PHE 69 13.847 5.370 -4.421 514 H THR 70 HN THR 70 6.748 0.734 -2.558 515 HA THR 70 HA THR 70 4.630 2.752 -2.511 516 HB THR 70 HB THR 70 4.106 0.219 -4.046 517 HG1 THR 70 HG1 THR 70 4.569 1.444 -5.953 518 HG21 THR 70 HG21 THR 70 2.071 1.304 -3.560 519 HG22 THR 70 HG22 THR 70 2.462 1.937 -5.159 520 HG23 THR 70 HG23 THR 70 2.777 2.914 -3.728 521 H LEU 71 HN LEU 71 2.906 2.293 -1.228 522 HA LEU 71 HA LEU 71 2.850 -0.322 0.122 523 HB2 LEU 71 HB2 LEU 71 2.397 2.421 1.272 524 HB3 LEU 71 HB1 LEU 71 1.845 0.966 2.067 525 HG LEU 71 HG LEU 71 4.611 1.997 1.714 526 HD11 LEU 71 HD11 LEU 71 3.305 2.437 3.753 527 HD12 LEU 71 HD12 LEU 71 4.759 1.491 4.064 528 HD13 LEU 71 HD13 LEU 71 3.186 0.698 4.026 529 HD21 LEU 71 HD21 LEU 71 5.440 -0.248 2.498 530 HD22 LEU 71 HD22 LEU 71 4.895 -0.192 0.824 531 HD23 LEU 71 HD23 LEU 71 3.860 -0.901 2.062 532 H LYS 72 HN LYS 72 0.735 -1.043 0.773 533 HA LYS 72 HA LYS 72 -1.445 0.376 -0.609 534 HB2 LYS 72 HB2 LYS 72 -1.067 -1.692 -1.791 535 HB3 LYS 72 HB1 LYS 72 -1.080 -2.601 -0.284 536 HG2 LYS 72 HG2 LYS 72 -3.335 -2.594 -0.125 537 HG3 LYS 72 HG1 LYS 72 -3.496 -1.007 -0.874 538 HD2 LYS 72 HD2 LYS 72 -2.811 -3.544 -2.353 539 HD3 LYS 72 HD1 LYS 72 -4.428 -2.852 -2.246 540 HE2 LYS 72 HE2 LYS 72 -3.521 -0.763 -3.269 541 HE3 LYS 72 HE1 LYS 72 -1.994 -1.610 -3.518 542 HZ1 LYS 72 HZ1 LYS 72 -4.626 -2.304 -4.702 543 HZ2 LYS 72 HZ2 LYS 72 -3.240 -3.259 -4.849 544 HZ3 LYS 72 HZ3 LYS 72 -3.270 -1.706 -5.518 545 H ALA 73 HN ALA 73 -3.249 0.719 0.405 546 HA ALA 73 HA ALA 73 -3.406 -0.070 3.229 547 HB1 ALA 73 HB1 ALA 73 -4.594 2.005 3.602 548 HB2 ALA 73 HB2 ALA 73 -4.635 2.323 1.864 549 HB3 ALA 73 HB3 ALA 73 -3.097 2.352 2.722 550 H VAL 74 HN VAL 74 -5.399 -0.719 4.026 551 HA VAL 74 HA VAL 74 -7.453 -1.324 2.005 552 HB VAL 74 HB VAL 74 -6.273 -3.115 4.103 553 HG11 VAL 74 HG11 VAL 74 -8.126 -4.713 3.626 554 HG12 VAL 74 HG12 VAL 74 -8.961 -3.428 2.757 555 HG13 VAL 74 HG13 VAL 74 -8.655 -3.269 4.486 556 HG21 VAL 74 HG21 VAL 74 -7.026 -3.824 1.293 557 HG22 VAL 74 HG22 VAL 74 -5.794 -4.540 2.341 558 HG23 VAL 74 HG23 VAL 74 -5.535 -2.940 1.640 559 H ALA 75 HN ALA 75 -9.587 -1.174 2.684 560 HA ALA 75 HA ALA 75 -10.120 0.689 4.711 561 HB1 ALA 75 HB1 ALA 75 -11.860 -1.172 3.130 562 HB2 ALA 75 HB2 ALA 75 -11.699 0.588 3.011 563 HB3 ALA 75 HB3 ALA 75 -12.526 -0.131 4.393 564 H LEU 76 HN LEU 76 -10.726 0.515 6.787 565 HA LEU 76 HA LEU 76 -10.183 -1.918 8.166 566 HB2 LEU 76 HB2 LEU 76 -11.495 0.621 9.151 567 HB3 LEU 76 HB1 LEU 76 -10.844 -0.660 10.166 568 HG LEU 76 HG LEU 76 -9.191 0.925 8.216 569 HD11 LEU 76 HD11 LEU 76 -9.539 1.358 11.175 570 HD12 LEU 76 HD12 LEU 76 -9.985 2.469 9.878 571 HD13 LEU 76 HD13 LEU 76 -8.285 2.103 10.181 572 HD21 LEU 76 HD21 LEU 76 -8.355 -1.313 8.822 573 HD22 LEU 76 HD22 LEU 76 -8.376 -0.836 10.520 574 HD23 LEU 76 HD23 LEU 76 -7.302 -0.015 9.387 575 H ASP 77 HN ASP 77 -12.921 -0.152 7.040 576 HA ASP 77 HA ASP 77 -14.787 -2.236 7.936 577 HB2 ASP 77 HB2 ASP 77 -15.607 0.236 6.427 578 HB3 ASP 77 HB1 ASP 77 -16.551 -0.735 7.548 579 H ARG 78 HN ARG 78 -12.739 -2.527 5.821 580 HA ARG 78 HA ARG 78 -13.630 -2.328 3.246 581 HB2 ARG 78 HB2 ARG 78 -11.933 -3.750 2.643 582 HB3 ARG 78 HB1 ARG 78 -11.377 -3.102 4.166 583 HG2 ARG 78 HG2 ARG 78 -11.180 -5.137 5.008 584 HG3 ARG 78 HG1 ARG 78 -12.871 -5.494 4.632 585 HD2 ARG 78 HD2 ARG 78 -12.140 -5.856 2.258 586 HD3 ARG 78 HD1 ARG 78 -10.478 -5.796 2.844 587 HE ARG 78 HE ARG 78 -11.842 -7.675 4.385 588 HH11 ARG 78 HH11 ARG 78 -10.860 -7.240 1.070 589 HH12 ARG 78 HH12 ARG 78 -10.723 -8.937 0.753 590 HH21 ARG 78 HH21 ARG 78 -11.665 -9.910 3.977 591 HH22 ARG 78 HH22 ARG 78 -11.183 -10.456 2.406 592 H GLU 79 HN GLU 79 -14.675 -4.689 5.621 593 HA GLU 79 HA GLU 79 -15.763 -6.636 3.966 594 HB2 GLU 79 HB2 GLU 79 -17.204 -5.563 6.391 595 HB3 GLU 79 HB1 GLU 79 -17.229 -7.204 5.758 596 HG2 GLU 79 HG2 GLU 79 -14.851 -7.439 6.364 597 HG3 GLU 79 HG1 GLU 79 -14.904 -5.826 7.075 598 H ALA 80 HN ALA 80 -16.659 -3.430 4.620 599 HA ALA 80 HA ALA 80 -19.086 -3.559 3.004 600 HB1 ALA 80 HB1 ALA 80 -19.496 -2.595 5.134 601 HB2 ALA 80 HB2 ALA 80 -19.446 -1.251 3.992 602 HB3 ALA 80 HB3 ALA 80 -18.052 -1.582 5.029 603 H GLU 81 HN GLU 81 -15.835 -2.397 3.098 604 HA GLU 81 HA GLU 81 -16.241 -0.921 0.566 605 HB2 GLU 81 HB2 GLU 81 -14.125 -0.148 2.543 606 HB3 GLU 81 HB1 GLU 81 -14.854 0.806 1.257 607 HG2 GLU 81 HG2 GLU 81 -16.259 -0.037 3.779 608 HG3 GLU 81 HG1 GLU 81 -15.517 1.538 3.507 609 HA PRO 82 HA PRO 82 -13.131 -4.398 -0.083 610 HB2 PRO 82 HB2 PRO 82 -13.754 -4.373 -2.818 611 HB3 PRO 82 HB1 PRO 82 -14.361 -5.531 -1.631 612 HG2 PRO 82 HG2 PRO 82 -15.654 -3.083 -2.742 613 HG3 PRO 82 HG1 PRO 82 -16.389 -4.622 -2.255 614 HD2 PRO 82 HD2 PRO 82 -16.599 -2.421 -0.746 615 HD3 PRO 82 HD1 PRO 82 -16.429 -4.027 -0.014 616 H ARG 83 HN ARG 83 -13.697 -1.220 -1.213 617 HA ARG 83 HA ARG 83 -11.719 -0.874 -3.118 618 HB2 ARG 83 HB2 ARG 83 -13.026 0.978 -1.182 619 HB3 ARG 83 HB1 ARG 83 -11.678 1.548 -2.151 620 HG2 ARG 83 HG2 ARG 83 -13.046 0.562 -4.131 621 HG3 ARG 83 HG1 ARG 83 -14.401 0.699 -3.004 622 HD2 ARG 83 HD2 ARG 83 -14.077 3.047 -2.779 623 HD3 ARG 83 HD1 ARG 83 -12.544 2.979 -3.647 624 HE ARG 83 HE ARG 83 -14.494 2.012 -5.367 625 HH11 ARG 83 HH11 ARG 83 -13.743 4.994 -3.728 626 HH12 ARG 83 HH12 ARG 83 -14.445 5.995 -4.956 627 HH21 ARG 83 HH21 ARG 83 -15.421 3.320 -6.986 628 HH22 ARG 83 HH22 ARG 83 -15.400 5.043 -6.807 629 H VAL 84 HN VAL 84 -9.658 -0.555 -3.138 630 HA VAL 84 HA VAL 84 -8.157 -0.429 -0.602 631 HB VAL 84 HB VAL 84 -6.618 -1.698 -2.691 632 HG11 VAL 84 HG11 VAL 84 -5.851 -2.894 -0.973 633 HG12 VAL 84 HG12 VAL 84 -7.474 -3.319 -0.421 634 HG13 VAL 84 HG13 VAL 84 -6.768 -1.760 0.019 635 HG21 VAL 84 HG21 VAL 84 -8.982 -2.368 -3.389 636 HG22 VAL 84 HG22 VAL 84 -9.027 -3.291 -1.884 637 HG23 VAL 84 HG23 VAL 84 -7.824 -3.673 -3.115 638 H LEU 85 HN LEU 85 -5.969 0.602 -0.844 639 HA LEU 85 HA LEU 85 -5.722 2.227 -3.283 640 HB2 LEU 85 HB2 LEU 85 -6.865 3.521 -1.450 641 HB3 LEU 85 HB1 LEU 85 -5.381 3.405 -0.533 642 HG LEU 85 HG LEU 85 -4.278 4.531 -2.582 643 HD11 LEU 85 HD11 LEU 85 -7.198 5.043 -3.123 644 HD12 LEU 85 HD12 LEU 85 -5.960 4.414 -4.226 645 HD13 LEU 85 HD13 LEU 85 -5.913 6.105 -3.715 646 HD21 LEU 85 HD21 LEU 85 -6.052 5.852 -0.557 647 HD22 LEU 85 HD22 LEU 85 -5.152 6.805 -1.738 648 HD23 LEU 85 HD23 LEU 85 -4.291 5.758 -0.612 649 H ARG 86 HN ARG 86 -3.635 3.273 -3.503 650 HA ARG 86 HA ARG 86 -1.425 2.260 -1.918 651 HB2 ARG 86 HB2 ARG 86 -0.671 0.729 -3.371 652 HB3 ARG 86 HB1 ARG 86 -2.092 0.973 -4.350 653 HG2 ARG 86 HG2 ARG 86 -0.966 2.640 -5.661 654 HG3 ARG 86 HG1 ARG 86 0.443 2.559 -4.604 655 HD2 ARG 86 HD2 ARG 86 0.745 0.192 -5.234 656 HD3 ARG 86 HD1 ARG 86 -0.622 0.328 -6.338 657 HE ARG 86 HE ARG 86 1.437 2.266 -6.831 658 HH11 ARG 86 HH11 ARG 86 0.376 -0.995 -7.461 659 HH12 ARG 86 HH12 ARG 86 1.281 -1.142 -8.930 660 HH21 ARG 86 HH21 ARG 86 2.635 2.076 -8.763 661 HH22 ARG 86 HH22 ARG 86 2.565 0.602 -9.670 662 H LEU 87 HN LEU 87 0.446 3.551 -2.120 663 HA LEU 87 HA LEU 87 0.420 5.720 -4.043 664 HB2 LEU 87 HB2 LEU 87 -0.865 6.497 -2.004 665 HB3 LEU 87 HB1 LEU 87 0.624 6.328 -1.105 666 HG LEU 87 HG LEU 87 1.652 8.134 -2.156 667 HD11 LEU 87 HD11 LEU 87 0.331 9.240 -4.138 668 HD12 LEU 87 HD12 LEU 87 -0.326 7.614 -4.326 669 HD13 LEU 87 HD13 LEU 87 1.414 7.879 -4.430 670 HD21 LEU 87 HD21 LEU 87 -1.261 8.899 -2.040 671 HD22 LEU 87 HD22 LEU 87 0.134 9.960 -1.834 672 HD23 LEU 87 HD23 LEU 87 -0.219 8.719 -0.628 673 H ASN 88 HN ASN 88 2.396 5.995 -4.808 674 HA ASN 88 HA ASN 88 4.608 4.746 -3.340 675 HB2 ASN 88 HB2 ASN 88 5.817 4.839 -5.516 676 HB3 ASN 88 HB1 ASN 88 4.326 3.906 -5.580 677 HD21 ASN 88 HD21 ASN 88 4.049 4.137 -7.764 678 HD22 ASN 88 HD22 ASN 88 3.635 5.640 -8.508 679 H GLU 89 HN GLU 89 6.822 5.872 -4.197 680 HA GLU 89 HA GLU 89 7.039 8.272 -2.736 681 HB2 GLU 89 HB2 GLU 89 9.307 8.270 -3.325 682 HB3 GLU 89 HB1 GLU 89 8.856 6.574 -3.289 683 HG2 GLU 89 HG2 GLU 89 8.961 8.199 -5.815 684 HG3 GLU 89 HG1 GLU 89 10.323 7.270 -5.196 685 H SER 90 HN SER 90 6.236 7.622 -6.022 686 HA SER 90 HA SER 90 6.827 10.289 -6.974 687 HB2 SER 90 HB2 SER 90 7.034 8.368 -8.511 688 HB3 SER 90 HB1 SER 90 5.319 8.017 -8.304 689 HG SER 90 HG SER 90 6.496 9.763 -9.969 690 H LEU 91 HN LEU 91 4.745 9.243 -4.886 691 HA LEU 91 HA LEU 91 2.755 9.872 -4.077 692 HB2 LEU 91 HB2 LEU 91 3.580 12.254 -5.655 693 HB3 LEU 91 HB1 LEU 91 2.085 12.244 -4.736 694 HG LEU 91 HG LEU 91 4.560 12.986 -3.805 695 HD11 LEU 91 HD11 LEU 91 2.234 12.048 -2.150 696 HD12 LEU 91 HD12 LEU 91 2.345 13.624 -2.937 697 HD13 LEU 91 HD13 LEU 91 3.485 13.193 -1.662 698 HD21 LEU 91 HD21 LEU 91 5.235 10.592 -3.710 699 HD22 LEU 91 HD22 LEU 91 3.947 10.333 -2.534 700 HD23 LEU 91 HD23 LEU 91 5.283 11.418 -2.152 701 H THR 92 HN THR 92 2.888 8.390 -6.584 702 HA THR 92 HA THR 92 0.398 9.164 -7.916 703 HB THR 92 HB THR 92 2.489 7.101 -8.615 704 HG1 THR 92 HG1 THR 92 3.322 8.810 -9.545 705 HG21 THR 92 HG21 THR 92 1.217 6.763 -10.704 706 HG22 THR 92 HG22 THR 92 -0.060 7.804 -10.075 707 HG23 THR 92 HG23 THR 92 0.299 6.272 -9.279 708 H ALA 93 HN ALA 93 -1.395 8.321 -7.058 709 HA ALA 93 HA ALA 93 -1.185 5.772 -5.613 710 HB1 ALA 93 HB1 ALA 93 -2.138 7.228 -4.118 711 HB2 ALA 93 HB2 ALA 93 -3.578 6.544 -4.881 712 HB3 ALA 93 HB3 ALA 93 -2.986 8.128 -5.377 713 H VAL 94 HN VAL 94 -2.764 4.223 -5.783 714 HA VAL 94 HA VAL 94 -4.633 4.386 -8.014 715 HB VAL 94 HB VAL 94 -2.633 3.248 -8.951 716 HG11 VAL 94 HG11 VAL 94 -2.409 2.065 -6.486 717 HG12 VAL 94 HG12 VAL 94 -1.560 1.555 -7.944 718 HG13 VAL 94 HG13 VAL 94 -3.061 0.759 -7.475 719 HG21 VAL 94 HG21 VAL 94 -3.878 1.158 -9.682 720 HG22 VAL 94 HG22 VAL 94 -4.707 2.693 -9.950 721 HG23 VAL 94 HG23 VAL 94 -5.170 1.663 -8.591 722 H VAL 95 HN VAL 95 -6.484 3.685 -7.544 723 HA VAL 95 HA VAL 95 -6.891 2.257 -5.029 724 HB VAL 95 HB VAL 95 -8.023 4.340 -5.086 725 HG11 VAL 95 HG11 VAL 95 -9.179 3.496 -7.747 726 HG12 VAL 95 HG12 VAL 95 -7.840 4.636 -7.532 727 HG13 VAL 95 HG13 VAL 95 -9.455 5.030 -6.917 728 HG21 VAL 95 HG21 VAL 95 -10.080 2.265 -5.830 729 HG22 VAL 95 HG22 VAL 95 -10.332 3.714 -4.857 730 HG23 VAL 95 HG23 VAL 95 -9.330 2.399 -4.238 731 H CYS 96 HN CYS 96 -8.264 0.508 -4.903 732 HA CYS 96 HA CYS 96 -9.041 -0.745 -7.441 733 HB2 CYS 96 HB2 CYS 96 -7.883 -1.940 -4.933 734 HB3 CYS 96 HB1 CYS 96 -8.857 -2.911 -6.030 735 H GLY 97 HN GLY 97 -10.917 -2.115 -7.315 736 HA2 GLY 97 HA2 GLY 97 -12.834 -1.060 -5.352 737 HA3 GLY 97 HA1 GLY 97 -13.255 -1.607 -6.971 738 H LYS 98 HN LYS 98 -10.977 -3.628 -5.953 739 HA LYS 98 HA LYS 98 -12.669 -5.385 -4.378 740 HB2 LYS 98 HB2 LYS 98 -12.763 -5.682 -7.064 741 HB3 LYS 98 HB1 LYS 98 -11.382 -6.689 -6.693 742 HG2 LYS 98 HG2 LYS 98 -14.147 -6.938 -5.556 743 HG3 LYS 98 HG1 LYS 98 -13.380 -8.016 -6.726 744 HD2 LYS 98 HD2 LYS 98 -12.205 -9.107 -5.122 745 HD3 LYS 98 HD1 LYS 98 -11.893 -7.631 -4.211 746 HE2 LYS 98 HE2 LYS 98 -13.284 -9.157 -2.937 747 HE3 LYS 98 HE1 LYS 98 -14.153 -7.671 -3.333 748 HZ1 LYS 98 HZ1 LYS 98 -15.558 -9.587 -3.675 749 HZ2 LYS 98 HZ2 LYS 98 -14.427 -10.282 -4.723 750 HZ3 LYS 98 HZ3 LYS 98 -15.224 -8.858 -5.166 751 H MET 99 HN MET 99 -11.473 -6.191 -2.816 752 HA MET 99 HA MET 99 -8.591 -6.518 -3.297 753 HB2 MET 99 HB2 MET 99 -9.532 -4.881 -1.457 754 HB3 MET 99 HB1 MET 99 -9.732 -6.355 -0.534 755 HG2 MET 99 HG2 MET 99 -7.161 -6.444 -1.645 756 HG3 MET 99 HG1 MET 99 -7.378 -4.830 -0.977 757 HE1 MET 99 HE1 MET 99 -7.847 -8.764 1.283 758 HE2 MET 99 HE2 MET 99 -7.237 -8.597 -0.365 759 HE3 MET 99 HE3 MET 99 -8.917 -8.201 -0.005 760 H LYS 100 HN LYS 100 -8.253 -8.556 -3.797 761 HA LYS 100 HA LYS 100 -9.861 -10.638 -2.498 762 HB2 LYS 100 HB2 LYS 100 -7.919 -11.005 -4.771 763 HB3 LYS 100 HB1 LYS 100 -9.209 -12.087 -4.267 764 HG2 LYS 100 HG2 LYS 100 -10.864 -10.750 -5.189 765 HG3 LYS 100 HG1 LYS 100 -9.822 -9.325 -5.231 766 HD2 LYS 100 HD2 LYS 100 -8.450 -10.381 -6.962 767 HD3 LYS 100 HD1 LYS 100 -9.497 -11.802 -6.922 768 HE2 LYS 100 HE2 LYS 100 -11.383 -10.486 -7.667 769 HE3 LYS 100 HE1 LYS 100 -10.419 -9.012 -7.605 770 HZ1 LYS 100 HZ1 LYS 100 -10.605 -9.838 -9.860 771 HZ2 LYS 100 HZ2 LYS 100 -9.944 -11.327 -9.407 772 HZ3 LYS 100 HZ3 LYS 100 -8.996 -9.928 -9.342 773 H GLY 101 HN GLY 101 -6.492 -10.377 -3.604 774 HA2 GLY 101 HA2 GLY 101 -5.652 -12.213 -1.506 775 HA3 GLY 101 HA1 GLY 101 -4.675 -11.640 -2.847 776 H LYS 102 HN LYS 102 -3.000 -10.537 -2.165 777 HA LYS 102 HA LYS 102 -1.634 -9.291 -0.844 778 HB2 LYS 102 HB2 LYS 102 -4.107 -7.580 -0.772 779 HB3 LYS 102 HB1 LYS 102 -2.462 -7.045 -0.494 780 HG2 LYS 102 HG2 LYS 102 -1.871 -7.216 -2.709 781 HG3 LYS 102 HG1 LYS 102 -3.155 -8.371 -3.064 782 HD2 LYS 102 HD2 LYS 102 -3.750 -5.551 -2.248 783 HD3 LYS 102 HD1 LYS 102 -3.423 -5.979 -3.930 784 HE2 LYS 102 HE2 LYS 102 -5.270 -7.508 -3.960 785 HE3 LYS 102 HE1 LYS 102 -5.529 -7.298 -2.229 786 HZ1 LYS 102 HZ1 LYS 102 -5.771 -5.103 -4.210 787 HZ2 LYS 102 HZ2 LYS 102 -6.202 -5.053 -2.578 788 HZ3 LYS 102 HZ3 LYS 102 -7.081 -6.016 -3.655 789 H GLY 103 HN GLY 103 -4.316 -7.936 0.847 790 HA2 GLY 103 HA2 GLY 103 -4.574 -9.633 3.041 791 HA3 GLY 103 HA1 GLY 103 -3.288 -8.485 3.406 792 H SER 104 HN SER 104 -6.016 -8.778 4.584 793 HA SER 104 HA SER 104 -6.910 -6.032 4.016 794 HB2 SER 104 HB2 SER 104 -9.102 -7.645 4.930 795 HB3 SER 104 HB1 SER 104 -8.946 -6.719 3.438 796 HG SER 104 HG SER 104 -9.092 -9.262 3.570 797 H CYS 105 HN CYS 105 -8.008 -4.956 5.675 798 HA CYS 105 HA CYS 105 -6.875 -5.368 8.265 799 HB2 CYS 105 HB2 CYS 105 -9.237 -3.587 7.743 800 HB3 CYS 105 HB1 CYS 105 -7.916 -3.361 8.876 801 H THR 106 HN THR 106 -8.639 -5.039 10.157 802 HA THR 106 HA THR 106 -9.947 -6.340 11.522 803 HB THR 106 HB THR 106 -11.570 -4.807 10.653 804 HG1 THR 106 HG1 THR 106 -13.386 -6.034 11.023 805 HG21 THR 106 HG21 THR 106 -11.918 -6.714 8.334 806 HG22 THR 106 HG22 THR 106 -11.184 -5.110 8.263 807 HG23 THR 106 HG23 THR 106 -12.899 -5.280 8.642 808 H ASP 107 HN ASP 107 -8.295 -7.936 9.678 809 HA ASP 107 HA ASP 107 -9.659 -10.452 10.055 810 HB2 ASP 107 HB2 ASP 107 -8.983 -9.438 7.292 811 HB3 ASP 107 HB1 ASP 107 -9.263 -11.139 7.651 812 H GLY 108 HN GLY 108 -6.974 -9.242 8.036 813 HA2 GLY 108 HA2 GLY 108 -4.900 -10.068 9.721 814 HA3 GLY 108 HA1 GLY 108 -5.258 -11.400 8.633 815 H GLU 109 HN GLU 109 -4.663 -7.888 8.540 816 HA GLU 109 HA GLU 109 -3.839 -7.820 5.841 817 HB2 GLU 109 HB2 GLU 109 -2.975 -5.596 6.357 818 HB3 GLU 109 HB1 GLU 109 -4.565 -5.822 7.075 819 HG2 GLU 109 HG2 GLU 109 -3.544 -6.258 9.236 820 HG3 GLU 109 HG1 GLU 109 -1.942 -6.073 8.527 821 H GLU 110 HN GLU 110 -1.767 -7.827 4.904 822 HA GLU 110 HA GLU 110 0.514 -8.246 6.627 823 HB2 GLU 110 HB2 GLU 110 1.214 -10.305 5.427 824 HB3 GLU 110 HB1 GLU 110 -0.222 -10.498 6.427 825 HG2 GLU 110 HG2 GLU 110 -1.599 -10.192 4.413 826 HG3 GLU 110 HG1 GLU 110 -0.122 -10.165 3.457 827 H ILE 111 HN ILE 111 -0.384 -8.533 3.172 828 HA ILE 111 HA ILE 111 1.560 -6.473 2.538 829 HB ILE 111 HB ILE 111 2.606 -7.896 0.757 830 HG12 ILE 111 HG12 ILE 111 2.544 -10.420 1.555 831 HG13 ILE 111 HG11 ILE 111 0.959 -9.951 2.158 832 HG21 ILE 111 HG21 ILE 111 3.544 -7.308 3.072 833 HG22 ILE 111 HG22 ILE 111 4.312 -8.613 2.161 834 HG23 ILE 111 HG23 ILE 111 3.196 -8.992 3.476 835 HD11 ILE 111 HD11 ILE 111 1.922 -10.277 -0.609 836 HD12 ILE 111 HD12 ILE 111 0.764 -8.984 -0.302 837 HD13 ILE 111 HD13 ILE 111 0.355 -10.648 0.111 838 H PHE 112 HN PHE 112 1.721 -6.267 0.036 839 HA PHE 112 HA PHE 112 -1.009 -6.335 -1.055 840 HB2 PHE 112 HB2 PHE 112 -0.634 -4.085 -0.924 841 HB3 PHE 112 HB1 PHE 112 1.107 -4.252 -1.028 842 HD1 PHE 112 HD2 PHE 112 -1.715 -5.105 -3.339 843 HD2 PHE 112 HD1 PHE 112 1.943 -3.013 -2.752 844 HE1 PHE 112 HE2 PHE 112 -1.782 -4.340 -5.675 845 HE2 PHE 112 HE1 PHE 112 1.883 -2.244 -5.090 846 HZ PHE 112 HZ PHE 112 0.018 -2.909 -6.554 847 H ARG 113 HN ARG 113 -0.534 -8.516 -1.866 848 HA ARG 113 HA ARG 113 1.395 -8.556 -4.060 849 HB2 ARG 113 HB2 ARG 113 1.154 -11.009 -3.996 850 HB3 ARG 113 HB1 ARG 113 1.683 -10.346 -2.460 851 HG2 ARG 113 HG2 ARG 113 -0.493 -10.617 -1.522 852 HG3 ARG 113 HG1 ARG 113 -1.167 -11.081 -3.089 853 HD2 ARG 113 HD2 ARG 113 0.876 -12.594 -1.474 854 HD3 ARG 113 HD1 ARG 113 -0.809 -13.046 -1.726 855 HE ARG 113 HE ARG 113 0.545 -12.773 -4.203 856 HH11 ARG 113 HH11 ARG 113 0.205 -14.911 -1.470 857 HH12 ARG 113 HH12 ARG 113 0.615 -16.333 -2.370 858 HH21 ARG 113 HH21 ARG 113 1.085 -14.639 -5.392 859 HH22 ARG 113 HH22 ARG 113 1.116 -16.178 -4.599 860 H GLY 114 HN GLY 114 0.784 -8.388 -6.050 861 HA2 GLY 114 HA2 GLY 114 -1.419 -7.575 -7.180 862 HA3 GLY 114 HA1 GLY 114 -0.449 -8.790 -7.985 863 H ASN 115 HN ASN 115 -3.341 -8.160 -6.154 864 HA ASN 115 HA ASN 115 -4.700 -10.337 -7.429 865 HB2 ASN 115 HB2 ASN 115 -4.065 -10.443 -4.511 866 HB3 ASN 115 HB1 ASN 115 -5.533 -11.183 -5.135 867 HD21 ASN 115 HD21 ASN 115 -3.037 -12.281 -3.914 868 HD22 ASN 115 HD22 ASN 115 -2.496 -13.483 -5.030 869 H ASP 116 HN ASP 116 -5.208 -7.725 -7.757 870 HA ASP 116 HA ASP 116 -7.659 -7.296 -6.183 871 HB2 ASP 116 HB2 ASP 116 -7.031 -4.783 -6.979 872 HB3 ASP 116 HB1 ASP 116 -6.594 -5.457 -5.418 873 H ALA 117 HN ALA 117 -9.300 -6.020 -7.216 874 HA ALA 117 HA ALA 117 -9.221 -6.010 -10.158 875 HB1 ALA 117 HB1 ALA 117 -11.552 -7.006 -8.511 876 HB2 ALA 117 HB2 ALA 117 -10.428 -8.032 -9.411 877 HB3 ALA 117 HB3 ALA 117 -11.471 -6.902 -10.273 878 H GLU 118 HN GLU 118 -11.024 -4.696 -11.076 879 HA GLU 118 HA GLU 118 -12.050 -2.675 -11.286 880 HB2 GLU 118 HB2 GLU 118 -12.660 -3.420 -8.426 881 HB3 GLU 118 HB1 GLU 118 -13.330 -1.978 -9.185 882 HG2 GLU 118 HG2 GLU 118 -13.712 -4.795 -10.167 883 HG3 GLU 118 HG1 GLU 118 -14.873 -3.884 -9.202 884 H CYS 119 HN CYS 119 -9.468 -2.102 -11.246 885 HA CYS 119 HA CYS 119 -9.191 -0.033 -9.156 886 HB2 CYS 119 HB2 CYS 119 -6.796 -1.207 -10.505 887 HB3 CYS 119 HB1 CYS 119 -6.920 -0.426 -8.939 888 H ARG 120 HN ARG 120 -8.400 1.912 -9.615 889 HA ARG 120 HA ARG 120 -7.654 2.636 -12.332 890 HB2 ARG 120 HB2 ARG 120 -9.263 4.290 -12.519 891 HB3 ARG 120 HB1 ARG 120 -10.154 2.979 -11.765 892 HG2 ARG 120 HG2 ARG 120 -10.764 4.399 -10.199 893 HG3 ARG 120 HG1 ARG 120 -9.087 4.411 -9.655 894 HD2 ARG 120 HD2 ARG 120 -9.638 6.671 -10.004 895 HD3 ARG 120 HD1 ARG 120 -8.673 6.184 -11.398 896 HE ARG 120 HE ARG 120 -11.569 6.048 -11.671 897 HH11 ARG 120 HH11 ARG 120 -8.599 7.741 -12.343 898 HH12 ARG 120 HH12 ARG 120 -9.273 8.670 -13.640 899 HH21 ARG 120 HH21 ARG 120 -12.463 7.264 -13.376 900 HH22 ARG 120 HH22 ARG 120 -11.470 8.401 -14.226 901 HA PRO 121 HA PRO 121 -4.685 5.179 -10.255 902 HB2 PRO 121 HB2 PRO 121 -4.487 7.365 -11.784 903 HB3 PRO 121 HB1 PRO 121 -3.944 5.779 -12.353 904 HG2 PRO 121 HG2 PRO 121 -6.556 7.156 -12.867 905 HG3 PRO 121 HG1 PRO 121 -5.453 6.405 -14.036 906 HD2 PRO 121 HD2 PRO 121 -7.606 5.092 -13.128 907 HD3 PRO 121 HD1 PRO 121 -6.069 4.250 -13.416 908 H PHE 122 HN PHE 122 -4.919 6.230 -8.404 909 HA PHE 122 HA PHE 122 -7.063 8.224 -8.159 910 HB2 PHE 122 HB2 PHE 122 -6.471 5.976 -6.604 911 HB3 PHE 122 HB1 PHE 122 -5.910 7.338 -5.652 912 HD1 PHE 122 HD2 PHE 122 -8.816 7.471 -7.946 913 HD2 PHE 122 HD1 PHE 122 -7.468 7.215 -3.924 914 HE1 PHE 122 HE2 PHE 122 -11.105 7.911 -7.157 915 HE2 PHE 122 HE1 PHE 122 -9.745 7.641 -3.120 916 HZ PHE 122 HZ PHE 122 -11.575 7.997 -4.739 917 H THR 123 HN THR 123 -6.665 10.219 -7.285 918 HA THR 123 HA THR 123 -3.862 10.838 -6.640 919 HB THR 123 HB THR 123 -4.185 13.073 -7.687 920 HG1 THR 123 HG1 THR 123 -6.029 12.921 -9.338 921 HG21 THR 123 HG21 THR 123 -4.573 10.721 -9.530 922 HG22 THR 123 HG22 THR 123 -3.035 11.285 -8.877 923 HG23 THR 123 HG23 THR 123 -3.946 12.305 -9.990 924 H GLY 124 HN GLY 124 -3.899 11.156 -4.523 925 HA2 GLY 124 HA2 GLY 124 -6.103 12.144 -3.056 926 HA3 GLY 124 HA1 GLY 124 -4.462 11.969 -2.461 Start of MODEL 2 1 H1 HIS 6 HT1 HIS 6 -19.690 2.583 -7.698 2 H2 HIS 6 HT2 HIS 6 -18.225 3.415 -7.555 3 H3 HIS 6 HT3 HIS 6 -19.525 4.126 -8.370 4 HA HIS 6 HA HIS 6 -19.249 5.086 -6.179 5 HB2 HIS 6 HB2 HIS 6 -21.729 3.364 -6.410 6 HB3 HIS 6 HB1 HIS 6 -21.562 4.812 -5.423 7 HD1 HIS 6 HD1 HIS 6 -22.016 7.021 -6.537 8 HD2 HIS 6 HD2 HIS 6 -21.719 3.887 -9.251 9 HE1 HIS 6 HE1 HIS 6 -22.725 7.978 -8.751 10 HE2 HIS 6 HE2 HIS 6 -22.628 6.040 -10.357 11 H ARG 7 HN ARG 7 -17.557 4.113 -4.993 12 HA ARG 7 HA ARG 7 -18.473 2.554 -2.757 13 HB2 ARG 7 HB2 ARG 7 -17.508 1.127 -4.946 14 HB3 ARG 7 HB1 ARG 7 -16.139 1.205 -3.847 15 HG2 ARG 7 HG2 ARG 7 -18.882 0.249 -3.063 16 HG3 ARG 7 HG1 ARG 7 -17.567 -0.808 -3.576 17 HD2 ARG 7 HD2 ARG 7 -16.468 -0.611 -1.610 18 HD3 ARG 7 HD1 ARG 7 -16.899 1.082 -1.411 19 HE ARG 7 HE ARG 7 -18.381 -1.217 -0.469 20 HH11 ARG 7 HH11 ARG 7 -18.403 2.205 -1.122 21 HH12 ARG 7 HH12 ARG 7 -19.758 2.525 -0.093 22 HH21 ARG 7 HH21 ARG 7 -20.172 -0.805 0.887 23 HH22 ARG 7 HH22 ARG 7 -20.760 0.816 1.052 24 H SER 8 HN SER 8 -16.822 5.017 -3.854 25 HA SER 8 HA SER 8 -14.239 5.026 -3.023 26 HB2 SER 8 HB2 SER 8 -16.255 7.237 -2.546 27 HB3 SER 8 HB1 SER 8 -14.503 7.432 -2.499 28 HG SER 8 HG SER 8 -15.997 7.692 -4.586 29 H ALA 9 HN ALA 9 -13.704 3.805 -1.307 30 HA ALA 9 HA ALA 9 -15.043 3.954 1.214 31 HB1 ALA 9 HB1 ALA 9 -12.392 2.713 0.488 32 HB2 ALA 9 HB2 ALA 9 -13.962 1.905 0.432 33 HB3 ALA 9 HB3 ALA 9 -13.294 2.436 1.978 34 H ASN 10 HN ASN 10 -12.824 3.889 2.965 35 HA ASN 10 HA ASN 10 -12.394 6.715 3.296 36 HB2 ASN 10 HB2 ASN 10 -11.366 4.361 4.899 37 HB3 ASN 10 HB1 ASN 10 -11.229 6.051 5.373 38 HD21 ASN 10 HD21 ASN 10 -13.873 6.720 4.323 39 HD22 ASN 10 HD22 ASN 10 -15.009 6.073 5.451 40 H LEU 11 HN LEU 11 -11.204 5.594 0.924 41 HA LEU 11 HA LEU 11 -8.494 5.008 1.110 42 HB2 LEU 11 HB2 LEU 11 -9.683 6.720 -1.058 43 HB3 LEU 11 HB1 LEU 11 -8.305 5.653 -1.163 44 HG LEU 11 HG LEU 11 -10.931 4.455 -0.521 45 HD11 LEU 11 HD11 LEU 11 -11.407 6.032 -2.332 46 HD12 LEU 11 HD12 LEU 11 -11.534 4.353 -2.868 47 HD13 LEU 11 HD13 LEU 11 -10.105 5.308 -3.283 48 HD21 LEU 11 HD21 LEU 11 -8.762 3.535 -2.385 49 HD22 LEU 11 HD22 LEU 11 -10.053 2.574 -1.663 50 HD23 LEU 11 HD23 LEU 11 -8.747 3.197 -0.656 51 H ARG 12 HN ARG 12 -10.179 8.012 1.347 52 HA ARG 12 HA ARG 12 -8.155 9.829 0.786 53 HB2 ARG 12 HB2 ARG 12 -9.979 10.587 2.981 54 HB3 ARG 12 HB1 ARG 12 -9.610 11.426 1.482 55 HG2 ARG 12 HG2 ARG 12 -11.536 9.149 1.870 56 HG3 ARG 12 HG1 ARG 12 -11.914 10.821 1.452 57 HD2 ARG 12 HD2 ARG 12 -10.311 8.926 -0.266 58 HD3 ARG 12 HD1 ARG 12 -12.030 9.265 -0.480 59 HE ARG 12 HE ARG 12 -10.281 11.577 -0.525 60 HH11 ARG 12 HH11 ARG 12 -11.959 9.143 -2.368 61 HH12 ARG 12 HH12 ARG 12 -11.926 10.052 -3.842 62 HH21 ARG 12 HH21 ARG 12 -10.234 12.781 -2.457 63 HH22 ARG 12 HH22 ARG 12 -10.943 12.120 -3.892 64 H ALA 13 HN ALA 13 -8.976 8.249 3.829 65 HA ALA 13 HA ALA 13 -7.043 9.589 5.403 66 HB1 ALA 13 HB1 ALA 13 -7.396 7.875 7.032 67 HB2 ALA 13 HB2 ALA 13 -8.094 6.800 5.819 68 HB3 ALA 13 HB3 ALA 13 -8.955 8.264 6.304 69 H ALA 14 HN ALA 14 -7.030 6.733 3.433 70 HA ALA 14 HA ALA 14 -4.435 5.822 4.166 71 HB1 ALA 14 HB1 ALA 14 -6.331 4.465 3.179 72 HB2 ALA 14 HB2 ALA 14 -4.736 4.202 2.467 73 HB3 ALA 14 HB3 ALA 14 -5.923 5.200 1.620 74 H HIS 15 HN HIS 15 -5.750 7.830 1.621 75 HA HIS 15 HA HIS 15 -3.657 7.999 -0.119 76 HB2 HIS 15 HB2 HIS 15 -5.998 9.567 0.565 77 HB3 HIS 15 HB1 HIS 15 -4.654 10.614 0.141 78 HD1 HIS 15 HD1 HIS 15 -3.397 9.670 -2.200 79 HD2 HIS 15 HD2 HIS 15 -7.431 8.867 -1.607 80 HE1 HIS 15 HE1 HIS 15 -4.325 9.162 -4.470 81 HE2 HIS 15 HE2 HIS 15 -6.797 8.965 -4.112 82 H ALA 16 HN ALA 16 -4.110 9.401 3.043 83 HA ALA 16 HA ALA 16 -1.695 10.994 2.897 84 HB1 ALA 16 HB1 ALA 16 -3.571 11.919 4.119 85 HB2 ALA 16 HB2 ALA 16 -2.225 11.617 5.219 86 HB3 ALA 16 HB3 ALA 16 -3.601 10.514 5.186 87 H ALA 17 HN ALA 17 -2.730 7.877 4.056 88 HA ALA 17 HA ALA 17 -0.510 7.430 5.788 89 HB1 ALA 17 HB1 ALA 17 -2.422 5.511 4.498 90 HB2 ALA 17 HB2 ALA 17 -2.495 6.156 6.139 91 HB3 ALA 17 HB3 ALA 17 -1.189 5.057 5.681 92 H LEU 18 HN LEU 18 -1.342 5.975 2.631 93 HA LEU 18 HA LEU 18 1.166 4.846 2.121 94 HB2 LEU 18 HB2 LEU 18 -0.855 5.916 0.142 95 HB3 LEU 18 HB1 LEU 18 0.476 4.856 -0.267 96 HG LEU 18 HG LEU 18 -1.059 3.235 -0.127 97 HD11 LEU 18 HD11 LEU 18 0.248 2.803 1.889 98 HD12 LEU 18 HD12 LEU 18 -1.423 2.260 2.049 99 HD13 LEU 18 HD13 LEU 18 -0.905 3.755 2.828 100 HD21 LEU 18 HD21 LEU 18 -3.252 3.567 0.525 101 HD22 LEU 18 HD22 LEU 18 -2.712 5.178 0.029 102 HD23 LEU 18 HD23 LEU 18 -2.809 4.764 1.745 103 H LEU 19 HN LEU 19 -0.006 8.065 1.948 104 HA LEU 19 HA LEU 19 2.152 9.136 0.370 105 HB2 LEU 19 HB2 LEU 19 0.162 10.403 0.331 106 HB3 LEU 19 HB1 LEU 19 -0.050 10.294 2.061 107 HG LEU 19 HG LEU 19 0.638 12.550 0.982 108 HD11 LEU 19 HD11 LEU 19 0.474 12.056 3.391 109 HD12 LEU 19 HD12 LEU 19 1.771 13.188 3.005 110 HD13 LEU 19 HD13 LEU 19 2.149 11.503 3.362 111 HD21 LEU 19 HD21 LEU 19 3.396 11.467 1.373 112 HD22 LEU 19 HD22 LEU 19 2.886 12.939 0.544 113 HD23 LEU 19 HD23 LEU 19 2.597 11.361 -0.194 114 H GLU 20 HN GLU 20 1.215 9.037 3.751 115 HA GLU 20 HA GLU 20 3.414 10.258 4.924 116 HB2 GLU 20 HB2 GLU 20 1.350 9.676 6.143 117 HB3 GLU 20 HB1 GLU 20 1.752 7.973 5.985 118 HG2 GLU 20 HG2 GLU 20 2.395 8.500 8.147 119 HG3 GLU 20 HG1 GLU 20 3.900 8.539 7.229 120 H ASN 21 HN ASN 21 2.949 7.163 3.511 121 HA ASN 21 HA ASN 21 5.403 6.026 4.517 122 HB2 ASN 21 HB2 ASN 21 4.116 4.209 4.056 123 HB3 ASN 21 HB1 ASN 21 3.099 5.095 2.929 124 HD21 ASN 21 HD21 ASN 21 5.963 3.194 3.310 125 HD22 ASN 21 HD22 ASN 21 6.230 2.888 1.633 126 H ALA 22 HN ALA 22 4.079 7.181 1.464 127 HA ALA 22 HA ALA 22 6.199 6.859 -0.234 128 HB1 ALA 22 HB1 ALA 22 3.974 7.711 -0.885 129 HB2 ALA 22 HB2 ALA 22 5.289 8.681 -1.550 130 HB3 ALA 22 HB3 ALA 22 4.381 9.264 -0.154 131 H ARG 23 HN ARG 23 5.798 9.380 2.193 132 HA ARG 23 HA ARG 23 8.109 10.850 1.318 133 HB2 ARG 23 HB2 ARG 23 7.828 12.097 3.441 134 HB3 ARG 23 HB1 ARG 23 6.353 12.039 2.486 135 HG2 ARG 23 HG2 ARG 23 5.497 10.254 3.937 136 HG3 ARG 23 HG1 ARG 23 6.977 10.343 4.895 137 HD2 ARG 23 HD2 ARG 23 4.980 12.567 4.499 138 HD3 ARG 23 HD1 ARG 23 5.164 11.586 5.952 139 HE ARG 23 HE ARG 23 7.609 12.849 5.260 140 HH11 ARG 23 HH11 ARG 23 4.491 13.464 6.689 141 HH12 ARG 23 HH12 ARG 23 5.052 14.793 7.650 142 HH21 ARG 23 HH21 ARG 23 8.355 14.594 6.520 143 HH22 ARG 23 HH22 ARG 23 7.247 15.433 7.555 144 H PHE 24 HN PHE 24 7.361 8.620 3.960 145 HA PHE 24 HA PHE 24 9.923 8.574 5.118 146 HB2 PHE 24 HB2 PHE 24 7.437 7.066 5.335 147 HB3 PHE 24 HB1 PHE 24 8.846 6.036 5.528 148 HD1 PHE 24 HD2 PHE 24 10.547 6.644 7.289 149 HD2 PHE 24 HD1 PHE 24 6.707 8.462 7.050 150 HE1 PHE 24 HE2 PHE 24 10.758 7.384 9.625 151 HE2 PHE 24 HE1 PHE 24 6.910 9.206 9.388 152 HZ PHE 24 HZ PHE 24 8.937 8.666 10.678 153 H MET 25 HN MET 25 8.596 7.160 2.275 154 HA MET 25 HA MET 25 10.732 5.238 1.940 155 HB2 MET 25 HB2 MET 25 8.371 6.050 0.235 156 HB3 MET 25 HB1 MET 25 9.569 4.870 -0.283 157 HG2 MET 25 HG2 MET 25 7.267 4.289 1.046 158 HG3 MET 25 HG1 MET 25 8.683 3.246 0.970 159 HE1 MET 25 HE1 MET 25 9.753 2.304 3.118 160 HE2 MET 25 HE2 MET 25 10.135 3.355 4.482 161 HE3 MET 25 HE3 MET 25 10.746 3.745 2.875 162 H GLU 26 HN GLU 26 9.607 8.279 0.579 163 HA GLU 26 HA GLU 26 11.616 8.679 -1.319 164 HB2 GLU 26 HB2 GLU 26 9.676 10.342 0.181 165 HB3 GLU 26 HB1 GLU 26 11.086 11.203 -0.395 166 HG2 GLU 26 HG2 GLU 26 9.128 9.648 -2.050 167 HG3 GLU 26 HG1 GLU 26 9.300 11.398 -1.983 168 H GLN 27 HN GLN 27 11.502 8.789 2.096 169 HA GLN 27 HA GLN 27 14.013 10.166 2.456 170 HB2 GLN 27 HB2 GLN 27 11.964 9.006 4.282 171 HB3 GLN 27 HB1 GLN 27 13.535 9.462 4.900 172 HG2 GLN 27 HG2 GLN 27 11.637 11.277 3.459 173 HG3 GLN 27 HG1 GLN 27 11.859 11.212 5.203 174 HE21 GLN 27 HE21 GLN 27 12.260 13.421 3.320 175 HE22 GLN 27 HE22 GLN 27 13.901 13.923 3.525 176 H PHE 28 HN PHE 28 12.713 6.907 3.085 177 HA PHE 28 HA PHE 28 14.963 5.691 4.094 178 HB2 PHE 28 HB2 PHE 28 12.741 4.598 3.868 179 HB3 PHE 28 HB1 PHE 28 13.038 4.439 2.146 180 HD1 PHE 28 HD2 PHE 28 14.005 3.264 5.478 181 HD2 PHE 28 HD1 PHE 28 14.536 2.766 1.286 182 HE1 PHE 28 HE2 PHE 28 15.124 1.109 5.877 183 HE2 PHE 28 HE1 PHE 28 15.646 0.603 1.673 184 HZ PHE 28 HZ PHE 28 15.948 -0.223 3.976 185 H TYR 29 HN TYR 29 14.105 6.406 0.777 186 HA TYR 29 HA TYR 29 16.395 5.161 -0.409 187 HB2 TYR 29 HB2 TYR 29 14.382 5.541 -1.736 188 HB3 TYR 29 HB1 TYR 29 14.457 7.269 -1.422 189 HD1 TYR 29 HD1 TYR 29 15.945 4.491 -3.316 190 HD2 TYR 29 HD2 TYR 29 15.968 8.691 -2.646 191 HE1 TYR 29 HE1 TYR 29 17.279 4.803 -5.358 192 HE2 TYR 29 HE2 TYR 29 17.299 9.016 -4.684 193 HH TYR 29 HH TYR 29 17.734 6.594 -7.005 194 H ALA 30 HN ALA 30 15.471 8.417 0.611 195 HA ALA 30 HA ALA 30 17.792 9.763 -0.269 196 HB1 ALA 30 HB1 ALA 30 15.859 11.043 0.279 197 HB2 ALA 30 HB2 ALA 30 17.101 11.470 1.458 198 HB3 ALA 30 HB3 ALA 30 15.795 10.372 1.908 199 H LYS 31 HN LYS 31 17.260 7.536 2.219 200 HA LYS 31 HA LYS 31 19.653 8.354 3.704 201 HB2 LYS 31 HB2 LYS 31 17.548 6.325 4.474 202 HB3 LYS 31 HB1 LYS 31 18.846 6.923 5.494 203 HG2 LYS 31 HG2 LYS 31 17.765 8.843 5.981 204 HG3 LYS 31 HG1 LYS 31 17.003 8.947 4.392 205 HD2 LYS 31 HD2 LYS 31 15.328 7.379 4.981 206 HD3 LYS 31 HD1 LYS 31 16.205 6.884 6.433 207 HE2 LYS 31 HE2 LYS 31 14.968 9.592 5.956 208 HE3 LYS 31 HE1 LYS 31 14.291 8.317 6.967 209 HZ1 LYS 31 HZ1 LYS 31 16.261 8.462 8.379 210 HZ2 LYS 31 HZ2 LYS 31 15.450 9.944 8.304 211 HZ3 LYS 31 HZ3 LYS 31 16.874 9.714 7.421 212 H LYS 32 HN LYS 32 18.280 5.884 1.700 213 HA LYS 32 HA LYS 32 20.701 4.242 2.013 214 HB2 LYS 32 HB2 LYS 32 17.824 3.537 1.707 215 HB3 LYS 32 HB1 LYS 32 19.022 2.461 1.018 216 HG2 LYS 32 HG2 LYS 32 19.396 3.337 3.823 217 HG3 LYS 32 HG1 LYS 32 18.121 2.169 3.479 218 HD2 LYS 32 HD2 LYS 32 19.731 0.679 2.441 219 HD3 LYS 32 HD1 LYS 32 21.018 1.862 2.695 220 HE2 LYS 32 HE2 LYS 32 19.418 0.506 4.864 221 HE3 LYS 32 HE1 LYS 32 21.057 0.072 4.377 222 HZ1 LYS 32 HZ1 LYS 32 21.794 2.281 5.040 223 HZ2 LYS 32 HZ2 LYS 32 21.074 1.470 6.338 224 HZ3 LYS 32 HZ3 LYS 32 20.222 2.683 5.521 225 H GLY 33 HN GLY 33 18.158 3.921 -0.389 226 HA2 GLY 33 HA2 GLY 33 18.773 5.202 -2.585 227 HA3 GLY 33 HA1 GLY 33 20.178 4.147 -2.500 228 H SER 34 HN SER 34 17.991 2.290 -1.138 229 HA SER 34 HA SER 34 16.376 1.473 -3.359 230 HB2 SER 34 HB2 SER 34 17.364 -0.778 -3.617 231 HB3 SER 34 HB1 SER 34 18.501 0.489 -4.075 232 HG SER 34 HG SER 34 19.027 -1.403 -2.461 233 H PHE 35 HN PHE 35 15.017 -0.430 -2.795 234 HA PHE 35 HA PHE 35 14.592 -0.473 0.105 235 HB2 PHE 35 HB2 PHE 35 12.736 -0.779 -2.214 236 HB3 PHE 35 HB1 PHE 35 12.358 -1.641 -0.725 237 HD1 PHE 35 HD1 PHE 35 13.945 1.680 -1.190 238 HD2 PHE 35 HD2 PHE 35 10.575 -0.519 0.189 239 HE1 PHE 35 HE1 PHE 35 13.012 3.734 -0.213 240 HE2 PHE 35 HE2 PHE 35 9.636 1.532 1.166 241 HZ PHE 35 HZ PHE 35 10.862 3.655 0.964 242 H LYS 36 HN LYS 36 14.051 -2.862 -2.518 243 HA LYS 36 HA LYS 36 14.666 -4.955 -0.613 244 HB2 LYS 36 HB2 LYS 36 12.868 -5.393 -2.113 245 HB3 LYS 36 HB1 LYS 36 13.874 -5.086 -3.522 246 HG2 LYS 36 HG2 LYS 36 14.806 -7.141 -3.458 247 HG3 LYS 36 HG1 LYS 36 14.812 -7.201 -1.695 248 HD2 LYS 36 HD2 LYS 36 13.207 -8.769 -2.092 249 HD3 LYS 36 HD1 LYS 36 12.185 -7.331 -2.076 250 HE2 LYS 36 HE2 LYS 36 11.632 -8.716 -3.982 251 HE3 LYS 36 HE1 LYS 36 12.359 -7.205 -4.528 252 HZ1 LYS 36 HZ1 LYS 36 14.478 -8.393 -4.763 253 HZ2 LYS 36 HZ2 LYS 36 13.272 -9.043 -5.753 254 HZ3 LYS 36 HZ3 LYS 36 13.715 -9.840 -4.328 255 H LEU 37 HN LEU 37 16.288 -6.532 -0.910 256 HA LEU 37 HA LEU 37 18.605 -5.521 -2.419 257 HB2 LEU 37 HB2 LEU 37 19.693 -7.021 -0.400 258 HB3 LEU 37 HB1 LEU 37 19.577 -5.274 -0.430 259 HG LEU 37 HG LEU 37 17.451 -7.037 0.798 260 HD11 LEU 37 HD11 LEU 37 19.748 -5.643 2.169 261 HD12 LEU 37 HD12 LEU 37 19.589 -7.384 1.942 262 HD13 LEU 37 HD13 LEU 37 18.435 -6.518 2.956 263 HD21 LEU 37 HD21 LEU 37 17.982 -4.090 0.704 264 HD22 LEU 37 HD22 LEU 37 17.110 -4.795 2.064 265 HD23 LEU 37 HD23 LEU 37 16.470 -4.964 0.426 266 H THR 38 HN THR 38 16.695 -8.296 -1.519 267 HA THR 38 HA THR 38 18.044 -9.850 -3.585 268 HB THR 38 HB THR 38 19.200 -10.381 -1.415 269 HG1 THR 38 HG1 THR 38 19.458 -12.167 -2.528 270 HG21 THR 38 HG21 THR 38 16.492 -11.523 -0.706 271 HG22 THR 38 HG22 THR 38 17.264 -10.135 0.065 272 HG23 THR 38 HG23 THR 38 17.977 -11.742 0.224 273 H SER 39 HN SER 39 16.866 -11.976 -3.920 274 HA SER 39 HA SER 39 14.070 -11.450 -4.133 275 HB2 SER 39 HB2 SER 39 13.925 -13.588 -5.237 276 HB3 SER 39 HB1 SER 39 15.390 -12.793 -5.803 277 HG SER 39 HG SER 39 15.519 -15.099 -5.121 278 H THR 40 HN THR 40 12.473 -12.104 -2.907 279 HA THR 40 HA THR 40 11.286 -12.974 -1.198 280 HB THR 40 HB THR 40 11.854 -15.015 -0.107 281 HG1 THR 40 HG1 THR 40 13.965 -14.904 0.431 282 HG21 THR 40 HG21 THR 40 12.865 -15.208 -2.941 283 HG22 THR 40 HG22 THR 40 11.159 -15.133 -2.487 284 HG23 THR 40 HG23 THR 40 12.153 -16.502 -1.974 285 H LYS 41 HN LYS 41 12.628 -10.700 -0.848 286 HA LYS 41 HA LYS 41 13.515 -10.791 1.965 287 HB2 LYS 41 HB2 LYS 41 15.129 -10.106 -0.032 288 HB3 LYS 41 HB1 LYS 41 14.320 -8.562 0.151 289 HG2 LYS 41 HG2 LYS 41 15.611 -9.980 2.459 290 HG3 LYS 41 HG1 LYS 41 16.500 -8.883 1.403 291 HD2 LYS 41 HD2 LYS 41 14.140 -8.238 3.162 292 HD3 LYS 41 HD1 LYS 41 15.795 -7.643 3.312 293 HE2 LYS 41 HE2 LYS 41 15.471 -6.624 1.008 294 HE3 LYS 41 HE1 LYS 41 13.756 -6.968 1.212 295 HZ1 LYS 41 HZ1 LYS 41 15.424 -5.229 2.945 296 HZ2 LYS 41 HZ2 LYS 41 13.815 -5.636 3.266 297 HZ3 LYS 41 HZ3 LYS 41 14.198 -4.728 1.891 298 H TRP 42 HN TRP 42 12.700 -9.058 3.313 299 HA TRP 42 HA TRP 42 10.501 -7.555 2.057 300 HB2 TRP 42 HB2 TRP 42 10.396 -9.451 4.272 301 HB3 TRP 42 HB1 TRP 42 9.639 -7.905 4.630 302 HD1 TRP 42 HD1 TRP 42 8.881 -7.941 1.216 303 HE1 TRP 42 HE1 TRP 42 6.661 -9.095 0.672 304 HE3 TRP 42 HE3 TRP 42 8.223 -10.555 5.567 305 HZ2 TRP 42 HZ2 TRP 42 4.861 -10.854 1.900 306 HZ3 TRP 42 HZ3 TRP 42 6.210 -11.954 5.797 307 HH2 TRP 42 HH2 TRP 42 4.564 -12.103 3.999 308 HA PRO 43 HA PRO 43 12.765 -4.221 4.213 309 HB2 PRO 43 HB2 PRO 43 11.721 -2.255 2.619 310 HB3 PRO 43 HB1 PRO 43 13.158 -3.184 2.184 311 HG2 PRO 43 HG2 PRO 43 10.338 -3.511 1.264 312 HG3 PRO 43 HG1 PRO 43 11.846 -3.652 0.341 313 HD2 PRO 43 HD2 PRO 43 10.445 -5.809 1.226 314 HD3 PRO 43 HD1 PRO 43 12.212 -5.814 1.025 315 H GLU 44 HN GLU 44 11.856 -3.395 6.062 316 HA GLU 44 HA GLU 44 9.142 -3.680 6.625 317 HB2 GLU 44 HB2 GLU 44 10.890 -3.592 8.341 318 HB3 GLU 44 HB1 GLU 44 11.073 -1.875 8.029 319 HG2 GLU 44 HG2 GLU 44 8.329 -2.511 8.472 320 HG3 GLU 44 HG1 GLU 44 9.323 -3.099 9.801 321 H LEU 45 HN LEU 45 7.441 -2.378 6.724 322 HA LEU 45 HA LEU 45 7.494 0.026 5.065 323 HB2 LEU 45 HB2 LEU 45 5.089 -0.181 5.046 324 HB3 LEU 45 HB1 LEU 45 5.807 -1.738 4.679 325 HG LEU 45 HG LEU 45 5.223 -1.356 7.509 326 HD11 LEU 45 HD11 LEU 45 2.777 -1.811 7.126 327 HD12 LEU 45 HD12 LEU 45 3.047 -1.169 5.504 328 HD13 LEU 45 HD13 LEU 45 3.359 -0.158 6.919 329 HD21 LEU 45 HD21 LEU 45 4.089 -3.600 7.064 330 HD22 LEU 45 HD22 LEU 45 5.849 -3.492 6.941 331 HD23 LEU 45 HD23 LEU 45 4.859 -3.492 5.481 332 HA PRO 46 HA PRO 46 7.103 2.758 8.537 333 HB2 PRO 46 HB2 PRO 46 6.129 4.953 7.324 334 HB3 PRO 46 HB1 PRO 46 7.782 4.383 7.065 335 HG2 PRO 46 HG2 PRO 46 5.381 4.089 5.322 336 HG3 PRO 46 HG1 PRO 46 7.062 4.375 4.870 337 HD2 PRO 46 HD2 PRO 46 5.796 1.927 4.781 338 HD3 PRO 46 HD1 PRO 46 7.550 2.157 4.851 339 H VAL 47 HN VAL 47 4.258 3.589 6.535 340 HA VAL 47 HA VAL 47 2.642 3.759 8.927 341 HB VAL 47 HB VAL 47 2.408 5.403 7.016 342 HG11 VAL 47 HG11 VAL 47 2.508 3.852 5.165 343 HG12 VAL 47 HG12 VAL 47 0.987 4.743 5.142 344 HG13 VAL 47 HG13 VAL 47 1.021 3.079 5.718 345 HG21 VAL 47 HG21 VAL 47 -0.004 5.581 7.231 346 HG22 VAL 47 HG22 VAL 47 0.738 5.199 8.783 347 HG23 VAL 47 HG23 VAL 47 -0.081 3.936 7.862 348 H LYS 48 HN LYS 48 1.027 2.439 9.526 349 HA LYS 48 HA LYS 48 0.496 0.068 7.873 350 HB2 LYS 48 HB2 LYS 48 0.498 0.000 10.880 351 HB3 LYS 48 HB1 LYS 48 0.544 -1.354 9.761 352 HG2 LYS 48 HG2 LYS 48 2.737 -1.415 10.048 353 HG3 LYS 48 HG1 LYS 48 2.836 0.128 9.197 354 HD2 LYS 48 HD2 LYS 48 2.468 -0.226 12.171 355 HD3 LYS 48 HD1 LYS 48 3.975 0.218 11.366 356 HE2 LYS 48 HE2 LYS 48 2.829 2.238 10.472 357 HE3 LYS 48 HE1 LYS 48 1.414 1.811 11.435 358 HZ1 LYS 48 HZ1 LYS 48 2.782 3.447 12.562 359 HZ2 LYS 48 HZ2 LYS 48 4.120 2.413 12.508 360 HZ3 LYS 48 HZ3 LYS 48 2.767 1.995 13.434 361 H GLU 49 HN GLU 49 -0.713 2.819 9.043 362 HA GLU 49 HA GLU 49 -3.424 2.012 8.692 363 HB2 GLU 49 HB2 GLU 49 -2.895 1.245 11.031 364 HB3 GLU 49 HB1 GLU 49 -2.693 2.937 11.457 365 HG2 GLU 49 HG2 GLU 49 -5.008 3.372 10.778 366 HG3 GLU 49 HG1 GLU 49 -5.206 1.660 10.409 367 H ALA 50 HN ALA 50 -4.639 3.655 8.127 368 HA ALA 50 HA ALA 50 -3.534 6.363 8.174 369 HB1 ALA 50 HB1 ALA 50 -5.628 4.996 6.511 370 HB2 ALA 50 HB2 ALA 50 -4.148 5.794 5.987 371 HB3 ALA 50 HB3 ALA 50 -5.506 6.753 6.569 372 H GLY 51 HN GLY 51 -6.839 6.338 7.660 373 HA2 GLY 51 HA2 GLY 51 -7.455 6.907 10.488 374 HA3 GLY 51 HA1 GLY 51 -8.003 7.970 9.195 375 H GLY 52 HN GLY 52 -8.090 5.146 7.758 376 HA2 GLY 52 HA2 GLY 52 -10.445 3.941 8.891 377 HA3 GLY 52 HA1 GLY 52 -10.745 4.803 7.392 378 H PHE 53 HN PHE 53 -7.714 3.977 7.002 379 HA PHE 53 HA PHE 53 -8.282 1.288 5.932 380 HB2 PHE 53 HB2 PHE 53 -6.850 3.618 4.730 381 HB3 PHE 53 HB1 PHE 53 -6.213 2.018 4.405 382 HD1 PHE 53 HD1 PHE 53 -9.730 3.268 4.620 383 HD2 PHE 53 HD2 PHE 53 -6.700 1.487 2.243 384 HE1 PHE 53 HE1 PHE 53 -11.344 2.981 2.798 385 HE2 PHE 53 HE2 PHE 53 -8.309 1.188 0.412 386 HZ PHE 53 HZ PHE 53 -10.636 1.937 0.687 387 H CYS 54 HN CYS 54 -6.308 -0.094 5.756 388 HA CYS 54 HA CYS 54 -4.306 0.587 7.794 389 HB2 CYS 54 HB2 CYS 54 -4.184 -1.723 8.499 390 HB3 CYS 54 HB1 CYS 54 -5.861 -1.208 8.584 391 H ILE 55 HN ILE 55 -2.207 0.179 7.276 392 HA ILE 55 HA ILE 55 -1.774 -0.475 4.448 393 HB ILE 55 HB ILE 55 -0.176 1.323 6.255 394 HG12 ILE 55 HG12 ILE 55 -1.077 3.034 4.525 395 HG13 ILE 55 HG11 ILE 55 -2.278 1.801 4.172 396 HG21 ILE 55 HG21 ILE 55 1.336 0.442 4.682 397 HG22 ILE 55 HG22 ILE 55 0.872 2.028 4.063 398 HG23 ILE 55 HG23 ILE 55 0.164 0.568 3.368 399 HD11 ILE 55 HD11 ILE 55 -3.206 1.936 6.309 400 HD12 ILE 55 HD12 ILE 55 -2.939 3.603 5.797 401 HD13 ILE 55 HD13 ILE 55 -1.829 2.842 6.938 402 H ARG 56 HN ARG 56 0.055 -1.534 3.781 403 HA ARG 56 HA ARG 56 1.872 -2.768 5.681 404 HB2 ARG 56 HB2 ARG 56 -0.170 -4.307 4.091 405 HB3 ARG 56 HB1 ARG 56 1.366 -5.039 4.520 406 HG2 ARG 56 HG2 ARG 56 -0.603 -3.899 6.489 407 HG3 ARG 56 HG1 ARG 56 -0.457 -5.606 6.072 408 HD2 ARG 56 HD2 ARG 56 1.890 -5.556 6.846 409 HD3 ARG 56 HD1 ARG 56 1.666 -3.877 7.337 410 HE ARG 56 HE ARG 56 -0.326 -5.280 8.605 411 HH11 ARG 56 HH11 ARG 56 3.157 -5.383 8.533 412 HH12 ARG 56 HH12 ARG 56 3.300 -5.979 10.153 413 HH21 ARG 56 HH21 ARG 56 -0.146 -6.064 10.736 414 HH22 ARG 56 HH22 ARG 56 1.423 -6.365 11.405 415 H MET 57 HN MET 57 3.729 -3.692 4.643 416 HA MET 57 HA MET 57 4.634 -2.291 2.403 417 HB2 MET 57 HB2 MET 57 5.989 -3.552 4.201 418 HB3 MET 57 HB1 MET 57 5.764 -4.961 3.172 419 HG2 MET 57 HG2 MET 57 6.615 -3.017 1.419 420 HG3 MET 57 HG1 MET 57 7.555 -2.701 2.878 421 HE1 MET 57 HE1 MET 57 6.302 -6.371 1.794 422 HE2 MET 57 HE2 MET 57 7.510 -6.650 0.542 423 HE3 MET 57 HE3 MET 57 6.362 -5.323 0.374 424 H SER 58 HN SER 58 5.196 -3.058 0.272 425 HA SER 58 HA SER 58 3.190 -4.080 -1.220 426 HB2 SER 58 HB2 SER 58 4.968 -4.672 -2.907 427 HB3 SER 58 HB1 SER 58 5.057 -3.029 -2.283 428 HG SER 58 HG SER 58 6.632 -3.937 -0.745 429 H GLY 59 HN GLY 59 3.445 -6.166 -2.634 430 HA2 GLY 59 HA2 GLY 59 2.463 -8.300 -1.327 431 HA3 GLY 59 HA1 GLY 59 3.316 -8.438 -2.841 432 H GLN 60 HN GLN 60 4.151 -10.399 -2.529 433 HA GLN 60 HA GLN 60 5.378 -11.299 -0.138 434 HB2 GLN 60 HB2 GLN 60 6.285 -13.112 -1.774 435 HB3 GLN 60 HB1 GLN 60 4.573 -13.045 -1.399 436 HG2 GLN 60 HG2 GLN 60 4.210 -11.757 -3.469 437 HG3 GLN 60 HG1 GLN 60 5.917 -11.962 -3.853 438 HE21 GLN 60 HE21 GLN 60 5.489 -13.092 -5.737 439 HE22 GLN 60 HE22 GLN 60 4.892 -14.713 -5.732 440 H ALA 61 HN ALA 61 7.489 -11.587 0.398 441 HA ALA 61 HA ALA 61 9.384 -9.718 -0.245 442 HB1 ALA 61 HB1 ALA 61 10.062 -12.554 0.496 443 HB2 ALA 61 HB2 ALA 61 9.405 -11.387 1.644 444 HB3 ALA 61 HB3 ALA 61 10.959 -11.084 0.872 445 H LYS 62 HN LYS 62 8.522 -12.582 -1.998 446 HA LYS 62 HA LYS 62 10.853 -12.749 -3.631 447 HB2 LYS 62 HB2 LYS 62 9.493 -14.692 -3.266 448 HB3 LYS 62 HB1 LYS 62 8.083 -13.880 -3.911 449 HG2 LYS 62 HG2 LYS 62 8.596 -14.993 -5.783 450 HG3 LYS 62 HG1 LYS 62 9.778 -13.699 -6.012 451 HD2 LYS 62 HD2 LYS 62 10.546 -16.038 -4.356 452 HD3 LYS 62 HD1 LYS 62 10.487 -16.238 -6.110 453 HE2 LYS 62 HE2 LYS 62 12.079 -14.193 -4.572 454 HE3 LYS 62 HE1 LYS 62 12.720 -15.610 -5.406 455 HZ1 LYS 62 HZ1 LYS 62 11.340 -13.321 -6.703 456 HZ2 LYS 62 HZ2 LYS 62 11.954 -14.679 -7.503 457 HZ3 LYS 62 HZ3 LYS 62 13.008 -13.610 -6.725 458 H GLY 63 HN GLY 63 7.802 -11.087 -3.808 459 HA2 GLY 63 HA2 GLY 63 8.584 -9.859 -6.367 460 HA3 GLY 63 HA1 GLY 63 6.918 -10.192 -5.927 461 H ILE 64 HN ILE 64 9.731 -8.552 -4.527 462 HA ILE 64 HA ILE 64 7.888 -6.459 -3.634 463 HB ILE 64 HB ILE 64 10.499 -7.379 -2.481 464 HG12 ILE 64 HG12 ILE 64 8.896 -8.759 -1.625 465 HG13 ILE 64 HG11 ILE 64 8.802 -7.441 -0.463 466 HG21 ILE 64 HG21 ILE 64 10.625 -5.046 -2.203 467 HG22 ILE 64 HG22 ILE 64 10.001 -5.688 -0.679 468 HG23 ILE 64 HG23 ILE 64 8.904 -4.923 -1.832 469 HD11 ILE 64 HD11 ILE 64 6.926 -8.125 -2.700 470 HD12 ILE 64 HD12 ILE 64 6.956 -6.505 -1.977 471 HD13 ILE 64 HD13 ILE 64 6.590 -7.910 -0.974 472 H LEU 65 HN LEU 65 8.195 -4.445 -3.831 473 HA LEU 65 HA LEU 65 8.832 -3.225 -6.039 474 HB2 LEU 65 HB2 LEU 65 9.575 -1.289 -4.421 475 HB3 LEU 65 HB1 LEU 65 7.908 -1.804 -4.557 476 HG LEU 65 HG LEU 65 8.438 -3.345 -2.601 477 HD11 LEU 65 HD11 LEU 65 10.811 -1.498 -2.523 478 HD12 LEU 65 HD12 LEU 65 10.826 -3.260 -2.626 479 HD13 LEU 65 HD13 LEU 65 10.282 -2.467 -1.145 480 HD21 LEU 65 HD21 LEU 65 7.274 -0.985 -2.661 481 HD22 LEU 65 HD22 LEU 65 8.720 -0.508 -1.761 482 HD23 LEU 65 HD23 LEU 65 7.658 -1.772 -1.128 483 H GLU 66 HN GLU 66 10.475 -2.070 -6.994 484 HA GLU 66 HA GLU 66 13.153 -2.083 -5.910 485 HB2 GLU 66 HB2 GLU 66 12.442 -3.756 -8.314 486 HB3 GLU 66 HB1 GLU 66 14.071 -3.143 -8.059 487 HG2 GLU 66 HG2 GLU 66 13.865 -4.253 -5.728 488 HG3 GLU 66 HG1 GLU 66 12.541 -5.155 -6.468 489 H GLY 67 HN GLY 67 13.808 -0.078 -6.282 490 HA2 GLY 67 HA2 GLY 67 14.238 1.893 -7.423 491 HA3 GLY 67 HA1 GLY 67 13.658 1.110 -8.894 492 H LYS 68 HN LYS 68 11.437 0.521 -6.631 493 HA LYS 68 HA LYS 68 9.892 2.989 -6.915 494 HB2 LYS 68 HB2 LYS 68 8.174 2.034 -8.086 495 HB3 LYS 68 HB1 LYS 68 9.425 0.913 -8.619 496 HG2 LYS 68 HG2 LYS 68 8.812 -0.635 -6.836 497 HG3 LYS 68 HG1 LYS 68 7.558 0.478 -6.299 498 HD2 LYS 68 HD2 LYS 68 6.353 0.198 -8.362 499 HD3 LYS 68 HD1 LYS 68 7.665 -0.776 -9.037 500 HE2 LYS 68 HE2 LYS 68 7.310 -2.422 -7.217 501 HE3 LYS 68 HE1 LYS 68 5.915 -1.476 -6.677 502 HZ1 LYS 68 HZ1 LYS 68 6.194 -2.712 -9.369 503 HZ2 LYS 68 HZ2 LYS 68 4.844 -1.876 -8.789 504 HZ3 LYS 68 HZ3 LYS 68 5.284 -3.356 -8.097 505 H PHE 69 HN PHE 69 8.733 3.409 -5.024 506 HA PHE 69 HA PHE 69 8.601 1.185 -3.091 507 HB2 PHE 69 HB2 PHE 69 8.537 3.950 -2.029 508 HB3 PHE 69 HB1 PHE 69 9.291 2.502 -1.370 509 HD1 PHE 69 HD2 PHE 69 11.146 1.648 -3.400 510 HD2 PHE 69 HD1 PHE 69 10.113 5.586 -2.187 511 HE1 PHE 69 HE2 PHE 69 13.328 2.457 -4.192 512 HE2 PHE 69 HE1 PHE 69 12.292 6.409 -2.979 513 HZ PHE 69 HZ PHE 69 13.900 4.840 -3.984 514 H THR 70 HN THR 70 6.546 0.533 -2.701 515 HA THR 70 HA THR 70 4.450 2.578 -2.611 516 HB THR 70 HB THR 70 3.964 0.115 -4.268 517 HG1 THR 70 HG1 THR 70 5.685 1.270 -5.250 518 HG21 THR 70 HG21 THR 70 2.627 2.819 -3.943 519 HG22 THR 70 HG22 THR 70 1.934 1.217 -3.666 520 HG23 THR 70 HG23 THR 70 2.278 1.759 -5.307 521 H LEU 71 HN LEU 71 2.788 2.159 -1.280 522 HA LEU 71 HA LEU 71 2.633 -0.514 -0.059 523 HB2 LEU 71 HB2 LEU 71 2.063 2.144 1.237 524 HB3 LEU 71 HB1 LEU 71 1.812 0.583 1.979 525 HG LEU 71 HG LEU 71 4.342 2.039 1.453 526 HD11 LEU 71 HD11 LEU 71 3.495 2.301 3.627 527 HD12 LEU 71 HD12 LEU 71 4.790 1.110 3.762 528 HD13 LEU 71 HD13 LEU 71 3.108 0.587 3.765 529 HD21 LEU 71 HD21 LEU 71 5.020 0.073 0.435 530 HD22 LEU 71 HD22 LEU 71 4.013 -0.929 1.477 531 HD23 LEU 71 HD23 LEU 71 5.478 -0.188 2.118 532 H LYS 72 HN LYS 72 0.519 -1.271 0.446 533 HA LYS 72 HA LYS 72 -1.628 0.291 -0.832 534 HB2 LYS 72 HB2 LYS 72 -1.329 -1.640 -2.191 535 HB3 LYS 72 HB1 LYS 72 -1.216 -2.696 -0.788 536 HG2 LYS 72 HG2 LYS 72 -3.424 -2.966 -0.689 537 HG3 LYS 72 HG1 LYS 72 -3.719 -1.235 -0.855 538 HD2 LYS 72 HD2 LYS 72 -3.006 -3.008 -3.176 539 HD3 LYS 72 HD1 LYS 72 -4.668 -2.700 -2.680 540 HE2 LYS 72 HE2 LYS 72 -4.365 -0.327 -3.050 541 HE3 LYS 72 HE1 LYS 72 -2.668 -0.582 -3.450 542 HZ1 LYS 72 HZ1 LYS 72 -3.998 -0.331 -5.440 543 HZ2 LYS 72 HZ2 LYS 72 -4.987 -1.625 -4.983 544 HZ3 LYS 72 HZ3 LYS 72 -3.361 -1.897 -5.362 545 H ALA 73 HN ALA 73 -3.133 0.947 0.385 546 HA ALA 73 HA ALA 73 -3.424 -0.086 3.091 547 HB1 ALA 73 HB1 ALA 73 -4.882 2.252 1.902 548 HB2 ALA 73 HB2 ALA 73 -3.201 2.384 2.418 549 HB3 ALA 73 HB3 ALA 73 -4.459 1.959 3.592 550 H VAL 74 HN VAL 74 -5.438 -0.696 3.923 551 HA VAL 74 HA VAL 74 -7.510 -1.348 1.941 552 HB VAL 74 HB VAL 74 -6.248 -3.131 3.997 553 HG11 VAL 74 HG11 VAL 74 -8.600 -3.338 4.462 554 HG12 VAL 74 HG12 VAL 74 -8.097 -4.756 3.545 555 HG13 VAL 74 HG13 VAL 74 -8.977 -3.457 2.743 556 HG21 VAL 74 HG21 VAL 74 -5.576 -2.938 1.521 557 HG22 VAL 74 HG22 VAL 74 -7.067 -3.834 1.204 558 HG23 VAL 74 HG23 VAL 74 -5.804 -4.545 2.215 559 H ALA 75 HN ALA 75 -9.604 -1.061 2.619 560 HA ALA 75 HA ALA 75 -10.108 0.701 4.710 561 HB1 ALA 75 HB1 ALA 75 -12.512 -0.069 4.439 562 HB2 ALA 75 HB2 ALA 75 -11.906 -1.160 3.188 563 HB3 ALA 75 HB3 ALA 75 -11.710 0.589 3.014 564 H LEU 76 HN LEU 76 -10.712 0.497 6.784 565 HA LEU 76 HA LEU 76 -10.129 -1.959 8.131 566 HB2 LEU 76 HB2 LEU 76 -11.341 0.605 9.176 567 HB3 LEU 76 HB1 LEU 76 -10.696 -0.700 10.161 568 HG LEU 76 HG LEU 76 -9.046 0.832 8.171 569 HD11 LEU 76 HD11 LEU 76 -9.805 2.416 9.819 570 HD12 LEU 76 HD12 LEU 76 -8.101 2.043 10.091 571 HD13 LEU 76 HD13 LEU 76 -9.340 1.326 11.126 572 HD21 LEU 76 HD21 LEU 76 -8.215 -0.865 10.518 573 HD22 LEU 76 HD22 LEU 76 -7.163 -0.135 9.305 574 HD23 LEU 76 HD23 LEU 76 -8.273 -1.429 8.848 575 H ASP 77 HN ASP 77 -12.836 -0.122 7.088 576 HA ASP 77 HA ASP 77 -14.745 -2.132 8.056 577 HB2 ASP 77 HB2 ASP 77 -15.510 0.354 6.537 578 HB3 ASP 77 HB1 ASP 77 -16.472 -0.580 7.675 579 H ARG 78 HN ARG 78 -12.754 -2.506 5.901 580 HA ARG 78 HA ARG 78 -13.733 -2.311 3.350 581 HB2 ARG 78 HB2 ARG 78 -12.036 -3.680 2.702 582 HB3 ARG 78 HB1 ARG 78 -11.457 -3.139 4.258 583 HG2 ARG 78 HG2 ARG 78 -11.340 -5.216 5.015 584 HG3 ARG 78 HG1 ARG 78 -13.008 -5.550 4.525 585 HD2 ARG 78 HD2 ARG 78 -12.100 -5.686 2.154 586 HD3 ARG 78 HD1 ARG 78 -10.502 -5.777 2.893 587 HE ARG 78 HE ARG 78 -11.995 -7.717 4.145 588 HH11 ARG 78 HH11 ARG 78 -11.055 -7.003 0.865 589 HH12 ARG 78 HH12 ARG 78 -11.081 -8.660 0.362 590 HH21 ARG 78 HH21 ARG 78 -12.032 -9.900 3.490 591 HH22 ARG 78 HH22 ARG 78 -11.634 -10.307 1.854 592 H GLU 79 HN GLU 79 -14.751 -4.555 5.813 593 HA GLU 79 HA GLU 79 -15.923 -6.554 4.284 594 HB2 GLU 79 HB2 GLU 79 -17.286 -5.320 6.677 595 HB3 GLU 79 HB1 GLU 79 -17.348 -6.994 6.143 596 HG2 GLU 79 HG2 GLU 79 -15.076 -7.354 6.813 597 HG3 GLU 79 HG1 GLU 79 -14.872 -5.642 7.185 598 H ALA 80 HN ALA 80 -16.709 -3.297 4.793 599 HA ALA 80 HA ALA 80 -19.185 -3.428 3.258 600 HB1 ALA 80 HB1 ALA 80 -19.420 -1.049 4.136 601 HB2 ALA 80 HB2 ALA 80 -18.032 -1.410 5.174 602 HB3 ALA 80 HB3 ALA 80 -19.525 -2.344 5.329 603 H GLU 81 HN GLU 81 -15.919 -2.239 3.272 604 HA GLU 81 HA GLU 81 -16.342 -0.922 0.653 605 HB2 GLU 81 HB2 GLU 81 -14.157 -0.116 2.535 606 HB3 GLU 81 HB1 GLU 81 -14.903 0.797 1.233 607 HG2 GLU 81 HG2 GLU 81 -16.253 0.091 3.823 608 HG3 GLU 81 HG1 GLU 81 -15.478 1.635 3.474 609 HA PRO 82 HA PRO 82 -13.324 -4.440 0.063 610 HB2 PRO 82 HB2 PRO 82 -13.901 -4.592 -2.648 611 HB3 PRO 82 HB1 PRO 82 -14.638 -5.595 -1.396 612 HG2 PRO 82 HG2 PRO 82 -15.698 -3.182 -2.773 613 HG3 PRO 82 HG1 PRO 82 -16.564 -4.607 -2.172 614 HD2 PRO 82 HD2 PRO 82 -16.596 -2.215 -0.897 615 HD3 PRO 82 HD1 PRO 82 -16.723 -3.761 -0.038 616 H ARG 83 HN ARG 83 -13.762 -1.298 -1.153 617 HA ARG 83 HA ARG 83 -11.803 -1.059 -3.090 618 HB2 ARG 83 HB2 ARG 83 -12.755 0.960 -1.070 619 HB3 ARG 83 HB1 ARG 83 -11.666 1.351 -2.393 620 HG2 ARG 83 HG2 ARG 83 -13.668 0.093 -3.717 621 HG3 ARG 83 HG1 ARG 83 -14.555 0.873 -2.404 622 HD2 ARG 83 HD2 ARG 83 -14.576 2.564 -3.924 623 HD3 ARG 83 HD1 ARG 83 -13.060 2.936 -3.103 624 HE ARG 83 HE ARG 83 -12.308 1.300 -5.136 625 HH11 ARG 83 HH11 ARG 83 -14.142 4.258 -4.955 626 HH12 ARG 83 HH12 ARG 83 -13.660 4.804 -6.527 627 HH21 ARG 83 HH21 ARG 83 -11.668 2.013 -7.208 628 HH22 ARG 83 HH22 ARG 83 -12.259 3.527 -7.807 629 H VAL 84 HN VAL 84 -9.742 -0.212 -3.064 630 HA VAL 84 HA VAL 84 -8.190 -0.376 -0.587 631 HB VAL 84 HB VAL 84 -6.682 -1.571 -2.745 632 HG11 VAL 84 HG11 VAL 84 -7.080 -1.850 0.052 633 HG12 VAL 84 HG12 VAL 84 -5.753 -2.437 -0.949 634 HG13 VAL 84 HG13 VAL 84 -7.189 -3.436 -0.712 635 HG21 VAL 84 HG21 VAL 84 -9.066 -2.269 -3.379 636 HG22 VAL 84 HG22 VAL 84 -9.016 -3.256 -1.915 637 HG23 VAL 84 HG23 VAL 84 -7.856 -3.543 -3.212 638 H LEU 85 HN LEU 85 -6.050 0.710 -0.812 639 HA LEU 85 HA LEU 85 -5.818 2.345 -3.245 640 HB2 LEU 85 HB2 LEU 85 -6.952 3.639 -1.407 641 HB3 LEU 85 HB1 LEU 85 -5.466 3.514 -0.492 642 HG LEU 85 HG LEU 85 -4.367 4.626 -2.560 643 HD11 LEU 85 HD11 LEU 85 -5.991 6.224 -3.667 644 HD12 LEU 85 HD12 LEU 85 -7.286 5.185 -3.052 645 HD13 LEU 85 HD13 LEU 85 -6.077 4.534 -4.175 646 HD21 LEU 85 HD21 LEU 85 -5.068 6.895 -1.695 647 HD22 LEU 85 HD22 LEU 85 -4.399 5.779 -0.504 648 HD23 LEU 85 HD23 LEU 85 -6.143 6.040 -0.585 649 H ARG 86 HN ARG 86 -3.735 3.380 -3.475 650 HA ARG 86 HA ARG 86 -1.523 2.350 -1.903 651 HB2 ARG 86 HB2 ARG 86 -0.787 0.820 -3.368 652 HB3 ARG 86 HB1 ARG 86 -2.241 1.050 -4.299 653 HG2 ARG 86 HG2 ARG 86 -1.158 2.727 -5.651 654 HG3 ARG 86 HG1 ARG 86 0.298 2.608 -4.663 655 HD2 ARG 86 HD2 ARG 86 0.555 0.264 -5.324 656 HD3 ARG 86 HD1 ARG 86 -0.903 0.381 -6.308 657 HE ARG 86 HE ARG 86 0.586 2.316 -7.367 658 HH11 ARG 86 HH11 ARG 86 1.405 -0.956 -6.494 659 HH12 ARG 86 HH12 ARG 86 2.617 -1.116 -7.720 660 HH21 ARG 86 HH21 ARG 86 2.179 2.114 -8.983 661 HH22 ARG 86 HH22 ARG 86 3.057 0.630 -9.136 662 H LEU 87 HN LEU 87 0.337 3.621 -2.084 663 HA LEU 87 HA LEU 87 0.373 5.769 -4.033 664 HB2 LEU 87 HB2 LEU 87 -0.920 6.602 -2.016 665 HB3 LEU 87 HB1 LEU 87 0.557 6.414 -1.101 666 HG LEU 87 HG LEU 87 1.637 8.174 -2.174 667 HD11 LEU 87 HD11 LEU 87 -0.314 7.647 -4.347 668 HD12 LEU 87 HD12 LEU 87 1.418 7.961 -4.436 669 HD13 LEU 87 HD13 LEU 87 0.292 9.291 -4.160 670 HD21 LEU 87 HD21 LEU 87 0.169 10.043 -1.870 671 HD22 LEU 87 HD22 LEU 87 -0.214 8.826 -0.651 672 HD23 LEU 87 HD23 LEU 87 -1.253 9.018 -2.064 673 H ASN 88 HN ASN 88 2.359 5.968 -4.779 674 HA ASN 88 HA ASN 88 4.514 4.679 -3.271 675 HB2 ASN 88 HB2 ASN 88 5.767 4.774 -5.428 676 HB3 ASN 88 HB1 ASN 88 4.267 3.856 -5.513 677 HD21 ASN 88 HD21 ASN 88 3.869 4.082 -7.642 678 HD22 ASN 88 HD22 ASN 88 3.534 5.593 -8.410 679 H GLU 89 HN GLU 89 6.773 5.721 -3.853 680 HA GLU 89 HA GLU 89 6.948 8.146 -2.455 681 HB2 GLU 89 HB2 GLU 89 9.244 8.046 -2.822 682 HB3 GLU 89 HB1 GLU 89 8.750 6.365 -2.897 683 HG2 GLU 89 HG2 GLU 89 9.103 8.071 -5.345 684 HG3 GLU 89 HG1 GLU 89 10.402 7.117 -4.634 685 H SER 90 HN SER 90 6.257 7.482 -5.745 686 HA SER 90 HA SER 90 7.012 10.108 -6.723 687 HB2 SER 90 HB2 SER 90 5.559 7.833 -8.103 688 HB3 SER 90 HB1 SER 90 6.119 9.311 -8.887 689 HG SER 90 HG SER 90 8.169 8.659 -8.697 690 H LEU 91 HN LEU 91 4.789 9.203 -4.749 691 HA LEU 91 HA LEU 91 2.768 9.891 -4.088 692 HB2 LEU 91 HB2 LEU 91 3.755 12.195 -5.680 693 HB3 LEU 91 HB1 LEU 91 2.200 12.255 -4.868 694 HG LEU 91 HG LEU 91 4.589 12.990 -3.780 695 HD11 LEU 91 HD11 LEU 91 2.174 12.032 -2.274 696 HD12 LEU 91 HD12 LEU 91 2.335 13.615 -3.036 697 HD13 LEU 91 HD13 LEU 91 3.389 13.172 -1.693 698 HD21 LEU 91 HD21 LEU 91 5.211 11.427 -2.063 699 HD22 LEU 91 HD22 LEU 91 5.310 10.625 -3.632 700 HD23 LEU 91 HD23 LEU 91 3.936 10.317 -2.568 701 H THR 92 HN THR 92 2.907 8.264 -6.465 702 HA THR 92 HA THR 92 0.515 9.104 -7.944 703 HB THR 92 HB THR 92 2.533 6.929 -8.517 704 HG1 THR 92 HG1 THR 92 3.411 8.838 -9.148 705 HG21 THR 92 HG21 THR 92 1.330 6.605 -10.638 706 HG22 THR 92 HG22 THR 92 0.107 7.763 -10.114 707 HG23 THR 92 HG23 THR 92 0.304 6.238 -9.249 708 H ALA 93 HN ALA 93 -1.345 8.340 -7.121 709 HA ALA 93 HA ALA 93 -1.244 5.811 -5.626 710 HB1 ALA 93 HB1 ALA 93 -2.949 6.539 -4.276 711 HB2 ALA 93 HB2 ALA 93 -3.582 7.644 -5.493 712 HB3 ALA 93 HB3 ALA 93 -2.107 8.055 -4.611 713 H VAL 94 HN VAL 94 -2.854 4.324 -5.770 714 HA VAL 94 HA VAL 94 -4.767 4.539 -7.958 715 HB VAL 94 HB VAL 94 -2.794 3.355 -8.932 716 HG11 VAL 94 HG11 VAL 94 -3.335 0.873 -7.458 717 HG12 VAL 94 HG12 VAL 94 -2.568 2.141 -6.501 718 HG13 VAL 94 HG13 VAL 94 -1.803 1.569 -7.984 719 HG21 VAL 94 HG21 VAL 94 -4.913 2.906 -9.918 720 HG22 VAL 94 HG22 VAL 94 -5.381 1.842 -8.588 721 HG23 VAL 94 HG23 VAL 94 -4.118 1.341 -9.715 722 H VAL 95 HN VAL 95 -6.618 3.774 -7.518 723 HA VAL 95 HA VAL 95 -7.003 2.356 -4.990 724 HB VAL 95 HB VAL 95 -8.127 4.445 -5.027 725 HG11 VAL 95 HG11 VAL 95 -7.987 4.755 -7.466 726 HG12 VAL 95 HG12 VAL 95 -9.601 5.128 -6.833 727 HG13 VAL 95 HG13 VAL 95 -9.316 3.602 -7.672 728 HG21 VAL 95 HG21 VAL 95 -10.446 3.818 -4.771 729 HG22 VAL 95 HG22 VAL 95 -9.428 2.519 -4.144 730 HG23 VAL 95 HG23 VAL 95 -10.192 2.358 -5.726 731 H CYS 96 HN CYS 96 -8.356 0.609 -4.863 732 HA CYS 96 HA CYS 96 -9.192 -0.624 -7.391 733 HB2 CYS 96 HB2 CYS 96 -7.908 -1.850 -4.958 734 HB3 CYS 96 HB1 CYS 96 -8.935 -2.815 -6.008 735 H GLY 97 HN GLY 97 -11.087 -1.922 -7.271 736 HA2 GLY 97 HA2 GLY 97 -12.908 -0.963 -5.172 737 HA3 GLY 97 HA1 GLY 97 -13.400 -1.437 -6.795 738 H LYS 98 HN LYS 98 -11.063 -3.487 -5.921 739 HA LYS 98 HA LYS 98 -12.623 -5.328 -4.329 740 HB2 LYS 98 HB2 LYS 98 -13.043 -5.516 -6.964 741 HB3 LYS 98 HB1 LYS 98 -11.564 -6.441 -6.875 742 HG2 LYS 98 HG2 LYS 98 -14.176 -7.005 -5.508 743 HG3 LYS 98 HG1 LYS 98 -13.371 -7.963 -6.752 744 HD2 LYS 98 HD2 LYS 98 -12.567 -9.185 -5.050 745 HD3 LYS 98 HD1 LYS 98 -11.481 -7.828 -4.750 746 HE2 LYS 98 HE2 LYS 98 -12.468 -8.229 -2.676 747 HE3 LYS 98 HE1 LYS 98 -13.380 -6.867 -3.331 748 HZ1 LYS 98 HZ1 LYS 98 -14.223 -9.715 -3.339 749 HZ2 LYS 98 HZ2 LYS 98 -15.083 -8.453 -4.067 750 HZ3 LYS 98 HZ3 LYS 98 -14.876 -8.475 -2.389 751 H MET 99 HN MET 99 -11.306 -6.380 -2.996 752 HA MET 99 HA MET 99 -8.481 -6.647 -3.757 753 HB2 MET 99 HB2 MET 99 -9.271 -5.008 -1.799 754 HB3 MET 99 HB1 MET 99 -9.219 -6.501 -0.880 755 HG2 MET 99 HG2 MET 99 -6.861 -6.453 -2.361 756 HG3 MET 99 HG1 MET 99 -7.068 -4.817 -1.730 757 HE1 MET 99 HE1 MET 99 -8.313 -8.146 -0.467 758 HE2 MET 99 HE2 MET 99 -7.188 -8.599 0.819 759 HE3 MET 99 HE3 MET 99 -6.656 -8.603 -0.865 760 H LYS 100 HN LYS 100 -8.206 -8.703 -4.242 761 HA LYS 100 HA LYS 100 -9.821 -10.747 -2.963 762 HB2 LYS 100 HB2 LYS 100 -7.757 -10.996 -5.154 763 HB3 LYS 100 HB1 LYS 100 -8.861 -12.262 -4.626 764 HG2 LYS 100 HG2 LYS 100 -10.764 -10.877 -5.316 765 HG3 LYS 100 HG1 LYS 100 -9.639 -9.637 -5.878 766 HD2 LYS 100 HD2 LYS 100 -8.667 -11.288 -7.445 767 HD3 LYS 100 HD1 LYS 100 -9.883 -12.458 -6.926 768 HE2 LYS 100 HE2 LYS 100 -10.419 -9.792 -8.237 769 HE3 LYS 100 HE1 LYS 100 -10.537 -11.372 -9.011 770 HZ1 LYS 100 HZ1 LYS 100 -12.193 -10.425 -6.734 771 HZ2 LYS 100 HZ2 LYS 100 -12.298 -11.954 -7.449 772 HZ3 LYS 100 HZ3 LYS 100 -12.706 -10.576 -8.340 773 H GLY 101 HN GLY 101 -6.310 -10.655 -3.681 774 HA2 GLY 101 HA2 GLY 101 -5.896 -12.453 -1.418 775 HA3 GLY 101 HA1 GLY 101 -4.712 -12.045 -2.644 776 H LYS 102 HN LYS 102 -3.290 -10.463 -2.282 777 HA LYS 102 HA LYS 102 -1.842 -9.394 -0.829 778 HB2 LYS 102 HB2 LYS 102 -3.439 -7.202 -0.129 779 HB3 LYS 102 HB1 LYS 102 -2.337 -7.335 -1.492 780 HG2 LYS 102 HG2 LYS 102 -4.959 -8.527 -1.936 781 HG3 LYS 102 HG1 LYS 102 -4.974 -6.787 -1.667 782 HD2 LYS 102 HD2 LYS 102 -4.336 -6.482 -3.769 783 HD3 LYS 102 HD1 LYS 102 -2.829 -7.332 -3.417 784 HE2 LYS 102 HE2 LYS 102 -3.986 -8.344 -5.304 785 HE3 LYS 102 HE1 LYS 102 -3.910 -9.457 -3.938 786 HZ1 LYS 102 HZ1 LYS 102 -6.190 -8.873 -3.385 787 HZ2 LYS 102 HZ2 LYS 102 -6.093 -9.471 -4.965 788 HZ3 LYS 102 HZ3 LYS 102 -6.262 -7.809 -4.699 789 H GLY 103 HN GLY 103 -4.545 -8.021 0.838 790 HA2 GLY 103 HA2 GLY 103 -4.752 -9.682 3.060 791 HA3 GLY 103 HA1 GLY 103 -3.476 -8.517 3.395 792 H SER 104 HN SER 104 -6.176 -8.832 4.605 793 HA SER 104 HA SER 104 -7.082 -6.093 4.082 794 HB2 SER 104 HB2 SER 104 -8.847 -8.494 4.464 795 HB3 SER 104 HB1 SER 104 -9.410 -6.834 4.326 796 HG SER 104 HG SER 104 -7.813 -7.335 2.269 797 H CYS 105 HN CYS 105 -7.816 -4.931 5.794 798 HA CYS 105 HA CYS 105 -6.860 -5.506 8.355 799 HB2 CYS 105 HB2 CYS 105 -9.264 -3.758 8.071 800 HB3 CYS 105 HB1 CYS 105 -7.802 -3.503 9.013 801 H THR 106 HN THR 106 -8.668 -5.311 10.268 802 HA THR 106 HA THR 106 -10.299 -6.349 11.472 803 HB THR 106 HB THR 106 -12.305 -6.941 10.523 804 HG1 THR 106 HG1 THR 106 -11.805 -7.620 7.994 805 HG21 THR 106 HG21 THR 106 -11.339 -5.608 8.025 806 HG22 THR 106 HG22 THR 106 -11.341 -4.708 9.544 807 HG23 THR 106 HG23 THR 106 -12.846 -5.379 8.916 808 H ASP 107 HN ASP 107 -8.373 -8.089 9.214 809 HA ASP 107 HA ASP 107 -8.789 -10.561 10.752 810 HB2 ASP 107 HB2 ASP 107 -7.966 -10.237 7.860 811 HB3 ASP 107 HB1 ASP 107 -8.015 -11.774 8.721 812 H GLY 108 HN GLY 108 -6.294 -9.034 8.697 813 HA2 GLY 108 HA2 GLY 108 -4.307 -8.669 10.514 814 HA3 GLY 108 HA1 GLY 108 -4.192 -10.381 10.142 815 H GLU 109 HN GLU 109 -4.312 -7.196 8.565 816 HA GLU 109 HA GLU 109 -3.356 -7.955 6.071 817 HB2 GLU 109 HB2 GLU 109 -3.881 -5.546 7.479 818 HB3 GLU 109 HB1 GLU 109 -2.329 -5.386 6.673 819 HG2 GLU 109 HG2 GLU 109 -4.739 -6.389 5.222 820 HG3 GLU 109 HG1 GLU 109 -4.453 -4.664 5.433 821 H GLU 110 HN GLU 110 -1.298 -7.982 5.136 822 HA GLU 110 HA GLU 110 0.991 -7.735 6.930 823 HB2 GLU 110 HB2 GLU 110 1.964 -9.824 5.970 824 HB3 GLU 110 HB1 GLU 110 0.561 -10.070 7.000 825 HG2 GLU 110 HG2 GLU 110 -0.853 -10.287 5.063 826 HG3 GLU 110 HG1 GLU 110 0.527 -9.995 4.010 827 H ILE 111 HN ILE 111 0.018 -8.378 3.580 828 HA ILE 111 HA ILE 111 1.737 -6.252 2.651 829 HB ILE 111 HB ILE 111 2.879 -7.671 0.967 830 HG12 ILE 111 HG12 ILE 111 3.121 -10.130 1.717 831 HG13 ILE 111 HG11 ILE 111 1.621 -9.856 2.597 832 HG21 ILE 111 HG21 ILE 111 3.659 -8.533 3.724 833 HG22 ILE 111 HG22 ILE 111 3.849 -6.864 3.179 834 HG23 ILE 111 HG23 ILE 111 4.692 -8.170 2.338 835 HD11 ILE 111 HD11 ILE 111 0.542 -10.359 0.738 836 HD12 ILE 111 HD12 ILE 111 2.052 -10.390 -0.178 837 HD13 ILE 111 HD13 ILE 111 1.179 -8.875 0.031 838 H PHE 112 HN PHE 112 1.765 -6.322 0.120 839 HA PHE 112 HA PHE 112 -1.021 -6.658 -0.732 840 HB2 PHE 112 HB2 PHE 112 -0.518 -4.376 -0.818 841 HB3 PHE 112 HB1 PHE 112 1.110 -4.657 -1.416 842 HD1 PHE 112 HD2 PHE 112 -2.340 -5.524 -2.550 843 HD2 PHE 112 HD1 PHE 112 1.449 -3.863 -3.524 844 HE1 PHE 112 HE2 PHE 112 -3.117 -5.103 -4.844 845 HE2 PHE 112 HE1 PHE 112 0.677 -3.444 -5.820 846 HZ PHE 112 HZ PHE 112 -1.608 -4.063 -6.485 847 H ARG 113 HN ARG 113 -0.432 -8.990 -1.228 848 HA ARG 113 HA ARG 113 0.705 -9.143 -3.943 849 HB2 ARG 113 HB2 ARG 113 1.900 -11.082 -3.477 850 HB3 ARG 113 HB1 ARG 113 2.120 -10.147 -2.012 851 HG2 ARG 113 HG2 ARG 113 0.241 -11.432 -0.997 852 HG3 ARG 113 HG1 ARG 113 0.259 -12.469 -2.428 853 HD2 ARG 113 HD2 ARG 113 2.846 -12.548 -1.796 854 HD3 ARG 113 HD1 ARG 113 2.179 -12.243 -0.197 855 HE ARG 113 HE ARG 113 0.791 -14.358 -1.474 856 HH11 ARG 113 HH11 ARG 113 3.793 -13.613 0.132 857 HH12 ARG 113 HH12 ARG 113 4.053 -15.238 0.675 858 HH21 ARG 113 HH21 ARG 113 1.126 -16.497 -0.765 859 HH22 ARG 113 HH22 ARG 113 2.538 -16.877 0.162 860 H GLY 114 HN GLY 114 -0.648 -9.982 -5.432 861 HA2 GLY 114 HA2 GLY 114 -2.121 -12.194 -5.480 862 HA3 GLY 114 HA1 GLY 114 -3.145 -11.168 -4.491 863 H ASN 115 HN ASN 115 -4.843 -10.729 -5.757 864 HA ASN 115 HA ASN 115 -4.335 -9.272 -8.234 865 HB2 ASN 115 HB2 ASN 115 -5.642 -11.908 -8.009 866 HB3 ASN 115 HB1 ASN 115 -6.476 -10.732 -9.017 867 HD21 ASN 115 HD21 ASN 115 -5.135 -13.210 -9.751 868 HD22 ASN 115 HD22 ASN 115 -3.924 -12.780 -10.905 869 H ASP 116 HN ASP 116 -5.254 -7.366 -7.868 870 HA ASP 116 HA ASP 116 -7.793 -7.233 -6.416 871 HB2 ASP 116 HB2 ASP 116 -7.119 -4.636 -7.026 872 HB3 ASP 116 HB1 ASP 116 -6.728 -5.445 -5.515 873 H ALA 117 HN ALA 117 -9.569 -5.991 -7.288 874 HA ALA 117 HA ALA 117 -9.540 -5.777 -10.228 875 HB1 ALA 117 HB1 ALA 117 -11.929 -6.688 -8.637 876 HB2 ALA 117 HB2 ALA 117 -10.768 -7.806 -9.364 877 HB3 ALA 117 HB3 ALA 117 -11.705 -6.720 -10.389 878 H GLU 118 HN GLU 118 -11.360 -4.442 -11.061 879 HA GLU 118 HA GLU 118 -12.358 -2.402 -11.215 880 HB2 GLU 118 HB2 GLU 118 -12.905 -3.085 -8.321 881 HB3 GLU 118 HB1 GLU 118 -13.664 -1.742 -9.173 882 HG2 GLU 118 HG2 GLU 118 -13.882 -4.636 -9.966 883 HG3 GLU 118 HG1 GLU 118 -15.085 -3.748 -9.033 884 H CYS 119 HN CYS 119 -9.781 -1.868 -11.226 885 HA CYS 119 HA CYS 119 -9.414 0.166 -9.118 886 HB2 CYS 119 HB2 CYS 119 -7.072 -1.023 -10.541 887 HB3 CYS 119 HB1 CYS 119 -7.148 -0.268 -8.960 888 H ARG 120 HN ARG 120 -8.623 2.103 -9.581 889 HA ARG 120 HA ARG 120 -7.920 2.829 -12.312 890 HB2 ARG 120 HB2 ARG 120 -9.473 4.553 -12.422 891 HB3 ARG 120 HB1 ARG 120 -10.389 3.247 -11.689 892 HG2 ARG 120 HG2 ARG 120 -10.936 4.664 -10.090 893 HG3 ARG 120 HG1 ARG 120 -9.264 4.547 -9.546 894 HD2 ARG 120 HD2 ARG 120 -9.636 6.846 -9.789 895 HD3 ARG 120 HD1 ARG 120 -8.748 6.364 -11.236 896 HE ARG 120 HE ARG 120 -11.584 6.305 -11.609 897 HH11 ARG 120 HH11 ARG 120 -8.776 8.370 -11.590 898 HH12 ARG 120 HH12 ARG 120 -9.476 9.549 -12.647 899 HH21 ARG 120 HH21 ARG 120 -12.514 7.855 -13.001 900 HH22 ARG 120 HH22 ARG 120 -11.599 9.256 -13.450 901 HA PRO 121 HA PRO 121 -4.834 5.245 -10.255 902 HB2 PRO 121 HB2 PRO 121 -4.551 7.412 -11.790 903 HB3 PRO 121 HB1 PRO 121 -4.089 5.802 -12.366 904 HG2 PRO 121 HG2 PRO 121 -6.638 7.299 -12.855 905 HG3 PRO 121 HG1 PRO 121 -5.583 6.497 -14.034 906 HD2 PRO 121 HD2 PRO 121 -7.789 5.291 -13.094 907 HD3 PRO 121 HD1 PRO 121 -6.301 4.376 -13.415 908 H PHE 122 HN PHE 122 -5.054 6.283 -8.399 909 HA PHE 122 HA PHE 122 -7.160 8.310 -8.140 910 HB2 PHE 122 HB2 PHE 122 -6.556 6.073 -6.579 911 HB3 PHE 122 HB1 PHE 122 -5.977 7.437 -5.641 912 HD1 PHE 122 HD2 PHE 122 -8.914 7.536 -7.903 913 HD2 PHE 122 HD1 PHE 122 -7.509 7.373 -3.896 914 HE1 PHE 122 HE2 PHE 122 -11.192 7.997 -7.089 915 HE2 PHE 122 HE1 PHE 122 -9.772 7.823 -3.070 916 HZ PHE 122 HZ PHE 122 -11.625 8.141 -4.668 917 H THR 123 HN THR 123 -6.755 10.307 -7.280 918 HA THR 123 HA THR 123 -3.943 10.951 -6.695 919 HB THR 123 HB THR 123 -4.267 13.153 -7.766 920 HG1 THR 123 HG1 THR 123 -6.721 12.034 -8.693 921 HG21 THR 123 HG21 THR 123 -4.113 12.393 -10.048 922 HG22 THR 123 HG22 THR 123 -4.876 10.861 -9.624 923 HG23 THR 123 HG23 THR 123 -3.277 11.254 -8.994 924 H GLY 124 HN GLY 124 -3.940 11.281 -4.573 925 HA2 GLY 124 HA2 GLY 124 -6.103 12.215 -3.036 926 HA3 GLY 124 HA1 GLY 124 -4.428 12.145 -2.516 Start of MODEL 3 1 H1 HIS 6 HT1 HIS 6 -21.846 4.607 -5.564 2 H2 HIS 6 HT2 HIS 6 -21.265 3.280 -6.434 3 H3 HIS 6 HT3 HIS 6 -21.441 4.779 -7.198 4 HA HIS 6 HA HIS 6 -19.132 4.338 -6.712 5 HB2 HIS 6 HB2 HIS 6 -18.671 6.420 -5.414 6 HB3 HIS 6 HB1 HIS 6 -19.814 6.652 -6.732 7 HD1 HIS 6 HD1 HIS 6 -22.292 7.120 -6.082 8 HD2 HIS 6 HD2 HIS 6 -19.686 6.854 -2.856 9 HE1 HIS 6 HE1 HIS 6 -23.554 8.057 -4.120 10 HE2 HIS 6 HE2 HIS 6 -21.983 7.822 -2.164 11 H ARG 7 HN ARG 7 -17.631 3.448 -5.423 12 HA ARG 7 HA ARG 7 -18.479 2.619 -2.729 13 HB2 ARG 7 HB2 ARG 7 -17.628 1.040 -4.785 14 HB3 ARG 7 HB1 ARG 7 -16.118 1.326 -3.935 15 HG2 ARG 7 HG2 ARG 7 -18.626 0.131 -2.773 16 HG3 ARG 7 HG1 ARG 7 -17.144 -0.729 -3.185 17 HD2 ARG 7 HD2 ARG 7 -17.008 -0.427 -0.871 18 HD3 ARG 7 HD1 ARG 7 -15.989 0.845 -1.524 19 HE ARG 7 HE ARG 7 -17.397 2.376 -0.598 20 HH11 ARG 7 HH11 ARG 7 -19.100 -0.653 -0.879 21 HH12 ARG 7 HH12 ARG 7 -20.506 -0.086 -0.041 22 HH21 ARG 7 HH21 ARG 7 -19.244 3.126 0.508 23 HH22 ARG 7 HH22 ARG 7 -20.588 2.060 0.746 24 H SER 8 HN SER 8 -17.079 5.168 -3.752 25 HA SER 8 HA SER 8 -14.428 5.295 -3.065 26 HB2 SER 8 HB2 SER 8 -16.540 7.391 -2.497 27 HB3 SER 8 HB1 SER 8 -14.798 7.680 -2.487 28 HG SER 8 HG SER 8 -14.808 6.996 -4.709 29 H ALA 9 HN ALA 9 -13.919 3.941 -1.381 30 HA ALA 9 HA ALA 9 -15.131 4.049 1.180 31 HB1 ALA 9 HB1 ALA 9 -12.424 2.981 0.382 32 HB2 ALA 9 HB2 ALA 9 -13.940 2.074 0.348 33 HB3 ALA 9 HB3 ALA 9 -13.277 2.633 1.886 34 H ASN 10 HN ASN 10 -13.029 4.153 2.959 35 HA ASN 10 HA ASN 10 -12.610 7.001 3.111 36 HB2 ASN 10 HB2 ASN 10 -13.154 5.477 5.090 37 HB3 ASN 10 HB1 ASN 10 -11.483 4.928 4.994 38 HD21 ASN 10 HD21 ASN 10 -12.492 8.193 4.274 39 HD22 ASN 10 HD22 ASN 10 -11.740 8.935 5.641 40 H LEU 11 HN LEU 11 -11.352 5.819 0.883 41 HA LEU 11 HA LEU 11 -8.675 5.137 1.170 42 HB2 LEU 11 HB2 LEU 11 -9.778 6.866 -1.035 43 HB3 LEU 11 HB1 LEU 11 -8.374 5.831 -1.101 44 HG LEU 11 HG LEU 11 -11.000 4.580 -0.559 45 HD11 LEU 11 HD11 LEU 11 -11.385 6.183 -2.391 46 HD12 LEU 11 HD12 LEU 11 -11.542 4.498 -2.901 47 HD13 LEU 11 HD13 LEU 11 -10.077 5.408 -3.296 48 HD21 LEU 11 HD21 LEU 11 -8.775 3.684 -2.362 49 HD22 LEU 11 HD22 LEU 11 -10.049 2.709 -1.622 50 HD23 LEU 11 HD23 LEU 11 -8.759 3.384 -0.624 51 H ARG 12 HN ARG 12 -10.285 8.161 1.396 52 HA ARG 12 HA ARG 12 -8.209 9.949 0.919 53 HB2 ARG 12 HB2 ARG 12 -10.043 10.764 3.058 54 HB3 ARG 12 HB1 ARG 12 -9.710 11.531 1.512 55 HG2 ARG 12 HG2 ARG 12 -11.599 9.238 2.021 56 HG3 ARG 12 HG1 ARG 12 -12.031 10.899 1.623 57 HD2 ARG 12 HD2 ARG 12 -10.463 9.052 -0.185 58 HD3 ARG 12 HD1 ARG 12 -12.206 9.316 -0.299 59 HE ARG 12 HE ARG 12 -10.753 11.769 -0.404 60 HH11 ARG 12 HH11 ARG 12 -11.710 9.003 -2.296 61 HH12 ARG 12 HH12 ARG 12 -11.646 9.851 -3.804 62 HH21 ARG 12 HH21 ARG 12 -10.668 12.893 -2.385 63 HH22 ARG 12 HH22 ARG 12 -11.054 12.062 -3.855 64 H ALA 13 HN ALA 13 -8.878 7.930 3.620 65 HA ALA 13 HA ALA 13 -7.058 9.249 5.428 66 HB1 ALA 13 HB1 ALA 13 -8.508 6.617 5.526 67 HB2 ALA 13 HB2 ALA 13 -8.866 8.085 6.437 68 HB3 ALA 13 HB3 ALA 13 -7.407 7.161 6.789 69 H ALA 14 HN ALA 14 -7.063 6.594 3.206 70 HA ALA 14 HA ALA 14 -4.494 5.571 3.947 71 HB1 ALA 14 HB1 ALA 14 -4.775 4.123 2.017 72 HB2 ALA 14 HB2 ALA 14 -6.118 5.111 1.439 73 HB3 ALA 14 HB3 ALA 14 -6.277 4.188 2.941 74 H HIS 15 HN HIS 15 -5.774 7.655 1.434 75 HA HIS 15 HA HIS 15 -3.658 7.885 -0.262 76 HB2 HIS 15 HB2 HIS 15 -6.017 9.422 0.430 77 HB3 HIS 15 HB1 HIS 15 -4.676 10.484 0.038 78 HD1 HIS 15 HD1 HIS 15 -3.372 9.485 -2.298 79 HD2 HIS 15 HD2 HIS 15 -7.448 8.869 -1.780 80 HE1 HIS 15 HE1 HIS 15 -4.283 9.039 -4.589 81 HE2 HIS 15 HE2 HIS 15 -6.767 8.945 -4.274 82 H ALA 16 HN ALA 16 -4.166 9.241 2.921 83 HA ALA 16 HA ALA 16 -1.756 10.844 2.822 84 HB1 ALA 16 HB1 ALA 16 -3.684 10.334 5.086 85 HB2 ALA 16 HB2 ALA 16 -3.655 11.747 4.028 86 HB3 ALA 16 HB3 ALA 16 -2.316 11.446 5.141 87 H ALA 17 HN ALA 17 -2.794 7.715 3.959 88 HA ALA 17 HA ALA 17 -0.583 7.267 5.703 89 HB1 ALA 17 HB1 ALA 17 -2.456 5.329 4.378 90 HB2 ALA 17 HB2 ALA 17 -2.595 5.998 6.005 91 HB3 ALA 17 HB3 ALA 17 -1.262 4.908 5.612 92 H LEU 18 HN LEU 18 -1.377 5.830 2.526 93 HA LEU 18 HA LEU 18 1.139 4.708 2.040 94 HB2 LEU 18 HB2 LEU 18 -0.859 5.789 0.041 95 HB3 LEU 18 HB1 LEU 18 0.477 4.731 -0.354 96 HG LEU 18 HG LEU 18 -1.053 3.105 -0.233 97 HD11 LEU 18 HD11 LEU 18 -1.456 2.128 1.929 98 HD12 LEU 18 HD12 LEU 18 -0.980 3.629 2.723 99 HD13 LEU 18 HD13 LEU 18 0.211 2.692 1.819 100 HD21 LEU 18 HD21 LEU 18 -3.260 3.430 0.365 101 HD22 LEU 18 HD22 LEU 18 -2.716 5.042 -0.123 102 HD23 LEU 18 HD23 LEU 18 -2.851 4.632 1.591 103 H LEU 19 HN LEU 19 -0.050 7.925 1.850 104 HA LEU 19 HA LEU 19 2.138 9.016 0.330 105 HB2 LEU 19 HB2 LEU 19 0.148 10.281 0.265 106 HB3 LEU 19 HB1 LEU 19 -0.101 10.151 1.990 107 HG LEU 19 HG LEU 19 0.599 12.421 0.959 108 HD11 LEU 19 HD11 LEU 19 2.073 11.343 3.347 109 HD12 LEU 19 HD12 LEU 19 0.400 11.898 3.357 110 HD13 LEU 19 HD13 LEU 19 1.704 13.035 3.008 111 HD21 LEU 19 HD21 LEU 19 3.353 11.338 1.373 112 HD22 LEU 19 HD22 LEU 19 2.854 12.825 0.565 113 HD23 LEU 19 HD23 LEU 19 2.577 11.261 -0.207 114 H GLU 20 HN GLU 20 1.142 8.869 3.692 115 HA GLU 20 HA GLU 20 3.294 10.106 4.927 116 HB2 GLU 20 HB2 GLU 20 1.253 9.508 6.130 117 HB3 GLU 20 HB1 GLU 20 1.603 7.802 5.895 118 HG2 GLU 20 HG2 GLU 20 2.229 8.228 8.089 119 HG3 GLU 20 HG1 GLU 20 3.744 8.217 7.184 120 H ASN 21 HN ASN 21 2.917 7.005 3.481 121 HA ASN 21 HA ASN 21 5.390 5.925 4.507 122 HB2 ASN 21 HB2 ASN 21 3.984 4.152 4.046 123 HB3 ASN 21 HB1 ASN 21 3.219 4.968 2.688 124 HD21 ASN 21 HD21 ASN 21 4.175 4.894 0.666 125 HD22 ASN 21 HD22 ASN 21 5.413 3.755 0.278 126 H ALA 22 HN ALA 22 4.069 7.081 1.454 127 HA ALA 22 HA ALA 22 6.207 6.822 -0.232 128 HB1 ALA 22 HB1 ALA 22 5.276 8.649 -1.530 129 HB2 ALA 22 HB2 ALA 22 4.344 9.193 -0.135 130 HB3 ALA 22 HB3 ALA 22 3.975 7.643 -0.893 131 H ARG 23 HN ARG 23 5.751 9.304 2.227 132 HA ARG 23 HA ARG 23 8.036 10.831 1.384 133 HB2 ARG 23 HB2 ARG 23 7.732 12.042 3.513 134 HB3 ARG 23 HB1 ARG 23 6.237 11.942 2.591 135 HG2 ARG 23 HG2 ARG 23 5.414 10.196 4.047 136 HG3 ARG 23 HG1 ARG 23 6.954 10.155 4.908 137 HD2 ARG 23 HD2 ARG 23 5.255 11.409 6.143 138 HD3 ARG 23 HD1 ARG 23 6.614 12.430 5.677 139 HE ARG 23 HE ARG 23 4.589 12.595 3.724 140 HH11 ARG 23 HH11 ARG 23 5.288 13.589 6.992 141 HH12 ARG 23 HH12 ARG 23 4.275 14.991 6.918 142 HH21 ARG 23 HH21 ARG 23 3.255 14.442 3.619 143 HH22 ARG 23 HH22 ARG 23 3.120 15.476 5.002 144 H PHE 24 HN PHE 24 7.328 8.556 4.000 145 HA PHE 24 HA PHE 24 9.898 8.543 5.135 146 HB2 PHE 24 HB2 PHE 24 7.427 7.019 5.383 147 HB3 PHE 24 HB1 PHE 24 8.848 6.009 5.596 148 HD1 PHE 24 HD2 PHE 24 10.611 6.832 7.284 149 HD2 PHE 24 HD1 PHE 24 6.621 8.299 7.124 150 HE1 PHE 24 HE2 PHE 24 10.820 7.640 9.599 151 HE2 PHE 24 HE1 PHE 24 6.822 9.111 9.437 152 HZ PHE 24 HZ PHE 24 8.924 8.780 10.678 153 H MET 25 HN MET 25 8.569 7.080 2.310 154 HA MET 25 HA MET 25 10.730 5.185 1.992 155 HB2 MET 25 HB2 MET 25 8.355 5.939 0.276 156 HB3 MET 25 HB1 MET 25 9.584 4.790 -0.240 157 HG2 MET 25 HG2 MET 25 7.300 4.140 1.087 158 HG3 MET 25 HG1 MET 25 8.752 3.143 1.019 159 HE1 MET 25 HE1 MET 25 10.766 3.619 2.823 160 HE2 MET 25 HE2 MET 25 9.794 2.212 3.283 161 HE3 MET 25 HE3 MET 25 10.264 3.400 4.499 162 H GLU 26 HN GLU 26 9.566 8.194 0.605 163 HA GLU 26 HA GLU 26 11.573 8.619 -1.287 164 HB2 GLU 26 HB2 GLU 26 9.612 10.270 0.205 165 HB3 GLU 26 HB1 GLU 26 11.008 11.142 -0.391 166 HG2 GLU 26 HG2 GLU 26 10.495 10.147 -2.657 167 HG3 GLU 26 HG1 GLU 26 8.963 9.625 -1.961 168 H GLN 27 HN GLN 27 11.451 8.724 2.127 169 HA GLN 27 HA GLN 27 13.943 10.138 2.483 170 HB2 GLN 27 HB2 GLN 27 11.934 8.937 4.330 171 HB3 GLN 27 HB1 GLN 27 13.501 9.444 4.924 172 HG2 GLN 27 HG2 GLN 27 11.534 11.197 3.490 173 HG3 GLN 27 HG1 GLN 27 11.765 11.143 5.235 174 HE21 GLN 27 HE21 GLN 27 13.656 11.995 6.127 175 HE22 GLN 27 HE22 GLN 27 14.673 13.078 5.245 176 H PHE 28 HN PHE 28 12.689 6.844 3.011 177 HA PHE 28 HA PHE 28 14.956 5.668 4.050 178 HB2 PHE 28 HB2 PHE 28 12.788 4.505 3.760 179 HB3 PHE 28 HB1 PHE 28 13.106 4.381 2.039 180 HD1 PHE 28 HD2 PHE 28 14.104 3.271 5.386 181 HD2 PHE 28 HD1 PHE 28 14.623 2.759 1.200 182 HE1 PHE 28 HE2 PHE 28 15.294 1.157 5.798 183 HE2 PHE 28 HE1 PHE 28 15.798 0.650 1.600 184 HZ PHE 28 HZ PHE 28 16.143 -0.153 3.899 185 H TYR 29 HN TYR 29 14.131 6.457 0.743 186 HA TYR 29 HA TYR 29 16.480 5.313 -0.432 187 HB2 TYR 29 HB2 TYR 29 14.458 5.676 -1.771 188 HB3 TYR 29 HB1 TYR 29 14.523 7.403 -1.447 189 HD1 TYR 29 HD1 TYR 29 15.996 4.646 -3.357 190 HD2 TYR 29 HD2 TYR 29 16.098 8.833 -2.613 191 HE1 TYR 29 HE1 TYR 29 17.341 4.966 -5.386 192 HE2 TYR 29 HE2 TYR 29 17.446 9.166 -4.643 193 HH TYR 29 HH TYR 29 17.847 6.766 -6.997 194 H ALA 30 HN ALA 30 15.453 8.452 0.781 195 HA ALA 30 HA ALA 30 17.733 9.922 -0.056 196 HB1 ALA 30 HB1 ALA 30 16.953 11.606 1.544 197 HB2 ALA 30 HB2 ALA 30 15.829 10.433 2.235 198 HB3 ALA 30 HB3 ALA 30 15.619 10.983 0.574 199 H LYS 31 HN LYS 31 17.243 7.576 2.328 200 HA LYS 31 HA LYS 31 19.589 8.400 3.887 201 HB2 LYS 31 HB2 LYS 31 17.536 6.279 4.542 202 HB3 LYS 31 HB1 LYS 31 18.786 6.896 5.611 203 HG2 LYS 31 HG2 LYS 31 17.624 8.765 6.118 204 HG3 LYS 31 HG1 LYS 31 16.887 8.876 4.519 205 HD2 LYS 31 HD2 LYS 31 15.251 7.253 5.044 206 HD3 LYS 31 HD1 LYS 31 16.133 6.723 6.481 207 HE2 LYS 31 HE2 LYS 31 14.773 9.386 6.091 208 HE3 LYS 31 HE1 LYS 31 14.202 8.061 7.103 209 HZ1 LYS 31 HZ1 LYS 31 16.719 9.588 7.501 210 HZ2 LYS 31 HZ2 LYS 31 16.191 8.303 8.466 211 HZ3 LYS 31 HZ3 LYS 31 15.307 9.744 8.422 212 H LYS 32 HN LYS 32 18.329 5.974 1.759 213 HA LYS 32 HA LYS 32 20.773 4.372 2.092 214 HB2 LYS 32 HB2 LYS 32 17.923 3.642 1.679 215 HB3 LYS 32 HB1 LYS 32 19.139 2.620 0.942 216 HG2 LYS 32 HG2 LYS 32 19.450 3.338 3.803 217 HG3 LYS 32 HG1 LYS 32 18.218 2.157 3.361 218 HD2 LYS 32 HD2 LYS 32 19.901 0.792 2.251 219 HD3 LYS 32 HD1 LYS 32 21.143 1.986 2.641 220 HE2 LYS 32 HE2 LYS 32 20.709 1.609 5.040 221 HE3 LYS 32 HE1 LYS 32 19.531 0.369 4.612 222 HZ1 LYS 32 HZ1 LYS 32 21.327 -0.859 3.508 223 HZ2 LYS 32 HZ2 LYS 32 21.628 -0.643 5.158 224 HZ3 LYS 32 HZ3 LYS 32 22.441 0.309 4.019 225 H GLY 33 HN GLY 33 18.320 4.137 -0.409 226 HA2 GLY 33 HA2 GLY 33 19.002 5.465 -2.550 227 HA3 GLY 33 HA1 GLY 33 20.413 4.419 -2.446 228 H SER 34 HN SER 34 18.162 2.553 -1.187 229 HA SER 34 HA SER 34 16.653 1.750 -3.490 230 HB2 SER 34 HB2 SER 34 18.772 -0.150 -2.448 231 HB3 SER 34 HB1 SER 34 17.600 -0.483 -3.724 232 HG SER 34 HG SER 34 18.810 0.559 -5.095 233 H PHE 35 HN PHE 35 15.516 -0.455 -2.910 234 HA PHE 35 HA PHE 35 14.796 -0.284 -0.063 235 HB2 PHE 35 HB2 PHE 35 13.152 -0.456 -2.494 236 HB3 PHE 35 HB1 PHE 35 12.623 -1.499 -1.175 237 HD1 PHE 35 HD1 PHE 35 14.057 1.938 -1.374 238 HD2 PHE 35 HD2 PHE 35 10.906 -0.561 0.008 239 HE1 PHE 35 HE1 PHE 35 13.018 3.870 -0.262 240 HE2 PHE 35 HE2 PHE 35 9.859 1.367 1.117 241 HZ PHE 35 HZ PHE 35 10.921 3.581 0.981 242 H LYS 36 HN LYS 36 14.012 -2.830 -2.445 243 HA LYS 36 HA LYS 36 14.708 -4.810 -0.494 244 HB2 LYS 36 HB2 LYS 36 12.900 -5.250 -2.024 245 HB3 LYS 36 HB1 LYS 36 13.976 -5.124 -3.408 246 HG2 LYS 36 HG2 LYS 36 15.026 -7.151 -2.916 247 HG3 LYS 36 HG1 LYS 36 14.443 -7.152 -1.250 248 HD2 LYS 36 HD2 LYS 36 12.987 -8.667 -2.130 249 HD3 LYS 36 HD1 LYS 36 12.093 -7.189 -2.484 250 HE2 LYS 36 HE2 LYS 36 13.196 -7.164 -4.734 251 HE3 LYS 36 HE1 LYS 36 13.854 -8.756 -4.359 252 HZ1 LYS 36 HZ1 LYS 36 11.849 -8.973 -5.645 253 HZ2 LYS 36 HZ2 LYS 36 10.978 -8.043 -4.533 254 HZ3 LYS 36 HZ3 LYS 36 11.570 -9.561 -4.083 255 H LEU 37 HN LEU 37 16.289 -6.484 -0.787 256 HA LEU 37 HA LEU 37 18.646 -5.498 -2.250 257 HB2 LEU 37 HB2 LEU 37 19.688 -7.037 -0.243 258 HB3 LEU 37 HB1 LEU 37 19.580 -5.288 -0.241 259 HG LEU 37 HG LEU 37 17.441 -7.075 0.937 260 HD11 LEU 37 HD11 LEU 37 19.699 -5.671 2.359 261 HD12 LEU 37 HD12 LEU 37 19.590 -7.409 2.084 262 HD13 LEU 37 HD13 LEU 37 18.401 -6.602 3.106 263 HD21 LEU 37 HD21 LEU 37 16.474 -4.984 0.545 264 HD22 LEU 37 HD22 LEU 37 17.968 -4.119 0.926 265 HD23 LEU 37 HD23 LEU 37 17.033 -4.872 2.218 266 H THR 38 HN THR 38 16.687 -8.275 -1.443 267 HA THR 38 HA THR 38 18.077 -9.792 -3.508 268 HB THR 38 HB THR 38 19.195 -10.371 -1.343 269 HG1 THR 38 HG1 THR 38 19.061 -11.903 -3.073 270 HG21 THR 38 HG21 THR 38 16.462 -11.471 -0.672 271 HG22 THR 38 HG22 THR 38 17.274 -10.128 0.136 272 HG23 THR 38 HG23 THR 38 17.936 -11.760 0.258 273 H SER 39 HN SER 39 16.924 -11.979 -3.809 274 HA SER 39 HA SER 39 14.138 -11.449 -4.151 275 HB2 SER 39 HB2 SER 39 15.588 -14.078 -4.519 276 HB3 SER 39 HB1 SER 39 14.017 -13.628 -5.184 277 HG SER 39 HG SER 39 14.965 -12.433 -6.673 278 H THR 40 HN THR 40 12.498 -12.063 -2.944 279 HA THR 40 HA THR 40 11.268 -12.888 -1.238 280 HB THR 40 HB THR 40 11.761 -14.966 -0.185 281 HG1 THR 40 HG1 THR 40 13.889 -14.851 0.378 282 HG21 THR 40 HG21 THR 40 12.811 -15.124 -3.008 283 HG22 THR 40 HG22 THR 40 11.103 -15.020 -2.576 284 HG23 THR 40 HG23 THR 40 12.056 -16.422 -2.083 285 H LYS 41 HN LYS 41 12.601 -10.661 -0.821 286 HA LYS 41 HA LYS 41 13.500 -10.827 1.983 287 HB2 LYS 41 HB2 LYS 41 15.081 -10.072 -0.034 288 HB3 LYS 41 HB1 LYS 41 14.293 -8.532 0.259 289 HG2 LYS 41 HG2 LYS 41 15.635 -10.107 2.434 290 HG3 LYS 41 HG1 LYS 41 16.492 -8.931 1.439 291 HD2 LYS 41 HD2 LYS 41 14.168 -8.425 3.291 292 HD3 LYS 41 HD1 LYS 41 15.827 -7.848 3.463 293 HE2 LYS 41 HE2 LYS 41 15.476 -6.650 1.255 294 HE3 LYS 41 HE1 LYS 41 13.762 -7.007 1.449 295 HZ1 LYS 41 HZ1 LYS 41 13.814 -5.827 3.577 296 HZ2 LYS 41 HZ2 LYS 41 14.258 -4.819 2.294 297 HZ3 LYS 41 HZ3 LYS 41 15.442 -5.438 3.331 298 H TRP 42 HN TRP 42 12.679 -9.146 3.384 299 HA TRP 42 HA TRP 42 10.494 -7.588 2.173 300 HB2 TRP 42 HB2 TRP 42 10.379 -9.540 4.353 301 HB3 TRP 42 HB1 TRP 42 9.586 -8.009 4.704 302 HD1 TRP 42 HD1 TRP 42 8.903 -8.026 1.276 303 HE1 TRP 42 HE1 TRP 42 6.717 -9.216 0.674 304 HE3 TRP 42 HE3 TRP 42 8.210 -10.703 5.582 305 HZ2 TRP 42 HZ2 TRP 42 4.930 -11.022 1.843 306 HZ3 TRP 42 HZ3 TRP 42 6.220 -12.145 5.754 307 HH2 TRP 42 HH2 TRP 42 4.613 -12.303 3.920 308 HA PRO 43 HA PRO 43 12.760 -4.362 4.489 309 HB2 PRO 43 HB2 PRO 43 11.882 -2.323 2.923 310 HB3 PRO 43 HB1 PRO 43 13.256 -3.338 2.465 311 HG2 PRO 43 HG2 PRO 43 10.401 -3.495 1.569 312 HG3 PRO 43 HG1 PRO 43 11.885 -3.625 0.605 313 HD2 PRO 43 HD2 PRO 43 10.470 -5.797 1.397 314 HD3 PRO 43 HD1 PRO 43 12.239 -5.823 1.211 315 H GLU 44 HN GLU 44 11.790 -3.560 6.322 316 HA GLU 44 HA GLU 44 9.058 -3.790 6.781 317 HB2 GLU 44 HB2 GLU 44 10.877 -3.642 8.511 318 HB3 GLU 44 HB1 GLU 44 10.835 -1.902 8.268 319 HG2 GLU 44 HG2 GLU 44 8.749 -1.673 9.191 320 HG3 GLU 44 HG1 GLU 44 8.301 -3.346 8.844 321 H LEU 45 HN LEU 45 7.370 -2.483 6.797 322 HA LEU 45 HA LEU 45 7.481 -0.095 5.126 323 HB2 LEU 45 HB2 LEU 45 5.063 -0.294 5.102 324 HB3 LEU 45 HB1 LEU 45 5.789 -1.847 4.731 325 HG LEU 45 HG LEU 45 5.211 -1.479 7.561 326 HD11 LEU 45 HD11 LEU 45 3.348 -0.270 7.000 327 HD12 LEU 45 HD12 LEU 45 2.760 -1.925 7.194 328 HD13 LEU 45 HD13 LEU 45 3.021 -1.264 5.579 329 HD21 LEU 45 HD21 LEU 45 4.034 -3.718 7.065 330 HD22 LEU 45 HD22 LEU 45 5.798 -3.620 7.039 331 HD23 LEU 45 HD23 LEU 45 4.888 -3.604 5.526 332 HA PRO 46 HA PRO 46 7.041 2.698 8.549 333 HB2 PRO 46 HB2 PRO 46 6.004 4.851 7.293 334 HB3 PRO 46 HB1 PRO 46 7.680 4.332 7.068 335 HG2 PRO 46 HG2 PRO 46 5.312 3.910 5.301 336 HG3 PRO 46 HG1 PRO 46 6.982 4.278 4.862 337 HD2 PRO 46 HD2 PRO 46 5.869 1.774 4.759 338 HD3 PRO 46 HD1 PRO 46 7.604 2.087 4.925 339 H VAL 47 HN VAL 47 4.191 3.493 6.547 340 HA VAL 47 HA VAL 47 2.552 3.575 8.928 341 HB VAL 47 HB VAL 47 2.279 5.248 7.050 342 HG11 VAL 47 HG11 VAL 47 0.937 4.596 5.129 343 HG12 VAL 47 HG12 VAL 47 0.968 2.922 5.676 344 HG13 VAL 47 HG13 VAL 47 2.465 3.716 5.174 345 HG21 VAL 47 HG21 VAL 47 0.591 4.941 8.785 346 HG22 VAL 47 HG22 VAL 47 -0.167 3.672 7.820 347 HG23 VAL 47 HG23 VAL 47 -0.142 5.334 7.230 348 H LYS 48 HN LYS 48 1.054 2.123 9.540 349 HA LYS 48 HA LYS 48 0.682 -0.235 7.824 350 HB2 LYS 48 HB2 LYS 48 0.524 -0.339 10.821 351 HB3 LYS 48 HB1 LYS 48 0.735 -1.667 9.690 352 HG2 LYS 48 HG2 LYS 48 2.909 -1.572 10.087 353 HG3 LYS 48 HG1 LYS 48 2.938 0.005 9.295 354 HD2 LYS 48 HD2 LYS 48 2.416 -0.481 12.229 355 HD3 LYS 48 HD1 LYS 48 3.937 0.088 11.537 356 HE2 LYS 48 HE2 LYS 48 2.758 2.067 10.653 357 HE3 LYS 48 HE1 LYS 48 1.275 1.509 11.432 358 HZ1 LYS 48 HZ1 LYS 48 2.435 3.183 12.755 359 HZ2 LYS 48 HZ2 LYS 48 3.801 2.189 12.845 360 HZ3 LYS 48 HZ3 LYS 48 2.354 1.703 13.575 361 H GLU 49 HN GLU 49 -0.783 2.419 8.985 362 HA GLU 49 HA GLU 49 -3.415 1.425 8.463 363 HB2 GLU 49 HB2 GLU 49 -3.014 0.594 10.773 364 HB3 GLU 49 HB1 GLU 49 -2.839 2.260 11.294 365 HG2 GLU 49 HG2 GLU 49 -5.123 2.730 10.593 366 HG3 GLU 49 HG1 GLU 49 -5.307 1.056 10.071 367 H ALA 50 HN ALA 50 -4.554 3.050 7.713 368 HA ALA 50 HA ALA 50 -3.711 5.808 8.058 369 HB1 ALA 50 HB1 ALA 50 -5.898 5.937 6.448 370 HB2 ALA 50 HB2 ALA 50 -5.308 4.312 6.085 371 HB3 ALA 50 HB3 ALA 50 -4.250 5.706 5.865 372 H GLY 51 HN GLY 51 -6.088 7.150 7.824 373 HA2 GLY 51 HA2 GLY 51 -7.096 6.996 10.487 374 HA3 GLY 51 HA1 GLY 51 -7.679 8.066 9.220 375 H GLY 52 HN GLY 52 -7.826 5.178 7.790 376 HA2 GLY 52 HA2 GLY 52 -10.140 4.024 9.047 377 HA3 GLY 52 HA1 GLY 52 -10.535 4.915 7.589 378 H PHE 53 HN PHE 53 -7.545 3.952 7.047 379 HA PHE 53 HA PHE 53 -8.296 1.341 5.911 380 HB2 PHE 53 HB2 PHE 53 -6.811 3.635 4.721 381 HB3 PHE 53 HB1 PHE 53 -6.210 2.027 4.361 382 HD1 PHE 53 HD1 PHE 53 -9.669 3.412 4.648 383 HD2 PHE 53 HD2 PHE 53 -6.776 1.458 2.231 384 HE1 PHE 53 HE1 PHE 53 -11.331 3.190 2.854 385 HE2 PHE 53 HE2 PHE 53 -8.432 1.219 0.431 386 HZ PHE 53 HZ PHE 53 -10.715 2.089 0.741 387 H CYS 54 HN CYS 54 -6.325 -0.087 5.609 388 HA CYS 54 HA CYS 54 -4.343 0.450 7.698 389 HB2 CYS 54 HB2 CYS 54 -6.176 -1.700 7.548 390 HB3 CYS 54 HB1 CYS 54 -4.560 -2.344 7.330 391 H ILE 55 HN ILE 55 -2.246 0.004 7.204 392 HA ILE 55 HA ILE 55 -1.790 -0.671 4.384 393 HB ILE 55 HB ILE 55 -0.202 1.178 6.144 394 HG12 ILE 55 HG12 ILE 55 -1.115 2.839 4.364 395 HG13 ILE 55 HG11 ILE 55 -2.326 1.597 4.077 396 HG21 ILE 55 HG21 ILE 55 0.147 0.301 3.300 397 HG22 ILE 55 HG22 ILE 55 1.334 0.326 4.607 398 HG23 ILE 55 HG23 ILE 55 0.787 1.839 3.882 399 HD11 ILE 55 HD11 ILE 55 -2.999 3.418 5.634 400 HD12 ILE 55 HD12 ILE 55 -1.808 2.790 6.776 401 HD13 ILE 55 HD13 ILE 55 -3.167 1.783 6.270 402 H ARG 56 HN ARG 56 0.025 -1.741 3.764 403 HA ARG 56 HA ARG 56 1.871 -2.865 5.707 404 HB2 ARG 56 HB2 ARG 56 -0.223 -4.483 4.307 405 HB3 ARG 56 HB1 ARG 56 1.373 -5.191 4.513 406 HG2 ARG 56 HG2 ARG 56 -0.384 -4.143 6.720 407 HG3 ARG 56 HG1 ARG 56 -0.171 -5.838 6.287 408 HD2 ARG 56 HD2 ARG 56 2.214 -5.666 6.817 409 HD3 ARG 56 HD1 ARG 56 1.991 -3.975 7.261 410 HE ARG 56 HE ARG 56 0.299 -5.788 8.715 411 HH11 ARG 56 HH11 ARG 56 3.434 -4.271 8.594 412 HH12 ARG 56 HH12 ARG 56 3.716 -4.427 10.295 413 HH21 ARG 56 HH21 ARG 56 0.663 -5.996 10.956 414 HH22 ARG 56 HH22 ARG 56 2.142 -5.406 11.638 415 H MET 57 HN MET 57 3.738 -3.830 4.684 416 HA MET 57 HA MET 57 4.618 -2.413 2.445 417 HB2 MET 57 HB2 MET 57 5.998 -3.634 4.240 418 HB3 MET 57 HB1 MET 57 5.791 -5.060 3.234 419 HG2 MET 57 HG2 MET 57 6.613 -3.138 1.447 420 HG3 MET 57 HG1 MET 57 7.547 -2.778 2.900 421 HE1 MET 57 HE1 MET 57 7.556 -6.759 0.626 422 HE2 MET 57 HE2 MET 57 6.413 -5.436 0.420 423 HE3 MET 57 HE3 MET 57 6.326 -6.463 1.853 424 H SER 58 HN SER 58 5.192 -3.154 0.325 425 HA SER 58 HA SER 58 3.202 -4.175 -1.188 426 HB2 SER 58 HB2 SER 58 5.042 -3.137 -2.282 427 HB3 SER 58 HB1 SER 58 6.180 -4.339 -1.647 428 HG SER 58 HG SER 58 4.251 -4.618 -3.680 429 H GLY 59 HN GLY 59 3.377 -6.239 -2.593 430 HA2 GLY 59 HA2 GLY 59 2.428 -8.365 -1.220 431 HA3 GLY 59 HA1 GLY 59 3.164 -8.502 -2.794 432 H GLN 60 HN GLN 60 4.031 -10.443 -2.598 433 HA GLN 60 HA GLN 60 5.335 -11.470 -0.324 434 HB2 GLN 60 HB2 GLN 60 6.275 -13.112 -2.130 435 HB3 GLN 60 HB1 GLN 60 4.575 -13.132 -1.700 436 HG2 GLN 60 HG2 GLN 60 4.034 -11.798 -3.639 437 HG3 GLN 60 HG1 GLN 60 5.742 -11.689 -4.059 438 HE21 GLN 60 HE21 GLN 60 3.518 -12.759 -5.603 439 HE22 GLN 60 HE22 GLN 60 3.922 -14.401 -5.959 440 H ALA 61 HN ALA 61 7.450 -11.733 0.189 441 HA ALA 61 HA ALA 61 9.256 -9.728 -0.282 442 HB1 ALA 61 HB1 ALA 61 10.108 -12.551 0.268 443 HB2 ALA 61 HB2 ALA 61 9.327 -11.536 1.483 444 HB3 ALA 61 HB3 ALA 61 10.874 -11.049 0.786 445 H LYS 62 HN LYS 62 8.499 -12.384 -2.368 446 HA LYS 62 HA LYS 62 10.954 -12.212 -3.871 447 HB2 LYS 62 HB2 LYS 62 9.824 -14.341 -3.739 448 HB3 LYS 62 HB1 LYS 62 8.362 -13.645 -4.409 449 HG2 LYS 62 HG2 LYS 62 9.129 -14.532 -6.326 450 HG3 LYS 62 HG1 LYS 62 10.110 -13.066 -6.378 451 HD2 LYS 62 HD2 LYS 62 11.591 -14.865 -6.784 452 HD3 LYS 62 HD1 LYS 62 11.881 -14.353 -5.121 453 HE2 LYS 62 HE2 LYS 62 11.812 -16.788 -5.301 454 HE3 LYS 62 HE1 LYS 62 10.491 -16.181 -4.303 455 HZ1 LYS 62 HZ1 LYS 62 10.275 -16.992 -7.153 456 HZ2 LYS 62 HZ2 LYS 62 9.006 -16.410 -6.198 457 HZ3 LYS 62 HZ3 LYS 62 9.732 -17.892 -5.826 458 H GLY 63 HN GLY 63 7.740 -10.901 -4.026 459 HA2 GLY 63 HA2 GLY 63 8.403 -9.453 -6.502 460 HA3 GLY 63 HA1 GLY 63 6.770 -9.840 -5.983 461 H ILE 64 HN ILE 64 9.622 -8.303 -4.562 462 HA ILE 64 HA ILE 64 7.835 -6.238 -3.504 463 HB ILE 64 HB ILE 64 10.460 -7.260 -2.471 464 HG12 ILE 64 HG12 ILE 64 8.883 -8.721 -1.706 465 HG13 ILE 64 HG11 ILE 64 8.801 -7.503 -0.438 466 HG21 ILE 64 HG21 ILE 64 10.577 -4.958 -2.008 467 HG22 ILE 64 HG22 ILE 64 9.977 -5.717 -0.531 468 HG23 ILE 64 HG23 ILE 64 8.860 -4.875 -1.608 469 HD11 ILE 64 HD11 ILE 64 6.588 -7.902 -0.922 470 HD12 ILE 64 HD12 ILE 64 6.884 -8.057 -2.662 471 HD13 ILE 64 HD13 ILE 64 6.936 -6.464 -1.886 472 H LEU 65 HN LEU 65 8.204 -4.209 -3.570 473 HA LEU 65 HA LEU 65 8.848 -2.848 -5.691 474 HB2 LEU 65 HB2 LEU 65 9.814 -1.111 -3.902 475 HB3 LEU 65 HB1 LEU 65 8.107 -1.420 -4.137 476 HG LEU 65 HG LEU 65 8.460 -3.214 -2.309 477 HD11 LEU 65 HD11 LEU 65 10.873 -3.141 -2.272 478 HD12 LEU 65 HD12 LEU 65 10.248 -2.576 -0.720 479 HD13 LEU 65 HD13 LEU 65 10.838 -1.414 -1.911 480 HD21 LEU 65 HD21 LEU 65 7.440 -0.738 -2.298 481 HD22 LEU 65 HD22 LEU 65 8.767 -0.517 -1.151 482 HD23 LEU 65 HD23 LEU 65 7.535 -1.747 -0.852 483 H GLU 66 HN GLU 66 10.508 -1.880 -6.743 484 HA GLU 66 HA GLU 66 13.225 -2.029 -5.753 485 HB2 GLU 66 HB2 GLU 66 12.368 -3.623 -8.175 486 HB3 GLU 66 HB1 GLU 66 14.041 -3.194 -7.846 487 HG2 GLU 66 HG2 GLU 66 13.659 -4.335 -5.567 488 HG3 GLU 66 HG1 GLU 66 12.241 -5.046 -6.341 489 H GLY 67 HN GLY 67 13.877 -0.016 -6.128 490 HA2 GLY 67 HA2 GLY 67 14.306 1.950 -7.274 491 HA3 GLY 67 HA1 GLY 67 13.803 1.129 -8.754 492 H LYS 68 HN LYS 68 11.510 0.557 -6.561 493 HA LYS 68 HA LYS 68 9.919 2.971 -6.971 494 HB2 LYS 68 HB2 LYS 68 8.120 1.816 -7.944 495 HB3 LYS 68 HB1 LYS 68 9.519 1.097 -8.728 496 HG2 LYS 68 HG2 LYS 68 8.864 -0.897 -8.080 497 HG3 LYS 68 HG1 LYS 68 9.016 -0.407 -6.395 498 HD2 LYS 68 HD2 LYS 68 6.692 0.645 -6.701 499 HD3 LYS 68 HD1 LYS 68 6.589 -0.354 -8.155 500 HE2 LYS 68 HE2 LYS 68 7.264 -2.298 -6.631 501 HE3 LYS 68 HE1 LYS 68 6.857 -1.219 -5.297 502 HZ1 LYS 68 HZ1 LYS 68 4.968 -2.575 -5.831 503 HZ2 LYS 68 HZ2 LYS 68 5.025 -2.111 -7.457 504 HZ3 LYS 68 HZ3 LYS 68 4.626 -0.976 -6.267 505 H PHE 69 HN PHE 69 8.771 3.460 -5.092 506 HA PHE 69 HA PHE 69 8.608 1.281 -3.112 507 HB2 PHE 69 HB2 PHE 69 8.534 4.062 -2.090 508 HB3 PHE 69 HB1 PHE 69 9.281 2.623 -1.405 509 HD1 PHE 69 HD2 PHE 69 11.127 1.796 -3.536 510 HD2 PHE 69 HD1 PHE 69 10.159 5.672 -2.092 511 HE1 PHE 69 HE2 PHE 69 13.322 2.615 -4.281 512 HE2 PHE 69 HE1 PHE 69 12.352 6.503 -2.832 513 HZ PHE 69 HZ PHE 69 13.935 4.971 -3.931 514 H THR 70 HN THR 70 6.580 0.643 -2.710 515 HA THR 70 HA THR 70 4.436 2.640 -2.680 516 HB THR 70 HB THR 70 3.942 0.099 -4.195 517 HG1 THR 70 HG1 THR 70 4.828 0.918 -5.985 518 HG21 THR 70 HG21 THR 70 2.689 2.863 -4.111 519 HG22 THR 70 HG22 THR 70 1.945 1.317 -3.690 520 HG23 THR 70 HG23 THR 70 2.309 1.691 -5.372 521 H LEU 71 HN LEU 71 2.774 2.192 -1.340 522 HA LEU 71 HA LEU 71 2.691 -0.459 -0.068 523 HB2 LEU 71 HB2 LEU 71 2.305 2.239 1.212 524 HB3 LEU 71 HB1 LEU 71 1.853 0.733 1.972 525 HG LEU 71 HG LEU 71 4.538 1.894 1.524 526 HD11 LEU 71 HD11 LEU 71 3.636 2.179 3.681 527 HD12 LEU 71 HD12 LEU 71 4.830 0.889 3.815 528 HD13 LEU 71 HD13 LEU 71 3.113 0.497 3.762 529 HD21 LEU 71 HD21 LEU 71 5.433 -0.444 2.151 530 HD22 LEU 71 HD22 LEU 71 5.033 -0.109 0.469 531 HD23 LEU 71 HD23 LEU 71 3.913 -1.030 1.473 532 H LYS 72 HN LYS 72 0.622 -1.276 0.376 533 HA LYS 72 HA LYS 72 -1.556 0.297 -0.823 534 HB2 LYS 72 HB2 LYS 72 -1.396 -1.748 -2.025 535 HB3 LYS 72 HB1 LYS 72 -1.235 -2.688 -0.544 536 HG2 LYS 72 HG2 LYS 72 -3.476 -2.530 -0.031 537 HG3 LYS 72 HG1 LYS 72 -3.701 -1.065 -0.985 538 HD2 LYS 72 HD2 LYS 72 -3.009 -3.654 -2.315 539 HD3 LYS 72 HD1 LYS 72 -4.668 -3.314 -1.845 540 HE2 LYS 72 HE2 LYS 72 -4.277 -2.684 -4.164 541 HE3 LYS 72 HE1 LYS 72 -4.634 -1.269 -3.177 542 HZ1 LYS 72 HZ1 LYS 72 -2.310 -0.722 -3.120 543 HZ2 LYS 72 HZ2 LYS 72 -2.785 -0.915 -4.732 544 HZ3 LYS 72 HZ3 LYS 72 -1.904 -2.134 -3.960 545 H ALA 73 HN ALA 73 -3.427 0.571 0.191 546 HA ALA 73 HA ALA 73 -3.476 -0.117 3.048 547 HB1 ALA 73 HB1 ALA 73 -4.571 1.956 3.445 548 HB2 ALA 73 HB2 ALA 73 -4.875 2.191 1.720 549 HB3 ALA 73 HB3 ALA 73 -3.230 2.306 2.341 550 H VAL 74 HN VAL 74 -5.434 -0.807 3.916 551 HA VAL 74 HA VAL 74 -7.593 -1.390 2.019 552 HB VAL 74 HB VAL 74 -6.270 -3.264 3.957 553 HG11 VAL 74 HG11 VAL 74 -9.045 -3.407 2.804 554 HG12 VAL 74 HG12 VAL 74 -8.543 -3.596 4.484 555 HG13 VAL 74 HG13 VAL 74 -8.167 -4.850 3.304 556 HG21 VAL 74 HG21 VAL 74 -5.585 -2.985 1.509 557 HG22 VAL 74 HG22 VAL 74 -7.109 -3.792 1.123 558 HG23 VAL 74 HG23 VAL 74 -5.888 -4.623 2.095 559 H ALA 75 HN ALA 75 -9.539 -0.818 2.714 560 HA ALA 75 HA ALA 75 -9.982 0.786 4.888 561 HB1 ALA 75 HB1 ALA 75 -11.914 -1.028 3.459 562 HB2 ALA 75 HB2 ALA 75 -11.569 0.672 3.112 563 HB3 ALA 75 HB3 ALA 75 -12.390 0.228 4.608 564 H LEU 76 HN LEU 76 -10.488 0.550 6.960 565 HA LEU 76 HA LEU 76 -9.974 -1.921 8.258 566 HB2 LEU 76 HB2 LEU 76 -11.211 0.599 9.369 567 HB3 LEU 76 HB1 LEU 76 -10.460 -0.691 10.299 568 HG LEU 76 HG LEU 76 -8.984 0.954 8.255 569 HD11 LEU 76 HD11 LEU 76 -9.704 2.454 10.004 570 HD12 LEU 76 HD12 LEU 76 -7.969 2.151 10.135 571 HD13 LEU 76 HD13 LEU 76 -9.092 1.349 11.239 572 HD21 LEU 76 HD21 LEU 76 -8.046 -0.904 10.433 573 HD22 LEU 76 HD22 LEU 76 -6.999 0.065 9.396 574 HD23 LEU 76 HD23 LEU 76 -7.997 -1.210 8.697 575 H ASP 77 HN ASP 77 -12.735 -0.079 7.285 576 HA ASP 77 HA ASP 77 -14.592 -2.139 8.241 577 HB2 ASP 77 HB2 ASP 77 -15.406 0.385 6.808 578 HB3 ASP 77 HB1 ASP 77 -16.352 -0.602 7.914 579 H ARG 78 HN ARG 78 -12.646 -2.431 6.035 580 HA ARG 78 HA ARG 78 -13.603 -2.205 3.501 581 HB2 ARG 78 HB2 ARG 78 -12.095 -3.876 2.863 582 HB3 ARG 78 HB1 ARG 78 -11.369 -2.981 4.176 583 HG2 ARG 78 HG2 ARG 78 -11.340 -4.765 5.550 584 HG3 ARG 78 HG1 ARG 78 -12.874 -5.398 4.927 585 HD2 ARG 78 HD2 ARG 78 -11.521 -5.720 2.753 586 HD3 ARG 78 HD1 ARG 78 -10.127 -5.670 3.830 587 HE ARG 78 HE ARG 78 -12.016 -7.493 4.847 588 HH11 ARG 78 HH11 ARG 78 -9.763 -7.151 2.209 589 HH12 ARG 78 HH12 ARG 78 -9.514 -8.856 2.033 590 HH21 ARG 78 HH21 ARG 78 -11.694 -9.738 4.621 591 HH22 ARG 78 HH22 ARG 78 -10.612 -10.326 3.403 592 H GLU 79 HN GLU 79 -14.669 -4.543 5.890 593 HA GLU 79 HA GLU 79 -15.885 -6.431 4.267 594 HB2 GLU 79 HB2 GLU 79 -17.227 -5.302 6.721 595 HB3 GLU 79 HB1 GLU 79 -17.316 -6.946 6.100 596 HG2 GLU 79 HG2 GLU 79 -14.949 -7.269 6.667 597 HG3 GLU 79 HG1 GLU 79 -14.904 -5.637 7.333 598 H ALA 80 HN ALA 80 -16.632 -3.192 4.938 599 HA ALA 80 HA ALA 80 -19.102 -3.219 3.386 600 HB1 ALA 80 HB1 ALA 80 -19.328 -0.891 4.393 601 HB2 ALA 80 HB2 ALA 80 -17.954 -1.323 5.421 602 HB3 ALA 80 HB3 ALA 80 -19.454 -2.252 5.510 603 H GLU 81 HN GLU 81 -15.812 -2.141 3.429 604 HA GLU 81 HA GLU 81 -16.246 -0.639 0.922 605 HB2 GLU 81 HB2 GLU 81 -14.089 -0.020 2.927 606 HB3 GLU 81 HB1 GLU 81 -14.615 0.950 1.562 607 HG2 GLU 81 HG2 GLU 81 -16.282 0.364 3.992 608 HG3 GLU 81 HG1 GLU 81 -15.347 1.836 3.736 609 HA PRO 82 HA PRO 82 -13.326 -4.175 0.030 610 HB2 PRO 82 HB2 PRO 82 -14.088 -4.232 -2.631 611 HB3 PRO 82 HB1 PRO 82 -14.800 -5.228 -1.358 612 HG2 PRO 82 HG2 PRO 82 -15.790 -2.658 -2.531 613 HG3 PRO 82 HG1 PRO 82 -16.704 -4.112 -2.078 614 HD2 PRO 82 HD2 PRO 82 -16.686 -1.943 -0.521 615 HD3 PRO 82 HD1 PRO 82 -16.669 -3.571 0.181 616 H ARG 83 HN ARG 83 -13.812 -0.972 -1.081 617 HA ARG 83 HA ARG 83 -11.892 -0.736 -3.090 618 HB2 ARG 83 HB2 ARG 83 -13.169 1.181 -1.211 619 HB3 ARG 83 HB1 ARG 83 -11.748 1.710 -2.100 620 HG2 ARG 83 HG2 ARG 83 -13.108 0.677 -4.130 621 HG3 ARG 83 HG1 ARG 83 -14.467 1.070 -3.075 622 HD2 ARG 83 HD2 ARG 83 -13.816 3.367 -2.981 623 HD3 ARG 83 HD1 ARG 83 -12.305 3.028 -3.825 624 HE ARG 83 HE ARG 83 -14.598 2.288 -5.358 625 HH11 ARG 83 HH11 ARG 83 -12.594 4.983 -4.427 626 HH12 ARG 83 HH12 ARG 83 -12.958 5.908 -5.845 627 HH21 ARG 83 HH21 ARG 83 -15.080 3.495 -7.226 628 HH22 ARG 83 HH22 ARG 83 -14.374 5.063 -7.436 629 H VAL 84 HN VAL 84 -9.811 -0.531 -3.176 630 HA VAL 84 HA VAL 84 -8.256 -0.366 -0.674 631 HB VAL 84 HB VAL 84 -6.733 -1.568 -2.805 632 HG11 VAL 84 HG11 VAL 84 -6.968 -3.472 -0.925 633 HG12 VAL 84 HG12 VAL 84 -7.411 -2.036 0.002 634 HG13 VAL 84 HG13 VAL 84 -5.855 -2.107 -0.824 635 HG21 VAL 84 HG21 VAL 84 -7.885 -3.538 -3.295 636 HG22 VAL 84 HG22 VAL 84 -9.127 -2.289 -3.434 637 HG23 VAL 84 HG23 VAL 84 -9.038 -3.288 -1.981 638 H LEU 85 HN LEU 85 -5.970 0.513 -1.084 639 HA LEU 85 HA LEU 85 -5.816 2.227 -3.452 640 HB2 LEU 85 HB2 LEU 85 -6.936 3.526 -1.616 641 HB3 LEU 85 HB1 LEU 85 -5.455 3.389 -0.694 642 HG LEU 85 HG LEU 85 -4.343 4.519 -2.751 643 HD11 LEU 85 HD11 LEU 85 -7.252 5.167 -3.223 644 HD12 LEU 85 HD12 LEU 85 -6.103 4.416 -4.344 645 HD13 LEU 85 HD13 LEU 85 -5.910 6.110 -3.885 646 HD21 LEU 85 HD21 LEU 85 -4.373 5.660 -0.693 647 HD22 LEU 85 HD22 LEU 85 -6.119 5.906 -0.758 648 HD23 LEU 85 HD23 LEU 85 -5.061 6.783 -1.866 649 H ARG 86 HN ARG 86 -3.720 3.283 -3.673 650 HA ARG 86 HA ARG 86 -1.506 2.215 -2.129 651 HB2 ARG 86 HB2 ARG 86 -0.757 0.729 -3.637 652 HB3 ARG 86 HB1 ARG 86 -2.207 0.981 -4.571 653 HG2 ARG 86 HG2 ARG 86 -1.135 2.703 -5.866 654 HG3 ARG 86 HG1 ARG 86 0.312 2.586 -4.866 655 HD2 ARG 86 HD2 ARG 86 0.704 0.325 -5.624 656 HD3 ARG 86 HD1 ARG 86 -0.809 0.332 -6.529 657 HE ARG 86 HE ARG 86 1.002 2.419 -7.309 658 HH11 ARG 86 HH11 ARG 86 0.127 -0.923 -7.786 659 HH12 ARG 86 HH12 ARG 86 0.812 -1.006 -9.376 660 HH21 ARG 86 HH21 ARG 86 1.902 2.315 -9.398 661 HH22 ARG 86 HH22 ARG 86 1.822 0.833 -10.290 662 H LEU 87 HN LEU 87 0.344 3.504 -2.278 663 HA LEU 87 HA LEU 87 0.369 5.697 -4.168 664 HB2 LEU 87 HB2 LEU 87 -0.928 6.476 -2.136 665 HB3 LEU 87 HB1 LEU 87 0.547 6.263 -1.221 666 HG LEU 87 HG LEU 87 1.626 8.056 -2.230 667 HD11 LEU 87 HD11 LEU 87 1.424 7.840 -4.506 668 HD12 LEU 87 HD12 LEU 87 0.358 9.219 -4.217 669 HD13 LEU 87 HD13 LEU 87 -0.322 7.607 -4.436 670 HD21 LEU 87 HD21 LEU 87 0.133 9.915 -1.925 671 HD22 LEU 87 HD22 LEU 87 -0.239 8.679 -0.721 672 HD23 LEU 87 HD23 LEU 87 -1.274 8.873 -2.137 673 H ASN 88 HN ASN 88 2.354 5.915 -4.908 674 HA ASN 88 HA ASN 88 4.507 4.610 -3.416 675 HB2 ASN 88 HB2 ASN 88 5.768 4.959 -5.642 676 HB3 ASN 88 HB1 ASN 88 4.473 3.769 -5.590 677 HD21 ASN 88 HD21 ASN 88 5.260 7.060 -6.526 678 HD22 ASN 88 HD22 ASN 88 4.063 7.188 -7.764 679 H GLU 89 HN GLU 89 6.766 5.678 -3.911 680 HA GLU 89 HA GLU 89 6.901 8.050 -2.431 681 HB2 GLU 89 HB2 GLU 89 9.200 7.981 -2.763 682 HB3 GLU 89 HB1 GLU 89 8.723 6.302 -2.926 683 HG2 GLU 89 HG2 GLU 89 9.111 8.129 -5.279 684 HG3 GLU 89 HG1 GLU 89 10.398 7.141 -4.596 685 H SER 90 HN SER 90 6.336 7.521 -5.791 686 HA SER 90 HA SER 90 7.036 10.229 -6.571 687 HB2 SER 90 HB2 SER 90 5.774 8.002 -8.194 688 HB3 SER 90 HB1 SER 90 6.348 9.541 -8.834 689 HG SER 90 HG SER 90 7.753 7.449 -8.743 690 H LEU 91 HN LEU 91 4.787 9.183 -4.759 691 HA LEU 91 HA LEU 91 2.726 9.786 -4.145 692 HB2 LEU 91 HB2 LEU 91 3.651 12.146 -5.688 693 HB3 LEU 91 HB1 LEU 91 2.074 12.129 -4.918 694 HG LEU 91 HG LEU 91 4.409 12.946 -3.759 695 HD11 LEU 91 HD11 LEU 91 2.109 13.487 -3.084 696 HD12 LEU 91 HD12 LEU 91 3.140 13.081 -1.713 697 HD13 LEU 91 HD13 LEU 91 1.985 11.899 -2.326 698 HD21 LEU 91 HD21 LEU 91 5.187 10.589 -3.606 699 HD22 LEU 91 HD22 LEU 91 3.804 10.254 -2.561 700 HD23 LEU 91 HD23 LEU 91 5.044 11.398 -2.043 701 H THR 92 HN THR 92 2.989 8.190 -6.557 702 HA THR 92 HA THR 92 0.619 8.976 -8.095 703 HB THR 92 HB THR 92 2.632 6.767 -8.543 704 HG1 THR 92 HG1 THR 92 2.375 9.374 -9.432 705 HG21 THR 92 HG21 THR 92 0.409 6.078 -9.312 706 HG22 THR 92 HG22 THR 92 1.491 6.370 -10.676 707 HG23 THR 92 HG23 THR 92 0.270 7.568 -10.248 708 H ALA 93 HN ALA 93 -1.280 8.245 -7.325 709 HA ALA 93 HA ALA 93 -1.243 5.736 -5.786 710 HB1 ALA 93 HB1 ALA 93 -3.556 7.590 -5.675 711 HB2 ALA 93 HB2 ALA 93 -2.078 8.019 -4.812 712 HB3 ALA 93 HB3 ALA 93 -2.913 6.511 -4.438 713 H VAL 94 HN VAL 94 -2.867 4.279 -5.937 714 HA VAL 94 HA VAL 94 -4.772 4.517 -8.131 715 HB VAL 94 HB VAL 94 -2.837 3.305 -9.121 716 HG11 VAL 94 HG11 VAL 94 -2.611 2.097 -6.665 717 HG12 VAL 94 HG12 VAL 94 -1.803 1.572 -8.142 718 HG13 VAL 94 HG13 VAL 94 -3.322 0.823 -7.655 719 HG21 VAL 94 HG21 VAL 94 -4.962 2.837 -10.074 720 HG22 VAL 94 HG22 VAL 94 -5.422 1.805 -8.716 721 HG23 VAL 94 HG23 VAL 94 -4.175 1.272 -9.846 722 H VAL 95 HN VAL 95 -6.646 3.807 -7.659 723 HA VAL 95 HA VAL 95 -7.025 2.416 -5.113 724 HB VAL 95 HB VAL 95 -8.124 4.515 -5.131 725 HG11 VAL 95 HG11 VAL 95 -9.359 3.716 -7.770 726 HG12 VAL 95 HG12 VAL 95 -7.974 4.808 -7.587 727 HG13 VAL 95 HG13 VAL 95 -9.559 5.256 -6.930 728 HG21 VAL 95 HG21 VAL 95 -10.258 2.512 -5.866 729 HG22 VAL 95 HG22 VAL 95 -10.426 3.928 -4.827 730 HG23 VAL 95 HG23 VAL 95 -9.452 2.554 -4.297 731 H CYS 96 HN CYS 96 -8.375 0.687 -4.943 732 HA CYS 96 HA CYS 96 -9.317 -0.539 -7.433 733 HB2 CYS 96 HB2 CYS 96 -8.056 -1.767 -4.990 734 HB3 CYS 96 HB1 CYS 96 -9.050 -2.715 -6.090 735 H GLY 97 HN GLY 97 -11.165 -1.966 -7.142 736 HA2 GLY 97 HA2 GLY 97 -12.941 -0.921 -5.038 737 HA3 GLY 97 HA1 GLY 97 -13.484 -1.380 -6.648 738 H LYS 98 HN LYS 98 -11.137 -3.459 -5.798 739 HA LYS 98 HA LYS 98 -12.701 -5.293 -4.208 740 HB2 LYS 98 HB2 LYS 98 -13.140 -5.431 -6.852 741 HB3 LYS 98 HB1 LYS 98 -11.707 -6.425 -6.759 742 HG2 LYS 98 HG2 LYS 98 -14.303 -6.851 -5.312 743 HG3 LYS 98 HG1 LYS 98 -13.655 -7.809 -6.647 744 HD2 LYS 98 HD2 LYS 98 -12.874 -9.152 -5.018 745 HD3 LYS 98 HD1 LYS 98 -11.624 -7.920 -4.829 746 HE2 LYS 98 HE2 LYS 98 -12.526 -8.376 -2.665 747 HE3 LYS 98 HE1 LYS 98 -13.092 -6.784 -3.172 748 HZ1 LYS 98 HZ1 LYS 98 -15.196 -7.809 -3.838 749 HZ2 LYS 98 HZ2 LYS 98 -14.886 -8.030 -2.190 750 HZ3 LYS 98 HZ3 LYS 98 -14.653 -9.309 -3.272 751 H MET 99 HN MET 99 -11.355 -6.260 -2.853 752 HA MET 99 HA MET 99 -8.578 -6.582 -3.693 753 HB2 MET 99 HB2 MET 99 -9.081 -4.923 -1.812 754 HB3 MET 99 HB1 MET 99 -9.429 -6.319 -0.832 755 HG2 MET 99 HG2 MET 99 -7.232 -5.559 -0.351 756 HG3 MET 99 HG1 MET 99 -7.120 -7.106 -1.189 757 HE1 MET 99 HE1 MET 99 -6.665 -7.476 -3.350 758 HE2 MET 99 HE2 MET 99 -5.424 -6.625 -4.280 759 HE3 MET 99 HE3 MET 99 -7.131 -6.224 -4.497 760 H LYS 100 HN LYS 100 -8.284 -8.591 -4.237 761 HA LYS 100 HA LYS 100 -9.873 -10.714 -3.123 762 HB2 LYS 100 HB2 LYS 100 -7.617 -10.767 -5.133 763 HB3 LYS 100 HB1 LYS 100 -8.605 -12.155 -4.696 764 HG2 LYS 100 HG2 LYS 100 -10.600 -10.969 -5.499 765 HG3 LYS 100 HG1 LYS 100 -9.580 -9.612 -5.979 766 HD2 LYS 100 HD2 LYS 100 -8.358 -11.087 -7.513 767 HD3 LYS 100 HD1 LYS 100 -9.398 -12.431 -7.040 768 HE2 LYS 100 HE2 LYS 100 -10.271 -9.880 -8.393 769 HE3 LYS 100 HE1 LYS 100 -10.144 -11.470 -9.146 770 HZ1 LYS 100 HZ1 LYS 100 -11.988 -10.737 -6.935 771 HZ2 LYS 100 HZ2 LYS 100 -11.859 -12.272 -7.632 772 HZ3 LYS 100 HZ3 LYS 100 -12.424 -10.971 -8.553 773 H GLY 101 HN GLY 101 -6.343 -10.741 -3.592 774 HA2 GLY 101 HA2 GLY 101 -6.112 -12.374 -1.176 775 HA3 GLY 101 HA1 GLY 101 -4.860 -12.116 -2.381 776 H LYS 102 HN LYS 102 -3.195 -11.072 -1.628 777 HA LYS 102 HA LYS 102 -1.849 -9.713 -0.394 778 HB2 LYS 102 HB2 LYS 102 -3.711 -7.527 0.030 779 HB3 LYS 102 HB1 LYS 102 -2.241 -7.582 -0.928 780 HG2 LYS 102 HG2 LYS 102 -4.267 -8.982 -2.331 781 HG3 LYS 102 HG1 LYS 102 -4.903 -7.422 -1.814 782 HD2 LYS 102 HD2 LYS 102 -3.654 -6.330 -3.293 783 HD3 LYS 102 HD1 LYS 102 -2.198 -7.220 -2.835 784 HE2 LYS 102 HE2 LYS 102 -3.125 -9.145 -4.177 785 HE3 LYS 102 HE1 LYS 102 -4.319 -8.017 -4.808 786 HZ1 LYS 102 HZ1 LYS 102 -2.470 -8.168 -6.315 787 HZ2 LYS 102 HZ2 LYS 102 -1.370 -7.795 -5.086 788 HZ3 LYS 102 HZ3 LYS 102 -2.476 -6.628 -5.613 789 H GLY 103 HN GLY 103 -3.142 -7.635 1.475 790 HA2 GLY 103 HA2 GLY 103 -4.062 -9.443 3.604 791 HA3 GLY 103 HA1 GLY 103 -2.693 -8.379 3.908 792 H SER 104 HN SER 104 -5.365 -8.494 5.167 793 HA SER 104 HA SER 104 -6.049 -5.665 4.808 794 HB2 SER 104 HB2 SER 104 -8.473 -6.306 5.036 795 HB3 SER 104 HB1 SER 104 -7.729 -6.789 3.522 796 HG SER 104 HG SER 104 -8.978 -8.327 5.221 797 H CYS 105 HN CYS 105 -6.660 -4.607 6.666 798 HA CYS 105 HA CYS 105 -5.987 -5.799 9.145 799 HB2 CYS 105 HB2 CYS 105 -6.873 -3.186 8.262 800 HB3 CYS 105 HB1 CYS 105 -7.706 -3.660 9.735 801 H THR 106 HN THR 106 -7.824 -5.612 10.998 802 HA THR 106 HA THR 106 -9.509 -6.909 11.863 803 HB THR 106 HB THR 106 -10.752 -4.909 11.145 804 HG1 THR 106 HG1 THR 106 -12.822 -5.978 11.034 805 HG21 THR 106 HG21 THR 106 -12.089 -4.982 9.058 806 HG22 THR 106 HG22 THR 106 -11.235 -6.451 8.591 807 HG23 THR 106 HG23 THR 106 -10.352 -4.932 8.755 808 H ASP 107 HN ASP 107 -7.842 -8.085 9.699 809 HA ASP 107 HA ASP 107 -9.380 -10.493 9.305 810 HB2 ASP 107 HB2 ASP 107 -8.449 -8.823 6.947 811 HB3 ASP 107 HB1 ASP 107 -8.889 -10.528 6.826 812 H GLY 108 HN GLY 108 -6.404 -8.668 8.982 813 HA2 GLY 108 HA2 GLY 108 -4.475 -9.880 10.037 814 HA3 GLY 108 HA1 GLY 108 -4.898 -11.209 8.969 815 H GLU 109 HN GLU 109 -4.190 -7.702 8.719 816 HA GLU 109 HA GLU 109 -3.283 -7.777 6.077 817 HB2 GLU 109 HB2 GLU 109 -3.387 -5.869 8.200 818 HB3 GLU 109 HB1 GLU 109 -1.841 -5.750 7.376 819 HG2 GLU 109 HG2 GLU 109 -3.404 -5.812 5.247 820 HG3 GLU 109 HG1 GLU 109 -4.570 -5.174 6.402 821 H GLU 110 HN GLU 110 -1.154 -7.632 5.214 822 HA GLU 110 HA GLU 110 1.113 -8.121 6.875 823 HB2 GLU 110 HB2 GLU 110 1.780 -10.238 5.800 824 HB3 GLU 110 HB1 GLU 110 0.320 -10.389 6.768 825 HG2 GLU 110 HG2 GLU 110 -1.023 -10.218 4.748 826 HG3 GLU 110 HG1 GLU 110 0.451 -10.112 3.792 827 H ILE 111 HN ILE 111 -0.009 -8.450 3.510 828 HA ILE 111 HA ILE 111 1.810 -6.390 2.672 829 HB ILE 111 HB ILE 111 2.896 -7.823 0.929 830 HG12 ILE 111 HG12 ILE 111 3.090 -10.281 1.743 831 HG13 ILE 111 HG11 ILE 111 1.578 -9.944 2.585 832 HG21 ILE 111 HG21 ILE 111 3.905 -7.012 3.123 833 HG22 ILE 111 HG22 ILE 111 4.708 -8.356 2.300 834 HG23 ILE 111 HG23 ILE 111 3.671 -8.670 3.696 835 HD11 ILE 111 HD11 ILE 111 1.244 -9.002 -0.010 836 HD12 ILE 111 HD12 ILE 111 0.517 -10.430 0.725 837 HD13 ILE 111 HD13 ILE 111 2.043 -10.566 -0.157 838 H PHE 112 HN PHE 112 1.881 -6.391 0.142 839 HA PHE 112 HA PHE 112 -0.913 -6.453 -0.763 840 HB2 PHE 112 HB2 PHE 112 -0.175 -4.231 -0.760 841 HB3 PHE 112 HB1 PHE 112 1.434 -4.660 -1.308 842 HD1 PHE 112 HD2 PHE 112 -1.942 -5.343 -2.730 843 HD2 PHE 112 HD1 PHE 112 1.860 -3.526 -3.251 844 HE1 PHE 112 HE2 PHE 112 -2.570 -4.710 -5.022 845 HE2 PHE 112 HE1 PHE 112 1.240 -2.877 -5.544 846 HZ PHE 112 HZ PHE 112 -0.975 -3.475 -6.433 847 H ARG 113 HN ARG 113 -0.361 -8.875 -1.216 848 HA ARG 113 HA ARG 113 0.738 -9.065 -3.939 849 HB2 ARG 113 HB2 ARG 113 1.720 -11.124 -3.494 850 HB3 ARG 113 HB1 ARG 113 2.013 -10.235 -2.013 851 HG2 ARG 113 HG2 ARG 113 0.054 -11.333 -0.996 852 HG3 ARG 113 HG1 ARG 113 -0.135 -12.292 -2.472 853 HD2 ARG 113 HD2 ARG 113 2.193 -13.114 -2.126 854 HD3 ARG 113 HD1 ARG 113 2.195 -12.271 -0.579 855 HE ARG 113 HE ARG 113 -0.033 -14.007 -0.763 856 HH11 ARG 113 HH11 ARG 113 3.417 -14.013 -0.269 857 HH12 ARG 113 HH12 ARG 113 3.412 -15.484 0.645 858 HH21 ARG 113 HH21 ARG 113 -0.046 -15.944 0.440 859 HH22 ARG 113 HH22 ARG 113 1.445 -16.582 1.048 860 H GLY 114 HN GLY 114 -0.263 -10.647 -5.359 861 HA2 GLY 114 HA2 GLY 114 -2.026 -12.375 -5.538 862 HA3 GLY 114 HA1 GLY 114 -2.988 -11.370 -4.468 863 H ASN 115 HN ASN 115 -4.627 -10.508 -5.517 864 HA ASN 115 HA ASN 115 -4.141 -9.089 -8.004 865 HB2 ASN 115 HB2 ASN 115 -5.927 -11.485 -7.757 866 HB3 ASN 115 HB1 ASN 115 -6.249 -10.245 -8.961 867 HD21 ASN 115 HD21 ASN 115 -4.776 -9.941 -10.651 868 HD22 ASN 115 HD22 ASN 115 -3.611 -11.146 -11.070 869 H ASP 116 HN ASP 116 -5.477 -7.411 -8.377 870 HA ASP 116 HA ASP 116 -7.691 -6.983 -6.481 871 HB2 ASP 116 HB2 ASP 116 -6.918 -4.455 -7.353 872 HB3 ASP 116 HB1 ASP 116 -6.608 -5.147 -5.771 873 H ALA 117 HN ALA 117 -9.555 -6.061 -7.284 874 HA ALA 117 HA ALA 117 -9.697 -5.840 -10.225 875 HB1 ALA 117 HB1 ALA 117 -10.877 -7.833 -9.208 876 HB2 ALA 117 HB2 ALA 117 -11.864 -6.777 -10.221 877 HB3 ALA 117 HB3 ALA 117 -11.990 -6.679 -8.461 878 H GLU 118 HN GLU 118 -11.475 -4.510 -11.017 879 HA GLU 118 HA GLU 118 -12.420 -2.451 -11.216 880 HB2 GLU 118 HB2 GLU 118 -13.022 -3.118 -8.332 881 HB3 GLU 118 HB1 GLU 118 -13.727 -1.742 -9.178 882 HG2 GLU 118 HG2 GLU 118 -14.064 -4.648 -9.879 883 HG3 GLU 118 HG1 GLU 118 -15.272 -3.593 -9.147 884 H CYS 119 HN CYS 119 -9.883 -1.900 -11.251 885 HA CYS 119 HA CYS 119 -9.488 0.143 -9.155 886 HB2 CYS 119 HB2 CYS 119 -7.180 -1.060 -10.635 887 HB3 CYS 119 HB1 CYS 119 -7.197 -0.247 -9.083 888 H ARG 120 HN ARG 120 -8.668 2.080 -9.649 889 HA ARG 120 HA ARG 120 -8.046 2.790 -12.399 890 HB2 ARG 120 HB2 ARG 120 -9.605 4.498 -12.504 891 HB3 ARG 120 HB1 ARG 120 -10.505 3.203 -11.733 892 HG2 ARG 120 HG2 ARG 120 -11.005 4.600 -10.111 893 HG3 ARG 120 HG1 ARG 120 -9.301 4.601 -9.660 894 HD2 ARG 120 HD2 ARG 120 -9.797 6.860 -9.965 895 HD3 ARG 120 HD1 ARG 120 -9.007 6.371 -11.466 896 HE ARG 120 HE ARG 120 -11.646 6.018 -11.989 897 HH11 ARG 120 HH11 ARG 120 -9.758 8.703 -10.814 898 HH12 ARG 120 HH12 ARG 120 -10.798 9.903 -11.508 899 HH21 ARG 120 HH21 ARG 120 -13.018 7.592 -12.905 900 HH22 ARG 120 HH22 ARG 120 -12.650 9.271 -12.695 901 HA PRO 121 HA PRO 121 -4.904 5.210 -10.456 902 HB2 PRO 121 HB2 PRO 121 -4.668 7.365 -12.027 903 HB3 PRO 121 HB1 PRO 121 -4.207 5.748 -12.585 904 HG2 PRO 121 HG2 PRO 121 -6.774 7.226 -13.047 905 HG3 PRO 121 HG1 PRO 121 -5.740 6.402 -14.232 906 HD2 PRO 121 HD2 PRO 121 -7.923 5.208 -13.224 907 HD3 PRO 121 HD1 PRO 121 -6.438 4.292 -13.551 908 H PHE 122 HN PHE 122 -5.029 6.296 -8.620 909 HA PHE 122 HA PHE 122 -7.088 8.372 -8.326 910 HB2 PHE 122 HB2 PHE 122 -6.542 6.101 -6.773 911 HB3 PHE 122 HB1 PHE 122 -5.946 7.455 -5.832 912 HD1 PHE 122 HD2 PHE 122 -8.852 7.685 -8.113 913 HD2 PHE 122 HD1 PHE 122 -7.504 7.337 -4.096 914 HE1 PHE 122 HE2 PHE 122 -11.126 8.186 -7.313 915 HE2 PHE 122 HE1 PHE 122 -9.769 7.826 -3.285 916 HZ PHE 122 HZ PHE 122 -11.588 8.257 -4.893 917 H THR 123 HN THR 123 -6.594 10.345 -7.460 918 HA THR 123 HA THR 123 -3.763 10.853 -6.839 919 HB THR 123 HB THR 123 -3.983 13.090 -7.876 920 HG1 THR 123 HG1 THR 123 -6.561 12.446 -7.939 921 HG21 THR 123 HG21 THR 123 -4.616 10.833 -9.769 922 HG22 THR 123 HG22 THR 123 -3.021 11.190 -9.108 923 HG23 THR 123 HG23 THR 123 -3.814 12.352 -10.170 924 H GLY 124 HN GLY 124 -3.783 11.147 -4.710 925 HA2 GLY 124 HA2 GLY 124 -5.920 12.156 -3.192 926 HA3 GLY 124 HA1 GLY 124 -4.255 12.024 -2.653 Start of MODEL 4 1 H1 HIS 6 HT1 HIS 6 -23.749 4.333 -1.487 2 H2 HIS 6 HT2 HIS 6 -23.591 3.511 -2.956 3 H3 HIS 6 HT3 HIS 6 -23.996 5.153 -2.946 4 HA HIS 6 HA HIS 6 -21.690 4.840 -3.553 5 HB2 HIS 6 HB2 HIS 6 -20.710 6.374 -1.889 6 HB3 HIS 6 HB1 HIS 6 -22.323 6.886 -2.373 7 HD1 HIS 6 HD1 HIS 6 -24.167 6.840 -0.586 8 HD2 HIS 6 HD2 HIS 6 -20.474 5.513 0.780 9 HE1 HIS 6 HE1 HIS 6 -24.377 6.729 1.918 10 HE2 HIS 6 HE2 HIS 6 -22.110 5.986 2.727 11 H ARG 7 HN ARG 7 -19.558 4.210 -2.940 12 HA ARG 7 HA ARG 7 -19.371 2.301 -0.722 13 HB2 ARG 7 HB2 ARG 7 -19.783 1.255 -3.089 14 HB3 ARG 7 HB1 ARG 7 -18.079 1.620 -3.326 15 HG2 ARG 7 HG2 ARG 7 -18.837 0.184 -0.850 16 HG3 ARG 7 HG1 ARG 7 -18.903 -0.703 -2.375 17 HD2 ARG 7 HD2 ARG 7 -16.516 0.795 -1.314 18 HD3 ARG 7 HD1 ARG 7 -16.728 -0.940 -1.262 19 HE ARG 7 HE ARG 7 -15.816 0.578 -3.467 20 HH11 ARG 7 HH11 ARG 7 -17.789 -2.186 -2.681 21 HH12 ARG 7 HH12 ARG 7 -17.515 -2.972 -4.201 22 HH21 ARG 7 HH21 ARG 7 -15.452 -0.450 -5.467 23 HH22 ARG 7 HH22 ARG 7 -16.188 -1.987 -5.782 24 H SER 8 HN SER 8 -18.049 4.820 -2.567 25 HA SER 8 HA SER 8 -15.366 4.651 -2.544 26 HB2 SER 8 HB2 SER 8 -16.978 7.027 -1.579 27 HB3 SER 8 HB1 SER 8 -15.262 7.090 -1.990 28 HG SER 8 HG SER 8 -16.741 5.936 -3.957 29 H ALA 9 HN ALA 9 -14.440 3.382 -1.032 30 HA ALA 9 HA ALA 9 -14.903 3.459 1.722 31 HB1 ALA 9 HB1 ALA 9 -12.917 2.111 1.922 32 HB2 ALA 9 HB2 ALA 9 -12.385 2.596 0.312 33 HB3 ALA 9 HB3 ALA 9 -13.833 1.597 0.500 34 H ASN 10 HN ASN 10 -12.805 3.824 3.196 35 HA ASN 10 HA ASN 10 -12.408 6.668 3.152 36 HB2 ASN 10 HB2 ASN 10 -11.323 4.558 5.027 37 HB3 ASN 10 HB1 ASN 10 -11.208 6.299 5.277 38 HD21 ASN 10 HD21 ASN 10 -13.063 7.467 5.791 39 HD22 ASN 10 HD22 ASN 10 -14.494 6.696 6.376 40 H LEU 11 HN LEU 11 -11.233 5.563 0.870 41 HA LEU 11 HA LEU 11 -8.500 4.974 1.069 42 HB2 LEU 11 HB2 LEU 11 -9.754 6.578 -1.148 43 HB3 LEU 11 HB1 LEU 11 -8.332 5.576 -1.229 44 HG LEU 11 HG LEU 11 -10.897 4.278 -0.549 45 HD11 LEU 11 HD11 LEU 11 -10.112 5.131 -3.323 46 HD12 LEU 11 HD12 LEU 11 -11.468 5.772 -2.387 47 HD13 LEU 11 HD13 LEU 11 -11.475 4.085 -2.909 48 HD21 LEU 11 HD21 LEU 11 -9.945 2.413 -1.655 49 HD22 LEU 11 HD22 LEU 11 -8.661 3.112 -0.668 50 HD23 LEU 11 HD23 LEU 11 -8.700 3.412 -2.405 51 H ARG 12 HN ARG 12 -10.252 7.857 1.404 52 HA ARG 12 HA ARG 12 -8.317 9.764 0.714 53 HB2 ARG 12 HB2 ARG 12 -10.097 10.636 2.843 54 HB3 ARG 12 HB1 ARG 12 -9.941 11.239 1.201 55 HG2 ARG 12 HG2 ARG 12 -11.581 8.866 2.083 56 HG3 ARG 12 HG1 ARG 12 -12.197 10.453 1.625 57 HD2 ARG 12 HD2 ARG 12 -10.675 8.583 -0.199 58 HD3 ARG 12 HD1 ARG 12 -12.433 8.761 -0.173 59 HE ARG 12 HE ARG 12 -11.007 11.230 -0.599 60 HH11 ARG 12 HH11 ARG 12 -12.399 8.415 -2.113 61 HH12 ARG 12 HH12 ARG 12 -12.591 9.180 -3.655 62 HH21 ARG 12 HH21 ARG 12 -11.259 12.245 -2.625 63 HH22 ARG 12 HH22 ARG 12 -11.944 11.357 -3.946 64 H ALA 13 HN ALA 13 -9.059 8.160 3.762 65 HA ALA 13 HA ALA 13 -7.184 9.623 5.318 66 HB1 ALA 13 HB1 ALA 13 -8.233 6.832 5.763 67 HB2 ALA 13 HB2 ALA 13 -9.018 8.314 6.316 68 HB3 ALA 13 HB3 ALA 13 -7.442 7.855 6.962 69 H ALA 14 HN ALA 14 -7.110 6.710 3.435 70 HA ALA 14 HA ALA 14 -4.500 5.866 4.167 71 HB1 ALA 14 HB1 ALA 14 -4.766 4.232 2.468 72 HB2 ALA 14 HB2 ALA 14 -5.985 5.196 1.632 73 HB3 ALA 14 HB3 ALA 14 -6.357 4.458 3.201 74 H HIS 15 HN HIS 15 -5.840 7.806 1.589 75 HA HIS 15 HA HIS 15 -3.748 8.004 -0.143 76 HB2 HIS 15 HB2 HIS 15 -6.108 9.540 0.543 77 HB3 HIS 15 HB1 HIS 15 -4.786 10.605 0.102 78 HD1 HIS 15 HD1 HIS 15 -3.533 9.655 -2.246 79 HD2 HIS 15 HD2 HIS 15 -7.552 8.807 -1.609 80 HE1 HIS 15 HE1 HIS 15 -4.481 9.139 -4.507 81 HE2 HIS 15 HE2 HIS 15 -6.944 8.921 -4.121 82 H ALA 16 HN ALA 16 -4.213 9.445 3.003 83 HA ALA 16 HA ALA 16 -1.819 11.067 2.831 84 HB1 ALA 16 HB1 ALA 16 -3.694 10.581 5.145 85 HB2 ALA 16 HB2 ALA 16 -3.736 11.955 4.039 86 HB3 ALA 16 HB3 ALA 16 -2.363 11.737 5.127 87 H ALA 17 HN ALA 17 -2.791 7.948 4.023 88 HA ALA 17 HA ALA 17 -0.567 7.568 5.774 89 HB1 ALA 17 HB1 ALA 17 -1.207 5.190 5.721 90 HB2 ALA 17 HB2 ALA 17 -2.438 5.589 4.513 91 HB3 ALA 17 HB3 ALA 17 -2.540 6.270 6.138 92 H LEU 18 HN LEU 18 -1.369 6.049 2.637 93 HA LEU 18 HA LEU 18 1.146 4.927 2.160 94 HB2 LEU 18 HB2 LEU 18 -0.850 5.989 0.146 95 HB3 LEU 18 HB1 LEU 18 0.495 4.937 -0.239 96 HG LEU 18 HG LEU 18 -1.035 3.307 -0.120 97 HD11 LEU 18 HD11 LEU 18 -0.894 3.831 2.834 98 HD12 LEU 18 HD12 LEU 18 0.247 2.864 1.897 99 HD13 LEU 18 HD13 LEU 18 -1.430 2.339 2.062 100 HD21 LEU 18 HD21 LEU 18 -3.238 3.620 0.519 101 HD22 LEU 18 HD22 LEU 18 -2.703 5.225 -0.003 102 HD23 LEU 18 HD23 LEU 18 -2.813 4.843 1.720 103 H LEU 19 HN LEU 19 -0.046 8.134 1.922 104 HA LEU 19 HA LEU 19 2.131 9.217 0.386 105 HB2 LEU 19 HB2 LEU 19 0.128 10.462 0.312 106 HB3 LEU 19 HB1 LEU 19 -0.115 10.351 2.037 107 HG LEU 19 HG LEU 19 0.566 12.614 0.972 108 HD11 LEU 19 HD11 LEU 19 1.671 13.258 3.017 109 HD12 LEU 19 HD12 LEU 19 2.033 11.572 3.382 110 HD13 LEU 19 HD13 LEU 19 0.360 12.131 3.375 111 HD21 LEU 19 HD21 LEU 19 2.550 11.472 -0.182 112 HD22 LEU 19 HD22 LEU 19 3.324 11.532 1.400 113 HD23 LEU 19 HD23 LEU 19 2.833 13.026 0.603 114 H GLU 20 HN GLU 20 1.133 9.129 3.752 115 HA GLU 20 HA GLU 20 3.269 10.401 4.974 116 HB2 GLU 20 HB2 GLU 20 1.167 9.720 6.107 117 HB3 GLU 20 HB1 GLU 20 1.699 8.047 6.018 118 HG2 GLU 20 HG2 GLU 20 2.265 8.616 8.160 119 HG3 GLU 20 HG1 GLU 20 3.777 8.890 7.289 120 H ASN 21 HN ASN 21 2.938 7.270 3.590 121 HA ASN 21 HA ASN 21 5.417 6.249 4.677 122 HB2 ASN 21 HB2 ASN 21 4.202 4.373 4.309 123 HB3 ASN 21 HB1 ASN 21 3.137 5.170 3.164 124 HD21 ASN 21 HD21 ASN 21 6.104 3.437 3.578 125 HD22 ASN 21 HD22 ASN 21 6.337 3.041 1.916 126 H ALA 22 HN ALA 22 4.066 7.251 1.583 127 HA ALA 22 HA ALA 22 6.111 6.867 -0.158 128 HB1 ALA 22 HB1 ALA 22 3.895 7.809 -0.734 129 HB2 ALA 22 HB2 ALA 22 5.228 8.694 -1.478 130 HB3 ALA 22 HB3 ALA 22 4.409 9.358 -0.061 131 H ARG 23 HN ARG 23 5.885 9.444 2.242 132 HA ARG 23 HA ARG 23 8.214 10.835 1.282 133 HB2 ARG 23 HB2 ARG 23 8.062 12.058 3.438 134 HB3 ARG 23 HB1 ARG 23 6.540 12.053 2.555 135 HG2 ARG 23 HG2 ARG 23 5.624 10.399 4.026 136 HG3 ARG 23 HG1 ARG 23 7.186 10.174 4.815 137 HD2 ARG 23 HD2 ARG 23 5.672 11.554 6.158 138 HD3 ARG 23 HD1 ARG 23 7.112 12.443 5.666 139 HE ARG 23 HE ARG 23 5.185 12.966 3.756 140 HH11 ARG 23 HH11 ARG 23 5.577 13.453 7.186 141 HH12 ARG 23 HH12 ARG 23 4.594 14.878 7.225 142 HH21 ARG 23 HH21 ARG 23 3.894 14.843 3.800 143 HH22 ARG 23 HH22 ARG 23 3.640 15.669 5.302 144 H PHE 24 HN PHE 24 7.487 8.588 3.910 145 HA PHE 24 HA PHE 24 10.102 8.382 4.923 146 HB2 PHE 24 HB2 PHE 24 7.551 6.977 5.227 147 HB3 PHE 24 HB1 PHE 24 8.941 5.919 5.406 148 HD1 PHE 24 HD1 PHE 24 7.136 8.782 6.784 149 HD2 PHE 24 HD2 PHE 24 10.461 6.171 7.266 150 HE1 PHE 24 HE1 PHE 24 7.421 9.578 9.095 151 HE2 PHE 24 HE2 PHE 24 10.752 6.962 9.577 152 HZ PHE 24 HZ PHE 24 9.231 8.668 10.495 153 H MET 25 HN MET 25 8.548 7.191 2.125 154 HA MET 25 HA MET 25 10.408 5.069 1.535 155 HB2 MET 25 HB2 MET 25 8.351 6.516 -0.166 156 HB3 MET 25 HB1 MET 25 9.303 5.151 -0.724 157 HG2 MET 25 HG2 MET 25 7.317 5.113 1.533 158 HG3 MET 25 HG1 MET 25 7.042 4.506 -0.096 159 HE1 MET 25 HE1 MET 25 8.780 2.464 3.447 160 HE2 MET 25 HE2 MET 25 8.152 4.108 3.278 161 HE3 MET 25 HE3 MET 25 9.853 3.773 2.943 162 H GLU 26 HN GLU 26 9.643 8.271 0.326 163 HA GLU 26 HA GLU 26 11.747 8.669 -1.434 164 HB2 GLU 26 HB2 GLU 26 9.823 10.336 0.079 165 HB3 GLU 26 HB1 GLU 26 11.260 11.173 -0.458 166 HG2 GLU 26 HG2 GLU 26 10.754 10.279 -2.769 167 HG3 GLU 26 HG1 GLU 26 9.190 9.790 -2.119 168 H GLN 27 HN GLN 27 11.589 8.704 2.014 169 HA GLN 27 HA GLN 27 14.135 10.024 2.367 170 HB2 GLN 27 HB2 GLN 27 12.112 8.882 4.240 171 HB3 GLN 27 HB1 GLN 27 13.687 9.386 4.806 172 HG2 GLN 27 HG2 GLN 27 11.767 11.146 3.330 173 HG3 GLN 27 HG1 GLN 27 11.930 11.095 5.081 174 HE21 GLN 27 HE21 GLN 27 13.406 12.047 2.085 175 HE22 GLN 27 HE22 GLN 27 14.625 13.061 2.771 176 H PHE 28 HN PHE 28 12.778 6.792 3.001 177 HA PHE 28 HA PHE 28 15.023 5.539 3.977 178 HB2 PHE 28 HB2 PHE 28 12.775 4.471 3.743 179 HB3 PHE 28 HB1 PHE 28 13.085 4.312 2.021 180 HD1 PHE 28 HD2 PHE 28 13.971 3.098 5.354 181 HD2 PHE 28 HD1 PHE 28 14.644 2.677 1.173 182 HE1 PHE 28 HE2 PHE 28 15.101 0.949 5.755 183 HE2 PHE 28 HE1 PHE 28 15.773 0.525 1.565 184 HZ PHE 28 HZ PHE 28 16.005 -0.339 3.860 185 H TYR 29 HN TYR 29 14.117 6.239 0.665 186 HA TYR 29 HA TYR 29 16.383 4.994 -0.555 187 HB2 TYR 29 HB2 TYR 29 14.343 5.395 -1.836 188 HB3 TYR 29 HB1 TYR 29 14.446 7.122 -1.526 189 HD1 TYR 29 HD1 TYR 29 15.948 4.319 -3.391 190 HD2 TYR 29 HD2 TYR 29 15.850 8.533 -2.838 191 HE1 TYR 29 HE1 TYR 29 17.240 4.614 -5.464 192 HE2 TYR 29 HE2 TYR 29 17.138 8.845 -4.904 193 HH TYR 29 HH TYR 29 17.630 6.349 -7.157 194 H ALA 30 HN ALA 30 15.519 8.247 0.523 195 HA ALA 30 HA ALA 30 17.821 9.582 -0.424 196 HB1 ALA 30 HB1 ALA 30 17.189 11.302 1.294 197 HB2 ALA 30 HB2 ALA 30 15.909 10.207 1.826 198 HB3 ALA 30 HB3 ALA 30 15.893 10.853 0.186 199 H LYS 31 HN LYS 31 17.335 7.385 2.125 200 HA LYS 31 HA LYS 31 19.803 8.184 3.496 201 HB2 LYS 31 HB2 LYS 31 17.631 6.277 4.384 202 HB3 LYS 31 HB1 LYS 31 19.024 6.766 5.338 203 HG2 LYS 31 HG2 LYS 31 18.105 8.733 5.915 204 HG3 LYS 31 HG1 LYS 31 17.354 8.967 4.336 205 HD2 LYS 31 HD2 LYS 31 15.558 7.481 4.894 206 HD3 LYS 31 HD1 LYS 31 16.361 6.995 6.389 207 HE2 LYS 31 HE2 LYS 31 14.426 8.752 6.432 208 HE3 LYS 31 HE1 LYS 31 15.844 8.960 7.465 209 HZ1 LYS 31 HZ1 LYS 31 15.220 11.008 6.315 210 HZ2 LYS 31 HZ2 LYS 31 15.454 10.253 4.818 211 HZ3 LYS 31 HZ3 LYS 31 16.766 10.490 5.859 212 H LYS 32 HN LYS 32 18.320 5.712 1.590 213 HA LYS 32 HA LYS 32 20.704 4.013 1.879 214 HB2 LYS 32 HB2 LYS 32 17.807 3.384 1.679 215 HB3 LYS 32 HB1 LYS 32 18.937 2.273 0.936 216 HG2 LYS 32 HG2 LYS 32 19.370 3.148 3.746 217 HG3 LYS 32 HG1 LYS 32 18.158 1.921 3.389 218 HD2 LYS 32 HD2 LYS 32 19.843 0.541 2.310 219 HD3 LYS 32 HD1 LYS 32 21.065 1.784 2.596 220 HE2 LYS 32 HE2 LYS 32 20.748 1.522 5.014 221 HE3 LYS 32 HE1 LYS 32 19.544 0.269 4.715 222 HZ1 LYS 32 HZ1 LYS 32 21.681 -0.701 5.233 223 HZ2 LYS 32 HZ2 LYS 32 22.413 0.139 3.960 224 HZ3 LYS 32 HZ3 LYS 32 21.262 -1.056 3.631 225 H GLY 33 HN GLY 33 18.053 3.887 -0.447 226 HA2 GLY 33 HA2 GLY 33 18.586 5.029 -2.679 227 HA3 GLY 33 HA1 GLY 33 20.040 4.041 -2.616 228 H SER 34 HN SER 34 18.024 2.086 -1.174 229 HA SER 34 HA SER 34 16.370 1.150 -3.317 230 HB2 SER 34 HB2 SER 34 18.738 -0.569 -2.541 231 HB3 SER 34 HB1 SER 34 17.473 -0.992 -3.691 232 HG SER 34 HG SER 34 18.189 0.744 -4.996 233 H PHE 35 HN PHE 35 14.912 -0.485 -2.636 234 HA PHE 35 HA PHE 35 14.793 -0.744 0.269 235 HB2 PHE 35 HB2 PHE 35 12.743 -0.972 -1.894 236 HB3 PHE 35 HB1 PHE 35 12.484 -1.837 -0.382 237 HD1 PHE 35 HD1 PHE 35 13.355 1.534 -1.676 238 HD2 PHE 35 HD2 PHE 35 11.518 -0.760 1.399 239 HE1 PHE 35 HE1 PHE 35 12.538 3.603 -0.626 240 HE2 PHE 35 HE2 PHE 35 10.695 1.303 2.452 241 HZ PHE 35 HZ PHE 35 11.207 3.487 1.438 242 H LYS 36 HN LYS 36 13.669 -3.117 -2.184 243 HA LYS 36 HA LYS 36 14.545 -5.269 -0.510 244 HB2 LYS 36 HB2 LYS 36 12.840 -5.161 -2.657 245 HB3 LYS 36 HB1 LYS 36 14.264 -5.920 -3.344 246 HG2 LYS 36 HG2 LYS 36 14.212 -7.577 -1.489 247 HG3 LYS 36 HG1 LYS 36 12.657 -6.892 -1.013 248 HD2 LYS 36 HD2 LYS 36 12.404 -8.901 -2.424 249 HD3 LYS 36 HD1 LYS 36 11.702 -7.465 -3.165 250 HE2 LYS 36 HE2 LYS 36 13.689 -7.210 -4.568 251 HE3 LYS 36 HE1 LYS 36 14.396 -8.644 -3.829 252 HZ1 LYS 36 HZ1 LYS 36 11.903 -8.560 -5.438 253 HZ2 LYS 36 HZ2 LYS 36 12.533 -9.941 -4.694 254 HZ3 LYS 36 HZ3 LYS 36 13.393 -9.186 -5.940 255 H LEU 37 HN LEU 37 16.155 -6.771 -0.950 256 HA LEU 37 HA LEU 37 18.444 -5.639 -2.421 257 HB2 LEU 37 HB2 LEU 37 19.657 -7.123 -0.583 258 HB3 LEU 37 HB1 LEU 37 19.188 -5.460 -0.275 259 HG LEU 37 HG LEU 37 17.125 -6.255 0.855 260 HD11 LEU 37 HD11 LEU 37 17.383 -8.828 1.409 261 HD12 LEU 37 HD12 LEU 37 18.056 -8.808 -0.221 262 HD13 LEU 37 HD13 LEU 37 16.421 -8.182 0.070 263 HD21 LEU 37 HD21 LEU 37 19.600 -7.602 1.939 264 HD22 LEU 37 HD22 LEU 37 18.176 -7.094 2.849 265 HD23 LEU 37 HD23 LEU 37 19.236 -5.887 2.120 266 H THR 38 HN THR 38 16.513 -8.416 -1.685 267 HA THR 38 HA THR 38 17.780 -9.938 -3.822 268 HB THR 38 HB THR 38 18.897 -10.517 -1.578 269 HG1 THR 38 HG1 THR 38 19.259 -12.430 -2.461 270 HG21 THR 38 HG21 THR 38 16.755 -10.510 -0.291 271 HG22 THR 38 HG22 THR 38 17.687 -11.999 -0.102 272 HG23 THR 38 HG23 THR 38 16.276 -11.966 -1.165 273 H SER 39 HN SER 39 16.477 -11.777 -4.489 274 HA SER 39 HA SER 39 13.711 -11.241 -4.445 275 HB2 SER 39 HB2 SER 39 13.460 -13.389 -5.619 276 HB3 SER 39 HB1 SER 39 14.790 -12.454 -6.306 277 HG SER 39 HG SER 39 15.170 -14.772 -5.831 278 H THR 40 HN THR 40 12.246 -11.731 -3.031 279 HA THR 40 HA THR 40 11.035 -12.831 -1.460 280 HB THR 40 HB THR 40 11.579 -14.918 -0.510 281 HG1 THR 40 HG1 THR 40 13.686 -15.830 -0.737 282 HG21 THR 40 HG21 THR 40 10.984 -14.925 -2.908 283 HG22 THR 40 HG22 THR 40 11.992 -16.298 -2.442 284 HG23 THR 40 HG23 THR 40 12.704 -14.935 -3.306 285 H LYS 41 HN LYS 41 12.410 -10.538 -0.911 286 HA LYS 41 HA LYS 41 13.067 -10.939 1.933 287 HB2 LYS 41 HB2 LYS 41 15.005 -10.216 0.443 288 HB3 LYS 41 HB1 LYS 41 14.199 -8.664 0.292 289 HG2 LYS 41 HG2 LYS 41 14.584 -9.729 3.021 290 HG3 LYS 41 HG1 LYS 41 16.014 -9.186 2.163 291 HD2 LYS 41 HD2 LYS 41 13.648 -7.620 3.096 292 HD3 LYS 41 HD1 LYS 41 15.367 -7.276 3.288 293 HE2 LYS 41 HE2 LYS 41 15.423 -6.892 0.782 294 HE3 LYS 41 HE1 LYS 41 13.664 -6.912 0.839 295 HZ1 LYS 41 HZ1 LYS 41 15.459 -5.033 2.276 296 HZ2 LYS 41 HZ2 LYS 41 13.781 -5.098 2.482 297 HZ3 LYS 41 HZ3 LYS 41 14.431 -4.665 0.982 298 H TRP 42 HN TRP 42 12.390 -9.161 3.360 299 HA TRP 42 HA TRP 42 10.219 -7.594 2.150 300 HB2 TRP 42 HB2 TRP 42 10.040 -9.587 4.280 301 HB3 TRP 42 HB1 TRP 42 9.276 -8.049 4.658 302 HD1 TRP 42 HD1 TRP 42 8.641 -7.962 1.230 303 HE1 TRP 42 HE1 TRP 42 6.437 -9.079 0.565 304 HE3 TRP 42 HE3 TRP 42 7.814 -10.731 5.452 305 HZ2 TRP 42 HZ2 TRP 42 4.585 -10.864 1.658 306 HZ3 TRP 42 HZ3 TRP 42 5.786 -12.124 5.557 307 HH2 TRP 42 HH2 TRP 42 4.203 -12.191 3.696 308 HA PRO 43 HA PRO 43 12.502 -4.439 4.570 309 HB2 PRO 43 HB2 PRO 43 11.635 -2.392 2.958 310 HB3 PRO 43 HB1 PRO 43 13.092 -3.333 2.623 311 HG2 PRO 43 HG2 PRO 43 10.356 -3.588 1.448 312 HG3 PRO 43 HG1 PRO 43 11.936 -3.715 0.653 313 HD2 PRO 43 HD2 PRO 43 10.458 -5.890 1.323 314 HD3 PRO 43 HD1 PRO 43 12.242 -5.904 1.315 315 H GLU 44 HN GLU 44 11.425 -3.649 6.374 316 HA GLU 44 HA GLU 44 8.669 -3.941 6.653 317 HB2 GLU 44 HB2 GLU 44 10.499 -3.819 8.442 318 HB3 GLU 44 HB1 GLU 44 10.232 -2.088 8.351 319 HG2 GLU 44 HG2 GLU 44 7.697 -2.918 8.560 320 HG3 GLU 44 HG1 GLU 44 8.517 -4.207 9.442 321 H LEU 45 HN LEU 45 7.002 -2.525 6.891 322 HA LEU 45 HA LEU 45 7.127 -0.145 5.216 323 HB2 LEU 45 HB2 LEU 45 4.713 -0.218 5.299 324 HB3 LEU 45 HB1 LEU 45 5.326 -1.821 4.932 325 HG LEU 45 HG LEU 45 4.954 -1.446 7.759 326 HD11 LEU 45 HD11 LEU 45 2.674 -0.824 5.998 327 HD12 LEU 45 HD12 LEU 45 3.233 0.008 7.451 328 HD13 LEU 45 HD13 LEU 45 2.436 -1.560 7.583 329 HD21 LEU 45 HD21 LEU 45 3.947 -3.543 7.699 330 HD22 LEU 45 HD22 LEU 45 5.279 -3.580 6.545 331 HD23 LEU 45 HD23 LEU 45 3.619 -3.401 5.977 332 HA PRO 46 HA PRO 46 6.968 2.591 8.729 333 HB2 PRO 46 HB2 PRO 46 5.982 4.798 7.268 334 HB3 PRO 46 HB1 PRO 46 7.670 4.401 7.582 335 HG2 PRO 46 HG2 PRO 46 6.376 4.351 5.091 336 HG3 PRO 46 HG1 PRO 46 7.971 3.680 5.463 337 HD2 PRO 46 HD2 PRO 46 5.354 2.313 5.189 338 HD3 PRO 46 HD1 PRO 46 6.988 1.700 4.867 339 H VAL 47 HN VAL 47 4.256 3.689 6.678 340 HA VAL 47 HA VAL 47 2.586 4.000 9.006 341 HB VAL 47 HB VAL 47 2.415 5.549 7.031 342 HG11 VAL 47 HG11 VAL 47 1.165 4.845 5.086 343 HG12 VAL 47 HG12 VAL 47 1.034 3.216 5.746 344 HG13 VAL 47 HG13 VAL 47 2.614 3.857 5.278 345 HG21 VAL 47 HG21 VAL 47 -0.144 4.127 7.728 346 HG22 VAL 47 HG22 VAL 47 0.023 5.780 7.137 347 HG23 VAL 47 HG23 VAL 47 0.641 5.349 8.731 348 H LYS 48 HN LYS 48 1.090 2.644 9.756 349 HA LYS 48 HA LYS 48 0.491 0.231 8.181 350 HB2 LYS 48 HB2 LYS 48 0.415 0.330 11.183 351 HB3 LYS 48 HB1 LYS 48 0.485 -1.084 10.140 352 HG2 LYS 48 HG2 LYS 48 2.674 -1.137 10.449 353 HG3 LYS 48 HG1 LYS 48 2.799 0.395 9.585 354 HD2 LYS 48 HD2 LYS 48 2.351 0.069 12.552 355 HD3 LYS 48 HD1 LYS 48 3.873 0.520 11.782 356 HE2 LYS 48 HE2 LYS 48 2.781 2.534 10.871 357 HE3 LYS 48 HE1 LYS 48 1.294 2.090 11.711 358 HZ1 LYS 48 HZ1 LYS 48 2.430 2.306 13.811 359 HZ2 LYS 48 HZ2 LYS 48 2.602 3.741 12.931 360 HZ3 LYS 48 HZ3 LYS 48 3.893 2.654 13.035 361 H GLU 49 HN GLU 49 -0.718 3.050 9.138 362 HA GLU 49 HA GLU 49 -3.432 2.250 8.806 363 HB2 GLU 49 HB2 GLU 49 -3.205 1.551 11.107 364 HB3 GLU 49 HB1 GLU 49 -2.555 3.119 11.555 365 HG2 GLU 49 HG2 GLU 49 -4.707 4.152 10.956 366 HG3 GLU 49 HG1 GLU 49 -5.347 2.551 10.586 367 H ALA 50 HN ALA 50 -4.687 3.887 8.239 368 HA ALA 50 HA ALA 50 -3.523 6.568 8.058 369 HB1 ALA 50 HB1 ALA 50 -5.648 5.096 6.545 370 HB2 ALA 50 HB2 ALA 50 -4.202 5.898 5.937 371 HB3 ALA 50 HB3 ALA 50 -5.569 6.854 6.502 372 H GLY 51 HN GLY 51 -6.746 5.194 8.439 373 HA2 GLY 51 HA2 GLY 51 -7.441 6.303 10.898 374 HA3 GLY 51 HA1 GLY 51 -7.927 7.452 9.652 375 H GLY 52 HN GLY 52 -8.320 5.344 7.700 376 HA2 GLY 52 HA2 GLY 52 -10.668 3.936 8.754 377 HA3 GLY 52 HA1 GLY 52 -10.771 4.842 7.252 378 H PHE 53 HN PHE 53 -7.794 3.981 7.048 379 HA PHE 53 HA PHE 53 -8.255 1.259 6.011 380 HB2 PHE 53 HB2 PHE 53 -6.866 3.608 4.780 381 HB3 PHE 53 HB1 PHE 53 -6.213 2.010 4.479 382 HD1 PHE 53 HD1 PHE 53 -9.742 3.234 4.641 383 HD2 PHE 53 HD2 PHE 53 -6.667 1.459 2.321 384 HE1 PHE 53 HE1 PHE 53 -11.328 2.917 2.800 385 HE2 PHE 53 HE2 PHE 53 -8.246 1.130 0.471 386 HZ PHE 53 HZ PHE 53 -10.582 1.862 0.707 387 H CYS 54 HN CYS 54 -6.257 -0.071 5.963 388 HA CYS 54 HA CYS 54 -4.253 0.824 7.910 389 HB2 CYS 54 HB2 CYS 54 -4.111 -1.285 8.943 390 HB3 CYS 54 HB1 CYS 54 -5.835 -1.016 8.757 391 H ILE 55 HN ILE 55 -2.134 0.377 7.423 392 HA ILE 55 HA ILE 55 -1.737 -0.419 4.626 393 HB ILE 55 HB ILE 55 -0.139 1.492 6.308 394 HG12 ILE 55 HG12 ILE 55 -1.086 3.109 4.528 395 HG13 ILE 55 HG11 ILE 55 -2.259 1.840 4.215 396 HG21 ILE 55 HG21 ILE 55 0.891 2.098 4.094 397 HG22 ILE 55 HG22 ILE 55 0.165 0.626 3.445 398 HG23 ILE 55 HG23 ILE 55 1.353 0.526 4.747 399 HD11 ILE 55 HD11 ILE 55 -1.846 2.970 6.952 400 HD12 ILE 55 HD12 ILE 55 -3.213 2.039 6.330 401 HD13 ILE 55 HD13 ILE 55 -2.948 3.694 5.782 402 H ARG 56 HN ARG 56 0.077 -1.478 3.972 403 HA ARG 56 HA ARG 56 1.980 -2.612 5.873 404 HB2 ARG 56 HB2 ARG 56 -0.108 -4.225 4.405 405 HB3 ARG 56 HB1 ARG 56 1.471 -4.925 4.728 406 HG2 ARG 56 HG2 ARG 56 -0.322 -3.785 6.855 407 HG3 ARG 56 HG1 ARG 56 -0.301 -5.486 6.385 408 HD2 ARG 56 HD2 ARG 56 2.144 -5.514 6.913 409 HD3 ARG 56 HD1 ARG 56 1.963 -3.884 7.561 410 HE ARG 56 HE ARG 56 0.087 -5.590 8.781 411 HH11 ARG 56 HH11 ARG 56 3.514 -4.950 8.713 412 HH12 ARG 56 HH12 ARG 56 3.781 -5.514 10.329 413 HH21 ARG 56 HH21 ARG 56 0.431 -6.337 10.907 414 HH22 ARG 56 HH22 ARG 56 2.030 -6.305 11.574 415 H MET 57 HN MET 57 3.743 -3.741 4.709 416 HA MET 57 HA MET 57 4.621 -2.258 2.498 417 HB2 MET 57 HB2 MET 57 6.005 -3.533 4.243 418 HB3 MET 57 HB1 MET 57 5.736 -4.945 3.229 419 HG2 MET 57 HG2 MET 57 6.564 -2.982 1.462 420 HG3 MET 57 HG1 MET 57 7.573 -2.745 2.889 421 HE1 MET 57 HE1 MET 57 6.215 -5.304 0.339 422 HE2 MET 57 HE2 MET 57 6.066 -6.248 1.822 423 HE3 MET 57 HE3 MET 57 7.239 -6.714 0.595 424 H SER 58 HN SER 58 5.127 -2.981 0.357 425 HA SER 58 HA SER 58 3.099 -3.922 -1.150 426 HB2 SER 58 HB2 SER 58 4.974 -2.930 -2.234 427 HB3 SER 58 HB1 SER 58 6.067 -4.188 -1.632 428 HG SER 58 HG SER 58 5.600 -4.710 -3.723 429 H GLY 59 HN GLY 59 3.320 -5.983 -2.637 430 HA2 GLY 59 HA2 GLY 59 2.257 -8.110 -1.343 431 HA3 GLY 59 HA1 GLY 59 3.054 -8.233 -2.886 432 H GLN 60 HN GLN 60 3.791 -10.225 -2.646 433 HA GLN 60 HA GLN 60 5.048 -11.293 -0.376 434 HB2 GLN 60 HB2 GLN 60 5.950 -12.894 -2.335 435 HB3 GLN 60 HB1 GLN 60 4.335 -12.993 -1.656 436 HG2 GLN 60 HG2 GLN 60 3.428 -11.699 -3.450 437 HG3 GLN 60 HG1 GLN 60 5.043 -11.413 -4.102 438 HE21 GLN 60 HE21 GLN 60 6.120 -13.078 -5.164 439 HE22 GLN 60 HE22 GLN 60 5.302 -14.492 -5.725 440 H ALA 61 HN ALA 61 7.123 -11.594 0.170 441 HA ALA 61 HA ALA 61 9.047 -9.720 -0.287 442 HB1 ALA 61 HB1 ALA 61 9.723 -12.606 0.202 443 HB2 ALA 61 HB2 ALA 61 9.046 -11.550 1.443 444 HB3 ALA 61 HB3 ALA 61 10.612 -11.173 0.722 445 H LYS 62 HN LYS 62 8.246 -12.416 -2.350 446 HA LYS 62 HA LYS 62 10.662 -12.317 -3.888 447 HB2 LYS 62 HB2 LYS 62 9.497 -14.384 -3.843 448 HB3 LYS 62 HB1 LYS 62 7.991 -13.622 -4.315 449 HG2 LYS 62 HG2 LYS 62 8.607 -14.595 -6.286 450 HG3 LYS 62 HG1 LYS 62 9.345 -13.003 -6.476 451 HD2 LYS 62 HD2 LYS 62 11.002 -14.561 -7.110 452 HD3 LYS 62 HD1 LYS 62 11.450 -14.009 -5.494 453 HE2 LYS 62 HE2 LYS 62 11.702 -16.432 -5.716 454 HE3 LYS 62 HE1 LYS 62 10.476 -16.013 -4.519 455 HZ1 LYS 62 HZ1 LYS 62 9.747 -17.821 -5.947 456 HZ2 LYS 62 HZ2 LYS 62 9.940 -16.850 -7.319 457 HZ3 LYS 62 HZ3 LYS 62 8.766 -16.459 -6.164 458 H GLY 63 HN GLY 63 7.487 -10.880 -4.092 459 HA2 GLY 63 HA2 GLY 63 8.269 -9.432 -6.530 460 HA3 GLY 63 HA1 GLY 63 6.611 -9.759 -6.051 461 H ILE 64 HN ILE 64 9.489 -8.331 -4.549 462 HA ILE 64 HA ILE 64 7.734 -6.219 -3.528 463 HB ILE 64 HB ILE 64 10.286 -7.356 -2.451 464 HG12 ILE 64 HG12 ILE 64 8.647 -8.682 -1.633 465 HG13 ILE 64 HG11 ILE 64 8.572 -7.404 -0.427 466 HG21 ILE 64 HG21 ILE 64 8.893 -4.826 -1.662 467 HG22 ILE 64 HG22 ILE 64 10.603 -5.080 -2.025 468 HG23 ILE 64 HG23 ILE 64 9.905 -5.740 -0.543 469 HD11 ILE 64 HD11 ILE 64 6.781 -6.365 -1.937 470 HD12 ILE 64 HD12 ILE 64 6.362 -7.790 -0.990 471 HD13 ILE 64 HD13 ILE 64 6.717 -7.956 -2.717 472 H LEU 65 HN LEU 65 8.132 -4.213 -3.604 473 HA LEU 65 HA LEU 65 8.848 -2.896 -5.730 474 HB2 LEU 65 HB2 LEU 65 9.698 -1.105 -3.981 475 HB3 LEU 65 HB1 LEU 65 8.006 -1.501 -4.184 476 HG LEU 65 HG LEU 65 8.398 -3.195 -2.316 477 HD11 LEU 65 HD11 LEU 65 10.242 -2.503 -0.773 478 HD12 LEU 65 HD12 LEU 65 10.849 -1.472 -2.072 479 HD13 LEU 65 HD13 LEU 65 10.788 -3.222 -2.291 480 HD21 LEU 65 HD21 LEU 65 8.791 -0.411 -1.341 481 HD22 LEU 65 HD22 LEU 65 7.680 -1.658 -0.765 482 HD23 LEU 65 HD23 LEU 65 7.339 -0.799 -2.269 483 H GLU 66 HN GLU 66 10.549 -1.981 -6.748 484 HA GLU 66 HA GLU 66 13.228 -2.119 -5.656 485 HB2 GLU 66 HB2 GLU 66 12.450 -3.733 -8.092 486 HB3 GLU 66 HB1 GLU 66 14.112 -3.319 -7.694 487 HG2 GLU 66 HG2 GLU 66 13.557 -4.429 -5.406 488 HG3 GLU 66 HG1 GLU 66 12.240 -5.180 -6.309 489 H GLY 67 HN GLY 67 13.943 -0.131 -6.061 490 HA2 GLY 67 HA2 GLY 67 14.400 1.818 -7.222 491 HA3 GLY 67 HA1 GLY 67 13.911 0.982 -8.697 492 H LYS 68 HN LYS 68 11.602 0.496 -6.463 493 HA LYS 68 HA LYS 68 10.032 2.906 -6.982 494 HB2 LYS 68 HB2 LYS 68 8.209 1.748 -7.922 495 HB3 LYS 68 HB1 LYS 68 9.601 1.009 -8.699 496 HG2 LYS 68 HG2 LYS 68 9.025 -0.985 -7.966 497 HG3 LYS 68 HG1 LYS 68 9.001 -0.417 -6.301 498 HD2 LYS 68 HD2 LYS 68 6.686 0.528 -6.840 499 HD3 LYS 68 HD1 LYS 68 6.752 -0.479 -8.290 500 HE2 LYS 68 HE2 LYS 68 7.362 -2.380 -6.646 501 HE3 LYS 68 HE1 LYS 68 6.706 -1.302 -5.413 502 HZ1 LYS 68 HZ1 LYS 68 5.247 -2.282 -7.808 503 HZ2 LYS 68 HZ2 LYS 68 4.621 -1.227 -6.644 504 HZ3 LYS 68 HZ3 LYS 68 5.017 -2.815 -6.218 505 H PHE 69 HN PHE 69 8.878 3.472 -5.128 506 HA PHE 69 HA PHE 69 8.668 1.356 -3.089 507 HB2 PHE 69 HB2 PHE 69 8.649 4.102 -2.049 508 HB3 PHE 69 HB1 PHE 69 9.515 2.677 -1.475 509 HD1 PHE 69 HD2 PHE 69 11.342 1.922 -3.466 510 HD2 PHE 69 HD1 PHE 69 10.056 5.849 -2.468 511 HE1 PHE 69 HE2 PHE 69 13.420 2.837 -4.405 512 HE2 PHE 69 HE1 PHE 69 12.130 6.772 -3.409 513 HZ PHE 69 HZ PHE 69 13.812 5.264 -4.382 514 H THR 70 HN THR 70 6.626 0.775 -2.659 515 HA THR 70 HA THR 70 4.546 2.833 -2.620 516 HB THR 70 HB THR 70 3.977 0.310 -4.143 517 HG1 THR 70 HG1 THR 70 5.414 2.571 -5.000 518 HG21 THR 70 HG21 THR 70 2.396 2.027 -5.296 519 HG22 THR 70 HG22 THR 70 2.750 3.061 -3.915 520 HG23 THR 70 HG23 THR 70 1.988 1.487 -3.667 521 H LEU 71 HN LEU 71 2.904 2.443 -1.235 522 HA LEU 71 HA LEU 71 2.789 -0.207 0.041 523 HB2 LEU 71 HB2 LEU 71 2.409 2.514 1.261 524 HB3 LEU 71 HB1 LEU 71 1.873 1.043 2.039 525 HG LEU 71 HG LEU 71 4.594 2.128 1.703 526 HD11 LEU 71 HD11 LEU 71 3.571 2.349 3.825 527 HD12 LEU 71 HD12 LEU 71 4.797 1.088 3.970 528 HD13 LEU 71 HD13 LEU 71 3.095 0.650 3.839 529 HD21 LEU 71 HD21 LEU 71 3.969 -0.809 1.643 530 HD22 LEU 71 HD22 LEU 71 5.510 -0.181 2.228 531 HD23 LEU 71 HD23 LEU 71 5.015 0.113 0.562 532 H LYS 72 HN LYS 72 0.723 -0.987 0.575 533 HA LYS 72 HA LYS 72 -1.468 0.522 -0.676 534 HB2 LYS 72 HB2 LYS 72 -1.171 -1.501 -1.922 535 HB3 LYS 72 HB1 LYS 72 -1.104 -2.459 -0.448 536 HG2 LYS 72 HG2 LYS 72 -3.339 -2.521 -0.212 537 HG3 LYS 72 HG1 LYS 72 -3.553 -0.870 -0.795 538 HD2 LYS 72 HD2 LYS 72 -2.976 -3.273 -2.531 539 HD3 LYS 72 HD1 LYS 72 -4.566 -2.552 -2.293 540 HE2 LYS 72 HE2 LYS 72 -3.684 -0.423 -3.209 541 HE3 LYS 72 HE1 LYS 72 -2.156 -1.237 -3.541 542 HZ1 LYS 72 HZ1 LYS 72 -4.797 -1.945 -4.702 543 HZ2 LYS 72 HZ2 LYS 72 -3.349 -2.767 -5.000 544 HZ3 LYS 72 HZ3 LYS 72 -3.531 -1.165 -5.511 545 H ALA 73 HN ALA 73 -3.316 0.759 0.341 546 HA ALA 73 HA ALA 73 -3.394 -0.010 3.175 547 HB1 ALA 73 HB1 ALA 73 -4.486 2.038 3.612 548 HB2 ALA 73 HB2 ALA 73 -4.854 2.286 1.903 549 HB3 ALA 73 HB3 ALA 73 -3.192 2.441 2.472 550 H VAL 74 HN VAL 74 -5.359 -0.707 4.006 551 HA VAL 74 HA VAL 74 -7.439 -1.352 2.029 552 HB VAL 74 HB VAL 74 -6.162 -3.139 4.075 553 HG11 VAL 74 HG11 VAL 74 -7.978 -4.778 3.637 554 HG12 VAL 74 HG12 VAL 74 -8.863 -3.522 2.771 555 HG13 VAL 74 HG13 VAL 74 -8.539 -3.345 4.496 556 HG21 VAL 74 HG21 VAL 74 -5.720 -4.549 2.274 557 HG22 VAL 74 HG22 VAL 74 -5.451 -2.927 1.622 558 HG23 VAL 74 HG23 VAL 74 -6.950 -3.792 1.258 559 H ALA 75 HN ALA 75 -9.530 -1.103 2.712 560 HA ALA 75 HA ALA 75 -10.058 0.671 4.779 561 HB1 ALA 75 HB1 ALA 75 -11.786 -1.234 3.247 562 HB2 ALA 75 HB2 ALA 75 -11.695 0.531 3.147 563 HB3 ALA 75 HB3 ALA 75 -12.448 -0.234 4.544 564 H LEU 76 HN LEU 76 -10.712 0.481 6.854 565 HA LEU 76 HA LEU 76 -10.001 -1.909 8.247 566 HB2 LEU 76 HB2 LEU 76 -11.399 0.583 9.239 567 HB3 LEU 76 HB1 LEU 76 -10.654 -0.652 10.247 568 HG LEU 76 HG LEU 76 -9.123 0.959 8.221 569 HD11 LEU 76 HD11 LEU 76 -9.973 2.535 9.823 570 HD12 LEU 76 HD12 LEU 76 -8.254 2.265 10.120 571 HD13 LEU 76 HD13 LEU 76 -9.461 1.505 11.162 572 HD21 LEU 76 HD21 LEU 76 -8.254 -0.747 10.548 573 HD22 LEU 76 HD22 LEU 76 -7.180 0.210 9.527 574 HD23 LEU 76 HD23 LEU 76 -8.086 -1.138 8.837 575 H ASP 77 HN ASP 77 -12.825 -0.254 7.158 576 HA ASP 77 HA ASP 77 -14.600 -2.402 8.086 577 HB2 ASP 77 HB2 ASP 77 -15.533 0.013 6.552 578 HB3 ASP 77 HB1 ASP 77 -16.422 -0.973 7.704 579 H ARG 78 HN ARG 78 -12.545 -2.615 5.965 580 HA ARG 78 HA ARG 78 -13.467 -2.469 3.392 581 HB2 ARG 78 HB2 ARG 78 -11.699 -3.810 2.784 582 HB3 ARG 78 HB1 ARG 78 -11.165 -3.127 4.301 583 HG2 ARG 78 HG2 ARG 78 -10.787 -5.166 5.069 584 HG3 ARG 78 HG1 ARG 78 -12.506 -5.544 4.891 585 HD2 ARG 78 HD2 ARG 78 -11.913 -5.836 2.390 586 HD3 ARG 78 HD1 ARG 78 -10.257 -5.997 2.974 587 HE ARG 78 HE ARG 78 -11.695 -7.745 4.506 588 HH11 ARG 78 HH11 ARG 78 -11.227 -7.280 1.085 589 HH12 ARG 78 HH12 ARG 78 -11.449 -8.954 0.697 590 HH21 ARG 78 HH21 ARG 78 -11.991 -9.951 4.003 591 HH22 ARG 78 HH22 ARG 78 -11.887 -10.471 2.355 592 H GLU 79 HN GLU 79 -14.354 -4.851 5.800 593 HA GLU 79 HA GLU 79 -15.362 -6.876 4.196 594 HB2 GLU 79 HB2 GLU 79 -16.817 -5.826 6.621 595 HB3 GLU 79 HB1 GLU 79 -16.774 -7.479 6.022 596 HG2 GLU 79 HG2 GLU 79 -14.416 -7.640 6.620 597 HG3 GLU 79 HG1 GLU 79 -14.455 -5.979 7.211 598 H ALA 80 HN ALA 80 -16.408 -3.706 4.793 599 HA ALA 80 HA ALA 80 -18.842 -3.989 3.206 600 HB1 ALA 80 HB1 ALA 80 -19.308 -1.683 4.164 601 HB2 ALA 80 HB2 ALA 80 -17.904 -1.945 5.210 602 HB3 ALA 80 HB3 ALA 80 -19.304 -3.020 5.315 603 H GLU 81 HN GLU 81 -15.665 -2.622 3.265 604 HA GLU 81 HA GLU 81 -16.188 -1.195 0.728 605 HB2 GLU 81 HB2 GLU 81 -14.069 -0.315 2.654 606 HB3 GLU 81 HB1 GLU 81 -14.867 0.598 1.382 607 HG2 GLU 81 HG2 GLU 81 -16.230 -0.325 3.895 608 HG3 GLU 81 HG1 GLU 81 -15.496 1.265 3.691 609 HA PRO 82 HA PRO 82 -12.938 -4.473 -0.037 610 HB2 PRO 82 HB2 PRO 82 -13.571 -4.507 -2.754 611 HB3 PRO 82 HB1 PRO 82 -14.167 -5.652 -1.551 612 HG2 PRO 82 HG2 PRO 82 -15.494 -3.257 -2.720 613 HG3 PRO 82 HG1 PRO 82 -16.203 -4.798 -2.204 614 HD2 PRO 82 HD2 PRO 82 -16.440 -2.539 -0.751 615 HD3 PRO 82 HD1 PRO 82 -16.324 -4.139 0.006 616 H ARG 83 HN ARG 83 -13.627 -1.307 -1.128 617 HA ARG 83 HA ARG 83 -11.688 -0.877 -3.061 618 HB2 ARG 83 HB2 ARG 83 -13.010 0.921 -1.079 619 HB3 ARG 83 HB1 ARG 83 -11.693 1.533 -2.069 620 HG2 ARG 83 HG2 ARG 83 -13.043 0.582 -4.046 621 HG3 ARG 83 HG1 ARG 83 -14.388 0.566 -2.904 622 HD2 ARG 83 HD2 ARG 83 -14.083 2.957 -2.503 623 HD3 ARG 83 HD1 ARG 83 -12.729 2.977 -3.632 624 HE ARG 83 HE ARG 83 -15.294 2.064 -4.661 625 HH11 ARG 83 HH11 ARG 83 -12.972 4.647 -4.372 626 HH12 ARG 83 HH12 ARG 83 -13.604 5.535 -5.718 627 HH21 ARG 83 HH21 ARG 83 -16.128 3.225 -6.433 628 HH22 ARG 83 HH22 ARG 83 -15.397 4.727 -6.890 629 H VAL 84 HN VAL 84 -9.626 -0.513 -3.108 630 HA VAL 84 HA VAL 84 -8.107 -0.379 -0.585 631 HB VAL 84 HB VAL 84 -6.553 -1.602 -2.682 632 HG11 VAL 84 HG11 VAL 84 -6.928 -1.766 0.087 633 HG12 VAL 84 HG12 VAL 84 -5.693 -2.558 -0.890 634 HG13 VAL 84 HG13 VAL 84 -7.220 -3.383 -0.558 635 HG21 VAL 84 HG21 VAL 84 -8.883 -2.325 -3.406 636 HG22 VAL 84 HG22 VAL 84 -8.945 -3.237 -1.895 637 HG23 VAL 84 HG23 VAL 84 -7.715 -3.614 -3.102 638 H LEU 85 HN LEU 85 -5.926 0.662 -0.862 639 HA LEU 85 HA LEU 85 -5.749 2.314 -3.285 640 HB2 LEU 85 HB2 LEU 85 -6.884 3.582 -1.430 641 HB3 LEU 85 HB1 LEU 85 -5.383 3.485 -0.536 642 HG LEU 85 HG LEU 85 -4.330 4.626 -2.603 643 HD11 LEU 85 HD11 LEU 85 -7.266 5.088 -3.095 644 HD12 LEU 85 HD12 LEU 85 -6.031 4.493 -4.220 645 HD13 LEU 85 HD13 LEU 85 -6.014 6.181 -3.700 646 HD21 LEU 85 HD21 LEU 85 -4.347 5.826 -0.602 647 HD22 LEU 85 HD22 LEU 85 -6.106 5.941 -0.569 648 HD23 LEU 85 HD23 LEU 85 -5.181 6.885 -1.739 649 H ARG 86 HN ARG 86 -3.673 3.390 -3.526 650 HA ARG 86 HA ARG 86 -1.444 2.375 -1.970 651 HB2 ARG 86 HB2 ARG 86 -0.710 0.851 -3.435 652 HB3 ARG 86 HB1 ARG 86 -2.145 1.097 -4.390 653 HG2 ARG 86 HG2 ARG 86 -1.042 2.763 -5.718 654 HG3 ARG 86 HG1 ARG 86 0.383 2.682 -4.686 655 HD2 ARG 86 HD2 ARG 86 0.717 0.343 -5.329 656 HD3 ARG 86 HD1 ARG 86 -0.712 0.420 -6.358 657 HE ARG 86 HE ARG 86 1.033 2.448 -7.152 658 HH11 ARG 86 HH11 ARG 86 0.894 -1.034 -7.093 659 HH12 ARG 86 HH12 ARG 86 1.912 -1.226 -8.481 660 HH21 ARG 86 HH21 ARG 86 2.373 2.204 -8.978 661 HH22 ARG 86 HH22 ARG 86 2.754 0.614 -9.551 662 H LEU 87 HN LEU 87 0.421 3.665 -2.169 663 HA LEU 87 HA LEU 87 0.401 5.844 -4.080 664 HB2 LEU 87 HB2 LEU 87 -0.880 6.617 -2.039 665 HB3 LEU 87 HB1 LEU 87 0.606 6.433 -1.137 666 HG LEU 87 HG LEU 87 1.648 8.239 -2.176 667 HD11 LEU 87 HD11 LEU 87 -0.336 7.751 -4.348 668 HD12 LEU 87 HD12 LEU 87 1.407 8.005 -4.451 669 HD13 LEU 87 HD13 LEU 87 0.331 9.371 -4.147 670 HD21 LEU 87 HD21 LEU 87 0.147 10.072 -1.833 671 HD22 LEU 87 HD22 LEU 87 -0.225 8.822 -0.642 672 HD23 LEU 87 HD23 LEU 87 -1.258 9.029 -2.057 673 H ASN 88 HN ASN 88 2.379 6.104 -4.847 674 HA ASN 88 HA ASN 88 4.586 4.850 -3.378 675 HB2 ASN 88 HB2 ASN 88 5.778 5.205 -5.658 676 HB3 ASN 88 HB1 ASN 88 4.559 3.944 -5.514 677 HD21 ASN 88 HD21 ASN 88 2.720 4.069 -6.683 678 HD22 ASN 88 HD22 ASN 88 2.398 5.307 -7.844 679 H GLU 89 HN GLU 89 6.806 5.965 -4.212 680 HA GLU 89 HA GLU 89 7.028 8.351 -2.730 681 HB2 GLU 89 HB2 GLU 89 9.302 8.332 -3.293 682 HB3 GLU 89 HB1 GLU 89 8.835 6.640 -3.287 683 HG2 GLU 89 HG2 GLU 89 8.982 8.298 -5.787 684 HG3 GLU 89 HG1 GLU 89 10.329 7.348 -5.166 685 H SER 90 HN SER 90 6.273 7.735 -6.043 686 HA SER 90 HA SER 90 6.878 10.409 -6.956 687 HB2 SER 90 HB2 SER 90 7.064 8.490 -8.508 688 HB3 SER 90 HB1 SER 90 5.338 8.182 -8.324 689 HG SER 90 HG SER 90 6.654 10.199 -9.721 690 H LEU 91 HN LEU 91 4.749 9.298 -4.918 691 HA LEU 91 HA LEU 91 2.778 9.959 -4.089 692 HB2 LEU 91 HB2 LEU 91 3.618 12.359 -5.630 693 HB3 LEU 91 HB1 LEU 91 2.135 12.347 -4.696 694 HG LEU 91 HG LEU 91 4.663 13.012 -3.795 695 HD11 LEU 91 HD11 LEU 91 3.604 13.372 -1.694 696 HD12 LEU 91 HD12 LEU 91 2.336 12.209 -2.080 697 HD13 LEU 91 HD13 LEU 91 2.432 13.735 -2.962 698 HD21 LEU 91 HD21 LEU 91 5.213 10.587 -3.658 699 HD22 LEU 91 HD22 LEU 91 3.906 10.412 -2.486 700 HD23 LEU 91 HD23 LEU 91 5.294 11.432 -2.112 701 H THR 92 HN THR 92 2.851 8.469 -6.571 702 HA THR 92 HA THR 92 0.378 9.331 -7.899 703 HB THR 92 HB THR 92 2.405 7.218 -8.648 704 HG1 THR 92 HG1 THR 92 2.252 8.898 -10.572 705 HG21 THR 92 HG21 THR 92 -0.117 8.058 -10.082 706 HG22 THR 92 HG22 THR 92 0.186 6.491 -9.329 707 HG23 THR 92 HG23 THR 92 1.120 6.987 -10.743 708 H ALA 93 HN ALA 93 -1.433 8.501 -7.044 709 HA ALA 93 HA ALA 93 -1.242 5.936 -5.628 710 HB1 ALA 93 HB1 ALA 93 -3.003 6.570 -4.292 711 HB2 ALA 93 HB2 ALA 93 -3.633 7.704 -5.483 712 HB3 ALA 93 HB3 ALA 93 -2.179 8.107 -4.563 713 H VAL 94 HN VAL 94 -2.804 4.389 -5.797 714 HA VAL 94 HA VAL 94 -4.700 4.577 -8.004 715 HB VAL 94 HB VAL 94 -2.718 3.450 -8.985 716 HG11 VAL 94 HG11 VAL 94 -2.539 2.195 -6.504 717 HG12 VAL 94 HG12 VAL 94 -1.570 1.853 -7.938 718 HG13 VAL 94 HG13 VAL 94 -3.032 0.921 -7.620 719 HG21 VAL 94 HG21 VAL 94 -5.231 1.837 -8.590 720 HG22 VAL 94 HG22 VAL 94 -3.953 1.353 -9.706 721 HG23 VAL 94 HG23 VAL 94 -4.804 2.880 -9.950 722 H VAL 95 HN VAL 95 -6.546 3.807 -7.564 723 HA VAL 95 HA VAL 95 -6.929 2.399 -5.033 724 HB VAL 95 HB VAL 95 -8.118 4.448 -5.121 725 HG11 VAL 95 HG11 VAL 95 -7.929 4.724 -7.569 726 HG12 VAL 95 HG12 VAL 95 -9.561 5.074 -6.969 727 HG13 VAL 95 HG13 VAL 95 -9.233 3.542 -7.780 728 HG21 VAL 95 HG21 VAL 95 -10.404 3.758 -4.882 729 HG22 VAL 95 HG22 VAL 95 -9.371 2.465 -4.265 730 HG23 VAL 95 HG23 VAL 95 -10.121 2.317 -5.856 731 H CYS 96 HN CYS 96 -8.257 0.628 -4.890 732 HA CYS 96 HA CYS 96 -8.979 -0.685 -7.410 733 HB2 CYS 96 HB2 CYS 96 -7.760 -1.814 -4.903 734 HB3 CYS 96 HB1 CYS 96 -8.714 -2.832 -5.975 735 H GLY 97 HN GLY 97 -10.863 -1.962 -7.366 736 HA2 GLY 97 HA2 GLY 97 -12.769 -1.019 -5.341 737 HA3 GLY 97 HA1 GLY 97 -13.196 -1.527 -6.971 738 H LYS 98 HN LYS 98 -10.882 -3.548 -6.004 739 HA LYS 98 HA LYS 98 -12.529 -5.358 -4.449 740 HB2 LYS 98 HB2 LYS 98 -12.697 -5.589 -7.132 741 HB3 LYS 98 HB1 LYS 98 -11.294 -6.584 -6.841 742 HG2 LYS 98 HG2 LYS 98 -14.033 -6.912 -5.665 743 HG3 LYS 98 HG1 LYS 98 -13.246 -7.955 -6.853 744 HD2 LYS 98 HD2 LYS 98 -12.055 -9.052 -5.266 745 HD3 LYS 98 HD1 LYS 98 -11.761 -7.584 -4.336 746 HE2 LYS 98 HE2 LYS 98 -13.135 -9.156 -3.086 747 HE3 LYS 98 HE1 LYS 98 -14.007 -7.662 -3.444 748 HZ1 LYS 98 HZ1 LYS 98 -14.276 -10.211 -4.950 749 HZ2 LYS 98 HZ2 LYS 98 -15.131 -8.783 -5.257 750 HZ3 LYS 98 HZ3 LYS 98 -15.383 -9.624 -3.811 751 H MET 99 HN MET 99 -11.297 -6.262 -2.964 752 HA MET 99 HA MET 99 -8.430 -6.599 -3.536 753 HB2 MET 99 HB2 MET 99 -9.305 -4.934 -1.652 754 HB3 MET 99 HB1 MET 99 -9.372 -6.412 -0.721 755 HG2 MET 99 HG2 MET 99 -6.910 -6.492 -1.989 756 HG3 MET 99 HG1 MET 99 -7.098 -4.820 -1.458 757 HE1 MET 99 HE1 MET 99 -7.760 -8.385 1.288 758 HE2 MET 99 HE2 MET 99 -6.945 -8.607 -0.262 759 HE3 MET 99 HE3 MET 99 -8.593 -7.980 -0.218 760 H LYS 100 HN LYS 100 -8.129 -8.647 -3.978 761 HA LYS 100 HA LYS 100 -9.761 -10.666 -2.627 762 HB2 LYS 100 HB2 LYS 100 -7.840 -11.079 -4.911 763 HB3 LYS 100 HB1 LYS 100 -9.109 -12.169 -4.367 764 HG2 LYS 100 HG2 LYS 100 -10.805 -10.806 -5.221 765 HG3 LYS 100 HG1 LYS 100 -9.727 -9.417 -5.380 766 HD2 LYS 100 HD2 LYS 100 -8.485 -10.579 -7.137 767 HD3 LYS 100 HD1 LYS 100 -9.556 -11.973 -6.975 768 HE2 LYS 100 HE2 LYS 100 -11.456 -10.647 -7.673 769 HE3 LYS 100 HE1 LYS 100 -10.458 -9.192 -7.732 770 HZ1 LYS 100 HZ1 LYS 100 -10.788 -10.122 -9.933 771 HZ2 LYS 100 HZ2 LYS 100 -10.125 -11.599 -9.445 772 HZ3 LYS 100 HZ3 LYS 100 -9.155 -10.215 -9.500 773 H GLY 101 HN GLY 101 -6.365 -10.534 -3.704 774 HA2 GLY 101 HA2 GLY 101 -5.598 -12.404 -1.624 775 HA3 GLY 101 HA1 GLY 101 -4.563 -11.759 -2.889 776 H LYS 102 HN LYS 102 -3.070 -10.384 -2.308 777 HA LYS 102 HA LYS 102 -1.697 -9.299 -0.821 778 HB2 LYS 102 HB2 LYS 102 -3.136 -7.119 -0.056 779 HB3 LYS 102 HB1 LYS 102 -2.305 -7.291 -1.596 780 HG2 LYS 102 HG2 LYS 102 -4.750 -8.473 -2.036 781 HG3 LYS 102 HG1 LYS 102 -5.127 -7.091 -1.013 782 HD2 LYS 102 HD2 LYS 102 -5.243 -6.374 -3.291 783 HD3 LYS 102 HD1 LYS 102 -3.782 -5.678 -2.585 784 HE2 LYS 102 HE2 LYS 102 -2.431 -7.399 -3.606 785 HE3 LYS 102 HE1 LYS 102 -3.873 -8.202 -4.226 786 HZ1 LYS 102 HZ1 LYS 102 -2.579 -6.733 -5.815 787 HZ2 LYS 102 HZ2 LYS 102 -3.212 -5.417 -4.960 788 HZ3 LYS 102 HZ3 LYS 102 -4.252 -6.496 -5.743 789 H GLY 103 HN GLY 103 -4.365 -7.948 0.893 790 HA2 GLY 103 HA2 GLY 103 -4.585 -9.781 3.018 791 HA3 GLY 103 HA1 GLY 103 -3.390 -8.557 3.436 792 H SER 104 HN SER 104 -6.090 -9.087 4.570 793 HA SER 104 HA SER 104 -7.306 -6.471 3.958 794 HB2 SER 104 HB2 SER 104 -9.449 -7.519 4.781 795 HB3 SER 104 HB1 SER 104 -8.833 -8.167 3.266 796 HG SER 104 HG SER 104 -7.838 -9.497 5.408 797 H CYS 105 HN CYS 105 -7.865 -5.127 5.586 798 HA CYS 105 HA CYS 105 -6.653 -5.420 8.112 799 HB2 CYS 105 HB2 CYS 105 -8.972 -3.622 7.398 800 HB3 CYS 105 HB1 CYS 105 -7.803 -3.388 8.682 801 H THR 106 HN THR 106 -8.203 -5.120 10.151 802 HA THR 106 HA THR 106 -9.464 -6.409 11.581 803 HB THR 106 HB THR 106 -11.106 -4.794 10.801 804 HG1 THR 106 HG1 THR 106 -12.931 -5.999 11.339 805 HG21 THR 106 HG21 THR 106 -11.759 -6.786 8.623 806 HG22 THR 106 HG22 THR 106 -10.994 -5.212 8.392 807 HG23 THR 106 HG23 THR 106 -12.659 -5.310 8.973 808 H ASP 107 HN ASP 107 -7.997 -7.914 9.504 809 HA ASP 107 HA ASP 107 -9.348 -10.451 9.854 810 HB2 ASP 107 HB2 ASP 107 -8.786 -9.277 7.120 811 HB3 ASP 107 HB1 ASP 107 -9.017 -11.004 7.391 812 H GLY 108 HN GLY 108 -6.568 -8.599 8.758 813 HA2 GLY 108 HA2 GLY 108 -4.510 -9.545 9.981 814 HA3 GLY 108 HA1 GLY 108 -4.879 -10.993 9.059 815 H GLU 109 HN GLU 109 -4.693 -7.504 8.272 816 HA GLU 109 HA GLU 109 -3.721 -7.857 5.687 817 HB2 GLU 109 HB2 GLU 109 -4.187 -5.679 7.468 818 HB3 GLU 109 HB1 GLU 109 -2.651 -5.437 6.649 819 HG2 GLU 109 HG2 GLU 109 -5.076 -6.198 5.096 820 HG3 GLU 109 HG1 GLU 109 -4.842 -4.530 5.606 821 H GLU 110 HN GLU 110 -1.757 -8.271 4.847 822 HA GLU 110 HA GLU 110 0.545 -8.153 6.655 823 HB2 GLU 110 HB2 GLU 110 1.450 -10.165 5.517 824 HB3 GLU 110 HB1 GLU 110 -0.008 -10.462 6.454 825 HG2 GLU 110 HG2 GLU 110 -1.327 -10.328 4.408 826 HG3 GLU 110 HG1 GLU 110 0.158 -10.104 3.490 827 H ILE 111 HN ILE 111 -0.323 -8.448 3.211 828 HA ILE 111 HA ILE 111 1.480 -6.276 2.581 829 HB ILE 111 HB ILE 111 2.640 -7.619 0.798 830 HG12 ILE 111 HG12 ILE 111 2.845 -10.116 1.572 831 HG13 ILE 111 HG11 ILE 111 1.266 -9.826 2.286 832 HG21 ILE 111 HG21 ILE 111 4.404 -8.220 2.232 833 HG22 ILE 111 HG22 ILE 111 3.303 -8.546 3.573 834 HG23 ILE 111 HG23 ILE 111 3.575 -6.882 3.042 835 HD11 ILE 111 HD11 ILE 111 0.626 -8.990 -0.063 836 HD12 ILE 111 HD12 ILE 111 0.757 -10.721 0.238 837 HD13 ILE 111 HD13 ILE 111 2.063 -9.870 -0.585 838 H PHE 112 HN PHE 112 1.632 -6.043 0.098 839 HA PHE 112 HA PHE 112 -1.084 -6.270 -1.002 840 HB2 PHE 112 HB2 PHE 112 -0.745 -4.006 -0.913 841 HB3 PHE 112 HB1 PHE 112 0.995 -4.144 -1.063 842 HD1 PHE 112 HD2 PHE 112 -1.914 -5.048 -3.251 843 HD2 PHE 112 HD1 PHE 112 1.799 -3.003 -2.859 844 HE1 PHE 112 HE2 PHE 112 -2.052 -4.345 -5.606 845 HE2 PHE 112 HE1 PHE 112 1.669 -2.294 -5.214 846 HZ PHE 112 HZ PHE 112 -0.262 -2.970 -6.588 847 H ARG 113 HN ARG 113 -0.594 -8.447 -1.805 848 HA ARG 113 HA ARG 113 1.381 -8.492 -3.959 849 HB2 ARG 113 HB2 ARG 113 1.106 -10.968 -3.863 850 HB3 ARG 113 HB1 ARG 113 1.690 -10.257 -2.371 851 HG2 ARG 113 HG2 ARG 113 -0.380 -10.543 -1.306 852 HG3 ARG 113 HG1 ARG 113 -1.206 -10.886 -2.832 853 HD2 ARG 113 HD2 ARG 113 0.949 -12.598 -1.622 854 HD3 ARG 113 HD1 ARG 113 -0.779 -12.898 -1.443 855 HE ARG 113 HE ARG 113 -0.349 -12.738 -4.147 856 HH11 ARG 113 HH11 ARG 113 0.872 -14.697 -1.537 857 HH12 ARG 113 HH12 ARG 113 1.157 -16.081 -2.540 858 HH21 ARG 113 HH21 ARG 113 0.022 -14.555 -5.474 859 HH22 ARG 113 HH22 ARG 113 0.674 -16.000 -4.776 860 H GLY 114 HN GLY 114 0.812 -8.326 -5.956 861 HA2 GLY 114 HA2 GLY 114 -1.365 -7.550 -7.153 862 HA3 GLY 114 HA1 GLY 114 -0.359 -8.755 -7.924 863 H ASN 115 HN ASN 115 -3.344 -8.118 -6.282 864 HA ASN 115 HA ASN 115 -4.582 -10.376 -7.531 865 HB2 ASN 115 HB2 ASN 115 -4.256 -10.305 -4.553 866 HB3 ASN 115 HB1 ASN 115 -5.537 -11.213 -5.341 867 HD21 ASN 115 HD21 ASN 115 -4.983 -12.984 -6.653 868 HD22 ASN 115 HD22 ASN 115 -3.462 -13.786 -6.483 869 H ASP 116 HN ASP 116 -4.795 -7.357 -7.246 870 HA ASP 116 HA ASP 116 -7.464 -7.114 -6.088 871 HB2 ASP 116 HB2 ASP 116 -7.069 -4.639 -6.789 872 HB3 ASP 116 HB1 ASP 116 -6.253 -5.272 -5.370 873 H ALA 117 HN ALA 117 -9.087 -5.883 -7.217 874 HA ALA 117 HA ALA 117 -8.954 -6.015 -10.148 875 HB1 ALA 117 HB1 ALA 117 -11.335 -6.991 -8.569 876 HB2 ALA 117 HB2 ALA 117 -10.105 -8.057 -9.262 877 HB3 ALA 117 HB3 ALA 117 -11.099 -7.056 -10.320 878 H GLU 118 HN GLU 118 -10.771 -4.817 -11.159 879 HA GLU 118 HA GLU 118 -11.828 -2.824 -11.479 880 HB2 GLU 118 HB2 GLU 118 -12.624 -3.571 -8.665 881 HB3 GLU 118 HB1 GLU 118 -13.307 -2.175 -9.502 882 HG2 GLU 118 HG2 GLU 118 -13.501 -5.057 -10.347 883 HG3 GLU 118 HG1 GLU 118 -14.795 -4.062 -9.678 884 H CYS 119 HN CYS 119 -9.326 -2.112 -11.300 885 HA CYS 119 HA CYS 119 -9.231 -0.034 -9.198 886 HB2 CYS 119 HB2 CYS 119 -6.751 -1.113 -10.481 887 HB3 CYS 119 HB1 CYS 119 -6.936 -0.307 -8.934 888 H ARG 120 HN ARG 120 -8.470 1.957 -9.637 889 HA ARG 120 HA ARG 120 -7.701 2.679 -12.350 890 HB2 ARG 120 HB2 ARG 120 -9.346 4.291 -12.565 891 HB3 ARG 120 HB1 ARG 120 -10.211 2.970 -11.799 892 HG2 ARG 120 HG2 ARG 120 -10.871 4.416 -10.273 893 HG3 ARG 120 HG1 ARG 120 -9.206 4.436 -9.695 894 HD2 ARG 120 HD2 ARG 120 -8.665 6.319 -10.995 895 HD3 ARG 120 HD1 ARG 120 -10.151 6.197 -11.931 896 HE ARG 120 HE ARG 120 -10.775 6.595 -9.212 897 HH11 ARG 120 HH11 ARG 120 -9.453 8.283 -11.959 898 HH12 ARG 120 HH12 ARG 120 -10.001 9.839 -11.431 899 HH21 ARG 120 HH21 ARG 120 -11.507 8.639 -8.512 900 HH22 ARG 120 HH22 ARG 120 -11.170 10.041 -9.473 901 HA PRO 121 HA PRO 121 -4.776 5.285 -10.288 902 HB2 PRO 121 HB2 PRO 121 -4.614 7.467 -11.827 903 HB3 PRO 121 HB1 PRO 121 -4.045 5.885 -12.386 904 HG2 PRO 121 HG2 PRO 121 -6.676 7.219 -12.916 905 HG3 PRO 121 HG1 PRO 121 -5.559 6.474 -14.075 906 HD2 PRO 121 HD2 PRO 121 -7.698 5.140 -13.160 907 HD3 PRO 121 HD1 PRO 121 -6.150 4.318 -13.443 908 H PHE 122 HN PHE 122 -5.023 6.329 -8.440 909 HA PHE 122 HA PHE 122 -7.194 8.293 -8.175 910 HB2 PHE 122 HB2 PHE 122 -6.545 6.058 -6.619 911 HB3 PHE 122 HB1 PHE 122 -6.004 7.435 -5.677 912 HD1 PHE 122 HD2 PHE 122 -8.934 7.542 -7.939 913 HD2 PHE 122 HD1 PHE 122 -7.543 7.247 -3.935 914 HE1 PHE 122 HE2 PHE 122 -11.222 7.937 -7.118 915 HE2 PHE 122 HE1 PHE 122 -9.817 7.629 -3.102 916 HZ PHE 122 HZ PHE 122 -11.669 7.983 -4.696 917 H THR 123 HN THR 123 -6.827 10.293 -7.296 918 HA THR 123 HA THR 123 -4.032 10.975 -6.676 919 HB THR 123 HB THR 123 -4.411 13.204 -7.697 920 HG1 THR 123 HG1 THR 123 -6.600 13.436 -7.767 921 HG21 THR 123 HG21 THR 123 -3.286 11.435 -8.946 922 HG22 THR 123 HG22 THR 123 -4.226 12.476 -10.013 923 HG23 THR 123 HG23 THR 123 -4.839 10.882 -9.569 924 H GLY 124 HN GLY 124 -4.050 11.270 -4.549 925 HA2 GLY 124 HA2 GLY 124 -6.268 12.212 -3.059 926 HA3 GLY 124 HA1 GLY 124 -4.626 12.030 -2.468 Start of MODEL 5 1 H1 HIS 6 HT1 HIS 6 -20.317 5.328 -4.382 2 H2 HIS 6 HT2 HIS 6 -19.822 6.569 -3.345 3 H3 HIS 6 HT3 HIS 6 -21.257 6.726 -4.227 4 HA HIS 6 HA HIS 6 -21.716 6.205 -1.925 5 HB2 HIS 6 HB2 HIS 6 -22.327 3.982 -3.887 6 HB3 HIS 6 HB1 HIS 6 -23.126 4.184 -2.330 7 HD1 HIS 6 HD1 HIS 6 -23.225 5.303 -5.822 8 HD2 HIS 6 HD2 HIS 6 -24.760 6.565 -2.173 9 HE1 HIS 6 HE1 HIS 6 -25.050 6.937 -6.390 10 HE2 HIS 6 HE2 HIS 6 -26.019 7.624 -4.168 11 H ARG 7 HN ARG 7 -19.590 3.914 -3.531 12 HA ARG 7 HA ARG 7 -19.162 2.491 -1.004 13 HB2 ARG 7 HB2 ARG 7 -19.521 1.431 -3.414 14 HB3 ARG 7 HB1 ARG 7 -17.780 1.683 -3.505 15 HG2 ARG 7 HG2 ARG 7 -18.760 0.401 -1.046 16 HG3 ARG 7 HG1 ARG 7 -18.903 -0.542 -2.532 17 HD2 ARG 7 HD2 ARG 7 -16.370 0.818 -1.665 18 HD3 ARG 7 HD1 ARG 7 -16.749 -0.842 -1.255 19 HE ARG 7 HE ARG 7 -15.677 0.054 -3.682 20 HH11 ARG 7 HH11 ARG 7 -18.139 -2.122 -2.509 21 HH12 ARG 7 HH12 ARG 7 -18.061 -3.156 -3.895 22 HH21 ARG 7 HH21 ARG 7 -15.572 -1.307 -5.505 23 HH22 ARG 7 HH22 ARG 7 -16.607 -2.694 -5.597 24 H SER 8 HN SER 8 -17.863 5.078 -2.668 25 HA SER 8 HA SER 8 -15.145 4.813 -2.652 26 HB2 SER 8 HB2 SER 8 -16.751 7.227 -1.766 27 HB3 SER 8 HB1 SER 8 -15.021 7.261 -2.114 28 HG SER 8 HG SER 8 -17.126 6.634 -3.914 29 H ALA 9 HN ALA 9 -14.329 3.523 -1.092 30 HA ALA 9 HA ALA 9 -14.901 3.630 1.639 31 HB1 ALA 9 HB1 ALA 9 -12.371 2.662 0.321 32 HB2 ALA 9 HB2 ALA 9 -13.861 1.721 0.476 33 HB3 ALA 9 HB3 ALA 9 -12.969 2.214 1.920 34 H ASN 10 HN ASN 10 -12.757 3.860 3.138 35 HA ASN 10 HA ASN 10 -12.303 6.693 3.202 36 HB2 ASN 10 HB2 ASN 10 -11.259 4.478 4.975 37 HB3 ASN 10 HB1 ASN 10 -11.073 6.201 5.294 38 HD21 ASN 10 HD21 ASN 10 -12.433 4.097 6.827 39 HD22 ASN 10 HD22 ASN 10 -14.058 4.646 7.032 40 H LEU 11 HN LEU 11 -11.169 5.570 0.867 41 HA LEU 11 HA LEU 11 -8.446 4.958 1.020 42 HB2 LEU 11 HB2 LEU 11 -9.695 6.636 -1.141 43 HB3 LEU 11 HB1 LEU 11 -8.294 5.608 -1.262 44 HG LEU 11 HG LEU 11 -10.889 4.357 -0.590 45 HD11 LEU 11 HD11 LEU 11 -11.404 5.908 -2.403 46 HD12 LEU 11 HD12 LEU 11 -11.483 4.229 -2.945 47 HD13 LEU 11 HD13 LEU 11 -10.080 5.224 -3.352 48 HD21 LEU 11 HD21 LEU 11 -8.697 3.469 -2.447 49 HD22 LEU 11 HD22 LEU 11 -9.986 2.488 -1.746 50 HD23 LEU 11 HD23 LEU 11 -8.700 3.121 -0.718 51 H ARG 12 HN ARG 12 -10.150 7.856 1.454 52 HA ARG 12 HA ARG 12 -8.193 9.753 0.793 53 HB2 ARG 12 HB2 ARG 12 -9.955 10.559 2.980 54 HB3 ARG 12 HB1 ARG 12 -9.764 11.258 1.379 55 HG2 ARG 12 HG2 ARG 12 -11.483 8.892 2.113 56 HG3 ARG 12 HG1 ARG 12 -12.038 10.512 1.697 57 HD2 ARG 12 HD2 ARG 12 -10.517 8.672 -0.152 58 HD3 ARG 12 HD1 ARG 12 -12.269 8.885 -0.163 59 HE ARG 12 HE ARG 12 -10.820 11.349 -0.458 60 HH11 ARG 12 HH11 ARG 12 -12.092 8.571 -2.132 61 HH12 ARG 12 HH12 ARG 12 -12.204 9.381 -3.659 62 HH21 ARG 12 HH21 ARG 12 -10.962 12.424 -2.465 63 HH22 ARG 12 HH22 ARG 12 -11.561 11.570 -3.849 64 H ALA 13 HN ALA 13 -9.002 8.184 3.856 65 HA ALA 13 HA ALA 13 -7.075 9.526 5.426 66 HB1 ALA 13 HB1 ALA 13 -8.162 6.738 5.784 67 HB2 ALA 13 HB2 ALA 13 -8.927 8.212 6.383 68 HB3 ALA 13 HB3 ALA 13 -7.357 7.712 7.015 69 H ALA 14 HN ALA 14 -7.039 6.668 3.463 70 HA ALA 14 HA ALA 14 -4.437 5.776 4.161 71 HB1 ALA 14 HB1 ALA 14 -5.969 5.178 1.634 72 HB2 ALA 14 HB2 ALA 14 -6.315 4.407 3.192 73 HB3 ALA 14 HB3 ALA 14 -4.741 4.181 2.422 74 H HIS 15 HN HIS 15 -5.769 7.760 1.598 75 HA HIS 15 HA HIS 15 -3.670 7.951 -0.127 76 HB2 HIS 15 HB2 HIS 15 -6.020 9.504 0.548 77 HB3 HIS 15 HB1 HIS 15 -4.683 10.560 0.126 78 HD1 HIS 15 HD1 HIS 15 -3.414 9.616 -2.212 79 HD2 HIS 15 HD2 HIS 15 -7.447 8.808 -1.629 80 HE1 HIS 15 HE1 HIS 15 -4.337 9.112 -4.487 81 HE2 HIS 15 HE2 HIS 15 -6.807 8.918 -4.133 82 H ALA 16 HN ALA 16 -4.137 9.396 3.022 83 HA ALA 16 HA ALA 16 -1.720 10.984 2.857 84 HB1 ALA 16 HB1 ALA 16 -3.597 10.535 5.175 85 HB2 ALA 16 HB2 ALA 16 -3.637 11.897 4.055 86 HB3 ALA 16 HB3 ALA 16 -2.259 11.682 5.137 87 H ALA 17 HN ALA 17 -2.730 7.874 4.026 88 HA ALA 17 HA ALA 17 -0.521 7.469 5.797 89 HB1 ALA 17 HB1 ALA 17 -2.478 6.183 6.186 90 HB2 ALA 17 HB2 ALA 17 -1.185 5.081 5.703 91 HB3 ALA 17 HB3 ALA 17 -2.443 5.537 4.543 92 H LEU 18 HN LEU 18 -1.337 5.957 2.658 93 HA LEU 18 HA LEU 18 1.166 4.814 2.177 94 HB2 LEU 18 HB2 LEU 18 -0.823 5.896 0.170 95 HB3 LEU 18 HB1 LEU 18 0.514 4.837 -0.223 96 HG LEU 18 HG LEU 18 -1.024 3.214 -0.105 97 HD11 LEU 18 HD11 LEU 18 -1.425 2.242 2.072 98 HD12 LEU 18 HD12 LEU 18 -0.885 3.730 2.850 99 HD13 LEU 18 HD13 LEU 18 0.254 2.760 1.913 100 HD21 LEU 18 HD21 LEU 18 -2.784 4.785 1.727 101 HD22 LEU 18 HD22 LEU 18 -3.228 3.533 0.563 102 HD23 LEU 18 HD23 LEU 18 -2.687 5.120 -0.005 103 H LEU 19 HN LEU 19 0.012 8.034 1.960 104 HA LEU 19 HA LEU 19 2.201 9.091 0.420 105 HB2 LEU 19 HB2 LEU 19 0.201 10.347 0.341 106 HB3 LEU 19 HB1 LEU 19 -0.029 10.258 2.070 107 HG LEU 19 HG LEU 19 0.674 12.501 0.961 108 HD11 LEU 19 HD11 LEU 19 1.755 13.171 3.001 109 HD12 LEU 19 HD12 LEU 19 2.136 11.494 3.387 110 HD13 LEU 19 HD13 LEU 19 0.457 12.033 3.375 111 HD21 LEU 19 HD21 LEU 19 2.655 11.302 -0.157 112 HD22 LEU 19 HD22 LEU 19 3.420 11.411 1.429 113 HD23 LEU 19 HD23 LEU 19 2.937 12.880 0.581 114 H GLU 20 HN GLU 20 1.191 9.036 3.785 115 HA GLU 20 HA GLU 20 3.337 10.286 5.008 116 HB2 GLU 20 HB2 GLU 20 1.251 9.652 6.165 117 HB3 GLU 20 HB1 GLU 20 1.716 7.963 6.041 118 HG2 GLU 20 HG2 GLU 20 2.299 8.503 8.199 119 HG3 GLU 20 HG1 GLU 20 3.822 8.658 7.320 120 H ASN 21 HN ASN 21 2.978 7.158 3.626 121 HA ASN 21 HA ASN 21 5.449 6.114 4.700 122 HB2 ASN 21 HB2 ASN 21 4.085 4.307 4.326 123 HB3 ASN 21 HB1 ASN 21 3.238 5.083 2.994 124 HD21 ASN 21 HD21 ASN 21 4.045 4.925 0.926 125 HD22 ASN 21 HD22 ASN 21 5.292 3.807 0.501 126 H ALA 22 HN ALA 22 4.110 7.107 1.595 127 HA ALA 22 HA ALA 22 6.169 6.743 -0.130 128 HB1 ALA 22 HB1 ALA 22 5.270 8.555 -1.461 129 HB2 ALA 22 HB2 ALA 22 4.431 9.209 -0.054 130 HB3 ALA 22 HB3 ALA 22 3.946 7.650 -0.724 131 H ARG 23 HN ARG 23 5.890 9.321 2.258 132 HA ARG 23 HA ARG 23 8.193 10.752 1.307 133 HB2 ARG 23 HB2 ARG 23 8.026 11.967 3.460 134 HB3 ARG 23 HB1 ARG 23 6.500 11.936 2.587 135 HG2 ARG 23 HG2 ARG 23 5.644 10.232 4.062 136 HG3 ARG 23 HG1 ARG 23 7.210 10.100 4.865 137 HD2 ARG 23 HD2 ARG 23 5.570 11.435 6.142 138 HD3 ARG 23 HD1 ARG 23 7.023 12.339 5.715 139 HE ARG 23 HE ARG 23 5.076 12.763 3.740 140 HH11 ARG 23 HH11 ARG 23 5.697 13.521 7.085 141 HH12 ARG 23 HH12 ARG 23 4.795 15.000 7.049 142 HH21 ARG 23 HH21 ARG 23 3.892 14.706 3.684 143 HH22 ARG 23 HH22 ARG 23 3.771 15.676 5.115 144 H PHE 24 HN PHE 24 7.514 8.476 3.922 145 HA PHE 24 HA PHE 24 10.144 8.320 4.915 146 HB2 PHE 24 HB2 PHE 24 7.620 6.934 5.318 147 HB3 PHE 24 HB1 PHE 24 8.979 5.821 5.372 148 HD1 PHE 24 HD2 PHE 24 10.827 6.232 7.005 149 HD2 PHE 24 HD1 PHE 24 7.178 8.422 7.085 150 HE1 PHE 24 HE2 PHE 24 11.305 6.936 9.313 151 HE2 PHE 24 HE1 PHE 24 7.651 9.131 9.393 152 HZ PHE 24 HZ PHE 24 9.716 8.387 10.510 153 H MET 25 HN MET 25 8.587 7.090 2.140 154 HA MET 25 HA MET 25 10.494 5.005 1.546 155 HB2 MET 25 HB2 MET 25 8.397 6.361 -0.186 156 HB3 MET 25 HB1 MET 25 9.336 4.956 -0.660 157 HG2 MET 25 HG2 MET 25 7.303 5.103 1.547 158 HG3 MET 25 HG1 MET 25 7.107 4.317 -0.013 159 HE1 MET 25 HE1 MET 25 9.848 3.976 3.150 160 HE2 MET 25 HE2 MET 25 8.774 2.733 3.804 161 HE3 MET 25 HE3 MET 25 8.144 4.339 3.425 162 H GLU 26 HN GLU 26 9.652 8.213 0.431 163 HA GLU 26 HA GLU 26 11.695 8.626 -1.430 164 HB2 GLU 26 HB2 GLU 26 9.765 10.274 0.112 165 HB3 GLU 26 HB1 GLU 26 11.150 11.125 -0.533 166 HG2 GLU 26 HG2 GLU 26 10.576 10.246 -2.780 167 HG3 GLU 26 HG1 GLU 26 9.124 9.541 -2.074 168 H GLN 27 HN GLN 27 11.584 8.677 2.005 169 HA GLN 27 HA GLN 27 14.066 10.116 2.335 170 HB2 GLN 27 HB2 GLN 27 12.095 8.880 4.199 171 HB3 GLN 27 HB1 GLN 27 13.672 9.377 4.778 172 HG2 GLN 27 HG2 GLN 27 11.819 11.209 3.313 173 HG3 GLN 27 HG1 GLN 27 11.807 11.032 5.064 174 HE21 GLN 27 HE21 GLN 27 12.398 13.372 3.438 175 HE22 GLN 27 HE22 GLN 27 13.993 13.873 3.873 176 H PHE 28 HN PHE 28 12.867 6.830 3.011 177 HA PHE 28 HA PHE 28 15.172 5.656 3.918 178 HB2 PHE 28 HB2 PHE 28 12.955 4.517 3.709 179 HB3 PHE 28 HB1 PHE 28 13.250 4.375 1.985 180 HD1 PHE 28 HD2 PHE 28 14.281 3.211 5.304 181 HD2 PHE 28 HD1 PHE 28 14.792 2.765 1.103 182 HE1 PHE 28 HE2 PHE 28 15.487 1.099 5.678 183 HE2 PHE 28 HE1 PHE 28 15.995 0.648 1.469 184 HZ PHE 28 HZ PHE 28 16.347 -0.183 3.759 185 H TYR 29 HN TYR 29 14.194 6.334 0.611 186 HA TYR 29 HA TYR 29 16.485 5.165 -0.628 187 HB2 TYR 29 HB2 TYR 29 14.443 5.505 -1.915 188 HB3 TYR 29 HB1 TYR 29 14.483 7.232 -1.591 189 HD1 TYR 29 HD1 TYR 29 16.191 4.502 -3.411 190 HD2 TYR 29 HD2 TYR 29 15.744 8.705 -2.950 191 HE1 TYR 29 HE1 TYR 29 17.459 4.857 -5.486 192 HE2 TYR 29 HE2 TYR 29 17.013 9.075 -5.024 193 HH TYR 29 HH TYR 29 17.705 6.590 -7.221 194 H ALA 30 HN ALA 30 15.536 8.402 0.425 195 HA ALA 30 HA ALA 30 17.834 9.767 -0.507 196 HB1 ALA 30 HB1 ALA 30 15.892 11.035 0.035 197 HB2 ALA 30 HB2 ALA 30 17.139 11.495 1.195 198 HB3 ALA 30 HB3 ALA 30 15.849 10.390 1.675 199 H LYS 31 HN LYS 31 17.371 7.543 1.985 200 HA LYS 31 HA LYS 31 19.744 8.424 3.472 201 HB2 LYS 31 HB2 LYS 31 17.674 6.353 4.232 202 HB3 LYS 31 HB1 LYS 31 18.972 6.948 5.255 203 HG2 LYS 31 HG2 LYS 31 17.885 8.867 5.756 204 HG3 LYS 31 HG1 LYS 31 17.092 8.960 4.182 205 HD2 LYS 31 HD2 LYS 31 15.440 7.392 4.802 206 HD3 LYS 31 HD1 LYS 31 16.362 6.868 6.215 207 HE2 LYS 31 HE2 LYS 31 15.148 9.602 5.851 208 HE3 LYS 31 HE1 LYS 31 14.434 8.297 6.796 209 HZ1 LYS 31 HZ1 LYS 31 16.370 8.329 8.240 210 HZ2 LYS 31 HZ2 LYS 31 15.642 9.856 8.196 211 HZ3 LYS 31 HZ3 LYS 31 17.064 9.574 7.326 212 H LYS 32 HN LYS 32 18.457 5.926 1.450 213 HA LYS 32 HA LYS 32 20.894 4.324 1.818 214 HB2 LYS 32 HB2 LYS 32 18.038 3.599 1.457 215 HB3 LYS 32 HB1 LYS 32 19.236 2.554 0.719 216 HG2 LYS 32 HG2 LYS 32 19.546 3.336 3.572 217 HG3 LYS 32 HG1 LYS 32 18.371 2.095 3.135 218 HD2 LYS 32 HD2 LYS 32 20.105 0.773 2.087 219 HD3 LYS 32 HD1 LYS 32 21.296 2.039 2.396 220 HE2 LYS 32 HE2 LYS 32 19.816 0.408 4.458 221 HE3 LYS 32 HE1 LYS 32 21.522 0.268 4.033 222 HZ1 LYS 32 HZ1 LYS 32 20.219 2.630 5.277 223 HZ2 LYS 32 HZ2 LYS 32 21.847 2.543 4.827 224 HZ3 LYS 32 HZ3 LYS 32 21.255 1.537 6.051 225 H GLY 33 HN GLY 33 18.422 4.064 -0.667 226 HA2 GLY 33 HA2 GLY 33 19.126 5.327 -2.841 227 HA3 GLY 33 HA1 GLY 33 20.508 4.244 -2.719 228 H SER 34 HN SER 34 18.261 2.455 -1.399 229 HA SER 34 HA SER 34 16.666 1.640 -3.636 230 HB2 SER 34 HB2 SER 34 17.586 -0.626 -3.841 231 HB3 SER 34 HB1 SER 34 18.816 0.578 -4.229 232 HG SER 34 HG SER 34 19.577 -1.094 -2.825 233 H PHE 35 HN PHE 35 15.427 -0.465 -2.983 234 HA PHE 35 HA PHE 35 14.896 -0.256 -0.100 235 HB2 PHE 35 HB2 PHE 35 13.113 -0.272 -2.395 236 HB3 PHE 35 HB1 PHE 35 12.642 -1.464 -1.181 237 HD1 PHE 35 HD1 PHE 35 13.575 2.101 -1.585 238 HD2 PHE 35 HD2 PHE 35 11.500 -0.805 0.725 239 HE1 PHE 35 HE1 PHE 35 12.624 3.893 -0.199 240 HE2 PHE 35 HE2 PHE 35 10.541 0.982 2.116 241 HZ PHE 35 HZ PHE 35 11.105 3.335 1.654 242 H LYS 36 HN LYS 36 13.875 -2.822 -2.370 243 HA LYS 36 HA LYS 36 14.623 -4.782 -0.425 244 HB2 LYS 36 HB2 LYS 36 12.741 -5.239 -1.837 245 HB3 LYS 36 HB1 LYS 36 13.725 -5.119 -3.289 246 HG2 LYS 36 HG2 LYS 36 14.769 -7.153 -2.893 247 HG3 LYS 36 HG1 LYS 36 14.377 -7.131 -1.173 248 HD2 LYS 36 HD2 LYS 36 12.952 -8.753 -2.097 249 HD3 LYS 36 HD1 LYS 36 11.942 -7.321 -1.895 250 HE2 LYS 36 HE2 LYS 36 11.621 -8.470 -4.072 251 HE3 LYS 36 HE1 LYS 36 12.127 -6.787 -4.227 252 HZ1 LYS 36 HZ1 LYS 36 14.403 -7.568 -4.586 253 HZ2 LYS 36 HZ2 LYS 36 13.346 -8.178 -5.756 254 HZ3 LYS 36 HZ3 LYS 36 13.876 -9.173 -4.495 255 H LEU 37 HN LEU 37 16.138 -6.513 -0.763 256 HA LEU 37 HA LEU 37 18.474 -5.588 -2.297 257 HB2 LEU 37 HB2 LEU 37 19.518 -7.210 -0.361 258 HB3 LEU 37 HB1 LEU 37 19.470 -5.459 -0.314 259 HG LEU 37 HG LEU 37 17.298 -7.196 0.878 260 HD11 LEU 37 HD11 LEU 37 18.336 -6.794 3.037 261 HD12 LEU 37 HD12 LEU 37 19.665 -5.937 2.257 262 HD13 LEU 37 HD13 LEU 37 19.440 -7.662 1.970 263 HD21 LEU 37 HD21 LEU 37 17.941 -4.265 0.918 264 HD22 LEU 37 HD22 LEU 37 17.029 -5.010 2.230 265 HD23 LEU 37 HD23 LEU 37 16.401 -5.065 0.579 266 H THR 38 HN THR 38 16.467 -8.345 -1.494 267 HA THR 38 HA THR 38 17.776 -9.843 -3.633 268 HB THR 38 HB THR 38 18.943 -10.488 -1.524 269 HG1 THR 38 HG1 THR 38 17.358 -12.653 -2.452 270 HG21 THR 38 HG21 THR 38 17.061 -10.192 0.013 271 HG22 THR 38 HG22 THR 38 17.718 -11.828 0.129 272 HG23 THR 38 HG23 THR 38 16.217 -11.540 -0.755 273 H SER 39 HN SER 39 16.590 -12.067 -3.842 274 HA SER 39 HA SER 39 13.799 -11.483 -4.161 275 HB2 SER 39 HB2 SER 39 13.655 -13.730 -5.150 276 HB3 SER 39 HB1 SER 39 15.011 -12.838 -5.839 277 HG SER 39 HG SER 39 16.289 -13.957 -4.141 278 H THR 40 HN THR 40 12.190 -12.050 -2.906 279 HA THR 40 HA THR 40 10.975 -12.898 -1.199 280 HB THR 40 HB THR 40 11.420 -14.995 -0.220 281 HG1 THR 40 HG1 THR 40 13.847 -15.656 -1.103 282 HG21 THR 40 HG21 THR 40 11.802 -16.417 -2.114 283 HG22 THR 40 HG22 THR 40 12.632 -15.122 -2.974 284 HG23 THR 40 HG23 THR 40 10.900 -14.995 -2.646 285 H LYS 41 HN LYS 41 12.387 -10.686 -0.816 286 HA LYS 41 HA LYS 41 13.319 -10.858 1.978 287 HB2 LYS 41 HB2 LYS 41 14.849 -10.092 -0.092 288 HB3 LYS 41 HB1 LYS 41 14.094 -8.550 0.270 289 HG2 LYS 41 HG2 LYS 41 15.488 -10.199 2.356 290 HG3 LYS 41 HG1 LYS 41 16.326 -9.007 1.364 291 HD2 LYS 41 HD2 LYS 41 14.065 -8.522 3.298 292 HD3 LYS 41 HD1 LYS 41 15.739 -7.978 3.440 293 HE2 LYS 41 HE2 LYS 41 15.368 -6.694 1.302 294 HE3 LYS 41 HE1 LYS 41 13.654 -7.057 1.479 295 HZ1 LYS 41 HZ1 LYS 41 14.193 -4.890 2.397 296 HZ2 LYS 41 HZ2 LYS 41 15.316 -5.585 3.453 297 HZ3 LYS 41 HZ3 LYS 41 13.671 -5.936 3.621 298 H TRP 42 HN TRP 42 12.512 -9.193 3.406 299 HA TRP 42 HA TRP 42 10.321 -7.613 2.231 300 HB2 TRP 42 HB2 TRP 42 10.195 -9.621 4.344 301 HB3 TRP 42 HB1 TRP 42 9.465 -8.084 4.787 302 HD1 TRP 42 HD1 TRP 42 8.694 -7.967 1.365 303 HE1 TRP 42 HE1 TRP 42 6.434 -9.045 0.801 304 HE3 TRP 42 HE3 TRP 42 7.998 -10.708 5.630 305 HZ2 TRP 42 HZ2 TRP 42 4.601 -10.799 1.985 306 HZ3 TRP 42 HZ3 TRP 42 5.953 -12.064 5.830 307 HH2 TRP 42 HH2 TRP 42 4.289 -12.110 4.044 308 HA PRO 43 HA PRO 43 12.585 -4.428 4.611 309 HB2 PRO 43 HB2 PRO 43 11.723 -2.368 3.061 310 HB3 PRO 43 HB1 PRO 43 13.103 -3.375 2.604 311 HG2 PRO 43 HG2 PRO 43 10.258 -3.526 1.678 312 HG3 PRO 43 HG1 PRO 43 11.751 -3.640 0.726 313 HD2 PRO 43 HD2 PRO 43 10.335 -5.825 1.476 314 HD3 PRO 43 HD1 PRO 43 12.106 -5.845 1.310 315 H GLU 44 HN GLU 44 11.580 -3.641 6.448 316 HA GLU 44 HA GLU 44 8.839 -3.890 6.845 317 HB2 GLU 44 HB2 GLU 44 10.732 -3.753 8.558 318 HB3 GLU 44 HB1 GLU 44 10.502 -2.020 8.433 319 HG2 GLU 44 HG2 GLU 44 7.953 -2.856 8.758 320 HG3 GLU 44 HG1 GLU 44 8.834 -4.050 9.710 321 H LEU 45 HN LEU 45 7.163 -2.511 6.960 322 HA LEU 45 HA LEU 45 7.322 -0.119 5.304 323 HB2 LEU 45 HB2 LEU 45 4.903 -0.222 5.319 324 HB3 LEU 45 HB1 LEU 45 5.562 -1.801 4.929 325 HG LEU 45 HG LEU 45 5.085 -1.478 7.764 326 HD11 LEU 45 HD11 LEU 45 2.831 -1.012 5.899 327 HD12 LEU 45 HD12 LEU 45 3.309 -0.088 7.326 328 HD13 LEU 45 HD13 LEU 45 2.596 -1.694 7.509 329 HD21 LEU 45 HD21 LEU 45 3.599 -3.565 7.017 330 HD22 LEU 45 HD22 LEU 45 5.334 -3.641 7.339 331 HD23 LEU 45 HD23 LEU 45 4.750 -3.486 5.683 332 HA PRO 46 HA PRO 46 7.024 2.626 8.778 333 HB2 PRO 46 HB2 PRO 46 6.222 4.882 7.544 334 HB3 PRO 46 HB1 PRO 46 7.848 4.219 7.345 335 HG2 PRO 46 HG2 PRO 46 5.517 4.109 5.502 336 HG3 PRO 46 HG1 PRO 46 7.242 4.235 5.127 337 HD2 PRO 46 HD2 PRO 46 5.720 1.910 5.010 338 HD3 PRO 46 HD1 PRO 46 7.488 1.980 5.073 339 H VAL 47 HN VAL 47 4.285 3.624 6.694 340 HA VAL 47 HA VAL 47 2.609 3.863 9.033 341 HB VAL 47 HB VAL 47 2.429 5.452 7.069 342 HG11 VAL 47 HG11 VAL 47 1.046 4.759 5.183 343 HG12 VAL 47 HG12 VAL 47 1.039 3.112 5.808 344 HG13 VAL 47 HG13 VAL 47 2.552 3.845 5.266 345 HG21 VAL 47 HG21 VAL 47 0.022 5.673 7.238 346 HG22 VAL 47 HG22 VAL 47 0.719 5.296 8.812 347 HG23 VAL 47 HG23 VAL 47 -0.099 4.037 7.886 348 H LYS 48 HN LYS 48 1.079 2.500 9.713 349 HA LYS 48 HA LYS 48 0.550 0.098 8.098 350 HB2 LYS 48 HB2 LYS 48 0.433 0.126 11.100 351 HB3 LYS 48 HB1 LYS 48 0.553 -1.258 10.023 352 HG2 LYS 48 HG2 LYS 48 2.735 -1.271 10.384 353 HG3 LYS 48 HG1 LYS 48 2.841 0.275 9.537 354 HD2 LYS 48 HD2 LYS 48 2.350 -0.093 12.494 355 HD3 LYS 48 HD1 LYS 48 3.875 0.398 11.754 356 HE2 LYS 48 HE2 LYS 48 2.755 2.396 10.842 357 HE3 LYS 48 HE1 LYS 48 1.265 1.914 11.658 358 HZ1 LYS 48 HZ1 LYS 48 2.467 3.565 12.940 359 HZ2 LYS 48 HZ2 LYS 48 3.839 2.577 12.992 360 HZ3 LYS 48 HZ3 LYS 48 2.422 2.096 13.780 361 H GLU 49 HN GLU 49 -0.714 2.881 9.152 362 HA GLU 49 HA GLU 49 -3.405 2.056 8.720 363 HB2 GLU 49 HB2 GLU 49 -2.986 1.319 11.086 364 HB3 GLU 49 HB1 GLU 49 -2.778 3.013 11.502 365 HG2 GLU 49 HG2 GLU 49 -5.036 3.509 10.908 366 HG3 GLU 49 HG1 GLU 49 -5.270 1.890 10.253 367 H ALA 50 HN ALA 50 -4.652 3.699 8.161 368 HA ALA 50 HA ALA 50 -3.505 6.390 8.108 369 HB1 ALA 50 HB1 ALA 50 -5.379 4.854 6.420 370 HB2 ALA 50 HB2 ALA 50 -4.175 6.058 5.970 371 HB3 ALA 50 HB3 ALA 50 -5.735 6.570 6.606 372 H GLY 51 HN GLY 51 -6.844 5.312 8.117 373 HA2 GLY 51 HA2 GLY 51 -7.491 6.329 10.714 374 HA3 GLY 51 HA1 GLY 51 -8.029 7.404 9.424 375 H GLY 52 HN GLY 52 -8.476 5.340 7.529 376 HA2 GLY 52 HA2 GLY 52 -10.704 3.829 8.697 377 HA3 GLY 52 HA1 GLY 52 -10.908 4.723 7.200 378 H PHE 53 HN PHE 53 -7.866 3.884 7.011 379 HA PHE 53 HA PHE 53 -8.335 1.198 5.892 380 HB2 PHE 53 HB2 PHE 53 -6.927 3.562 4.722 381 HB3 PHE 53 HB1 PHE 53 -6.257 1.974 4.414 382 HD1 PHE 53 HD1 PHE 53 -9.782 3.209 4.524 383 HD2 PHE 53 HD2 PHE 53 -6.689 1.401 2.258 384 HE1 PHE 53 HE1 PHE 53 -11.341 2.903 2.658 385 HE2 PHE 53 HE2 PHE 53 -8.240 1.081 0.384 386 HZ PHE 53 HZ PHE 53 -10.574 1.835 0.580 387 H CYS 54 HN CYS 54 -6.336 -0.128 5.808 388 HA CYS 54 HA CYS 54 -4.382 0.651 7.856 389 HB2 CYS 54 HB2 CYS 54 -4.188 -1.663 8.583 390 HB3 CYS 54 HB1 CYS 54 -5.863 -1.148 8.715 391 H ILE 55 HN ILE 55 -2.266 0.260 7.386 392 HA ILE 55 HA ILE 55 -1.800 -0.455 4.581 393 HB ILE 55 HB ILE 55 -0.240 1.407 6.354 394 HG12 ILE 55 HG12 ILE 55 -1.139 3.062 4.573 395 HG13 ILE 55 HG11 ILE 55 -2.313 1.801 4.222 396 HG21 ILE 55 HG21 ILE 55 0.845 2.057 4.176 397 HG22 ILE 55 HG22 ILE 55 0.137 0.596 3.484 398 HG23 ILE 55 HG23 ILE 55 1.291 0.475 4.814 399 HD11 ILE 55 HD11 ILE 55 -1.942 2.885 6.982 400 HD12 ILE 55 HD12 ILE 55 -3.305 1.977 6.317 401 HD13 ILE 55 HD13 ILE 55 -3.015 3.639 5.803 402 H ARG 56 HN ARG 56 0.023 -1.502 3.951 403 HA ARG 56 HA ARG 56 1.858 -2.689 5.867 404 HB2 ARG 56 HB2 ARG 56 -0.220 -4.251 4.352 405 HB3 ARG 56 HB1 ARG 56 1.353 -4.973 4.654 406 HG2 ARG 56 HG2 ARG 56 -0.510 -3.923 6.771 407 HG3 ARG 56 HG1 ARG 56 -0.322 -5.618 6.317 408 HD2 ARG 56 HD2 ARG 56 2.059 -5.488 6.944 409 HD3 ARG 56 HD1 ARG 56 1.813 -3.823 7.466 410 HE ARG 56 HE ARG 56 0.057 -5.713 8.738 411 HH11 ARG 56 HH11 ARG 56 3.177 -4.163 8.852 412 HH12 ARG 56 HH12 ARG 56 3.389 -4.429 10.550 413 HH21 ARG 56 HH21 ARG 56 0.332 -6.068 10.975 414 HH22 ARG 56 HH22 ARG 56 1.774 -5.512 11.755 415 H MET 57 HN MET 57 3.677 -3.688 4.786 416 HA MET 57 HA MET 57 4.591 -2.218 2.595 417 HB2 MET 57 HB2 MET 57 5.946 -3.508 4.351 418 HB3 MET 57 HB1 MET 57 5.687 -4.916 3.329 419 HG2 MET 57 HG2 MET 57 6.559 -2.998 1.559 420 HG3 MET 57 HG1 MET 57 7.514 -2.687 3.010 421 HE1 MET 57 HE1 MET 57 7.384 -6.655 0.709 422 HE2 MET 57 HE2 MET 57 6.255 -5.312 0.540 423 HE3 MET 57 HE3 MET 57 6.193 -6.346 1.970 424 H SER 58 HN SER 58 5.129 -2.921 0.452 425 HA SER 58 HA SER 58 3.130 -3.876 -1.085 426 HB2 SER 58 HB2 SER 58 5.014 -2.888 -2.158 427 HB3 SER 58 HB1 SER 58 6.108 -4.125 -1.522 428 HG SER 58 HG SER 58 5.702 -4.736 -3.579 429 H GLY 59 HN GLY 59 3.351 -5.947 -2.535 430 HA2 GLY 59 HA2 GLY 59 2.289 -8.065 -1.260 431 HA3 GLY 59 HA1 GLY 59 3.168 -8.212 -2.758 432 H GLN 60 HN GLN 60 3.803 -10.268 -2.324 433 HA GLN 60 HA GLN 60 5.096 -11.116 0.022 434 HB2 GLN 60 HB2 GLN 60 5.925 -12.887 -1.884 435 HB3 GLN 60 HB1 GLN 60 4.419 -12.975 -0.993 436 HG2 GLN 60 HG2 GLN 60 3.246 -11.838 -2.757 437 HG3 GLN 60 HG1 GLN 60 4.759 -11.656 -3.656 438 HE21 GLN 60 HE21 GLN 60 2.297 -13.875 -2.595 439 HE22 GLN 60 HE22 GLN 60 2.714 -15.168 -3.663 440 H ALA 61 HN ALA 61 7.209 -11.505 0.470 441 HA ALA 61 HA ALA 61 9.121 -9.672 -0.128 442 HB1 ALA 61 HB1 ALA 61 9.790 -12.541 0.441 443 HB2 ALA 61 HB2 ALA 61 9.153 -11.437 1.661 444 HB3 ALA 61 HB3 ALA 61 10.698 -11.096 0.881 445 H LYS 62 HN LYS 62 8.204 -12.364 -2.145 446 HA LYS 62 HA LYS 62 10.613 -12.320 -3.713 447 HB2 LYS 62 HB2 LYS 62 9.390 -14.380 -3.524 448 HB3 LYS 62 HB1 LYS 62 7.941 -13.626 -4.150 449 HG2 LYS 62 HG2 LYS 62 8.578 -14.557 -6.084 450 HG3 LYS 62 HG1 LYS 62 9.657 -13.165 -6.187 451 HD2 LYS 62 HD2 LYS 62 10.910 -15.177 -6.633 452 HD3 LYS 62 HD1 LYS 62 11.425 -14.503 -5.086 453 HE2 LYS 62 HE2 LYS 62 10.044 -16.106 -3.898 454 HE3 LYS 62 HE1 LYS 62 9.442 -16.752 -5.428 455 HZ1 LYS 62 HZ1 LYS 62 11.171 -18.160 -4.562 456 HZ2 LYS 62 HZ2 LYS 62 12.246 -16.859 -4.453 457 HZ3 LYS 62 HZ3 LYS 62 11.734 -17.405 -5.969 458 H GLY 63 HN GLY 63 7.465 -10.841 -3.858 459 HA2 GLY 63 HA2 GLY 63 8.195 -9.471 -6.361 460 HA3 GLY 63 HA1 GLY 63 6.544 -9.787 -5.851 461 H ILE 64 HN ILE 64 9.448 -8.323 -4.450 462 HA ILE 64 HA ILE 64 7.729 -6.189 -3.414 463 HB ILE 64 HB ILE 64 10.328 -7.269 -2.375 464 HG12 ILE 64 HG12 ILE 64 8.712 -8.683 -1.603 465 HG13 ILE 64 HG11 ILE 64 8.663 -7.455 -0.341 466 HG21 ILE 64 HG21 ILE 64 9.879 -5.694 -0.448 467 HG22 ILE 64 HG22 ILE 64 8.790 -4.833 -1.540 468 HG23 ILE 64 HG23 ILE 64 10.505 -4.968 -1.931 469 HD11 ILE 64 HD11 ILE 64 6.725 -7.987 -2.551 470 HD12 ILE 64 HD12 ILE 64 6.830 -6.376 -1.819 471 HD13 ILE 64 HD13 ILE 64 6.443 -7.775 -0.818 472 H LEU 65 HN LEU 65 8.157 -4.179 -3.484 473 HA LEU 65 HA LEU 65 8.820 -2.858 -5.624 474 HB2 LEU 65 HB2 LEU 65 9.813 -1.115 -3.861 475 HB3 LEU 65 HB1 LEU 65 8.100 -1.406 -4.083 476 HG LEU 65 HG LEU 65 8.453 -3.187 -2.234 477 HD11 LEU 65 HD11 LEU 65 10.232 -2.564 -0.653 478 HD12 LEU 65 HD12 LEU 65 10.816 -1.369 -1.814 479 HD13 LEU 65 HD13 LEU 65 10.877 -3.089 -2.211 480 HD21 LEU 65 HD21 LEU 65 8.747 -0.448 -1.153 481 HD22 LEU 65 HD22 LEU 65 7.560 -1.698 -0.764 482 HD23 LEU 65 HD23 LEU 65 7.392 -0.749 -2.245 483 H GLU 66 HN GLU 66 10.463 -2.168 -6.798 484 HA GLU 66 HA GLU 66 13.188 -2.177 -5.802 485 HB2 GLU 66 HB2 GLU 66 12.337 -3.942 -8.107 486 HB3 GLU 66 HB1 GLU 66 14.008 -3.516 -7.766 487 HG2 GLU 66 HG2 GLU 66 13.456 -4.476 -5.394 488 HG3 GLU 66 HG1 GLU 66 12.161 -5.299 -6.264 489 H GLY 67 HN GLY 67 13.766 -0.170 -6.322 490 HA2 GLY 67 HA2 GLY 67 14.216 1.668 -7.672 491 HA3 GLY 67 HA1 GLY 67 13.591 0.756 -9.050 492 H LYS 68 HN LYS 68 11.443 0.382 -6.689 493 HA LYS 68 HA LYS 68 9.868 2.810 -7.144 494 HB2 LYS 68 HB2 LYS 68 8.058 1.707 -8.055 495 HB3 LYS 68 HB1 LYS 68 9.327 0.639 -8.649 496 HG2 LYS 68 HG2 LYS 68 8.952 -0.911 -6.857 497 HG3 LYS 68 HG1 LYS 68 7.806 0.184 -6.088 498 HD2 LYS 68 HD2 LYS 68 6.278 -0.071 -7.959 499 HD3 LYS 68 HD1 LYS 68 7.440 -1.120 -8.780 500 HE2 LYS 68 HE2 LYS 68 7.327 -2.676 -6.860 501 HE3 LYS 68 HE1 LYS 68 6.083 -1.650 -6.138 502 HZ1 LYS 68 HZ1 LYS 68 5.855 -3.023 -8.767 503 HZ2 LYS 68 HZ2 LYS 68 4.659 -2.082 -8.031 504 HZ3 LYS 68 HZ3 LYS 68 5.134 -3.543 -7.327 505 H PHE 69 HN PHE 69 8.826 3.425 -5.232 506 HA PHE 69 HA PHE 69 8.728 1.357 -3.133 507 HB2 PHE 69 HB2 PHE 69 8.752 4.190 -2.261 508 HB3 PHE 69 HB1 PHE 69 9.501 2.772 -1.532 509 HD1 PHE 69 HD2 PHE 69 11.278 1.748 -3.544 510 HD2 PHE 69 HD1 PHE 69 10.352 5.784 -2.592 511 HE1 PHE 69 HE2 PHE 69 13.451 2.454 -4.452 512 HE2 PHE 69 HE1 PHE 69 12.523 6.502 -3.501 513 HZ PHE 69 HZ PHE 69 14.072 4.835 -4.433 514 H THR 70 HN THR 70 6.701 0.779 -2.609 515 HA THR 70 HA THR 70 4.596 2.802 -2.559 516 HB THR 70 HB THR 70 4.051 0.299 -4.130 517 HG1 THR 70 HG1 THR 70 5.402 2.631 -4.956 518 HG21 THR 70 HG21 THR 70 2.043 1.432 -3.583 519 HG22 THR 70 HG22 THR 70 2.406 1.986 -5.217 520 HG23 THR 70 HG23 THR 70 2.767 3.022 -3.840 521 H LEU 71 HN LEU 71 2.909 2.355 -1.235 522 HA LEU 71 HA LEU 71 2.814 -0.301 0.026 523 HB2 LEU 71 HB2 LEU 71 2.393 2.402 1.278 524 HB3 LEU 71 HB1 LEU 71 1.892 0.910 2.036 525 HG LEU 71 HG LEU 71 4.589 2.061 1.714 526 HD11 LEU 71 HD11 LEU 71 3.086 0.568 3.834 527 HD12 LEU 71 HD12 LEU 71 3.621 2.250 3.846 528 HD13 LEU 71 HD13 LEU 71 4.802 0.946 3.968 529 HD21 LEU 71 HD21 LEU 71 5.144 0.109 0.591 530 HD22 LEU 71 HD22 LEU 71 4.003 -0.864 1.516 531 HD23 LEU 71 HD23 LEU 71 5.488 -0.291 2.273 532 H LYS 72 HN LYS 72 0.716 -1.054 0.599 533 HA LYS 72 HA LYS 72 -1.455 0.447 -0.700 534 HB2 LYS 72 HB2 LYS 72 -1.153 -1.551 -1.968 535 HB3 LYS 72 HB1 LYS 72 -1.056 -2.534 -0.510 536 HG2 LYS 72 HG2 LYS 72 -3.300 -2.594 -0.222 537 HG3 LYS 72 HG1 LYS 72 -3.541 -0.980 -0.888 538 HD2 LYS 72 HD2 LYS 72 -2.914 -3.451 -2.497 539 HD3 LYS 72 HD1 LYS 72 -4.518 -2.753 -2.296 540 HE2 LYS 72 HE2 LYS 72 -3.645 -0.641 -3.297 541 HE3 LYS 72 HE1 LYS 72 -2.134 -1.484 -3.635 542 HZ1 LYS 72 HZ1 LYS 72 -3.382 -3.064 -4.994 543 HZ2 LYS 72 HZ2 LYS 72 -3.559 -1.483 -5.569 544 HZ3 LYS 72 HZ3 LYS 72 -4.812 -2.210 -4.696 545 H ALA 73 HN ALA 73 -3.315 0.697 0.301 546 HA ALA 73 HA ALA 73 -3.438 -0.105 3.122 547 HB1 ALA 73 HB1 ALA 73 -4.878 2.223 1.879 548 HB2 ALA 73 HB2 ALA 73 -3.216 2.358 2.452 549 HB3 ALA 73 HB3 ALA 73 -4.515 1.943 3.586 550 H VAL 74 HN VAL 74 -5.432 -0.754 3.940 551 HA VAL 74 HA VAL 74 -7.498 -1.398 1.951 552 HB VAL 74 HB VAL 74 -6.215 -3.199 3.974 553 HG11 VAL 74 HG11 VAL 74 -8.522 -3.471 4.502 554 HG12 VAL 74 HG12 VAL 74 -8.084 -4.823 3.458 555 HG13 VAL 74 HG13 VAL 74 -8.981 -3.457 2.799 556 HG21 VAL 74 HG21 VAL 74 -5.864 -4.631 2.153 557 HG22 VAL 74 HG22 VAL 74 -5.527 -3.009 1.533 558 HG23 VAL 74 HG23 VAL 74 -7.064 -3.800 1.158 559 H ALA 75 HN ALA 75 -9.582 -1.116 2.616 560 HA ALA 75 HA ALA 75 -10.118 0.631 4.702 561 HB1 ALA 75 HB1 ALA 75 -12.508 -0.170 4.427 562 HB2 ALA 75 HB2 ALA 75 -11.883 -1.277 3.198 563 HB3 ALA 75 HB3 ALA 75 -11.708 0.472 2.994 564 H LEU 76 HN LEU 76 -10.758 0.428 6.772 565 HA LEU 76 HA LEU 76 -10.089 -1.979 8.158 566 HB2 LEU 76 HB2 LEU 76 -11.419 0.551 9.143 567 HB3 LEU 76 HB1 LEU 76 -10.717 -0.703 10.159 568 HG LEU 76 HG LEU 76 -9.119 0.828 8.125 569 HD11 LEU 76 HD11 LEU 76 -9.407 1.445 11.060 570 HD12 LEU 76 HD12 LEU 76 -10.000 2.434 9.725 571 HD13 LEU 76 HD13 LEU 76 -8.264 2.202 9.946 572 HD21 LEU 76 HD21 LEU 76 -8.180 -0.630 10.581 573 HD22 LEU 76 HD22 LEU 76 -7.221 -0.054 9.218 574 HD23 LEU 76 HD23 LEU 76 -8.334 -1.407 9.005 575 H ASP 77 HN ASP 77 -12.882 -0.257 7.117 576 HA ASP 77 HA ASP 77 -14.703 -2.347 8.084 577 HB2 ASP 77 HB2 ASP 77 -15.560 0.116 6.570 578 HB3 ASP 77 HB1 ASP 77 -16.495 -0.863 7.692 579 H ARG 78 HN ARG 78 -12.702 -2.631 5.935 580 HA ARG 78 HA ARG 78 -13.631 -2.473 3.378 581 HB2 ARG 78 HB2 ARG 78 -11.962 -3.946 2.769 582 HB3 ARG 78 HB1 ARG 78 -11.361 -3.188 4.223 583 HG2 ARG 78 HG2 ARG 78 -11.131 -5.151 5.222 584 HG3 ARG 78 HG1 ARG 78 -12.806 -5.590 4.857 585 HD2 ARG 78 HD2 ARG 78 -12.096 -6.117 2.547 586 HD3 ARG 78 HD1 ARG 78 -10.426 -5.844 3.040 587 HE ARG 78 HE ARG 78 -11.372 -7.698 4.816 588 HH11 ARG 78 HH11 ARG 78 -11.152 -7.517 1.343 589 HH12 ARG 78 HH12 ARG 78 -10.981 -9.228 1.138 590 HH21 ARG 78 HH21 ARG 78 -11.146 -9.950 4.554 591 HH22 ARG 78 HH22 ARG 78 -10.978 -10.612 2.962 592 H GLU 79 HN GLU 79 -14.685 -4.750 5.806 593 HA GLU 79 HA GLU 79 -15.775 -6.745 4.204 594 HB2 GLU 79 HB2 GLU 79 -17.205 -5.593 6.599 595 HB3 GLU 79 HB1 GLU 79 -17.245 -7.252 6.013 596 HG2 GLU 79 HG2 GLU 79 -14.869 -7.490 6.628 597 HG3 GLU 79 HG1 GLU 79 -14.907 -5.856 7.290 598 H ALA 80 HN ALA 80 -16.639 -3.516 4.768 599 HA ALA 80 HA ALA 80 -19.069 -3.659 3.158 600 HB1 ALA 80 HB1 ALA 80 -19.503 -2.665 5.262 601 HB2 ALA 80 HB2 ALA 80 -19.407 -1.326 4.117 602 HB3 ALA 80 HB3 ALA 80 -18.037 -1.681 5.180 603 H GLU 81 HN GLU 81 -15.816 -2.503 3.242 604 HA GLU 81 HA GLU 81 -16.228 -1.049 0.700 605 HB2 GLU 81 HB2 GLU 81 -14.137 -0.266 2.705 606 HB3 GLU 81 HB1 GLU 81 -14.791 0.665 1.368 607 HG2 GLU 81 HG2 GLU 81 -16.360 -0.098 3.811 608 HG3 GLU 81 HG1 GLU 81 -15.511 1.434 3.613 609 HA PRO 82 HA PRO 82 -13.066 -4.439 0.030 610 HB2 PRO 82 HB2 PRO 82 -13.679 -4.531 -2.684 611 HB3 PRO 82 HB1 PRO 82 -14.329 -5.621 -1.457 612 HG2 PRO 82 HG2 PRO 82 -15.555 -3.209 -2.702 613 HG3 PRO 82 HG1 PRO 82 -16.324 -4.716 -2.173 614 HD2 PRO 82 HD2 PRO 82 -16.511 -2.428 -0.763 615 HD3 PRO 82 HD1 PRO 82 -16.454 -4.016 0.025 616 H ARG 83 HN ARG 83 -13.691 -1.288 -1.123 617 HA ARG 83 HA ARG 83 -11.767 -0.894 -3.066 618 HB2 ARG 83 HB2 ARG 83 -13.018 0.919 -1.050 619 HB3 ARG 83 HB1 ARG 83 -11.693 1.511 -2.041 620 HG2 ARG 83 HG2 ARG 83 -13.075 0.652 -4.030 621 HG3 ARG 83 HG1 ARG 83 -14.419 0.617 -2.885 622 HD2 ARG 83 HD2 ARG 83 -14.167 2.967 -2.444 623 HD3 ARG 83 HD1 ARG 83 -12.713 3.038 -3.438 624 HE ARG 83 HE ARG 83 -15.142 2.171 -4.770 625 HH11 ARG 83 HH11 ARG 83 -12.948 4.782 -4.053 626 HH12 ARG 83 HH12 ARG 83 -13.480 5.762 -5.377 627 HH21 ARG 83 HH21 ARG 83 -15.847 3.456 -6.517 628 HH22 ARG 83 HH22 ARG 83 -15.128 5.009 -6.776 629 H VAL 84 HN VAL 84 -9.688 -0.465 -3.135 630 HA VAL 84 HA VAL 84 -8.126 -0.434 -0.636 631 HB VAL 84 HB VAL 84 -6.639 -1.620 -2.811 632 HG11 VAL 84 HG11 VAL 84 -6.885 -3.554 -0.940 633 HG12 VAL 84 HG12 VAL 84 -7.221 -2.101 0.006 634 HG13 VAL 84 HG13 VAL 84 -5.706 -2.241 -0.886 635 HG21 VAL 84 HG21 VAL 84 -7.828 -3.648 -3.169 636 HG22 VAL 84 HG22 VAL 84 -8.952 -2.329 -3.500 637 HG23 VAL 84 HG23 VAL 84 -9.047 -3.208 -1.973 638 H LEU 85 HN LEU 85 -5.944 0.597 -0.920 639 HA LEU 85 HA LEU 85 -5.746 2.275 -3.321 640 HB2 LEU 85 HB2 LEU 85 -6.891 3.549 -1.478 641 HB3 LEU 85 HB1 LEU 85 -5.409 3.424 -0.557 642 HG LEU 85 HG LEU 85 -4.305 4.568 -2.603 643 HD11 LEU 85 HD11 LEU 85 -7.225 5.116 -3.111 644 HD12 LEU 85 HD12 LEU 85 -6.003 4.485 -4.232 645 HD13 LEU 85 HD13 LEU 85 -5.932 6.169 -3.702 646 HD21 LEU 85 HD21 LEU 85 -4.333 5.726 -0.566 647 HD22 LEU 85 HD22 LEU 85 -6.086 5.915 -0.590 648 HD23 LEU 85 HD23 LEU 85 -5.083 6.830 -1.718 649 H ARG 86 HN ARG 86 -3.660 3.329 -3.536 650 HA ARG 86 HA ARG 86 -1.455 2.311 -1.948 651 HB2 ARG 86 HB2 ARG 86 -0.679 0.794 -3.403 652 HB3 ARG 86 HB1 ARG 86 -2.110 1.017 -4.372 653 HG2 ARG 86 HG2 ARG 86 -1.014 2.702 -5.691 654 HG3 ARG 86 HG1 ARG 86 0.407 2.627 -4.652 655 HD2 ARG 86 HD2 ARG 86 0.721 0.268 -5.292 656 HD3 ARG 86 HD1 ARG 86 -0.665 0.393 -6.374 657 HE ARG 86 HE ARG 86 1.277 2.382 -6.957 658 HH11 ARG 86 HH11 ARG 86 0.575 -1.009 -7.350 659 HH12 ARG 86 HH12 ARG 86 1.531 -1.171 -8.785 660 HH21 ARG 86 HH21 ARG 86 2.539 2.174 -8.846 661 HH22 ARG 86 HH22 ARG 86 2.645 0.636 -9.637 662 H LEU 87 HN LEU 87 0.433 3.582 -2.165 663 HA LEU 87 HA LEU 87 0.402 5.772 -4.060 664 HB2 LEU 87 HB2 LEU 87 -0.859 6.536 -2.005 665 HB3 LEU 87 HB1 LEU 87 0.633 6.337 -1.115 666 HG LEU 87 HG LEU 87 1.672 8.147 -2.140 667 HD11 LEU 87 HD11 LEU 87 1.437 7.911 -4.417 668 HD12 LEU 87 HD12 LEU 87 0.377 9.291 -4.113 669 HD13 LEU 87 HD13 LEU 87 -0.309 7.679 -4.318 670 HD21 LEU 87 HD21 LEU 87 -0.192 8.738 -0.610 671 HD22 LEU 87 HD22 LEU 87 -1.234 8.934 -2.019 672 HD23 LEU 87 HD23 LEU 87 0.167 9.984 -1.806 673 H ASN 88 HN ASN 88 2.376 6.034 -4.840 674 HA ASN 88 HA ASN 88 4.576 4.723 -3.422 675 HB2 ASN 88 HB2 ASN 88 5.763 5.120 -5.689 676 HB3 ASN 88 HB1 ASN 88 4.510 3.888 -5.587 677 HD21 ASN 88 HD21 ASN 88 5.136 7.213 -6.530 678 HD22 ASN 88 HD22 ASN 88 3.899 7.297 -7.733 679 H GLU 89 HN GLU 89 6.801 5.808 -4.190 680 HA GLU 89 HA GLU 89 7.083 8.147 -2.657 681 HB2 GLU 89 HB2 GLU 89 9.367 8.129 -3.330 682 HB3 GLU 89 HB1 GLU 89 8.863 6.453 -3.178 683 HG2 GLU 89 HG2 GLU 89 9.966 6.301 -5.142 684 HG3 GLU 89 HG1 GLU 89 8.381 6.755 -5.765 685 H SER 90 HN SER 90 6.335 7.647 -6.000 686 HA SER 90 HA SER 90 6.964 10.359 -6.789 687 HB2 SER 90 HB2 SER 90 7.223 8.493 -8.405 688 HB3 SER 90 HB1 SER 90 5.486 8.203 -8.323 689 HG SER 90 HG SER 90 6.211 10.803 -8.888 690 H LEU 91 HN LEU 91 4.799 9.204 -4.850 691 HA LEU 91 HA LEU 91 2.807 9.846 -4.056 692 HB2 LEU 91 HB2 LEU 91 3.639 12.259 -5.582 693 HB3 LEU 91 HB1 LEU 91 2.143 12.224 -4.664 694 HG LEU 91 HG LEU 91 4.654 12.918 -3.733 695 HD11 LEU 91 HD11 LEU 91 3.566 13.216 -1.618 696 HD12 LEU 91 HD12 LEU 91 2.287 12.093 -2.080 697 HD13 LEU 91 HD13 LEU 91 2.441 13.645 -2.906 698 HD21 LEU 91 HD21 LEU 91 5.244 11.332 -2.014 699 HD22 LEU 91 HD22 LEU 91 5.272 10.531 -3.586 700 HD23 LEU 91 HD23 LEU 91 3.912 10.278 -2.491 701 H THR 92 HN THR 92 2.927 8.344 -6.520 702 HA THR 92 HA THR 92 0.478 9.187 -7.904 703 HB THR 92 HB THR 92 2.514 7.058 -8.574 704 HG1 THR 92 HG1 THR 92 2.659 8.551 -10.490 705 HG21 THR 92 HG21 THR 92 0.016 7.857 -10.073 706 HG22 THR 92 HG22 THR 92 0.305 6.311 -9.272 707 HG23 THR 92 HG23 THR 92 1.264 6.768 -10.681 708 H ALA 93 HN ALA 93 -1.358 8.383 -7.071 709 HA ALA 93 HA ALA 93 -1.208 5.839 -5.614 710 HB1 ALA 93 HB1 ALA 93 -2.987 6.503 -4.309 711 HB2 ALA 93 HB2 ALA 93 -3.570 7.652 -5.509 712 HB3 ALA 93 HB3 ALA 93 -2.121 8.019 -4.567 713 H VAL 94 HN VAL 94 -2.785 4.303 -5.782 714 HA VAL 94 HA VAL 94 -4.653 4.488 -8.009 715 HB VAL 94 HB VAL 94 -2.668 3.318 -8.946 716 HG11 VAL 94 HG11 VAL 94 -1.617 1.613 -7.934 717 HG12 VAL 94 HG12 VAL 94 -3.131 0.831 -7.483 718 HG13 VAL 94 HG13 VAL 94 -2.475 2.123 -6.479 719 HG21 VAL 94 HG21 VAL 94 -4.798 2.810 -9.906 720 HG22 VAL 94 HG22 VAL 94 -5.197 1.710 -8.584 721 HG23 VAL 94 HG23 VAL 94 -3.926 1.287 -9.733 722 H VAL 95 HN VAL 95 -6.518 3.774 -7.566 723 HA VAL 95 HA VAL 95 -6.924 2.344 -5.044 724 HB VAL 95 HB VAL 95 -8.029 4.433 -5.044 725 HG11 VAL 95 HG11 VAL 95 -7.850 4.799 -7.475 726 HG12 VAL 95 HG12 VAL 95 -9.461 5.191 -6.848 727 HG13 VAL 95 HG13 VAL 95 -9.203 3.681 -7.722 728 HG21 VAL 95 HG21 VAL 95 -10.087 2.365 -5.811 729 HG22 VAL 95 HG22 VAL 95 -10.372 3.831 -4.874 730 HG23 VAL 95 HG23 VAL 95 -9.370 2.538 -4.209 731 H CYS 96 HN CYS 96 -8.259 0.596 -4.917 732 HA CYS 96 HA CYS 96 -9.149 -0.603 -7.442 733 HB2 CYS 96 HB2 CYS 96 -7.896 -1.869 -5.012 734 HB3 CYS 96 HB1 CYS 96 -8.920 -2.802 -6.094 735 H GLY 97 HN GLY 97 -11.041 -1.920 -7.284 736 HA2 GLY 97 HA2 GLY 97 -12.843 -0.947 -5.173 737 HA3 GLY 97 HA1 GLY 97 -13.352 -1.400 -6.796 738 H LYS 98 HN LYS 98 -11.028 -3.481 -5.981 739 HA LYS 98 HA LYS 98 -12.578 -5.322 -4.382 740 HB2 LYS 98 HB2 LYS 98 -13.027 -5.464 -7.023 741 HB3 LYS 98 HB1 LYS 98 -11.574 -6.430 -6.945 742 HG2 LYS 98 HG2 LYS 98 -14.192 -6.929 -5.570 743 HG3 LYS 98 HG1 LYS 98 -13.423 -7.901 -6.825 744 HD2 LYS 98 HD2 LYS 98 -12.687 -9.156 -5.111 745 HD3 LYS 98 HD1 LYS 98 -11.511 -7.863 -4.869 746 HE2 LYS 98 HE2 LYS 98 -12.550 -8.332 -2.768 747 HE3 LYS 98 HE1 LYS 98 -13.123 -6.764 -3.339 748 HZ1 LYS 98 HZ1 LYS 98 -15.167 -7.766 -4.056 749 HZ2 LYS 98 HZ2 LYS 98 -14.907 -8.169 -2.433 750 HZ3 LYS 98 HZ3 LYS 98 -14.616 -9.313 -3.643 751 H MET 99 HN MET 99 -11.238 -6.400 -3.086 752 HA MET 99 HA MET 99 -8.434 -6.679 -3.926 753 HB2 MET 99 HB2 MET 99 -9.065 -5.034 -1.971 754 HB3 MET 99 HB1 MET 99 -9.150 -6.512 -1.031 755 HG2 MET 99 HG2 MET 99 -6.780 -6.699 -2.481 756 HG3 MET 99 HG1 MET 99 -6.849 -5.031 -1.901 757 HE1 MET 99 HE1 MET 99 -7.100 -8.809 0.630 758 HE2 MET 99 HE2 MET 99 -7.522 -8.590 -1.074 759 HE3 MET 99 HE3 MET 99 -8.594 -7.977 0.185 760 H LYS 100 HN LYS 100 -8.164 -8.694 -4.453 761 HA LYS 100 HA LYS 100 -9.759 -10.796 -3.276 762 HB2 LYS 100 HB2 LYS 100 -7.525 -11.092 -5.283 763 HB3 LYS 100 HB1 LYS 100 -8.849 -12.210 -4.973 764 HG2 LYS 100 HG2 LYS 100 -10.444 -10.624 -5.858 765 HG3 LYS 100 HG1 LYS 100 -9.164 -9.430 -6.083 766 HD2 LYS 100 HD2 LYS 100 -8.058 -10.947 -7.675 767 HD3 LYS 100 HD1 LYS 100 -9.379 -12.101 -7.473 768 HE2 LYS 100 HE2 LYS 100 -9.644 -9.282 -8.515 769 HE3 LYS 100 HE1 LYS 100 -9.653 -10.745 -9.500 770 HZ1 LYS 100 HZ1 LYS 100 -11.656 -11.461 -8.380 771 HZ2 LYS 100 HZ2 LYS 100 -11.892 -9.925 -9.049 772 HZ3 LYS 100 HZ3 LYS 100 -11.635 -10.092 -7.385 773 H GLY 101 HN GLY 101 -6.266 -10.881 -3.954 774 HA2 GLY 101 HA2 GLY 101 -5.857 -12.608 -1.665 775 HA3 GLY 101 HA1 GLY 101 -4.637 -12.100 -2.824 776 H LYS 102 HN LYS 102 -3.100 -10.918 -1.989 777 HA LYS 102 HA LYS 102 -1.917 -9.611 -0.532 778 HB2 LYS 102 HB2 LYS 102 -3.893 -7.554 -0.117 779 HB3 LYS 102 HB1 LYS 102 -2.419 -7.507 -1.072 780 HG2 LYS 102 HG2 LYS 102 -4.312 -8.962 -2.564 781 HG3 LYS 102 HG1 LYS 102 -5.118 -7.521 -1.949 782 HD2 LYS 102 HD2 LYS 102 -3.991 -6.194 -3.341 783 HD3 LYS 102 HD1 LYS 102 -2.449 -6.950 -2.927 784 HE2 LYS 102 HE2 LYS 102 -3.185 -8.879 -4.406 785 HE3 LYS 102 HE1 LYS 102 -4.458 -7.810 -4.990 786 HZ1 LYS 102 HZ1 LYS 102 -1.537 -7.288 -5.155 787 HZ2 LYS 102 HZ2 LYS 102 -2.748 -6.235 -5.687 788 HZ3 LYS 102 HZ3 LYS 102 -2.541 -7.733 -6.442 789 H GLY 103 HN GLY 103 -3.368 -7.706 1.335 790 HA2 GLY 103 HA2 GLY 103 -4.440 -9.603 3.306 791 HA3 GLY 103 HA1 GLY 103 -3.104 -8.551 3.761 792 H SER 104 HN SER 104 -5.894 -8.702 4.781 793 HA SER 104 HA SER 104 -6.579 -5.889 4.318 794 HB2 SER 104 HB2 SER 104 -8.565 -8.130 4.563 795 HB3 SER 104 HB1 SER 104 -8.939 -6.431 4.325 796 HG SER 104 HG SER 104 -8.671 -6.729 2.277 797 H CYS 105 HN CYS 105 -7.738 -4.853 5.989 798 HA CYS 105 HA CYS 105 -6.823 -5.424 8.596 799 HB2 CYS 105 HB2 CYS 105 -9.277 -3.781 8.242 800 HB3 CYS 105 HB1 CYS 105 -7.847 -3.459 9.206 801 H THR 106 HN THR 106 -8.627 -5.400 10.431 802 HA THR 106 HA THR 106 -9.894 -6.918 11.611 803 HB THR 106 HB THR 106 -11.559 -5.340 10.973 804 HG1 THR 106 HG1 THR 106 -12.545 -7.100 11.874 805 HG21 THR 106 HG21 THR 106 -12.816 -5.467 8.878 806 HG22 THR 106 HG22 THR 106 -11.819 -6.825 8.355 807 HG23 THR 106 HG23 THR 106 -11.094 -5.231 8.574 808 H ASP 107 HN ASP 107 -8.171 -8.248 9.679 809 HA ASP 107 HA ASP 107 -9.547 -10.795 9.629 810 HB2 ASP 107 HB2 ASP 107 -10.215 -9.829 7.479 811 HB3 ASP 107 HB1 ASP 107 -8.527 -9.543 7.072 812 H GLY 108 HN GLY 108 -6.652 -9.106 8.408 813 HA2 GLY 108 HA2 GLY 108 -4.687 -10.028 9.933 814 HA3 GLY 108 HA1 GLY 108 -5.032 -11.464 8.982 815 H GLU 109 HN GLU 109 -4.785 -7.987 8.216 816 HA GLU 109 HA GLU 109 -3.678 -8.359 5.684 817 HB2 GLU 109 HB2 GLU 109 -2.793 -5.925 6.146 818 HB3 GLU 109 HB1 GLU 109 -4.509 -6.242 5.927 819 HG2 GLU 109 HG2 GLU 109 -4.167 -4.754 7.785 820 HG3 GLU 109 HG1 GLU 109 -4.809 -6.296 8.345 821 H GLU 110 HN GLU 110 -1.552 -8.065 4.888 822 HA GLU 110 HA GLU 110 0.628 -8.043 6.794 823 HB2 GLU 110 HB2 GLU 110 1.679 -10.048 5.765 824 HB3 GLU 110 HB1 GLU 110 0.216 -10.389 6.678 825 HG2 GLU 110 HG2 GLU 110 -1.060 -10.466 4.628 826 HG3 GLU 110 HG1 GLU 110 0.394 -10.108 3.706 827 H ILE 111 HN ILE 111 -0.190 -8.484 3.370 828 HA ILE 111 HA ILE 111 1.516 -6.267 2.666 829 HB ILE 111 HB ILE 111 2.745 -7.576 0.924 830 HG12 ILE 111 HG12 ILE 111 3.063 -10.026 1.434 831 HG13 ILE 111 HG11 ILE 111 1.687 -9.905 2.529 832 HG21 ILE 111 HG21 ILE 111 3.665 -6.791 3.134 833 HG22 ILE 111 HG22 ILE 111 4.522 -8.131 2.365 834 HG23 ILE 111 HG23 ILE 111 3.427 -8.443 3.714 835 HD11 ILE 111 HD11 ILE 111 1.554 -10.620 -0.056 836 HD12 ILE 111 HD12 ILE 111 1.226 -8.892 -0.172 837 HD13 ILE 111 HD13 ILE 111 0.219 -9.915 0.855 838 H PHE 112 HN PHE 112 1.636 -6.156 0.135 839 HA PHE 112 HA PHE 112 -1.124 -6.400 -0.848 840 HB2 PHE 112 HB2 PHE 112 -0.718 -4.148 -0.915 841 HB3 PHE 112 HB1 PHE 112 1.012 -4.348 -1.102 842 HD1 PHE 112 HD2 PHE 112 -1.978 -5.259 -3.160 843 HD2 PHE 112 HD1 PHE 112 1.797 -3.316 -2.975 844 HE1 PHE 112 HE2 PHE 112 -2.176 -4.664 -5.537 845 HE2 PHE 112 HE1 PHE 112 1.605 -2.705 -5.354 846 HZ PHE 112 HZ PHE 112 -0.384 -3.385 -6.637 847 H ARG 113 HN ARG 113 -0.669 -8.650 -1.456 848 HA ARG 113 HA ARG 113 0.671 -8.755 -4.049 849 HB2 ARG 113 HB2 ARG 113 2.063 -10.436 -3.518 850 HB3 ARG 113 HB1 ARG 113 1.865 -9.821 -1.905 851 HG2 ARG 113 HG2 ARG 113 0.760 -12.308 -3.128 852 HG3 ARG 113 HG1 ARG 113 1.714 -12.095 -1.656 853 HD2 ARG 113 HD2 ARG 113 -0.495 -10.642 -1.114 854 HD3 ARG 113 HD1 ARG 113 -1.161 -11.958 -2.071 855 HE ARG 113 HE ARG 113 0.558 -12.516 0.245 856 HH11 ARG 113 HH11 ARG 113 -2.483 -12.846 -1.427 857 HH12 ARG 113 HH12 ARG 113 -3.102 -14.033 -0.328 858 HH21 ARG 113 HH21 ARG 113 -0.249 -14.077 1.690 859 HH22 ARG 113 HH22 ARG 113 -1.831 -14.735 1.442 860 H GLY 114 HN GLY 114 0.012 -10.669 -5.396 861 HA2 GLY 114 HA2 GLY 114 -1.626 -12.388 -5.813 862 HA3 GLY 114 HA1 GLY 114 -2.700 -11.573 -4.688 863 H ASN 115 HN ASN 115 -4.343 -10.553 -5.581 864 HA ASN 115 HA ASN 115 -3.983 -9.010 -7.995 865 HB2 ASN 115 HB2 ASN 115 -5.514 -11.576 -7.940 866 HB3 ASN 115 HB1 ASN 115 -6.067 -10.266 -8.978 867 HD21 ASN 115 HD21 ASN 115 -4.786 -9.620 -10.714 868 HD22 ASN 115 HD22 ASN 115 -3.505 -10.605 -11.325 869 H ASP 116 HN ASP 116 -5.458 -7.452 -8.304 870 HA ASP 116 HA ASP 116 -7.763 -7.311 -6.480 871 HB2 ASP 116 HB2 ASP 116 -7.071 -4.664 -7.031 872 HB3 ASP 116 HB1 ASP 116 -6.843 -5.501 -5.502 873 H ALA 117 HN ALA 117 -9.579 -6.119 -7.320 874 HA ALA 117 HA ALA 117 -9.523 -5.813 -10.255 875 HB1 ALA 117 HB1 ALA 117 -11.938 -6.688 -8.683 876 HB2 ALA 117 HB2 ALA 117 -10.784 -7.830 -9.387 877 HB3 ALA 117 HB3 ALA 117 -11.692 -6.737 -10.432 878 H GLU 118 HN GLU 118 -11.334 -4.464 -11.081 879 HA GLU 118 HA GLU 118 -12.303 -2.415 -11.244 880 HB2 GLU 118 HB2 GLU 118 -12.864 -3.041 -8.341 881 HB3 GLU 118 HB1 GLU 118 -13.635 -1.740 -9.246 882 HG2 GLU 118 HG2 GLU 118 -14.461 -3.509 -10.841 883 HG3 GLU 118 HG1 GLU 118 -13.889 -4.701 -9.673 884 H CYS 119 HN CYS 119 -9.728 -1.880 -11.256 885 HA CYS 119 HA CYS 119 -9.371 0.156 -9.147 886 HB2 CYS 119 HB2 CYS 119 -7.014 -0.991 -10.579 887 HB3 CYS 119 HB1 CYS 119 -7.106 -0.260 -8.988 888 H ARG 120 HN ARG 120 -8.625 2.105 -9.608 889 HA ARG 120 HA ARG 120 -7.919 2.862 -12.332 890 HB2 ARG 120 HB2 ARG 120 -9.563 4.467 -12.493 891 HB3 ARG 120 HB1 ARG 120 -10.418 3.196 -11.644 892 HG2 ARG 120 HG2 ARG 120 -10.924 4.665 -10.084 893 HG3 ARG 120 HG1 ARG 120 -9.214 4.714 -9.666 894 HD2 ARG 120 HD2 ARG 120 -9.741 6.941 -10.055 895 HD3 ARG 120 HD1 ARG 120 -8.979 6.401 -11.552 896 HE ARG 120 HE ARG 120 -11.784 6.081 -11.709 897 HH11 ARG 120 HH11 ARG 120 -9.306 8.531 -11.768 898 HH12 ARG 120 HH12 ARG 120 -10.234 9.630 -12.732 899 HH21 ARG 120 HH21 ARG 120 -13.014 7.524 -12.977 900 HH22 ARG 120 HH22 ARG 120 -12.342 9.059 -13.416 901 HA PRO 121 HA PRO 121 -4.772 5.261 -10.354 902 HB2 PRO 121 HB2 PRO 121 -5.540 7.356 -12.298 903 HB3 PRO 121 HB1 PRO 121 -3.948 6.663 -11.984 904 HG2 PRO 121 HG2 PRO 121 -5.269 6.010 -14.166 905 HG3 PRO 121 HG1 PRO 121 -4.468 4.734 -13.221 906 HD2 PRO 121 HD2 PRO 121 -7.375 5.511 -13.245 907 HD3 PRO 121 HD1 PRO 121 -6.635 3.917 -13.298 908 H PHE 122 HN PHE 122 -4.917 6.352 -8.509 909 HA PHE 122 HA PHE 122 -7.073 8.332 -8.200 910 HB2 PHE 122 HB2 PHE 122 -6.501 6.068 -6.662 911 HB3 PHE 122 HB1 PHE 122 -5.911 7.413 -5.708 912 HD1 PHE 122 HD2 PHE 122 -8.828 7.671 -7.970 913 HD2 PHE 122 HD1 PHE 122 -7.463 7.246 -3.967 914 HE1 PHE 122 HE2 PHE 122 -11.102 8.139 -7.148 915 HE2 PHE 122 HE1 PHE 122 -9.724 7.699 -3.134 916 HZ PHE 122 HZ PHE 122 -11.554 8.154 -4.726 917 H THR 123 HN THR 123 -6.642 10.319 -7.325 918 HA THR 123 HA THR 123 -3.833 10.898 -6.668 919 HB THR 123 HB THR 123 -4.090 13.126 -7.718 920 HG1 THR 123 HG1 THR 123 -6.576 12.025 -8.571 921 HG21 THR 123 HG21 THR 123 -4.638 10.846 -9.611 922 HG22 THR 123 HG22 THR 123 -3.064 11.240 -8.923 923 HG23 THR 123 HG23 THR 123 -3.862 12.381 -10.004 924 H GLY 124 HN GLY 124 -3.877 11.201 -4.545 925 HA2 GLY 124 HA2 GLY 124 -6.061 12.200 -3.066 926 HA3 GLY 124 HA1 GLY 124 -4.410 12.045 -2.488 Start of MODEL 6 1 H1 HIS 6 HT1 HIS 6 -23.334 3.363 -3.968 2 H2 HIS 6 HT2 HIS 6 -24.017 4.907 -4.065 3 H3 HIS 6 HT3 HIS 6 -23.928 4.115 -2.573 4 HA HIS 6 HA HIS 6 -21.636 5.061 -4.192 5 HB2 HIS 6 HB2 HIS 6 -22.774 6.038 -1.563 6 HB3 HIS 6 HB1 HIS 6 -21.272 6.609 -2.282 7 HD1 HIS 6 HD1 HIS 6 -21.463 8.542 -3.839 8 HD2 HIS 6 HD2 HIS 6 -25.113 6.656 -3.224 9 HE1 HIS 6 HE1 HIS 6 -23.165 9.975 -5.010 10 HE2 HIS 6 HE2 HIS 6 -25.377 8.860 -4.550 11 H ARG 7 HN ARG 7 -19.688 4.267 -3.675 12 HA ARG 7 HA ARG 7 -19.318 2.835 -1.157 13 HB2 ARG 7 HB2 ARG 7 -20.056 1.306 -3.159 14 HB3 ARG 7 HB1 ARG 7 -18.379 1.489 -3.655 15 HG2 ARG 7 HG2 ARG 7 -19.069 0.619 -0.876 16 HG3 ARG 7 HG1 ARG 7 -19.028 -0.534 -2.210 17 HD2 ARG 7 HD2 ARG 7 -16.777 1.167 -1.161 18 HD3 ARG 7 HD1 ARG 7 -16.889 -0.582 -1.170 19 HE ARG 7 HE ARG 7 -15.903 1.023 -3.257 20 HH11 ARG 7 HH11 ARG 7 -17.911 -1.783 -2.745 21 HH12 ARG 7 HH12 ARG 7 -17.535 -2.487 -4.282 22 HH21 ARG 7 HH21 ARG 7 -15.407 0.100 -5.278 23 HH22 ARG 7 HH22 ARG 7 -16.114 -1.418 -5.721 24 H SER 8 HN SER 8 -18.205 5.079 -1.186 25 HA SER 8 HA SER 8 -15.510 4.851 -2.337 26 HB2 SER 8 HB2 SER 8 -16.980 7.247 -1.197 27 HB3 SER 8 HB1 SER 8 -15.299 7.283 -1.740 28 HG SER 8 HG SER 8 -17.508 7.561 -3.192 29 H ALA 9 HN ALA 9 -14.507 3.526 -0.921 30 HA ALA 9 HA ALA 9 -14.787 3.504 1.848 31 HB1 ALA 9 HB1 ALA 9 -12.763 2.193 1.879 32 HB2 ALA 9 HB2 ALA 9 -12.351 2.737 0.252 33 HB3 ALA 9 HB3 ALA 9 -13.767 1.709 0.506 34 H ASN 10 HN ASN 10 -12.731 3.887 3.286 35 HA ASN 10 HA ASN 10 -12.310 6.724 3.275 36 HB2 ASN 10 HB2 ASN 10 -11.252 4.548 5.087 37 HB3 ASN 10 HB1 ASN 10 -11.006 6.271 5.353 38 HD21 ASN 10 HD21 ASN 10 -12.094 6.228 7.307 39 HD22 ASN 10 HD22 ASN 10 -13.811 6.064 7.407 40 H LEU 11 HN LEU 11 -11.191 5.641 0.947 41 HA LEU 11 HA LEU 11 -8.467 5.029 1.064 42 HB2 LEU 11 HB2 LEU 11 -9.737 6.724 -1.071 43 HB3 LEU 11 HB1 LEU 11 -8.344 5.689 -1.215 44 HG LEU 11 HG LEU 11 -10.946 4.456 -0.523 45 HD11 LEU 11 HD11 LEU 11 -11.529 4.324 -2.887 46 HD12 LEU 11 HD12 LEU 11 -10.135 5.333 -3.282 47 HD13 LEU 11 HD13 LEU 11 -11.470 5.996 -2.330 48 HD21 LEU 11 HD21 LEU 11 -10.061 2.577 -1.675 49 HD22 LEU 11 HD22 LEU 11 -8.763 3.204 -0.657 50 HD23 LEU 11 HD23 LEU 11 -8.770 3.546 -2.388 51 H ARG 12 HN ARG 12 -10.174 7.933 1.503 52 HA ARG 12 HA ARG 12 -8.214 9.827 0.849 53 HB2 ARG 12 HB2 ARG 12 -9.957 10.666 3.021 54 HB3 ARG 12 HB1 ARG 12 -9.810 11.313 1.395 55 HG2 ARG 12 HG2 ARG 12 -11.472 8.938 2.223 56 HG3 ARG 12 HG1 ARG 12 -12.074 10.546 1.829 57 HD2 ARG 12 HD2 ARG 12 -10.601 8.720 -0.078 58 HD3 ARG 12 HD1 ARG 12 -12.356 8.920 -0.022 59 HE ARG 12 HE ARG 12 -10.974 11.405 -0.366 60 HH11 ARG 12 HH11 ARG 12 -12.156 8.579 -2.028 61 HH12 ARG 12 HH12 ARG 12 -12.312 9.384 -3.553 62 HH21 ARG 12 HH21 ARG 12 -11.175 12.470 -2.373 63 HH22 ARG 12 HH22 ARG 12 -11.753 11.593 -3.750 64 H ALA 13 HN ALA 13 -8.960 8.154 3.856 65 HA ALA 13 HA ALA 13 -7.049 9.535 5.442 66 HB1 ALA 13 HB1 ALA 13 -8.907 8.208 6.391 67 HB2 ALA 13 HB2 ALA 13 -7.333 7.738 7.038 68 HB3 ALA 13 HB3 ALA 13 -8.118 6.741 5.810 69 H ALA 14 HN ALA 14 -7.031 6.673 3.476 70 HA ALA 14 HA ALA 14 -4.425 5.776 4.163 71 HB1 ALA 14 HB1 ALA 14 -6.331 4.426 3.191 72 HB2 ALA 14 HB2 ALA 14 -4.744 4.162 2.463 73 HB3 ALA 14 HB3 ALA 14 -5.938 5.164 1.630 74 H HIS 15 HN HIS 15 -5.761 7.775 1.620 75 HA HIS 15 HA HIS 15 -3.671 7.956 -0.121 76 HB2 HIS 15 HB2 HIS 15 -6.017 9.503 0.557 77 HB3 HIS 15 HB1 HIS 15 -4.680 10.570 0.162 78 HD1 HIS 15 HD1 HIS 15 -3.377 9.628 -2.173 79 HD2 HIS 15 HD2 HIS 15 -7.424 8.857 -1.643 80 HE1 HIS 15 HE1 HIS 15 -4.280 9.159 -4.463 81 HE2 HIS 15 HE2 HIS 15 -6.756 8.972 -4.140 82 H ALA 16 HN ALA 16 -4.105 9.371 3.042 83 HA ALA 16 HA ALA 16 -1.689 10.961 2.874 84 HB1 ALA 16 HB1 ALA 16 -3.580 10.484 5.176 85 HB2 ALA 16 HB2 ALA 16 -3.552 11.890 4.110 86 HB3 ALA 16 HB3 ALA 16 -2.201 11.583 5.203 87 H ALA 17 HN ALA 17 -2.700 7.844 4.020 88 HA ALA 17 HA ALA 17 -0.479 7.404 5.761 89 HB1 ALA 17 HB1 ALA 17 -2.443 5.519 4.505 90 HB2 ALA 17 HB2 ALA 17 -2.424 6.117 6.166 91 HB3 ALA 17 HB3 ALA 17 -1.162 5.012 5.613 92 H LEU 18 HN LEU 18 -1.326 5.947 2.612 93 HA LEU 18 HA LEU 18 1.176 4.810 2.096 94 HB2 LEU 18 HB2 LEU 18 -0.848 5.884 0.122 95 HB3 LEU 18 HB1 LEU 18 0.478 4.816 -0.288 96 HG LEU 18 HG LEU 18 -1.063 3.200 -0.133 97 HD11 LEU 18 HD11 LEU 18 0.248 2.780 1.886 98 HD12 LEU 18 HD12 LEU 18 -1.422 2.236 2.048 99 HD13 LEU 18 HD13 LEU 18 -0.904 3.735 2.819 100 HD21 LEU 18 HD21 LEU 18 -3.253 3.540 0.534 101 HD22 LEU 18 HD22 LEU 18 -2.711 5.139 0.002 102 HD23 LEU 18 HD23 LEU 18 -2.800 4.759 1.727 103 H LEU 19 HN LEU 19 0.006 8.026 1.929 104 HA LEU 19 HA LEU 19 2.150 9.107 0.340 105 HB2 LEU 19 HB2 LEU 19 0.160 10.367 0.317 106 HB3 LEU 19 HB1 LEU 19 -0.048 10.247 2.047 107 HG LEU 19 HG LEU 19 0.622 12.515 0.987 108 HD11 LEU 19 HD11 LEU 19 2.179 11.469 3.337 109 HD12 LEU 19 HD12 LEU 19 0.492 11.981 3.399 110 HD13 LEU 19 HD13 LEU 19 1.756 13.148 3.004 111 HD21 LEU 19 HD21 LEU 19 3.389 11.443 1.343 112 HD22 LEU 19 HD22 LEU 19 2.863 12.918 0.529 113 HD23 LEU 19 HD23 LEU 19 2.575 11.344 -0.216 114 H GLU 20 HN GLU 20 1.240 9.001 3.731 115 HA GLU 20 HA GLU 20 3.430 10.245 4.890 116 HB2 GLU 20 HB2 GLU 20 1.380 9.628 6.117 117 HB3 GLU 20 HB1 GLU 20 1.817 7.934 5.962 118 HG2 GLU 20 HG2 GLU 20 2.461 8.480 8.116 119 HG3 GLU 20 HG1 GLU 20 3.960 8.551 7.189 120 H ASN 21 HN ASN 21 3.000 7.119 3.508 121 HA ASN 21 HA ASN 21 5.501 6.047 4.486 122 HB2 ASN 21 HB2 ASN 21 4.055 4.279 4.121 123 HB3 ASN 21 HB1 ASN 21 3.262 5.064 2.761 124 HD21 ASN 21 HD21 ASN 21 4.178 4.932 0.716 125 HD22 ASN 21 HD22 ASN 21 5.385 3.759 0.331 126 H ALA 22 HN ALA 22 4.094 7.122 1.434 127 HA ALA 22 HA ALA 22 6.191 6.779 -0.295 128 HB1 ALA 22 HB1 ALA 22 5.236 8.563 -1.640 129 HB2 ALA 22 HB2 ALA 22 4.329 9.155 -0.248 130 HB3 ALA 22 HB3 ALA 22 3.950 7.577 -0.942 131 H ARG 23 HN ARG 23 5.780 9.360 2.065 132 HA ARG 23 HA ARG 23 8.034 10.861 1.116 133 HB2 ARG 23 HB2 ARG 23 7.787 12.127 3.226 134 HB3 ARG 23 HB1 ARG 23 6.275 12.010 2.331 135 HG2 ARG 23 HG2 ARG 23 5.480 10.288 3.843 136 HG3 ARG 23 HG1 ARG 23 7.028 10.294 4.691 137 HD2 ARG 23 HD2 ARG 23 5.283 11.569 5.872 138 HD3 ARG 23 HD1 ARG 23 6.671 12.559 5.426 139 HE ARG 23 HE ARG 23 4.559 12.641 3.488 140 HH11 ARG 23 HH11 ARG 23 5.716 13.989 6.488 141 HH12 ARG 23 HH12 ARG 23 4.854 15.479 6.298 142 HH21 ARG 23 HH21 ARG 23 3.421 14.599 3.233 143 HH22 ARG 23 HH22 ARG 23 3.550 15.825 4.450 144 H PHE 24 HN PHE 24 7.411 8.695 3.848 145 HA PHE 24 HA PHE 24 10.033 8.740 4.881 146 HB2 PHE 24 HB2 PHE 24 7.558 7.241 5.311 147 HB3 PHE 24 HB1 PHE 24 8.987 6.255 5.563 148 HD1 PHE 24 HD2 PHE 24 10.829 7.340 7.086 149 HD2 PHE 24 HD1 PHE 24 6.740 8.515 7.025 150 HE1 PHE 24 HE2 PHE 24 11.082 8.321 9.328 151 HE2 PHE 24 HE1 PHE 24 6.985 9.501 9.267 152 HZ PHE 24 HZ PHE 24 9.159 9.403 10.422 153 H MET 25 HN MET 25 8.594 7.143 2.184 154 HA MET 25 HA MET 25 10.723 5.210 1.904 155 HB2 MET 25 HB2 MET 25 8.344 5.941 0.184 156 HB3 MET 25 HB1 MET 25 9.544 4.748 -0.298 157 HG2 MET 25 HG2 MET 25 7.259 4.206 1.092 158 HG3 MET 25 HG1 MET 25 8.681 3.167 1.021 159 HE1 MET 25 HE1 MET 25 9.782 2.291 3.233 160 HE2 MET 25 HE2 MET 25 10.261 3.459 4.468 161 HE3 MET 25 HE3 MET 25 10.767 3.693 2.795 162 H GLU 26 HN GLU 26 9.607 8.225 0.530 163 HA GLU 26 HA GLU 26 11.628 8.596 -1.386 164 HB2 GLU 26 HB2 GLU 26 9.645 10.274 0.052 165 HB3 GLU 26 HB1 GLU 26 11.055 11.132 -0.524 166 HG2 GLU 26 HG2 GLU 26 9.122 9.538 -2.175 167 HG3 GLU 26 HG1 GLU 26 9.287 11.290 -2.133 168 H GLN 27 HN GLN 27 11.429 8.671 1.999 169 HA GLN 27 HA GLN 27 13.862 10.127 2.505 170 HB2 GLN 27 HB2 GLN 27 11.873 8.719 4.229 171 HB3 GLN 27 HB1 GLN 27 13.376 9.295 4.885 172 HG2 GLN 27 HG2 GLN 27 12.807 11.483 4.532 173 HG3 GLN 27 HG1 GLN 27 11.551 11.102 3.382 174 HE21 GLN 27 HE21 GLN 27 12.464 11.089 6.763 175 HE22 GLN 27 HE22 GLN 27 10.857 11.071 7.398 176 H PHE 28 HN PHE 28 12.699 6.791 2.947 177 HA PHE 28 HA PHE 28 14.970 5.612 3.942 178 HB2 PHE 28 HB2 PHE 28 12.773 4.480 3.624 179 HB3 PHE 28 HB1 PHE 28 13.137 4.364 1.911 180 HD1 PHE 28 HD2 PHE 28 14.018 3.156 5.255 181 HD2 PHE 28 HD1 PHE 28 14.720 2.758 1.076 182 HE1 PHE 28 HE2 PHE 28 15.199 1.035 5.657 183 HE2 PHE 28 HE1 PHE 28 15.897 0.630 1.469 184 HZ PHE 28 HZ PHE 28 16.142 -0.228 3.765 185 H TYR 29 HN TYR 29 14.135 6.347 0.607 186 HA TYR 29 HA TYR 29 16.477 5.209 -0.559 187 HB2 TYR 29 HB2 TYR 29 14.474 5.596 -1.902 188 HB3 TYR 29 HB1 TYR 29 14.534 7.317 -1.554 189 HD1 TYR 29 HD2 TYR 29 16.142 8.761 -2.680 190 HD2 TYR 29 HD1 TYR 29 15.961 4.599 -3.540 191 HE1 TYR 29 HE2 TYR 29 17.467 9.130 -4.718 192 HE2 TYR 29 HE1 TYR 29 17.283 4.956 -5.580 193 HH TYR 29 HH TYR 29 18.941 7.838 -6.217 194 H ALA 30 HN ALA 30 15.494 8.406 0.541 195 HA ALA 30 HA ALA 30 17.808 9.819 -0.239 196 HB1 ALA 30 HB1 ALA 30 15.741 10.327 1.900 197 HB2 ALA 30 HB2 ALA 30 15.839 11.050 0.294 198 HB3 ALA 30 HB3 ALA 30 17.040 11.460 1.520 199 H LYS 31 HN LYS 31 17.244 7.507 2.161 200 HA LYS 31 HA LYS 31 19.584 8.306 3.741 201 HB2 LYS 31 HB2 LYS 31 17.512 6.201 4.382 202 HB3 LYS 31 HB1 LYS 31 18.753 6.818 5.461 203 HG2 LYS 31 HG2 LYS 31 17.590 8.689 5.956 204 HG3 LYS 31 HG1 LYS 31 16.871 8.803 4.350 205 HD2 LYS 31 HD2 LYS 31 15.221 7.191 4.853 206 HD3 LYS 31 HD1 LYS 31 16.086 6.645 6.294 207 HE2 LYS 31 HE2 LYS 31 15.690 8.925 7.271 208 HE3 LYS 31 HE1 LYS 31 14.645 9.260 5.890 209 HZ1 LYS 31 HZ1 LYS 31 13.276 7.358 6.538 210 HZ2 LYS 31 HZ2 LYS 31 13.344 8.525 7.762 211 HZ3 LYS 31 HZ3 LYS 31 14.255 7.105 7.896 212 H LYS 32 HN LYS 32 18.355 5.931 1.556 213 HA LYS 32 HA LYS 32 20.775 4.301 1.922 214 HB2 LYS 32 HB2 LYS 32 17.922 3.567 1.524 215 HB3 LYS 32 HB1 LYS 32 19.145 2.530 0.819 216 HG2 LYS 32 HG2 LYS 32 19.387 3.325 3.673 217 HG3 LYS 32 HG1 LYS 32 18.224 2.081 3.220 218 HD2 LYS 32 HD2 LYS 32 19.973 0.742 2.238 219 HD3 LYS 32 HD1 LYS 32 21.159 2.018 2.527 220 HE2 LYS 32 HE2 LYS 32 20.771 1.782 4.953 221 HE3 LYS 32 HE1 LYS 32 19.655 0.456 4.625 222 HZ1 LYS 32 HZ1 LYS 32 21.829 -0.379 5.216 223 HZ2 LYS 32 HZ2 LYS 32 22.552 0.500 3.966 224 HZ3 LYS 32 HZ3 LYS 32 21.488 -0.764 3.604 225 H GLY 33 HN GLY 33 18.309 4.045 -0.569 226 HA2 GLY 33 HA2 GLY 33 19.007 5.379 -2.713 227 HA3 GLY 33 HA1 GLY 33 20.391 4.298 -2.613 228 H SER 34 HN SER 34 18.160 2.449 -1.356 229 HA SER 34 HA SER 34 16.573 1.698 -3.624 230 HB2 SER 34 HB2 SER 34 18.768 -0.183 -2.708 231 HB3 SER 34 HB1 SER 34 17.511 -0.563 -3.885 232 HG SER 34 HG SER 34 18.389 0.940 -5.279 233 H PHE 35 HN PHE 35 15.307 -0.383 -3.066 234 HA PHE 35 HA PHE 35 14.723 -0.275 -0.194 235 HB2 PHE 35 HB2 PHE 35 13.022 -0.494 -2.577 236 HB3 PHE 35 HB1 PHE 35 12.545 -1.548 -1.244 237 HD1 PHE 35 HD1 PHE 35 13.964 1.894 -1.409 238 HD2 PHE 35 HD2 PHE 35 10.798 -0.619 -0.076 239 HE1 PHE 35 HE1 PHE 35 12.936 3.805 -0.258 240 HE2 PHE 35 HE2 PHE 35 9.763 1.294 1.071 241 HZ PHE 35 HZ PHE 35 10.837 3.505 0.981 242 H LYS 36 HN LYS 36 13.805 -2.920 -2.405 243 HA LYS 36 HA LYS 36 14.725 -4.820 -0.474 244 HB2 LYS 36 HB2 LYS 36 12.880 -5.085 -2.358 245 HB3 LYS 36 HB1 LYS 36 14.251 -5.638 -3.293 246 HG2 LYS 36 HG2 LYS 36 14.719 -7.343 -1.573 247 HG3 LYS 36 HG1 LYS 36 13.249 -6.842 -0.736 248 HD2 LYS 36 HD2 LYS 36 12.756 -8.777 -2.081 249 HD3 LYS 36 HD1 LYS 36 11.955 -7.371 -2.780 250 HE2 LYS 36 HE2 LYS 36 13.806 -7.162 -4.403 251 HE3 LYS 36 HE1 LYS 36 14.520 -8.630 -3.739 252 HZ1 LYS 36 HZ1 LYS 36 11.859 -8.428 -5.042 253 HZ2 LYS 36 HZ2 LYS 36 12.519 -9.837 -4.379 254 HZ3 LYS 36 HZ3 LYS 36 13.250 -9.113 -5.722 255 H LEU 37 HN LEU 37 16.375 -6.392 -0.823 256 HA LEU 37 HA LEU 37 18.582 -5.406 -2.501 257 HB2 LEU 37 HB2 LEU 37 19.743 -6.907 -0.472 258 HB3 LEU 37 HB1 LEU 37 19.767 -5.164 -0.634 259 HG LEU 37 HG LEU 37 17.631 -6.677 0.907 260 HD11 LEU 37 HD11 LEU 37 20.131 -5.298 1.899 261 HD12 LEU 37 HD12 LEU 37 19.796 -7.030 1.946 262 HD13 LEU 37 HD13 LEU 37 18.827 -5.917 2.912 263 HD21 LEU 37 HD21 LEU 37 17.350 -4.370 1.921 264 HD22 LEU 37 HD22 LEU 37 16.803 -4.560 0.252 265 HD23 LEU 37 HD23 LEU 37 18.341 -3.761 0.595 266 H THR 38 HN THR 38 16.698 -8.106 -1.456 267 HA THR 38 HA THR 38 17.967 -9.772 -3.486 268 HB THR 38 HB THR 38 19.132 -10.211 -1.272 269 HG1 THR 38 HG1 THR 38 19.040 -12.478 -1.625 270 HG21 THR 38 HG21 THR 38 16.444 -11.422 -0.611 271 HG22 THR 38 HG22 THR 38 17.147 -9.995 0.156 272 HG23 THR 38 HG23 THR 38 17.913 -11.574 0.359 273 H SER 39 HN SER 39 16.687 -11.660 -4.023 274 HA SER 39 HA SER 39 13.903 -11.109 -3.969 275 HB2 SER 39 HB2 SER 39 15.248 -13.686 -4.801 276 HB3 SER 39 HB1 SER 39 13.632 -13.138 -5.247 277 HG SER 39 HG SER 39 16.126 -12.063 -6.040 278 H THR 40 HN THR 40 12.381 -11.811 -2.706 279 HA THR 40 HA THR 40 11.216 -12.955 -1.133 280 HB THR 40 HB THR 40 11.820 -15.058 -0.285 281 HG1 THR 40 HG1 THR 40 13.880 -15.782 -0.105 282 HG21 THR 40 HG21 THR 40 12.384 -16.326 -2.243 283 HG22 THR 40 HG22 THR 40 13.103 -14.907 -3.005 284 HG23 THR 40 HG23 THR 40 11.361 -14.967 -2.713 285 H LYS 41 HN LYS 41 12.572 -10.637 -0.599 286 HA LYS 41 HA LYS 41 13.160 -10.984 2.264 287 HB2 LYS 41 HB2 LYS 41 15.191 -10.498 0.885 288 HB3 LYS 41 HB1 LYS 41 14.481 -8.954 0.463 289 HG2 LYS 41 HG2 LYS 41 14.646 -9.532 3.334 290 HG3 LYS 41 HG1 LYS 41 16.176 -9.317 2.490 291 HD2 LYS 41 HD2 LYS 41 13.905 -7.368 2.753 292 HD3 LYS 41 HD1 LYS 41 15.586 -7.177 3.264 293 HE2 LYS 41 HE2 LYS 41 14.362 -6.789 0.625 294 HE3 LYS 41 HE1 LYS 41 15.746 -5.998 1.361 295 HZ1 LYS 41 HZ1 LYS 41 16.743 -8.423 0.988 296 HZ2 LYS 41 HZ2 LYS 41 16.846 -7.210 -0.175 297 HZ3 LYS 41 HZ3 LYS 41 15.646 -8.384 -0.298 298 H TRP 42 HN TRP 42 12.549 -9.090 3.580 299 HA TRP 42 HA TRP 42 10.462 -7.505 2.239 300 HB2 TRP 42 HB2 TRP 42 10.217 -9.318 4.535 301 HB3 TRP 42 HB1 TRP 42 9.449 -7.749 4.739 302 HD1 TRP 42 HD1 TRP 42 8.845 -7.900 1.346 303 HE1 TRP 42 HE1 TRP 42 6.688 -9.117 0.711 304 HE3 TRP 42 HE3 TRP 42 8.055 -10.488 5.689 305 HZ2 TRP 42 HZ2 TRP 42 4.883 -10.906 1.869 306 HZ3 TRP 42 HZ3 TRP 42 6.071 -11.938 5.837 307 HH2 TRP 42 HH2 TRP 42 4.516 -12.147 3.963 308 HA PRO 43 HA PRO 43 12.811 -4.252 4.444 309 HB2 PRO 43 HB2 PRO 43 11.842 -2.253 2.833 310 HB3 PRO 43 HB1 PRO 43 13.280 -3.200 2.438 311 HG2 PRO 43 HG2 PRO 43 10.478 -3.495 1.439 312 HG3 PRO 43 HG1 PRO 43 12.008 -3.637 0.553 313 HD2 PRO 43 HD2 PRO 43 10.596 -5.800 1.357 314 HD3 PRO 43 HD1 PRO 43 12.375 -5.798 1.266 315 H GLU 44 HN GLU 44 11.869 -3.406 6.273 316 HA GLU 44 HA GLU 44 9.156 -3.669 6.794 317 HB2 GLU 44 HB2 GLU 44 11.074 -3.447 8.437 318 HB3 GLU 44 HB1 GLU 44 10.885 -1.717 8.212 319 HG2 GLU 44 HG2 GLU 44 8.323 -2.508 8.663 320 HG3 GLU 44 HG1 GLU 44 9.240 -3.600 9.701 321 H LEU 45 HN LEU 45 7.443 -2.384 6.816 322 HA LEU 45 HA LEU 45 7.515 0.001 5.137 323 HB2 LEU 45 HB2 LEU 45 5.105 -0.211 5.121 324 HB3 LEU 45 HB1 LEU 45 5.828 -1.769 4.770 325 HG LEU 45 HG LEU 45 5.244 -1.353 7.597 326 HD11 LEU 45 HD11 LEU 45 3.075 -1.180 5.591 327 HD12 LEU 45 HD12 LEU 45 3.366 -0.190 7.022 328 HD13 LEU 45 HD13 LEU 45 2.797 -1.851 7.198 329 HD21 LEU 45 HD21 LEU 45 5.884 -3.495 7.062 330 HD22 LEU 45 HD22 LEU 45 4.893 -3.523 5.602 331 HD23 LEU 45 HD23 LEU 45 4.125 -3.612 7.185 332 HA PRO 46 HA PRO 46 7.128 2.769 8.576 333 HB2 PRO 46 HB2 PRO 46 6.161 4.957 7.345 334 HB3 PRO 46 HB1 PRO 46 7.811 4.380 7.088 335 HG2 PRO 46 HG2 PRO 46 5.404 4.065 5.358 336 HG3 PRO 46 HG1 PRO 46 7.081 4.362 4.895 337 HD2 PRO 46 HD2 PRO 46 5.845 1.903 4.817 338 HD3 PRO 46 HD1 PRO 46 7.595 2.147 4.909 339 H VAL 47 HN VAL 47 4.274 3.538 6.559 340 HA VAL 47 HA VAL 47 2.668 3.770 8.956 341 HB VAL 47 HB VAL 47 2.412 5.385 7.047 342 HG11 VAL 47 HG11 VAL 47 2.591 3.845 5.197 343 HG12 VAL 47 HG12 VAL 47 1.045 4.693 5.140 344 HG13 VAL 47 HG13 VAL 47 1.115 3.029 5.717 345 HG21 VAL 47 HG21 VAL 47 0.702 5.120 8.780 346 HG22 VAL 47 HG22 VAL 47 -0.074 3.870 7.808 347 HG23 VAL 47 HG23 VAL 47 0.002 5.530 7.216 348 H LYS 48 HN LYS 48 1.056 2.475 9.592 349 HA LYS 48 HA LYS 48 0.501 0.061 8.009 350 HB2 LYS 48 HB2 LYS 48 0.518 0.111 11.019 351 HB3 LYS 48 HB1 LYS 48 0.510 -1.290 9.959 352 HG2 LYS 48 HG2 LYS 48 2.705 -1.403 10.213 353 HG3 LYS 48 HG1 LYS 48 2.834 0.104 9.304 354 HD2 LYS 48 HD2 LYS 48 2.504 -0.132 12.296 355 HD3 LYS 48 HD1 LYS 48 4.007 0.247 11.452 356 HE2 LYS 48 HE2 LYS 48 2.860 2.253 10.490 357 HE3 LYS 48 HE1 LYS 48 1.489 1.905 11.545 358 HZ1 LYS 48 HZ1 LYS 48 2.992 3.561 12.498 359 HZ2 LYS 48 HZ2 LYS 48 4.263 2.445 12.469 360 HZ3 LYS 48 HZ3 LYS 48 2.919 2.170 13.460 361 H GLU 49 HN GLU 49 -0.676 2.858 9.065 362 HA GLU 49 HA GLU 49 -3.401 2.088 8.754 363 HB2 GLU 49 HB2 GLU 49 -3.110 1.345 11.050 364 HB3 GLU 49 HB1 GLU 49 -2.496 2.926 11.504 365 HG2 GLU 49 HG2 GLU 49 -4.679 3.907 10.916 366 HG3 GLU 49 HG1 GLU 49 -5.282 2.286 10.564 367 H ALA 50 HN ALA 50 -4.638 3.760 8.221 368 HA ALA 50 HA ALA 50 -3.413 6.420 8.099 369 HB1 ALA 50 HB1 ALA 50 -5.804 6.380 6.629 370 HB2 ALA 50 HB2 ALA 50 -4.998 4.846 6.296 371 HB3 ALA 50 HB3 ALA 50 -4.156 6.369 6.006 372 H GLY 51 HN GLY 51 -6.701 5.152 8.344 373 HA2 GLY 51 HA2 GLY 51 -7.378 6.281 10.825 374 HA3 GLY 51 HA1 GLY 51 -7.863 7.398 9.551 375 H GLY 52 HN GLY 52 -8.293 5.281 7.642 376 HA2 GLY 52 HA2 GLY 52 -10.611 3.865 8.749 377 HA3 GLY 52 HA1 GLY 52 -10.759 4.776 7.255 378 H PHE 53 HN PHE 53 -7.761 3.895 7.038 379 HA PHE 53 HA PHE 53 -8.268 1.209 5.935 380 HB2 PHE 53 HB2 PHE 53 -6.842 3.559 4.751 381 HB3 PHE 53 HB1 PHE 53 -6.201 1.961 4.433 382 HD1 PHE 53 HD1 PHE 53 -9.717 3.214 4.595 383 HD2 PHE 53 HD2 PHE 53 -6.648 1.433 2.269 384 HE1 PHE 53 HE1 PHE 53 -11.295 2.934 2.744 385 HE2 PHE 53 HE2 PHE 53 -8.222 1.141 0.409 386 HZ PHE 53 HZ PHE 53 -10.552 1.894 0.643 387 H CYS 54 HN CYS 54 -6.294 -0.141 5.835 388 HA CYS 54 HA CYS 54 -4.293 0.637 7.837 389 HB2 CYS 54 HB2 CYS 54 -4.123 -1.643 8.618 390 HB3 CYS 54 HB1 CYS 54 -5.809 -1.156 8.701 391 H ILE 55 HN ILE 55 -2.189 0.225 7.337 392 HA ILE 55 HA ILE 55 -1.760 -0.506 4.527 393 HB ILE 55 HB ILE 55 -0.155 1.334 6.286 394 HG12 ILE 55 HG12 ILE 55 -1.057 3.016 4.543 395 HG13 ILE 55 HG11 ILE 55 -2.247 1.774 4.181 396 HG21 ILE 55 HG21 ILE 55 1.358 0.432 4.733 397 HG22 ILE 55 HG22 ILE 55 0.870 1.990 4.058 398 HG23 ILE 55 HG23 ILE 55 0.178 0.494 3.422 399 HD11 ILE 55 HD11 ILE 55 -1.847 2.810 6.956 400 HD12 ILE 55 HD12 ILE 55 -3.225 1.928 6.285 401 HD13 ILE 55 HD13 ILE 55 -2.920 3.595 5.797 402 H ARG 56 HN ARG 56 0.050 -1.595 3.887 403 HA ARG 56 HA ARG 56 1.872 -2.785 5.810 404 HB2 ARG 56 HB2 ARG 56 -0.224 -4.341 4.321 405 HB3 ARG 56 HB1 ARG 56 1.334 -5.082 4.652 406 HG2 ARG 56 HG2 ARG 56 -0.525 -3.947 6.728 407 HG3 ARG 56 HG1 ARG 56 -0.361 -5.656 6.322 408 HD2 ARG 56 HD2 ARG 56 1.940 -5.651 7.045 409 HD3 ARG 56 HD1 ARG 56 1.884 -3.912 7.325 410 HE ARG 56 HE ARG 56 -0.108 -5.046 8.886 411 HH11 ARG 56 HH11 ARG 56 3.365 -5.184 8.629 412 HH12 ARG 56 HH12 ARG 56 3.606 -5.503 10.314 413 HH21 ARG 56 HH21 ARG 56 0.201 -5.463 11.109 414 HH22 ARG 56 HH22 ARG 56 1.808 -5.661 11.724 415 H MET 57 HN MET 57 3.732 -3.735 4.771 416 HA MET 57 HA MET 57 4.593 -2.347 2.502 417 HB2 MET 57 HB2 MET 57 5.986 -3.572 4.303 418 HB3 MET 57 HB1 MET 57 5.780 -4.988 3.281 419 HG2 MET 57 HG2 MET 57 6.575 -3.024 1.518 420 HG3 MET 57 HG1 MET 57 7.530 -2.703 2.965 421 HE1 MET 57 HE1 MET 57 7.488 -6.660 0.639 422 HE2 MET 57 HE2 MET 57 6.384 -5.308 0.400 423 HE3 MET 57 HE3 MET 57 6.249 -6.317 1.843 424 H SER 58 HN SER 58 5.139 -3.128 0.385 425 HA SER 58 HA SER 58 3.128 -4.171 -1.085 426 HB2 SER 58 HB2 SER 58 4.986 -3.159 -2.198 427 HB3 SER 58 HB1 SER 58 6.100 -4.388 -1.576 428 HG SER 58 HG SER 58 5.585 -5.613 -3.197 429 H GLY 59 HN GLY 59 3.293 -6.270 -2.452 430 HA2 GLY 59 HA2 GLY 59 2.363 -8.368 -1.026 431 HA3 GLY 59 HA1 GLY 59 3.092 -8.538 -2.601 432 H GLN 60 HN GLN 60 3.939 -10.483 -2.342 433 HA GLN 60 HA GLN 60 5.266 -11.450 -0.053 434 HB2 GLN 60 HB2 GLN 60 6.173 -13.163 -1.795 435 HB3 GLN 60 HB1 GLN 60 4.465 -13.135 -1.394 436 HG2 GLN 60 HG2 GLN 60 4.085 -11.722 -3.405 437 HG3 GLN 60 HG1 GLN 60 5.780 -11.960 -3.824 438 HE21 GLN 60 HE21 GLN 60 5.793 -14.706 -2.824 439 HE22 GLN 60 HE22 GLN 60 4.949 -15.647 -4.000 440 H ALA 61 HN ALA 61 7.370 -11.701 0.459 441 HA ALA 61 HA ALA 61 9.217 -9.759 -0.118 442 HB1 ALA 61 HB1 ALA 61 9.254 -11.483 1.731 443 HB2 ALA 61 HB2 ALA 61 10.808 -11.084 1.000 444 HB3 ALA 61 HB3 ALA 61 9.987 -12.582 0.562 445 H LYS 62 HN LYS 62 8.456 -12.602 -1.983 446 HA LYS 62 HA LYS 62 10.855 -12.605 -3.542 447 HB2 LYS 62 HB2 LYS 62 9.665 -14.650 -3.343 448 HB3 LYS 62 HB1 LYS 62 8.171 -13.908 -3.874 449 HG2 LYS 62 HG2 LYS 62 8.737 -14.977 -5.789 450 HG3 LYS 62 HG1 LYS 62 9.600 -13.463 -6.062 451 HD2 LYS 62 HD2 LYS 62 11.099 -15.251 -6.573 452 HD3 LYS 62 HD1 LYS 62 11.625 -14.531 -5.051 453 HE2 LYS 62 HE2 LYS 62 11.688 -16.990 -4.994 454 HE3 LYS 62 HE1 LYS 62 10.576 -16.318 -3.799 455 HZ1 LYS 62 HZ1 LYS 62 8.738 -16.821 -5.281 456 HZ2 LYS 62 HZ2 LYS 62 9.625 -18.224 -4.954 457 HZ3 LYS 62 HZ3 LYS 62 9.802 -17.440 -6.442 458 H GLY 63 HN GLY 63 7.785 -11.012 -3.735 459 HA2 GLY 63 HA2 GLY 63 8.579 -9.740 -6.271 460 HA3 GLY 63 HA1 GLY 63 6.910 -10.085 -5.847 461 H ILE 64 HN ILE 64 9.718 -8.470 -4.403 462 HA ILE 64 HA ILE 64 7.869 -6.399 -3.471 463 HB ILE 64 HB ILE 64 10.450 -7.380 -2.311 464 HG12 ILE 64 HG12 ILE 64 8.839 -8.771 -1.509 465 HG13 ILE 64 HG11 ILE 64 8.724 -7.481 -0.319 466 HG21 ILE 64 HG21 ILE 64 10.577 -5.041 -1.998 467 HG22 ILE 64 HG22 ILE 64 10.005 -5.735 -0.479 468 HG23 ILE 64 HG23 ILE 64 8.868 -4.941 -1.571 469 HD11 ILE 64 HD11 ILE 64 6.908 -6.517 -1.860 470 HD12 ILE 64 HD12 ILE 64 6.526 -7.919 -0.862 471 HD13 ILE 64 HD13 ILE 64 6.882 -8.135 -2.584 472 H LEU 65 HN LEU 65 8.208 -4.373 -3.600 473 HA LEU 65 HA LEU 65 8.875 -3.084 -5.748 474 HB2 LEU 65 HB2 LEU 65 9.771 -1.267 -4.005 475 HB3 LEU 65 HB1 LEU 65 8.075 -1.613 -4.270 476 HG LEU 65 HG LEU 65 8.406 -3.329 -2.364 477 HD11 LEU 65 HD11 LEU 65 10.825 -3.214 -2.280 478 HD12 LEU 65 HD12 LEU 65 10.147 -2.631 -0.757 479 HD13 LEU 65 HD13 LEU 65 10.749 -1.482 -1.956 480 HD21 LEU 65 HD21 LEU 65 8.647 -0.533 -1.392 481 HD22 LEU 65 HD22 LEU 65 7.515 -1.801 -0.912 482 HD23 LEU 65 HD23 LEU 65 7.286 -0.942 -2.439 483 H GLU 66 HN GLU 66 10.511 -2.190 -6.829 484 HA GLU 66 HA GLU 66 13.219 -2.181 -5.798 485 HB2 GLU 66 HB2 GLU 66 12.434 -3.886 -8.170 486 HB3 GLU 66 HB1 GLU 66 14.091 -3.401 -7.832 487 HG2 GLU 66 HG2 GLU 66 13.643 -4.463 -5.500 488 HG3 GLU 66 HG1 GLU 66 12.326 -5.283 -6.339 489 H GLY 67 HN GLY 67 13.751 -0.142 -6.217 490 HA2 GLY 67 HA2 GLY 67 14.202 1.756 -7.480 491 HA3 GLY 67 HA1 GLY 67 13.610 0.898 -8.905 492 H LYS 68 HN LYS 68 11.410 0.385 -6.630 493 HA LYS 68 HA LYS 68 9.833 2.828 -7.006 494 HB2 LYS 68 HB2 LYS 68 8.090 1.770 -8.054 495 HB3 LYS 68 HB1 LYS 68 9.354 0.659 -8.578 496 HG2 LYS 68 HG2 LYS 68 8.852 -0.807 -6.687 497 HG3 LYS 68 HG1 LYS 68 7.572 0.290 -6.176 498 HD2 LYS 68 HD2 LYS 68 6.337 -0.146 -8.203 499 HD3 LYS 68 HD1 LYS 68 7.658 -1.140 -8.829 500 HE2 LYS 68 HE2 LYS 68 7.371 -2.632 -6.850 501 HE3 LYS 68 HE1 LYS 68 5.932 -1.698 -6.416 502 HZ1 LYS 68 HZ1 LYS 68 5.325 -3.674 -7.641 503 HZ2 LYS 68 HZ2 LYS 68 6.326 -3.237 -8.932 504 HZ3 LYS 68 HZ3 LYS 68 4.964 -2.304 -8.565 505 H PHE 69 HN PHE 69 8.738 3.355 -5.103 506 HA PHE 69 HA PHE 69 8.630 1.223 -3.070 507 HB2 PHE 69 HB2 PHE 69 8.553 4.014 -2.094 508 HB3 PHE 69 HB1 PHE 69 9.347 2.599 -1.413 509 HD1 PHE 69 HD2 PHE 69 11.149 1.786 -3.598 510 HD2 PHE 69 HD1 PHE 69 10.149 5.650 -2.147 511 HE1 PHE 69 HE2 PHE 69 13.307 2.643 -4.410 512 HE2 PHE 69 HE1 PHE 69 12.304 6.519 -2.953 513 HZ PHE 69 HZ PHE 69 13.884 5.013 -4.089 514 H THR 70 HN THR 70 6.594 0.595 -2.618 515 HA THR 70 HA THR 70 4.463 2.601 -2.612 516 HB THR 70 HB THR 70 3.975 0.066 -4.152 517 HG1 THR 70 HG1 THR 70 5.406 2.336 -4.954 518 HG21 THR 70 HG21 THR 70 2.678 2.803 -3.978 519 HG22 THR 70 HG22 THR 70 1.954 1.228 -3.642 520 HG23 THR 70 HG23 THR 70 2.330 1.693 -5.300 521 H LEU 71 HN LEU 71 2.797 2.187 -1.279 522 HA LEU 71 HA LEU 71 2.669 -0.453 0.013 523 HB2 LEU 71 HB2 LEU 71 2.232 2.257 1.252 524 HB3 LEU 71 HB1 LEU 71 1.817 0.748 2.027 525 HG LEU 71 HG LEU 71 4.474 1.972 1.573 526 HD11 LEU 71 HD11 LEU 71 4.796 1.024 3.872 527 HD12 LEU 71 HD12 LEU 71 3.098 0.553 3.830 528 HD13 LEU 71 HD13 LEU 71 3.545 2.256 3.723 529 HD21 LEU 71 HD21 LEU 71 3.921 -0.963 1.536 530 HD22 LEU 71 HD22 LEU 71 5.415 -0.344 2.237 531 HD23 LEU 71 HD23 LEU 71 5.036 -0.023 0.546 532 H LYS 72 HN LYS 72 0.594 -1.279 0.378 533 HA LYS 72 HA LYS 72 -1.571 0.316 -0.822 534 HB2 LYS 72 HB2 LYS 72 -1.266 -1.611 -2.194 535 HB3 LYS 72 HB1 LYS 72 -1.178 -2.675 -0.793 536 HG2 LYS 72 HG2 LYS 72 -3.403 -2.857 -0.639 537 HG3 LYS 72 HG1 LYS 72 -3.663 -1.141 -0.955 538 HD2 LYS 72 HD2 LYS 72 -2.941 -3.120 -3.100 539 HD3 LYS 72 HD1 LYS 72 -4.604 -2.732 -2.673 540 HE2 LYS 72 HE2 LYS 72 -4.186 -0.383 -3.207 541 HE3 LYS 72 HE1 LYS 72 -2.519 -0.774 -3.626 542 HZ1 LYS 72 HZ1 LYS 72 -4.931 -1.834 -4.996 543 HZ2 LYS 72 HZ2 LYS 72 -3.328 -2.184 -5.407 544 HZ3 LYS 72 HZ3 LYS 72 -3.922 -0.611 -5.588 545 H ALA 73 HN ALA 73 -3.137 0.901 0.358 546 HA ALA 73 HA ALA 73 -3.399 -0.132 3.075 547 HB1 ALA 73 HB1 ALA 73 -3.177 2.343 2.450 548 HB2 ALA 73 HB2 ALA 73 -4.469 1.906 3.580 549 HB3 ALA 73 HB3 ALA 73 -4.842 2.219 1.882 550 H VAL 74 HN VAL 74 -5.400 -0.757 3.899 551 HA VAL 74 HA VAL 74 -7.484 -1.373 1.917 552 HB VAL 74 HB VAL 74 -6.214 -3.196 3.933 553 HG11 VAL 74 HG11 VAL 74 -8.085 -4.805 3.423 554 HG12 VAL 74 HG12 VAL 74 -8.968 -3.449 2.724 555 HG13 VAL 74 HG13 VAL 74 -8.539 -3.435 4.435 556 HG21 VAL 74 HG21 VAL 74 -5.536 -2.981 1.475 557 HG22 VAL 74 HG22 VAL 74 -7.059 -3.809 1.120 558 HG23 VAL 74 HG23 VAL 74 -5.830 -4.600 2.113 559 H ALA 75 HN ALA 75 -9.579 -1.114 2.622 560 HA ALA 75 HA ALA 75 -10.067 0.646 4.717 561 HB1 ALA 75 HB1 ALA 75 -11.692 0.530 3.047 562 HB2 ALA 75 HB2 ALA 75 -12.474 -0.152 4.474 563 HB3 ALA 75 HB3 ALA 75 -11.864 -1.222 3.206 564 H LEU 76 HN LEU 76 -10.726 0.441 6.786 565 HA LEU 76 HA LEU 76 -10.056 -1.978 8.158 566 HB2 LEU 76 HB2 LEU 76 -11.370 0.549 9.177 567 HB3 LEU 76 HB1 LEU 76 -10.667 -0.720 10.173 568 HG LEU 76 HG LEU 76 -9.081 0.844 8.154 569 HD11 LEU 76 HD11 LEU 76 -9.402 1.400 11.097 570 HD12 LEU 76 HD12 LEU 76 -9.892 2.442 9.760 571 HD13 LEU 76 HD13 LEU 76 -8.179 2.129 10.051 572 HD21 LEU 76 HD21 LEU 76 -8.217 -1.366 8.879 573 HD22 LEU 76 HD22 LEU 76 -8.189 -0.768 10.538 574 HD23 LEU 76 HD23 LEU 76 -7.163 -0.019 9.315 575 H ASP 77 HN ASP 77 -12.851 -0.232 7.139 576 HA ASP 77 HA ASP 77 -14.665 -2.338 8.089 577 HB2 ASP 77 HB2 ASP 77 -15.549 0.137 6.616 578 HB3 ASP 77 HB1 ASP 77 -16.461 -0.857 7.743 579 H ARG 78 HN ARG 78 -12.681 -2.594 5.922 580 HA ARG 78 HA ARG 78 -13.626 -2.395 3.373 581 HB2 ARG 78 HB2 ARG 78 -11.918 -3.768 2.733 582 HB3 ARG 78 HB1 ARG 78 -11.357 -3.200 4.287 583 HG2 ARG 78 HG2 ARG 78 -11.183 -5.276 5.033 584 HG3 ARG 78 HG1 ARG 78 -12.871 -5.608 4.625 585 HD2 ARG 78 HD2 ARG 78 -12.111 -5.848 2.238 586 HD3 ARG 78 HD1 ARG 78 -10.457 -5.837 2.852 587 HE ARG 78 HE ARG 78 -11.891 -7.777 4.265 588 HH11 ARG 78 HH11 ARG 78 -10.760 -7.187 1.021 589 HH12 ARG 78 HH12 ARG 78 -10.618 -8.868 0.629 590 HH21 ARG 78 HH21 ARG 78 -11.707 -9.990 3.755 591 HH22 ARG 78 HH22 ARG 78 -11.155 -10.460 2.182 592 H GLU 79 HN GLU 79 -14.640 -4.739 5.768 593 HA GLU 79 HA GLU 79 -15.758 -6.695 4.142 594 HB2 GLU 79 HB2 GLU 79 -17.139 -5.598 6.591 595 HB3 GLU 79 HB1 GLU 79 -17.201 -7.240 5.964 596 HG2 GLU 79 HG2 GLU 79 -14.828 -7.524 6.524 597 HG3 GLU 79 HG1 GLU 79 -14.812 -5.895 7.198 598 H ALA 80 HN ALA 80 -16.636 -3.483 4.797 599 HA ALA 80 HA ALA 80 -19.084 -3.613 3.213 600 HB1 ALA 80 HB1 ALA 80 -18.034 -1.670 5.257 601 HB2 ALA 80 HB2 ALA 80 -19.514 -2.636 5.317 602 HB3 ALA 80 HB3 ALA 80 -19.395 -1.277 4.198 603 H GLU 81 HN GLU 81 -15.849 -2.371 3.324 604 HA GLU 81 HA GLU 81 -16.283 -0.890 0.799 605 HB2 GLU 81 HB2 GLU 81 -14.158 -0.245 2.830 606 HB3 GLU 81 HB1 GLU 81 -14.710 0.729 1.477 607 HG2 GLU 81 HG2 GLU 81 -16.467 0.036 3.803 608 HG3 GLU 81 HG1 GLU 81 -15.445 1.471 3.762 609 HA PRO 82 HA PRO 82 -13.274 -4.381 -0.040 610 HB2 PRO 82 HB2 PRO 82 -13.945 -4.391 -2.735 611 HB3 PRO 82 HB1 PRO 82 -14.648 -5.455 -1.514 612 HG2 PRO 82 HG2 PRO 82 -15.720 -2.923 -2.681 613 HG3 PRO 82 HG1 PRO 82 -16.584 -4.401 -2.217 614 HD2 PRO 82 HD2 PRO 82 -16.637 -2.184 -0.702 615 HD3 PRO 82 HD1 PRO 82 -16.642 -3.805 0.020 616 H ARG 83 HN ARG 83 -13.786 -1.180 -1.091 617 HA ARG 83 HA ARG 83 -11.868 -0.825 -3.058 618 HB2 ARG 83 HB2 ARG 83 -13.050 0.997 -1.012 619 HB3 ARG 83 HB1 ARG 83 -11.723 1.564 -2.015 620 HG2 ARG 83 HG2 ARG 83 -13.187 0.713 -3.977 621 HG3 ARG 83 HG1 ARG 83 -14.492 0.795 -2.794 622 HD2 ARG 83 HD2 ARG 83 -14.162 3.121 -2.459 623 HD3 ARG 83 HD1 ARG 83 -12.653 3.098 -3.370 624 HE ARG 83 HE ARG 83 -14.886 2.257 -4.941 625 HH11 ARG 83 HH11 ARG 83 -13.211 5.054 -3.706 626 HH12 ARG 83 HH12 ARG 83 -13.733 6.091 -4.991 627 HH21 ARG 83 HH21 ARG 83 -15.572 3.613 -6.635 628 HH22 ARG 83 HH22 ARG 83 -15.075 5.273 -6.657 629 H VAL 84 HN VAL 84 -9.780 -0.329 -3.120 630 HA VAL 84 HA VAL 84 -8.211 -0.380 -0.631 631 HB VAL 84 HB VAL 84 -6.738 -1.570 -2.811 632 HG11 VAL 84 HG11 VAL 84 -5.794 -2.459 -1.033 633 HG12 VAL 84 HG12 VAL 84 -7.244 -3.432 -0.768 634 HG13 VAL 84 HG13 VAL 84 -7.094 -1.845 -0.013 635 HG21 VAL 84 HG21 VAL 84 -9.128 -3.179 -1.967 636 HG22 VAL 84 HG22 VAL 84 -7.938 -3.570 -3.211 637 HG23 VAL 84 HG23 VAL 84 -9.088 -2.254 -3.470 638 H LEU 85 HN LEU 85 -6.042 0.653 -0.889 639 HA LEU 85 HA LEU 85 -5.826 2.322 -3.293 640 HB2 LEU 85 HB2 LEU 85 -6.940 3.598 -1.428 641 HB3 LEU 85 HB1 LEU 85 -5.443 3.460 -0.532 642 HG LEU 85 HG LEU 85 -4.362 4.595 -2.590 643 HD11 LEU 85 HD11 LEU 85 -7.284 5.162 -3.069 644 HD12 LEU 85 HD12 LEU 85 -6.085 4.504 -4.198 645 HD13 LEU 85 HD13 LEU 85 -5.986 6.193 -3.689 646 HD21 LEU 85 HD21 LEU 85 -4.381 5.744 -0.536 647 HD22 LEU 85 HD22 LEU 85 -6.128 5.980 -0.586 648 HD23 LEU 85 HD23 LEU 85 -5.086 6.860 -1.705 649 H ARG 86 HN ARG 86 -3.737 3.346 -3.528 650 HA ARG 86 HA ARG 86 -1.518 2.296 -1.975 651 HB2 ARG 86 HB2 ARG 86 -0.811 0.764 -3.453 652 HB3 ARG 86 HB1 ARG 86 -2.230 1.054 -4.423 653 HG2 ARG 86 HG2 ARG 86 -1.066 2.750 -5.686 654 HG3 ARG 86 HG1 ARG 86 0.354 2.559 -4.660 655 HD2 ARG 86 HD2 ARG 86 0.560 0.228 -5.390 656 HD3 ARG 86 HD1 ARG 86 -0.849 0.431 -6.428 657 HE ARG 86 HE ARG 86 1.047 2.384 -7.096 658 HH11 ARG 86 HH11 ARG 86 0.600 -1.067 -7.263 659 HH12 ARG 86 HH12 ARG 86 1.600 -1.260 -8.664 660 HH21 ARG 86 HH21 ARG 86 2.369 2.140 -8.942 661 HH22 ARG 86 HH22 ARG 86 2.605 0.563 -9.618 662 H LEU 87 HN LEU 87 0.344 3.575 -2.159 663 HA LEU 87 HA LEU 87 0.363 5.739 -4.085 664 HB2 LEU 87 HB2 LEU 87 -0.917 6.559 -2.058 665 HB3 LEU 87 HB1 LEU 87 0.560 6.353 -1.148 666 HG LEU 87 HG LEU 87 1.650 8.119 -2.201 667 HD11 LEU 87 HD11 LEU 87 0.288 9.261 -4.176 668 HD12 LEU 87 HD12 LEU 87 -0.285 7.605 -4.387 669 HD13 LEU 87 HD13 LEU 87 1.441 7.957 -4.460 670 HD21 LEU 87 HD21 LEU 87 -1.237 8.978 -2.082 671 HD22 LEU 87 HD22 LEU 87 0.191 9.995 -1.881 672 HD23 LEU 87 HD23 LEU 87 -0.197 8.768 -0.673 673 H ASN 88 HN ASN 88 2.347 5.929 -4.849 674 HA ASN 88 HA ASN 88 4.503 4.644 -3.343 675 HB2 ASN 88 HB2 ASN 88 5.741 4.968 -5.604 676 HB3 ASN 88 HB1 ASN 88 4.501 3.728 -5.470 677 HD21 ASN 88 HD21 ASN 88 5.225 6.926 -6.672 678 HD22 ASN 88 HD22 ASN 88 3.966 6.975 -7.854 679 H GLU 89 HN GLU 89 6.753 5.666 -3.925 680 HA GLU 89 HA GLU 89 6.966 8.066 -2.511 681 HB2 GLU 89 HB2 GLU 89 9.250 7.933 -2.895 682 HB3 GLU 89 HB1 GLU 89 8.731 6.264 -3.031 683 HG2 GLU 89 HG2 GLU 89 9.085 8.050 -5.418 684 HG3 GLU 89 HG1 GLU 89 10.382 7.062 -4.753 685 H SER 90 HN SER 90 6.290 7.479 -5.839 686 HA SER 90 HA SER 90 7.038 10.146 -6.708 687 HB2 SER 90 HB2 SER 90 5.565 7.988 -8.243 688 HB3 SER 90 HB1 SER 90 6.289 9.446 -8.919 689 HG SER 90 HG SER 90 8.056 7.980 -7.452 690 H LEU 91 HN LEU 91 4.816 9.158 -4.796 691 HA LEU 91 HA LEU 91 2.801 9.828 -4.106 692 HB2 LEU 91 HB2 LEU 91 3.736 12.169 -5.679 693 HB3 LEU 91 HB1 LEU 91 2.196 12.196 -4.836 694 HG LEU 91 HG LEU 91 4.632 12.917 -3.791 695 HD11 LEU 91 HD11 LEU 91 3.451 13.146 -1.697 696 HD12 LEU 91 HD12 LEU 91 2.198 12.042 -2.262 697 HD13 LEU 91 HD13 LEU 91 2.403 13.615 -3.036 698 HD21 LEU 91 HD21 LEU 91 5.289 10.533 -3.624 699 HD22 LEU 91 HD22 LEU 91 3.915 10.274 -2.547 700 HD23 LEU 91 HD23 LEU 91 5.221 11.355 -2.063 701 H THR 92 HN THR 92 2.939 8.232 -6.517 702 HA THR 92 HA THR 92 0.523 9.089 -7.953 703 HB THR 92 HB THR 92 2.499 6.887 -8.573 704 HG1 THR 92 HG1 THR 92 2.555 8.487 -10.534 705 HG21 THR 92 HG21 THR 92 1.286 6.608 -10.677 706 HG22 THR 92 HG22 THR 92 0.114 7.825 -10.172 707 HG23 THR 92 HG23 THR 92 0.228 6.295 -9.300 708 H ALA 93 HN ALA 93 -1.331 8.332 -7.119 709 HA ALA 93 HA ALA 93 -1.232 5.791 -5.641 710 HB1 ALA 93 HB1 ALA 93 -3.523 7.706 -5.509 711 HB2 ALA 93 HB2 ALA 93 -2.062 7.976 -4.555 712 HB3 ALA 93 HB3 ALA 93 -3.006 6.502 -4.329 713 H VAL 94 HN VAL 94 -2.860 4.308 -5.798 714 HA VAL 94 HA VAL 94 -4.755 4.559 -7.992 715 HB VAL 94 HB VAL 94 -2.796 3.369 -8.976 716 HG11 VAL 94 HG11 VAL 94 -3.422 0.968 -7.323 717 HG12 VAL 94 HG12 VAL 94 -2.375 2.211 -6.644 718 HG13 VAL 94 HG13 VAL 94 -1.928 1.408 -8.149 719 HG21 VAL 94 HG21 VAL 94 -4.136 1.355 -9.757 720 HG22 VAL 94 HG22 VAL 94 -4.901 2.930 -9.977 721 HG23 VAL 94 HG23 VAL 94 -5.399 1.884 -8.642 722 H VAL 95 HN VAL 95 -6.617 3.841 -7.546 723 HA VAL 95 HA VAL 95 -7.020 2.408 -5.032 724 HB VAL 95 HB VAL 95 -8.116 4.510 -5.053 725 HG11 VAL 95 HG11 VAL 95 -7.959 4.836 -7.493 726 HG12 VAL 95 HG12 VAL 95 -9.565 5.239 -6.856 727 HG13 VAL 95 HG13 VAL 95 -9.314 3.715 -7.709 728 HG21 VAL 95 HG21 VAL 95 -9.445 2.606 -4.190 729 HG22 VAL 95 HG22 VAL 95 -10.199 2.454 -5.779 730 HG23 VAL 95 HG23 VAL 95 -10.445 3.914 -4.825 731 H CYS 96 HN CYS 96 -8.385 0.672 -4.910 732 HA CYS 96 HA CYS 96 -9.243 -0.532 -7.444 733 HB2 CYS 96 HB2 CYS 96 -7.985 -1.787 -5.015 734 HB3 CYS 96 HB1 CYS 96 -9.014 -2.731 -6.084 735 H GLY 97 HN GLY 97 -11.139 -1.823 -7.333 736 HA2 GLY 97 HA2 GLY 97 -12.959 -0.871 -5.231 737 HA3 GLY 97 HA1 GLY 97 -13.452 -1.331 -6.857 738 H LYS 98 HN LYS 98 -11.128 -3.399 -6.000 739 HA LYS 98 HA LYS 98 -12.700 -5.234 -4.416 740 HB2 LYS 98 HB2 LYS 98 -13.122 -5.405 -7.056 741 HB3 LYS 98 HB1 LYS 98 -11.665 -6.362 -6.960 742 HG2 LYS 98 HG2 LYS 98 -14.278 -6.861 -5.567 743 HG3 LYS 98 HG1 LYS 98 -13.530 -7.828 -6.842 744 HD2 LYS 98 HD2 LYS 98 -12.753 -9.098 -5.157 745 HD3 LYS 98 HD1 LYS 98 -11.588 -7.797 -4.899 746 HE2 LYS 98 HE2 LYS 98 -12.610 -8.306 -2.800 747 HE3 LYS 98 HE1 LYS 98 -13.214 -6.741 -3.343 748 HZ1 LYS 98 HZ1 LYS 98 -14.968 -8.184 -2.450 749 HZ2 LYS 98 HZ2 LYS 98 -14.659 -9.314 -3.670 750 HZ3 LYS 98 HZ3 LYS 98 -15.242 -7.777 -4.070 751 H MET 99 HN MET 99 -11.383 -6.277 -3.078 752 HA MET 99 HA MET 99 -8.559 -6.557 -3.848 753 HB2 MET 99 HB2 MET 99 -9.340 -4.956 -1.870 754 HB3 MET 99 HB1 MET 99 -9.332 -6.464 -0.976 755 HG2 MET 99 HG2 MET 99 -6.946 -6.453 -2.398 756 HG3 MET 99 HG1 MET 99 -7.132 -4.808 -1.781 757 HE1 MET 99 HE1 MET 99 -7.373 -8.587 0.760 758 HE2 MET 99 HE2 MET 99 -6.758 -8.588 -0.896 759 HE3 MET 99 HE3 MET 99 -8.433 -8.124 -0.580 760 H LYS 100 HN LYS 100 -8.281 -8.598 -4.382 761 HA LYS 100 HA LYS 100 -9.838 -10.681 -3.061 762 HB2 LYS 100 HB2 LYS 100 -7.920 -10.925 -5.382 763 HB3 LYS 100 HB1 LYS 100 -9.061 -12.144 -4.829 764 HG2 LYS 100 HG2 LYS 100 -10.923 -10.734 -5.458 765 HG3 LYS 100 HG1 LYS 100 -9.814 -9.444 -5.928 766 HD2 LYS 100 HD2 LYS 100 -8.864 -10.882 -7.658 767 HD3 LYS 100 HD1 LYS 100 -9.950 -12.187 -7.179 768 HE2 LYS 100 HE2 LYS 100 -11.877 -10.798 -7.771 769 HE3 LYS 100 HE1 LYS 100 -10.790 -9.495 -8.254 770 HZ1 LYS 100 HZ1 LYS 100 -10.866 -12.195 -9.492 771 HZ2 LYS 100 HZ2 LYS 100 -9.900 -10.896 -9.985 772 HZ3 LYS 100 HZ3 LYS 100 -11.581 -10.807 -10.146 773 H GLY 101 HN GLY 101 -6.430 -10.535 -4.109 774 HA2 GLY 101 HA2 GLY 101 -5.672 -12.467 -2.116 775 HA3 GLY 101 HA1 GLY 101 -4.598 -11.654 -3.242 776 H LYS 102 HN LYS 102 -3.197 -10.316 -2.398 777 HA LYS 102 HA LYS 102 -1.983 -9.402 -0.645 778 HB2 LYS 102 HB2 LYS 102 -3.490 -7.192 -0.057 779 HB3 LYS 102 HB1 LYS 102 -2.415 -7.359 -1.437 780 HG2 LYS 102 HG2 LYS 102 -5.124 -8.382 -1.816 781 HG3 LYS 102 HG1 LYS 102 -4.984 -6.640 -1.599 782 HD2 LYS 102 HD2 LYS 102 -4.343 -6.441 -3.715 783 HD3 LYS 102 HD1 LYS 102 -2.931 -7.443 -3.373 784 HE2 LYS 102 HE2 LYS 102 -4.175 -8.395 -5.199 785 HE3 LYS 102 HE1 LYS 102 -4.303 -9.446 -3.790 786 HZ1 LYS 102 HZ1 LYS 102 -6.442 -9.230 -4.816 787 HZ2 LYS 102 HZ2 LYS 102 -6.359 -7.542 -4.770 788 HZ3 LYS 102 HZ3 LYS 102 -6.482 -8.421 -3.330 789 H GLY 103 HN GLY 103 -3.489 -7.577 1.294 790 HA2 GLY 103 HA2 GLY 103 -4.624 -9.605 3.090 791 HA3 GLY 103 HA1 GLY 103 -3.308 -8.584 3.663 792 H SER 104 HN SER 104 -6.128 -8.795 4.576 793 HA SER 104 HA SER 104 -6.859 -5.983 4.149 794 HB2 SER 104 HB2 SER 104 -8.730 -8.315 4.443 795 HB3 SER 104 HB1 SER 104 -9.221 -6.632 4.331 796 HG SER 104 HG SER 104 -8.554 -6.565 2.249 797 H CYS 105 HN CYS 105 -7.828 -4.881 5.837 798 HA CYS 105 HA CYS 105 -6.852 -5.441 8.418 799 HB2 CYS 105 HB2 CYS 105 -9.250 -3.696 8.034 800 HB3 CYS 105 HB1 CYS 105 -7.850 -3.453 9.063 801 H THR 106 HN THR 106 -8.660 -5.230 10.288 802 HA THR 106 HA THR 106 -9.971 -6.607 11.568 803 HB THR 106 HB THR 106 -11.638 -5.118 10.761 804 HG1 THR 106 HG1 THR 106 -13.282 -6.388 11.246 805 HG21 THR 106 HG21 THR 106 -11.134 -5.191 8.377 806 HG22 THR 106 HG22 THR 106 -12.857 -5.459 8.657 807 HG23 THR 106 HG23 THR 106 -11.806 -6.821 8.271 808 H ASP 107 HN ASP 107 -8.221 -8.064 9.701 809 HA ASP 107 HA ASP 107 -9.500 -10.646 9.952 810 HB2 ASP 107 HB2 ASP 107 -8.775 -9.486 7.264 811 HB3 ASP 107 HB1 ASP 107 -8.938 -11.217 7.534 812 H GLY 108 HN GLY 108 -6.756 -9.193 8.184 813 HA2 GLY 108 HA2 GLY 108 -4.725 -9.971 9.887 814 HA3 GLY 108 HA1 GLY 108 -4.998 -11.343 8.825 815 H GLU 109 HN GLU 109 -4.301 -7.866 8.811 816 HA GLU 109 HA GLU 109 -3.451 -7.836 6.081 817 HB2 GLU 109 HB2 GLU 109 -2.679 -5.555 6.576 818 HB3 GLU 109 HB1 GLU 109 -4.324 -5.821 7.145 819 HG2 GLU 109 HG2 GLU 109 -3.496 -6.152 9.410 820 HG3 GLU 109 HG1 GLU 109 -1.845 -5.909 8.845 821 H GLU 110 HN GLU 110 -1.338 -7.660 5.266 822 HA GLU 110 HA GLU 110 0.919 -7.835 7.027 823 HB2 GLU 110 HB2 GLU 110 1.758 -9.967 6.072 824 HB3 GLU 110 HB1 GLU 110 0.317 -10.148 7.062 825 HG2 GLU 110 HG2 GLU 110 -1.039 -10.160 5.026 826 HG3 GLU 110 HG1 GLU 110 0.439 -10.092 4.077 827 H ILE 111 HN ILE 111 -0.094 -8.432 3.669 828 HA ILE 111 HA ILE 111 1.658 -6.343 2.738 829 HB ILE 111 HB ILE 111 2.808 -7.808 1.078 830 HG12 ILE 111 HG12 ILE 111 3.062 -10.235 1.959 831 HG13 ILE 111 HG11 ILE 111 1.541 -9.924 2.788 832 HG21 ILE 111 HG21 ILE 111 3.564 -8.544 3.880 833 HG22 ILE 111 HG22 ILE 111 3.775 -6.907 3.250 834 HG23 ILE 111 HG23 ILE 111 4.615 -8.264 2.489 835 HD11 ILE 111 HD11 ILE 111 0.991 -10.991 0.792 836 HD12 ILE 111 HD12 ILE 111 2.093 -9.991 -0.153 837 HD13 ILE 111 HD13 ILE 111 0.616 -9.291 0.525 838 H PHE 112 HN PHE 112 1.718 -6.444 0.206 839 HA PHE 112 HA PHE 112 -1.066 -6.731 -0.674 840 HB2 PHE 112 HB2 PHE 112 -0.490 -4.459 -0.765 841 HB3 PHE 112 HB1 PHE 112 1.120 -4.794 -1.381 842 HD1 PHE 112 HD2 PHE 112 -2.320 -5.696 -2.510 843 HD2 PHE 112 HD1 PHE 112 1.405 -3.885 -3.458 844 HE1 PHE 112 HE2 PHE 112 -3.114 -5.267 -4.797 845 HE2 PHE 112 HE1 PHE 112 0.613 -3.453 -5.745 846 HZ PHE 112 HZ PHE 112 -1.644 -4.145 -6.420 847 H ARG 113 HN ARG 113 -0.467 -9.099 -1.119 848 HA ARG 113 HA ARG 113 0.695 -9.281 -3.819 849 HB2 ARG 113 HB2 ARG 113 1.810 -11.265 -3.316 850 HB3 ARG 113 HB1 ARG 113 2.053 -10.298 -1.879 851 HG2 ARG 113 HG2 ARG 113 0.175 -11.496 -0.804 852 HG3 ARG 113 HG1 ARG 113 0.085 -12.544 -2.225 853 HD2 ARG 113 HD2 ARG 113 2.515 -13.073 -1.818 854 HD3 ARG 113 HD1 ARG 113 2.346 -12.231 -0.280 855 HE ARG 113 HE ARG 113 0.323 -14.126 -0.393 856 HH11 ARG 113 HH11 ARG 113 3.806 -14.060 -0.332 857 HH12 ARG 113 HH12 ARG 113 3.950 -15.601 0.443 858 HH21 ARG 113 HH21 ARG 113 0.503 -16.156 0.628 859 HH22 ARG 113 HH22 ARG 113 2.072 -16.794 0.988 860 H GLY 114 HN GLY 114 -0.717 -9.971 -5.318 861 HA2 GLY 114 HA2 GLY 114 -2.231 -12.174 -5.416 862 HA3 GLY 114 HA1 GLY 114 -3.237 -11.126 -4.431 863 H ASN 115 HN ASN 115 -4.906 -10.646 -5.727 864 HA ASN 115 HA ASN 115 -4.318 -9.155 -8.163 865 HB2 ASN 115 HB2 ASN 115 -5.729 -11.764 -8.022 866 HB3 ASN 115 HB1 ASN 115 -6.372 -10.556 -9.129 867 HD21 ASN 115 HD21 ASN 115 -5.124 -13.114 -9.709 868 HD22 ASN 115 HD22 ASN 115 -3.758 -12.774 -10.711 869 H ASP 116 HN ASP 116 -5.319 -7.282 -7.971 870 HA ASP 116 HA ASP 116 -7.855 -7.148 -6.503 871 HB2 ASP 116 HB2 ASP 116 -7.205 -4.553 -7.108 872 HB3 ASP 116 HB1 ASP 116 -6.799 -5.358 -5.600 873 H ALA 117 HN ALA 117 -9.624 -5.925 -7.388 874 HA ALA 117 HA ALA 117 -9.596 -5.734 -10.331 875 HB1 ALA 117 HB1 ALA 117 -10.835 -7.746 -9.455 876 HB2 ALA 117 HB2 ALA 117 -11.784 -6.650 -10.461 877 HB3 ALA 117 HB3 ALA 117 -11.975 -6.620 -8.704 878 H GLU 118 HN GLU 118 -11.394 -4.399 -11.179 879 HA GLU 118 HA GLU 118 -12.366 -2.350 -11.362 880 HB2 GLU 118 HB2 GLU 118 -13.003 -3.032 -8.486 881 HB3 GLU 118 HB1 GLU 118 -13.750 -1.704 -9.373 882 HG2 GLU 118 HG2 GLU 118 -13.942 -4.636 -10.025 883 HG3 GLU 118 HG1 GLU 118 -15.209 -3.628 -9.330 884 H CYS 119 HN CYS 119 -9.814 -1.794 -11.314 885 HA CYS 119 HA CYS 119 -9.490 0.219 -9.176 886 HB2 CYS 119 HB2 CYS 119 -7.128 -0.941 -10.597 887 HB3 CYS 119 HB1 CYS 119 -7.215 -0.190 -9.015 888 H ARG 120 HN ARG 120 -8.673 2.165 -9.609 889 HA ARG 120 HA ARG 120 -7.985 2.923 -12.335 890 HB2 ARG 120 HB2 ARG 120 -9.533 4.649 -12.418 891 HB3 ARG 120 HB1 ARG 120 -10.450 3.342 -11.690 892 HG2 ARG 120 HG2 ARG 120 -10.971 4.730 -10.061 893 HG3 ARG 120 HG1 ARG 120 -9.285 4.653 -9.556 894 HD2 ARG 120 HD2 ARG 120 -9.688 6.939 -9.801 895 HD3 ARG 120 HD1 ARG 120 -8.866 6.470 -11.290 896 HE ARG 120 HE ARG 120 -11.732 6.381 -11.478 897 HH11 ARG 120 HH11 ARG 120 -8.905 8.397 -11.760 898 HH12 ARG 120 HH12 ARG 120 -9.663 9.535 -12.824 899 HH21 ARG 120 HH21 ARG 120 -12.739 7.871 -12.881 900 HH22 ARG 120 HH22 ARG 120 -11.844 9.234 -13.463 901 HA PRO 121 HA PRO 121 -4.865 5.310 -10.299 902 HB2 PRO 121 HB2 PRO 121 -4.614 7.497 -11.824 903 HB3 PRO 121 HB1 PRO 121 -4.143 5.893 -12.409 904 HG2 PRO 121 HG2 PRO 121 -6.704 7.374 -12.876 905 HG3 PRO 121 HG1 PRO 121 -5.656 6.574 -14.062 906 HD2 PRO 121 HD2 PRO 121 -7.850 5.362 -13.103 907 HD3 PRO 121 HD1 PRO 121 -6.363 4.452 -13.434 908 H PHE 122 HN PHE 122 -5.018 6.363 -8.440 909 HA PHE 122 HA PHE 122 -7.108 8.408 -8.138 910 HB2 PHE 122 HB2 PHE 122 -6.532 6.134 -6.606 911 HB3 PHE 122 HB1 PHE 122 -5.945 7.482 -5.654 912 HD1 PHE 122 HD2 PHE 122 -8.872 7.691 -7.916 913 HD2 PHE 122 HD1 PHE 122 -7.486 7.348 -3.912 914 HE1 PHE 122 HE2 PHE 122 -11.147 8.152 -7.094 915 HE2 PHE 122 HE1 PHE 122 -9.751 7.793 -3.079 916 HZ PHE 122 HZ PHE 122 -11.589 8.206 -4.670 917 H THR 123 HN THR 123 -6.646 10.385 -7.269 918 HA THR 123 HA THR 123 -3.823 10.940 -6.653 919 HB THR 123 HB THR 123 -4.057 13.155 -7.710 920 HG1 THR 123 HG1 THR 123 -6.093 12.869 -9.302 921 HG21 THR 123 HG21 THR 123 -3.170 11.172 -8.940 922 HG22 THR 123 HG22 THR 123 -3.852 12.428 -9.971 923 HG23 THR 123 HG23 THR 123 -4.774 10.961 -9.643 924 H GLY 124 HN GLY 124 -3.843 11.243 -4.526 925 HA2 GLY 124 HA2 GLY 124 -5.999 12.252 -3.022 926 HA3 GLY 124 HA1 GLY 124 -4.340 12.105 -2.467 Start of MODEL 7 1 H1 HIS 6 HT1 HIS 6 -19.415 5.140 -5.769 2 H2 HIS 6 HT2 HIS 6 -20.224 6.167 -4.695 3 H3 HIS 6 HT3 HIS 6 -20.855 5.893 -6.241 4 HA HIS 6 HA HIS 6 -22.079 4.665 -4.570 5 HB2 HIS 6 HB2 HIS 6 -20.414 2.910 -6.390 6 HB3 HIS 6 HB1 HIS 6 -21.946 2.458 -5.650 7 HD1 HIS 6 HD1 HIS 6 -24.064 3.207 -6.808 8 HD2 HIS 6 HD2 HIS 6 -20.637 4.887 -8.451 9 HE1 HIS 6 HE1 HIS 6 -24.818 4.340 -8.922 10 HE2 HIS 6 HE2 HIS 6 -22.727 5.348 -9.904 11 H ARG 7 HN ARG 7 -18.634 3.895 -4.669 12 HA ARG 7 HA ARG 7 -18.923 2.521 -2.089 13 HB2 ARG 7 HB2 ARG 7 -17.641 1.696 -4.455 14 HB3 ARG 7 HB1 ARG 7 -16.361 2.085 -3.316 15 HG2 ARG 7 HG2 ARG 7 -18.635 0.179 -2.808 16 HG3 ARG 7 HG1 ARG 7 -16.983 -0.273 -3.227 17 HD2 ARG 7 HD2 ARG 7 -16.905 -0.477 -0.945 18 HD3 ARG 7 HD1 ARG 7 -16.389 1.193 -1.130 19 HE ARG 7 HE ARG 7 -19.225 0.654 -0.665 20 HH11 ARG 7 HH11 ARG 7 -16.171 1.875 0.486 21 HH12 ARG 7 HH12 ARG 7 -16.868 2.710 1.833 22 HH21 ARG 7 HH21 ARG 7 -20.150 1.753 1.102 23 HH22 ARG 7 HH22 ARG 7 -19.130 2.641 2.184 24 H SER 8 HN SER 8 -16.181 3.969 -3.740 25 HA SER 8 HA SER 8 -14.423 5.172 -2.879 26 HB2 SER 8 HB2 SER 8 -16.773 6.925 -2.116 27 HB3 SER 8 HB1 SER 8 -15.092 7.462 -2.224 28 HG SER 8 HG SER 8 -16.838 6.646 -4.288 29 H ALA 9 HN ALA 9 -13.964 3.543 -1.250 30 HA ALA 9 HA ALA 9 -14.926 3.662 1.382 31 HB1 ALA 9 HB1 ALA 9 -12.276 2.641 0.370 32 HB2 ALA 9 HB2 ALA 9 -13.773 1.714 0.482 33 HB3 ALA 9 HB3 ALA 9 -12.979 2.292 1.949 34 H ASN 10 HN ASN 10 -12.759 3.805 3.048 35 HA ASN 10 HA ASN 10 -12.422 6.650 3.276 36 HB2 ASN 10 HB2 ASN 10 -11.101 4.526 4.967 37 HB3 ASN 10 HB1 ASN 10 -11.444 6.197 5.406 38 HD21 ASN 10 HD21 ASN 10 -14.105 6.132 4.195 39 HD22 ASN 10 HD22 ASN 10 -15.094 5.216 5.275 40 H LEU 11 HN LEU 11 -11.210 5.612 0.915 41 HA LEU 11 HA LEU 11 -8.478 5.088 1.104 42 HB2 LEU 11 HB2 LEU 11 -9.714 6.750 -1.072 43 HB3 LEU 11 HB1 LEU 11 -8.311 5.720 -1.171 44 HG LEU 11 HG LEU 11 -10.919 4.478 -0.534 45 HD11 LEU 11 HD11 LEU 11 -10.058 5.320 -3.289 46 HD12 LEU 11 HD12 LEU 11 -11.409 6.001 -2.372 47 HD13 LEU 11 HD13 LEU 11 -11.461 4.317 -2.904 48 HD21 LEU 11 HD21 LEU 11 -10.002 2.590 -1.631 49 HD22 LEU 11 HD22 LEU 11 -8.717 3.247 -0.615 50 HD23 LEU 11 HD23 LEU 11 -8.714 3.555 -2.352 51 H ARG 12 HN ARG 12 -10.256 8.010 1.410 52 HA ARG 12 HA ARG 12 -8.267 9.884 0.821 53 HB2 ARG 12 HB2 ARG 12 -10.112 10.700 2.947 54 HB3 ARG 12 HB1 ARG 12 -9.826 11.420 1.371 55 HG2 ARG 12 HG2 ARG 12 -11.620 9.078 1.982 56 HG3 ARG 12 HG1 ARG 12 -12.121 10.709 1.540 57 HD2 ARG 12 HD2 ARG 12 -10.537 8.829 -0.217 58 HD3 ARG 12 HD1 ARG 12 -12.277 9.112 -0.344 59 HE ARG 12 HE ARG 12 -10.729 11.522 -0.525 60 HH11 ARG 12 HH11 ARG 12 -11.947 8.788 -2.311 61 HH12 ARG 12 HH12 ARG 12 -11.911 9.607 -3.837 62 HH21 ARG 12 HH21 ARG 12 -10.681 12.607 -2.530 63 HH22 ARG 12 HH22 ARG 12 -11.191 11.777 -3.963 64 H ALA 13 HN ALA 13 -8.913 8.025 3.681 65 HA ALA 13 HA ALA 13 -7.102 9.490 5.362 66 HB1 ALA 13 HB1 ALA 13 -8.938 8.185 6.322 67 HB2 ALA 13 HB2 ALA 13 -7.373 7.632 6.923 68 HB3 ALA 13 HB3 ALA 13 -8.217 6.708 5.679 69 H ALA 14 HN ALA 14 -7.030 6.645 3.371 70 HA ALA 14 HA ALA 14 -4.420 5.785 4.122 71 HB1 ALA 14 HB1 ALA 14 -6.310 4.398 3.136 72 HB2 ALA 14 HB2 ALA 14 -4.695 4.124 2.477 73 HB3 ALA 14 HB3 ALA 14 -5.861 5.095 1.572 74 H HIS 15 HN HIS 15 -5.764 7.762 1.585 75 HA HIS 15 HA HIS 15 -3.680 7.933 -0.170 76 HB2 HIS 15 HB2 HIS 15 -6.043 9.460 0.491 77 HB3 HIS 15 HB1 HIS 15 -4.720 10.542 0.090 78 HD1 HIS 15 HD1 HIS 15 -3.382 9.459 -2.219 79 HD2 HIS 15 HD2 HIS 15 -7.471 8.912 -1.722 80 HE1 HIS 15 HE1 HIS 15 -4.283 8.987 -4.508 81 HE2 HIS 15 HE2 HIS 15 -6.770 8.949 -4.211 82 H ALA 16 HN ALA 16 -4.126 9.358 2.976 83 HA ALA 16 HA ALA 16 -1.729 10.972 2.796 84 HB1 ALA 16 HB1 ALA 16 -3.586 10.475 5.122 85 HB2 ALA 16 HB2 ALA 16 -3.627 11.861 4.030 86 HB3 ALA 16 HB3 ALA 16 -2.247 11.622 5.105 87 H ALA 17 HN ALA 17 -2.712 7.854 3.994 88 HA ALA 17 HA ALA 17 -0.458 7.448 5.704 89 HB1 ALA 17 HB1 ALA 17 -1.138 5.072 5.654 90 HB2 ALA 17 HB2 ALA 17 -2.396 5.504 4.486 91 HB3 ALA 17 HB3 ALA 17 -2.436 6.177 6.116 92 H LEU 18 HN LEU 18 -1.332 5.936 2.570 93 HA LEU 18 HA LEU 18 1.174 4.794 2.068 94 HB2 LEU 18 HB2 LEU 18 -0.846 5.847 0.073 95 HB3 LEU 18 HB1 LEU 18 0.487 4.780 -0.320 96 HG LEU 18 HG LEU 18 -1.045 3.159 -0.160 97 HD11 LEU 18 HD11 LEU 18 0.258 2.747 1.853 98 HD12 LEU 18 HD12 LEU 18 -1.414 2.216 2.034 99 HD13 LEU 18 HD13 LEU 18 -0.879 3.720 2.787 100 HD21 LEU 18 HD21 LEU 18 -2.796 4.742 1.673 101 HD22 LEU 18 HD22 LEU 18 -3.242 3.478 0.525 102 HD23 LEU 18 HD23 LEU 18 -2.721 5.064 -0.063 103 H LEU 19 HN LEU 19 -0.011 8.009 1.819 104 HA LEU 19 HA LEU 19 2.170 9.073 0.277 105 HB2 LEU 19 HB2 LEU 19 0.188 10.347 0.213 106 HB3 LEU 19 HB1 LEU 19 -0.058 10.223 1.939 107 HG LEU 19 HG LEU 19 0.645 12.491 0.897 108 HD11 LEU 19 HD11 LEU 19 1.800 13.093 2.944 109 HD12 LEU 19 HD12 LEU 19 2.081 11.389 3.301 110 HD13 LEU 19 HD13 LEU 19 0.437 12.026 3.289 111 HD21 LEU 19 HD21 LEU 19 2.900 12.885 0.501 112 HD22 LEU 19 HD22 LEU 19 2.625 11.315 -0.259 113 HD23 LEU 19 HD23 LEU 19 3.397 11.407 1.322 114 H GLU 20 HN GLU 20 1.194 8.938 3.637 115 HA GLU 20 HA GLU 20 3.301 10.189 4.904 116 HB2 GLU 20 HB2 GLU 20 1.207 9.394 5.990 117 HB3 GLU 20 HB1 GLU 20 1.797 7.749 5.848 118 HG2 GLU 20 HG2 GLU 20 3.554 9.665 7.222 119 HG3 GLU 20 HG1 GLU 20 2.058 9.215 8.040 120 H ASN 21 HN ASN 21 2.999 7.025 3.526 121 HA ASN 21 HA ASN 21 5.529 6.054 4.491 122 HB2 ASN 21 HB2 ASN 21 4.274 4.199 4.062 123 HB3 ASN 21 HB1 ASN 21 3.289 5.011 2.856 124 HD21 ASN 21 HD21 ASN 21 6.057 3.080 3.445 125 HD22 ASN 21 HD22 ASN 21 6.472 2.779 1.799 126 H ALA 22 HN ALA 22 4.130 7.114 1.435 127 HA ALA 22 HA ALA 22 6.239 6.874 -0.279 128 HB1 ALA 22 HB1 ALA 22 3.961 7.655 -0.875 129 HB2 ALA 22 HB2 ALA 22 5.244 8.615 -1.612 130 HB3 ALA 22 HB3 ALA 22 4.371 9.238 -0.211 131 H ARG 23 HN ARG 23 5.804 9.444 2.111 132 HA ARG 23 HA ARG 23 8.075 10.928 1.135 133 HB2 ARG 23 HB2 ARG 23 7.789 12.256 3.220 134 HB3 ARG 23 HB1 ARG 23 6.327 12.164 2.243 135 HG2 ARG 23 HG2 ARG 23 5.384 10.524 3.744 136 HG3 ARG 23 HG1 ARG 23 6.883 10.472 4.673 137 HD2 ARG 23 HD2 ARG 23 5.186 11.849 5.774 138 HD3 ARG 23 HD1 ARG 23 6.594 12.800 5.307 139 HE ARG 23 HE ARG 23 4.694 12.945 3.254 140 HH11 ARG 23 HH11 ARG 23 5.152 14.004 6.543 141 HH12 ARG 23 HH12 ARG 23 4.151 15.406 6.366 142 HH21 ARG 23 HH21 ARG 23 3.375 14.789 3.014 143 HH22 ARG 23 HH22 ARG 23 3.142 15.852 4.362 144 H PHE 24 HN PHE 24 7.380 8.800 3.864 145 HA PHE 24 HA PHE 24 9.952 8.889 5.003 146 HB2 PHE 24 HB2 PHE 24 7.498 7.332 5.333 147 HB3 PHE 24 HB1 PHE 24 8.947 6.399 5.662 148 HD1 PHE 24 HD2 PHE 24 10.673 7.524 7.263 149 HD2 PHE 24 HD1 PHE 24 6.576 8.639 6.983 150 HE1 PHE 24 HE2 PHE 24 10.801 8.543 9.500 151 HE2 PHE 24 HE1 PHE 24 6.697 9.662 9.218 152 HZ PHE 24 HZ PHE 24 8.811 9.613 10.479 153 H MET 25 HN MET 25 8.645 7.313 2.246 154 HA MET 25 HA MET 25 10.808 5.396 2.014 155 HB2 MET 25 HB2 MET 25 8.447 6.089 0.252 156 HB3 MET 25 HB1 MET 25 9.657 4.885 -0.179 157 HG2 MET 25 HG2 MET 25 7.337 4.406 1.198 158 HG3 MET 25 HG1 MET 25 8.731 3.335 1.123 159 HE1 MET 25 HE1 MET 25 9.965 2.528 3.188 160 HE2 MET 25 HE2 MET 25 10.285 3.545 4.594 161 HE3 MET 25 HE3 MET 25 10.895 4.018 3.008 162 H GLU 26 HN GLU 26 9.618 8.333 0.496 163 HA GLU 26 HA GLU 26 11.610 8.698 -1.417 164 HB2 GLU 26 HB2 GLU 26 9.667 10.402 0.045 165 HB3 GLU 26 HB1 GLU 26 11.045 11.250 -0.620 166 HG2 GLU 26 HG2 GLU 26 10.496 10.220 -2.832 167 HG3 GLU 26 HG1 GLU 26 9.015 9.617 -2.095 168 H GLN 27 HN GLN 27 11.501 8.986 1.996 169 HA GLN 27 HA GLN 27 14.019 10.374 2.266 170 HB2 GLN 27 HB2 GLN 27 11.975 9.337 4.170 171 HB3 GLN 27 HB1 GLN 27 13.549 9.843 4.748 172 HG2 GLN 27 HG2 GLN 27 11.624 11.537 3.197 173 HG3 GLN 27 HG1 GLN 27 11.872 11.605 4.937 174 HE21 GLN 27 HE21 GLN 27 13.788 12.483 5.748 175 HE22 GLN 27 HE22 GLN 27 14.819 13.473 4.779 176 H PHE 28 HN PHE 28 12.708 7.160 3.086 177 HA PHE 28 HA PHE 28 14.968 6.007 4.159 178 HB2 PHE 28 HB2 PHE 28 12.815 4.850 4.101 179 HB3 PHE 28 HB1 PHE 28 12.941 4.697 2.356 180 HD1 PHE 28 HD2 PHE 28 14.286 3.545 5.572 181 HD2 PHE 28 HD1 PHE 28 14.308 3.002 1.354 182 HE1 PHE 28 HE2 PHE 28 15.452 1.396 5.856 183 HE2 PHE 28 HE1 PHE 28 15.463 0.845 1.626 184 HZ PHE 28 HZ PHE 28 16.045 0.045 3.882 185 H TYR 29 HN TYR 29 14.101 6.552 0.817 186 HA TYR 29 HA TYR 29 16.367 5.209 -0.315 187 HB2 TYR 29 HB2 TYR 29 14.386 5.541 -1.678 188 HB3 TYR 29 HB1 TYR 29 14.427 7.276 -1.404 189 HD1 TYR 29 HD1 TYR 29 16.034 4.484 -3.181 190 HD2 TYR 29 HD2 TYR 29 15.851 8.705 -2.702 191 HE1 TYR 29 HE1 TYR 29 17.344 4.764 -5.237 192 HE2 TYR 29 HE2 TYR 29 17.166 9.002 -4.761 193 HH TYR 29 HH TYR 29 17.736 6.470 -6.956 194 H ALA 30 HN ALA 30 15.494 8.503 0.602 195 HA ALA 30 HA ALA 30 17.831 9.790 -0.337 196 HB1 ALA 30 HB1 ALA 30 15.796 10.502 1.772 197 HB2 ALA 30 HB2 ALA 30 15.941 11.139 0.133 198 HB3 ALA 30 HB3 ALA 30 17.145 11.560 1.351 199 H LYS 31 HN LYS 31 17.259 7.664 2.223 200 HA LYS 31 HA LYS 31 19.649 8.500 3.708 201 HB2 LYS 31 HB2 LYS 31 17.500 6.531 4.513 202 HB3 LYS 31 HB1 LYS 31 18.797 7.134 5.532 203 HG2 LYS 31 HG2 LYS 31 17.742 9.078 5.959 204 HG3 LYS 31 HG1 LYS 31 17.027 9.171 4.348 205 HD2 LYS 31 HD2 LYS 31 15.286 7.676 4.919 206 HD3 LYS 31 HD1 LYS 31 16.110 7.165 6.395 207 HE2 LYS 31 HE2 LYS 31 14.982 9.911 5.868 208 HE3 LYS 31 HE1 LYS 31 14.234 8.668 6.868 209 HZ1 LYS 31 HZ1 LYS 31 16.158 8.750 8.335 210 HZ2 LYS 31 HZ2 LYS 31 15.420 10.268 8.219 211 HZ3 LYS 31 HZ3 LYS 31 16.857 9.962 7.382 212 H LYS 32 HN LYS 32 18.234 5.957 1.819 213 HA LYS 32 HA LYS 32 20.639 4.303 2.180 214 HB2 LYS 32 HB2 LYS 32 17.753 3.629 1.920 215 HB3 LYS 32 HB1 LYS 32 18.920 2.521 1.229 216 HG2 LYS 32 HG2 LYS 32 19.280 3.452 4.031 217 HG3 LYS 32 HG1 LYS 32 18.077 2.214 3.674 218 HD2 LYS 32 HD2 LYS 32 19.779 0.812 2.665 219 HD3 LYS 32 HD1 LYS 32 20.995 2.063 2.929 220 HE2 LYS 32 HE2 LYS 32 20.646 1.868 5.352 221 HE3 LYS 32 HE1 LYS 32 19.459 0.594 5.070 222 HZ1 LYS 32 HZ1 LYS 32 22.337 0.477 4.343 223 HZ2 LYS 32 HZ2 LYS 32 21.202 -0.742 4.049 224 HZ3 LYS 32 HZ3 LYS 32 21.608 -0.331 5.639 225 H GLY 33 HN GLY 33 18.073 3.998 -0.214 226 HA2 GLY 33 HA2 GLY 33 18.673 5.181 -2.441 227 HA3 GLY 33 HA1 GLY 33 20.108 4.172 -2.326 228 H SER 34 HN SER 34 17.969 2.269 -0.940 229 HA SER 34 HA SER 34 16.418 1.348 -3.168 230 HB2 SER 34 HB2 SER 34 18.755 -0.355 -2.266 231 HB3 SER 34 HB1 SER 34 17.498 -0.857 -3.394 232 HG SER 34 HG SER 34 19.728 0.323 -3.996 233 H PHE 35 HN PHE 35 14.958 -0.365 -2.589 234 HA PHE 35 HA PHE 35 14.583 -0.527 0.303 235 HB2 PHE 35 HB2 PHE 35 12.734 -0.890 -2.023 236 HB3 PHE 35 HB1 PHE 35 12.374 -1.717 -0.513 237 HD1 PHE 35 HD1 PHE 35 13.814 1.642 -1.205 238 HD2 PHE 35 HD2 PHE 35 10.647 -0.624 0.506 239 HE1 PHE 35 HE1 PHE 35 12.837 3.705 -0.289 240 HE2 PHE 35 HE2 PHE 35 9.667 1.436 1.421 241 HZ PHE 35 HZ PHE 35 10.771 3.597 1.020 242 H LYS 36 HN LYS 36 13.751 -2.989 -2.159 243 HA LYS 36 HA LYS 36 14.715 -5.010 -0.319 244 HB2 LYS 36 HB2 LYS 36 12.753 -5.607 -1.460 245 HB3 LYS 36 HB1 LYS 36 13.426 -5.211 -3.036 246 HG2 LYS 36 HG2 LYS 36 14.789 -7.138 -3.004 247 HG3 LYS 36 HG1 LYS 36 14.493 -7.406 -1.281 248 HD2 LYS 36 HD2 LYS 36 13.130 -8.973 -2.410 249 HD3 LYS 36 HD1 LYS 36 12.045 -7.683 -1.892 250 HE2 LYS 36 HE2 LYS 36 11.599 -8.413 -4.198 251 HE3 LYS 36 HE1 LYS 36 12.074 -6.717 -4.109 252 HZ1 LYS 36 HZ1 LYS 36 13.175 -7.861 -5.932 253 HZ2 LYS 36 HZ2 LYS 36 13.860 -8.970 -4.855 254 HZ3 LYS 36 HZ3 LYS 36 14.304 -7.340 -4.785 255 H LEU 37 HN LEU 37 16.332 -6.383 -0.618 256 HA LEU 37 HA LEU 37 18.541 -5.340 -2.233 257 HB2 LEU 37 HB2 LEU 37 19.729 -6.978 -0.507 258 HB3 LEU 37 HB1 LEU 37 19.301 -5.326 -0.095 259 HG LEU 37 HG LEU 37 17.221 -6.131 0.985 260 HD11 LEU 37 HD11 LEU 37 18.034 -8.625 -0.273 261 HD12 LEU 37 HD12 LEU 37 16.426 -7.979 0.124 262 HD13 LEU 37 HD13 LEU 37 17.423 -8.748 1.375 263 HD21 LEU 37 HD21 LEU 37 18.246 -7.158 2.916 264 HD22 LEU 37 HD22 LEU 37 19.314 -5.902 2.287 265 HD23 LEU 37 HD23 LEU 37 19.667 -7.600 1.968 266 H THR 38 HN THR 38 16.624 -8.213 -1.699 267 HA THR 38 HA THR 38 17.993 -9.548 -3.915 268 HB THR 38 HB THR 38 19.094 -10.245 -1.737 269 HG1 THR 38 HG1 THR 38 18.070 -12.618 -2.591 270 HG21 THR 38 HG21 THR 38 16.857 -10.272 -0.498 271 HG22 THR 38 HG22 THR 38 17.938 -11.636 -0.207 272 HG23 THR 38 HG23 THR 38 16.560 -11.819 -1.293 273 H SER 39 HN SER 39 16.872 -11.939 -3.970 274 HA SER 39 HA SER 39 14.076 -11.389 -4.450 275 HB2 SER 39 HB2 SER 39 15.599 -13.982 -4.801 276 HB3 SER 39 HB1 SER 39 14.008 -13.593 -5.456 277 HG SER 39 HG SER 39 16.035 -13.329 -6.821 278 H THR 40 HN THR 40 12.479 -11.877 -3.173 279 HA THR 40 HA THR 40 11.194 -12.780 -1.557 280 HB THR 40 HB THR 40 11.620 -14.860 -0.539 281 HG1 THR 40 HG1 THR 40 13.563 -15.476 0.013 282 HG21 THR 40 HG21 THR 40 12.364 -16.268 -2.472 283 HG22 THR 40 HG22 THR 40 12.735 -14.770 -3.327 284 HG23 THR 40 HG23 THR 40 11.075 -15.115 -2.829 285 H LYS 41 HN LYS 41 12.577 -10.495 -0.955 286 HA LYS 41 HA LYS 41 13.138 -10.894 1.910 287 HB2 LYS 41 HB2 LYS 41 15.117 -10.192 0.418 288 HB3 LYS 41 HB1 LYS 41 14.357 -8.610 0.357 289 HG2 LYS 41 HG2 LYS 41 14.740 -9.865 3.016 290 HG3 LYS 41 HG1 LYS 41 16.160 -9.260 2.179 291 HD2 LYS 41 HD2 LYS 41 13.863 -7.783 3.356 292 HD3 LYS 41 HD1 LYS 41 15.584 -7.399 3.373 293 HE2 LYS 41 HE2 LYS 41 15.361 -6.850 0.922 294 HE3 LYS 41 HE1 LYS 41 13.618 -6.972 1.138 295 HZ1 LYS 41 HZ1 LYS 41 14.303 -4.696 1.343 296 HZ2 LYS 41 HZ2 LYS 41 15.439 -5.087 2.532 297 HZ3 LYS 41 HZ3 LYS 41 13.788 -5.246 2.857 298 H TRP 42 HN TRP 42 12.438 -9.173 3.335 299 HA TRP 42 HA TRP 42 10.285 -7.564 2.130 300 HB2 TRP 42 HB2 TRP 42 10.218 -9.441 4.387 301 HB3 TRP 42 HB1 TRP 42 9.422 -7.901 4.674 302 HD1 TRP 42 HD1 TRP 42 8.661 -8.024 1.295 303 HE1 TRP 42 HE1 TRP 42 6.484 -9.274 0.764 304 HE3 TRP 42 HE3 TRP 42 8.126 -10.643 5.661 305 HZ2 TRP 42 HZ2 TRP 42 4.769 -11.098 2.006 306 HZ3 TRP 42 HZ3 TRP 42 6.175 -12.125 5.904 307 HH2 TRP 42 HH2 TRP 42 4.529 -12.352 4.113 308 HA PRO 43 HA PRO 43 12.742 -4.338 4.276 309 HB2 PRO 43 HB2 PRO 43 11.735 -2.321 2.719 310 HB3 PRO 43 HB1 PRO 43 13.141 -3.289 2.260 311 HG2 PRO 43 HG2 PRO 43 10.290 -3.553 1.389 312 HG3 PRO 43 HG1 PRO 43 11.774 -3.686 0.426 313 HD2 PRO 43 HD2 PRO 43 10.406 -5.860 1.267 314 HD3 PRO 43 HD1 PRO 43 12.182 -5.856 1.113 315 H GLU 44 HN GLU 44 11.942 -3.349 6.092 316 HA GLU 44 HA GLU 44 9.244 -3.570 6.802 317 HB2 GLU 44 HB2 GLU 44 11.161 -3.474 8.377 318 HB3 GLU 44 HB1 GLU 44 11.267 -1.757 8.039 319 HG2 GLU 44 HG2 GLU 44 8.802 -1.688 8.722 320 HG3 GLU 44 HG1 GLU 44 9.122 -3.254 9.461 321 H LEU 45 HN LEU 45 7.536 -2.328 6.528 322 HA LEU 45 HA LEU 45 7.844 0.209 5.135 323 HB2 LEU 45 HB2 LEU 45 5.477 0.133 4.705 324 HB3 LEU 45 HB1 LEU 45 6.233 -1.366 4.218 325 HG LEU 45 HG LEU 45 4.205 -2.026 5.132 326 HD11 LEU 45 HD11 LEU 45 6.112 -2.243 7.444 327 HD12 LEU 45 HD12 LEU 45 5.997 -3.351 6.075 328 HD13 LEU 45 HD13 LEU 45 4.645 -3.199 7.200 329 HD21 LEU 45 HD21 LEU 45 4.481 0.343 6.753 330 HD22 LEU 45 HD22 LEU 45 3.894 -1.035 7.684 331 HD23 LEU 45 HD23 LEU 45 3.031 -0.519 6.232 332 HA PRO 46 HA PRO 46 7.099 2.751 8.631 333 HB2 PRO 46 HB2 PRO 46 6.093 4.961 7.455 334 HB3 PRO 46 HB1 PRO 46 7.784 4.477 7.293 335 HG2 PRO 46 HG2 PRO 46 5.521 4.116 5.377 336 HG3 PRO 46 HG1 PRO 46 7.199 4.562 5.052 337 HD2 PRO 46 HD2 PRO 46 6.196 2.045 4.713 338 HD3 PRO 46 HD1 PRO 46 7.902 2.391 5.053 339 H VAL 47 HN VAL 47 4.361 3.797 6.619 340 HA VAL 47 HA VAL 47 2.650 3.868 8.905 341 HB VAL 47 HB VAL 47 2.447 5.438 6.935 342 HG11 VAL 47 HG11 VAL 47 1.107 3.060 5.681 343 HG12 VAL 47 HG12 VAL 47 2.618 3.806 5.149 344 HG13 VAL 47 HG13 VAL 47 1.102 4.702 5.041 345 HG21 VAL 47 HG21 VAL 47 0.076 5.671 7.149 346 HG22 VAL 47 HG22 VAL 47 0.727 5.165 8.706 347 HG23 VAL 47 HG23 VAL 47 -0.090 3.994 7.671 348 H LYS 48 HN LYS 48 1.146 2.508 9.580 349 HA LYS 48 HA LYS 48 0.632 0.079 8.005 350 HB2 LYS 48 HB2 LYS 48 0.590 0.142 11.011 351 HB3 LYS 48 HB1 LYS 48 0.679 -1.258 9.951 352 HG2 LYS 48 HG2 LYS 48 2.870 -1.266 10.245 353 HG3 LYS 48 HG1 LYS 48 2.951 0.266 9.373 354 HD2 LYS 48 HD2 LYS 48 2.558 -0.061 12.348 355 HD3 LYS 48 HD1 LYS 48 4.055 0.424 11.550 356 HE2 LYS 48 HE2 LYS 48 2.875 2.403 10.640 357 HE3 LYS 48 HE1 LYS 48 1.440 1.933 11.554 358 HZ1 LYS 48 HZ1 LYS 48 4.088 2.642 12.705 359 HZ2 LYS 48 HZ2 LYS 48 2.735 2.154 13.597 360 HZ3 LYS 48 HZ3 LYS 48 2.699 3.608 12.734 361 H GLU 49 HN GLU 49 -0.609 2.865 9.040 362 HA GLU 49 HA GLU 49 -3.313 2.052 8.677 363 HB2 GLU 49 HB2 GLU 49 -3.165 1.294 10.938 364 HB3 GLU 49 HB1 GLU 49 -2.415 2.797 11.453 365 HG2 GLU 49 HG2 GLU 49 -4.491 3.991 10.901 366 HG3 GLU 49 HG1 GLU 49 -5.236 2.451 10.468 367 H ALA 50 HN ALA 50 -4.585 3.703 8.150 368 HA ALA 50 HA ALA 50 -3.410 6.382 8.003 369 HB1 ALA 50 HB1 ALA 50 -4.128 5.769 5.884 370 HB2 ALA 50 HB2 ALA 50 -5.492 6.703 6.492 371 HB3 ALA 50 HB3 ALA 50 -5.559 4.943 6.498 372 H GLY 51 HN GLY 51 -6.727 5.264 8.188 373 HA2 GLY 51 HA2 GLY 51 -7.327 6.326 10.756 374 HA3 GLY 51 HA1 GLY 51 -7.863 7.420 9.482 375 H GLY 52 HN GLY 52 -8.339 5.345 7.584 376 HA2 GLY 52 HA2 GLY 52 -10.583 3.862 8.757 377 HA3 GLY 52 HA1 GLY 52 -10.782 4.762 7.263 378 H PHE 53 HN PHE 53 -7.753 3.904 7.046 379 HA PHE 53 HA PHE 53 -8.246 1.224 5.927 380 HB2 PHE 53 HB2 PHE 53 -6.831 3.582 4.747 381 HB3 PHE 53 HB1 PHE 53 -6.178 1.988 4.431 382 HD1 PHE 53 HD1 PHE 53 -9.689 3.264 4.581 383 HD2 PHE 53 HD2 PHE 53 -6.642 1.401 2.287 384 HE1 PHE 53 HE1 PHE 53 -11.275 2.959 2.737 385 HE2 PHE 53 HE2 PHE 53 -8.223 1.086 0.434 386 HZ PHE 53 HZ PHE 53 -10.546 1.868 0.657 387 H CYS 54 HN CYS 54 -6.260 -0.112 5.817 388 HA CYS 54 HA CYS 54 -4.285 0.640 7.850 389 HB2 CYS 54 HB2 CYS 54 -4.111 -1.677 8.567 390 HB3 CYS 54 HB1 CYS 54 -5.781 -1.150 8.706 391 H ILE 55 HN ILE 55 -2.180 0.233 7.361 392 HA ILE 55 HA ILE 55 -1.737 -0.514 4.561 393 HB ILE 55 HB ILE 55 -0.140 1.359 6.290 394 HG12 ILE 55 HG12 ILE 55 -1.055 3.000 4.502 395 HG13 ILE 55 HG11 ILE 55 -2.247 1.748 4.191 396 HG21 ILE 55 HG21 ILE 55 0.819 1.976 3.984 397 HG22 ILE 55 HG22 ILE 55 0.215 0.395 3.478 398 HG23 ILE 55 HG23 ILE 55 1.404 0.511 4.777 399 HD11 ILE 55 HD11 ILE 55 -2.921 3.604 5.749 400 HD12 ILE 55 HD12 ILE 55 -1.816 2.886 6.922 401 HD13 ILE 55 HD13 ILE 55 -3.189 1.955 6.312 402 H ARG 56 HN ARG 56 0.098 -1.563 3.948 403 HA ARG 56 HA ARG 56 1.852 -2.768 5.914 404 HB2 ARG 56 HB2 ARG 56 -0.280 -4.238 4.521 405 HB3 ARG 56 HB1 ARG 56 1.313 -4.965 4.359 406 HG2 ARG 56 HG2 ARG 56 -0.052 -4.284 6.954 407 HG3 ARG 56 HG1 ARG 56 0.087 -5.893 6.242 408 HD2 ARG 56 HD2 ARG 56 2.498 -5.811 6.441 409 HD3 ARG 56 HD1 ARG 56 2.424 -4.156 7.045 410 HE ARG 56 HE ARG 56 0.917 -5.997 8.642 411 HH11 ARG 56 HH11 ARG 56 4.096 -4.700 8.044 412 HH12 ARG 56 HH12 ARG 56 4.678 -5.048 9.637 413 HH21 ARG 56 HH21 ARG 56 1.677 -6.460 10.742 414 HH22 ARG 56 HH22 ARG 56 3.305 -6.050 11.170 415 H MET 57 HN MET 57 3.469 -4.255 4.600 416 HA MET 57 HA MET 57 4.577 -2.531 2.600 417 HB2 MET 57 HB2 MET 57 5.845 -3.918 4.366 418 HB3 MET 57 HB1 MET 57 5.623 -5.264 3.256 419 HG2 MET 57 HG2 MET 57 6.556 -3.217 1.653 420 HG3 MET 57 HG1 MET 57 7.483 -3.060 3.145 421 HE1 MET 57 HE1 MET 57 6.038 -6.502 1.779 422 HE2 MET 57 HE2 MET 57 7.274 -6.857 0.575 423 HE3 MET 57 HE3 MET 57 6.254 -5.433 0.393 424 H SER 58 HN SER 58 5.120 -3.193 0.425 425 HA SER 58 HA SER 58 3.105 -4.103 -1.125 426 HB2 SER 58 HB2 SER 58 5.038 -3.085 -2.125 427 HB3 SER 58 HB1 SER 58 6.074 -4.423 -1.599 428 HG SER 58 HG SER 58 4.491 -4.216 -3.803 429 H GLY 59 HN GLY 59 3.405 -6.188 -2.657 430 HA2 GLY 59 HA2 GLY 59 2.330 -8.325 -1.331 431 HA3 GLY 59 HA1 GLY 59 3.112 -8.443 -2.887 432 H GLN 60 HN GLN 60 3.996 -10.393 -2.698 433 HA GLN 60 HA GLN 60 5.240 -11.443 -0.400 434 HB2 GLN 60 HB2 GLN 60 6.251 -13.052 -2.200 435 HB3 GLN 60 HB1 GLN 60 4.546 -13.098 -1.794 436 HG2 GLN 60 HG2 GLN 60 4.071 -11.670 -3.734 437 HG3 GLN 60 HG1 GLN 60 5.781 -11.724 -4.157 438 HE21 GLN 60 HE21 GLN 60 6.665 -13.643 -4.944 439 HE22 GLN 60 HE22 GLN 60 5.680 -14.930 -5.541 440 H ALA 61 HN ALA 61 7.292 -11.634 0.231 441 HA ALA 61 HA ALA 61 9.158 -9.707 -0.116 442 HB1 ALA 61 HB1 ALA 61 9.172 -11.590 1.547 443 HB2 ALA 61 HB2 ALA 61 10.745 -11.159 0.877 444 HB3 ALA 61 HB3 ALA 61 9.900 -12.593 0.290 445 H LYS 62 HN LYS 62 8.538 -12.360 -2.304 446 HA LYS 62 HA LYS 62 10.995 -11.959 -3.763 447 HB2 LYS 62 HB2 LYS 62 10.266 -14.161 -3.743 448 HB3 LYS 62 HB1 LYS 62 8.615 -13.736 -4.074 449 HG2 LYS 62 HG2 LYS 62 8.971 -14.189 -6.213 450 HG3 LYS 62 HG1 LYS 62 10.131 -12.861 -6.278 451 HD2 LYS 62 HD2 LYS 62 11.190 -14.906 -7.027 452 HD3 LYS 62 HD1 LYS 62 11.892 -14.393 -5.489 453 HE2 LYS 62 HE2 LYS 62 11.483 -16.811 -5.547 454 HE3 LYS 62 HE1 LYS 62 10.530 -16.007 -4.295 455 HZ1 LYS 62 HZ1 LYS 62 8.623 -16.051 -5.800 456 HZ2 LYS 62 HZ2 LYS 62 9.195 -17.612 -5.487 457 HZ3 LYS 62 HZ3 LYS 62 9.541 -16.865 -6.966 458 H GLY 63 HN GLY 63 7.632 -11.060 -4.041 459 HA2 GLY 63 HA2 GLY 63 8.168 -9.594 -6.524 460 HA3 GLY 63 HA1 GLY 63 6.577 -9.983 -5.886 461 H ILE 64 HN ILE 64 9.460 -8.443 -4.528 462 HA ILE 64 HA ILE 64 7.712 -6.309 -3.553 463 HB ILE 64 HB ILE 64 10.338 -7.308 -2.479 464 HG12 ILE 64 HG12 ILE 64 8.738 -8.766 -1.732 465 HG13 ILE 64 HG11 ILE 64 8.680 -7.551 -0.460 466 HG21 ILE 64 HG21 ILE 64 9.747 -5.724 -0.563 467 HG22 ILE 64 HG22 ILE 64 8.722 -4.894 -1.740 468 HG23 ILE 64 HG23 ILE 64 10.459 -5.022 -2.018 469 HD11 ILE 64 HD11 ILE 64 6.823 -6.486 -1.914 470 HD12 ILE 64 HD12 ILE 64 6.458 -7.902 -0.928 471 HD13 ILE 64 HD13 ILE 64 6.739 -8.086 -2.668 472 H LEU 65 HN LEU 65 8.093 -4.311 -3.674 473 HA LEU 65 HA LEU 65 8.800 -3.045 -5.850 474 HB2 LEU 65 HB2 LEU 65 9.584 -1.182 -4.156 475 HB3 LEU 65 HB1 LEU 65 7.903 -1.631 -4.340 476 HG LEU 65 HG LEU 65 8.347 -3.257 -2.424 477 HD11 LEU 65 HD11 LEU 65 10.752 -1.462 -2.225 478 HD12 LEU 65 HD12 LEU 65 10.737 -3.220 -2.394 479 HD13 LEU 65 HD13 LEU 65 10.169 -2.472 -0.901 480 HD21 LEU 65 HD21 LEU 65 7.509 -1.729 -0.963 481 HD22 LEU 65 HD22 LEU 65 7.295 -0.811 -2.458 482 HD23 LEU 65 HD23 LEU 65 8.693 -0.499 -1.422 483 H GLU 66 HN GLU 66 10.512 -2.132 -6.855 484 HA GLU 66 HA GLU 66 13.160 -2.171 -5.697 485 HB2 GLU 66 HB2 GLU 66 12.426 -3.933 -8.031 486 HB3 GLU 66 HB1 GLU 66 14.074 -3.370 -7.778 487 HG2 GLU 66 HG2 GLU 66 13.783 -4.354 -5.397 488 HG3 GLU 66 HG1 GLU 66 12.442 -5.245 -6.123 489 H GLY 67 HN GLY 67 13.877 -0.201 -6.141 490 HA2 GLY 67 HA2 GLY 67 14.382 1.704 -7.365 491 HA3 GLY 67 HA1 GLY 67 13.796 0.873 -8.808 492 H LYS 68 HN LYS 68 11.564 0.445 -6.511 493 HA LYS 68 HA LYS 68 10.055 2.920 -6.928 494 HB2 LYS 68 HB2 LYS 68 8.293 1.925 -8.013 495 HB3 LYS 68 HB1 LYS 68 9.542 0.802 -8.543 496 HG2 LYS 68 HG2 LYS 68 8.974 -0.710 -6.718 497 HG3 LYS 68 HG1 LYS 68 7.729 0.410 -6.173 498 HD2 LYS 68 HD2 LYS 68 6.499 0.097 -8.232 499 HD3 LYS 68 HD1 LYS 68 7.781 -0.940 -8.867 500 HE2 LYS 68 HE2 LYS 68 7.396 -2.520 -7.028 501 HE3 LYS 68 HE1 LYS 68 6.090 -1.491 -6.427 502 HZ1 LYS 68 HZ1 LYS 68 6.128 -2.752 -9.119 503 HZ2 LYS 68 HZ2 LYS 68 4.850 -1.890 -8.423 504 HZ3 LYS 68 HZ3 LYS 68 5.311 -3.384 -7.778 505 H PHE 69 HN PHE 69 8.884 3.449 -5.062 506 HA PHE 69 HA PHE 69 8.747 1.331 -3.017 507 HB2 PHE 69 HB2 PHE 69 8.678 4.117 -2.035 508 HB3 PHE 69 HB1 PHE 69 9.489 2.699 -1.375 509 HD1 PHE 69 HD2 PHE 69 11.321 1.855 -3.406 510 HD2 PHE 69 HD1 PHE 69 10.198 5.801 -2.301 511 HE1 PHE 69 HE2 PHE 69 13.458 2.700 -4.277 512 HE2 PHE 69 HE1 PHE 69 12.333 6.657 -3.171 513 HZ PHE 69 HZ PHE 69 13.961 5.104 -4.164 514 H THR 70 HN THR 70 6.722 0.709 -2.560 515 HA THR 70 HA THR 70 4.581 2.701 -2.582 516 HB THR 70 HB THR 70 4.104 0.152 -4.095 517 HG1 THR 70 HG1 THR 70 5.226 0.877 -5.743 518 HG21 THR 70 HG21 THR 70 2.918 2.933 -4.430 519 HG22 THR 70 HG22 THR 70 2.221 1.690 -3.390 520 HG23 THR 70 HG23 THR 70 2.321 1.425 -5.128 521 H LEU 71 HN LEU 71 2.807 2.211 -1.349 522 HA LEU 71 HA LEU 71 2.755 -0.398 0.012 523 HB2 LEU 71 HB2 LEU 71 2.308 2.334 1.198 524 HB3 LEU 71 HB1 LEU 71 1.805 0.858 1.984 525 HG LEU 71 HG LEU 71 4.553 1.921 1.553 526 HD11 LEU 71 HD11 LEU 71 4.771 1.513 3.902 527 HD12 LEU 71 HD12 LEU 71 3.230 0.658 3.941 528 HD13 LEU 71 HD13 LEU 71 3.270 2.391 3.618 529 HD21 LEU 71 HD21 LEU 71 4.972 -0.223 0.758 530 HD22 LEU 71 HD22 LEU 71 3.769 -0.957 1.817 531 HD23 LEU 71 HD23 LEU 71 5.293 -0.374 2.485 532 H LYS 72 HN LYS 72 0.683 -1.227 0.460 533 HA LYS 72 HA LYS 72 -1.513 0.295 -0.786 534 HB2 LYS 72 HB2 LYS 72 -1.156 -1.701 -2.076 535 HB3 LYS 72 HB1 LYS 72 -1.133 -2.697 -0.625 536 HG2 LYS 72 HG2 LYS 72 -3.357 -2.851 -0.558 537 HG3 LYS 72 HG1 LYS 72 -3.575 -1.134 -0.904 538 HD2 LYS 72 HD2 LYS 72 -2.589 -2.598 -3.204 539 HD3 LYS 72 HD1 LYS 72 -4.119 -3.247 -2.613 540 HE2 LYS 72 HE2 LYS 72 -5.031 -0.926 -2.658 541 HE3 LYS 72 HE1 LYS 72 -3.529 -0.403 -3.418 542 HZ1 LYS 72 HZ1 LYS 72 -5.423 -2.405 -4.526 543 HZ2 LYS 72 HZ2 LYS 72 -3.981 -1.908 -5.256 544 HZ3 LYS 72 HZ3 LYS 72 -5.251 -0.809 -5.058 545 H ALA 73 HN ALA 73 -3.179 0.790 0.333 546 HA ALA 73 HA ALA 73 -3.370 -0.148 3.099 547 HB1 ALA 73 HB1 ALA 73 -3.161 2.319 2.438 548 HB2 ALA 73 HB2 ALA 73 -4.442 1.893 3.587 549 HB3 ALA 73 HB3 ALA 73 -4.831 2.182 1.889 550 H VAL 74 HN VAL 74 -5.383 -0.742 3.943 551 HA VAL 74 HA VAL 74 -7.473 -1.389 1.983 552 HB VAL 74 HB VAL 74 -6.167 -3.206 3.980 553 HG11 VAL 74 HG11 VAL 74 -8.026 -4.824 3.550 554 HG12 VAL 74 HG12 VAL 74 -8.929 -3.512 2.793 555 HG13 VAL 74 HG13 VAL 74 -8.506 -3.422 4.503 556 HG21 VAL 74 HG21 VAL 74 -5.832 -4.622 2.147 557 HG22 VAL 74 HG22 VAL 74 -5.512 -2.999 1.529 558 HG23 VAL 74 HG23 VAL 74 -7.050 -3.796 1.172 559 H ALA 75 HN ALA 75 -9.543 -1.077 2.688 560 HA ALA 75 HA ALA 75 -10.014 0.663 4.797 561 HB1 ALA 75 HB1 ALA 75 -12.428 -0.169 4.563 562 HB2 ALA 75 HB2 ALA 75 -11.804 -1.173 3.249 563 HB3 ALA 75 HB3 ALA 75 -11.661 0.589 3.168 564 H LEU 76 HN LEU 76 -10.579 0.461 6.875 565 HA LEU 76 HA LEU 76 -9.942 -1.947 8.250 566 HB2 LEU 76 HB2 LEU 76 -11.279 0.576 9.248 567 HB3 LEU 76 HB1 LEU 76 -10.555 -0.671 10.255 568 HG LEU 76 HG LEU 76 -8.990 0.876 8.207 569 HD11 LEU 76 HD11 LEU 76 -9.868 2.482 9.796 570 HD12 LEU 76 HD12 LEU 76 -8.134 2.254 10.032 571 HD13 LEU 76 HD13 LEU 76 -9.285 1.498 11.140 572 HD21 LEU 76 HD21 LEU 76 -8.134 -1.328 9.044 573 HD22 LEU 76 HD22 LEU 76 -8.049 -0.606 10.653 574 HD23 LEU 76 HD23 LEU 76 -7.068 0.049 9.342 575 H ASP 77 HN ASP 77 -12.769 -0.203 7.277 576 HA ASP 77 HA ASP 77 -14.552 -2.338 8.216 577 HB2 ASP 77 HB2 ASP 77 -15.463 0.170 6.811 578 HB3 ASP 77 HB1 ASP 77 -16.365 -0.858 7.916 579 H ARG 78 HN ARG 78 -12.604 -2.535 5.999 580 HA ARG 78 HA ARG 78 -13.595 -2.296 3.475 581 HB2 ARG 78 HB2 ARG 78 -11.976 -3.819 2.780 582 HB3 ARG 78 HB1 ARG 78 -11.308 -3.008 4.179 583 HG2 ARG 78 HG2 ARG 78 -11.012 -4.938 5.225 584 HG3 ARG 78 HG1 ARG 78 -12.702 -5.394 4.967 585 HD2 ARG 78 HD2 ARG 78 -12.066 -5.932 2.603 586 HD3 ARG 78 HD1 ARG 78 -10.383 -5.753 3.095 587 HE ARG 78 HE ARG 78 -11.522 -7.546 4.868 588 HH11 ARG 78 HH11 ARG 78 -10.956 -7.370 1.433 589 HH12 ARG 78 HH12 ARG 78 -10.818 -9.086 1.238 590 HH21 ARG 78 HH21 ARG 78 -11.341 -9.806 4.620 591 HH22 ARG 78 HH22 ARG 78 -11.038 -10.470 3.049 592 H GLU 79 HN GLU 79 -14.560 -4.687 5.839 593 HA GLU 79 HA GLU 79 -15.693 -6.617 4.192 594 HB2 GLU 79 HB2 GLU 79 -17.048 -5.569 6.678 595 HB3 GLU 79 HB1 GLU 79 -17.109 -7.201 6.024 596 HG2 GLU 79 HG2 GLU 79 -14.744 -7.502 6.564 597 HG3 GLU 79 HG1 GLU 79 -14.696 -5.871 7.231 598 H ALA 80 HN ALA 80 -16.563 -3.421 4.914 599 HA ALA 80 HA ALA 80 -19.033 -3.515 3.362 600 HB1 ALA 80 HB1 ALA 80 -19.352 -1.219 4.408 601 HB2 ALA 80 HB2 ALA 80 -17.952 -1.603 5.420 602 HB3 ALA 80 HB3 ALA 80 -19.411 -2.597 5.508 603 H GLU 81 HN GLU 81 -15.782 -2.352 3.398 604 HA GLU 81 HA GLU 81 -16.271 -0.797 0.932 605 HB2 GLU 81 HB2 GLU 81 -13.958 -0.086 2.652 606 HB3 GLU 81 HB1 GLU 81 -14.979 0.939 1.655 607 HG2 GLU 81 HG2 GLU 81 -16.774 0.722 3.342 608 HG3 GLU 81 HG1 GLU 81 -15.658 -0.192 4.356 609 HA PRO 82 HA PRO 82 -13.306 -4.272 -0.048 610 HB2 PRO 82 HB2 PRO 82 -14.052 -4.251 -2.719 611 HB3 PRO 82 HB1 PRO 82 -14.742 -5.311 -1.487 612 HG2 PRO 82 HG2 PRO 82 -15.796 -2.742 -2.595 613 HG3 PRO 82 HG1 PRO 82 -16.673 -4.217 -2.143 614 HD2 PRO 82 HD2 PRO 82 -16.666 -2.039 -0.579 615 HD3 PRO 82 HD1 PRO 82 -16.662 -3.674 0.109 616 H ARG 83 HN ARG 83 -13.793 -1.041 -1.085 617 HA ARG 83 HA ARG 83 -11.853 -0.804 -3.078 618 HB2 ARG 83 HB2 ARG 83 -13.122 1.134 -1.202 619 HB3 ARG 83 HB1 ARG 83 -11.733 1.648 -2.150 620 HG2 ARG 83 HG2 ARG 83 -13.057 0.703 -4.157 621 HG3 ARG 83 HG1 ARG 83 -14.448 0.816 -3.076 622 HD2 ARG 83 HD2 ARG 83 -14.092 3.174 -2.785 623 HD3 ARG 83 HD1 ARG 83 -12.591 3.104 -3.706 624 HE ARG 83 HE ARG 83 -14.882 2.199 -5.181 625 HH11 ARG 83 HH11 ARG 83 -13.032 4.993 -4.222 626 HH12 ARG 83 HH12 ARG 83 -13.537 5.950 -5.575 627 HH21 ARG 83 HH21 ARG 83 -15.551 3.453 -6.963 628 HH22 ARG 83 HH22 ARG 83 -14.972 5.077 -7.130 629 H VAL 84 HN VAL 84 -9.769 -0.516 -3.132 630 HA VAL 84 HA VAL 84 -8.239 -0.428 -0.608 631 HB VAL 84 HB VAL 84 -6.754 -1.635 -2.781 632 HG11 VAL 84 HG11 VAL 84 -7.062 -3.549 -0.865 633 HG12 VAL 84 HG12 VAL 84 -7.288 -2.051 0.042 634 HG13 VAL 84 HG13 VAL 84 -5.811 -2.304 -0.888 635 HG21 VAL 84 HG21 VAL 84 -7.953 -3.624 -3.181 636 HG22 VAL 84 HG22 VAL 84 -9.120 -2.318 -3.413 637 HG23 VAL 84 HG23 VAL 84 -9.125 -3.254 -1.916 638 H LEU 85 HN LEU 85 -6.106 0.666 -0.800 639 HA LEU 85 HA LEU 85 -5.863 2.288 -3.243 640 HB2 LEU 85 HB2 LEU 85 -6.934 3.599 -1.385 641 HB3 LEU 85 HB1 LEU 85 -5.433 3.437 -0.497 642 HG LEU 85 HG LEU 85 -4.324 4.544 -2.536 643 HD11 LEU 85 HD11 LEU 85 -5.916 6.135 -3.704 644 HD12 LEU 85 HD12 LEU 85 -7.227 5.101 -3.117 645 HD13 LEU 85 HD13 LEU 85 -5.987 4.440 -4.200 646 HD21 LEU 85 HD21 LEU 85 -4.399 5.735 -0.510 647 HD22 LEU 85 HD22 LEU 85 -6.142 5.980 -0.622 648 HD23 LEU 85 HD23 LEU 85 -5.059 6.827 -1.729 649 H ARG 86 HN ARG 86 -3.794 3.278 -3.529 650 HA ARG 86 HA ARG 86 -1.528 2.180 -2.078 651 HB2 ARG 86 HB2 ARG 86 -2.105 0.639 -4.015 652 HB3 ARG 86 HB1 ARG 86 -1.742 1.990 -5.063 653 HG2 ARG 86 HG2 ARG 86 0.472 2.022 -4.432 654 HG3 ARG 86 HG1 ARG 86 0.197 0.837 -3.145 655 HD2 ARG 86 HD2 ARG 86 -0.644 -0.705 -5.000 656 HD3 ARG 86 HD1 ARG 86 0.093 0.433 -6.122 657 HE ARG 86 HE ARG 86 2.083 -0.559 -5.670 658 HH11 ARG 86 HH11 ARG 86 0.033 -0.977 -2.884 659 HH12 ARG 86 HH12 ARG 86 1.207 -1.895 -2.002 660 HH21 ARG 86 HH21 ARG 86 3.629 -1.764 -4.516 661 HH22 ARG 86 HH22 ARG 86 3.250 -2.342 -2.928 662 H LEU 87 HN LEU 87 0.326 3.447 -2.374 663 HA LEU 87 HA LEU 87 0.306 5.671 -4.208 664 HB2 LEU 87 HB2 LEU 87 -0.968 6.465 -2.173 665 HB3 LEU 87 HB1 LEU 87 0.499 6.234 -1.270 666 HG LEU 87 HG LEU 87 1.593 8.038 -2.235 667 HD11 LEU 87 HD11 LEU 87 0.231 9.219 -4.197 668 HD12 LEU 87 HD12 LEU 87 -0.279 7.553 -4.470 669 HD13 LEU 87 HD13 LEU 87 1.434 7.964 -4.495 670 HD21 LEU 87 HD21 LEU 87 -1.316 8.820 -2.095 671 HD22 LEU 87 HD22 LEU 87 0.070 9.901 -1.952 672 HD23 LEU 87 HD23 LEU 87 -0.226 8.678 -0.715 673 H ASN 88 HN ASN 88 2.346 6.010 -4.928 674 HA ASN 88 HA ASN 88 4.486 4.657 -3.439 675 HB2 ASN 88 HB2 ASN 88 5.770 5.034 -5.657 676 HB3 ASN 88 HB1 ASN 88 4.517 3.800 -5.596 677 HD21 ASN 88 HD21 ASN 88 5.205 7.099 -6.579 678 HD22 ASN 88 HD22 ASN 88 4.016 7.169 -7.830 679 H GLU 89 HN GLU 89 6.755 5.740 -4.036 680 HA GLU 89 HA GLU 89 6.933 8.084 -2.510 681 HB2 GLU 89 HB2 GLU 89 9.209 7.996 -2.874 682 HB3 GLU 89 HB1 GLU 89 8.734 6.330 -3.157 683 HG2 GLU 89 HG2 GLU 89 9.067 8.328 -5.376 684 HG3 GLU 89 HG1 GLU 89 10.381 7.315 -4.782 685 H SER 90 HN SER 90 6.371 7.605 -5.895 686 HA SER 90 HA SER 90 7.001 10.322 -6.649 687 HB2 SER 90 HB2 SER 90 7.358 8.467 -8.254 688 HB3 SER 90 HB1 SER 90 5.626 8.140 -8.243 689 HG SER 90 HG SER 90 6.993 9.958 -9.670 690 H LEU 91 HN LEU 91 4.798 9.203 -4.782 691 HA LEU 91 HA LEU 91 2.775 9.824 -4.066 692 HB2 LEU 91 HB2 LEU 91 3.607 12.207 -5.637 693 HB3 LEU 91 HB1 LEU 91 2.077 12.168 -4.779 694 HG LEU 91 HG LEU 91 4.527 12.946 -3.766 695 HD11 LEU 91 HD11 LEU 91 2.277 13.644 -3.040 696 HD12 LEU 91 HD12 LEU 91 3.345 13.249 -1.694 697 HD13 LEU 91 HD13 LEU 91 2.106 12.100 -2.200 698 HD21 LEU 91 HD21 LEU 91 3.801 10.330 -2.470 699 HD22 LEU 91 HD22 LEU 91 5.113 11.415 -2.009 700 HD23 LEU 91 HD23 LEU 91 5.176 10.561 -3.553 701 H THR 92 HN THR 92 2.972 8.235 -6.483 702 HA THR 92 HA THR 92 0.513 9.024 -7.886 703 HB THR 92 HB THR 92 2.561 6.909 -8.571 704 HG1 THR 92 HG1 THR 92 3.026 8.353 -10.302 705 HG21 THR 92 HG21 THR 92 0.110 7.793 -10.097 706 HG22 THR 92 HG22 THR 92 0.327 6.234 -9.302 707 HG23 THR 92 HG23 THR 92 1.332 6.668 -10.686 708 H ALA 93 HN ALA 93 -1.247 8.242 -6.940 709 HA ALA 93 HA ALA 93 -1.164 5.676 -5.578 710 HB1 ALA 93 HB1 ALA 93 -3.558 6.539 -4.924 711 HB2 ALA 93 HB2 ALA 93 -2.876 8.097 -5.390 712 HB3 ALA 93 HB3 ALA 93 -2.115 7.150 -4.110 713 H VAL 94 HN VAL 94 -2.797 4.183 -5.777 714 HA VAL 94 HA VAL 94 -4.623 4.375 -8.031 715 HB VAL 94 HB VAL 94 -2.680 3.237 -9.010 716 HG11 VAL 94 HG11 VAL 94 -1.806 2.322 -6.863 717 HG12 VAL 94 HG12 VAL 94 -1.842 1.144 -8.175 718 HG13 VAL 94 HG13 VAL 94 -3.075 1.099 -6.915 719 HG21 VAL 94 HG21 VAL 94 -3.861 1.069 -9.634 720 HG22 VAL 94 HG22 VAL 94 -4.759 2.561 -9.924 721 HG23 VAL 94 HG23 VAL 94 -5.138 1.559 -8.517 722 H VAL 95 HN VAL 95 -6.492 3.726 -7.539 723 HA VAL 95 HA VAL 95 -6.920 2.281 -5.035 724 HB VAL 95 HB VAL 95 -8.005 4.386 -5.054 725 HG11 VAL 95 HG11 VAL 95 -7.800 4.707 -7.501 726 HG12 VAL 95 HG12 VAL 95 -9.394 5.161 -6.876 727 HG13 VAL 95 HG13 VAL 95 -9.188 3.631 -7.729 728 HG21 VAL 95 HG21 VAL 95 -9.375 2.431 -4.278 729 HG22 VAL 95 HG22 VAL 95 -10.142 2.420 -5.867 730 HG23 VAL 95 HG23 VAL 95 -10.318 3.822 -4.813 731 H CYS 96 HN CYS 96 -8.291 0.556 -4.911 732 HA CYS 96 HA CYS 96 -9.181 -0.646 -7.434 733 HB2 CYS 96 HB2 CYS 96 -7.963 -1.906 -4.986 734 HB3 CYS 96 HB1 CYS 96 -9.010 -2.834 -6.051 735 H GLY 97 HN GLY 97 -11.101 -1.920 -7.285 736 HA2 GLY 97 HA2 GLY 97 -12.896 -0.890 -5.197 737 HA3 GLY 97 HA1 GLY 97 -13.404 -1.361 -6.815 738 H LYS 98 HN LYS 98 -11.116 -3.457 -5.930 739 HA LYS 98 HA LYS 98 -12.721 -5.242 -4.328 740 HB2 LYS 98 HB2 LYS 98 -13.152 -5.396 -6.970 741 HB3 LYS 98 HB1 LYS 98 -11.736 -6.414 -6.866 742 HG2 LYS 98 HG2 LYS 98 -14.372 -6.781 -5.487 743 HG3 LYS 98 HG1 LYS 98 -13.656 -7.799 -6.739 744 HD2 LYS 98 HD2 LYS 98 -12.963 -9.074 -5.012 745 HD3 LYS 98 HD1 LYS 98 -11.729 -7.833 -4.790 746 HE2 LYS 98 HE2 LYS 98 -12.761 -8.210 -2.677 747 HE3 LYS 98 HE1 LYS 98 -13.308 -6.643 -3.275 748 HZ1 LYS 98 HZ1 LYS 98 -15.148 -7.872 -2.361 749 HZ2 LYS 98 HZ2 LYS 98 -14.836 -9.187 -3.379 750 HZ3 LYS 98 HZ3 LYS 98 -15.357 -7.716 -4.033 751 H MET 99 HN MET 99 -11.425 -6.324 -3.004 752 HA MET 99 HA MET 99 -8.619 -6.693 -3.800 753 HB2 MET 99 HB2 MET 99 -9.250 -4.994 -1.884 754 HB3 MET 99 HB1 MET 99 -9.368 -6.454 -0.920 755 HG2 MET 99 HG2 MET 99 -6.984 -6.679 -2.355 756 HG3 MET 99 HG1 MET 99 -7.039 -5.019 -1.758 757 HE1 MET 99 HE1 MET 99 -7.703 -8.610 -0.966 758 HE2 MET 99 HE2 MET 99 -8.830 -7.992 0.242 759 HE3 MET 99 HE3 MET 99 -7.353 -8.817 0.752 760 H LYS 100 HN LYS 100 -8.415 -8.747 -4.279 761 HA LYS 100 HA LYS 100 -10.035 -10.749 -2.940 762 HB2 LYS 100 HB2 LYS 100 -7.959 -11.168 -5.093 763 HB3 LYS 100 HB1 LYS 100 -9.229 -12.285 -4.606 764 HG2 LYS 100 HG2 LYS 100 -10.921 -10.719 -5.413 765 HG3 LYS 100 HG1 LYS 100 -9.648 -9.600 -5.905 766 HD2 LYS 100 HD2 LYS 100 -8.772 -11.290 -7.451 767 HD3 LYS 100 HD1 LYS 100 -10.054 -12.398 -6.962 768 HE2 LYS 100 HE2 LYS 100 -11.730 -10.811 -7.784 769 HE3 LYS 100 HE1 LYS 100 -10.444 -9.711 -8.280 770 HZ1 LYS 100 HZ1 LYS 100 -9.638 -11.426 -9.801 771 HZ2 LYS 100 HZ2 LYS 100 -11.236 -10.992 -10.151 772 HZ3 LYS 100 HZ3 LYS 100 -10.911 -12.445 -9.347 773 H GLY 101 HN GLY 101 -6.580 -10.833 -3.820 774 HA2 GLY 101 HA2 GLY 101 -6.026 -12.524 -1.539 775 HA3 GLY 101 HA1 GLY 101 -4.877 -12.012 -2.766 776 H LYS 102 HN LYS 102 -3.391 -10.596 -2.179 777 HA LYS 102 HA LYS 102 -2.114 -9.328 -0.745 778 HB2 LYS 102 HB2 LYS 102 -4.293 -7.464 -0.146 779 HB3 LYS 102 HB1 LYS 102 -2.769 -7.189 -0.971 780 HG2 LYS 102 HG2 LYS 102 -4.871 -8.647 -2.447 781 HG3 LYS 102 HG1 LYS 102 -5.092 -6.920 -2.179 782 HD2 LYS 102 HD2 LYS 102 -3.758 -6.541 -3.911 783 HD3 LYS 102 HD1 LYS 102 -2.429 -7.231 -2.976 784 HE2 LYS 102 HE2 LYS 102 -3.054 -9.461 -3.807 785 HE3 LYS 102 HE1 LYS 102 -4.308 -8.720 -4.800 786 HZ1 LYS 102 HZ1 LYS 102 -1.389 -8.209 -5.018 787 HZ2 LYS 102 HZ2 LYS 102 -2.585 -7.466 -5.957 788 HZ3 LYS 102 HZ3 LYS 102 -2.318 -9.130 -6.092 789 H GLY 103 HN GLY 103 -3.543 -7.537 1.257 790 HA2 GLY 103 HA2 GLY 103 -4.331 -9.498 3.298 791 HA3 GLY 103 HA1 GLY 103 -3.045 -8.347 3.657 792 H SER 104 HN SER 104 -5.760 -8.653 4.863 793 HA SER 104 HA SER 104 -6.634 -5.897 4.378 794 HB2 SER 104 HB2 SER 104 -8.371 -8.337 4.524 795 HB3 SER 104 HB1 SER 104 -9.001 -6.702 4.678 796 HG SER 104 HG SER 104 -7.427 -7.509 2.474 797 H CYS 105 HN CYS 105 -7.759 -4.885 6.065 798 HA CYS 105 HA CYS 105 -6.745 -5.442 8.659 799 HB2 CYS 105 HB2 CYS 105 -9.161 -3.736 8.390 800 HB3 CYS 105 HB1 CYS 105 -7.673 -3.437 9.266 801 H THR 106 HN THR 106 -8.576 -5.286 10.504 802 HA THR 106 HA THR 106 -9.877 -6.729 11.733 803 HB THR 106 HB THR 106 -11.517 -5.171 10.993 804 HG1 THR 106 HG1 THR 106 -13.138 -6.438 11.505 805 HG21 THR 106 HG21 THR 106 -11.002 -5.169 8.605 806 HG22 THR 106 HG22 THR 106 -12.733 -5.386 8.877 807 HG23 THR 106 HG23 THR 106 -11.731 -6.769 8.439 808 H ASP 107 HN ASP 107 -8.135 -8.150 9.875 809 HA ASP 107 HA ASP 107 -9.470 -10.702 9.983 810 HB2 ASP 107 HB2 ASP 107 -10.250 -9.870 7.814 811 HB3 ASP 107 HB1 ASP 107 -8.585 -9.591 7.314 812 H GLY 108 HN GLY 108 -6.714 -9.309 8.186 813 HA2 GLY 108 HA2 GLY 108 -4.668 -10.143 9.838 814 HA3 GLY 108 HA1 GLY 108 -5.021 -11.521 8.808 815 H GLU 109 HN GLU 109 -4.593 -8.000 8.456 816 HA GLU 109 HA GLU 109 -3.695 -8.076 5.800 817 HB2 GLU 109 HB2 GLU 109 -2.917 -5.794 6.184 818 HB3 GLU 109 HB1 GLU 109 -4.507 -6.034 6.900 819 HG2 GLU 109 HG2 GLU 109 -3.459 -6.344 9.093 820 HG3 GLU 109 HG1 GLU 109 -1.880 -6.054 8.366 821 H GLU 110 HN GLU 110 -1.656 -8.163 4.872 822 HA GLU 110 HA GLU 110 0.649 -8.342 6.617 823 HB2 GLU 110 HB2 GLU 110 1.444 -10.422 5.529 824 HB3 GLU 110 HB1 GLU 110 0.003 -10.637 6.514 825 HG2 GLU 110 HG2 GLU 110 -1.360 -10.503 4.483 826 HG3 GLU 110 HG1 GLU 110 0.119 -10.408 3.534 827 H ILE 111 HN ILE 111 -0.302 -8.784 3.208 828 HA ILE 111 HA ILE 111 1.478 -6.656 2.420 829 HB ILE 111 HB ILE 111 2.657 -8.066 0.727 830 HG12 ILE 111 HG12 ILE 111 2.848 -10.528 1.502 831 HG13 ILE 111 HG11 ILE 111 1.315 -10.230 2.318 832 HG21 ILE 111 HG21 ILE 111 3.586 -7.276 2.946 833 HG22 ILE 111 HG22 ILE 111 4.405 -8.641 2.184 834 HG23 ILE 111 HG23 ILE 111 3.296 -8.917 3.531 835 HD11 ILE 111 HD11 ILE 111 0.369 -9.553 0.145 836 HD12 ILE 111 HD12 ILE 111 0.902 -11.231 0.205 837 HD13 ILE 111 HD13 ILE 111 1.890 -10.024 -0.620 838 H PHE 112 HN PHE 112 1.598 -6.658 -0.112 839 HA PHE 112 HA PHE 112 -1.170 -6.815 -1.071 840 HB2 PHE 112 HB2 PHE 112 -0.536 -4.574 -1.042 841 HB3 PHE 112 HB1 PHE 112 1.103 -4.919 -1.564 842 HD1 PHE 112 HD2 PHE 112 -2.374 -5.274 -2.869 843 HD2 PHE 112 HD1 PHE 112 1.660 -4.208 -3.660 844 HE1 PHE 112 HE2 PHE 112 -3.002 -4.622 -5.154 845 HE2 PHE 112 HE1 PHE 112 1.037 -3.532 -5.942 846 HZ PHE 112 HZ PHE 112 -1.294 -3.748 -6.696 847 H ARG 113 HN ARG 113 -0.566 -9.188 -1.523 848 HA ARG 113 HA ARG 113 0.441 -9.348 -4.270 849 HB2 ARG 113 HB2 ARG 113 1.839 -11.114 -3.852 850 HB3 ARG 113 HB1 ARG 113 1.982 -10.257 -2.333 851 HG2 ARG 113 HG2 ARG 113 0.188 -11.766 -1.428 852 HG3 ARG 113 HG1 ARG 113 0.356 -12.718 -2.908 853 HD2 ARG 113 HD2 ARG 113 2.742 -13.017 -2.399 854 HD3 ARG 113 HD1 ARG 113 2.511 -12.107 -0.907 855 HE ARG 113 HE ARG 113 0.770 -14.376 -1.131 856 HH11 ARG 113 HH11 ARG 113 3.947 -13.304 -0.180 857 HH12 ARG 113 HH12 ARG 113 4.208 -14.625 0.909 858 HH21 ARG 113 HH21 ARG 113 1.107 -16.121 0.302 859 HH22 ARG 113 HH22 ARG 113 2.596 -16.227 1.182 860 H GLY 114 HN GLY 114 -0.772 -10.554 -5.659 861 HA2 GLY 114 HA2 GLY 114 -2.209 -12.721 -5.573 862 HA3 GLY 114 HA1 GLY 114 -3.221 -11.728 -4.534 863 H ASN 115 HN ASN 115 -4.737 -10.460 -5.458 864 HA ASN 115 HA ASN 115 -4.463 -9.378 -8.078 865 HB2 ASN 115 HB2 ASN 115 -5.329 -12.014 -8.031 866 HB3 ASN 115 HB1 ASN 115 -6.819 -11.089 -8.179 867 HD21 ASN 115 HD21 ASN 115 -3.734 -10.011 -9.422 868 HD22 ASN 115 HD22 ASN 115 -4.143 -10.151 -11.095 869 H ASP 116 HN ASP 116 -5.615 -7.584 -8.205 870 HA ASP 116 HA ASP 116 -7.967 -7.288 -6.452 871 HB2 ASP 116 HB2 ASP 116 -7.128 -4.713 -7.085 872 HB3 ASP 116 HB1 ASP 116 -6.897 -5.522 -5.540 873 H ALA 117 HN ALA 117 -9.738 -6.111 -7.300 874 HA ALA 117 HA ALA 117 -9.701 -5.827 -10.236 875 HB1 ALA 117 HB1 ALA 117 -11.904 -6.684 -10.380 876 HB2 ALA 117 HB2 ALA 117 -12.112 -6.643 -8.625 877 HB3 ALA 117 HB3 ALA 117 -11.003 -7.806 -9.360 878 H GLU 118 HN GLU 118 -11.457 -4.424 -11.061 879 HA GLU 118 HA GLU 118 -12.388 -2.355 -11.215 880 HB2 GLU 118 HB2 GLU 118 -12.933 -2.970 -8.304 881 HB3 GLU 118 HB1 GLU 118 -13.688 -1.654 -9.203 882 HG2 GLU 118 HG2 GLU 118 -14.574 -3.402 -10.784 883 HG3 GLU 118 HG1 GLU 118 -13.995 -4.612 -9.636 884 H CYS 119 HN CYS 119 -9.786 -1.903 -11.236 885 HA CYS 119 HA CYS 119 -9.359 0.132 -9.138 886 HB2 CYS 119 HB2 CYS 119 -7.046 -1.119 -10.558 887 HB3 CYS 119 HB1 CYS 119 -7.110 -0.366 -8.976 888 H ARG 120 HN ARG 120 -8.481 2.037 -9.606 889 HA ARG 120 HA ARG 120 -7.749 2.736 -12.332 890 HB2 ARG 120 HB2 ARG 120 -9.255 4.494 -12.473 891 HB3 ARG 120 HB1 ARG 120 -10.216 3.216 -11.748 892 HG2 ARG 120 HG2 ARG 120 -10.737 4.622 -10.135 893 HG3 ARG 120 HG1 ARG 120 -9.058 4.542 -9.611 894 HD2 ARG 120 HD2 ARG 120 -9.394 6.819 -9.893 895 HD3 ARG 120 HD1 ARG 120 -8.638 6.328 -11.410 896 HE ARG 120 HE ARG 120 -11.467 6.217 -11.600 897 HH11 ARG 120 HH11 ARG 120 -8.784 8.441 -11.579 898 HH12 ARG 120 HH12 ARG 120 -9.610 9.646 -12.508 899 HH21 ARG 120 HH21 ARG 120 -12.561 7.799 -12.822 900 HH22 ARG 120 HH22 ARG 120 -11.755 9.282 -13.216 901 HA PRO 121 HA PRO 121 -4.629 5.100 -10.266 902 HB2 PRO 121 HB2 PRO 121 -4.304 7.251 -11.827 903 HB3 PRO 121 HB1 PRO 121 -3.840 5.629 -12.366 904 HG2 PRO 121 HG2 PRO 121 -6.367 7.137 -12.933 905 HG3 PRO 121 HG1 PRO 121 -5.298 6.296 -14.073 906 HD2 PRO 121 HD2 PRO 121 -7.535 5.135 -13.154 907 HD3 PRO 121 HD1 PRO 121 -6.050 4.197 -13.414 908 H PHE 122 HN PHE 122 -4.841 6.178 -8.426 909 HA PHE 122 HA PHE 122 -6.892 8.274 -8.230 910 HB2 PHE 122 HB2 PHE 122 -6.420 6.011 -6.649 911 HB3 PHE 122 HB1 PHE 122 -5.838 7.359 -5.693 912 HD1 PHE 122 HD2 PHE 122 -8.675 7.598 -8.060 913 HD2 PHE 122 HD1 PHE 122 -7.444 7.270 -4.006 914 HE1 PHE 122 HE2 PHE 122 -10.970 8.112 -7.327 915 HE2 PHE 122 HE1 PHE 122 -9.729 7.770 -3.260 916 HZ PHE 122 HZ PHE 122 -11.501 8.199 -4.922 917 H THR 123 HN THR 123 -6.412 10.258 -7.363 918 HA THR 123 HA THR 123 -3.593 10.748 -6.669 919 HB THR 123 HB THR 123 -3.770 12.977 -7.738 920 HG1 THR 123 HG1 THR 123 -5.767 12.565 -9.420 921 HG21 THR 123 HG21 THR 123 -4.348 10.694 -9.617 922 HG22 THR 123 HG22 THR 123 -2.774 11.059 -8.912 923 HG23 THR 123 HG23 THR 123 -3.531 12.205 -10.015 924 H GLY 124 HN GLY 124 -3.665 11.069 -4.545 925 HA2 GLY 124 HA2 GLY 124 -5.851 12.214 -3.153 926 HA3 GLY 124 HA1 GLY 124 -4.255 11.899 -2.495 Start of MODEL 8 1 H1 HIS 6 HT1 HIS 6 -21.019 4.021 -5.149 2 H2 HIS 6 HT2 HIS 6 -22.531 4.774 -5.226 3 H3 HIS 6 HT3 HIS 6 -22.351 3.325 -4.374 4 HA HIS 6 HA HIS 6 -21.063 5.897 -3.675 5 HB2 HIS 6 HB2 HIS 6 -23.448 4.460 -2.499 6 HB3 HIS 6 HB1 HIS 6 -22.607 5.775 -1.684 7 HD1 HIS 6 HD1 HIS 6 -25.205 5.093 -4.170 8 HD2 HIS 6 HD2 HIS 6 -22.803 8.306 -3.090 9 HE1 HIS 6 HE1 HIS 6 -26.277 7.115 -5.213 10 HE2 HIS 6 HE2 HIS 6 -24.782 9.042 -4.582 11 H ARG 7 HN ARG 7 -19.722 3.399 -4.052 12 HA ARG 7 HA ARG 7 -19.174 2.538 -1.296 13 HB2 ARG 7 HB2 ARG 7 -19.733 0.938 -3.313 14 HB3 ARG 7 HB1 ARG 7 -18.023 1.148 -3.667 15 HG2 ARG 7 HG2 ARG 7 -18.764 0.461 -0.885 16 HG3 ARG 7 HG1 ARG 7 -18.917 -0.797 -2.114 17 HD2 ARG 7 HD2 ARG 7 -16.443 0.789 -1.450 18 HD3 ARG 7 HD1 ARG 7 -16.727 -0.901 -1.090 19 HE ARG 7 HE ARG 7 -15.703 0.107 -3.487 20 HH11 ARG 7 HH11 ARG 7 -18.078 -2.204 -2.392 21 HH12 ARG 7 HH12 ARG 7 -17.950 -3.194 -3.808 22 HH21 ARG 7 HH21 ARG 7 -15.535 -1.193 -5.349 23 HH22 ARG 7 HH22 ARG 7 -16.506 -2.620 -5.483 24 H SER 8 HN SER 8 -18.176 4.965 -1.671 25 HA SER 8 HA SER 8 -15.414 4.737 -2.570 26 HB2 SER 8 HB2 SER 8 -16.963 7.102 -1.472 27 HB3 SER 8 HB1 SER 8 -15.280 7.172 -2.002 28 HG SER 8 HG SER 8 -17.550 7.254 -3.475 29 H ALA 9 HN ALA 9 -14.506 3.370 -1.083 30 HA ALA 9 HA ALA 9 -14.810 3.427 1.673 31 HB1 ALA 9 HB1 ALA 9 -12.756 2.152 1.772 32 HB2 ALA 9 HB2 ALA 9 -12.339 2.651 0.132 33 HB3 ALA 9 HB3 ALA 9 -13.739 1.606 0.409 34 H ASN 10 HN ASN 10 -12.817 3.889 3.158 35 HA ASN 10 HA ASN 10 -12.414 6.724 3.047 36 HB2 ASN 10 HB2 ASN 10 -11.490 4.604 4.984 37 HB3 ASN 10 HB1 ASN 10 -11.093 6.309 5.168 38 HD21 ASN 10 HD21 ASN 10 -12.647 4.572 6.901 39 HD22 ASN 10 HD22 ASN 10 -14.203 5.305 7.050 40 H LEU 11 HN LEU 11 -11.223 5.622 0.795 41 HA LEU 11 HA LEU 11 -8.494 5.036 1.000 42 HB2 LEU 11 HB2 LEU 11 -9.742 6.648 -1.212 43 HB3 LEU 11 HB1 LEU 11 -8.320 5.646 -1.291 44 HG LEU 11 HG LEU 11 -10.894 4.356 -0.621 45 HD11 LEU 11 HD11 LEU 11 -11.463 4.149 -2.972 46 HD12 LEU 11 HD12 LEU 11 -10.076 5.159 -3.400 47 HD13 LEU 11 HD13 LEU 11 -11.424 5.846 -2.482 48 HD21 LEU 11 HD21 LEU 11 -8.683 3.456 -2.444 49 HD22 LEU 11 HD22 LEU 11 -9.934 2.473 -1.680 50 HD23 LEU 11 HD23 LEU 11 -8.654 3.189 -0.701 51 H ARG 12 HN ARG 12 -10.250 7.906 1.379 52 HA ARG 12 HA ARG 12 -8.272 9.813 0.764 53 HB2 ARG 12 HB2 ARG 12 -10.133 10.649 2.847 54 HB3 ARG 12 HB1 ARG 12 -9.891 11.303 1.235 55 HG2 ARG 12 HG2 ARG 12 -11.603 8.927 1.954 56 HG3 ARG 12 HG1 ARG 12 -12.174 10.537 1.522 57 HD2 ARG 12 HD2 ARG 12 -10.636 8.650 -0.270 58 HD3 ARG 12 HD1 ARG 12 -12.369 8.985 -0.366 59 HE ARG 12 HE ARG 12 -10.605 11.281 -0.623 60 HH11 ARG 12 HH11 ARG 12 -12.498 8.832 -2.225 61 HH12 ARG 12 HH12 ARG 12 -12.573 9.691 -3.727 62 HH21 ARG 12 HH21 ARG 12 -10.697 12.417 -2.599 63 HH22 ARG 12 HH22 ARG 12 -11.546 11.725 -3.942 64 H ALA 13 HN ALA 13 -9.005 7.944 3.601 65 HA ALA 13 HA ALA 13 -7.211 9.350 5.351 66 HB1 ALA 13 HB1 ALA 13 -7.594 7.510 6.891 67 HB2 ALA 13 HB2 ALA 13 -8.387 6.589 5.614 68 HB3 ALA 13 HB3 ALA 13 -9.122 8.075 6.221 69 H ALA 14 HN ALA 14 -7.112 6.637 3.219 70 HA ALA 14 HA ALA 14 -4.545 5.676 4.036 71 HB1 ALA 14 HB1 ALA 14 -6.300 4.266 2.993 72 HB2 ALA 14 HB2 ALA 14 -4.755 4.188 2.142 73 HB3 ALA 14 HB3 ALA 14 -6.074 5.157 1.482 74 H HIS 15 HN HIS 15 -5.818 7.708 1.499 75 HA HIS 15 HA HIS 15 -3.685 7.967 -0.171 76 HB2 HIS 15 HB2 HIS 15 -6.065 9.491 0.516 77 HB3 HIS 15 HB1 HIS 15 -4.734 10.546 0.080 78 HD1 HIS 15 HD1 HIS 15 -3.462 9.526 -2.248 79 HD2 HIS 15 HD2 HIS 15 -7.519 8.842 -1.658 80 HE1 HIS 15 HE1 HIS 15 -4.400 9.027 -4.518 81 HE2 HIS 15 HE2 HIS 15 -6.877 8.915 -4.162 82 H ALA 16 HN ALA 16 -4.221 9.288 3.014 83 HA ALA 16 HA ALA 16 -1.849 10.944 2.921 84 HB1 ALA 16 HB1 ALA 16 -3.740 11.820 4.135 85 HB2 ALA 16 HB2 ALA 16 -2.420 11.495 5.261 86 HB3 ALA 16 HB3 ALA 16 -3.787 10.385 5.161 87 H ALA 17 HN ALA 17 -2.833 7.798 4.072 88 HA ALA 17 HA ALA 17 -0.605 7.392 5.798 89 HB1 ALA 17 HB1 ALA 17 -2.416 5.392 4.483 90 HB2 ALA 17 HB2 ALA 17 -2.624 6.104 6.083 91 HB3 ALA 17 HB3 ALA 17 -1.248 5.041 5.763 92 H LEU 18 HN LEU 18 -1.388 5.914 2.631 93 HA LEU 18 HA LEU 18 1.138 4.824 2.149 94 HB2 LEU 18 HB2 LEU 18 -0.851 5.891 0.135 95 HB3 LEU 18 HB1 LEU 18 0.499 4.844 -0.249 96 HG LEU 18 HG LEU 18 -1.030 3.211 -0.152 97 HD11 LEU 18 HD11 LEU 18 -0.968 3.698 2.809 98 HD12 LEU 18 HD12 LEU 18 0.253 2.806 1.897 99 HD13 LEU 18 HD13 LEU 18 -1.402 2.198 1.987 100 HD21 LEU 18 HD21 LEU 18 -2.821 4.745 1.678 101 HD22 LEU 18 HD22 LEU 18 -3.239 3.516 0.481 102 HD23 LEU 18 HD23 LEU 18 -2.702 5.119 -0.044 103 H LEU 19 HN LEU 19 -0.071 8.026 1.965 104 HA LEU 19 HA LEU 19 2.091 9.144 0.427 105 HB2 LEU 19 HB2 LEU 19 0.083 10.375 0.367 106 HB3 LEU 19 HB1 LEU 19 -0.163 10.238 2.091 107 HG LEU 19 HG LEU 19 0.495 12.522 1.061 108 HD11 LEU 19 HD11 LEU 19 1.561 13.162 3.113 109 HD12 LEU 19 HD12 LEU 19 2.006 11.489 3.447 110 HD13 LEU 19 HD13 LEU 19 0.308 11.968 3.466 111 HD21 LEU 19 HD21 LEU 19 3.270 11.506 1.493 112 HD22 LEU 19 HD22 LEU 19 2.735 12.964 0.653 113 HD23 LEU 19 HD23 LEU 19 2.504 11.379 -0.089 114 H GLU 20 HN GLU 20 1.102 9.016 3.791 115 HA GLU 20 HA GLU 20 3.228 10.301 5.013 116 HB2 GLU 20 HB2 GLU 20 1.205 9.673 6.220 117 HB3 GLU 20 HB1 GLU 20 1.579 7.973 5.987 118 HG2 GLU 20 HG2 GLU 20 2.253 8.314 8.146 119 HG3 GLU 20 HG1 GLU 20 3.759 8.523 7.248 120 H ASN 21 HN ASN 21 2.911 7.184 3.604 121 HA ASN 21 HA ASN 21 5.408 6.170 4.647 122 HB2 ASN 21 HB2 ASN 21 4.212 4.286 4.238 123 HB3 ASN 21 HB1 ASN 21 3.142 5.093 3.104 124 HD21 ASN 21 HD21 ASN 21 6.128 3.381 3.492 125 HD22 ASN 21 HD22 ASN 21 6.375 3.034 1.821 126 H ALA 22 HN ALA 22 4.029 7.180 1.562 127 HA ALA 22 HA ALA 22 6.089 6.863 -0.177 128 HB1 ALA 22 HB1 ALA 22 4.259 9.263 -0.048 129 HB2 ALA 22 HB2 ALA 22 3.876 7.715 -0.804 130 HB3 ALA 22 HB3 ALA 22 5.163 8.724 -1.464 131 H ARG 23 HN ARG 23 5.763 9.433 2.223 132 HA ARG 23 HA ARG 23 8.048 10.895 1.280 133 HB2 ARG 23 HB2 ARG 23 7.869 12.104 3.435 134 HB3 ARG 23 HB1 ARG 23 6.335 12.046 2.574 135 HG2 ARG 23 HG2 ARG 23 5.528 10.313 4.054 136 HG3 ARG 23 HG1 ARG 23 7.098 10.233 4.856 137 HD2 ARG 23 HD2 ARG 23 5.213 12.586 4.823 138 HD3 ARG 23 HD1 ARG 23 5.540 11.521 6.189 139 HE ARG 23 HE ARG 23 7.968 12.607 5.358 140 HH11 ARG 23 HH11 ARG 23 4.958 13.676 6.750 141 HH12 ARG 23 HH12 ARG 23 5.674 15.006 7.597 142 HH21 ARG 23 HH21 ARG 23 8.919 14.353 6.470 143 HH22 ARG 23 HH22 ARG 23 7.928 15.391 7.438 144 H PHE 24 HN PHE 24 7.418 8.632 3.934 145 HA PHE 24 HA PHE 24 10.058 8.519 4.901 146 HB2 PHE 24 HB2 PHE 24 7.557 7.065 5.291 147 HB3 PHE 24 HB1 PHE 24 8.946 5.992 5.354 148 HD1 PHE 24 HD2 PHE 24 10.753 6.438 7.022 149 HD2 PHE 24 HD1 PHE 24 7.053 8.538 7.047 150 HE1 PHE 24 HE2 PHE 24 11.172 7.137 9.344 151 HE2 PHE 24 HE1 PHE 24 7.463 9.243 9.369 152 HZ PHE 24 HZ PHE 24 9.525 8.540 10.520 153 H MET 25 HN MET 25 8.503 7.239 2.129 154 HA MET 25 HA MET 25 10.414 5.173 1.544 155 HB2 MET 25 HB2 MET 25 8.346 6.590 -0.174 156 HB3 MET 25 HB1 MET 25 9.332 5.250 -0.732 157 HG2 MET 25 HG2 MET 25 7.274 5.180 1.459 158 HG3 MET 25 HG1 MET 25 7.130 4.481 -0.150 159 HE1 MET 25 HE1 MET 25 9.800 4.199 2.992 160 HE2 MET 25 HE2 MET 25 8.995 2.733 3.556 161 HE3 MET 25 HE3 MET 25 8.073 4.224 3.349 162 H GLU 26 HN GLU 26 9.640 8.392 0.400 163 HA GLU 26 HA GLU 26 11.815 8.823 -1.286 164 HB2 GLU 26 HB2 GLU 26 9.735 10.413 0.064 165 HB3 GLU 26 HB1 GLU 26 11.200 11.313 -0.257 166 HG2 GLU 26 HG2 GLU 26 10.918 10.291 -2.661 167 HG3 GLU 26 HG1 GLU 26 9.237 10.133 -2.146 168 H GLN 27 HN GLN 27 11.509 8.711 2.126 169 HA GLN 27 HA GLN 27 13.940 10.149 2.714 170 HB2 GLN 27 HB2 GLN 27 12.031 8.603 4.425 171 HB3 GLN 27 HB1 GLN 27 13.469 9.360 5.051 172 HG2 GLN 27 HG2 GLN 27 12.630 11.423 4.831 173 HG3 GLN 27 HG1 GLN 27 11.594 11.011 3.486 174 HE21 GLN 27 HE21 GLN 27 11.785 9.291 6.530 175 HE22 GLN 27 HE22 GLN 27 10.198 9.693 7.080 176 H PHE 28 HN PHE 28 12.795 6.810 3.143 177 HA PHE 28 HA PHE 28 15.082 5.626 4.067 178 HB2 PHE 28 HB2 PHE 28 12.846 4.512 3.714 179 HB3 PHE 28 HB1 PHE 28 13.276 4.365 2.017 180 HD1 PHE 28 HD2 PHE 28 14.375 3.404 5.425 181 HD2 PHE 28 HD1 PHE 28 14.569 2.581 1.254 182 HE1 PHE 28 HE2 PHE 28 15.568 1.303 5.897 183 HE2 PHE 28 HE1 PHE 28 15.758 0.478 1.718 184 HZ PHE 28 HZ PHE 28 16.265 -0.160 4.043 185 H TYR 29 HN TYR 29 14.166 6.235 0.702 186 HA TYR 29 HA TYR 29 16.511 5.142 -0.464 187 HB2 TYR 29 HB2 TYR 29 14.454 5.562 -1.757 188 HB3 TYR 29 HB1 TYR 29 14.616 7.288 -1.476 189 HD1 TYR 29 HD2 TYR 29 16.321 8.586 -2.646 190 HD2 TYR 29 HD1 TYR 29 15.830 4.431 -3.407 191 HE1 TYR 29 HE2 TYR 29 17.659 8.813 -4.688 192 HE2 TYR 29 HE1 TYR 29 17.172 4.643 -5.457 193 HH TYR 29 HH TYR 29 17.808 6.409 -7.068 194 H ALA 30 HN ALA 30 15.536 8.367 0.583 195 HA ALA 30 HA ALA 30 17.816 9.786 -0.250 196 HB1 ALA 30 HB1 ALA 30 15.900 11.038 0.331 197 HB2 ALA 30 HB2 ALA 30 17.091 11.404 1.580 198 HB3 ALA 30 HB3 ALA 30 15.779 10.272 1.915 199 H LYS 31 HN LYS 31 17.316 7.546 2.267 200 HA LYS 31 HA LYS 31 19.755 8.365 3.682 201 HB2 LYS 31 HB2 LYS 31 17.594 6.424 4.525 202 HB3 LYS 31 HB1 LYS 31 18.959 6.935 5.506 203 HG2 LYS 31 HG2 LYS 31 18.005 8.899 6.053 204 HG3 LYS 31 HG1 LYS 31 17.248 9.097 4.470 205 HD2 LYS 31 HD2 LYS 31 15.502 7.550 5.046 206 HD3 LYS 31 HD1 LYS 31 16.306 7.139 6.563 207 HE2 LYS 31 HE2 LYS 31 14.332 8.776 6.642 208 HE3 LYS 31 HE1 LYS 31 15.800 9.204 7.526 209 HZ1 LYS 31 HZ1 LYS 31 16.443 10.644 5.709 210 HZ2 LYS 31 HZ2 LYS 31 14.904 11.073 6.262 211 HZ3 LYS 31 HZ3 LYS 31 15.072 10.200 4.822 212 H LYS 32 HN LYS 32 18.408 5.987 1.619 213 HA LYS 32 HA LYS 32 20.803 4.315 1.915 214 HB2 LYS 32 HB2 LYS 32 17.919 3.576 1.789 215 HB3 LYS 32 HB1 LYS 32 19.096 2.489 1.077 216 HG2 LYS 32 HG2 LYS 32 19.575 3.478 3.831 217 HG3 LYS 32 HG1 LYS 32 18.331 2.254 3.580 218 HD2 LYS 32 HD2 LYS 32 19.944 0.784 2.527 219 HD3 LYS 32 HD1 LYS 32 21.197 2.021 2.667 220 HE2 LYS 32 HE2 LYS 32 21.035 1.911 5.103 221 HE3 LYS 32 HE1 LYS 32 19.766 0.693 4.968 222 HZ1 LYS 32 HZ1 LYS 32 21.905 -0.321 5.418 223 HZ2 LYS 32 HZ2 LYS 32 22.570 0.387 4.034 224 HZ3 LYS 32 HZ3 LYS 32 21.355 -0.780 3.886 225 H GLY 33 HN GLY 33 18.157 3.820 -0.331 226 HA2 GLY 33 HA2 GLY 33 18.597 5.082 -2.587 227 HA3 GLY 33 HA1 GLY 33 20.045 4.089 -2.554 228 H SER 34 HN SER 34 18.009 2.163 -1.052 229 HA SER 34 HA SER 34 16.328 1.247 -3.181 230 HB2 SER 34 HB2 SER 34 17.427 -1.009 -3.363 231 HB3 SER 34 HB1 SER 34 18.353 0.314 -4.068 232 HG SER 34 HG SER 34 19.813 0.157 -2.502 233 H PHE 35 HN PHE 35 14.911 -0.454 -2.528 234 HA PHE 35 HA PHE 35 14.752 -0.670 0.384 235 HB2 PHE 35 HB2 PHE 35 12.699 -0.896 -1.782 236 HB3 PHE 35 HB1 PHE 35 12.426 -1.716 -0.245 237 HD1 PHE 35 HD1 PHE 35 13.375 1.600 -1.628 238 HD2 PHE 35 HD2 PHE 35 11.499 -0.567 1.515 239 HE1 PHE 35 HE1 PHE 35 12.637 3.717 -0.618 240 HE2 PHE 35 HE2 PHE 35 10.753 1.544 2.529 241 HZ PHE 35 HZ PHE 35 11.323 3.689 1.462 242 H LYS 36 HN LYS 36 13.692 -3.039 -2.115 243 HA LYS 36 HA LYS 36 14.642 -5.131 -0.358 244 HB2 LYS 36 HB2 LYS 36 12.684 -5.725 -1.467 245 HB3 LYS 36 HB1 LYS 36 13.282 -5.211 -3.040 246 HG2 LYS 36 HG2 LYS 36 14.770 -7.100 -3.112 247 HG3 LYS 36 HG1 LYS 36 14.350 -7.544 -1.452 248 HD2 LYS 36 HD2 LYS 36 13.046 -8.988 -2.742 249 HD3 LYS 36 HD1 LYS 36 11.932 -7.684 -2.340 250 HE2 LYS 36 HE2 LYS 36 11.712 -8.273 -4.680 251 HE3 LYS 36 HE1 LYS 36 12.382 -6.649 -4.526 252 HZ1 LYS 36 HZ1 LYS 36 13.952 -9.114 -5.059 253 HZ2 LYS 36 HZ2 LYS 36 14.581 -7.549 -4.938 254 HZ3 LYS 36 HZ3 LYS 36 13.540 -7.944 -6.211 255 H LEU 37 HN LEU 37 16.256 -6.449 -0.617 256 HA LEU 37 HA LEU 37 18.457 -5.467 -2.268 257 HB2 LEU 37 HB2 LEU 37 19.621 -7.154 -0.562 258 HB3 LEU 37 HB1 LEU 37 19.253 -5.489 -0.144 259 HG LEU 37 HG LEU 37 17.147 -6.238 0.955 260 HD11 LEU 37 HD11 LEU 37 17.927 -8.765 -0.267 261 HD12 LEU 37 HD12 LEU 37 16.329 -8.085 0.110 262 HD13 LEU 37 HD13 LEU 37 17.305 -8.847 1.381 263 HD21 LEU 37 HD21 LEU 37 18.172 -7.239 2.893 264 HD22 LEU 37 HD22 LEU 37 19.265 -6.023 2.230 265 HD23 LEU 37 HD23 LEU 37 19.574 -7.735 1.944 266 H THR 38 HN THR 38 16.500 -8.292 -1.669 267 HA THR 38 HA THR 38 17.696 -9.651 -3.958 268 HB THR 38 HB THR 38 18.890 -10.380 -1.810 269 HG1 THR 38 HG1 THR 38 17.504 -12.268 -3.440 270 HG21 THR 38 HG21 THR 38 17.724 -11.928 -0.362 271 HG22 THR 38 HG22 THR 38 16.272 -11.825 -1.361 272 HG23 THR 38 HG23 THR 38 16.801 -10.423 -0.431 273 H SER 39 HN SER 39 16.387 -11.476 -4.690 274 HA SER 39 HA SER 39 13.622 -10.972 -4.543 275 HB2 SER 39 HB2 SER 39 14.940 -13.551 -5.418 276 HB3 SER 39 HB1 SER 39 13.330 -12.976 -5.854 277 HG SER 39 HG SER 39 15.585 -11.409 -6.451 278 H THR 40 HN THR 40 12.153 -11.607 -3.179 279 HA THR 40 HA THR 40 11.005 -12.799 -1.632 280 HB THR 40 HB THR 40 11.640 -14.888 -0.755 281 HG1 THR 40 HG1 THR 40 13.821 -15.692 -1.111 282 HG21 THR 40 HG21 THR 40 12.774 -14.761 -3.545 283 HG22 THR 40 HG22 THR 40 11.052 -14.828 -3.158 284 HG23 THR 40 HG23 THR 40 12.108 -16.179 -2.732 285 H LYS 41 HN LYS 41 12.388 -10.466 -1.039 286 HA LYS 41 HA LYS 41 12.944 -10.914 1.816 287 HB2 LYS 41 HB2 LYS 41 14.936 -10.223 0.357 288 HB3 LYS 41 HB1 LYS 41 14.198 -8.632 0.284 289 HG2 LYS 41 HG2 LYS 41 14.524 -9.883 2.948 290 HG3 LYS 41 HG1 LYS 41 15.969 -9.317 2.129 291 HD2 LYS 41 HD2 LYS 41 13.680 -7.775 3.241 292 HD3 LYS 41 HD1 LYS 41 15.410 -7.443 3.322 293 HE2 LYS 41 HE2 LYS 41 15.297 -6.905 0.862 294 HE3 LYS 41 HE1 LYS 41 13.544 -6.962 1.017 295 HZ1 LYS 41 HZ1 LYS 41 13.708 -5.232 2.725 296 HZ2 LYS 41 HZ2 LYS 41 14.316 -4.711 1.235 297 HZ3 LYS 41 HZ3 LYS 41 15.379 -5.143 2.478 298 H TRP 42 HN TRP 42 12.277 -9.160 3.250 299 HA TRP 42 HA TRP 42 10.160 -7.510 2.040 300 HB2 TRP 42 HB2 TRP 42 9.998 -9.425 4.277 301 HB3 TRP 42 HB1 TRP 42 9.160 -7.895 4.504 302 HD1 TRP 42 HD1 TRP 42 8.631 -8.068 1.075 303 HE1 TRP 42 HE1 TRP 42 6.508 -9.344 0.416 304 HE3 TRP 42 HE3 TRP 42 7.824 -10.632 5.430 305 HZ2 TRP 42 HZ2 TRP 42 4.729 -11.165 1.563 306 HZ3 TRP 42 HZ3 TRP 42 5.875 -12.130 5.560 307 HH2 TRP 42 HH2 TRP 42 4.358 -12.394 3.663 308 HA PRO 43 HA PRO 43 12.618 -4.405 4.348 309 HB2 PRO 43 HB2 PRO 43 11.737 -2.324 2.807 310 HB3 PRO 43 HB1 PRO 43 13.120 -3.332 2.369 311 HG2 PRO 43 HG2 PRO 43 10.287 -3.477 1.413 312 HG3 PRO 43 HG1 PRO 43 11.791 -3.629 0.485 313 HD2 PRO 43 HD2 PRO 43 10.339 -5.781 1.227 314 HD3 PRO 43 HD1 PRO 43 12.117 -5.827 1.123 315 H GLU 44 HN GLU 44 11.763 -3.585 6.193 316 HA GLU 44 HA GLU 44 9.082 -3.690 6.853 317 HB2 GLU 44 HB2 GLU 44 10.958 -3.590 8.455 318 HB3 GLU 44 HB1 GLU 44 11.136 -1.884 8.078 319 HG2 GLU 44 HG2 GLU 44 9.050 -1.348 9.019 320 HG3 GLU 44 HG1 GLU 44 8.572 -3.043 9.086 321 H LEU 45 HN LEU 45 7.378 -2.428 6.648 322 HA LEU 45 HA LEU 45 7.654 0.068 5.182 323 HB2 LEU 45 HB2 LEU 45 5.254 -0.001 4.857 324 HB3 LEU 45 HB1 LEU 45 6.015 -1.479 4.320 325 HG LEU 45 HG LEU 45 4.021 -2.165 5.293 326 HD11 LEU 45 HD11 LEU 45 5.896 -3.488 6.111 327 HD12 LEU 45 HD12 LEU 45 4.548 -3.443 7.250 328 HD13 LEU 45 HD13 LEU 45 5.988 -2.459 7.543 329 HD21 LEU 45 HD21 LEU 45 4.378 0.125 7.031 330 HD22 LEU 45 HD22 LEU 45 3.766 -1.298 7.871 331 HD23 LEU 45 HD23 LEU 45 2.904 -0.666 6.464 332 HA PRO 46 HA PRO 46 7.053 2.668 8.678 333 HB2 PRO 46 HB2 PRO 46 6.085 4.895 7.480 334 HB3 PRO 46 HB1 PRO 46 7.773 4.389 7.360 335 HG2 PRO 46 HG2 PRO 46 5.552 4.064 5.396 336 HG3 PRO 46 HG1 PRO 46 7.253 4.464 5.107 337 HD2 PRO 46 HD2 PRO 46 6.192 1.972 4.748 338 HD3 PRO 46 HD1 PRO 46 7.895 2.271 5.138 339 H VAL 47 HN VAL 47 4.321 3.741 6.651 340 HA VAL 47 HA VAL 47 2.593 3.781 8.940 341 HB VAL 47 HB VAL 47 2.376 5.385 6.993 342 HG11 VAL 47 HG11 VAL 47 2.596 3.704 5.215 343 HG12 VAL 47 HG12 VAL 47 1.137 4.685 5.051 344 HG13 VAL 47 HG13 VAL 47 1.025 3.043 5.687 345 HG21 VAL 47 HG21 VAL 47 0.644 5.091 8.722 346 HG22 VAL 47 HG22 VAL 47 -0.123 3.868 7.707 347 HG23 VAL 47 HG23 VAL 47 -0.016 5.539 7.149 348 H LYS 48 HN LYS 48 1.063 2.355 9.560 349 HA LYS 48 HA LYS 48 0.698 -0.044 7.897 350 HB2 LYS 48 HB2 LYS 48 0.553 -0.114 10.892 351 HB3 LYS 48 HB1 LYS 48 0.784 -1.450 9.773 352 HG2 LYS 48 HG2 LYS 48 2.958 -1.319 10.155 353 HG3 LYS 48 HG1 LYS 48 2.962 0.260 9.367 354 HD2 LYS 48 HD2 LYS 48 2.477 -0.259 12.302 355 HD3 LYS 48 HD1 LYS 48 3.962 0.380 11.595 356 HE2 LYS 48 HE2 LYS 48 2.712 2.328 10.771 357 HE3 LYS 48 HE1 LYS 48 1.244 1.693 11.516 358 HZ1 LYS 48 HZ1 LYS 48 2.286 3.363 12.912 359 HZ2 LYS 48 HZ2 LYS 48 3.722 2.473 12.961 360 HZ3 LYS 48 HZ3 LYS 48 2.321 1.855 13.678 361 H GLU 49 HN GLU 49 -0.783 2.625 9.018 362 HA GLU 49 HA GLU 49 -3.413 1.588 8.551 363 HB2 GLU 49 HB2 GLU 49 -2.991 0.804 10.867 364 HB3 GLU 49 HB1 GLU 49 -2.805 2.480 11.360 365 HG2 GLU 49 HG2 GLU 49 -5.088 2.953 10.730 366 HG3 GLU 49 HG1 GLU 49 -5.292 1.298 10.155 367 H ALA 50 HN ALA 50 -4.593 3.179 7.803 368 HA ALA 50 HA ALA 50 -3.816 5.968 8.112 369 HB1 ALA 50 HB1 ALA 50 -5.565 4.466 6.211 370 HB2 ALA 50 HB2 ALA 50 -4.270 5.618 5.878 371 HB3 ALA 50 HB3 ALA 50 -5.835 6.194 6.448 372 H GLY 51 HN GLY 51 -6.233 7.227 7.834 373 HA2 GLY 51 HA2 GLY 51 -7.277 7.052 10.492 374 HA3 GLY 51 HA1 GLY 51 -7.834 8.136 9.228 375 H GLY 52 HN GLY 52 -7.962 5.301 7.725 376 HA2 GLY 52 HA2 GLY 52 -10.316 4.138 8.923 377 HA3 GLY 52 HA1 GLY 52 -10.646 5.020 7.442 378 H PHE 53 HN PHE 53 -7.629 4.035 7.078 379 HA PHE 53 HA PHE 53 -8.319 1.415 5.923 380 HB2 PHE 53 HB2 PHE 53 -6.880 3.729 4.730 381 HB3 PHE 53 HB1 PHE 53 -6.184 2.148 4.438 382 HD1 PHE 53 HD1 PHE 53 -9.716 3.375 4.537 383 HD2 PHE 53 HD2 PHE 53 -6.634 1.482 2.317 384 HE1 PHE 53 HE1 PHE 53 -11.282 3.011 2.684 385 HE2 PHE 53 HE2 PHE 53 -8.193 1.104 0.460 386 HZ PHE 53 HZ PHE 53 -10.524 1.870 0.642 387 H CYS 54 HN CYS 54 -6.331 0.015 5.697 388 HA CYS 54 HA CYS 54 -4.389 0.614 7.809 389 HB2 CYS 54 HB2 CYS 54 -6.198 -1.562 7.661 390 HB3 CYS 54 HB1 CYS 54 -4.571 -2.190 7.492 391 H ILE 55 HN ILE 55 -2.278 0.181 7.337 392 HA ILE 55 HA ILE 55 -1.799 -0.539 4.536 393 HB ILE 55 HB ILE 55 -0.200 1.319 6.279 394 HG12 ILE 55 HG12 ILE 55 -1.106 2.970 4.491 395 HG13 ILE 55 HG11 ILE 55 -2.312 1.727 4.192 396 HG21 ILE 55 HG21 ILE 55 0.775 1.946 3.988 397 HG22 ILE 55 HG22 ILE 55 0.141 0.387 3.452 398 HG23 ILE 55 HG23 ILE 55 1.332 0.456 4.753 399 HD11 ILE 55 HD11 ILE 55 -3.165 1.911 6.388 400 HD12 ILE 55 HD12 ILE 55 -3.030 3.537 5.724 401 HD13 ILE 55 HD13 ILE 55 -1.832 2.956 6.882 402 H ARG 56 HN ARG 56 0.051 -1.580 3.945 403 HA ARG 56 HA ARG 56 1.776 -2.802 5.921 404 HB2 ARG 56 HB2 ARG 56 -0.327 -4.277 4.463 405 HB3 ARG 56 HB1 ARG 56 1.270 -5.012 4.413 406 HG2 ARG 56 HG2 ARG 56 -0.191 -4.231 6.926 407 HG3 ARG 56 HG1 ARG 56 -0.123 -5.861 6.252 408 HD2 ARG 56 HD2 ARG 56 2.324 -5.835 6.481 409 HD3 ARG 56 HD1 ARG 56 2.235 -4.223 7.191 410 HE ARG 56 HE ARG 56 0.702 -6.297 8.525 411 HH11 ARG 56 HH11 ARG 56 3.661 -4.458 8.389 412 HH12 ARG 56 HH12 ARG 56 4.089 -4.785 10.036 413 HH21 ARG 56 HH21 ARG 56 1.260 -6.732 10.690 414 HH22 ARG 56 HH22 ARG 56 2.724 -6.080 11.342 415 H MET 57 HN MET 57 3.433 -4.253 4.649 416 HA MET 57 HA MET 57 4.576 -2.537 2.677 417 HB2 MET 57 HB2 MET 57 5.806 -4.007 4.403 418 HB3 MET 57 HB1 MET 57 5.542 -5.318 3.260 419 HG2 MET 57 HG2 MET 57 6.535 -3.278 1.696 420 HG3 MET 57 HG1 MET 57 7.459 -3.154 3.193 421 HE1 MET 57 HE1 MET 57 6.005 -6.584 1.619 422 HE2 MET 57 HE2 MET 57 7.261 -6.774 0.397 423 HE3 MET 57 HE3 MET 57 6.220 -5.354 0.372 424 H SER 58 HN SER 58 5.112 -3.141 0.489 425 HA SER 58 HA SER 58 3.094 -3.979 -1.091 426 HB2 SER 58 HB2 SER 58 5.041 -2.982 -2.075 427 HB3 SER 58 HB1 SER 58 6.061 -4.337 -1.560 428 HG SER 58 HG SER 58 5.620 -4.847 -3.604 429 H GLY 59 HN GLY 59 3.352 -6.045 -2.654 430 HA2 GLY 59 HA2 GLY 59 2.248 -8.174 -1.318 431 HA3 GLY 59 HA1 GLY 59 2.957 -8.278 -2.908 432 H GLN 60 HN GLN 60 3.656 -10.303 -2.701 433 HA GLN 60 HA GLN 60 5.011 -11.426 -0.536 434 HB2 GLN 60 HB2 GLN 60 5.885 -12.948 -2.566 435 HB3 GLN 60 HB1 GLN 60 4.278 -13.082 -1.878 436 HG2 GLN 60 HG2 GLN 60 3.341 -11.740 -3.626 437 HG3 GLN 60 HG1 GLN 60 4.951 -11.402 -4.270 438 HE21 GLN 60 HE21 GLN 60 6.065 -13.021 -5.373 439 HE22 GLN 60 HE22 GLN 60 5.264 -14.420 -5.997 440 H ALA 61 HN ALA 61 7.082 -11.667 -0.012 441 HA ALA 61 HA ALA 61 8.967 -9.758 -0.485 442 HB1 ALA 61 HB1 ALA 61 8.967 -11.648 1.227 443 HB2 ALA 61 HB2 ALA 61 10.525 -11.119 0.587 444 HB3 ALA 61 HB3 ALA 61 9.779 -12.602 -0.015 445 H LYS 62 HN LYS 62 8.181 -12.440 -2.560 446 HA LYS 62 HA LYS 62 10.604 -12.324 -4.091 447 HB2 LYS 62 HB2 LYS 62 9.464 -14.400 -4.040 448 HB3 LYS 62 HB1 LYS 62 7.951 -13.657 -4.516 449 HG2 LYS 62 HG2 LYS 62 8.610 -14.667 -6.471 450 HG3 LYS 62 HG1 LYS 62 9.254 -13.038 -6.687 451 HD2 LYS 62 HD2 LYS 62 10.996 -14.503 -7.310 452 HD3 LYS 62 HD1 LYS 62 11.417 -13.912 -5.700 453 HE2 LYS 62 HE2 LYS 62 11.803 -16.322 -5.910 454 HE3 LYS 62 HE1 LYS 62 10.570 -15.958 -4.703 455 HZ1 LYS 62 HZ1 LYS 62 8.865 -16.539 -6.282 456 HZ2 LYS 62 HZ2 LYS 62 9.957 -17.824 -6.142 457 HZ3 LYS 62 HZ3 LYS 62 10.015 -16.811 -7.493 458 H GLY 63 HN GLY 63 7.437 -10.879 -4.277 459 HA2 GLY 63 HA2 GLY 63 8.204 -9.439 -6.727 460 HA3 GLY 63 HA1 GLY 63 6.548 -9.758 -6.236 461 H ILE 64 HN ILE 64 9.442 -8.352 -4.764 462 HA ILE 64 HA ILE 64 7.723 -6.229 -3.715 463 HB ILE 64 HB ILE 64 10.316 -7.314 -2.659 464 HG12 ILE 64 HG12 ILE 64 8.672 -8.769 -1.993 465 HG13 ILE 64 HG11 ILE 64 8.641 -7.612 -0.665 466 HG21 ILE 64 HG21 ILE 64 10.435 -5.012 -2.165 467 HG22 ILE 64 HG22 ILE 64 9.817 -5.792 -0.706 468 HG23 ILE 64 HG23 ILE 64 8.715 -4.931 -1.783 469 HD11 ILE 64 HD11 ILE 64 6.413 -7.878 -1.152 470 HD12 ILE 64 HD12 ILE 64 6.694 -8.012 -2.895 471 HD13 ILE 64 HD13 ILE 64 6.815 -6.438 -2.090 472 H LEU 65 HN LEU 65 8.145 -4.233 -3.740 473 HA LEU 65 HA LEU 65 8.890 -2.881 -5.853 474 HB2 LEU 65 HB2 LEU 65 9.679 -1.107 -4.067 475 HB3 LEU 65 HB1 LEU 65 7.994 -1.530 -4.282 476 HG LEU 65 HG LEU 65 8.424 -3.255 -2.443 477 HD11 LEU 65 HD11 LEU 65 10.809 -3.208 -2.385 478 HD12 LEU 65 HD12 LEU 65 10.227 -2.522 -0.866 479 HD13 LEU 65 HD13 LEU 65 10.820 -1.460 -2.148 480 HD21 LEU 65 HD21 LEU 65 7.546 -1.800 -0.929 481 HD22 LEU 65 HD22 LEU 65 7.345 -0.819 -2.385 482 HD23 LEU 65 HD23 LEU 65 8.720 -0.537 -1.314 483 H GLU 66 HN GLU 66 10.634 -1.902 -6.778 484 HA GLU 66 HA GLU 66 13.272 -2.070 -5.614 485 HB2 GLU 66 HB2 GLU 66 12.536 -3.718 -8.034 486 HB3 GLU 66 HB1 GLU 66 14.193 -3.225 -7.705 487 HG2 GLU 66 HG2 GLU 66 13.745 -4.304 -5.368 488 HG3 GLU 66 HG1 GLU 66 12.458 -5.147 -6.233 489 H GLY 67 HN GLY 67 14.004 -0.080 -5.984 490 HA2 GLY 67 HA2 GLY 67 14.509 1.874 -7.126 491 HA3 GLY 67 HA1 GLY 67 14.029 1.055 -8.617 492 H LYS 68 HN LYS 68 11.697 0.555 -6.423 493 HA LYS 68 HA LYS 68 10.140 2.978 -6.912 494 HB2 LYS 68 HB2 LYS 68 8.312 1.837 -7.870 495 HB3 LYS 68 HB1 LYS 68 9.707 1.126 -8.669 496 HG2 LYS 68 HG2 LYS 68 9.189 -0.896 -7.952 497 HG3 LYS 68 HG1 LYS 68 9.058 -0.343 -6.286 498 HD2 LYS 68 HD2 LYS 68 6.761 0.548 -6.917 499 HD3 LYS 68 HD1 LYS 68 6.926 -0.391 -8.404 500 HE2 LYS 68 HE2 LYS 68 7.482 -2.353 -6.805 501 HE3 LYS 68 HE1 LYS 68 6.724 -1.341 -5.573 502 HZ1 LYS 68 HZ1 LYS 68 4.704 -1.298 -6.849 503 HZ2 LYS 68 HZ2 LYS 68 5.167 -2.908 -6.615 504 HZ3 LYS 68 HZ3 LYS 68 5.421 -2.163 -8.113 505 H PHE 69 HN PHE 69 8.975 3.518 -5.055 506 HA PHE 69 HA PHE 69 8.776 1.376 -3.042 507 HB2 PHE 69 HB2 PHE 69 8.714 4.097 -1.960 508 HB3 PHE 69 HB1 PHE 69 9.621 2.686 -1.421 509 HD1 PHE 69 HD2 PHE 69 11.457 2.029 -3.456 510 HD2 PHE 69 HD1 PHE 69 10.076 5.889 -2.330 511 HE1 PHE 69 HE2 PHE 69 13.504 3.027 -4.381 512 HE2 PHE 69 HE1 PHE 69 12.118 6.894 -3.254 513 HZ PHE 69 HZ PHE 69 13.832 5.465 -4.283 514 H THR 70 HN THR 70 6.741 0.771 -2.603 515 HA THR 70 HA THR 70 4.635 2.808 -2.572 516 HB THR 70 HB THR 70 4.103 0.255 -4.062 517 HG1 THR 70 HG1 THR 70 4.443 2.049 -5.892 518 HG21 THR 70 HG21 THR 70 2.819 2.985 -3.848 519 HG22 THR 70 HG22 THR 70 2.084 1.395 -3.617 520 HG23 THR 70 HG23 THR 70 2.495 1.951 -5.237 521 H LEU 71 HN LEU 71 2.961 2.395 -1.222 522 HA LEU 71 HA LEU 71 2.872 -0.225 0.108 523 HB2 LEU 71 HB2 LEU 71 2.474 2.523 1.259 524 HB3 LEU 71 HB1 LEU 71 1.855 1.089 2.048 525 HG LEU 71 HG LEU 71 4.661 2.014 1.728 526 HD11 LEU 71 HD11 LEU 71 3.351 2.496 3.757 527 HD12 LEU 71 HD12 LEU 71 4.767 1.500 4.078 528 HD13 LEU 71 HD13 LEU 71 3.169 0.763 4.023 529 HD21 LEU 71 HD21 LEU 71 3.813 -0.856 2.104 530 HD22 LEU 71 HD22 LEU 71 5.425 -0.247 2.480 531 HD23 LEU 71 HD23 LEU 71 4.828 -0.200 0.821 532 H LYS 72 HN LYS 72 0.775 -0.922 0.778 533 HA LYS 72 HA LYS 72 -1.407 0.453 -0.641 534 HB2 LYS 72 HB2 LYS 72 -1.036 -1.616 -1.773 535 HB3 LYS 72 HB1 LYS 72 -0.944 -2.495 -0.254 536 HG2 LYS 72 HG2 LYS 72 -3.452 -1.284 -0.210 537 HG3 LYS 72 HG1 LYS 72 -3.245 -1.854 -1.868 538 HD2 LYS 72 HD2 LYS 72 -4.285 -3.579 -0.510 539 HD3 LYS 72 HD1 LYS 72 -2.674 -4.090 -1.015 540 HE2 LYS 72 HE2 LYS 72 -1.808 -3.350 1.191 541 HE3 LYS 72 HE1 LYS 72 -3.462 -2.989 1.681 542 HZ1 LYS 72 HZ1 LYS 72 -2.751 -5.160 2.466 543 HZ2 LYS 72 HZ2 LYS 72 -2.446 -5.662 0.881 544 HZ3 LYS 72 HZ3 LYS 72 -4.027 -5.312 1.367 545 H ALA 73 HN ALA 73 -3.315 0.652 0.329 546 HA ALA 73 HA ALA 73 -3.407 -0.001 3.192 547 HB1 ALA 73 HB1 ALA 73 -3.193 2.425 2.465 548 HB2 ALA 73 HB2 ALA 73 -4.533 2.049 3.563 549 HB3 ALA 73 HB3 ALA 73 -4.832 2.270 1.836 550 H VAL 74 HN VAL 74 -5.384 -0.707 4.012 551 HA VAL 74 HA VAL 74 -7.473 -1.343 2.059 552 HB VAL 74 HB VAL 74 -6.176 -3.195 4.039 553 HG11 VAL 74 HG11 VAL 74 -8.458 -3.562 4.498 554 HG12 VAL 74 HG12 VAL 74 -8.032 -4.806 3.320 555 HG13 VAL 74 HG13 VAL 74 -8.914 -3.369 2.806 556 HG21 VAL 74 HG21 VAL 74 -5.418 -2.911 1.616 557 HG22 VAL 74 HG22 VAL 74 -6.929 -3.720 1.181 558 HG23 VAL 74 HG23 VAL 74 -5.736 -4.552 2.184 559 H ALA 75 HN ALA 75 -9.460 -0.866 2.708 560 HA ALA 75 HA ALA 75 -9.999 0.788 4.819 561 HB1 ALA 75 HB1 ALA 75 -12.390 0.050 4.533 562 HB2 ALA 75 HB2 ALA 75 -11.796 -1.127 3.355 563 HB3 ALA 75 HB3 ALA 75 -11.572 0.604 3.073 564 H LEU 76 HN LEU 76 -10.656 0.608 6.871 565 HA LEU 76 HA LEU 76 -10.060 -1.813 8.264 566 HB2 LEU 76 HB2 LEU 76 -11.359 0.719 9.277 567 HB3 LEU 76 HB1 LEU 76 -10.615 -0.537 10.259 568 HG LEU 76 HG LEU 76 -9.119 1.085 8.210 569 HD11 LEU 76 HD11 LEU 76 -9.863 2.609 9.920 570 HD12 LEU 76 HD12 LEU 76 -8.134 2.303 10.104 571 HD13 LEU 76 HD13 LEU 76 -9.289 1.520 11.185 572 HD21 LEU 76 HD21 LEU 76 -8.155 -0.692 10.446 573 HD22 LEU 76 HD22 LEU 76 -7.136 0.219 9.332 574 HD23 LEU 76 HD23 LEU 76 -8.146 -1.094 8.729 575 H ASP 77 HN ASP 77 -12.808 -0.074 7.117 576 HA ASP 77 HA ASP 77 -14.668 -2.128 8.086 577 HB2 ASP 77 HB2 ASP 77 -15.503 0.269 6.470 578 HB3 ASP 77 HB1 ASP 77 -16.432 -0.643 7.652 579 H ARG 78 HN ARG 78 -12.595 -2.451 6.003 580 HA ARG 78 HA ARG 78 -13.466 -2.366 3.413 581 HB2 ARG 78 HB2 ARG 78 -11.783 -3.910 2.900 582 HB3 ARG 78 HB1 ARG 78 -11.199 -2.945 4.234 583 HG2 ARG 78 HG2 ARG 78 -10.897 -4.746 5.499 584 HG3 ARG 78 HG1 ARG 78 -12.539 -5.323 5.168 585 HD2 ARG 78 HD2 ARG 78 -11.705 -5.999 2.901 586 HD3 ARG 78 HD1 ARG 78 -10.076 -5.699 3.502 587 HE ARG 78 HE ARG 78 -10.951 -7.392 5.344 588 HH11 ARG 78 HH11 ARG 78 -11.300 -7.515 1.878 589 HH12 ARG 78 HH12 ARG 78 -11.343 -9.246 1.816 590 HH21 ARG 78 HH21 ARG 78 -11.005 -9.670 5.270 591 HH22 ARG 78 HH22 ARG 78 -11.177 -10.470 3.742 592 H GLU 79 HN GLU 79 -14.428 -4.689 5.863 593 HA GLU 79 HA GLU 79 -15.451 -6.713 4.263 594 HB2 GLU 79 HB2 GLU 79 -16.923 -5.617 6.658 595 HB3 GLU 79 HB1 GLU 79 -16.905 -7.274 6.069 596 HG2 GLU 79 HG2 GLU 79 -14.555 -7.473 6.702 597 HG3 GLU 79 HG1 GLU 79 -14.583 -5.814 7.300 598 H ALA 80 HN ALA 80 -16.447 -3.520 4.828 599 HA ALA 80 HA ALA 80 -18.876 -3.777 3.231 600 HB1 ALA 80 HB1 ALA 80 -17.897 -1.723 5.204 601 HB2 ALA 80 HB2 ALA 80 -19.332 -2.752 5.311 602 HB3 ALA 80 HB3 ALA 80 -19.280 -1.432 4.140 603 H GLU 81 HN GLU 81 -15.672 -2.437 3.285 604 HA GLU 81 HA GLU 81 -16.178 -1.084 0.707 605 HB2 GLU 81 HB2 GLU 81 -14.053 -0.160 2.600 606 HB3 GLU 81 HB1 GLU 81 -14.855 0.721 1.311 607 HG2 GLU 81 HG2 GLU 81 -16.266 -0.152 3.810 608 HG3 GLU 81 HG1 GLU 81 -15.441 1.399 3.658 609 HA PRO 82 HA PRO 82 -12.944 -4.405 0.022 610 HB2 PRO 82 HB2 PRO 82 -13.603 -4.502 -2.688 611 HB3 PRO 82 HB1 PRO 82 -14.199 -5.613 -1.451 612 HG2 PRO 82 HG2 PRO 82 -15.506 -3.211 -2.644 613 HG3 PRO 82 HG1 PRO 82 -16.230 -4.748 -2.133 614 HD2 PRO 82 HD2 PRO 82 -16.471 -2.513 -0.671 615 HD3 PRO 82 HD1 PRO 82 -16.301 -4.105 0.093 616 H ARG 83 HN ARG 83 -13.656 -1.268 -1.160 617 HA ARG 83 HA ARG 83 -11.726 -0.865 -3.107 618 HB2 ARG 83 HB2 ARG 83 -13.063 0.942 -1.154 619 HB3 ARG 83 HB1 ARG 83 -11.719 1.558 -2.102 620 HG2 ARG 83 HG2 ARG 83 -13.074 0.532 -4.097 621 HG3 ARG 83 HG1 ARG 83 -14.426 0.700 -2.974 622 HD2 ARG 83 HD2 ARG 83 -14.065 3.048 -2.774 623 HD3 ARG 83 HD1 ARG 83 -12.546 2.946 -3.662 624 HE ARG 83 HE ARG 83 -14.660 1.993 -5.268 625 HH11 ARG 83 HH11 ARG 83 -13.380 4.955 -3.950 626 HH12 ARG 83 HH12 ARG 83 -13.972 5.938 -5.247 627 HH21 ARG 83 HH21 ARG 83 -15.440 3.280 -6.981 628 HH22 ARG 83 HH22 ARG 83 -15.143 4.987 -6.970 629 H VAL 84 HN VAL 84 -9.663 -0.505 -3.162 630 HA VAL 84 HA VAL 84 -8.135 -0.378 -0.645 631 HB VAL 84 HB VAL 84 -6.631 -1.624 -2.779 632 HG11 VAL 84 HG11 VAL 84 -6.873 -1.729 -0.003 633 HG12 VAL 84 HG12 VAL 84 -5.711 -2.581 -1.018 634 HG13 VAL 84 HG13 VAL 84 -7.242 -3.352 -0.586 635 HG21 VAL 84 HG21 VAL 84 -9.045 -3.176 -1.887 636 HG22 VAL 84 HG22 VAL 84 -7.825 -3.663 -3.063 637 HG23 VAL 84 HG23 VAL 84 -8.946 -2.354 -3.445 638 H LEU 85 HN LEU 85 -5.916 0.596 -0.954 639 HA LEU 85 HA LEU 85 -5.706 2.251 -3.364 640 HB2 LEU 85 HB2 LEU 85 -6.858 3.537 -1.526 641 HB3 LEU 85 HB1 LEU 85 -5.367 3.436 -0.615 642 HG LEU 85 HG LEU 85 -4.289 4.564 -2.681 643 HD11 LEU 85 HD11 LEU 85 -7.218 5.060 -3.190 644 HD12 LEU 85 HD12 LEU 85 -5.991 4.421 -4.300 645 HD13 LEU 85 HD13 LEU 85 -5.940 6.116 -3.809 646 HD21 LEU 85 HD21 LEU 85 -5.064 6.826 -1.837 647 HD22 LEU 85 HD22 LEU 85 -4.353 5.740 -0.643 648 HD23 LEU 85 HD23 LEU 85 -6.105 5.942 -0.717 649 H ARG 86 HN ARG 86 -3.618 3.312 -3.569 650 HA ARG 86 HA ARG 86 -1.413 2.297 -1.974 651 HB2 ARG 86 HB2 ARG 86 -0.629 0.795 -3.443 652 HB3 ARG 86 HB1 ARG 86 -2.052 1.029 -4.423 653 HG2 ARG 86 HG2 ARG 86 -0.945 2.755 -5.692 654 HG3 ARG 86 HG1 ARG 86 0.470 2.640 -4.649 655 HD2 ARG 86 HD2 ARG 86 0.849 0.350 -5.378 656 HD3 ARG 86 HD1 ARG 86 -0.605 0.409 -6.372 657 HE ARG 86 HE ARG 86 0.989 2.500 -7.214 658 HH11 ARG 86 HH11 ARG 86 1.230 -0.972 -7.038 659 HH12 ARG 86 HH12 ARG 86 2.277 -1.097 -8.412 660 HH21 ARG 86 HH21 ARG 86 2.366 2.343 -9.024 661 HH22 ARG 86 HH22 ARG 86 2.921 0.786 -9.540 662 H LEU 87 HN LEU 87 0.454 3.599 -2.158 663 HA LEU 87 HA LEU 87 0.422 5.781 -4.062 664 HB2 LEU 87 HB2 LEU 87 -0.871 6.550 -2.031 665 HB3 LEU 87 HB1 LEU 87 0.608 6.370 -1.118 666 HG LEU 87 HG LEU 87 1.650 8.182 -2.148 667 HD11 LEU 87 HD11 LEU 87 -0.325 7.706 -4.336 668 HD12 LEU 87 HD12 LEU 87 1.423 7.915 -4.429 669 HD13 LEU 87 HD13 LEU 87 0.380 9.309 -4.137 670 HD21 LEU 87 HD21 LEU 87 -1.261 8.950 -2.052 671 HD22 LEU 87 HD22 LEU 87 0.131 10.009 -1.826 672 HD23 LEU 87 HD23 LEU 87 -0.231 8.761 -0.632 673 H ASN 88 HN ASN 88 2.388 6.063 -4.821 674 HA ASN 88 HA ASN 88 4.608 4.810 -3.371 675 HB2 ASN 88 HB2 ASN 88 5.785 5.181 -5.650 676 HB3 ASN 88 HB1 ASN 88 4.559 3.923 -5.520 677 HD21 ASN 88 HD21 ASN 88 4.881 7.361 -6.312 678 HD22 ASN 88 HD22 ASN 88 3.726 7.350 -7.595 679 H GLU 89 HN GLU 89 6.813 5.935 -4.161 680 HA GLU 89 HA GLU 89 7.028 8.322 -2.687 681 HB2 GLU 89 HB2 GLU 89 9.310 8.346 -3.354 682 HB3 GLU 89 HB1 GLU 89 8.846 6.665 -3.160 683 HG2 GLU 89 HG2 GLU 89 10.062 6.597 -5.103 684 HG3 GLU 89 HG1 GLU 89 8.413 6.741 -5.711 685 H SER 90 HN SER 90 6.263 7.711 -6.000 686 HA SER 90 HA SER 90 6.853 10.397 -6.899 687 HB2 SER 90 HB2 SER 90 7.095 8.499 -8.463 688 HB3 SER 90 HB1 SER 90 5.374 8.151 -8.302 689 HG SER 90 HG SER 90 6.582 9.905 -9.921 690 H LEU 91 HN LEU 91 4.753 9.329 -4.854 691 HA LEU 91 HA LEU 91 2.748 9.939 -4.066 692 HB2 LEU 91 HB2 LEU 91 3.601 12.340 -5.598 693 HB3 LEU 91 HB1 LEU 91 2.087 12.323 -4.708 694 HG LEU 91 HG LEU 91 4.544 13.048 -3.717 695 HD11 LEU 91 HD11 LEU 91 3.426 13.139 -1.555 696 HD12 LEU 91 HD12 LEU 91 2.141 12.104 -2.178 697 HD13 LEU 91 HD13 LEU 91 2.374 13.721 -2.846 698 HD21 LEU 91 HD21 LEU 91 5.231 10.662 -3.649 699 HD22 LEU 91 HD22 LEU 91 3.910 10.363 -2.519 700 HD23 LEU 91 HD23 LEU 91 5.226 11.448 -2.068 701 H THR 92 HN THR 92 2.873 8.451 -6.555 702 HA THR 92 HA THR 92 0.392 9.267 -7.895 703 HB THR 92 HB THR 92 2.465 7.201 -8.642 704 HG1 THR 92 HG1 THR 92 2.088 9.004 -10.541 705 HG21 THR 92 HG21 THR 92 0.277 6.409 -9.327 706 HG22 THR 92 HG22 THR 92 1.175 6.953 -10.745 707 HG23 THR 92 HG23 THR 92 -0.091 7.972 -10.057 708 H ALA 93 HN ALA 93 -1.402 8.404 -7.061 709 HA ALA 93 HA ALA 93 -1.181 5.837 -5.648 710 HB1 ALA 93 HB1 ALA 93 -3.597 7.571 -5.500 711 HB2 ALA 93 HB2 ALA 93 -2.145 8.015 -4.597 712 HB3 ALA 93 HB3 ALA 93 -2.932 6.464 -4.299 713 H VAL 94 HN VAL 94 -2.777 4.299 -5.808 714 HA VAL 94 HA VAL 94 -4.644 4.478 -8.042 715 HB VAL 94 HB VAL 94 -2.641 3.334 -8.971 716 HG11 VAL 94 HG11 VAL 94 -2.372 2.178 -6.533 717 HG12 VAL 94 HG12 VAL 94 -1.614 1.574 -8.005 718 HG13 VAL 94 HG13 VAL 94 -3.127 0.868 -7.440 719 HG21 VAL 94 HG21 VAL 94 -5.179 1.744 -8.633 720 HG22 VAL 94 HG22 VAL 94 -3.885 1.261 -9.732 721 HG23 VAL 94 HG23 VAL 94 -4.722 2.794 -9.977 722 H VAL 95 HN VAL 95 -6.505 3.719 -7.608 723 HA VAL 95 HA VAL 95 -6.908 2.325 -5.070 724 HB VAL 95 HB VAL 95 -8.077 4.385 -5.155 725 HG11 VAL 95 HG11 VAL 95 -9.505 5.030 -7.006 726 HG12 VAL 95 HG12 VAL 95 -9.201 3.492 -7.814 727 HG13 VAL 95 HG13 VAL 95 -7.880 4.656 -7.605 728 HG21 VAL 95 HG21 VAL 95 -10.383 3.712 -4.944 729 HG22 VAL 95 HG22 VAL 95 -9.354 2.437 -4.285 730 HG23 VAL 95 HG23 VAL 95 -10.083 2.250 -5.882 731 H CYS 96 HN CYS 96 -8.249 0.565 -4.920 732 HA CYS 96 HA CYS 96 -8.997 -0.745 -7.438 733 HB2 CYS 96 HB2 CYS 96 -7.804 -1.882 -4.920 734 HB3 CYS 96 HB1 CYS 96 -8.784 -2.888 -5.979 735 H GLY 97 HN GLY 97 -10.877 -2.089 -7.322 736 HA2 GLY 97 HA2 GLY 97 -12.782 -1.054 -5.336 737 HA3 GLY 97 HA1 GLY 97 -13.213 -1.580 -6.959 738 H LYS 98 HN LYS 98 -10.931 -3.617 -5.952 739 HA LYS 98 HA LYS 98 -12.614 -5.390 -4.386 740 HB2 LYS 98 HB2 LYS 98 -12.727 -5.670 -7.078 741 HB3 LYS 98 HB1 LYS 98 -11.342 -6.677 -6.721 742 HG2 LYS 98 HG2 LYS 98 -14.100 -6.936 -5.569 743 HG3 LYS 98 HG1 LYS 98 -13.337 -8.007 -6.749 744 HD2 LYS 98 HD2 LYS 98 -12.146 -9.098 -5.154 745 HD3 LYS 98 HD1 LYS 98 -11.845 -7.627 -4.233 746 HE2 LYS 98 HE2 LYS 98 -13.226 -9.157 -2.962 747 HE3 LYS 98 HE1 LYS 98 -14.120 -7.691 -3.374 748 HZ1 LYS 98 HZ1 LYS 98 -14.324 -10.283 -4.812 749 HZ2 LYS 98 HZ2 LYS 98 -15.205 -8.882 -5.162 750 HZ3 LYS 98 HZ3 LYS 98 -15.452 -9.693 -3.698 751 H MET 99 HN MET 99 -11.398 -6.245 -2.854 752 HA MET 99 HA MET 99 -8.534 -6.610 -3.407 753 HB2 MET 99 HB2 MET 99 -9.382 -4.867 -1.604 754 HB3 MET 99 HB1 MET 99 -9.521 -6.303 -0.606 755 HG2 MET 99 HG2 MET 99 -7.026 -6.456 -1.862 756 HG3 MET 99 HG1 MET 99 -7.196 -4.801 -1.287 757 HE1 MET 99 HE1 MET 99 -8.858 -7.970 0.174 758 HE2 MET 99 HE2 MET 99 -7.628 -8.539 1.310 759 HE3 MET 99 HE3 MET 99 -7.296 -8.530 -0.424 760 H LYS 100 HN LYS 100 -8.272 -8.668 -3.823 761 HA LYS 100 HA LYS 100 -9.882 -10.652 -2.395 762 HB2 LYS 100 HB2 LYS 100 -7.995 -11.116 -4.703 763 HB3 LYS 100 HB1 LYS 100 -9.245 -12.201 -4.110 764 HG2 LYS 100 HG2 LYS 100 -10.954 -10.949 -5.029 765 HG3 LYS 100 HG1 LYS 100 -9.973 -9.485 -5.115 766 HD2 LYS 100 HD2 LYS 100 -8.591 -10.572 -6.860 767 HD3 LYS 100 HD1 LYS 100 -9.687 -11.956 -6.819 768 HE2 LYS 100 HE2 LYS 100 -10.528 -9.125 -7.442 769 HE3 LYS 100 HE1 LYS 100 -10.171 -10.353 -8.658 770 HZ1 LYS 100 HZ1 LYS 100 -12.565 -10.106 -8.140 771 HZ2 LYS 100 HZ2 LYS 100 -12.257 -10.648 -6.567 772 HZ3 LYS 100 HZ3 LYS 100 -11.982 -11.675 -7.883 773 H GLY 101 HN GLY 101 -6.512 -10.493 -3.537 774 HA2 GLY 101 HA2 GLY 101 -5.630 -12.278 -1.446 775 HA3 GLY 101 HA1 GLY 101 -4.627 -11.538 -2.687 776 H LYS 102 HN LYS 102 -3.207 -10.117 -2.004 777 HA LYS 102 HA LYS 102 -1.994 -8.874 -0.485 778 HB2 LYS 102 HB2 LYS 102 -4.142 -7.062 0.187 779 HB3 LYS 102 HB1 LYS 102 -2.719 -6.790 -0.805 780 HG2 LYS 102 HG2 LYS 102 -4.560 -8.332 -2.307 781 HG3 LYS 102 HG1 LYS 102 -5.409 -6.959 -1.602 782 HD2 LYS 102 HD2 LYS 102 -4.417 -5.532 -2.993 783 HD3 LYS 102 HD1 LYS 102 -2.819 -6.192 -2.627 784 HE2 LYS 102 HE2 LYS 102 -3.562 -8.154 -4.124 785 HE3 LYS 102 HE1 LYS 102 -4.777 -7.027 -4.724 786 HZ1 LYS 102 HZ1 LYS 102 -2.883 -6.902 -6.137 787 HZ2 LYS 102 HZ2 LYS 102 -1.830 -6.700 -4.829 788 HZ3 LYS 102 HZ3 LYS 102 -2.925 -5.475 -5.229 789 H GLY 103 HN GLY 103 -3.303 -7.191 1.575 790 HA2 GLY 103 HA2 GLY 103 -4.164 -9.183 3.553 791 HA3 GLY 103 HA1 GLY 103 -2.797 -8.137 3.923 792 H SER 104 HN SER 104 -5.461 -8.335 5.224 793 HA SER 104 HA SER 104 -6.184 -5.496 4.968 794 HB2 SER 104 HB2 SER 104 -8.586 -6.192 5.308 795 HB3 SER 104 HB1 SER 104 -7.905 -6.623 3.746 796 HG SER 104 HG SER 104 -9.089 -8.238 5.340 797 H CYS 105 HN CYS 105 -6.729 -4.462 6.848 798 HA CYS 105 HA CYS 105 -5.997 -5.665 9.312 799 HB2 CYS 105 HB2 CYS 105 -6.929 -3.048 8.447 800 HB3 CYS 105 HB1 CYS 105 -7.712 -3.534 9.943 801 H THR 106 HN THR 106 -7.815 -5.480 11.186 802 HA THR 106 HA THR 106 -9.521 -6.740 12.067 803 HB THR 106 HB THR 106 -10.701 -4.703 11.396 804 HG1 THR 106 HG1 THR 106 -11.784 -6.863 12.079 805 HG21 THR 106 HG21 THR 106 -10.311 -4.651 9.015 806 HG22 THR 106 HG22 THR 106 -12.052 -4.698 9.301 807 HG23 THR 106 HG23 THR 106 -11.205 -6.155 8.794 808 H ASP 107 HN ASP 107 -7.958 -7.995 9.810 809 HA ASP 107 HA ASP 107 -9.629 -10.326 9.494 810 HB2 ASP 107 HB2 ASP 107 -8.774 -8.685 7.093 811 HB3 ASP 107 HB1 ASP 107 -9.304 -10.363 6.991 812 H GLY 108 HN GLY 108 -6.598 -8.654 9.018 813 HA2 GLY 108 HA2 GLY 108 -4.662 -10.006 9.887 814 HA3 GLY 108 HA1 GLY 108 -5.221 -11.257 8.785 815 H GLU 109 HN GLU 109 -4.240 -7.831 8.776 816 HA GLU 109 HA GLU 109 -3.590 -7.799 6.018 817 HB2 GLU 109 HB2 GLU 109 -2.408 -5.650 6.605 818 HB3 GLU 109 HB1 GLU 109 -4.118 -5.720 7.015 819 HG2 GLU 109 HG2 GLU 109 -3.717 -5.830 9.263 820 HG3 GLU 109 HG1 GLU 109 -2.102 -6.499 9.050 821 H GLU 110 HN GLU 110 -1.804 -8.427 4.976 822 HA GLU 110 HA GLU 110 0.619 -8.924 6.547 823 HB2 GLU 110 HB2 GLU 110 -0.797 -10.920 5.572 824 HB3 GLU 110 HB1 GLU 110 0.053 -10.480 4.101 825 HG2 GLU 110 HG2 GLU 110 1.241 -12.228 5.209 826 HG3 GLU 110 HG1 GLU 110 2.183 -10.740 5.255 827 H ILE 111 HN ILE 111 -0.344 -8.796 3.114 828 HA ILE 111 HA ILE 111 1.508 -6.623 2.629 829 HB ILE 111 HB ILE 111 2.589 -7.918 0.732 830 HG12 ILE 111 HG12 ILE 111 2.741 -10.442 1.472 831 HG13 ILE 111 HG11 ILE 111 1.165 -10.110 2.184 832 HG21 ILE 111 HG21 ILE 111 3.288 -8.928 3.472 833 HG22 ILE 111 HG22 ILE 111 3.613 -7.272 2.951 834 HG23 ILE 111 HG23 ILE 111 4.366 -8.627 2.105 835 HD11 ILE 111 HD11 ILE 111 0.781 -11.019 0.061 836 HD12 ILE 111 HD12 ILE 111 1.969 -9.961 -0.697 837 HD13 ILE 111 HD13 ILE 111 0.460 -9.292 -0.077 838 H PHE 112 HN PHE 112 1.652 -6.239 0.156 839 HA PHE 112 HA PHE 112 -1.083 -6.311 -0.924 840 HB2 PHE 112 HB2 PHE 112 -0.571 -4.070 -0.638 841 HB3 PHE 112 HB1 PHE 112 1.132 -4.299 -0.990 842 HD1 PHE 112 HD2 PHE 112 -2.166 -4.560 -2.735 843 HD2 PHE 112 HD1 PHE 112 1.925 -3.413 -2.935 844 HE1 PHE 112 HE2 PHE 112 -2.525 -3.694 -5.010 845 HE2 PHE 112 HE1 PHE 112 1.575 -2.537 -5.208 846 HZ PHE 112 HZ PHE 112 -0.653 -2.681 -6.250 847 H ARG 113 HN ARG 113 -0.621 -8.489 -1.784 848 HA ARG 113 HA ARG 113 1.290 -8.502 -3.994 849 HB2 ARG 113 HB2 ARG 113 1.009 -10.966 -3.967 850 HB3 ARG 113 HB1 ARG 113 1.603 -10.317 -2.449 851 HG2 ARG 113 HG2 ARG 113 -0.519 -10.587 -1.419 852 HG3 ARG 113 HG1 ARG 113 -1.285 -10.980 -2.962 853 HD2 ARG 113 HD2 ARG 113 0.967 -12.616 -1.871 854 HD3 ARG 113 HD1 ARG 113 -0.695 -12.897 -1.355 855 HE ARG 113 HE ARG 113 -0.586 -12.867 -4.164 856 HH11 ARG 113 HH11 ARG 113 0.419 -14.815 -1.457 857 HH12 ARG 113 HH12 ARG 113 0.356 -16.304 -2.340 858 HH21 ARG 113 HH21 ARG 113 -0.675 -14.822 -5.335 859 HH22 ARG 113 HH22 ARG 113 -0.265 -16.308 -4.544 860 H GLY 114 HN GLY 114 0.672 -8.319 -5.991 861 HA2 GLY 114 HA2 GLY 114 -1.586 -7.521 -7.073 862 HA3 GLY 114 HA1 GLY 114 -0.568 -8.664 -7.925 863 H ASN 115 HN ASN 115 -3.526 -8.146 -6.265 864 HA ASN 115 HA ASN 115 -4.730 -10.440 -7.461 865 HB2 ASN 115 HB2 ASN 115 -4.142 -10.422 -4.537 866 HB3 ASN 115 HB1 ASN 115 -5.597 -11.210 -5.132 867 HD21 ASN 115 HD21 ASN 115 -3.160 -12.273 -3.844 868 HD22 ASN 115 HD22 ASN 115 -2.569 -13.487 -4.921 869 H ASP 116 HN ASP 116 -5.016 -7.475 -7.243 870 HA ASP 116 HA ASP 116 -7.677 -7.294 -6.019 871 HB2 ASP 116 HB2 ASP 116 -7.210 -4.755 -6.621 872 HB3 ASP 116 HB1 ASP 116 -6.585 -5.475 -5.147 873 H ALA 117 HN ALA 117 -9.300 -6.012 -7.122 874 HA ALA 117 HA ALA 117 -9.088 -6.027 -10.057 875 HB1 ALA 117 HB1 ALA 117 -11.513 -6.997 -8.538 876 HB2 ALA 117 HB2 ALA 117 -10.296 -8.062 -9.258 877 HB3 ALA 117 HB3 ALA 117 -11.264 -7.007 -10.289 878 H GLU 118 HN GLU 118 -10.907 -4.785 -11.065 879 HA GLU 118 HA GLU 118 -11.945 -2.780 -11.362 880 HB2 GLU 118 HB2 GLU 118 -12.673 -3.478 -8.517 881 HB3 GLU 118 HB1 GLU 118 -13.346 -2.077 -9.350 882 HG2 GLU 118 HG2 GLU 118 -13.583 -4.914 -10.319 883 HG3 GLU 118 HG1 GLU 118 -14.810 -4.074 -9.372 884 H CYS 119 HN CYS 119 -9.410 -2.140 -11.252 885 HA CYS 119 HA CYS 119 -9.219 -0.045 -9.177 886 HB2 CYS 119 HB2 CYS 119 -6.774 -1.175 -10.474 887 HB3 CYS 119 HB1 CYS 119 -6.947 -0.396 -8.912 888 H ARG 120 HN ARG 120 -8.461 1.922 -9.650 889 HA ARG 120 HA ARG 120 -7.679 2.601 -12.371 890 HB2 ARG 120 HB2 ARG 120 -9.291 4.245 -12.598 891 HB3 ARG 120 HB1 ARG 120 -10.182 2.946 -11.822 892 HG2 ARG 120 HG2 ARG 120 -10.817 4.420 -10.309 893 HG3 ARG 120 HG1 ARG 120 -9.155 4.406 -9.725 894 HD2 ARG 120 HD2 ARG 120 -8.566 6.269 -11.035 895 HD3 ARG 120 HD1 ARG 120 -10.052 6.177 -11.973 896 HE ARG 120 HE ARG 120 -10.541 6.630 -9.192 897 HH11 ARG 120 HH11 ARG 120 -9.672 8.174 -12.193 898 HH12 ARG 120 HH12 ARG 120 -10.293 9.723 -11.726 899 HH21 ARG 120 HH21 ARG 120 -11.366 8.670 -8.573 900 HH22 ARG 120 HH22 ARG 120 -11.253 10.004 -9.671 901 HA PRO 121 HA PRO 121 -4.701 5.164 -10.335 902 HB2 PRO 121 HB2 PRO 121 -4.507 7.336 -11.882 903 HB3 PRO 121 HB1 PRO 121 -3.966 5.742 -12.435 904 HG2 PRO 121 HG2 PRO 121 -6.579 7.116 -12.962 905 HG3 PRO 121 HG1 PRO 121 -5.477 6.352 -14.124 906 HD2 PRO 121 HD2 PRO 121 -7.630 5.052 -13.200 907 HD3 PRO 121 HD1 PRO 121 -6.094 4.205 -13.480 908 H PHE 122 HN PHE 122 -4.939 6.211 -8.487 909 HA PHE 122 HA PHE 122 -7.064 8.227 -8.242 910 HB2 PHE 122 HB2 PHE 122 -6.481 5.980 -6.675 911 HB3 PHE 122 HB1 PHE 122 -5.922 7.345 -5.730 912 HD1 PHE 122 HD2 PHE 122 -8.824 7.455 -8.033 913 HD2 PHE 122 HD1 PHE 122 -7.484 7.252 -4.006 914 HE1 PHE 122 HE2 PHE 122 -11.113 7.909 -7.251 915 HE2 PHE 122 HE1 PHE 122 -9.763 7.697 -3.212 916 HZ PHE 122 HZ PHE 122 -11.588 8.031 -4.838 917 H THR 123 HN THR 123 -6.648 10.222 -7.368 918 HA THR 123 HA THR 123 -3.839 10.827 -6.734 919 HB THR 123 HB THR 123 -4.132 13.052 -7.787 920 HG1 THR 123 HG1 THR 123 -6.632 11.921 -8.512 921 HG21 THR 123 HG21 THR 123 -3.059 11.222 -9.002 922 HG22 THR 123 HG22 THR 123 -3.943 12.292 -10.090 923 HG23 THR 123 HG23 THR 123 -4.625 10.728 -9.642 924 H GLY 124 HN GLY 124 -3.867 11.152 -4.608 925 HA2 GLY 124 HA2 GLY 124 -6.065 12.183 -3.145 926 HA3 GLY 124 HA1 GLY 124 -4.432 11.963 -2.543 Start of MODEL 9 1 H1 HIS 6 HT1 HIS 6 -19.452 2.453 -8.792 2 H2 HIS 6 HT2 HIS 6 -19.950 2.147 -7.206 3 H3 HIS 6 HT3 HIS 6 -18.315 2.415 -7.540 4 HA HIS 6 HA HIS 6 -18.779 4.678 -8.202 5 HB2 HIS 6 HB2 HIS 6 -21.601 4.038 -7.310 6 HB3 HIS 6 HB1 HIS 6 -21.015 5.618 -7.817 7 HD1 HIS 6 HD1 HIS 6 -22.483 2.533 -9.095 8 HD2 HIS 6 HD2 HIS 6 -20.285 5.703 -10.638 9 HE1 HIS 6 HE1 HIS 6 -22.787 2.411 -11.589 10 HE2 HIS 6 HE2 HIS 6 -21.394 4.299 -12.506 11 H ARG 7 HN ARG 7 -18.709 2.625 -5.698 12 HA ARG 7 HA ARG 7 -19.311 4.367 -3.510 13 HB2 ARG 7 HB2 ARG 7 -18.670 2.605 -2.103 14 HB3 ARG 7 HB1 ARG 7 -19.318 1.796 -3.522 15 HG2 ARG 7 HG2 ARG 7 -17.398 0.756 -3.903 16 HG3 ARG 7 HG1 ARG 7 -16.480 2.257 -3.783 17 HD2 ARG 7 HD2 ARG 7 -17.343 0.452 -1.540 18 HD3 ARG 7 HD1 ARG 7 -15.700 0.772 -2.072 19 HE ARG 7 HE ARG 7 -16.088 3.098 -1.273 20 HH11 ARG 7 HH11 ARG 7 -17.986 0.460 -0.012 21 HH12 ARG 7 HH12 ARG 7 -18.329 1.254 1.489 22 HH21 ARG 7 HH21 ARG 7 -16.542 4.151 0.705 23 HH22 ARG 7 HH22 ARG 7 -17.510 3.349 1.894 24 H SER 8 HN SER 8 -17.435 4.477 -1.752 25 HA SER 8 HA SER 8 -14.816 4.950 -2.786 26 HB2 SER 8 HB2 SER 8 -14.742 7.382 -2.174 27 HB3 SER 8 HB1 SER 8 -15.779 7.033 -3.559 28 HG SER 8 HG SER 8 -17.050 8.269 -2.334 29 H ALA 9 HN ALA 9 -14.105 3.618 -1.215 30 HA ALA 9 HA ALA 9 -14.842 3.669 1.486 31 HB1 ALA 9 HB1 ALA 9 -13.724 1.774 0.445 32 HB2 ALA 9 HB2 ALA 9 -12.824 2.335 1.855 33 HB3 ALA 9 HB3 ALA 9 -12.263 2.738 0.232 34 H ASN 10 HN ASN 10 -12.710 3.878 3.073 35 HA ASN 10 HA ASN 10 -12.307 6.717 3.229 36 HB2 ASN 10 HB2 ASN 10 -11.312 4.428 4.934 37 HB3 ASN 10 HB1 ASN 10 -10.974 6.121 5.282 38 HD21 ASN 10 HD21 ASN 10 -13.383 3.635 5.207 39 HD22 ASN 10 HD22 ASN 10 -14.591 4.493 6.095 40 H LEU 11 HN LEU 11 -11.166 5.605 0.874 41 HA LEU 11 HA LEU 11 -8.432 5.059 1.005 42 HB2 LEU 11 HB2 LEU 11 -9.747 6.687 -1.154 43 HB3 LEU 11 HB1 LEU 11 -8.320 5.693 -1.282 44 HG LEU 11 HG LEU 11 -10.878 4.389 -0.566 45 HD11 LEU 11 HD11 LEU 11 -10.106 5.197 -3.354 46 HD12 LEU 11 HD12 LEU 11 -11.414 5.917 -2.405 47 HD13 LEU 11 HD13 LEU 11 -11.507 4.222 -2.897 48 HD21 LEU 11 HD21 LEU 11 -8.701 3.506 -2.438 49 HD22 LEU 11 HD22 LEU 11 -9.938 2.515 -1.664 50 HD23 LEU 11 HD23 LEU 11 -8.640 3.220 -0.700 51 H ARG 12 HN ARG 12 -10.192 7.949 1.397 52 HA ARG 12 HA ARG 12 -8.181 9.817 0.754 53 HB2 ARG 12 HB2 ARG 12 -10.641 10.039 2.497 54 HB3 ARG 12 HB1 ARG 12 -9.613 11.384 2.087 55 HG2 ARG 12 HG2 ARG 12 -11.514 11.424 0.659 56 HG3 ARG 12 HG1 ARG 12 -10.084 11.018 -0.295 57 HD2 ARG 12 HD2 ARG 12 -11.861 9.573 -0.970 58 HD3 ARG 12 HD1 ARG 12 -10.686 8.636 -0.057 59 HE ARG 12 HE ARG 12 -12.229 8.750 1.838 60 HH11 ARG 12 HH11 ARG 12 -13.481 9.458 -1.336 61 HH12 ARG 12 HH12 ARG 12 -15.116 9.065 -0.920 62 HH21 ARG 12 HH21 ARG 12 -14.379 8.228 2.393 63 HH22 ARG 12 HH22 ARG 12 -15.625 8.367 1.199 64 H ALA 13 HN ALA 13 -8.883 7.929 3.568 65 HA ALA 13 HA ALA 13 -7.093 9.369 5.313 66 HB1 ALA 13 HB1 ALA 13 -9.090 8.059 6.102 67 HB2 ALA 13 HB2 ALA 13 -7.576 7.696 6.928 68 HB3 ALA 13 HB3 ALA 13 -8.191 6.596 5.695 69 H ALA 14 HN ALA 14 -7.067 6.607 3.239 70 HA ALA 14 HA ALA 14 -4.518 5.598 4.043 71 HB1 ALA 14 HB1 ALA 14 -4.770 4.097 2.169 72 HB2 ALA 14 HB2 ALA 14 -6.046 5.104 1.483 73 HB3 ALA 14 HB3 ALA 14 -6.322 4.233 2.998 74 H HIS 15 HN HIS 15 -5.756 7.667 1.527 75 HA HIS 15 HA HIS 15 -3.632 7.875 -0.168 76 HB2 HIS 15 HB2 HIS 15 -5.977 9.436 0.529 77 HB3 HIS 15 HB1 HIS 15 -4.625 10.480 0.126 78 HD1 HIS 15 HD1 HIS 15 -3.362 9.551 -2.222 79 HD2 HIS 15 HD2 HIS 15 -7.408 8.792 -1.657 80 HE1 HIS 15 HE1 HIS 15 -4.290 9.098 -4.506 81 HE2 HIS 15 HE2 HIS 15 -6.763 8.921 -4.160 82 H ALA 16 HN ALA 16 -4.142 9.238 3.006 83 HA ALA 16 HA ALA 16 -1.716 10.816 2.914 84 HB1 ALA 16 HB1 ALA 16 -3.644 10.325 5.183 85 HB2 ALA 16 HB2 ALA 16 -3.630 11.724 4.109 86 HB3 ALA 16 HB3 ALA 16 -2.283 11.446 5.216 87 H ALA 17 HN ALA 17 -2.785 7.694 4.029 88 HA ALA 17 HA ALA 17 -0.591 7.224 5.788 89 HB1 ALA 17 HB1 ALA 17 -2.464 5.304 4.442 90 HB2 ALA 17 HB2 ALA 17 -2.618 5.973 6.067 91 HB3 ALA 17 HB3 ALA 17 -1.288 4.874 5.690 92 H LEU 18 HN LEU 18 -1.372 5.795 2.602 93 HA LEU 18 HA LEU 18 1.139 4.655 2.136 94 HB2 LEU 18 HB2 LEU 18 -0.839 5.739 0.118 95 HB3 LEU 18 HB1 LEU 18 0.496 4.674 -0.267 96 HG LEU 18 HG LEU 18 -1.046 3.059 -0.150 97 HD11 LEU 18 HD11 LEU 18 -1.447 2.083 2.014 98 HD12 LEU 18 HD12 LEU 18 -0.966 3.584 2.807 99 HD13 LEU 18 HD13 LEU 18 0.222 2.643 1.902 100 HD21 LEU 18 HD21 LEU 18 -3.252 3.403 0.463 101 HD22 LEU 18 HD22 LEU 18 -2.692 5.004 -0.048 102 HD23 LEU 18 HD23 LEU 18 -2.823 4.616 1.672 103 H LEU 19 HN LEU 19 -0.006 7.878 1.967 104 HA LEU 19 HA LEU 19 2.195 8.945 0.440 105 HB2 LEU 19 HB2 LEU 19 0.215 10.227 0.360 106 HB3 LEU 19 HB1 LEU 19 -0.044 10.106 2.083 107 HG LEU 19 HG LEU 19 0.688 12.365 1.044 108 HD11 LEU 19 HD11 LEU 19 2.139 11.294 3.451 109 HD12 LEU 19 HD12 LEU 19 0.461 11.838 3.448 110 HD13 LEU 19 HD13 LEU 19 1.761 12.981 3.103 111 HD21 LEU 19 HD21 LEU 19 3.424 11.239 1.487 112 HD22 LEU 19 HD22 LEU 19 2.958 12.738 0.681 113 HD23 LEU 19 HD23 LEU 19 2.660 11.183 -0.100 114 H GLU 20 HN GLU 20 1.162 8.860 3.799 115 HA GLU 20 HA GLU 20 3.301 10.081 5.056 116 HB2 GLU 20 HB2 GLU 20 1.247 9.471 6.231 117 HB3 GLU 20 HB1 GLU 20 1.608 7.769 5.997 118 HG2 GLU 20 HG2 GLU 20 2.258 8.098 8.167 119 HG3 GLU 20 HG1 GLU 20 3.778 8.297 7.291 120 H ASN 21 HN ASN 21 2.947 6.981 3.620 121 HA ASN 21 HA ASN 21 5.404 5.906 4.695 122 HB2 ASN 21 HB2 ASN 21 4.155 4.064 4.240 123 HB3 ASN 21 HB1 ASN 21 3.156 4.909 3.068 124 HD21 ASN 21 HD21 ASN 21 6.091 3.127 3.564 125 HD22 ASN 21 HD22 ASN 21 6.392 2.778 1.901 126 H ALA 22 HN ALA 22 4.113 6.921 1.572 127 HA ALA 22 HA ALA 22 6.220 6.598 -0.103 128 HB1 ALA 22 HB1 ALA 22 5.322 8.411 -1.446 129 HB2 ALA 22 HB2 ALA 22 4.422 9.022 -0.057 130 HB3 ALA 22 HB3 ALA 22 4.002 7.459 -0.763 131 H ARG 23 HN ARG 23 5.846 9.158 2.291 132 HA ARG 23 HA ARG 23 8.141 10.628 1.384 133 HB2 ARG 23 HB2 ARG 23 7.920 11.843 3.534 134 HB3 ARG 23 HB1 ARG 23 6.407 11.782 2.640 135 HG2 ARG 23 HG2 ARG 23 5.585 10.029 4.103 136 HG3 ARG 23 HG1 ARG 23 7.129 9.995 4.956 137 HD2 ARG 23 HD2 ARG 23 5.453 11.268 6.195 138 HD3 ARG 23 HD1 ARG 23 6.792 12.294 5.686 139 HE ARG 23 HE ARG 23 4.695 12.372 3.783 140 HH11 ARG 23 HH11 ARG 23 5.576 13.531 6.950 141 HH12 ARG 23 HH12 ARG 23 4.586 14.949 6.846 142 HH21 ARG 23 HH21 ARG 23 3.391 14.235 3.638 143 HH22 ARG 23 HH22 ARG 23 3.344 15.350 4.963 144 H PHE 24 HN PHE 24 7.468 8.351 4.006 145 HA PHE 24 HA PHE 24 10.074 8.240 5.059 146 HB2 PHE 24 HB2 PHE 24 7.573 6.773 5.338 147 HB3 PHE 24 HB1 PHE 24 8.957 5.696 5.420 148 HD1 PHE 24 HD2 PHE 24 10.673 6.034 7.176 149 HD2 PHE 24 HD1 PHE 24 7.057 8.274 7.085 150 HE1 PHE 24 HE2 PHE 24 11.019 6.677 9.526 151 HE2 PHE 24 HE1 PHE 24 7.396 8.925 9.435 152 HZ PHE 24 HZ PHE 24 9.379 8.124 10.659 153 H MET 25 HN MET 25 8.587 6.943 2.251 154 HA MET 25 HA MET 25 10.568 4.939 1.671 155 HB2 MET 25 HB2 MET 25 8.460 6.267 -0.063 156 HB3 MET 25 HB1 MET 25 9.461 4.917 -0.574 157 HG2 MET 25 HG2 MET 25 7.335 4.946 1.547 158 HG3 MET 25 HG1 MET 25 7.334 4.073 0.019 159 HE1 MET 25 HE1 MET 25 8.713 2.790 4.024 160 HE2 MET 25 HE2 MET 25 7.971 4.308 3.504 161 HE3 MET 25 HE3 MET 25 9.726 4.122 3.461 162 H GLU 26 HN GLU 26 9.652 8.108 0.478 163 HA GLU 26 HA GLU 26 11.747 8.587 -1.287 164 HB2 GLU 26 HB2 GLU 26 9.730 10.181 0.184 165 HB3 GLU 26 HB1 GLU 26 11.125 11.072 -0.381 166 HG2 GLU 26 HG2 GLU 26 10.674 10.146 -2.664 167 HG3 GLU 26 HG1 GLU 26 9.169 9.499 -2.016 168 H GLN 27 HN GLN 27 11.599 8.595 2.146 169 HA GLN 27 HA GLN 27 14.000 10.150 2.532 170 HB2 GLN 27 HB2 GLN 27 12.146 8.697 4.366 171 HB3 GLN 27 HB1 GLN 27 13.650 9.376 4.946 172 HG2 GLN 27 HG2 GLN 27 11.687 11.031 3.431 173 HG3 GLN 27 HG1 GLN 27 11.497 10.756 5.159 174 HE21 GLN 27 HE21 GLN 27 14.311 10.725 5.728 175 HE22 GLN 27 HE22 GLN 27 14.876 12.350 5.590 176 H PHE 28 HN PHE 28 13.035 6.811 3.327 177 HA PHE 28 HA PHE 28 15.459 5.792 4.093 178 HB2 PHE 28 HB2 PHE 28 13.344 4.518 4.110 179 HB3 PHE 28 HB1 PHE 28 13.419 4.398 2.368 180 HD1 PHE 28 HD2 PHE 28 14.934 3.320 5.525 181 HD2 PHE 28 HD1 PHE 28 14.826 2.827 1.305 182 HE1 PHE 28 HE2 PHE 28 16.222 1.237 5.742 183 HE2 PHE 28 HE1 PHE 28 16.099 0.747 1.513 184 HZ PHE 28 HZ PHE 28 16.805 -0.051 3.731 185 H TYR 29 HN TYR 29 14.217 6.281 0.843 186 HA TYR 29 HA TYR 29 16.464 5.180 -0.524 187 HB2 TYR 29 HB2 TYR 29 14.397 5.336 -1.721 188 HB3 TYR 29 HB1 TYR 29 14.221 7.038 -1.335 189 HD1 TYR 29 HD1 TYR 29 16.145 4.624 -3.368 190 HD2 TYR 29 HD2 TYR 29 15.185 8.716 -2.718 191 HE1 TYR 29 HE1 TYR 29 17.211 5.204 -5.504 192 HE2 TYR 29 HE2 TYR 29 16.250 9.310 -4.855 193 HH TYR 29 HH TYR 29 17.972 8.375 -6.379 194 H ALA 30 HN ALA 30 15.444 8.393 0.502 195 HA ALA 30 HA ALA 30 17.589 9.842 -0.650 196 HB1 ALA 30 HB1 ALA 30 16.946 11.573 1.085 197 HB2 ALA 30 HB2 ALA 30 15.733 10.423 1.656 198 HB3 ALA 30 HB3 ALA 30 15.652 11.049 0.010 199 H LYS 31 HN LYS 31 17.415 7.656 1.895 200 HA LYS 31 HA LYS 31 19.851 8.658 3.192 201 HB2 LYS 31 HB2 LYS 31 17.958 6.496 4.137 202 HB3 LYS 31 HB1 LYS 31 19.277 7.208 5.054 203 HG2 LYS 31 HG2 LYS 31 18.096 9.064 5.579 204 HG3 LYS 31 HG1 LYS 31 17.198 9.057 4.060 205 HD2 LYS 31 HD2 LYS 31 15.693 7.409 4.832 206 HD3 LYS 31 HD1 LYS 31 16.737 6.987 6.195 207 HE2 LYS 31 HE2 LYS 31 15.227 9.565 5.809 208 HE3 LYS 31 HE1 LYS 31 14.832 8.283 6.951 209 HZ1 LYS 31 HZ1 LYS 31 16.937 8.693 8.076 210 HZ2 LYS 31 HZ2 LYS 31 15.993 10.095 8.039 211 HZ3 LYS 31 HZ3 LYS 31 17.303 9.932 6.983 212 H LYS 32 HN LYS 32 18.533 6.096 1.280 213 HA LYS 32 HA LYS 32 21.070 4.621 1.458 214 HB2 LYS 32 HB2 LYS 32 18.234 3.726 1.350 215 HB3 LYS 32 HB1 LYS 32 19.448 2.724 0.580 216 HG2 LYS 32 HG2 LYS 32 19.991 3.641 3.337 217 HG3 LYS 32 HG1 LYS 32 18.741 2.419 3.114 218 HD2 LYS 32 HD2 LYS 32 20.321 0.986 1.945 219 HD3 LYS 32 HD1 LYS 32 21.575 2.220 2.098 220 HE2 LYS 32 HE2 LYS 32 21.528 2.010 4.511 221 HE3 LYS 32 HE1 LYS 32 20.195 0.859 4.409 222 HZ1 LYS 32 HZ1 LYS 32 22.928 0.434 3.325 223 HZ2 LYS 32 HZ2 LYS 32 21.652 -0.672 3.241 224 HZ3 LYS 32 HZ3 LYS 32 22.312 -0.256 4.742 225 H GLY 33 HN GLY 33 18.398 4.145 -0.783 226 HA2 GLY 33 HA2 GLY 33 18.860 5.443 -3.022 227 HA3 GLY 33 HA1 GLY 33 20.272 4.395 -3.015 228 H SER 34 HN SER 34 18.211 2.525 -1.516 229 HA SER 34 HA SER 34 16.457 1.676 -3.626 230 HB2 SER 34 HB2 SER 34 18.777 -0.117 -2.853 231 HB3 SER 34 HB1 SER 34 17.432 -0.571 -3.901 232 HG SER 34 HG SER 34 19.355 1.458 -4.394 233 H PHE 35 HN PHE 35 14.987 0.000 -2.907 234 HA PHE 35 HA PHE 35 14.853 -0.077 0.015 235 HB2 PHE 35 HB2 PHE 35 12.883 0.308 -2.015 236 HB3 PHE 35 HB1 PHE 35 12.450 -1.120 -1.072 237 HD1 PHE 35 HD1 PHE 35 12.961 2.486 -1.016 238 HD2 PHE 35 HD2 PHE 35 11.993 -0.942 1.308 239 HE1 PHE 35 HE1 PHE 35 12.185 3.947 0.798 240 HE2 PHE 35 HE2 PHE 35 11.212 0.511 3.132 241 HZ PHE 35 HZ PHE 35 11.309 2.959 2.878 242 H LYS 36 HN LYS 36 14.230 -2.334 -2.708 243 HA LYS 36 HA LYS 36 14.589 -4.543 -0.851 244 HB2 LYS 36 HB2 LYS 36 12.875 -5.085 -2.251 245 HB3 LYS 36 HB1 LYS 36 13.592 -4.296 -3.647 246 HG2 LYS 36 HG2 LYS 36 15.215 -6.146 -3.812 247 HG3 LYS 36 HG1 LYS 36 14.414 -6.935 -2.448 248 HD2 LYS 36 HD2 LYS 36 12.413 -7.237 -3.682 249 HD3 LYS 36 HD1 LYS 36 12.951 -6.150 -4.961 250 HE2 LYS 36 HE2 LYS 36 14.766 -7.773 -5.483 251 HE3 LYS 36 HE1 LYS 36 14.062 -8.874 -4.300 252 HZ1 LYS 36 HZ1 LYS 36 12.656 -7.835 -6.701 253 HZ2 LYS 36 HZ2 LYS 36 12.043 -8.955 -5.590 254 HZ3 LYS 36 HZ3 LYS 36 13.356 -9.371 -6.573 255 H LEU 37 HN LEU 37 16.264 -5.914 -0.814 256 HA LEU 37 HA LEU 37 18.616 -5.108 -2.372 257 HB2 LEU 37 HB2 LEU 37 19.655 -6.536 -0.351 258 HB3 LEU 37 HB1 LEU 37 19.416 -4.802 -0.297 259 HG LEU 37 HG LEU 37 17.375 -6.772 0.764 260 HD11 LEU 37 HD11 LEU 37 19.419 -7.141 1.988 261 HD12 LEU 37 HD12 LEU 37 18.295 -6.230 2.997 262 HD13 LEU 37 HD13 LEU 37 19.644 -5.405 2.215 263 HD21 LEU 37 HD21 LEU 37 17.772 -3.794 0.946 264 HD22 LEU 37 HD22 LEU 37 16.833 -4.672 2.151 265 HD23 LEU 37 HD23 LEU 37 16.331 -4.693 0.458 266 H THR 38 HN THR 38 16.663 -7.873 -1.398 267 HA THR 38 HA THR 38 18.122 -9.487 -3.362 268 HB THR 38 HB THR 38 19.173 -9.952 -1.192 269 HG1 THR 38 HG1 THR 38 18.374 -11.691 -2.870 270 HG21 THR 38 HG21 THR 38 17.930 -10.864 0.649 271 HG22 THR 38 HG22 THR 38 16.456 -10.928 -0.320 272 HG23 THR 38 HG23 THR 38 17.133 -9.365 0.149 273 H SER 39 HN SER 39 17.005 -11.749 -3.462 274 HA SER 39 HA SER 39 14.195 -11.256 -3.901 275 HB2 SER 39 HB2 SER 39 14.177 -13.480 -4.956 276 HB3 SER 39 HB1 SER 39 15.485 -12.487 -5.602 277 HG SER 39 HG SER 39 16.896 -13.589 -4.143 278 H THR 40 HN THR 40 12.598 -11.894 -2.669 279 HA THR 40 HA THR 40 11.361 -12.916 -1.073 280 HB THR 40 HB THR 40 11.865 -15.039 -0.204 281 HG1 THR 40 HG1 THR 40 14.311 -14.175 0.040 282 HG21 THR 40 HG21 THR 40 12.451 -16.327 -2.146 283 HG22 THR 40 HG22 THR 40 13.228 -14.928 -2.886 284 HG23 THR 40 HG23 THR 40 11.480 -14.939 -2.642 285 H LYS 41 HN LYS 41 12.617 -10.652 -0.464 286 HA LYS 41 HA LYS 41 13.237 -10.954 2.384 287 HB2 LYS 41 HB2 LYS 41 14.861 -9.157 2.185 288 HB3 LYS 41 HB1 LYS 41 15.247 -10.443 1.058 289 HG2 LYS 41 HG2 LYS 41 15.021 -9.116 -0.675 290 HG3 LYS 41 HG1 LYS 41 13.492 -8.468 -0.069 291 HD2 LYS 41 HD2 LYS 41 16.211 -7.676 0.893 292 HD3 LYS 41 HD1 LYS 41 15.302 -6.795 -0.331 293 HE2 LYS 41 HE2 LYS 41 14.743 -5.623 1.529 294 HE3 LYS 41 HE1 LYS 41 13.450 -6.817 1.498 295 HZ1 LYS 41 HZ1 LYS 41 15.930 -7.150 3.083 296 HZ2 LYS 41 HZ2 LYS 41 14.517 -8.074 3.178 297 HZ3 LYS 41 HZ3 LYS 41 14.516 -6.470 3.711 298 H TRP 42 HN TRP 42 12.555 -9.044 3.668 299 HA TRP 42 HA TRP 42 10.467 -7.505 2.282 300 HB2 TRP 42 HB2 TRP 42 10.192 -9.336 4.557 301 HB3 TRP 42 HB1 TRP 42 9.399 -7.781 4.766 302 HD1 TRP 42 HD1 TRP 42 8.891 -7.925 1.346 303 HE1 TRP 42 HE1 TRP 42 6.756 -9.164 0.657 304 HE3 TRP 42 HE3 TRP 42 8.002 -10.506 5.671 305 HZ2 TRP 42 HZ2 TRP 42 4.932 -10.964 1.775 306 HZ3 TRP 42 HZ3 TRP 42 6.026 -11.971 5.775 307 HH2 TRP 42 HH2 TRP 42 4.520 -12.199 3.864 308 HA PRO 43 HA PRO 43 12.631 -4.217 4.599 309 HB2 PRO 43 HB2 PRO 43 11.669 -2.186 3.061 310 HB3 PRO 43 HB1 PRO 43 13.078 -3.141 2.586 311 HG2 PRO 43 HG2 PRO 43 10.227 -3.404 1.706 312 HG3 PRO 43 HG1 PRO 43 11.707 -3.457 0.730 313 HD2 PRO 43 HD2 PRO 43 10.407 -5.697 1.480 314 HD3 PRO 43 HD1 PRO 43 12.176 -5.636 1.325 315 H GLU 44 HN GLU 44 11.629 -3.489 6.458 316 HA GLU 44 HA GLU 44 8.897 -3.812 6.882 317 HB2 GLU 44 HB2 GLU 44 10.684 -3.671 8.643 318 HB3 GLU 44 HB1 GLU 44 10.608 -1.926 8.448 319 HG2 GLU 44 HG2 GLU 44 8.515 -1.764 9.357 320 HG3 GLU 44 HG1 GLU 44 8.088 -3.421 8.924 321 H LEU 45 HN LEU 45 7.179 -2.510 6.998 322 HA LEU 45 HA LEU 45 7.248 -0.112 5.345 323 HB2 LEU 45 HB2 LEU 45 4.821 -0.300 5.383 324 HB3 LEU 45 HB1 LEU 45 5.548 -1.834 4.941 325 HG LEU 45 HG LEU 45 5.069 -1.604 7.790 326 HD11 LEU 45 HD11 LEU 45 2.777 -1.277 5.931 327 HD12 LEU 45 HD12 LEU 45 3.217 -0.297 7.332 328 HD13 LEU 45 HD13 LEU 45 2.605 -1.938 7.557 329 HD21 LEU 45 HD21 LEU 45 5.491 -3.736 7.258 330 HD22 LEU 45 HD22 LEU 45 4.772 -3.586 5.654 331 HD23 LEU 45 HD23 LEU 45 3.733 -3.767 7.067 332 HA PRO 46 HA PRO 46 6.887 2.581 8.851 333 HB2 PRO 46 HB2 PRO 46 6.062 4.840 7.639 334 HB3 PRO 46 HB1 PRO 46 7.695 4.200 7.431 335 HG2 PRO 46 HG2 PRO 46 5.363 4.079 5.590 336 HG3 PRO 46 HG1 PRO 46 7.085 4.234 5.210 337 HD2 PRO 46 HD2 PRO 46 5.596 1.887 5.078 338 HD3 PRO 46 HD1 PRO 46 7.363 1.984 5.131 339 H VAL 47 HN VAL 47 4.136 3.421 6.712 340 HA VAL 47 HA VAL 47 2.423 3.630 9.046 341 HB VAL 47 HB VAL 47 2.268 5.251 7.093 342 HG11 VAL 47 HG11 VAL 47 0.919 2.902 5.801 343 HG12 VAL 47 HG12 VAL 47 2.419 3.678 5.272 344 HG13 VAL 47 HG13 VAL 47 0.891 4.556 5.194 345 HG21 VAL 47 HG21 VAL 47 -0.282 3.831 7.817 346 HG22 VAL 47 HG22 VAL 47 -0.111 5.502 7.275 347 HG23 VAL 47 HG23 VAL 47 0.538 5.010 8.839 348 H LYS 48 HN LYS 48 0.908 2.187 9.658 349 HA LYS 48 HA LYS 48 0.540 -0.186 7.960 350 HB2 LYS 48 HB2 LYS 48 0.334 -0.278 10.952 351 HB3 LYS 48 HB1 LYS 48 0.581 -1.606 9.828 352 HG2 LYS 48 HG2 LYS 48 2.747 -1.491 10.259 353 HG3 LYS 48 HG1 LYS 48 2.776 0.090 9.476 354 HD2 LYS 48 HD2 LYS 48 2.234 -0.434 12.399 355 HD3 LYS 48 HD1 LYS 48 3.732 0.204 11.722 356 HE2 LYS 48 HE2 LYS 48 2.473 2.145 10.858 357 HE3 LYS 48 HE1 LYS 48 1.015 1.517 11.629 358 HZ1 LYS 48 HZ1 LYS 48 3.508 2.336 13.025 359 HZ2 LYS 48 HZ2 LYS 48 2.133 1.698 13.776 360 HZ3 LYS 48 HZ3 LYS 48 2.051 3.199 12.999 361 H GLU 49 HN GLU 49 -0.935 2.481 9.096 362 HA GLU 49 HA GLU 49 -3.558 1.484 8.534 363 HB2 GLU 49 HB2 GLU 49 -3.164 0.669 10.870 364 HB3 GLU 49 HB1 GLU 49 -3.068 2.349 11.371 365 HG2 GLU 49 HG2 GLU 49 -5.339 2.733 10.634 366 HG3 GLU 49 HG1 GLU 49 -5.450 1.071 10.059 367 H ALA 50 HN ALA 50 -4.674 3.113 7.757 368 HA ALA 50 HA ALA 50 -3.855 5.877 8.150 369 HB1 ALA 50 HB1 ALA 50 -4.271 5.614 5.904 370 HB2 ALA 50 HB2 ALA 50 -5.857 6.155 6.449 371 HB3 ALA 50 HB3 ALA 50 -5.559 4.438 6.169 372 H GLY 51 HN GLY 51 -6.273 7.169 7.824 373 HA2 GLY 51 HA2 GLY 51 -7.327 7.027 10.467 374 HA3 GLY 51 HA1 GLY 51 -7.925 8.052 9.171 375 H GLY 52 HN GLY 52 -8.032 5.268 7.668 376 HA2 GLY 52 HA2 GLY 52 -10.301 4.010 8.947 377 HA3 GLY 52 HA1 GLY 52 -10.697 4.876 7.475 378 H PHE 53 HN PHE 53 -7.651 3.954 7.038 379 HA PHE 53 HA PHE 53 -8.344 1.335 5.875 380 HB2 PHE 53 HB2 PHE 53 -6.865 3.646 4.720 381 HB3 PHE 53 HB1 PHE 53 -6.198 2.055 4.407 382 HD1 PHE 53 HD1 PHE 53 -9.714 3.312 4.538 383 HD2 PHE 53 HD2 PHE 53 -6.654 1.456 2.262 384 HE1 PHE 53 HE1 PHE 53 -11.290 2.996 2.688 385 HE2 PHE 53 HE2 PHE 53 -8.224 1.126 0.405 386 HZ PHE 53 HZ PHE 53 -10.549 1.899 0.616 387 H CYS 54 HN CYS 54 -6.375 -0.084 5.632 388 HA CYS 54 HA CYS 54 -4.426 0.466 7.749 389 HB2 CYS 54 HB2 CYS 54 -6.261 -1.670 7.630 390 HB3 CYS 54 HB1 CYS 54 -4.658 -2.333 7.364 391 H ILE 55 HN ILE 55 -2.324 0.010 7.285 392 HA ILE 55 HA ILE 55 -1.835 -0.654 4.469 393 HB ILE 55 HB ILE 55 -0.262 1.174 6.262 394 HG12 ILE 55 HG12 ILE 55 -1.138 2.853 4.488 395 HG13 ILE 55 HG11 ILE 55 -2.343 1.618 4.156 396 HG21 ILE 55 HG21 ILE 55 0.108 0.361 3.397 397 HG22 ILE 55 HG22 ILE 55 1.268 0.268 4.724 398 HG23 ILE 55 HG23 ILE 55 0.806 1.838 4.064 399 HD11 ILE 55 HD11 ILE 55 -3.230 1.772 6.338 400 HD12 ILE 55 HD12 ILE 55 -3.063 3.412 5.717 401 HD13 ILE 55 HD13 ILE 55 -1.892 2.786 6.877 402 H ARG 56 HN ARG 56 -0.017 -1.719 3.862 403 HA ARG 56 HA ARG 56 1.804 -2.886 5.800 404 HB2 ARG 56 HB2 ARG 56 -0.263 -4.476 4.306 405 HB3 ARG 56 HB1 ARG 56 1.309 -5.192 4.626 406 HG2 ARG 56 HG2 ARG 56 -0.541 -4.089 6.729 407 HG3 ARG 56 HG1 ARG 56 -0.382 -5.794 6.304 408 HD2 ARG 56 HD2 ARG 56 1.966 -5.748 6.950 409 HD3 ARG 56 HD1 ARG 56 1.837 -4.034 7.341 410 HE ARG 56 HE ARG 56 -0.054 -5.579 8.797 411 HH11 ARG 56 HH11 ARG 56 3.313 -4.692 8.677 412 HH12 ARG 56 HH12 ARG 56 3.569 -4.931 10.373 413 HH21 ARG 56 HH21 ARG 56 0.276 -5.897 11.032 414 HH22 ARG 56 HH22 ARG 56 1.845 -5.618 11.711 415 H MET 57 HN MET 57 3.664 -3.829 4.776 416 HA MET 57 HA MET 57 4.550 -2.429 2.533 417 HB2 MET 57 HB2 MET 57 5.903 -3.691 4.342 418 HB3 MET 57 HB1 MET 57 5.715 -5.083 3.283 419 HG2 MET 57 HG2 MET 57 6.545 -3.100 1.570 420 HG3 MET 57 HG1 MET 57 7.463 -2.781 3.042 421 HE1 MET 57 HE1 MET 57 6.443 -5.319 0.378 422 HE2 MET 57 HE2 MET 57 6.239 -6.386 1.771 423 HE3 MET 57 HE3 MET 57 7.541 -6.675 0.620 424 H SER 58 HN SER 58 5.115 -3.168 0.419 425 HA SER 58 HA SER 58 3.133 -4.209 -1.096 426 HB2 SER 58 HB2 SER 58 4.988 -3.144 -2.166 427 HB3 SER 58 HB1 SER 58 6.115 -4.366 -1.554 428 HG SER 58 HG SER 58 5.743 -5.155 -3.497 429 H GLY 59 HN GLY 59 3.315 -6.269 -2.492 430 HA2 GLY 59 HA2 GLY 59 2.439 -8.425 -1.129 431 HA3 GLY 59 HA1 GLY 59 3.167 -8.533 -2.709 432 H GLN 60 HN GLN 60 4.040 -10.484 -2.493 433 HA GLN 60 HA GLN 60 5.371 -11.507 -0.251 434 HB2 GLN 60 HB2 GLN 60 6.376 -13.087 -2.091 435 HB3 GLN 60 HB1 GLN 60 4.678 -13.170 -1.648 436 HG2 GLN 60 HG2 GLN 60 4.083 -11.823 -3.559 437 HG3 GLN 60 HG1 GLN 60 5.783 -11.642 -3.982 438 HE21 GLN 60 HE21 GLN 60 3.567 -12.776 -5.517 439 HE22 GLN 60 HE22 GLN 60 4.039 -14.390 -5.914 440 H ALA 61 HN ALA 61 7.453 -11.699 0.326 441 HA ALA 61 HA ALA 61 9.285 -9.713 -0.126 442 HB1 ALA 61 HB1 ALA 61 10.888 -11.102 0.947 443 HB2 ALA 61 HB2 ALA 61 10.025 -12.566 0.477 444 HB3 ALA 61 HB3 ALA 61 9.320 -11.470 1.666 445 H LYS 62 HN LYS 62 8.627 -12.497 -2.099 446 HA LYS 62 HA LYS 62 11.057 -12.378 -3.609 447 HB2 LYS 62 HB2 LYS 62 9.910 -14.467 -3.400 448 HB3 LYS 62 HB1 LYS 62 8.434 -13.775 -4.037 449 HG2 LYS 62 HG2 LYS 62 9.070 -14.669 -5.977 450 HG3 LYS 62 HG1 LYS 62 10.200 -13.317 -6.069 451 HD2 LYS 62 HD2 LYS 62 11.362 -15.406 -6.482 452 HD3 LYS 62 HD1 LYS 62 11.913 -14.692 -4.966 453 HE2 LYS 62 HE2 LYS 62 11.552 -17.134 -4.816 454 HE3 LYS 62 HE1 LYS 62 10.548 -16.214 -3.693 455 HZ1 LYS 62 HZ1 LYS 62 9.679 -17.376 -6.288 456 HZ2 LYS 62 HZ2 LYS 62 8.707 -16.428 -5.281 457 HZ3 LYS 62 HZ3 LYS 62 9.257 -17.935 -4.748 458 H GLY 63 HN GLY 63 7.899 -10.959 -3.829 459 HA2 GLY 63 HA2 GLY 63 8.630 -9.629 -6.355 460 HA3 GLY 63 HA1 GLY 63 6.979 -9.997 -5.880 461 H ILE 64 HN ILE 64 9.795 -8.383 -4.464 462 HA ILE 64 HA ILE 64 7.962 -6.327 -3.483 463 HB ILE 64 HB ILE 64 10.584 -7.297 -2.393 464 HG12 ILE 64 HG12 ILE 64 8.986 -8.725 -1.604 465 HG13 ILE 64 HG11 ILE 64 8.894 -7.473 -0.372 466 HG21 ILE 64 HG21 ILE 64 10.681 -4.962 -2.023 467 HG22 ILE 64 HG22 ILE 64 10.133 -5.701 -0.513 468 HG23 ILE 64 HG23 ILE 64 8.975 -4.896 -1.576 469 HD11 ILE 64 HD11 ILE 64 6.680 -7.910 -0.891 470 HD12 ILE 64 HD12 ILE 64 7.008 -8.055 -2.624 471 HD13 ILE 64 HD13 ILE 64 7.040 -6.465 -1.842 472 H LEU 65 HN LEU 65 8.282 -4.293 -3.579 473 HA LEU 65 HA LEU 65 8.868 -2.969 -5.735 474 HB2 LEU 65 HB2 LEU 65 9.813 -1.169 -3.974 475 HB3 LEU 65 HB1 LEU 65 8.113 -1.495 -4.247 476 HG LEU 65 HG LEU 65 8.475 -3.266 -2.365 477 HD11 LEU 65 HD11 LEU 65 10.887 -3.036 -2.241 478 HD12 LEU 65 HD12 LEU 65 10.152 -2.522 -0.720 479 HD13 LEU 65 HD13 LEU 65 10.721 -1.317 -1.879 480 HD21 LEU 65 HD21 LEU 65 7.465 -1.799 -0.939 481 HD22 LEU 65 HD22 LEU 65 7.251 -0.927 -2.463 482 HD23 LEU 65 HD23 LEU 65 8.556 -0.477 -1.360 483 H GLU 66 HN GLU 66 10.467 -1.951 -6.800 484 HA GLU 66 HA GLU 66 13.178 -1.882 -5.846 485 HB2 GLU 66 HB2 GLU 66 12.304 -4.003 -7.697 486 HB3 GLU 66 HB1 GLU 66 13.731 -3.115 -8.216 487 HG2 GLU 66 HG2 GLU 66 13.480 -4.300 -5.468 488 HG3 GLU 66 HG1 GLU 66 14.124 -5.204 -6.843 489 H GLY 67 HN GLY 67 13.745 0.100 -6.398 490 HA2 GLY 67 HA2 GLY 67 14.112 1.958 -7.745 491 HA3 GLY 67 HA1 GLY 67 13.447 1.050 -9.107 492 H LYS 68 HN LYS 68 11.364 0.557 -6.746 493 HA LYS 68 HA LYS 68 9.764 2.991 -7.025 494 HB2 LYS 68 HB2 LYS 68 8.008 1.971 -8.077 495 HB3 LYS 68 HB1 LYS 68 9.244 0.842 -8.628 496 HG2 LYS 68 HG2 LYS 68 8.731 -0.667 -6.807 497 HG3 LYS 68 HG1 LYS 68 7.547 0.468 -6.164 498 HD2 LYS 68 HD2 LYS 68 6.111 0.153 -8.026 499 HD3 LYS 68 HD1 LYS 68 7.355 -0.739 -8.913 500 HE2 LYS 68 HE2 LYS 68 7.311 -2.429 -7.043 501 HE3 LYS 68 HE1 LYS 68 5.872 -1.600 -6.433 502 HZ1 LYS 68 HZ1 LYS 68 4.751 -2.065 -8.514 503 HZ2 LYS 68 HZ2 LYS 68 5.304 -3.505 -7.821 504 HZ3 LYS 68 HZ3 LYS 68 6.131 -2.825 -9.130 505 H PHE 69 HN PHE 69 8.711 3.454 -5.097 506 HA PHE 69 HA PHE 69 8.647 1.278 -3.108 507 HB2 PHE 69 HB2 PHE 69 8.703 4.146 -2.256 508 HB3 PHE 69 HB1 PHE 69 9.254 2.710 -1.394 509 HD1 PHE 69 HD2 PHE 69 11.101 1.401 -3.081 510 HD2 PHE 69 HD1 PHE 69 10.434 5.571 -2.638 511 HE1 PHE 69 HE2 PHE 69 13.395 1.842 -3.850 512 HE2 PHE 69 HE1 PHE 69 12.725 6.027 -3.414 513 HZ PHE 69 HZ PHE 69 14.207 4.156 -4.021 514 H THR 70 HN THR 70 6.629 0.642 -2.647 515 HA THR 70 HA THR 70 4.487 2.642 -2.582 516 HB THR 70 HB THR 70 4.010 0.097 -4.108 517 HG1 THR 70 HG1 THR 70 4.727 1.041 -5.945 518 HG21 THR 70 HG21 THR 70 2.283 1.619 -5.211 519 HG22 THR 70 HG22 THR 70 2.665 2.818 -3.979 520 HG23 THR 70 HG23 THR 70 1.992 1.254 -3.512 521 H LEU 71 HN LEU 71 2.808 2.182 -1.260 522 HA LEU 71 HA LEU 71 2.759 -0.454 0.037 523 HB2 LEU 71 HB2 LEU 71 2.321 2.254 1.271 524 HB3 LEU 71 HB1 LEU 71 1.833 0.762 2.042 525 HG LEU 71 HG LEU 71 4.535 1.902 1.662 526 HD11 LEU 71 HD11 LEU 71 3.086 0.466 3.864 527 HD12 LEU 71 HD12 LEU 71 3.532 2.171 3.794 528 HD13 LEU 71 HD13 LEU 71 4.782 0.937 3.954 529 HD21 LEU 71 HD21 LEU 71 5.415 -0.434 2.307 530 HD22 LEU 71 HD22 LEU 71 5.054 -0.101 0.614 531 HD23 LEU 71 HD23 LEU 71 3.913 -1.022 1.593 532 H LYS 72 HN LYS 72 0.682 -1.200 0.677 533 HA LYS 72 HA LYS 72 -1.515 0.172 -0.725 534 HB2 LYS 72 HB2 LYS 72 -1.157 -1.925 -1.806 535 HB3 LYS 72 HB1 LYS 72 -1.017 -2.772 -0.271 536 HG2 LYS 72 HG2 LYS 72 -3.557 -1.517 -0.327 537 HG3 LYS 72 HG1 LYS 72 -3.327 -2.344 -1.867 538 HD2 LYS 72 HD2 LYS 72 -4.359 -3.879 -0.341 539 HD3 LYS 72 HD1 LYS 72 -2.693 -4.396 -0.597 540 HE2 LYS 72 HE2 LYS 72 -3.444 -2.648 1.722 541 HE3 LYS 72 HE1 LYS 72 -3.628 -4.399 1.801 542 HZ1 LYS 72 HZ1 LYS 72 -1.519 -3.798 2.712 543 HZ2 LYS 72 HZ2 LYS 72 -1.110 -2.895 1.343 544 HZ3 LYS 72 HZ3 LYS 72 -1.241 -4.577 1.236 545 H ALA 73 HN ALA 73 -3.380 0.497 0.274 546 HA ALA 73 HA ALA 73 -3.506 -0.175 3.135 547 HB1 ALA 73 HB1 ALA 73 -3.211 2.257 2.409 548 HB2 ALA 73 HB2 ALA 73 -4.532 1.914 3.540 549 HB3 ALA 73 HB3 ALA 73 -4.871 2.163 1.825 550 H VAL 74 HN VAL 74 -5.545 -0.771 3.965 551 HA VAL 74 HA VAL 74 -7.658 -1.288 2.001 552 HB VAL 74 HB VAL 74 -6.462 -3.255 3.929 553 HG11 VAL 74 HG11 VAL 74 -8.739 -3.565 4.364 554 HG12 VAL 74 HG12 VAL 74 -8.411 -4.735 3.085 555 HG13 VAL 74 HG13 VAL 74 -9.201 -3.207 2.701 556 HG21 VAL 74 HG21 VAL 74 -6.068 -4.585 2.039 557 HG22 VAL 74 HG22 VAL 74 -5.651 -2.946 1.528 558 HG23 VAL 74 HG23 VAL 74 -7.194 -3.656 1.043 559 H ALA 75 HN ALA 75 -9.647 -0.834 2.675 560 HA ALA 75 HA ALA 75 -10.160 0.772 4.839 561 HB1 ALA 75 HB1 ALA 75 -11.974 -1.052 3.290 562 HB2 ALA 75 HB2 ALA 75 -11.739 0.690 3.100 563 HB3 ALA 75 HB3 ALA 75 -12.562 0.063 4.526 564 H LEU 76 HN LEU 76 -10.399 0.508 6.924 565 HA LEU 76 HA LEU 76 -9.965 -1.938 8.232 566 HB2 LEU 76 HB2 LEU 76 -11.258 0.566 9.319 567 HB3 LEU 76 HB1 LEU 76 -10.481 -0.700 10.260 568 HG LEU 76 HG LEU 76 -9.022 0.952 8.210 569 HD11 LEU 76 HD11 LEU 76 -9.211 1.417 11.180 570 HD12 LEU 76 HD12 LEU 76 -9.817 2.476 9.903 571 HD13 LEU 76 HD13 LEU 76 -8.080 2.219 10.086 572 HD21 LEU 76 HD21 LEU 76 -7.037 0.147 9.388 573 HD22 LEU 76 HD22 LEU 76 -8.002 -1.187 8.753 574 HD23 LEU 76 HD23 LEU 76 -8.064 -0.794 10.471 575 H ASP 77 HN ASP 77 -12.770 -0.106 7.320 576 HA ASP 77 HA ASP 77 -14.596 -2.183 8.294 577 HB2 ASP 77 HB2 ASP 77 -15.409 0.402 6.962 578 HB3 ASP 77 HB1 ASP 77 -16.375 -0.636 8.004 579 H ARG 78 HN ARG 78 -12.755 -2.477 5.985 580 HA ARG 78 HA ARG 78 -13.853 -2.169 3.519 581 HB2 ARG 78 HB2 ARG 78 -12.433 -3.859 2.734 582 HB3 ARG 78 HB1 ARG 78 -11.597 -2.988 4.001 583 HG2 ARG 78 HG2 ARG 78 -11.534 -4.783 5.380 584 HG3 ARG 78 HG1 ARG 78 -13.072 -5.431 4.777 585 HD2 ARG 78 HD2 ARG 78 -11.884 -5.817 2.601 586 HD3 ARG 78 HD1 ARG 78 -10.384 -5.499 3.466 587 HE ARG 78 HE ARG 78 -11.640 -7.432 4.944 588 HH11 ARG 78 HH11 ARG 78 -10.603 -7.145 1.629 589 HH12 ARG 78 HH12 ARG 78 -10.304 -8.840 1.441 590 HH21 ARG 78 HH21 ARG 78 -11.249 -9.665 4.705 591 HH22 ARG 78 HH22 ARG 78 -10.673 -10.273 3.188 592 H GLU 79 HN GLU 79 -14.940 -4.405 5.943 593 HA GLU 79 HA GLU 79 -16.247 -6.305 4.391 594 HB2 GLU 79 HB2 GLU 79 -17.492 -5.042 6.831 595 HB3 GLU 79 HB1 GLU 79 -17.670 -6.698 6.264 596 HG2 GLU 79 HG2 GLU 79 -15.354 -7.159 6.838 597 HG3 GLU 79 HG1 GLU 79 -15.143 -5.489 7.362 598 H ALA 80 HN ALA 80 -16.804 -3.020 4.948 599 HA ALA 80 HA ALA 80 -19.323 -2.958 3.476 600 HB1 ALA 80 HB1 ALA 80 -18.017 -1.096 5.444 601 HB2 ALA 80 HB2 ALA 80 -19.582 -1.911 5.568 602 HB3 ALA 80 HB3 ALA 80 -19.369 -0.582 4.427 603 H GLU 81 HN GLU 81 -15.980 -2.058 3.381 604 HA GLU 81 HA GLU 81 -16.412 -0.602 0.847 605 HB2 GLU 81 HB2 GLU 81 -14.023 0.062 2.462 606 HB3 GLU 81 HB1 GLU 81 -15.038 1.095 1.466 607 HG2 GLU 81 HG2 GLU 81 -16.722 1.172 3.194 608 HG3 GLU 81 HG1 GLU 81 -15.792 0.047 4.183 609 HA PRO 82 HA PRO 82 -13.654 -4.108 -0.220 610 HB2 PRO 82 HB2 PRO 82 -14.284 -4.165 -2.850 611 HB3 PRO 82 HB1 PRO 82 -15.342 -4.866 -1.615 612 HG2 PRO 82 HG2 PRO 82 -15.518 -2.171 -2.939 613 HG3 PRO 82 HG1 PRO 82 -16.803 -3.370 -2.676 614 HD2 PRO 82 HD2 PRO 82 -16.478 -1.238 -1.061 615 HD3 PRO 82 HD1 PRO 82 -17.033 -2.810 -0.442 616 H ARG 83 HN ARG 83 -13.862 -0.875 -1.372 617 HA ARG 83 HA ARG 83 -11.844 -0.787 -3.275 618 HB2 ARG 83 HB2 ARG 83 -13.019 1.245 -1.433 619 HB3 ARG 83 HB1 ARG 83 -11.637 1.663 -2.438 620 HG2 ARG 83 HG2 ARG 83 -12.869 1.084 -4.435 621 HG3 ARG 83 HG1 ARG 83 -14.243 0.559 -3.462 622 HD2 ARG 83 HD2 ARG 83 -14.752 2.731 -2.791 623 HD3 ARG 83 HD1 ARG 83 -13.157 3.343 -3.251 624 HE ARG 83 HE ARG 83 -15.353 2.683 -5.092 625 HH11 ARG 83 HH11 ARG 83 -12.244 4.126 -4.473 626 HH12 ARG 83 HH12 ARG 83 -12.184 4.961 -5.989 627 HH21 ARG 83 HH21 ARG 83 -15.283 3.777 -7.093 628 HH22 ARG 83 HH22 ARG 83 -13.911 4.763 -7.477 629 H VAL 84 HN VAL 84 -9.726 -0.402 -3.291 630 HA VAL 84 HA VAL 84 -8.252 -0.428 -0.737 631 HB VAL 84 HB VAL 84 -6.790 -1.618 -2.959 632 HG11 VAL 84 HG11 VAL 84 -7.138 -3.466 -0.900 633 HG12 VAL 84 HG12 VAL 84 -7.044 -1.878 -0.135 634 HG13 VAL 84 HG13 VAL 84 -5.747 -2.422 -1.199 635 HG21 VAL 84 HG21 VAL 84 -9.172 -3.176 -1.995 636 HG22 VAL 84 HG22 VAL 84 -7.992 -3.663 -3.214 637 HG23 VAL 84 HG23 VAL 84 -9.114 -2.342 -3.548 638 H LEU 85 HN LEU 85 -6.013 0.558 -0.981 639 HA LEU 85 HA LEU 85 -5.778 2.256 -3.360 640 HB2 LEU 85 HB2 LEU 85 -6.880 3.522 -1.473 641 HB3 LEU 85 HB1 LEU 85 -5.372 3.383 -0.598 642 HG LEU 85 HG LEU 85 -4.313 4.521 -2.662 643 HD11 LEU 85 HD11 LEU 85 -6.066 4.392 -4.247 644 HD12 LEU 85 HD12 LEU 85 -5.927 6.090 -3.786 645 HD13 LEU 85 HD13 LEU 85 -7.238 5.102 -3.124 646 HD21 LEU 85 HD21 LEU 85 -4.359 5.666 -0.594 647 HD22 LEU 85 HD22 LEU 85 -6.100 5.929 -0.690 648 HD23 LEU 85 HD23 LEU 85 -5.015 6.782 -1.792 649 H ARG 86 HN ARG 86 -3.683 3.269 -3.576 650 HA ARG 86 HA ARG 86 -1.469 2.173 -2.046 651 HB2 ARG 86 HB2 ARG 86 -0.768 0.683 -3.576 652 HB3 ARG 86 HB1 ARG 86 -2.198 0.997 -4.522 653 HG2 ARG 86 HG2 ARG 86 -1.060 2.725 -5.755 654 HG3 ARG 86 HG1 ARG 86 0.368 2.537 -4.741 655 HD2 ARG 86 HD2 ARG 86 0.659 0.255 -5.544 656 HD3 ARG 86 HD1 ARG 86 -0.797 0.402 -6.527 657 HE ARG 86 HE ARG 86 0.949 2.462 -7.243 658 HH11 ARG 86 HH11 ARG 86 0.756 -1.013 -7.411 659 HH12 ARG 86 HH12 ARG 86 1.732 -1.125 -8.838 660 HH21 ARG 86 HH21 ARG 86 2.234 2.324 -9.119 661 HH22 ARG 86 HH22 ARG 86 2.574 0.770 -9.808 662 H LEU 87 HN LEU 87 0.393 3.448 -2.202 663 HA LEU 87 HA LEU 87 0.410 5.656 -4.081 664 HB2 LEU 87 HB2 LEU 87 -0.856 6.429 -2.030 665 HB3 LEU 87 HB1 LEU 87 0.628 6.208 -1.132 666 HG LEU 87 HG LEU 87 1.702 8.004 -2.151 667 HD11 LEU 87 HD11 LEU 87 -0.269 7.555 -4.338 668 HD12 LEU 87 HD12 LEU 87 1.476 7.806 -4.425 669 HD13 LEU 87 HD13 LEU 87 0.400 9.172 -4.120 670 HD21 LEU 87 HD21 LEU 87 -0.144 8.625 -0.618 671 HD22 LEU 87 HD22 LEU 87 -1.195 8.830 -2.020 672 HD23 LEU 87 HD23 LEU 87 0.220 9.865 -1.819 673 H ASN 88 HN ASN 88 2.387 5.874 -4.848 674 HA ASN 88 HA ASN 88 4.555 4.546 -3.394 675 HB2 ASN 88 HB2 ASN 88 5.771 4.563 -5.538 676 HB3 ASN 88 HB1 ASN 88 4.199 3.786 -5.677 677 HD21 ASN 88 HD21 ASN 88 4.077 4.106 -7.872 678 HD22 ASN 88 HD22 ASN 88 3.810 5.662 -8.574 679 H GLU 89 HN GLU 89 6.819 5.596 -4.077 680 HA GLU 89 HA GLU 89 7.056 7.980 -2.604 681 HB2 GLU 89 HB2 GLU 89 9.361 7.965 -3.221 682 HB3 GLU 89 HB1 GLU 89 8.868 6.292 -3.012 683 HG2 GLU 89 HG2 GLU 89 10.002 6.055 -4.947 684 HG3 GLU 89 HG1 GLU 89 8.442 6.511 -5.630 685 H SER 90 HN SER 90 6.334 7.386 -5.915 686 HA SER 90 HA SER 90 7.027 10.047 -6.822 687 HB2 SER 90 HB2 SER 90 5.550 7.798 -8.222 688 HB3 SER 90 HB1 SER 90 6.052 9.307 -8.982 689 HG SER 90 HG SER 90 7.660 7.908 -9.431 690 H LEU 91 HN LEU 91 4.852 9.050 -4.821 691 HA LEU 91 HA LEU 91 2.844 9.710 -4.084 692 HB2 LEU 91 HB2 LEU 91 3.804 12.079 -5.593 693 HB3 LEU 91 HB1 LEU 91 2.256 12.105 -4.764 694 HG LEU 91 HG LEU 91 4.684 12.771 -3.673 695 HD11 LEU 91 HD11 LEU 91 2.467 13.463 -2.901 696 HD12 LEU 91 HD12 LEU 91 3.488 12.914 -1.573 697 HD13 LEU 91 HD13 LEU 91 2.224 11.860 -2.206 698 HD21 LEU 91 HD21 LEU 91 5.253 11.147 -1.994 699 HD22 LEU 91 HD22 LEU 91 5.332 10.380 -3.581 700 HD23 LEU 91 HD23 LEU 91 3.947 10.088 -2.528 701 H THR 92 HN THR 92 2.964 8.191 -6.527 702 HA THR 92 HA THR 92 0.556 9.063 -7.954 703 HB THR 92 HB THR 92 2.581 6.906 -8.567 704 HG1 THR 92 HG1 THR 92 2.291 9.525 -9.287 705 HG21 THR 92 HG21 THR 92 0.380 6.137 -9.258 706 HG22 THR 92 HG22 THR 92 1.341 6.565 -10.674 707 HG23 THR 92 HG23 THR 92 0.088 7.662 -10.096 708 H ALA 93 HN ALA 93 -1.301 8.300 -7.130 709 HA ALA 93 HA ALA 93 -1.213 5.744 -5.678 710 HB1 ALA 93 HB1 ALA 93 -2.961 6.452 -4.348 711 HB2 ALA 93 HB2 ALA 93 -3.510 7.641 -5.527 712 HB3 ALA 93 HB3 ALA 93 -2.043 7.940 -4.590 713 H VAL 94 HN VAL 94 -2.833 4.267 -5.857 714 HA VAL 94 HA VAL 94 -4.741 4.551 -8.045 715 HB VAL 94 HB VAL 94 -2.790 3.352 -9.037 716 HG11 VAL 94 HG11 VAL 94 -2.290 2.201 -6.765 717 HG12 VAL 94 HG12 VAL 94 -2.004 1.310 -8.258 718 HG13 VAL 94 HG13 VAL 94 -3.457 0.998 -7.310 719 HG21 VAL 94 HG21 VAL 94 -4.890 2.931 -10.045 720 HG22 VAL 94 HG22 VAL 94 -5.408 1.896 -8.710 721 HG23 VAL 94 HG23 VAL 94 -4.148 1.345 -9.818 722 H VAL 95 HN VAL 95 -6.612 3.853 -7.588 723 HA VAL 95 HA VAL 95 -7.005 2.400 -5.082 724 HB VAL 95 HB VAL 95 -8.126 4.495 -5.087 725 HG11 VAL 95 HG11 VAL 95 -7.970 4.798 -7.546 726 HG12 VAL 95 HG12 VAL 95 -9.557 5.233 -6.886 727 HG13 VAL 95 HG13 VAL 95 -9.349 3.699 -7.732 728 HG21 VAL 95 HG21 VAL 95 -10.204 2.432 -5.833 729 HG22 VAL 95 HG22 VAL 95 -10.438 3.858 -4.824 730 HG23 VAL 95 HG23 VAL 95 -9.427 2.529 -4.253 731 H CYS 96 HN CYS 96 -8.365 0.672 -4.962 732 HA CYS 96 HA CYS 96 -9.244 -0.515 -7.493 733 HB2 CYS 96 HB2 CYS 96 -8.011 -1.796 -5.060 734 HB3 CYS 96 HB1 CYS 96 -9.009 -2.722 -6.173 735 H GLY 97 HN GLY 97 -11.099 -1.957 -7.236 736 HA2 GLY 97 HA2 GLY 97 -12.899 -0.920 -5.146 737 HA3 GLY 97 HA1 GLY 97 -13.424 -1.361 -6.768 738 H LYS 98 HN LYS 98 -11.089 -3.446 -5.973 739 HA LYS 98 HA LYS 98 -12.627 -5.304 -4.387 740 HB2 LYS 98 HB2 LYS 98 -13.133 -5.384 -7.006 741 HB3 LYS 98 HB1 LYS 98 -11.688 -6.366 -6.992 742 HG2 LYS 98 HG2 LYS 98 -14.225 -6.856 -5.458 743 HG3 LYS 98 HG1 LYS 98 -13.632 -7.765 -6.857 744 HD2 LYS 98 HD2 LYS 98 -12.744 -9.160 -5.332 745 HD3 LYS 98 HD1 LYS 98 -11.522 -7.904 -5.110 746 HE2 LYS 98 HE2 LYS 98 -12.333 -8.470 -2.949 747 HE3 LYS 98 HE1 LYS 98 -13.008 -6.895 -3.369 748 HZ1 LYS 98 HZ1 LYS 98 -14.423 -9.499 -3.560 749 HZ2 LYS 98 HZ2 LYS 98 -15.071 -8.000 -3.999 750 HZ3 LYS 98 HZ3 LYS 98 -14.682 -8.311 -2.383 751 H MET 99 HN MET 99 -11.272 -6.296 -3.074 752 HA MET 99 HA MET 99 -8.459 -6.583 -3.901 753 HB2 MET 99 HB2 MET 99 -9.196 -5.031 -1.890 754 HB3 MET 99 HB1 MET 99 -9.220 -6.543 -1.023 755 HG2 MET 99 HG2 MET 99 -6.824 -6.596 -2.398 756 HG3 MET 99 HG1 MET 99 -6.976 -4.926 -1.846 757 HE1 MET 99 HE1 MET 99 -7.532 -8.510 -0.931 758 HE2 MET 99 HE2 MET 99 -8.743 -7.785 0.129 759 HE3 MET 99 HE3 MET 99 -7.333 -8.600 0.825 760 H LYS 100 HN LYS 100 -8.154 -8.602 -4.491 761 HA LYS 100 HA LYS 100 -9.734 -10.757 -3.419 762 HB2 LYS 100 HB2 LYS 100 -7.382 -10.868 -5.315 763 HB3 LYS 100 HB1 LYS 100 -8.511 -12.174 -4.984 764 HG2 LYS 100 HG2 LYS 100 -10.331 -10.843 -5.921 765 HG3 LYS 100 HG1 LYS 100 -9.197 -9.530 -6.250 766 HD2 LYS 100 HD2 LYS 100 -7.937 -10.988 -7.752 767 HD3 LYS 100 HD1 LYS 100 -9.048 -12.316 -7.407 768 HE2 LYS 100 HE2 LYS 100 -10.886 -11.056 -8.374 769 HE3 LYS 100 HE1 LYS 100 -9.819 -9.682 -8.661 770 HZ1 LYS 100 HZ1 LYS 100 -8.525 -11.053 -10.175 771 HZ2 LYS 100 HZ2 LYS 100 -10.141 -10.981 -10.667 772 HZ3 LYS 100 HZ3 LYS 100 -9.553 -12.369 -9.899 773 H GLY 101 HN GLY 101 -6.195 -10.758 -3.823 774 HA2 GLY 101 HA2 GLY 101 -5.990 -12.357 -1.380 775 HA3 GLY 101 HA1 GLY 101 -4.718 -12.109 -2.567 776 H LYS 102 HN LYS 102 -3.053 -11.145 -1.607 777 HA LYS 102 HA LYS 102 -1.820 -9.597 -0.468 778 HB2 LYS 102 HB2 LYS 102 -4.345 -8.021 -0.697 779 HB3 LYS 102 HB1 LYS 102 -2.823 -7.354 -0.155 780 HG2 LYS 102 HG2 LYS 102 -2.016 -7.202 -2.240 781 HG3 LYS 102 HG1 LYS 102 -2.704 -8.747 -2.728 782 HD2 LYS 102 HD2 LYS 102 -4.484 -6.388 -2.299 783 HD3 LYS 102 HD1 LYS 102 -3.567 -6.543 -3.804 784 HE2 LYS 102 HE2 LYS 102 -4.558 -8.805 -4.098 785 HE3 LYS 102 HE1 LYS 102 -5.551 -8.516 -2.670 786 HZ1 LYS 102 HZ1 LYS 102 -5.656 -7.124 -5.277 787 HZ2 LYS 102 HZ2 LYS 102 -6.377 -6.480 -3.890 788 HZ3 LYS 102 HZ3 LYS 102 -6.892 -7.974 -4.493 789 H GLY 103 HN GLY 103 -2.977 -7.665 1.453 790 HA2 GLY 103 HA2 GLY 103 -3.980 -9.445 3.568 791 HA3 GLY 103 HA1 GLY 103 -2.535 -8.485 3.864 792 H SER 104 HN SER 104 -5.201 -8.425 5.167 793 HA SER 104 HA SER 104 -5.614 -5.555 4.948 794 HB2 SER 104 HB2 SER 104 -7.836 -7.560 4.674 795 HB3 SER 104 HB1 SER 104 -8.036 -5.819 4.763 796 HG SER 104 HG SER 104 -7.717 -7.202 2.606 797 H CYS 105 HN CYS 105 -6.371 -4.584 6.800 798 HA CYS 105 HA CYS 105 -5.932 -5.866 9.255 799 HB2 CYS 105 HB2 CYS 105 -6.869 -3.244 8.368 800 HB3 CYS 105 HB1 CYS 105 -7.620 -3.760 9.869 801 H THR 106 HN THR 106 -7.895 -5.543 10.984 802 HA THR 106 HA THR 106 -9.645 -6.735 11.840 803 HB THR 106 HB THR 106 -10.816 -4.809 10.866 804 HG1 THR 106 HG1 THR 106 -11.884 -6.908 11.737 805 HG21 THR 106 HG21 THR 106 -12.047 -5.111 8.712 806 HG22 THR 106 HG22 THR 106 -11.101 -6.571 8.432 807 HG23 THR 106 HG23 THR 106 -10.296 -5.004 8.529 808 H ASP 107 HN ASP 107 -7.870 -8.154 9.893 809 HA ASP 107 HA ASP 107 -9.361 -10.596 9.756 810 HB2 ASP 107 HB2 ASP 107 -8.698 -9.086 7.232 811 HB3 ASP 107 HB1 ASP 107 -8.875 -10.837 7.237 812 H GLY 108 HN GLY 108 -6.491 -8.744 8.937 813 HA2 GLY 108 HA2 GLY 108 -4.472 -9.868 10.060 814 HA3 GLY 108 HA1 GLY 108 -4.878 -11.209 8.999 815 H GLU 109 HN GLU 109 -4.078 -7.746 8.942 816 HA GLU 109 HA GLU 109 -3.367 -7.746 6.181 817 HB2 GLU 109 HB2 GLU 109 -2.393 -5.494 6.720 818 HB3 GLU 109 HB1 GLU 109 -4.099 -5.686 7.102 819 HG2 GLU 109 HG2 GLU 109 -3.746 -5.646 9.351 820 HG3 GLU 109 HG1 GLU 109 -2.099 -6.254 9.212 821 H GLU 110 HN GLU 110 -1.484 -8.251 5.235 822 HA GLU 110 HA GLU 110 0.919 -8.384 6.885 823 HB2 GLU 110 HB2 GLU 110 -0.423 -10.554 5.834 824 HB3 GLU 110 HB1 GLU 110 0.919 -10.294 4.730 825 HG2 GLU 110 HG2 GLU 110 2.482 -10.397 6.547 826 HG3 GLU 110 HG1 GLU 110 1.157 -10.547 7.701 827 H ILE 111 HN ILE 111 -0.053 -8.688 3.464 828 HA ILE 111 HA ILE 111 1.647 -6.470 2.738 829 HB ILE 111 HB ILE 111 2.857 -7.832 1.003 830 HG12 ILE 111 HG12 ILE 111 3.166 -10.273 1.790 831 HG13 ILE 111 HG11 ILE 111 1.645 -10.034 2.648 832 HG21 ILE 111 HG21 ILE 111 4.657 -8.312 2.441 833 HG22 ILE 111 HG22 ILE 111 3.584 -8.597 3.816 834 HG23 ILE 111 HG23 ILE 111 3.798 -6.959 3.184 835 HD11 ILE 111 HD11 ILE 111 0.591 -10.562 0.792 836 HD12 ILE 111 HD12 ILE 111 2.118 -10.628 -0.098 837 HD13 ILE 111 HD13 ILE 111 1.242 -9.103 0.046 838 H PHE 112 HN PHE 112 1.774 -6.422 0.182 839 HA PHE 112 HA PHE 112 -1.003 -6.671 -0.748 840 HB2 PHE 112 HB2 PHE 112 -0.336 -4.403 -0.658 841 HB3 PHE 112 HB1 PHE 112 1.213 -4.737 -1.408 842 HD1 PHE 112 HD2 PHE 112 -2.423 -5.076 -2.204 843 HD2 PHE 112 HD1 PHE 112 1.474 -4.075 -3.578 844 HE1 PHE 112 HE2 PHE 112 -3.361 -4.438 -4.384 845 HE2 PHE 112 HE1 PHE 112 0.542 -3.430 -5.759 846 HZ PHE 112 HZ PHE 112 -1.878 -3.613 -6.168 847 H ARG 113 HN ARG 113 -0.357 -8.998 -1.237 848 HA ARG 113 HA ARG 113 0.859 -9.126 -3.917 849 HB2 ARG 113 HB2 ARG 113 1.832 -11.202 -3.443 850 HB3 ARG 113 HB1 ARG 113 2.090 -10.281 -1.976 851 HG2 ARG 113 HG2 ARG 113 0.168 -11.372 -0.944 852 HG3 ARG 113 HG1 ARG 113 -0.081 -12.317 -2.417 853 HD2 ARG 113 HD2 ARG 113 2.513 -12.330 -0.929 854 HD3 ARG 113 HD1 ARG 113 1.192 -13.410 -0.494 855 HE ARG 113 HE ARG 113 1.781 -13.573 -3.268 856 HH11 ARG 113 HH11 ARG 113 2.935 -14.579 -0.137 857 HH12 ARG 113 HH12 ARG 113 3.715 -16.003 -0.740 858 HH21 ARG 113 HH21 ARG 113 2.800 -15.446 -4.069 859 HH22 ARG 113 HH22 ARG 113 3.637 -16.497 -2.975 860 H GLY 114 HN GLY 114 -0.187 -10.337 -5.508 861 HA2 GLY 114 HA2 GLY 114 -1.830 -12.223 -5.821 862 HA3 GLY 114 HA1 GLY 114 -2.856 -11.325 -4.717 863 H ASN 115 HN ASN 115 -4.513 -10.535 -5.796 864 HA ASN 115 HA ASN 115 -4.017 -8.903 -8.151 865 HB2 ASN 115 HB2 ASN 115 -5.541 -11.467 -8.141 866 HB3 ASN 115 HB1 ASN 115 -6.123 -10.153 -9.155 867 HD21 ASN 115 HD21 ASN 115 -3.461 -9.106 -9.669 868 HD22 ASN 115 HD22 ASN 115 -2.713 -10.202 -10.774 869 H ASP 116 HN ASP 116 -5.427 -7.264 -8.430 870 HA ASP 116 HA ASP 116 -7.741 -7.141 -6.613 871 HB2 ASP 116 HB2 ASP 116 -7.027 -4.504 -7.177 872 HB3 ASP 116 HB1 ASP 116 -6.806 -5.340 -5.648 873 H ALA 117 HN ALA 117 -9.601 -6.154 -7.413 874 HA ALA 117 HA ALA 117 -9.617 -5.737 -10.336 875 HB1 ALA 117 HB1 ALA 117 -10.836 -7.773 -9.493 876 HB2 ALA 117 HB2 ALA 117 -11.807 -6.649 -10.443 877 HB3 ALA 117 HB3 ALA 117 -11.959 -6.675 -8.682 878 H GLU 118 HN GLU 118 -11.424 -4.371 -11.105 879 HA GLU 118 HA GLU 118 -12.412 -2.327 -11.212 880 HB2 GLU 118 HB2 GLU 118 -12.914 -3.117 -8.343 881 HB3 GLU 118 HB1 GLU 118 -13.604 -1.665 -9.062 882 HG2 GLU 118 HG2 GLU 118 -14.029 -4.453 -10.107 883 HG3 GLU 118 HG1 GLU 118 -15.135 -3.611 -9.025 884 H CYS 119 HN CYS 119 -9.837 -1.797 -11.293 885 HA CYS 119 HA CYS 119 -9.417 0.223 -9.179 886 HB2 CYS 119 HB2 CYS 119 -7.112 -0.960 -10.671 887 HB3 CYS 119 HB1 CYS 119 -7.140 -0.194 -9.094 888 H ARG 120 HN ARG 120 -8.625 2.162 -9.645 889 HA ARG 120 HA ARG 120 -7.968 2.914 -12.378 890 HB2 ARG 120 HB2 ARG 120 -9.517 4.648 -12.449 891 HB3 ARG 120 HB1 ARG 120 -10.430 3.330 -11.734 892 HG2 ARG 120 HG2 ARG 120 -10.963 4.717 -10.105 893 HG3 ARG 120 HG1 ARG 120 -9.286 4.595 -9.578 894 HD2 ARG 120 HD2 ARG 120 -9.680 6.898 -9.784 895 HD3 ARG 120 HD1 ARG 120 -8.782 6.439 -11.231 896 HE ARG 120 HE ARG 120 -11.621 6.377 -11.610 897 HH11 ARG 120 HH11 ARG 120 -8.800 8.426 -11.597 898 HH12 ARG 120 HH12 ARG 120 -9.495 9.605 -12.657 899 HH21 ARG 120 HH21 ARG 120 -12.541 7.928 -13.007 900 HH22 ARG 120 HH22 ARG 120 -11.619 9.323 -13.457 901 HA PRO 121 HA PRO 121 -4.848 5.306 -10.340 902 HB2 PRO 121 HB2 PRO 121 -4.595 7.496 -11.851 903 HB3 PRO 121 HB1 PRO 121 -4.134 5.895 -12.450 904 HG2 PRO 121 HG2 PRO 121 -6.693 7.390 -12.891 905 HG3 PRO 121 HG1 PRO 121 -5.652 6.600 -14.091 906 HD2 PRO 121 HD2 PRO 121 -7.845 5.382 -13.136 907 HD3 PRO 121 HD1 PRO 121 -6.359 4.474 -13.482 908 H PHE 122 HN PHE 122 -5.019 6.333 -8.467 909 HA PHE 122 HA PHE 122 -7.099 8.385 -8.148 910 HB2 PHE 122 HB2 PHE 122 -6.509 6.105 -6.629 911 HB3 PHE 122 HB1 PHE 122 -5.925 7.452 -5.673 912 HD1 PHE 122 HD2 PHE 122 -8.852 7.697 -7.922 913 HD2 PHE 122 HD1 PHE 122 -7.468 7.261 -3.926 914 HE1 PHE 122 HE2 PHE 122 -11.127 8.140 -7.090 915 HE2 PHE 122 HE1 PHE 122 -9.732 7.690 -3.084 916 HZ PHE 122 HZ PHE 122 -11.571 8.140 -4.666 917 H THR 123 HN THR 123 -6.639 10.359 -7.264 918 HA THR 123 HA THR 123 -3.815 10.913 -6.651 919 HB THR 123 HB THR 123 -4.082 13.157 -7.667 920 HG1 THR 123 HG1 THR 123 -6.155 13.652 -7.896 921 HG21 THR 123 HG21 THR 123 -4.669 10.903 -9.579 922 HG22 THR 123 HG22 THR 123 -3.080 11.292 -8.919 923 HG23 THR 123 HG23 THR 123 -3.904 12.444 -9.968 924 H GLY 124 HN GLY 124 -3.831 11.185 -4.522 925 HA2 GLY 124 HA2 GLY 124 -5.987 12.193 -3.012 926 HA3 GLY 124 HA1 GLY 124 -4.335 12.004 -2.449 Start of MODEL 10 1 H1 HIS 6 HT1 HIS 6 -20.172 7.486 -5.541 2 H2 HIS 6 HT2 HIS 6 -18.836 6.578 -6.044 3 H3 HIS 6 HT3 HIS 6 -18.892 7.200 -4.472 4 HA HIS 6 HA HIS 6 -20.775 5.802 -3.946 5 HB2 HIS 6 HB2 HIS 6 -20.326 4.711 -6.734 6 HB3 HIS 6 HB1 HIS 6 -21.436 4.038 -5.545 7 HD1 HIS 6 HD1 HIS 6 -23.771 4.817 -5.758 8 HD2 HIS 6 HD2 HIS 6 -21.085 7.537 -7.387 9 HE1 HIS 6 HE1 HIS 6 -25.185 6.635 -6.767 10 HE2 HIS 6 HE2 HIS 6 -23.537 8.315 -7.665 11 H ARG 7 HN ARG 7 -20.199 4.141 -2.666 12 HA ARG 7 HA ARG 7 -18.975 2.499 -1.691 13 HB2 ARG 7 HB2 ARG 7 -19.082 1.115 -3.554 14 HB3 ARG 7 HB1 ARG 7 -18.120 2.196 -4.547 15 HG2 ARG 7 HG2 ARG 7 -16.841 0.238 -4.091 16 HG3 ARG 7 HG1 ARG 7 -16.134 1.576 -3.188 17 HD2 ARG 7 HD2 ARG 7 -16.245 -0.471 -1.847 18 HD3 ARG 7 HD1 ARG 7 -17.229 0.814 -1.157 19 HE ARG 7 HE ARG 7 -19.010 -0.583 -1.355 20 HH11 ARG 7 HH11 ARG 7 -16.694 -1.455 -3.816 21 HH12 ARG 7 HH12 ARG 7 -17.635 -2.783 -4.407 22 HH21 ARG 7 HH21 ARG 7 -20.249 -2.328 -2.132 23 HH22 ARG 7 HH22 ARG 7 -19.653 -3.279 -3.451 24 H SER 8 HN SER 8 -17.558 5.229 -3.076 25 HA SER 8 HA SER 8 -14.864 5.020 -2.704 26 HB2 SER 8 HB2 SER 8 -14.886 7.464 -2.119 27 HB3 SER 8 HB1 SER 8 -15.811 7.064 -3.569 28 HG SER 8 HG SER 8 -17.202 8.283 -2.466 29 H ALA 9 HN ALA 9 -14.163 3.775 -1.062 30 HA ALA 9 HA ALA 9 -15.076 3.957 1.612 31 HB1 ALA 9 HB1 ALA 9 -13.286 2.435 2.133 32 HB2 ALA 9 HB2 ALA 9 -12.483 2.796 0.604 33 HB3 ALA 9 HB3 ALA 9 -14.032 1.946 0.607 34 H ASN 10 HN ASN 10 -12.846 4.030 3.189 35 HA ASN 10 HA ASN 10 -12.350 6.860 3.309 36 HB2 ASN 10 HB2 ASN 10 -11.394 4.579 5.048 37 HB3 ASN 10 HB1 ASN 10 -11.079 6.280 5.379 38 HD21 ASN 10 HD21 ASN 10 -12.184 6.248 7.313 39 HD22 ASN 10 HD22 ASN 10 -13.906 6.141 7.399 40 H LEU 11 HN LEU 11 -11.228 5.730 0.959 41 HA LEU 11 HA LEU 11 -8.513 5.079 1.135 42 HB2 LEU 11 HB2 LEU 11 -9.728 6.755 -1.048 43 HB3 LEU 11 HB1 LEU 11 -8.326 5.725 -1.148 44 HG LEU 11 HG LEU 11 -10.916 4.461 -0.495 45 HD11 LEU 11 HD11 LEU 11 -10.123 5.331 -3.261 46 HD12 LEU 11 HD12 LEU 11 -11.426 6.041 -2.300 47 HD13 LEU 11 HD13 LEU 11 -11.538 4.361 -2.835 48 HD21 LEU 11 HD21 LEU 11 -9.998 2.605 -1.645 49 HD22 LEU 11 HD22 LEU 11 -8.695 3.263 -0.654 50 HD23 LEU 11 HD23 LEU 11 -8.742 3.601 -2.384 51 H ARG 12 HN ARG 12 -10.181 8.028 1.491 52 HA ARG 12 HA ARG 12 -8.191 9.879 0.837 53 HB2 ARG 12 HB2 ARG 12 -9.951 10.690 3.038 54 HB3 ARG 12 HB1 ARG 12 -9.703 11.432 1.465 55 HG2 ARG 12 HG2 ARG 12 -11.510 9.108 2.101 56 HG3 ARG 12 HG1 ARG 12 -11.997 10.748 1.679 57 HD2 ARG 12 HD2 ARG 12 -10.471 8.870 -0.128 58 HD3 ARG 12 HD1 ARG 12 -12.213 9.147 -0.202 59 HE ARG 12 HE ARG 12 -10.664 11.557 -0.419 60 HH11 ARG 12 HH11 ARG 12 -11.995 8.853 -2.168 61 HH12 ARG 12 HH12 ARG 12 -12.017 9.683 -3.688 62 HH21 ARG 12 HH21 ARG 12 -10.691 12.657 -2.416 63 HH22 ARG 12 HH22 ARG 12 -11.279 11.845 -3.828 64 H ALA 13 HN ALA 13 -8.957 8.274 3.880 65 HA ALA 13 HA ALA 13 -7.003 9.629 5.428 66 HB1 ALA 13 HB1 ALA 13 -7.316 7.861 7.053 67 HB2 ALA 13 HB2 ALA 13 -8.139 6.869 5.848 68 HB3 ALA 13 HB3 ALA 13 -8.881 8.368 6.415 69 H ALA 14 HN ALA 14 -7.045 6.755 3.481 70 HA ALA 14 HA ALA 14 -4.457 5.813 4.184 71 HB1 ALA 14 HB1 ALA 14 -6.376 4.481 3.215 72 HB2 ALA 14 HB2 ALA 14 -4.793 4.197 2.483 73 HB3 ALA 14 HB3 ALA 14 -5.978 5.213 1.651 74 H HIS 15 HN HIS 15 -5.759 7.801 1.619 75 HA HIS 15 HA HIS 15 -3.666 7.967 -0.112 76 HB2 HIS 15 HB2 HIS 15 -6.002 9.536 0.566 77 HB3 HIS 15 HB1 HIS 15 -4.660 10.587 0.151 78 HD1 HIS 15 HD1 HIS 15 -3.398 9.657 -2.195 79 HD2 HIS 15 HD2 HIS 15 -7.431 8.849 -1.609 80 HE1 HIS 15 HE1 HIS 15 -4.326 9.169 -4.471 81 HE2 HIS 15 HE2 HIS 15 -6.796 8.962 -4.114 82 H ALA 16 HN ALA 16 -4.106 9.405 3.042 83 HA ALA 16 HA ALA 16 -1.679 10.979 2.875 84 HB1 ALA 16 HB1 ALA 16 -3.486 11.973 4.094 85 HB2 ALA 16 HB2 ALA 16 -2.207 11.565 5.241 86 HB3 ALA 16 HB3 ALA 16 -3.644 10.548 5.121 87 H ALA 17 HN ALA 17 -2.723 7.878 4.049 88 HA ALA 17 HA ALA 17 -0.512 7.427 5.796 89 HB1 ALA 17 HB1 ALA 17 -1.206 5.047 5.664 90 HB2 ALA 17 HB2 ALA 17 -2.455 5.537 4.510 91 HB3 ALA 17 HB3 ALA 17 -2.487 6.155 6.161 92 H LEU 18 HN LEU 18 -1.337 5.969 2.641 93 HA LEU 18 HA LEU 18 1.166 4.822 2.151 94 HB2 LEU 18 HB2 LEU 18 -0.839 5.901 0.158 95 HB3 LEU 18 HB1 LEU 18 0.496 4.838 -0.238 96 HG LEU 18 HG LEU 18 -1.047 3.222 -0.116 97 HD11 LEU 18 HD11 LEU 18 -0.891 3.729 2.841 98 HD12 LEU 18 HD12 LEU 18 0.252 2.774 1.895 99 HD13 LEU 18 HD13 LEU 18 -1.423 2.240 2.058 100 HD21 LEU 18 HD21 LEU 18 -3.244 3.543 0.557 101 HD22 LEU 18 HD22 LEU 18 -2.706 5.142 0.019 102 HD23 LEU 18 HD23 LEU 18 -2.796 4.770 1.745 103 H LEU 19 HN LEU 19 0.000 8.044 1.933 104 HA LEU 19 HA LEU 19 2.172 9.109 0.377 105 HB2 LEU 19 HB2 LEU 19 0.195 10.390 0.333 106 HB3 LEU 19 HB1 LEU 19 -0.038 10.263 2.060 107 HG LEU 19 HG LEU 19 0.662 12.530 1.028 108 HD11 LEU 19 HD11 LEU 19 0.498 12.007 3.427 109 HD12 LEU 19 HD12 LEU 19 1.808 13.132 3.059 110 HD13 LEU 19 HD13 LEU 19 2.166 11.438 3.392 111 HD21 LEU 19 HD21 LEU 19 2.615 11.364 -0.174 112 HD22 LEU 19 HD22 LEU 19 3.418 11.429 1.395 113 HD23 LEU 19 HD23 LEU 19 2.914 12.921 0.600 114 H GLU 20 HN GLU 20 1.221 9.016 3.756 115 HA GLU 20 HA GLU 20 3.397 10.236 4.956 116 HB2 GLU 20 HB2 GLU 20 1.366 9.647 6.184 117 HB3 GLU 20 HB1 GLU 20 1.709 7.941 5.949 118 HG2 GLU 20 HG2 GLU 20 2.426 8.250 8.091 119 HG3 GLU 20 HG1 GLU 20 3.921 8.482 7.184 120 H ASN 21 HN ASN 21 2.975 7.125 3.547 121 HA ASN 21 HA ASN 21 5.457 6.032 4.541 122 HB2 ASN 21 HB2 ASN 21 4.028 4.268 4.153 123 HB3 ASN 21 HB1 ASN 21 3.225 5.069 2.809 124 HD21 ASN 21 HD21 ASN 21 4.131 4.967 0.756 125 HD22 ASN 21 HD22 ASN 21 5.336 3.799 0.349 126 H ALA 22 HN ALA 22 4.091 7.135 1.486 127 HA ALA 22 HA ALA 22 6.179 6.778 -0.241 128 HB1 ALA 22 HB1 ALA 22 3.959 7.631 -0.880 129 HB2 ALA 22 HB2 ALA 22 5.264 8.602 -1.563 130 HB3 ALA 22 HB3 ALA 22 4.368 9.191 -0.162 131 H ARG 23 HN ARG 23 5.837 9.329 2.157 132 HA ARG 23 HA ARG 23 8.133 10.782 1.218 133 HB2 ARG 23 HB2 ARG 23 7.899 12.049 3.334 134 HB3 ARG 23 HB1 ARG 23 6.396 11.978 2.421 135 HG2 ARG 23 HG2 ARG 23 5.556 10.245 3.913 136 HG3 ARG 23 HG1 ARG 23 7.083 10.256 4.797 137 HD2 ARG 23 HD2 ARG 23 5.183 12.582 4.536 138 HD3 ARG 23 HD1 ARG 23 5.352 11.543 5.951 139 HE ARG 23 HE ARG 23 7.831 12.727 5.188 140 HH11 ARG 23 HH11 ARG 23 4.838 13.328 6.868 141 HH12 ARG 23 HH12 ARG 23 5.510 14.551 7.894 142 HH21 ARG 23 HH21 ARG 23 8.725 14.332 6.536 143 HH22 ARG 23 HH22 ARG 23 7.721 15.120 7.706 144 H PHE 24 HN PHE 24 7.429 8.595 3.908 145 HA PHE 24 HA PHE 24 10.022 8.554 4.997 146 HB2 PHE 24 HB2 PHE 24 7.522 7.079 5.316 147 HB3 PHE 24 HB1 PHE 24 8.933 6.060 5.548 148 HD1 PHE 24 HD2 PHE 24 10.713 6.903 7.206 149 HD2 PHE 24 HD1 PHE 24 6.742 8.422 7.024 150 HE1 PHE 24 HE2 PHE 24 10.941 7.763 9.501 151 HE2 PHE 24 HE1 PHE 24 6.961 9.286 9.318 152 HZ PHE 24 HZ PHE 24 9.062 8.955 10.561 153 H MET 25 HN MET 25 8.607 7.078 2.226 154 HA MET 25 HA MET 25 10.716 5.123 1.904 155 HB2 MET 25 HB2 MET 25 8.311 5.879 0.235 156 HB3 MET 25 HB1 MET 25 9.501 4.693 -0.286 157 HG2 MET 25 HG2 MET 25 7.243 4.120 1.119 158 HG3 MET 25 HG1 MET 25 8.675 3.095 1.042 159 HE1 MET 25 HE1 MET 25 9.764 2.209 3.261 160 HE2 MET 25 HE2 MET 25 10.254 3.382 4.487 161 HE3 MET 25 HE3 MET 25 10.752 3.605 2.810 162 H GLU 26 HN GLU 26 9.605 8.152 0.520 163 HA GLU 26 HA GLU 26 11.562 8.445 -1.467 164 HB2 GLU 26 HB2 GLU 26 9.636 10.164 -0.046 165 HB3 GLU 26 HB1 GLU 26 11.077 11.015 -0.564 166 HG2 GLU 26 HG2 GLU 26 10.629 9.970 -2.860 167 HG3 GLU 26 HG1 GLU 26 9.027 9.618 -2.217 168 H GLN 27 HN GLN 27 11.520 8.683 1.938 169 HA GLN 27 HA GLN 27 14.057 10.035 2.195 170 HB2 GLN 27 HB2 GLN 27 12.051 8.949 4.113 171 HB3 GLN 27 HB1 GLN 27 13.642 9.410 4.667 172 HG2 GLN 27 HG2 GLN 27 11.691 11.194 3.256 173 HG3 GLN 27 HG1 GLN 27 12.016 11.189 4.986 174 HE21 GLN 27 HE21 GLN 27 12.314 13.329 3.015 175 HE22 GLN 27 HE22 GLN 27 13.966 13.825 3.096 176 H PHE 28 HN PHE 28 12.717 6.808 2.872 177 HA PHE 28 HA PHE 28 14.952 5.564 3.882 178 HB2 PHE 28 HB2 PHE 28 12.701 4.509 3.640 179 HB3 PHE 28 HB1 PHE 28 13.030 4.320 1.926 180 HD1 PHE 28 HD1 PHE 28 14.639 2.681 1.134 181 HD2 PHE 28 HD2 PHE 28 13.810 3.131 5.283 182 HE1 PHE 28 HE1 PHE 28 15.734 0.522 1.580 183 HE2 PHE 28 HE2 PHE 28 14.907 0.977 5.738 184 HZ PHE 28 HZ PHE 28 15.872 -0.330 3.886 185 H TYR 29 HN TYR 29 14.117 6.352 0.594 186 HA TYR 29 HA TYR 29 16.393 5.073 -0.610 187 HB2 TYR 29 HB2 TYR 29 14.391 5.408 -1.934 188 HB3 TYR 29 HB1 TYR 29 14.392 7.131 -1.593 189 HD1 TYR 29 HD1 TYR 29 16.190 4.452 -3.409 190 HD2 TYR 29 HD2 TYR 29 15.606 8.640 -2.947 191 HE1 TYR 29 HE1 TYR 29 17.488 4.854 -5.459 192 HE2 TYR 29 HE2 TYR 29 16.898 9.053 -4.994 193 HH TYR 29 HH TYR 29 18.636 7.905 -6.339 194 H ALA 30 HN ALA 30 15.471 8.304 0.458 195 HA ALA 30 HA ALA 30 17.780 9.665 -0.460 196 HB1 ALA 30 HB1 ALA 30 17.071 11.403 1.207 197 HB2 ALA 30 HB2 ALA 30 15.792 10.300 1.720 198 HB3 ALA 30 HB3 ALA 30 15.813 10.919 0.069 199 H LYS 31 HN LYS 31 17.284 7.429 2.020 200 HA LYS 31 HA LYS 31 19.642 8.302 3.535 201 HB2 LYS 31 HB2 LYS 31 17.612 6.180 4.256 202 HB3 LYS 31 HB1 LYS 31 18.868 6.828 5.299 203 HG2 LYS 31 HG2 LYS 31 17.689 8.687 5.794 204 HG3 LYS 31 HG1 LYS 31 16.950 8.780 4.195 205 HD2 LYS 31 HD2 LYS 31 15.316 7.173 4.733 206 HD3 LYS 31 HD1 LYS 31 16.210 6.623 6.155 207 HE2 LYS 31 HE2 LYS 31 15.803 8.834 7.203 208 HE3 LYS 31 HE1 LYS 31 14.817 9.276 5.808 209 HZ1 LYS 31 HZ1 LYS 31 14.277 7.013 7.656 210 HZ2 LYS 31 HZ2 LYS 31 13.331 7.444 6.321 211 HZ3 LYS 31 HZ3 LYS 31 13.456 8.492 7.641 212 H LYS 32 HN LYS 32 18.273 5.706 1.652 213 HA LYS 32 HA LYS 32 20.747 4.144 1.922 214 HB2 LYS 32 HB2 LYS 32 17.885 3.436 1.585 215 HB3 LYS 32 HB1 LYS 32 19.060 2.397 0.809 216 HG2 LYS 32 HG2 LYS 32 19.522 3.103 3.645 217 HG3 LYS 32 HG1 LYS 32 18.204 1.988 3.281 218 HD2 LYS 32 HD2 LYS 32 19.745 0.527 2.092 219 HD3 LYS 32 HD1 LYS 32 21.070 1.652 2.399 220 HE2 LYS 32 HE2 LYS 32 19.487 0.141 4.474 221 HE3 LYS 32 HE1 LYS 32 21.137 -0.211 3.963 222 HZ1 LYS 32 HZ1 LYS 32 21.821 1.946 4.810 223 HZ2 LYS 32 HZ2 LYS 32 21.098 1.030 6.034 224 HZ3 LYS 32 HZ3 LYS 32 20.236 2.286 5.298 225 H GLY 33 HN GLY 33 18.240 3.958 -0.542 226 HA2 GLY 33 HA2 GLY 33 18.898 5.226 -2.707 227 HA3 GLY 33 HA1 GLY 33 20.314 4.186 -2.609 228 H SER 34 HN SER 34 18.145 2.302 -1.293 229 HA SER 34 HA SER 34 16.564 1.465 -3.532 230 HB2 SER 34 HB2 SER 34 18.810 -0.355 -2.623 231 HB3 SER 34 HB1 SER 34 17.563 -0.755 -3.805 232 HG SER 34 HG SER 34 18.391 1.030 -5.064 233 H PHE 35 HN PHE 35 15.181 -0.390 -2.971 234 HA PHE 35 HA PHE 35 14.693 -0.417 -0.088 235 HB2 PHE 35 HB2 PHE 35 12.974 -0.643 -2.473 236 HB3 PHE 35 HB1 PHE 35 12.495 -1.636 -1.098 237 HD1 PHE 35 HD1 PHE 35 13.933 1.784 -1.458 238 HD2 PHE 35 HD2 PHE 35 10.807 -0.648 0.096 239 HE1 PHE 35 HE1 PHE 35 12.943 3.755 -0.375 240 HE2 PHE 35 HE2 PHE 35 9.810 1.322 1.176 241 HZ PHE 35 HZ PHE 35 10.884 3.522 0.942 242 H LYS 36 HN LYS 36 13.673 -3.025 -2.290 243 HA LYS 36 HA LYS 36 14.768 -4.921 -0.420 244 HB2 LYS 36 HB2 LYS 36 12.833 -5.705 -1.422 245 HB3 LYS 36 HB1 LYS 36 13.337 -5.245 -3.044 246 HG2 LYS 36 HG2 LYS 36 14.968 -7.046 -3.039 247 HG3 LYS 36 HG1 LYS 36 14.537 -7.454 -1.373 248 HD2 LYS 36 HD2 LYS 36 13.249 -8.977 -2.508 249 HD3 LYS 36 HD1 LYS 36 12.116 -7.631 -2.405 250 HE2 LYS 36 HE2 LYS 36 12.938 -6.902 -4.665 251 HE3 LYS 36 HE1 LYS 36 13.826 -8.422 -4.752 252 HZ1 LYS 36 HZ1 LYS 36 10.885 -8.140 -4.469 253 HZ2 LYS 36 HZ2 LYS 36 11.725 -9.606 -4.514 254 HZ3 LYS 36 HZ3 LYS 36 11.708 -8.600 -5.873 255 H LEU 37 HN LEU 37 16.505 -6.027 -0.492 256 HA LEU 37 HA LEU 37 18.619 -5.120 -2.266 257 HB2 LEU 37 HB2 LEU 37 19.890 -6.670 -0.533 258 HB3 LEU 37 HB1 LEU 37 19.411 -5.030 -0.136 259 HG LEU 37 HG LEU 37 17.406 -5.887 1.040 260 HD11 LEU 37 HD11 LEU 37 17.663 -8.483 1.447 261 HD12 LEU 37 HD12 LEU 37 18.262 -8.384 -0.206 262 HD13 LEU 37 HD13 LEU 37 16.645 -7.762 0.188 263 HD21 LEU 37 HD21 LEU 37 18.529 -6.821 2.941 264 HD22 LEU 37 HD22 LEU 37 19.589 -5.606 2.222 265 HD23 LEU 37 HD23 LEU 37 19.900 -7.321 1.950 266 H THR 38 HN THR 38 16.773 -7.994 -1.575 267 HA THR 38 HA THR 38 18.030 -9.382 -3.813 268 HB THR 38 HB THR 38 19.236 -9.982 -1.619 269 HG1 THR 38 HG1 THR 38 18.433 -12.411 -2.412 270 HG21 THR 38 HG21 THR 38 18.121 -11.619 -0.196 271 HG22 THR 38 HG22 THR 38 16.669 -11.529 -1.197 272 HG23 THR 38 HG23 THR 38 17.170 -10.129 -0.246 273 H SER 39 HN SER 39 16.774 -11.188 -4.569 274 HA SER 39 HA SER 39 13.992 -10.832 -4.380 275 HB2 SER 39 HB2 SER 39 15.434 -13.337 -5.274 276 HB3 SER 39 HB1 SER 39 13.789 -12.852 -5.687 277 HG SER 39 HG SER 39 14.560 -11.644 -7.216 278 H THR 40 HN THR 40 12.614 -11.454 -2.940 279 HA THR 40 HA THR 40 11.525 -12.699 -1.382 280 HB THR 40 HB THR 40 12.229 -14.768 -0.528 281 HG1 THR 40 HG1 THR 40 14.247 -15.059 -0.015 282 HG21 THR 40 HG21 THR 40 11.636 -14.732 -2.925 283 HG22 THR 40 HG22 THR 40 12.737 -16.046 -2.501 284 HG23 THR 40 HG23 THR 40 13.354 -14.610 -3.318 285 H LYS 41 HN LYS 41 12.759 -10.319 -0.815 286 HA LYS 41 HA LYS 41 13.447 -10.725 2.018 287 HB2 LYS 41 HB2 LYS 41 15.381 -9.949 0.544 288 HB3 LYS 41 HB1 LYS 41 14.549 -8.408 0.415 289 HG2 LYS 41 HG2 LYS 41 14.973 -9.537 3.121 290 HG3 LYS 41 HG1 LYS 41 16.367 -8.901 2.264 291 HD2 LYS 41 HD2 LYS 41 13.961 -7.475 3.301 292 HD3 LYS 41 HD1 LYS 41 15.668 -7.047 3.431 293 HE2 LYS 41 HE2 LYS 41 15.611 -6.596 0.950 294 HE3 LYS 41 HE1 LYS 41 13.860 -6.732 1.053 295 HZ1 LYS 41 HZ1 LYS 41 13.899 -4.945 2.721 296 HZ2 LYS 41 HZ2 LYS 41 14.495 -4.443 1.220 297 HZ3 LYS 41 HZ3 LYS 41 15.566 -4.773 2.486 298 H TRP 42 HN TRP 42 12.717 -9.000 3.458 299 HA TRP 42 HA TRP 42 10.484 -7.492 2.275 300 HB2 TRP 42 HB2 TRP 42 10.462 -9.417 4.481 301 HB3 TRP 42 HB1 TRP 42 9.644 -7.898 4.824 302 HD1 TRP 42 HD1 TRP 42 8.873 -7.957 1.430 303 HE1 TRP 42 HE1 TRP 42 6.707 -9.206 0.885 304 HE3 TRP 42 HE3 TRP 42 8.359 -10.640 5.758 305 HZ2 TRP 42 HZ2 TRP 42 4.995 -11.051 2.104 306 HZ3 TRP 42 HZ3 TRP 42 6.413 -12.131 5.983 307 HH2 TRP 42 HH2 TRP 42 4.764 -12.336 4.192 308 HA PRO 43 HA PRO 43 12.773 -4.216 4.509 309 HB2 PRO 43 HB2 PRO 43 11.781 -2.224 2.903 310 HB3 PRO 43 HB1 PRO 43 13.243 -3.137 2.521 311 HG2 PRO 43 HG2 PRO 43 10.473 -3.459 1.459 312 HG3 PRO 43 HG1 PRO 43 12.026 -3.605 0.615 313 HD2 PRO 43 HD2 PRO 43 10.562 -5.758 1.423 314 HD3 PRO 43 HD1 PRO 43 12.340 -5.778 1.297 315 H GLU 44 HN GLU 44 11.799 -3.412 6.334 316 HA GLU 44 HA GLU 44 9.083 -3.704 6.826 317 HB2 GLU 44 HB2 GLU 44 10.940 -3.490 8.513 318 HB3 GLU 44 HB1 GLU 44 10.815 -1.758 8.260 319 HG2 GLU 44 HG2 GLU 44 8.211 -2.537 8.662 320 HG3 GLU 44 HG1 GLU 44 9.127 -3.528 9.799 321 H LEU 45 HN LEU 45 7.355 -2.412 6.852 322 HA LEU 45 HA LEU 45 7.444 -0.028 5.168 323 HB2 LEU 45 HB2 LEU 45 5.038 -0.227 5.122 324 HB3 LEU 45 HB1 LEU 45 5.750 -1.796 4.796 325 HG LEU 45 HG LEU 45 5.140 -1.354 7.610 326 HD11 LEU 45 HD11 LEU 45 2.688 -1.795 7.206 327 HD12 LEU 45 HD12 LEU 45 2.985 -1.160 5.585 328 HD13 LEU 45 HD13 LEU 45 3.291 -0.150 7.002 329 HD21 LEU 45 HD21 LEU 45 5.745 -3.507 7.084 330 HD22 LEU 45 HD22 LEU 45 4.758 -3.523 5.622 331 HD23 LEU 45 HD23 LEU 45 3.983 -3.592 7.202 332 HA PRO 46 HA PRO 46 7.038 2.742 8.601 333 HB2 PRO 46 HB2 PRO 46 6.097 4.936 7.359 334 HB3 PRO 46 HB1 PRO 46 7.748 4.350 7.125 335 HG2 PRO 46 HG2 PRO 46 5.364 4.050 5.360 336 HG3 PRO 46 HG1 PRO 46 7.050 4.335 4.922 337 HD2 PRO 46 HD2 PRO 46 5.792 1.886 4.828 338 HD3 PRO 46 HD1 PRO 46 7.544 2.115 4.941 339 H VAL 47 HN VAL 47 4.217 3.575 6.567 340 HA VAL 47 HA VAL 47 2.590 3.794 8.944 341 HB VAL 47 HB VAL 47 2.373 5.405 7.010 342 HG11 VAL 47 HG11 VAL 47 1.009 3.057 5.730 343 HG12 VAL 47 HG12 VAL 47 2.491 3.844 5.176 344 HG13 VAL 47 HG13 VAL 47 0.958 4.714 5.134 345 HG21 VAL 47 HG21 VAL 47 0.680 5.168 8.782 346 HG22 VAL 47 HG22 VAL 47 -0.153 3.968 7.792 347 HG23 VAL 47 HG23 VAL 47 -0.012 5.634 7.230 348 H LYS 48 HN LYS 48 1.000 2.475 9.585 349 HA LYS 48 HA LYS 48 0.445 0.079 7.971 350 HB2 LYS 48 HB2 LYS 48 0.427 0.072 10.978 351 HB3 LYS 48 HB1 LYS 48 0.484 -1.303 9.884 352 HG2 LYS 48 HG2 LYS 48 2.676 -1.357 10.188 353 HG3 LYS 48 HG1 LYS 48 2.781 0.176 9.320 354 HD2 LYS 48 HD2 LYS 48 2.373 -0.134 12.295 355 HD3 LYS 48 HD1 LYS 48 3.894 0.284 11.506 356 HE2 LYS 48 HE2 LYS 48 2.792 2.298 10.564 357 HE3 LYS 48 HE1 LYS 48 1.344 1.898 11.491 358 HZ1 LYS 48 HZ1 LYS 48 4.022 2.487 12.639 359 HZ2 LYS 48 HZ2 LYS 48 2.633 2.105 13.525 360 HZ3 LYS 48 HZ3 LYS 48 2.698 3.539 12.631 361 H GLU 49 HN GLU 49 -0.744 2.860 9.072 362 HA GLU 49 HA GLU 49 -3.464 2.080 8.739 363 HB2 GLU 49 HB2 GLU 49 -2.984 1.352 11.089 364 HB3 GLU 49 HB1 GLU 49 -2.697 3.039 11.487 365 HG2 GLU 49 HG2 GLU 49 -5.019 3.530 10.706 366 HG3 GLU 49 HG1 GLU 49 -5.270 1.790 10.568 367 H ALA 50 HN ALA 50 -4.690 3.754 8.200 368 HA ALA 50 HA ALA 50 -3.481 6.418 8.103 369 HB1 ALA 50 HB1 ALA 50 -4.177 5.871 5.968 370 HB2 ALA 50 HB2 ALA 50 -5.567 6.763 6.576 371 HB3 ALA 50 HB3 ALA 50 -5.598 5.002 6.540 372 H GLY 51 HN GLY 51 -6.771 5.194 8.359 373 HA2 GLY 51 HA2 GLY 51 -7.419 6.243 10.884 374 HA3 GLY 51 HA1 GLY 51 -7.900 7.404 9.647 375 H GLY 52 HN GLY 52 -8.354 5.371 7.667 376 HA2 GLY 52 HA2 GLY 52 -10.691 3.948 8.729 377 HA3 GLY 52 HA1 GLY 52 -10.805 4.880 7.245 378 H PHE 53 HN PHE 53 -7.824 3.966 7.025 379 HA PHE 53 HA PHE 53 -8.355 1.284 5.928 380 HB2 PHE 53 HB2 PHE 53 -6.917 3.616 4.721 381 HB3 PHE 53 HB1 PHE 53 -6.295 2.008 4.405 382 HD1 PHE 53 HD1 PHE 53 -9.796 3.296 4.603 383 HD2 PHE 53 HD2 PHE 53 -6.778 1.472 2.244 384 HE1 PHE 53 HE1 PHE 53 -11.405 3.021 2.775 385 HE2 PHE 53 HE2 PHE 53 -8.384 1.182 0.407 386 HZ PHE 53 HZ PHE 53 -10.703 1.960 0.671 387 H CYS 54 HN CYS 54 -6.378 -0.076 5.818 388 HA CYS 54 HA CYS 54 -4.387 0.674 7.842 389 HB2 CYS 54 HB2 CYS 54 -4.249 -1.610 8.608 390 HB3 CYS 54 HB1 CYS 54 -5.934 -1.117 8.667 391 H ILE 55 HN ILE 55 -2.279 0.244 7.343 392 HA ILE 55 HA ILE 55 -1.853 -0.484 4.534 393 HB ILE 55 HB ILE 55 -0.228 1.338 6.290 394 HG12 ILE 55 HG12 ILE 55 -1.124 3.028 4.546 395 HG13 ILE 55 HG11 ILE 55 -2.330 1.796 4.200 396 HG21 ILE 55 HG21 ILE 55 0.082 0.501 3.424 397 HG22 ILE 55 HG22 ILE 55 1.268 0.420 4.728 398 HG23 ILE 55 HG23 ILE 55 0.796 1.984 4.060 399 HD11 ILE 55 HD11 ILE 55 -3.280 1.963 6.318 400 HD12 ILE 55 HD12 ILE 55 -2.979 3.626 5.810 401 HD13 ILE 55 HD13 ILE 55 -1.895 2.847 6.964 402 H ARG 56 HN ARG 56 -0.046 -1.582 3.895 403 HA ARG 56 HA ARG 56 1.749 -2.804 5.823 404 HB2 ARG 56 HB2 ARG 56 -0.333 -4.336 4.275 405 HB3 ARG 56 HB1 ARG 56 1.198 -5.092 4.685 406 HG2 ARG 56 HG2 ARG 56 -0.683 -3.873 6.690 407 HG3 ARG 56 HG1 ARG 56 -0.645 -5.584 6.265 408 HD2 ARG 56 HD2 ARG 56 1.652 -5.748 7.029 409 HD3 ARG 56 HD1 ARG 56 1.674 -4.022 7.389 410 HE ARG 56 HE ARG 56 -0.430 -5.303 8.784 411 HH11 ARG 56 HH11 ARG 56 3.034 -4.918 8.794 412 HH12 ARG 56 HH12 ARG 56 3.185 -5.172 10.500 413 HH21 ARG 56 HH21 ARG 56 -0.240 -5.637 11.029 414 HH22 ARG 56 HH22 ARG 56 1.323 -5.581 11.772 415 H MET 57 HN MET 57 3.613 -3.753 4.795 416 HA MET 57 HA MET 57 4.501 -2.364 2.537 417 HB2 MET 57 HB2 MET 57 5.876 -3.579 4.350 418 HB3 MET 57 HB1 MET 57 5.666 -5.006 3.342 419 HG2 MET 57 HG2 MET 57 6.492 -3.118 1.541 420 HG3 MET 57 HG1 MET 57 7.406 -2.702 2.991 421 HE1 MET 57 HE1 MET 57 6.316 -5.448 0.602 422 HE2 MET 57 HE2 MET 57 6.278 -6.455 2.053 423 HE3 MET 57 HE3 MET 57 7.500 -6.734 0.816 424 H SER 58 HN SER 58 5.054 -3.133 0.426 425 HA SER 58 HA SER 58 3.066 -4.238 -1.035 426 HB2 SER 58 HB2 SER 58 4.880 -3.156 -2.161 427 HB3 SER 58 HB1 SER 58 6.042 -4.343 -1.545 428 HG SER 58 HG SER 58 4.161 -4.582 -3.604 429 H GLY 59 HN GLY 59 3.337 -6.344 -2.406 430 HA2 GLY 59 HA2 GLY 59 2.466 -8.476 -1.020 431 HA3 GLY 59 HA1 GLY 59 3.253 -8.616 -2.568 432 H GLN 60 HN GLN 60 4.208 -10.506 -2.321 433 HA GLN 60 HA GLN 60 5.514 -11.396 0.028 434 HB2 GLN 60 HB2 GLN 60 6.468 -13.121 -1.696 435 HB3 GLN 60 HB1 GLN 60 4.777 -13.155 -1.231 436 HG2 GLN 60 HG2 GLN 60 4.180 -11.929 -3.233 437 HG3 GLN 60 HG1 GLN 60 5.878 -11.846 -3.695 438 HE21 GLN 60 HE21 GLN 60 4.441 -14.657 -2.212 439 HE22 GLN 60 HE22 GLN 60 4.525 -15.678 -3.603 440 H ALA 61 HN ALA 61 7.641 -11.640 0.508 441 HA ALA 61 HA ALA 61 9.464 -9.701 -0.043 442 HB1 ALA 61 HB1 ALA 61 10.290 -12.552 0.415 443 HB2 ALA 61 HB2 ALA 61 9.579 -11.553 1.683 444 HB3 ALA 61 HB3 ALA 61 11.104 -11.077 0.936 445 H LYS 62 HN LYS 62 8.711 -12.492 -2.007 446 HA LYS 62 HA LYS 62 11.009 -12.298 -3.699 447 HB2 LYS 62 HB2 LYS 62 9.947 -14.416 -3.499 448 HB3 LYS 62 HB1 LYS 62 8.388 -13.744 -3.922 449 HG2 LYS 62 HG2 LYS 62 8.851 -14.634 -5.931 450 HG3 LYS 62 HG1 LYS 62 9.765 -13.143 -6.151 451 HD2 LYS 62 HD2 LYS 62 11.137 -15.015 -6.802 452 HD3 LYS 62 HD1 LYS 62 11.787 -14.307 -5.323 453 HE2 LYS 62 HE2 LYS 62 11.768 -16.772 -5.269 454 HE3 LYS 62 HE1 LYS 62 10.783 -16.054 -3.992 455 HZ1 LYS 62 HZ1 LYS 62 9.641 -17.905 -5.022 456 HZ2 LYS 62 HZ2 LYS 62 9.775 -17.191 -6.548 457 HZ3 LYS 62 HZ3 LYS 62 8.815 -16.466 -5.360 458 H GLY 63 HN GLY 63 7.725 -11.086 -3.767 459 HA2 GLY 63 HA2 GLY 63 8.273 -9.666 -6.283 460 HA3 GLY 63 HA1 GLY 63 6.673 -10.044 -5.667 461 H ILE 64 HN ILE 64 9.573 -8.488 -4.357 462 HA ILE 64 HA ILE 64 7.817 -6.367 -3.364 463 HB ILE 64 HB ILE 64 10.424 -7.399 -2.294 464 HG12 ILE 64 HG12 ILE 64 8.824 -8.743 -1.398 465 HG13 ILE 64 HG11 ILE 64 8.754 -7.426 -0.235 466 HG21 ILE 64 HG21 ILE 64 10.630 -5.074 -1.980 467 HG22 ILE 64 HG22 ILE 64 10.038 -5.724 -0.448 468 HG23 ILE 64 HG23 ILE 64 8.927 -4.906 -1.549 469 HD11 ILE 64 HD11 ILE 64 6.906 -6.473 -1.733 470 HD12 ILE 64 HD12 ILE 64 6.537 -7.871 -0.723 471 HD13 ILE 64 HD13 ILE 64 6.852 -8.092 -2.452 472 H LEU 65 HN LEU 65 8.191 -4.356 -3.502 473 HA LEU 65 HA LEU 65 8.847 -3.086 -5.674 474 HB2 LEU 65 HB2 LEU 65 9.780 -1.277 -3.928 475 HB3 LEU 65 HB1 LEU 65 8.077 -1.591 -4.201 476 HG LEU 65 HG LEU 65 8.389 -3.323 -2.293 477 HD11 LEU 65 HD11 LEU 65 10.813 -3.185 -2.207 478 HD12 LEU 65 HD12 LEU 65 10.111 -2.644 -0.679 479 HD13 LEU 65 HD13 LEU 65 10.709 -1.462 -1.845 480 HD21 LEU 65 HD21 LEU 65 8.624 -0.572 -1.246 481 HD22 LEU 65 HD22 LEU 65 7.418 -1.818 -0.906 482 HD23 LEU 65 HD23 LEU 65 7.322 -0.877 -2.399 483 H GLU 66 HN GLU 66 10.486 -2.337 -6.820 484 HA GLU 66 HA GLU 66 13.198 -2.286 -5.791 485 HB2 GLU 66 HB2 GLU 66 12.395 -4.079 -8.089 486 HB3 GLU 66 HB1 GLU 66 14.054 -3.579 -7.788 487 HG2 GLU 66 HG2 GLU 66 13.610 -4.550 -5.405 488 HG3 GLU 66 HG1 GLU 66 12.316 -5.425 -6.226 489 H GLY 67 HN GLY 67 13.720 -0.260 -6.282 490 HA2 GLY 67 HA2 GLY 67 14.170 1.584 -7.627 491 HA3 GLY 67 HA1 GLY 67 13.557 0.675 -9.011 492 H LYS 68 HN LYS 68 11.387 0.261 -6.672 493 HA LYS 68 HA LYS 68 9.814 2.693 -7.129 494 HB2 LYS 68 HB2 LYS 68 8.054 1.615 -8.119 495 HB3 LYS 68 HB1 LYS 68 9.292 0.460 -8.604 496 HG2 LYS 68 HG2 LYS 68 8.781 -0.918 -6.652 497 HG3 LYS 68 HG1 LYS 68 7.542 0.231 -6.160 498 HD2 LYS 68 HD2 LYS 68 6.215 -0.273 -8.085 499 HD3 LYS 68 HD1 LYS 68 7.513 -1.250 -8.785 500 HE2 LYS 68 HE2 LYS 68 7.352 -2.753 -6.804 501 HE3 LYS 68 HE1 LYS 68 5.937 -1.830 -6.278 502 HZ1 LYS 68 HZ1 LYS 68 4.807 -2.450 -8.314 503 HZ2 LYS 68 HZ2 LYS 68 5.317 -3.838 -7.492 504 HZ3 LYS 68 HZ3 LYS 68 6.167 -3.302 -8.853 505 H PHE 69 HN PHE 69 8.756 3.304 -5.232 506 HA PHE 69 HA PHE 69 8.644 1.240 -3.130 507 HB2 PHE 69 HB2 PHE 69 8.657 4.081 -2.275 508 HB3 PHE 69 HB1 PHE 69 9.385 2.667 -1.518 509 HD1 PHE 69 HD2 PHE 69 11.165 1.631 -3.573 510 HD2 PHE 69 HD1 PHE 69 10.302 5.649 -2.502 511 HE1 PHE 69 HE2 PHE 69 13.358 2.327 -4.440 512 HE2 PHE 69 HE1 PHE 69 12.492 6.358 -3.368 513 HZ PHE 69 HZ PHE 69 14.022 4.693 -4.340 514 H THR 70 HN THR 70 6.620 0.655 -2.641 515 HA THR 70 HA THR 70 4.504 2.671 -2.619 516 HB THR 70 HB THR 70 4.000 0.129 -4.151 517 HG1 THR 70 HG1 THR 70 5.605 1.108 -5.346 518 HG21 THR 70 HG21 THR 70 1.981 1.283 -3.535 519 HG22 THR 70 HG22 THR 70 2.266 1.677 -5.230 520 HG23 THR 70 HG23 THR 70 2.657 2.853 -3.980 521 H LEU 71 HN LEU 71 2.820 2.235 -1.294 522 HA LEU 71 HA LEU 71 2.763 -0.395 0.021 523 HB2 LEU 71 HB2 LEU 71 2.305 2.332 1.211 524 HB3 LEU 71 HB1 LEU 71 1.796 0.855 1.997 525 HG LEU 71 HG LEU 71 4.514 1.970 1.638 526 HD11 LEU 71 HD11 LEU 71 4.705 0.999 3.953 527 HD12 LEU 71 HD12 LEU 71 2.986 0.626 3.840 528 HD13 LEU 71 HD13 LEU 71 3.534 2.300 3.752 529 HD21 LEU 71 HD21 LEU 71 5.000 -0.066 0.618 530 HD22 LEU 71 HD22 LEU 71 3.869 -0.955 1.637 531 HD23 LEU 71 HD23 LEU 71 5.381 -0.350 2.316 532 H LYS 72 HN LYS 72 0.661 -1.107 0.705 533 HA LYS 72 HA LYS 72 -1.519 0.261 -0.731 534 HB2 LYS 72 HB2 LYS 72 -0.943 -1.871 -1.809 535 HB3 LYS 72 HB1 LYS 72 -1.198 -2.712 -0.284 536 HG2 LYS 72 HG2 LYS 72 -3.563 -1.929 -0.325 537 HG3 LYS 72 HG1 LYS 72 -3.264 -1.284 -1.941 538 HD2 LYS 72 HD2 LYS 72 -4.284 -3.449 -2.154 539 HD3 LYS 72 HD1 LYS 72 -2.599 -3.568 -2.663 540 HE2 LYS 72 HE2 LYS 72 -2.964 -5.460 -1.325 541 HE3 LYS 72 HE1 LYS 72 -2.100 -4.330 -0.288 542 HZ1 LYS 72 HZ1 LYS 72 -4.191 -3.700 0.724 543 HZ2 LYS 72 HZ2 LYS 72 -3.958 -5.369 0.860 544 HZ3 LYS 72 HZ3 LYS 72 -5.038 -4.757 -0.289 545 H ALA 73 HN ALA 73 -3.299 0.688 0.298 546 HA ALA 73 HA ALA 73 -3.495 -0.102 3.119 547 HB1 ALA 73 HB1 ALA 73 -3.225 2.350 2.394 548 HB2 ALA 73 HB2 ALA 73 -4.505 1.970 3.559 549 HB3 ALA 73 HB3 ALA 73 -4.901 2.230 1.859 550 H VAL 74 HN VAL 74 -5.505 -0.682 3.939 551 HA VAL 74 HA VAL 74 -7.589 -1.296 1.962 552 HB VAL 74 HB VAL 74 -6.339 -3.130 3.977 553 HG11 VAL 74 HG11 VAL 74 -8.664 -3.332 4.492 554 HG12 VAL 74 HG12 VAL 74 -8.236 -4.711 3.483 555 HG13 VAL 74 HG13 VAL 74 -9.102 -3.346 2.785 556 HG21 VAL 74 HG21 VAL 74 -5.632 -2.957 1.550 557 HG22 VAL 74 HG22 VAL 74 -7.192 -3.689 1.153 558 HG23 VAL 74 HG23 VAL 74 -6.029 -4.568 2.151 559 H ALA 75 HN ALA 75 -9.672 -1.019 2.664 560 HA ALA 75 HA ALA 75 -10.154 0.738 4.760 561 HB1 ALA 75 HB1 ALA 75 -12.558 -0.082 4.532 562 HB2 ALA 75 HB2 ALA 75 -11.946 -1.138 3.253 563 HB3 ALA 75 HB3 ALA 75 -11.790 0.618 3.108 564 H LEU 76 HN LEU 76 -10.768 0.528 6.845 565 HA LEU 76 HA LEU 76 -10.050 -1.870 8.205 566 HB2 LEU 76 HB2 LEU 76 -11.461 0.603 9.223 567 HB3 LEU 76 HB1 LEU 76 -10.702 -0.633 10.219 568 HG LEU 76 HG LEU 76 -9.195 0.994 8.189 569 HD11 LEU 76 HD11 LEU 76 -10.060 2.545 9.823 570 HD12 LEU 76 HD12 LEU 76 -8.323 2.316 10.057 571 HD13 LEU 76 HD13 LEU 76 -9.473 1.524 11.139 572 HD21 LEU 76 HD21 LEU 76 -7.237 0.235 9.435 573 HD22 LEU 76 HD22 LEU 76 -8.173 -1.126 8.817 574 HD23 LEU 76 HD23 LEU 76 -8.280 -0.683 10.520 575 H ASP 77 HN ASP 77 -12.917 -0.231 7.195 576 HA ASP 77 HA ASP 77 -14.641 -2.414 8.132 577 HB2 ASP 77 HB2 ASP 77 -15.608 0.054 6.694 578 HB3 ASP 77 HB1 ASP 77 -16.499 -0.999 7.784 579 H ARG 78 HN ARG 78 -12.658 -2.583 5.945 580 HA ARG 78 HA ARG 78 -13.627 -2.392 3.407 581 HB2 ARG 78 HB2 ARG 78 -11.898 -3.731 2.734 582 HB3 ARG 78 HB1 ARG 78 -11.328 -3.143 4.277 583 HG2 ARG 78 HG2 ARG 78 -11.012 -5.225 4.944 584 HG3 ARG 78 HG1 ARG 78 -12.740 -5.547 4.752 585 HD2 ARG 78 HD2 ARG 78 -12.283 -5.853 2.298 586 HD3 ARG 78 HD1 ARG 78 -10.566 -5.830 2.697 587 HE ARG 78 HE ARG 78 -11.786 -7.737 4.326 588 HH11 ARG 78 HH11 ARG 78 -11.149 -7.215 0.940 589 HH12 ARG 78 HH12 ARG 78 -11.076 -8.903 0.563 590 HH21 ARG 78 HH21 ARG 78 -11.687 -9.962 3.838 591 HH22 ARG 78 HH22 ARG 78 -11.377 -10.465 2.209 592 H GLU 79 HN GLU 79 -14.557 -4.791 5.781 593 HA GLU 79 HA GLU 79 -15.624 -6.765 4.149 594 HB2 GLU 79 HB2 GLU 79 -17.038 -5.710 6.599 595 HB3 GLU 79 HB1 GLU 79 -17.059 -7.353 5.967 596 HG2 GLU 79 HG2 GLU 79 -14.644 -7.530 6.503 597 HG3 GLU 79 HG1 GLU 79 -14.740 -5.938 7.256 598 H ALA 80 HN ALA 80 -16.573 -3.579 4.796 599 HA ALA 80 HA ALA 80 -19.013 -3.760 3.203 600 HB1 ALA 80 HB1 ALA 80 -19.445 -2.819 5.335 601 HB2 ALA 80 HB2 ALA 80 -19.420 -1.463 4.206 602 HB3 ALA 80 HB3 ALA 80 -18.021 -1.779 5.243 603 H GLU 81 HN GLU 81 -15.799 -2.505 3.297 604 HA GLU 81 HA GLU 81 -16.264 -0.982 0.804 605 HB2 GLU 81 HB2 GLU 81 -14.202 -0.345 2.908 606 HB3 GLU 81 HB1 GLU 81 -14.632 0.618 1.504 607 HG2 GLU 81 HG2 GLU 81 -16.482 0.027 3.797 608 HG3 GLU 81 HG1 GLU 81 -15.523 1.497 3.631 609 HA PRO 82 HA PRO 82 -13.159 -4.356 -0.095 610 HB2 PRO 82 HB2 PRO 82 -13.824 -4.369 -2.791 611 HB3 PRO 82 HB1 PRO 82 -14.476 -5.476 -1.581 612 HG2 PRO 82 HG2 PRO 82 -15.677 -3.029 -2.770 613 HG3 PRO 82 HG1 PRO 82 -16.465 -4.522 -2.232 614 HD2 PRO 82 HD2 PRO 82 -16.552 -2.215 -0.810 615 HD3 PRO 82 HD1 PRO 82 -16.584 -3.815 -0.044 616 H ARG 83 HN ARG 83 -13.746 -1.159 -1.126 617 HA ARG 83 HA ARG 83 -11.825 -0.764 -3.091 618 HB2 ARG 83 HB2 ARG 83 -13.154 1.012 -1.112 619 HB3 ARG 83 HB1 ARG 83 -11.747 1.632 -1.966 620 HG2 ARG 83 HG2 ARG 83 -12.872 1.024 -4.107 621 HG3 ARG 83 HG1 ARG 83 -14.314 0.628 -3.170 622 HD2 ARG 83 HD2 ARG 83 -14.507 2.880 -2.395 623 HD3 ARG 83 HD1 ARG 83 -12.953 3.313 -3.107 624 HE ARG 83 HE ARG 83 -15.111 2.403 -4.866 625 HH11 ARG 83 HH11 ARG 83 -13.049 4.969 -3.715 626 HH12 ARG 83 HH12 ARG 83 -13.430 6.036 -5.026 627 HH21 ARG 83 HH21 ARG 83 -15.613 3.801 -6.594 628 HH22 ARG 83 HH22 ARG 83 -14.885 5.370 -6.664 629 H VAL 84 HN VAL 84 -9.733 -0.466 -3.159 630 HA VAL 84 HA VAL 84 -8.181 -0.416 -0.653 631 HB VAL 84 HB VAL 84 -6.696 -1.595 -2.831 632 HG11 VAL 84 HG11 VAL 84 -5.754 -2.488 -1.054 633 HG12 VAL 84 HG12 VAL 84 -7.200 -3.474 -0.803 634 HG13 VAL 84 HG13 VAL 84 -7.064 -1.891 -0.035 635 HG21 VAL 84 HG21 VAL 84 -9.073 -3.231 -2.007 636 HG22 VAL 84 HG22 VAL 84 -7.889 -3.585 -3.268 637 HG23 VAL 84 HG23 VAL 84 -9.055 -2.278 -3.491 638 H LEU 85 HN LEU 85 -6.049 0.673 -0.870 639 HA LEU 85 HA LEU 85 -5.821 2.323 -3.293 640 HB2 LEU 85 HB2 LEU 85 -6.923 3.603 -1.422 641 HB3 LEU 85 HB1 LEU 85 -5.425 3.460 -0.532 642 HG LEU 85 HG LEU 85 -4.345 4.603 -2.585 643 HD11 LEU 85 HD11 LEU 85 -6.070 4.511 -4.195 644 HD12 LEU 85 HD12 LEU 85 -5.965 6.200 -3.687 645 HD13 LEU 85 HD13 LEU 85 -7.266 5.174 -3.067 646 HD21 LEU 85 HD21 LEU 85 -4.359 5.760 -0.543 647 HD22 LEU 85 HD22 LEU 85 -6.110 5.964 -0.566 648 HD23 LEU 85 HD23 LEU 85 -5.100 6.867 -1.697 649 H ARG 86 HN ARG 86 -3.733 3.346 -3.530 650 HA ARG 86 HA ARG 86 -1.512 2.274 -2.004 651 HB2 ARG 86 HB2 ARG 86 -0.810 0.762 -3.503 652 HB3 ARG 86 HB1 ARG 86 -2.243 1.049 -4.449 653 HG2 ARG 86 HG2 ARG 86 -1.114 2.743 -5.732 654 HG3 ARG 86 HG1 ARG 86 0.317 2.589 -4.713 655 HD2 ARG 86 HD2 ARG 86 0.634 0.302 -5.450 656 HD3 ARG 86 HD1 ARG 86 -0.848 0.377 -6.400 657 HE ARG 86 HE ARG 86 1.104 2.373 -7.103 658 HH11 ARG 86 HH11 ARG 86 -0.019 -0.878 -7.661 659 HH12 ARG 86 HH12 ARG 86 0.685 -0.988 -9.238 660 HH21 ARG 86 HH21 ARG 86 2.034 2.238 -9.179 661 HH22 ARG 86 HH22 ARG 86 1.852 0.784 -10.103 662 H LEU 87 HN LEU 87 0.349 3.547 -2.191 663 HA LEU 87 HA LEU 87 0.352 5.745 -4.087 664 HB2 LEU 87 HB2 LEU 87 -0.900 6.529 -2.029 665 HB3 LEU 87 HB1 LEU 87 0.588 6.303 -1.141 666 HG LEU 87 HG LEU 87 1.660 8.098 -2.161 667 HD11 LEU 87 HD11 LEU 87 -0.315 7.655 -4.339 668 HD12 LEU 87 HD12 LEU 87 1.426 7.919 -4.430 669 HD13 LEU 87 HD13 LEU 87 0.341 9.274 -4.114 670 HD21 LEU 87 HD21 LEU 87 -0.318 8.630 -0.649 671 HD22 LEU 87 HD22 LEU 87 -1.184 9.059 -2.126 672 HD23 LEU 87 HD23 LEU 87 0.282 9.931 -1.677 673 H ASN 88 HN ASN 88 2.336 5.981 -4.858 674 HA ASN 88 HA ASN 88 4.500 4.629 -3.424 675 HB2 ASN 88 HB2 ASN 88 5.742 4.888 -5.613 676 HB3 ASN 88 HB1 ASN 88 4.325 3.847 -5.649 677 HD21 ASN 88 HD21 ASN 88 4.721 7.369 -5.828 678 HD22 ASN 88 HD22 ASN 88 3.892 7.552 -7.330 679 H GLU 89 HN GLU 89 6.749 5.680 -3.985 680 HA GLU 89 HA GLU 89 6.941 8.029 -2.468 681 HB2 GLU 89 HB2 GLU 89 9.231 7.898 -2.815 682 HB3 GLU 89 HB1 GLU 89 8.717 6.236 -3.036 683 HG2 GLU 89 HG2 GLU 89 9.107 8.133 -5.332 684 HG3 GLU 89 HG1 GLU 89 10.391 7.109 -4.695 685 H SER 90 HN SER 90 6.226 7.548 -5.784 686 HA SER 90 HA SER 90 7.006 10.229 -6.600 687 HB2 SER 90 HB2 SER 90 7.290 8.284 -8.152 688 HB3 SER 90 HB1 SER 90 5.536 8.109 -8.191 689 HG SER 90 HG SER 90 5.432 10.232 -9.053 690 H LEU 91 HN LEU 91 4.772 9.224 -4.712 691 HA LEU 91 HA LEU 91 2.747 9.883 -4.035 692 HB2 LEU 91 HB2 LEU 91 3.679 12.240 -5.586 693 HB3 LEU 91 HB1 LEU 91 2.134 12.251 -4.751 694 HG LEU 91 HG LEU 91 4.567 12.972 -3.691 695 HD11 LEU 91 HD11 LEU 91 2.319 13.658 -2.962 696 HD12 LEU 91 HD12 LEU 91 3.373 13.221 -1.617 697 HD13 LEU 91 HD13 LEU 91 2.132 12.094 -2.167 698 HD21 LEU 91 HD21 LEU 91 3.831 10.334 -2.447 699 HD22 LEU 91 HD22 LEU 91 5.149 11.406 -1.970 700 HD23 LEU 91 HD23 LEU 91 5.207 10.576 -3.527 701 H THR 92 HN THR 92 2.920 8.319 -6.459 702 HA THR 92 HA THR 92 0.512 9.156 -7.913 703 HB THR 92 HB THR 92 2.587 7.047 -8.521 704 HG1 THR 92 HG1 THR 92 3.305 8.463 -9.968 705 HG21 THR 92 HG21 THR 92 1.330 6.693 -10.640 706 HG22 THR 92 HG22 THR 92 0.031 7.694 -9.993 707 HG23 THR 92 HG23 THR 92 0.443 6.170 -9.207 708 H ALA 93 HN ALA 93 -1.334 8.374 -7.101 709 HA ALA 93 HA ALA 93 -1.228 5.825 -5.636 710 HB1 ALA 93 HB1 ALA 93 -3.043 6.518 -4.352 711 HB2 ALA 93 HB2 ALA 93 -3.504 7.763 -5.511 712 HB3 ALA 93 HB3 ALA 93 -2.060 7.975 -4.517 713 H VAL 94 HN VAL 94 -2.857 4.342 -5.812 714 HA VAL 94 HA VAL 94 -4.755 4.612 -7.999 715 HB VAL 94 HB VAL 94 -2.832 3.466 -9.048 716 HG11 VAL 94 HG11 VAL 94 -1.647 1.902 -8.004 717 HG12 VAL 94 HG12 VAL 94 -3.087 0.916 -7.751 718 HG13 VAL 94 HG13 VAL 94 -2.648 2.153 -6.572 719 HG21 VAL 94 HG21 VAL 94 -4.082 1.452 -9.836 720 HG22 VAL 94 HG22 VAL 94 -5.025 2.942 -9.881 721 HG23 VAL 94 HG23 VAL 94 -5.289 1.771 -8.588 722 H VAL 95 HN VAL 95 -6.610 3.879 -7.546 723 HA VAL 95 HA VAL 95 -6.979 2.400 -5.048 724 HB VAL 95 HB VAL 95 -8.123 4.473 -5.035 725 HG11 VAL 95 HG11 VAL 95 -9.287 3.704 -7.714 726 HG12 VAL 95 HG12 VAL 95 -7.957 4.850 -7.466 727 HG13 VAL 95 HG13 VAL 95 -9.576 5.207 -6.835 728 HG21 VAL 95 HG21 VAL 95 -10.432 3.831 -4.810 729 HG22 VAL 95 HG22 VAL 95 -9.420 2.504 -4.233 730 HG23 VAL 95 HG23 VAL 95 -10.180 2.411 -5.823 731 H CYS 96 HN CYS 96 -8.306 0.634 -4.940 732 HA CYS 96 HA CYS 96 -9.131 -0.569 -7.486 733 HB2 CYS 96 HB2 CYS 96 -7.824 -1.805 -5.076 734 HB3 CYS 96 HB1 CYS 96 -8.869 -2.773 -6.106 735 H GLY 97 HN GLY 97 -11.056 -1.761 -7.459 736 HA2 GLY 97 HA2 GLY 97 -12.881 -0.860 -5.344 737 HA3 GLY 97 HA1 GLY 97 -13.359 -1.329 -6.972 738 H LYS 98 HN LYS 98 -11.036 -3.391 -6.023 739 HA LYS 98 HA LYS 98 -12.672 -5.199 -4.480 740 HB2 LYS 98 HB2 LYS 98 -13.017 -5.371 -7.134 741 HB3 LYS 98 HB1 LYS 98 -11.591 -6.370 -6.983 742 HG2 LYS 98 HG2 LYS 98 -14.253 -6.773 -5.659 743 HG3 LYS 98 HG1 LYS 98 -13.508 -7.772 -6.910 744 HD2 LYS 98 HD2 LYS 98 -12.790 -9.053 -5.208 745 HD3 LYS 98 HD1 LYS 98 -11.612 -7.773 -4.915 746 HE2 LYS 98 HE2 LYS 98 -12.655 -8.200 -2.840 747 HE3 LYS 98 HE1 LYS 98 -13.335 -6.686 -3.438 748 HZ1 LYS 98 HZ1 LYS 98 -14.619 -9.360 -3.602 749 HZ2 LYS 98 HZ2 LYS 98 -15.267 -7.929 -4.229 750 HZ3 LYS 98 HZ3 LYS 98 -15.063 -8.104 -2.559 751 H MET 99 HN MET 99 -11.415 -6.219 -3.089 752 HA MET 99 HA MET 99 -8.573 -6.587 -3.772 753 HB2 MET 99 HB2 MET 99 -9.326 -4.968 -1.817 754 HB3 MET 99 HB1 MET 99 -9.435 -6.459 -0.925 755 HG2 MET 99 HG2 MET 99 -7.004 -6.603 -2.252 756 HG3 MET 99 HG1 MET 99 -7.113 -4.940 -1.670 757 HE1 MET 99 HE1 MET 99 -7.717 -8.614 0.971 758 HE2 MET 99 HE2 MET 99 -7.655 -8.595 -0.798 759 HE3 MET 99 HE3 MET 99 -8.996 -7.820 0.042 760 H LYS 100 HN LYS 100 -8.317 -8.624 -4.296 761 HA LYS 100 HA LYS 100 -9.966 -10.670 -3.034 762 HB2 LYS 100 HB2 LYS 100 -7.959 -10.997 -5.265 763 HB3 LYS 100 HB1 LYS 100 -9.208 -12.139 -4.783 764 HG2 LYS 100 HG2 LYS 100 -10.934 -10.575 -5.478 765 HG3 LYS 100 HG1 LYS 100 -9.699 -9.394 -5.920 766 HD2 LYS 100 HD2 LYS 100 -8.824 -10.927 -7.606 767 HD3 LYS 100 HD1 LYS 100 -10.033 -12.130 -7.152 768 HE2 LYS 100 HE2 LYS 100 -10.601 -9.386 -8.273 769 HE3 LYS 100 HE1 LYS 100 -10.691 -10.903 -9.167 770 HZ1 LYS 100 HZ1 LYS 100 -12.362 -10.171 -6.822 771 HZ2 LYS 100 HZ2 LYS 100 -12.446 -11.633 -7.668 772 HZ3 LYS 100 HZ3 LYS 100 -12.873 -10.187 -8.436 773 H GLY 101 HN GLY 101 -6.510 -10.662 -3.946 774 HA2 GLY 101 HA2 GLY 101 -5.957 -12.507 -1.772 775 HA3 GLY 101 HA1 GLY 101 -4.828 -11.985 -3.010 776 H LYS 102 HN LYS 102 -3.211 -10.844 -2.296 777 HA LYS 102 HA LYS 102 -1.846 -9.858 -0.725 778 HB2 LYS 102 HB2 LYS 102 -2.555 -7.434 -0.409 779 HB3 LYS 102 HB1 LYS 102 -2.316 -7.998 -2.055 780 HG2 LYS 102 HG2 LYS 102 -4.980 -8.471 -1.567 781 HG3 LYS 102 HG1 LYS 102 -4.670 -6.931 -0.773 782 HD2 LYS 102 HD2 LYS 102 -5.259 -6.322 -2.954 783 HD3 LYS 102 HD1 LYS 102 -3.495 -6.278 -2.979 784 HE2 LYS 102 HE2 LYS 102 -4.300 -7.391 -4.956 785 HE3 LYS 102 HE1 LYS 102 -3.497 -8.563 -3.915 786 HZ1 LYS 102 HZ1 LYS 102 -6.423 -8.174 -4.211 787 HZ2 LYS 102 HZ2 LYS 102 -5.707 -9.214 -3.087 788 HZ3 LYS 102 HZ3 LYS 102 -5.519 -9.503 -4.743 789 H GLY 103 HN GLY 103 -3.389 -7.633 0.954 790 HA2 GLY 103 HA2 GLY 103 -4.338 -9.443 3.066 791 HA3 GLY 103 HA1 GLY 103 -3.075 -8.276 3.439 792 H SER 104 HN SER 104 -5.817 -8.550 4.496 793 HA SER 104 HA SER 104 -6.664 -5.794 3.982 794 HB2 SER 104 HB2 SER 104 -9.053 -6.610 4.007 795 HB3 SER 104 HB1 SER 104 -8.128 -7.072 2.586 796 HG SER 104 HG SER 104 -7.921 -9.126 3.390 797 H CYS 105 HN CYS 105 -7.566 -4.738 5.714 798 HA CYS 105 HA CYS 105 -6.911 -5.519 8.299 799 HB2 CYS 105 HB2 CYS 105 -9.327 -3.824 7.929 800 HB3 CYS 105 HB1 CYS 105 -7.944 -3.587 8.982 801 H THR 106 HN THR 106 -8.506 -5.935 10.093 802 HA THR 106 HA THR 106 -9.821 -7.583 11.012 803 HB THR 106 HB THR 106 -11.397 -5.777 10.816 804 HG1 THR 106 HG1 THR 106 -13.283 -7.001 10.809 805 HG21 THR 106 HG21 THR 106 -11.951 -6.781 8.019 806 HG22 THR 106 HG22 THR 106 -11.176 -5.256 8.453 807 HG23 THR 106 HG23 THR 106 -12.872 -5.530 8.856 808 H ASP 107 HN ASP 107 -8.308 -8.529 8.737 809 HA ASP 107 HA ASP 107 -9.871 -10.902 8.167 810 HB2 ASP 107 HB2 ASP 107 -8.936 -9.004 6.013 811 HB3 ASP 107 HB1 ASP 107 -9.203 -10.716 5.690 812 H GLY 108 HN GLY 108 -6.834 -9.144 7.976 813 HA2 GLY 108 HA2 GLY 108 -5.032 -10.656 9.033 814 HA3 GLY 108 HA1 GLY 108 -5.396 -11.695 7.665 815 H GLU 109 HN GLU 109 -4.911 -8.177 8.007 816 HA GLU 109 HA GLU 109 -3.589 -7.886 5.548 817 HB2 GLU 109 HB2 GLU 109 -2.967 -5.664 6.321 818 HB3 GLU 109 HB1 GLU 109 -4.638 -6.014 6.757 819 HG2 GLU 109 HG2 GLU 109 -3.990 -6.494 9.028 820 HG3 GLU 109 HG1 GLU 109 -2.290 -6.283 8.617 821 H GLU 110 HN GLU 110 -1.402 -7.537 5.051 822 HA GLU 110 HA GLU 110 0.677 -7.766 6.954 823 HB2 GLU 110 HB2 GLU 110 1.624 -9.912 6.112 824 HB3 GLU 110 HB1 GLU 110 0.131 -10.085 7.025 825 HG2 GLU 110 HG2 GLU 110 -1.114 -10.206 4.933 826 HG3 GLU 110 HG1 GLU 110 0.402 -10.112 4.047 827 H ILE 111 HN ILE 111 -0.123 -8.432 3.570 828 HA ILE 111 HA ILE 111 1.689 -6.373 2.694 829 HB ILE 111 HB ILE 111 2.896 -7.872 1.112 830 HG12 ILE 111 HG12 ILE 111 3.059 -10.302 2.015 831 HG13 ILE 111 HG11 ILE 111 1.504 -9.953 2.766 832 HG21 ILE 111 HG21 ILE 111 3.751 -6.975 3.349 833 HG22 ILE 111 HG22 ILE 111 4.636 -8.304 2.588 834 HG23 ILE 111 HG23 ILE 111 3.537 -8.631 3.933 835 HD11 ILE 111 HD11 ILE 111 2.167 -10.538 0.006 836 HD12 ILE 111 HD12 ILE 111 1.154 -9.109 0.188 837 HD13 ILE 111 HD13 ILE 111 0.619 -10.649 0.853 838 H PHE 112 HN PHE 112 1.840 -6.514 0.153 839 HA PHE 112 HA PHE 112 -0.918 -6.801 -0.802 840 HB2 PHE 112 HB2 PHE 112 -0.286 -4.536 -0.923 841 HB3 PHE 112 HB1 PHE 112 1.315 -4.924 -1.531 842 HD1 PHE 112 HD2 PHE 112 -1.796 -6.375 -2.883 843 HD2 PHE 112 HD1 PHE 112 1.268 -3.476 -3.393 844 HE1 PHE 112 HE2 PHE 112 -2.568 -5.973 -5.180 845 HE2 PHE 112 HE1 PHE 112 0.501 -3.072 -5.689 846 HZ PHE 112 HZ PHE 112 -1.418 -4.318 -6.592 847 H ARG 113 HN ARG 113 -0.319 -9.192 -1.157 848 HA ARG 113 HA ARG 113 0.823 -9.438 -3.859 849 HB2 ARG 113 HB2 ARG 113 2.027 -11.350 -3.320 850 HB3 ARG 113 HB1 ARG 113 2.226 -10.375 -1.882 851 HG2 ARG 113 HG2 ARG 113 0.362 -11.648 -0.841 852 HG3 ARG 113 HG1 ARG 113 0.380 -12.715 -2.251 853 HD2 ARG 113 HD2 ARG 113 2.808 -13.115 -1.777 854 HD3 ARG 113 HD1 ARG 113 2.581 -12.230 -0.270 855 HE ARG 113 HE ARG 113 0.733 -14.400 -0.603 856 HH11 ARG 113 HH11 ARG 113 3.922 -13.509 0.487 857 HH12 ARG 113 HH12 ARG 113 4.073 -14.864 1.556 858 HH21 ARG 113 HH21 ARG 113 0.925 -16.184 0.801 859 HH22 ARG 113 HH22 ARG 113 2.370 -16.385 1.735 860 H GLY 114 HN GLY 114 -0.615 -10.194 -5.298 861 HA2 GLY 114 HA2 GLY 114 -2.117 -12.401 -5.305 862 HA3 GLY 114 HA1 GLY 114 -3.098 -11.346 -4.301 863 H ASN 115 HN ASN 115 -4.741 -10.522 -5.412 864 HA ASN 115 HA ASN 115 -4.249 -9.223 -7.952 865 HB2 ASN 115 HB2 ASN 115 -5.893 -11.716 -7.690 866 HB3 ASN 115 HB1 ASN 115 -6.275 -10.527 -8.928 867 HD21 ASN 115 HD21 ASN 115 -4.809 -10.169 -10.605 868 HD22 ASN 115 HD22 ASN 115 -3.549 -11.292 -10.971 869 H ASP 116 HN ASP 116 -5.379 -7.421 -8.086 870 HA ASP 116 HA ASP 116 -7.820 -7.160 -6.457 871 HB2 ASP 116 HB2 ASP 116 -7.202 -4.599 -7.073 872 HB3 ASP 116 HB1 ASP 116 -6.653 -5.394 -5.605 873 H ALA 117 HN ALA 117 -9.527 -5.812 -7.382 874 HA ALA 117 HA ALA 117 -9.488 -5.720 -10.325 875 HB1 ALA 117 HB1 ALA 117 -11.636 -6.690 -10.499 876 HB2 ALA 117 HB2 ALA 117 -11.899 -6.607 -8.754 877 HB3 ALA 117 HB3 ALA 117 -10.716 -7.740 -9.419 878 H GLU 118 HN GLU 118 -11.294 -4.423 -11.212 879 HA GLU 118 HA GLU 118 -12.280 -2.384 -11.439 880 HB2 GLU 118 HB2 GLU 118 -12.952 -3.072 -8.574 881 HB3 GLU 118 HB1 GLU 118 -13.671 -1.715 -9.441 882 HG2 GLU 118 HG2 GLU 118 -13.890 -4.622 -10.190 883 HG3 GLU 118 HG1 GLU 118 -15.145 -3.647 -9.428 884 H CYS 119 HN CYS 119 -9.731 -1.792 -11.367 885 HA CYS 119 HA CYS 119 -9.448 0.231 -9.231 886 HB2 CYS 119 HB2 CYS 119 -7.060 -0.894 -10.633 887 HB3 CYS 119 HB1 CYS 119 -7.177 -0.168 -9.041 888 H ARG 120 HN ARG 120 -8.681 2.189 -9.651 889 HA ARG 120 HA ARG 120 -7.937 2.982 -12.358 890 HB2 ARG 120 HB2 ARG 120 -9.561 4.607 -12.510 891 HB3 ARG 120 HB1 ARG 120 -10.439 3.337 -11.684 892 HG2 ARG 120 HG2 ARG 120 -10.944 4.802 -10.120 893 HG3 ARG 120 HG1 ARG 120 -9.243 4.795 -9.668 894 HD2 ARG 120 HD2 ARG 120 -9.684 7.043 -10.021 895 HD3 ARG 120 HD1 ARG 120 -8.928 6.513 -11.523 896 HE ARG 120 HE ARG 120 -11.728 6.279 -11.736 897 HH11 ARG 120 HH11 ARG 120 -9.205 8.681 -11.630 898 HH12 ARG 120 HH12 ARG 120 -10.102 9.849 -12.543 899 HH21 ARG 120 HH21 ARG 120 -12.916 7.812 -12.937 900 HH22 ARG 120 HH22 ARG 120 -12.210 9.355 -13.286 901 HA PRO 121 HA PRO 121 -4.793 5.317 -10.310 902 HB2 PRO 121 HB2 PRO 121 -5.490 7.452 -12.232 903 HB3 PRO 121 HB1 PRO 121 -3.921 6.710 -11.916 904 HG2 PRO 121 HG2 PRO 121 -5.250 6.136 -14.122 905 HG3 PRO 121 HG1 PRO 121 -4.477 4.824 -13.201 906 HD2 PRO 121 HD2 PRO 121 -7.369 5.660 -13.214 907 HD3 PRO 121 HD1 PRO 121 -6.662 4.055 -13.303 908 H PHE 122 HN PHE 122 -4.973 6.369 -8.447 909 HA PHE 122 HA PHE 122 -7.127 8.348 -8.144 910 HB2 PHE 122 HB2 PHE 122 -6.536 6.094 -6.606 911 HB3 PHE 122 HB1 PHE 122 -5.945 7.442 -5.654 912 HD1 PHE 122 HD2 PHE 122 -8.877 7.647 -7.909 913 HD2 PHE 122 HD1 PHE 122 -7.485 7.320 -3.907 914 HE1 PHE 122 HE2 PHE 122 -11.150 8.113 -7.086 915 HE2 PHE 122 HE1 PHE 122 -9.745 7.773 -3.072 916 HZ PHE 122 HZ PHE 122 -11.587 8.178 -4.661 917 H THR 123 HN THR 123 -6.726 10.334 -7.262 918 HA THR 123 HA THR 123 -3.919 10.972 -6.660 919 HB THR 123 HB THR 123 -4.239 13.186 -7.712 920 HG1 THR 123 HG1 THR 123 -6.286 13.686 -8.006 921 HG21 THR 123 HG21 THR 123 -4.075 12.438 -10.005 922 HG22 THR 123 HG22 THR 123 -4.810 10.892 -9.580 923 HG23 THR 123 HG23 THR 123 -3.220 11.317 -8.947 924 H GLY 124 HN GLY 124 -3.928 11.278 -4.539 925 HA2 GLY 124 HA2 GLY 124 -6.099 12.223 -3.014 926 HA3 GLY 124 HA1 GLY 124 -4.433 12.114 -2.473 Start of MODEL 11 1 H1 HIS 6 HT1 HIS 6 -22.879 4.311 -3.135 2 H2 HIS 6 HT2 HIS 6 -23.710 5.760 -2.865 3 H3 HIS 6 HT3 HIS 6 -23.702 4.556 -1.677 4 HA HIS 6 HA HIS 6 -21.346 6.086 -2.614 5 HB2 HIS 6 HB2 HIS 6 -22.934 7.397 -1.233 6 HB3 HIS 6 HB1 HIS 6 -22.813 6.180 0.034 7 HD1 HIS 6 HD1 HIS 6 -20.953 6.444 1.683 8 HD2 HIS 6 HD2 HIS 6 -20.443 8.833 -1.679 9 HE1 HIS 6 HE1 HIS 6 -18.983 7.920 2.198 10 HE2 HIS 6 HE2 HIS 6 -18.637 9.291 0.115 11 H ARG 7 HN ARG 7 -19.882 4.454 -2.814 12 HA ARG 7 HA ARG 7 -19.501 2.697 -0.481 13 HB2 ARG 7 HB2 ARG 7 -20.061 1.740 -2.838 14 HB3 ARG 7 HB1 ARG 7 -18.373 2.088 -3.186 15 HG2 ARG 7 HG2 ARG 7 -19.063 0.527 -0.742 16 HG3 ARG 7 HG1 ARG 7 -19.093 -0.264 -2.319 17 HD2 ARG 7 HD2 ARG 7 -16.751 1.166 -1.068 18 HD3 ARG 7 HD1 ARG 7 -16.929 -0.563 -1.270 19 HE ARG 7 HE ARG 7 -16.063 1.298 -3.239 20 HH11 ARG 7 HH11 ARG 7 -17.790 -1.698 -2.805 21 HH12 ARG 7 HH12 ARG 7 -17.425 -2.285 -4.393 22 HH21 ARG 7 HH21 ARG 7 -15.582 0.533 -5.330 23 HH22 ARG 7 HH22 ARG 7 -16.170 -1.019 -5.827 24 H SER 8 HN SER 8 -18.100 5.131 -2.439 25 HA SER 8 HA SER 8 -15.445 4.876 -2.470 26 HB2 SER 8 HB2 SER 8 -16.914 7.314 -1.432 27 HB3 SER 8 HB1 SER 8 -15.216 7.305 -1.915 28 HG SER 8 HG SER 8 -15.819 6.900 -4.002 29 H ALA 9 HN ALA 9 -14.505 3.571 -1.005 30 HA ALA 9 HA ALA 9 -14.873 3.604 1.757 31 HB1 ALA 9 HB1 ALA 9 -12.884 2.242 1.871 32 HB2 ALA 9 HB2 ALA 9 -12.416 2.738 0.244 33 HB3 ALA 9 HB3 ALA 9 -13.865 1.751 0.484 34 H ASN 10 HN ASN 10 -12.749 3.907 3.182 35 HA ASN 10 HA ASN 10 -12.306 6.742 3.195 36 HB2 ASN 10 HB2 ASN 10 -11.270 4.538 4.985 37 HB3 ASN 10 HB1 ASN 10 -10.996 6.256 5.264 38 HD21 ASN 10 HD21 ASN 10 -12.726 7.566 5.869 39 HD22 ASN 10 HD22 ASN 10 -14.193 6.907 6.500 40 H LEU 11 HN LEU 11 -11.208 5.653 0.847 41 HA LEU 11 HA LEU 11 -8.483 5.028 0.966 42 HB2 LEU 11 HB2 LEU 11 -9.767 6.712 -1.172 43 HB3 LEU 11 HB1 LEU 11 -8.354 5.700 -1.314 44 HG LEU 11 HG LEU 11 -10.941 4.435 -0.623 45 HD11 LEU 11 HD11 LEU 11 -11.437 5.959 -2.463 46 HD12 LEU 11 HD12 LEU 11 -11.517 4.268 -2.974 47 HD13 LEU 11 HD13 LEU 11 -10.108 5.253 -3.392 48 HD21 LEU 11 HD21 LEU 11 -10.017 2.548 -1.730 49 HD22 LEU 11 HD22 LEU 11 -8.741 3.209 -0.706 50 HD23 LEU 11 HD23 LEU 11 -8.729 3.519 -2.442 51 H ARG 12 HN ARG 12 -10.186 7.922 1.440 52 HA ARG 12 HA ARG 12 -8.175 9.805 0.848 53 HB2 ARG 12 HB2 ARG 12 -9.995 10.648 2.954 54 HB3 ARG 12 HB1 ARG 12 -9.780 11.303 1.339 55 HG2 ARG 12 HG2 ARG 12 -11.493 8.933 2.078 56 HG3 ARG 12 HG1 ARG 12 -12.070 10.554 1.699 57 HD2 ARG 12 HD2 ARG 12 -10.582 8.721 -0.190 58 HD3 ARG 12 HD1 ARG 12 -12.324 9.016 -0.207 59 HE ARG 12 HE ARG 12 -10.727 11.403 -0.450 60 HH11 ARG 12 HH11 ARG 12 -12.257 8.780 -2.163 61 HH12 ARG 12 HH12 ARG 12 -12.324 9.635 -3.667 62 HH21 ARG 12 HH21 ARG 12 -10.817 12.532 -2.424 63 HH22 ARG 12 HH22 ARG 12 -11.509 11.767 -3.816 64 H ALA 13 HN ALA 13 -8.992 7.944 3.678 65 HA ALA 13 HA ALA 13 -7.197 9.249 5.474 66 HB1 ALA 13 HB1 ALA 13 -8.327 6.459 5.594 67 HB2 ALA 13 HB2 ALA 13 -9.101 7.902 6.254 68 HB3 ALA 13 HB3 ALA 13 -7.572 7.338 6.922 69 H ALA 14 HN ALA 14 -7.064 6.538 3.314 70 HA ALA 14 HA ALA 14 -4.468 5.640 4.091 71 HB1 ALA 14 HB1 ALA 14 -6.326 4.292 2.992 72 HB2 ALA 14 HB2 ALA 14 -4.701 4.068 2.347 73 HB3 ALA 14 HB3 ALA 14 -5.860 5.080 1.480 74 H HIS 15 HN HIS 15 -5.799 7.669 1.577 75 HA HIS 15 HA HIS 15 -3.686 7.957 -0.117 76 HB2 HIS 15 HB2 HIS 15 -6.079 9.443 0.577 77 HB3 HIS 15 HB1 HIS 15 -4.758 10.531 0.187 78 HD1 HIS 15 HD1 HIS 15 -3.425 9.532 -2.137 79 HD2 HIS 15 HD2 HIS 15 -7.498 8.878 -1.642 80 HE1 HIS 15 HE1 HIS 15 -4.317 9.077 -4.432 81 HE2 HIS 15 HE2 HIS 15 -6.803 8.966 -4.132 82 H ALA 16 HN ALA 16 -4.225 9.304 3.063 83 HA ALA 16 HA ALA 16 -1.838 10.941 2.958 84 HB1 ALA 16 HB1 ALA 16 -3.759 11.815 4.160 85 HB2 ALA 16 HB2 ALA 16 -2.408 11.553 5.268 86 HB3 ALA 16 HB3 ALA 16 -3.752 10.411 5.230 87 H ALA 17 HN ALA 17 -2.845 7.806 4.128 88 HA ALA 17 HA ALA 17 -0.625 7.399 5.865 89 HB1 ALA 17 HB1 ALA 17 -2.478 5.436 4.550 90 HB2 ALA 17 HB2 ALA 17 -2.605 6.094 6.183 91 HB3 ALA 17 HB3 ALA 17 -1.264 5.021 5.767 92 H LEU 18 HN LEU 18 -1.396 5.920 2.699 93 HA LEU 18 HA LEU 18 1.131 4.832 2.218 94 HB2 LEU 18 HB2 LEU 18 -0.862 5.896 0.208 95 HB3 LEU 18 HB1 LEU 18 0.495 4.862 -0.179 96 HG LEU 18 HG LEU 18 -1.012 3.213 -0.091 97 HD11 LEU 18 HD11 LEU 18 -1.377 2.189 2.044 98 HD12 LEU 18 HD12 LEU 18 -0.982 3.695 2.871 99 HD13 LEU 18 HD13 LEU 18 0.265 2.830 1.972 100 HD21 LEU 18 HD21 LEU 18 -2.827 4.740 1.728 101 HD22 LEU 18 HD22 LEU 18 -3.231 3.484 0.555 102 HD23 LEU 18 HD23 LEU 18 -2.719 5.085 -0.001 103 H LEU 19 HN LEU 19 -0.087 8.039 2.009 104 HA LEU 19 HA LEU 19 2.079 9.134 0.464 105 HB2 LEU 19 HB2 LEU 19 0.079 10.378 0.395 106 HB3 LEU 19 HB1 LEU 19 -0.165 10.261 2.122 107 HG LEU 19 HG LEU 19 0.510 12.531 1.066 108 HD11 LEU 19 HD11 LEU 19 2.000 11.500 3.466 109 HD12 LEU 19 HD12 LEU 19 0.312 12.016 3.472 110 HD13 LEU 19 HD13 LEU 19 1.591 13.179 3.113 111 HD21 LEU 19 HD21 LEU 19 3.279 11.499 1.509 112 HD22 LEU 19 HD22 LEU 19 2.755 12.953 0.658 113 HD23 LEU 19 HD23 LEU 19 2.511 11.363 -0.072 114 H GLU 20 HN GLU 20 1.103 9.046 3.838 115 HA GLU 20 HA GLU 20 3.252 10.323 5.031 116 HB2 GLU 20 HB2 GLU 20 1.211 9.706 6.248 117 HB3 GLU 20 HB1 GLU 20 1.620 8.009 6.066 118 HG2 GLU 20 HG2 GLU 20 2.253 8.516 8.240 119 HG3 GLU 20 HG1 GLU 20 3.760 8.549 7.322 120 H ASN 21 HN ASN 21 2.891 7.187 3.667 121 HA ASN 21 HA ASN 21 5.387 6.154 4.691 122 HB2 ASN 21 HB2 ASN 21 4.033 4.339 4.296 123 HB3 ASN 21 HB1 ASN 21 3.168 5.127 2.985 124 HD21 ASN 21 HD21 ASN 21 3.951 5.006 0.909 125 HD22 ASN 21 HD22 ASN 21 5.203 3.904 0.452 126 H ALA 22 HN ALA 22 4.013 7.191 1.619 127 HA ALA 22 HA ALA 22 6.057 6.872 -0.134 128 HB1 ALA 22 HB1 ALA 22 4.281 9.307 0.012 129 HB2 ALA 22 HB2 ALA 22 3.829 7.758 -0.703 130 HB3 ALA 22 HB3 ALA 22 5.130 8.712 -1.416 131 H ARG 23 HN ARG 23 5.782 9.438 2.284 132 HA ARG 23 HA ARG 23 8.058 10.888 1.315 133 HB2 ARG 23 HB2 ARG 23 7.930 12.092 3.468 134 HB3 ARG 23 HB1 ARG 23 6.368 12.020 2.667 135 HG2 ARG 23 HG2 ARG 23 5.544 10.423 4.193 136 HG3 ARG 23 HG1 ARG 23 7.158 10.079 4.815 137 HD2 ARG 23 HD2 ARG 23 5.859 11.446 6.364 138 HD3 ARG 23 HD1 ARG 23 7.289 12.293 5.780 139 HE ARG 23 HE ARG 23 4.784 12.806 4.387 140 HH11 ARG 23 HH11 ARG 23 7.146 13.857 6.725 141 HH12 ARG 23 HH12 ARG 23 6.633 15.510 6.692 142 HH21 ARG 23 HH21 ARG 23 4.104 14.983 4.337 143 HH22 ARG 23 HH22 ARG 23 4.905 16.151 5.334 144 H PHE 24 HN PHE 24 7.466 8.647 3.995 145 HA PHE 24 HA PHE 24 10.119 8.463 4.888 146 HB2 PHE 24 HB2 PHE 24 7.596 7.056 5.306 147 HB3 PHE 24 HB1 PHE 24 8.965 5.959 5.353 148 HD1 PHE 24 HD2 PHE 24 10.835 6.435 6.976 149 HD2 PHE 24 HD1 PHE 24 7.103 8.476 7.086 150 HE1 PHE 24 HE2 PHE 24 11.290 7.133 9.292 151 HE2 PHE 24 HE1 PHE 24 7.550 9.179 9.400 152 HZ PHE 24 HZ PHE 24 9.645 8.506 10.508 153 H MET 25 HN MET 25 8.482 7.225 2.143 154 HA MET 25 HA MET 25 10.354 5.133 1.514 155 HB2 MET 25 HB2 MET 25 8.279 6.565 -0.184 156 HB3 MET 25 HB1 MET 25 9.211 5.178 -0.716 157 HG2 MET 25 HG2 MET 25 7.180 5.242 1.499 158 HG3 MET 25 HG1 MET 25 6.988 4.507 -0.086 159 HE1 MET 25 HE1 MET 25 8.919 2.801 3.624 160 HE2 MET 25 HE2 MET 25 7.991 4.290 3.422 161 HE3 MET 25 HE3 MET 25 9.700 4.247 2.988 162 H GLU 26 HN GLU 26 9.601 8.385 0.459 163 HA GLU 26 HA GLU 26 11.716 8.804 -1.313 164 HB2 GLU 26 HB2 GLU 26 9.717 10.404 0.149 165 HB3 GLU 26 HB1 GLU 26 11.182 11.281 -0.219 166 HG2 GLU 26 HG2 GLU 26 9.233 10.026 -2.113 167 HG3 GLU 26 HG1 GLU 26 9.699 11.718 -1.977 168 H GLN 27 HN GLN 27 11.521 8.649 2.108 169 HA GLN 27 HA GLN 27 13.987 10.048 2.630 170 HB2 GLN 27 HB2 GLN 27 12.138 8.484 4.392 171 HB3 GLN 27 HB1 GLN 27 13.593 9.250 4.971 172 HG2 GLN 27 HG2 GLN 27 12.738 11.319 4.746 173 HG3 GLN 27 HG1 GLN 27 11.610 10.865 3.493 174 HE21 GLN 27 HE21 GLN 27 9.860 11.811 4.503 175 HE22 GLN 27 HE22 GLN 27 9.168 11.189 5.958 176 H PHE 28 HN PHE 28 12.826 6.732 3.159 177 HA PHE 28 HA PHE 28 15.117 5.493 3.938 178 HB2 PHE 28 HB2 PHE 28 12.834 4.448 3.628 179 HB3 PHE 28 HB1 PHE 28 13.232 4.301 1.925 180 HD1 PHE 28 HD2 PHE 28 13.961 3.073 5.288 181 HD2 PHE 28 HD1 PHE 28 14.847 2.689 1.142 182 HE1 PHE 28 HE2 PHE 28 15.086 0.928 5.729 183 HE2 PHE 28 HE1 PHE 28 15.972 0.544 1.576 184 HZ PHE 28 HZ PHE 28 16.094 -0.337 3.873 185 H TYR 29 HN TYR 29 14.105 6.201 0.622 186 HA TYR 29 HA TYR 29 16.375 5.060 -0.656 187 HB2 TYR 29 HB2 TYR 29 14.291 5.539 -1.865 188 HB3 TYR 29 HB1 TYR 29 14.473 7.256 -1.544 189 HD1 TYR 29 HD1 TYR 29 15.806 4.408 -3.457 190 HD2 TYR 29 HD2 TYR 29 15.914 8.620 -2.887 191 HE1 TYR 29 HE1 TYR 29 17.033 4.652 -5.567 192 HE2 TYR 29 HE2 TYR 29 17.148 8.880 -5.000 193 HH TYR 29 HH TYR 29 17.450 6.371 -7.269 194 H ALA 30 HN ALA 30 15.502 8.324 0.393 195 HA ALA 30 HA ALA 30 17.820 9.661 -0.463 196 HB1 ALA 30 HB1 ALA 30 15.820 10.227 1.719 197 HB2 ALA 30 HB2 ALA 30 15.946 10.976 0.126 198 HB3 ALA 30 HB3 ALA 30 17.163 11.314 1.358 199 H LYS 31 HN LYS 31 17.300 7.405 2.008 200 HA LYS 31 HA LYS 31 19.736 8.166 3.456 201 HB2 LYS 31 HB2 LYS 31 17.569 6.204 4.235 202 HB3 LYS 31 HB1 LYS 31 18.928 6.693 5.235 203 HG2 LYS 31 HG2 LYS 31 17.964 8.642 5.827 204 HG3 LYS 31 HG1 LYS 31 17.200 8.869 4.253 205 HD2 LYS 31 HD2 LYS 31 15.400 7.458 4.795 206 HD3 LYS 31 HD1 LYS 31 16.263 6.743 6.158 207 HE2 LYS 31 HE2 LYS 31 14.409 8.415 6.684 208 HE3 LYS 31 HE1 LYS 31 15.962 8.648 7.491 209 HZ1 LYS 31 HZ1 LYS 31 15.059 10.097 5.059 210 HZ2 LYS 31 HZ2 LYS 31 16.515 10.349 5.882 211 HZ3 LYS 31 HZ3 LYS 31 15.046 10.725 6.631 212 H LYS 32 HN LYS 32 18.372 5.839 1.334 213 HA LYS 32 HA LYS 32 20.752 4.136 1.611 214 HB2 LYS 32 HB2 LYS 32 17.861 3.445 1.442 215 HB3 LYS 32 HB1 LYS 32 19.023 2.358 0.711 216 HG2 LYS 32 HG2 LYS 32 19.447 3.274 3.507 217 HG3 LYS 32 HG1 LYS 32 18.248 2.025 3.176 218 HD2 LYS 32 HD2 LYS 32 19.955 0.663 2.086 219 HD3 LYS 32 HD1 LYS 32 21.159 1.919 2.388 220 HE2 LYS 32 HE2 LYS 32 19.651 0.335 4.467 221 HE3 LYS 32 HE1 LYS 32 21.352 0.150 4.039 222 HZ1 LYS 32 HZ1 LYS 32 21.775 2.380 4.832 223 HZ2 LYS 32 HZ2 LYS 32 21.053 1.464 6.057 224 HZ3 LYS 32 HZ3 LYS 32 20.139 2.599 5.201 225 H GLY 33 HN GLY 33 18.095 3.794 -0.651 226 HA2 GLY 33 HA2 GLY 33 18.597 5.050 -2.895 227 HA3 GLY 33 HA1 GLY 33 19.988 3.974 -2.876 228 H SER 34 HN SER 34 17.954 2.135 -1.364 229 HA SER 34 HA SER 34 16.107 1.321 -3.384 230 HB2 SER 34 HB2 SER 34 18.095 0.346 -4.395 231 HB3 SER 34 HB1 SER 34 18.517 -0.439 -2.873 232 HG SER 34 HG SER 34 16.349 -0.991 -4.598 233 H PHE 35 HN PHE 35 14.692 -0.376 -2.635 234 HA PHE 35 HA PHE 35 14.680 -0.496 0.275 235 HB2 PHE 35 HB2 PHE 35 12.576 -0.825 -1.803 236 HB3 PHE 35 HB1 PHE 35 12.384 -1.721 -0.295 237 HD1 PHE 35 HD1 PHE 35 13.322 1.695 -1.439 238 HD2 PHE 35 HD2 PHE 35 11.268 -0.697 1.415 239 HE1 PHE 35 HE1 PHE 35 12.518 3.733 -0.322 240 HE2 PHE 35 HE2 PHE 35 10.454 1.335 2.536 241 HZ PHE 35 HZ PHE 35 11.080 3.551 1.666 242 H LYS 36 HN LYS 36 13.755 -3.015 -2.131 243 HA LYS 36 HA LYS 36 14.756 -4.989 -0.264 244 HB2 LYS 36 HB2 LYS 36 12.847 -5.727 -1.346 245 HB3 LYS 36 HB1 LYS 36 13.404 -5.218 -2.936 246 HG2 LYS 36 HG2 LYS 36 15.023 -7.023 -2.945 247 HG3 LYS 36 HG1 LYS 36 14.556 -7.478 -1.299 248 HD2 LYS 36 HD2 LYS 36 13.396 -8.979 -2.698 249 HD3 LYS 36 HD1 LYS 36 12.198 -7.772 -2.234 250 HE2 LYS 36 HE2 LYS 36 12.559 -6.609 -4.362 251 HE3 LYS 36 HE1 LYS 36 13.742 -7.833 -4.824 252 HZ1 LYS 36 HZ1 LYS 36 11.512 -8.200 -5.780 253 HZ2 LYS 36 HZ2 LYS 36 10.894 -8.410 -4.219 254 HZ3 LYS 36 HZ3 LYS 36 12.040 -9.495 -4.827 255 H LEU 37 HN LEU 37 16.481 -6.138 -0.370 256 HA LEU 37 HA LEU 37 18.641 -5.167 -2.063 257 HB2 LEU 37 HB2 LEU 37 19.859 -6.763 -0.315 258 HB3 LEU 37 HB1 LEU 37 19.408 -5.113 0.077 259 HG LEU 37 HG LEU 37 17.347 -5.940 1.193 260 HD11 LEU 37 HD11 LEU 37 18.210 -8.448 -0.024 261 HD12 LEU 37 HD12 LEU 37 16.589 -7.820 0.345 262 HD13 LEU 37 HD13 LEU 37 17.588 -8.542 1.622 263 HD21 LEU 37 HD21 LEU 37 19.551 -5.695 2.400 264 HD22 LEU 37 HD22 LEU 37 19.754 -7.438 2.217 265 HD23 LEU 37 HD23 LEU 37 18.394 -6.800 3.141 266 H THR 38 HN THR 38 16.779 -8.040 -1.422 267 HA THR 38 HA THR 38 18.034 -9.411 -3.669 268 HB THR 38 HB THR 38 19.229 -10.040 -1.473 269 HG1 THR 38 HG1 THR 38 18.347 -11.568 -3.545 270 HG21 THR 38 HG21 THR 38 17.110 -10.178 -0.151 271 HG22 THR 38 HG22 THR 38 18.105 -11.634 -0.044 272 HG23 THR 38 HG23 THR 38 16.676 -11.613 -1.083 273 H SER 39 HN SER 39 16.759 -11.189 -4.451 274 HA SER 39 HA SER 39 13.983 -10.805 -4.274 275 HB2 SER 39 HB2 SER 39 13.801 -12.928 -5.525 276 HB3 SER 39 HB1 SER 39 15.032 -11.878 -6.226 277 HG SER 39 HG SER 39 15.319 -14.273 -4.809 278 H THR 40 HN THR 40 12.544 -11.488 -2.923 279 HA THR 40 HA THR 40 11.426 -12.718 -1.383 280 HB THR 40 HB THR 40 12.102 -14.802 -0.538 281 HG1 THR 40 HG1 THR 40 14.115 -15.217 -0.069 282 HG21 THR 40 HG21 THR 40 12.659 -16.056 -2.522 283 HG22 THR 40 HG22 THR 40 13.273 -14.601 -3.307 284 HG23 THR 40 HG23 THR 40 11.551 -14.746 -2.940 285 H LYS 41 HN LYS 41 12.750 -10.353 -0.802 286 HA LYS 41 HA LYS 41 13.305 -10.764 2.060 287 HB2 LYS 41 HB2 LYS 41 15.303 -10.043 0.624 288 HB3 LYS 41 HB1 LYS 41 14.522 -8.475 0.505 289 HG2 LYS 41 HG2 LYS 41 14.861 -9.671 3.196 290 HG3 LYS 41 HG1 LYS 41 16.282 -9.042 2.382 291 HD2 LYS 41 HD2 LYS 41 13.909 -7.605 3.457 292 HD3 LYS 41 HD1 LYS 41 15.620 -7.185 3.545 293 HE2 LYS 41 HE2 LYS 41 15.499 -6.684 1.078 294 HE3 LYS 41 HE1 LYS 41 13.750 -6.832 1.219 295 HZ1 LYS 41 HZ1 LYS 41 14.310 -4.549 1.428 296 HZ2 LYS 41 HZ2 LYS 41 15.498 -4.869 2.590 297 HZ3 LYS 41 HZ3 LYS 41 13.865 -5.090 2.968 298 H TRP 42 HN TRP 42 12.570 -9.024 3.464 299 HA TRP 42 HA TRP 42 10.423 -7.458 2.198 300 HB2 TRP 42 HB2 TRP 42 10.315 -9.311 4.473 301 HB3 TRP 42 HB1 TRP 42 9.492 -7.775 4.720 302 HD1 TRP 42 HD1 TRP 42 8.802 -7.888 1.345 303 HE1 TRP 42 HE1 TRP 42 6.674 -9.184 0.745 304 HE3 TRP 42 HE3 TRP 42 8.240 -10.599 5.652 305 HZ2 TRP 42 HZ2 TRP 42 4.982 -11.069 1.911 306 HZ3 TRP 42 HZ3 TRP 42 6.323 -12.135 5.821 307 HH2 TRP 42 HH2 TRP 42 4.727 -12.368 3.986 308 HA PRO 43 HA PRO 43 12.790 -4.171 4.330 309 HB2 PRO 43 HB2 PRO 43 11.732 -2.193 2.743 310 HB3 PRO 43 HB1 PRO 43 13.185 -3.106 2.329 311 HG2 PRO 43 HG2 PRO 43 10.385 -3.454 1.359 312 HG3 PRO 43 HG1 PRO 43 11.911 -3.600 0.468 313 HD2 PRO 43 HD2 PRO 43 10.500 -5.753 1.324 314 HD3 PRO 43 HD1 PRO 43 12.275 -5.758 1.185 315 H GLU 44 HN GLU 44 11.950 -3.315 6.168 316 HA GLU 44 HA GLU 44 9.267 -3.536 6.864 317 HB2 GLU 44 HB2 GLU 44 11.216 -3.401 8.413 318 HB3 GLU 44 HB1 GLU 44 11.243 -1.675 8.100 319 HG2 GLU 44 HG2 GLU 44 8.811 -1.681 8.832 320 HG3 GLU 44 HG1 GLU 44 9.145 -3.282 9.485 321 H LEU 45 HN LEU 45 7.536 -2.312 6.622 322 HA LEU 45 HA LEU 45 7.795 0.217 5.207 323 HB2 LEU 45 HB2 LEU 45 5.418 0.113 4.812 324 HB3 LEU 45 HB1 LEU 45 6.194 -1.369 4.308 325 HG LEU 45 HG LEU 45 4.190 -2.066 5.243 326 HD11 LEU 45 HD11 LEU 45 6.135 -2.273 7.524 327 HD12 LEU 45 HD12 LEU 45 6.014 -3.371 6.147 328 HD13 LEU 45 HD13 LEU 45 4.680 -3.249 7.295 329 HD21 LEU 45 HD21 LEU 45 3.006 -0.594 6.374 330 HD22 LEU 45 HD22 LEU 45 4.448 0.292 6.878 331 HD23 LEU 45 HD23 LEU 45 3.903 -1.104 7.809 332 HA PRO 46 HA PRO 46 7.041 2.750 8.712 333 HB2 PRO 46 HB2 PRO 46 6.053 4.972 7.534 334 HB3 PRO 46 HB1 PRO 46 7.746 4.483 7.400 335 HG2 PRO 46 HG2 PRO 46 5.526 4.185 5.436 336 HG3 PRO 46 HG1 PRO 46 7.232 4.561 5.151 337 HD2 PRO 46 HD2 PRO 46 6.098 2.079 4.805 338 HD3 PRO 46 HD1 PRO 46 7.822 2.366 5.097 339 H VAL 47 HN VAL 47 4.304 3.783 6.670 340 HA VAL 47 HA VAL 47 2.568 3.778 8.956 341 HB VAL 47 HB VAL 47 2.354 5.393 6.998 342 HG11 VAL 47 HG11 VAL 47 2.512 3.775 5.196 343 HG12 VAL 47 HG12 VAL 47 0.996 4.671 5.114 344 HG13 VAL 47 HG13 VAL 47 1.009 3.023 5.739 345 HG21 VAL 47 HG21 VAL 47 -0.142 3.906 7.783 346 HG22 VAL 47 HG22 VAL 47 -0.031 5.574 7.218 347 HG23 VAL 47 HG23 VAL 47 0.664 5.122 8.774 348 H LYS 48 HN LYS 48 1.041 2.338 9.546 349 HA LYS 48 HA LYS 48 0.730 -0.053 7.865 350 HB2 LYS 48 HB2 LYS 48 0.598 -0.172 10.858 351 HB3 LYS 48 HB1 LYS 48 0.867 -1.482 9.716 352 HG2 LYS 48 HG2 LYS 48 3.036 -1.293 10.108 353 HG3 LYS 48 HG1 LYS 48 2.993 0.291 9.330 354 HD2 LYS 48 HD2 LYS 48 2.523 -0.258 12.261 355 HD3 LYS 48 HD1 LYS 48 3.993 0.420 11.559 356 HE2 LYS 48 HE2 LYS 48 2.632 2.318 10.700 357 HE3 LYS 48 HE1 LYS 48 1.242 1.660 11.569 358 HZ1 LYS 48 HZ1 LYS 48 3.793 2.583 12.785 359 HZ2 LYS 48 HZ2 LYS 48 2.504 1.895 13.637 360 HZ3 LYS 48 HZ3 LYS 48 2.302 3.381 12.859 361 H GLU 49 HN GLU 49 -0.800 2.566 9.049 362 HA GLU 49 HA GLU 49 -3.413 1.492 8.554 363 HB2 GLU 49 HB2 GLU 49 -2.952 0.676 10.864 364 HB3 GLU 49 HB1 GLU 49 -2.840 2.351 11.378 365 HG2 GLU 49 HG2 GLU 49 -5.138 2.737 10.727 366 HG3 GLU 49 HG1 GLU 49 -5.268 1.077 10.150 367 H ALA 50 HN ALA 50 -4.572 3.089 7.792 368 HA ALA 50 HA ALA 50 -3.839 5.876 8.188 369 HB1 ALA 50 HB1 ALA 50 -5.878 6.081 6.509 370 HB2 ALA 50 HB2 ALA 50 -5.487 4.384 6.208 371 HB3 ALA 50 HB3 ALA 50 -4.266 5.632 5.952 372 H GLY 51 HN GLY 51 -6.242 7.140 7.921 373 HA2 GLY 51 HA2 GLY 51 -7.322 6.882 10.554 374 HA3 GLY 51 HA1 GLY 51 -7.873 7.997 9.314 375 H GLY 52 HN GLY 52 -8.008 5.297 7.657 376 HA2 GLY 52 HA2 GLY 52 -10.370 4.072 8.815 377 HA3 GLY 52 HA1 GLY 52 -10.651 4.969 7.334 378 H PHE 53 HN PHE 53 -7.624 3.962 7.054 379 HA PHE 53 HA PHE 53 -8.300 1.351 5.874 380 HB2 PHE 53 HB2 PHE 53 -6.823 3.652 4.691 381 HB3 PHE 53 HB1 PHE 53 -6.167 2.054 4.396 382 HD1 PHE 53 HD1 PHE 53 -9.678 3.339 4.512 383 HD2 PHE 53 HD2 PHE 53 -6.626 1.426 2.263 384 HE1 PHE 53 HE1 PHE 53 -11.253 3.018 2.661 385 HE2 PHE 53 HE2 PHE 53 -8.199 1.092 0.407 386 HZ PHE 53 HZ PHE 53 -10.518 1.890 0.604 387 H CYS 54 HN CYS 54 -6.305 -0.031 5.641 388 HA CYS 54 HA CYS 54 -4.394 0.527 7.792 389 HB2 CYS 54 HB2 CYS 54 -6.185 -1.660 7.542 390 HB3 CYS 54 HB1 CYS 54 -4.550 -2.265 7.397 391 H ILE 55 HN ILE 55 -2.281 0.118 7.338 392 HA ILE 55 HA ILE 55 -1.754 -0.558 4.534 393 HB ILE 55 HB ILE 55 -0.192 1.300 6.310 394 HG12 ILE 55 HG12 ILE 55 -1.098 2.969 4.546 395 HG13 ILE 55 HG11 ILE 55 -2.286 1.720 4.203 396 HG21 ILE 55 HG21 ILE 55 1.331 0.415 4.764 397 HG22 ILE 55 HG22 ILE 55 0.821 1.955 4.068 398 HG23 ILE 55 HG23 ILE 55 0.149 0.443 3.455 399 HD11 ILE 55 HD11 ILE 55 -3.239 1.887 6.323 400 HD12 ILE 55 HD12 ILE 55 -2.975 3.545 5.787 401 HD13 ILE 55 HD13 ILE 55 -1.875 2.810 6.954 402 H ARG 56 HN ARG 56 0.131 -1.562 3.967 403 HA ARG 56 HA ARG 56 1.856 -2.740 5.960 404 HB2 ARG 56 HB2 ARG 56 -0.242 -4.264 4.568 405 HB3 ARG 56 HB1 ARG 56 1.362 -4.970 4.442 406 HG2 ARG 56 HG2 ARG 56 -0.071 -4.275 6.997 407 HG3 ARG 56 HG1 ARG 56 0.142 -5.891 6.320 408 HD2 ARG 56 HD2 ARG 56 2.563 -5.677 6.551 409 HD3 ARG 56 HD1 ARG 56 2.368 -4.049 7.201 410 HE ARG 56 HE ARG 56 0.889 -5.915 8.733 411 HH11 ARG 56 HH11 ARG 56 4.146 -4.839 8.119 412 HH12 ARG 56 HH12 ARG 56 4.729 -5.292 9.685 413 HH21 ARG 56 HH21 ARG 56 1.648 -6.513 10.800 414 HH22 ARG 56 HH22 ARG 56 3.309 -6.244 11.210 415 H MET 57 HN MET 57 3.518 -4.198 4.703 416 HA MET 57 HA MET 57 4.612 -2.507 2.673 417 HB2 MET 57 HB2 MET 57 5.871 -3.909 4.456 418 HB3 MET 57 HB1 MET 57 5.670 -5.235 3.316 419 HG2 MET 57 HG2 MET 57 6.599 -3.171 1.749 420 HG3 MET 57 HG1 MET 57 7.501 -2.994 3.256 421 HE1 MET 57 HE1 MET 57 7.449 -6.704 0.565 422 HE2 MET 57 HE2 MET 57 6.389 -5.302 0.439 423 HE3 MET 57 HE3 MET 57 6.167 -6.466 1.749 424 H SER 58 HN SER 58 5.158 -3.192 0.508 425 HA SER 58 HA SER 58 3.139 -4.153 -1.012 426 HB2 SER 58 HB2 SER 58 5.055 -3.106 -2.035 427 HB3 SER 58 HB1 SER 58 6.108 -4.435 -1.522 428 HG SER 58 HG SER 58 5.518 -4.691 -3.690 429 H GLY 59 HN GLY 59 3.437 -6.255 -2.501 430 HA2 GLY 59 HA2 GLY 59 2.449 -8.397 -1.148 431 HA3 GLY 59 HA1 GLY 59 3.232 -8.520 -2.702 432 H GLN 60 HN GLN 60 4.088 -10.481 -2.432 433 HA GLN 60 HA GLN 60 5.422 -11.405 -0.118 434 HB2 GLN 60 HB2 GLN 60 6.345 -13.148 -1.800 435 HB3 GLN 60 HB1 GLN 60 4.630 -13.116 -1.446 436 HG2 GLN 60 HG2 GLN 60 4.200 -11.894 -3.498 437 HG3 GLN 60 HG1 GLN 60 5.927 -11.849 -3.842 438 HE21 GLN 60 HE21 GLN 60 6.346 -14.570 -2.860 439 HE22 GLN 60 HE22 GLN 60 5.719 -15.618 -4.081 440 H ALA 61 HN ALA 61 7.521 -11.600 0.402 441 HA ALA 61 HA ALA 61 9.359 -9.679 -0.165 442 HB1 ALA 61 HB1 ALA 61 10.981 -11.028 0.877 443 HB2 ALA 61 HB2 ALA 61 10.171 -12.516 0.388 444 HB3 ALA 61 HB3 ALA 61 9.443 -11.476 1.613 445 H LYS 62 HN LYS 62 8.602 -12.475 -2.094 446 HA LYS 62 HA LYS 62 10.949 -12.388 -3.728 447 HB2 LYS 62 HB2 LYS 62 9.810 -14.466 -3.492 448 HB3 LYS 62 HB1 LYS 62 8.290 -13.755 -3.988 449 HG2 LYS 62 HG2 LYS 62 8.767 -14.686 -5.965 450 HG3 LYS 62 HG1 LYS 62 9.801 -13.275 -6.179 451 HD2 LYS 62 HD2 LYS 62 11.023 -15.305 -6.719 452 HD3 LYS 62 HD1 LYS 62 11.701 -14.547 -5.276 453 HE2 LYS 62 HE2 LYS 62 10.593 -16.127 -3.850 454 HE3 LYS 62 HE1 LYS 62 9.709 -16.809 -5.218 455 HZ1 LYS 62 HZ1 LYS 62 11.817 -17.560 -6.148 456 HZ2 LYS 62 HZ2 LYS 62 11.576 -18.203 -4.603 457 HZ3 LYS 62 HZ3 LYS 62 12.652 -16.917 -4.823 458 H GLY 63 HN GLY 63 7.720 -11.068 -3.892 459 HA2 GLY 63 HA2 GLY 63 8.366 -9.703 -6.416 460 HA3 GLY 63 HA1 GLY 63 6.739 -10.064 -5.864 461 H ILE 64 HN ILE 64 9.607 -8.488 -4.514 462 HA ILE 64 HA ILE 64 7.825 -6.386 -3.532 463 HB ILE 64 HB ILE 64 10.457 -7.354 -2.465 464 HG12 ILE 64 HG12 ILE 64 8.864 -8.777 -1.656 465 HG13 ILE 64 HG11 ILE 64 8.806 -7.522 -0.423 466 HG21 ILE 64 HG21 ILE 64 8.844 -4.946 -1.671 467 HG22 ILE 64 HG22 ILE 64 10.548 -5.013 -2.128 468 HG23 ILE 64 HG23 ILE 64 10.012 -5.724 -0.602 469 HD11 ILE 64 HD11 ILE 64 6.932 -6.507 -1.868 470 HD12 ILE 64 HD12 ILE 64 6.583 -7.932 -0.891 471 HD13 ILE 64 HD13 ILE 64 6.869 -8.105 -2.630 472 H LEU 65 HN LEU 65 8.158 -4.384 -3.665 473 HA LEU 65 HA LEU 65 8.838 -3.117 -5.853 474 HB2 LEU 65 HB2 LEU 65 9.525 -1.213 -4.177 475 HB3 LEU 65 HB1 LEU 65 7.864 -1.742 -4.347 476 HG LEU 65 HG LEU 65 8.395 -3.325 -2.419 477 HD11 LEU 65 HD11 LEU 65 10.742 -1.455 -2.295 478 HD12 LEU 65 HD12 LEU 65 10.761 -3.217 -2.357 479 HD13 LEU 65 HD13 LEU 65 10.189 -2.392 -0.906 480 HD21 LEU 65 HD21 LEU 65 7.526 -1.814 -0.937 481 HD22 LEU 65 HD22 LEU 65 7.188 -0.973 -2.453 482 HD23 LEU 65 HD23 LEU 65 8.592 -0.516 -1.482 483 H GLU 66 HN GLU 66 10.537 -2.149 -6.841 484 HA GLU 66 HA GLU 66 13.171 -2.119 -5.642 485 HB2 GLU 66 HB2 GLU 66 12.544 -3.829 -8.052 486 HB3 GLU 66 HB1 GLU 66 14.172 -3.281 -7.673 487 HG2 GLU 66 HG2 GLU 66 13.717 -4.353 -5.351 488 HG3 GLU 66 HG1 GLU 66 12.440 -5.220 -6.208 489 H GLY 67 HN GLY 67 13.864 -0.136 -6.064 490 HA2 GLY 67 HA2 GLY 67 14.334 1.795 -7.258 491 HA3 GLY 67 HA1 GLY 67 13.771 0.972 -8.716 492 H LYS 68 HN LYS 68 11.533 0.472 -6.435 493 HA LYS 68 HA LYS 68 9.987 2.930 -6.826 494 HB2 LYS 68 HB2 LYS 68 8.265 1.936 -7.959 495 HB3 LYS 68 HB1 LYS 68 9.508 0.787 -8.448 496 HG2 LYS 68 HG2 LYS 68 8.883 -0.698 -6.628 497 HG3 LYS 68 HG1 LYS 68 7.668 0.455 -6.088 498 HD2 LYS 68 HD2 LYS 68 6.375 0.129 -8.067 499 HD3 LYS 68 HD1 LYS 68 7.660 -0.830 -8.811 500 HE2 LYS 68 HE2 LYS 68 7.405 -2.486 -6.981 501 HE3 LYS 68 HE1 LYS 68 6.034 -1.550 -6.375 502 HZ1 LYS 68 HZ1 LYS 68 6.206 -2.823 -9.058 503 HZ2 LYS 68 HZ2 LYS 68 4.892 -1.936 -8.470 504 HZ3 LYS 68 HZ3 LYS 68 5.310 -3.407 -7.745 505 H PHE 69 HN PHE 69 8.814 3.415 -4.960 506 HA PHE 69 HA PHE 69 8.678 1.267 -2.945 507 HB2 PHE 69 HB2 PHE 69 8.583 4.025 -1.917 508 HB3 PHE 69 HB1 PHE 69 9.464 2.622 -1.313 509 HD1 PHE 69 HD2 PHE 69 11.314 1.863 -3.287 510 HD2 PHE 69 HD1 PHE 69 9.975 5.782 -2.340 511 HE1 PHE 69 HE2 PHE 69 13.381 2.794 -4.237 512 HE2 PHE 69 HE1 PHE 69 12.037 6.722 -3.290 513 HZ PHE 69 HZ PHE 69 13.737 5.227 -4.244 514 H THR 70 HN THR 70 6.628 0.628 -2.547 515 HA THR 70 HA THR 70 4.510 2.650 -2.541 516 HB THR 70 HB THR 70 4.031 0.094 -4.050 517 HG1 THR 70 HG1 THR 70 5.003 0.896 -5.771 518 HG21 THR 70 HG21 THR 70 2.720 2.838 -3.971 519 HG22 THR 70 HG22 THR 70 2.014 1.291 -3.493 520 HG23 THR 70 HG23 THR 70 2.336 1.627 -5.192 521 H LEU 71 HN LEU 71 2.814 2.242 -1.236 522 HA LEU 71 HA LEU 71 2.722 -0.358 0.138 523 HB2 LEU 71 HB2 LEU 71 2.267 2.397 1.261 524 HB3 LEU 71 HB1 LEU 71 1.758 0.939 2.080 525 HG LEU 71 HG LEU 71 4.492 2.032 1.682 526 HD11 LEU 71 HD11 LEU 71 3.235 2.401 3.758 527 HD12 LEU 71 HD12 LEU 71 4.712 1.475 4.016 528 HD13 LEU 71 HD13 LEU 71 3.152 0.656 3.998 529 HD21 LEU 71 HD21 LEU 71 4.919 -0.088 0.772 530 HD22 LEU 71 HD22 LEU 71 3.800 -0.887 1.874 531 HD23 LEU 71 HD23 LEU 71 5.333 -0.257 2.477 532 H LYS 72 HN LYS 72 0.691 -1.272 0.394 533 HA LYS 72 HA LYS 72 -1.512 0.241 -0.848 534 HB2 LYS 72 HB2 LYS 72 -0.960 -1.766 -2.126 535 HB3 LYS 72 HB1 LYS 72 -1.145 -2.757 -0.682 536 HG2 LYS 72 HG2 LYS 72 -3.449 -2.532 -0.658 537 HG3 LYS 72 HG1 LYS 72 -3.417 -1.075 -1.650 538 HD2 LYS 72 HD2 LYS 72 -2.645 -3.810 -2.653 539 HD3 LYS 72 HD1 LYS 72 -4.258 -3.118 -2.822 540 HE2 LYS 72 HE2 LYS 72 -3.167 -1.164 -3.987 541 HE3 LYS 72 HE1 LYS 72 -1.681 -2.114 -4.014 542 HZ1 LYS 72 HZ1 LYS 72 -3.229 -3.884 -5.092 543 HZ2 LYS 72 HZ2 LYS 72 -2.593 -2.632 -6.032 544 HZ3 LYS 72 HZ3 LYS 72 -4.190 -2.544 -5.480 545 H ALA 73 HN ALA 73 -3.048 0.864 0.349 546 HA ALA 73 HA ALA 73 -3.337 -0.165 3.060 547 HB1 ALA 73 HB1 ALA 73 -3.107 2.273 2.552 548 HB2 ALA 73 HB2 ALA 73 -4.555 1.862 3.485 549 HB3 ALA 73 HB3 ALA 73 -4.676 2.198 1.755 550 H VAL 74 HN VAL 74 -5.372 -0.744 3.891 551 HA VAL 74 HA VAL 74 -7.461 -1.367 1.935 552 HB VAL 74 HB VAL 74 -6.175 -3.244 3.893 553 HG11 VAL 74 HG11 VAL 74 -8.962 -3.301 2.789 554 HG12 VAL 74 HG12 VAL 74 -8.408 -3.641 4.429 555 HG13 VAL 74 HG13 VAL 74 -8.108 -4.802 3.136 556 HG21 VAL 74 HG21 VAL 74 -7.002 -3.746 1.051 557 HG22 VAL 74 HG22 VAL 74 -5.817 -4.618 2.029 558 HG23 VAL 74 HG23 VAL 74 -5.463 -2.983 1.462 559 H ALA 75 HN ALA 75 -9.456 -0.896 2.604 560 HA ALA 75 HA ALA 75 -9.969 0.755 4.727 561 HB1 ALA 75 HB1 ALA 75 -11.793 -1.137 3.269 562 HB2 ALA 75 HB2 ALA 75 -11.561 0.595 2.998 563 HB3 ALA 75 HB3 ALA 75 -12.366 0.033 4.462 564 H LEU 76 HN LEU 76 -10.596 0.576 6.785 565 HA LEU 76 HA LEU 76 -10.018 -1.853 8.176 566 HB2 LEU 76 HB2 LEU 76 -11.305 0.687 9.190 567 HB3 LEU 76 HB1 LEU 76 -10.562 -0.568 10.171 568 HG LEU 76 HG LEU 76 -9.065 1.059 8.129 569 HD11 LEU 76 HD11 LEU 76 -9.790 2.594 9.814 570 HD12 LEU 76 HD12 LEU 76 -8.079 2.241 10.070 571 HD13 LEU 76 HD13 LEU 76 -9.301 1.486 11.099 572 HD21 LEU 76 HD21 LEU 76 -8.048 -1.080 8.601 573 HD22 LEU 76 HD22 LEU 76 -8.149 -0.776 10.335 574 HD23 LEU 76 HD23 LEU 76 -7.089 0.209 9.328 575 H ASP 77 HN ASP 77 -12.769 -0.053 7.083 576 HA ASP 77 HA ASP 77 -14.634 -2.098 8.053 577 HB2 ASP 77 HB2 ASP 77 -15.492 0.312 6.479 578 HB3 ASP 77 HB1 ASP 77 -16.375 -0.580 7.712 579 H ARG 78 HN ARG 78 -12.604 -2.425 5.930 580 HA ARG 78 HA ARG 78 -13.532 -2.300 3.361 581 HB2 ARG 78 HB2 ARG 78 -11.885 -3.874 2.790 582 HB3 ARG 78 HB1 ARG 78 -11.247 -2.894 4.092 583 HG2 ARG 78 HG2 ARG 78 -10.899 -4.689 5.358 584 HG3 ARG 78 HG1 ARG 78 -12.564 -5.243 5.116 585 HD2 ARG 78 HD2 ARG 78 -11.860 -5.981 2.832 586 HD3 ARG 78 HD1 ARG 78 -10.195 -5.685 3.332 587 HE ARG 78 HE ARG 78 -11.332 -7.339 5.252 588 HH11 ARG 78 HH11 ARG 78 -10.586 -7.480 1.850 589 HH12 ARG 78 HH12 ARG 78 -10.355 -9.196 1.842 590 HH21 ARG 78 HH21 ARG 78 -11.031 -9.596 5.249 591 HH22 ARG 78 HH22 ARG 78 -10.608 -10.399 3.774 592 H GLU 79 HN GLU 79 -14.428 -4.662 5.804 593 HA GLU 79 HA GLU 79 -15.511 -6.645 4.195 594 HB2 GLU 79 HB2 GLU 79 -16.898 -5.607 6.666 595 HB3 GLU 79 HB1 GLU 79 -16.893 -7.251 6.042 596 HG2 GLU 79 HG2 GLU 79 -14.479 -7.392 6.557 597 HG3 GLU 79 HG1 GLU 79 -14.577 -5.788 7.283 598 H ALA 80 HN ALA 80 -16.485 -3.463 4.875 599 HA ALA 80 HA ALA 80 -18.957 -3.680 3.343 600 HB1 ALA 80 HB1 ALA 80 -19.360 -1.378 4.328 601 HB2 ALA 80 HB2 ALA 80 -17.926 -1.662 5.324 602 HB3 ALA 80 HB3 ALA 80 -19.333 -2.719 5.475 603 H GLU 81 HN GLU 81 -15.745 -2.368 3.318 604 HA GLU 81 HA GLU 81 -16.318 -0.941 0.793 605 HB2 GLU 81 HB2 GLU 81 -14.095 -0.077 2.588 606 HB3 GLU 81 HB1 GLU 81 -15.004 0.849 1.402 607 HG2 GLU 81 HG2 GLU 81 -16.067 -0.089 4.054 608 HG3 GLU 81 HG1 GLU 81 -15.477 1.535 3.705 609 HA PRO 82 HA PRO 82 -13.181 -4.274 -0.087 610 HB2 PRO 82 HB2 PRO 82 -13.844 -4.296 -2.783 611 HB3 PRO 82 HB1 PRO 82 -14.525 -5.380 -1.567 612 HG2 PRO 82 HG2 PRO 82 -15.661 -2.878 -2.735 613 HG3 PRO 82 HG1 PRO 82 -16.485 -4.378 -2.272 614 HD2 PRO 82 HD2 PRO 82 -16.595 -2.155 -0.760 615 HD3 PRO 82 HD1 PRO 82 -16.577 -3.777 -0.039 616 H ARG 83 HN ARG 83 -13.774 -1.079 -1.172 617 HA ARG 83 HA ARG 83 -11.840 -0.710 -3.123 618 HB2 ARG 83 HB2 ARG 83 -13.045 1.132 -1.104 619 HB3 ARG 83 HB1 ARG 83 -11.759 1.694 -2.162 620 HG2 ARG 83 HG2 ARG 83 -13.195 0.812 -4.076 621 HG3 ARG 83 HG1 ARG 83 -14.498 0.737 -2.889 622 HD2 ARG 83 HD2 ARG 83 -14.223 3.119 -2.429 623 HD3 ARG 83 HD1 ARG 83 -12.915 3.201 -3.607 624 HE ARG 83 HE ARG 83 -15.382 2.202 -4.690 625 HH11 ARG 83 HH11 ARG 83 -13.538 5.065 -3.950 626 HH12 ARG 83 HH12 ARG 83 -14.347 6.045 -5.126 627 HH21 ARG 83 HH21 ARG 83 -16.452 3.486 -6.241 628 HH22 ARG 83 HH22 ARG 83 -16.003 5.149 -6.427 629 H VAL 84 HN VAL 84 -9.765 -0.375 -3.191 630 HA VAL 84 HA VAL 84 -8.212 -0.357 -0.686 631 HB VAL 84 HB VAL 84 -6.751 -1.573 -2.866 632 HG11 VAL 84 HG11 VAL 84 -5.806 -2.465 -1.089 633 HG12 VAL 84 HG12 VAL 84 -7.271 -3.409 -0.796 634 HG13 VAL 84 HG13 VAL 84 -7.084 -1.815 -0.062 635 HG21 VAL 84 HG21 VAL 84 -7.973 -3.534 -3.285 636 HG22 VAL 84 HG22 VAL 84 -9.152 -2.228 -3.459 637 HG23 VAL 84 HG23 VAL 84 -9.111 -3.194 -1.980 638 H LEU 85 HN LEU 85 -6.043 0.656 -0.922 639 HA LEU 85 HA LEU 85 -5.772 2.302 -3.336 640 HB2 LEU 85 HB2 LEU 85 -6.916 3.597 -1.498 641 HB3 LEU 85 HB1 LEU 85 -5.430 3.470 -0.581 642 HG LEU 85 HG LEU 85 -4.327 4.578 -2.648 643 HD11 LEU 85 HD11 LEU 85 -5.955 6.173 -3.762 644 HD12 LEU 85 HD12 LEU 85 -7.245 5.125 -3.156 645 HD13 LEU 85 HD13 LEU 85 -6.025 4.483 -4.270 646 HD21 LEU 85 HD21 LEU 85 -5.037 6.849 -1.800 647 HD22 LEU 85 HD22 LEU 85 -4.370 5.743 -0.600 648 HD23 LEU 85 HD23 LEU 85 -6.114 5.999 -0.690 649 H ARG 86 HN ARG 86 -3.675 3.315 -3.533 650 HA ARG 86 HA ARG 86 -1.493 2.265 -1.928 651 HB2 ARG 86 HB2 ARG 86 -0.708 0.762 -3.399 652 HB3 ARG 86 HB1 ARG 86 -2.157 0.977 -4.343 653 HG2 ARG 86 HG2 ARG 86 -1.089 2.694 -5.664 654 HG3 ARG 86 HG1 ARG 86 0.361 2.581 -4.667 655 HD2 ARG 86 HD2 ARG 86 0.755 0.324 -5.399 656 HD3 ARG 86 HD1 ARG 86 -0.780 0.292 -6.262 657 HE ARG 86 HE ARG 86 0.764 2.406 -7.257 658 HH11 ARG 86 HH11 ARG 86 0.738 -1.076 -7.199 659 HH12 ARG 86 HH12 ARG 86 1.577 -1.236 -8.706 660 HH21 ARG 86 HH21 ARG 86 1.868 2.206 -9.244 661 HH22 ARG 86 HH22 ARG 86 2.220 0.629 -9.868 662 H LEU 87 HN LEU 87 0.383 3.563 -2.087 663 HA LEU 87 HA LEU 87 0.394 5.734 -4.011 664 HB2 LEU 87 HB2 LEU 87 -0.917 6.520 -1.990 665 HB3 LEU 87 HB1 LEU 87 0.560 6.346 -1.071 666 HG LEU 87 HG LEU 87 1.611 8.143 -2.117 667 HD11 LEU 87 HD11 LEU 87 1.379 7.897 -4.392 668 HD12 LEU 87 HD12 LEU 87 0.293 9.259 -4.103 669 HD13 LEU 87 HD13 LEU 87 -0.360 7.632 -4.293 670 HD21 LEU 87 HD21 LEU 87 -0.223 8.768 -0.589 671 HD22 LEU 87 HD22 LEU 87 -1.305 8.896 -1.976 672 HD23 LEU 87 HD23 LEU 87 0.077 9.982 -1.833 673 H ASN 88 HN ASN 88 2.385 5.994 -4.744 674 HA ASN 88 HA ASN 88 4.568 4.782 -3.199 675 HB2 ASN 88 HB2 ASN 88 5.817 4.971 -5.426 676 HB3 ASN 88 HB1 ASN 88 4.497 3.810 -5.333 677 HD21 ASN 88 HD21 ASN 88 4.107 7.285 -5.621 678 HD22 ASN 88 HD22 ASN 88 3.427 7.261 -7.208 679 H GLU 89 HN GLU 89 6.803 5.890 -4.013 680 HA GLU 89 HA GLU 89 6.976 8.336 -2.630 681 HB2 GLU 89 HB2 GLU 89 9.247 8.305 -3.136 682 HB3 GLU 89 HB1 GLU 89 8.805 6.606 -3.174 683 HG2 GLU 89 HG2 GLU 89 9.146 8.396 -5.567 684 HG3 GLU 89 HG1 GLU 89 10.283 7.171 -5.011 685 H SER 90 HN SER 90 6.166 7.586 -5.882 686 HA SER 90 HA SER 90 6.772 10.205 -6.947 687 HB2 SER 90 HB2 SER 90 6.922 8.209 -8.401 688 HB3 SER 90 HB1 SER 90 5.199 7.916 -8.165 689 HG SER 90 HG SER 90 5.772 10.457 -9.010 690 H LEU 91 HN LEU 91 4.693 9.255 -4.801 691 HA LEU 91 HA LEU 91 2.703 9.913 -4.008 692 HB2 LEU 91 HB2 LEU 91 3.587 12.263 -5.598 693 HB3 LEU 91 HB1 LEU 91 2.082 12.293 -4.696 694 HG LEU 91 HG LEU 91 4.551 13.004 -3.743 695 HD11 LEU 91 HD11 LEU 91 3.467 13.254 -1.623 696 HD12 LEU 91 HD12 LEU 91 2.231 12.079 -2.075 697 HD13 LEU 91 HD13 LEU 91 2.310 13.637 -2.899 698 HD21 LEU 91 HD21 LEU 91 3.906 10.373 -2.444 699 HD22 LEU 91 HD22 LEU 91 5.273 11.436 -2.102 700 HD23 LEU 91 HD23 LEU 91 5.181 10.586 -3.645 701 H THR 92 HN THR 92 2.839 8.451 -6.561 702 HA THR 92 HA THR 92 0.329 9.248 -7.847 703 HB THR 92 HB THR 92 2.417 7.208 -8.621 704 HG1 THR 92 HG1 THR 92 3.164 9.159 -9.253 705 HG21 THR 92 HG21 THR 92 1.115 6.910 -10.695 706 HG22 THR 92 HG22 THR 92 -0.149 7.947 -10.035 707 HG23 THR 92 HG23 THR 92 0.210 6.399 -9.270 708 H ALA 93 HN ALA 93 -1.454 8.374 -7.001 709 HA ALA 93 HA ALA 93 -1.220 5.788 -5.619 710 HB1 ALA 93 HB1 ALA 93 -3.097 6.368 -4.341 711 HB2 ALA 93 HB2 ALA 93 -3.555 7.661 -5.446 712 HB3 ALA 93 HB3 ALA 93 -2.126 7.840 -4.423 713 H VAL 94 HN VAL 94 -2.789 4.237 -5.812 714 HA VAL 94 HA VAL 94 -4.678 4.471 -8.025 715 HB VAL 94 HB VAL 94 -2.695 3.295 -8.967 716 HG11 VAL 94 HG11 VAL 94 -2.464 2.100 -6.537 717 HG12 VAL 94 HG12 VAL 94 -1.703 1.509 -8.013 718 HG13 VAL 94 HG13 VAL 94 -3.233 0.818 -7.474 719 HG21 VAL 94 HG21 VAL 94 -5.272 1.757 -8.653 720 HG22 VAL 94 HG22 VAL 94 -3.988 1.260 -9.756 721 HG23 VAL 94 HG23 VAL 94 -4.793 2.814 -9.986 722 H VAL 95 HN VAL 95 -6.549 3.769 -7.583 723 HA VAL 95 HA VAL 95 -6.977 2.329 -5.080 724 HB VAL 95 HB VAL 95 -8.078 4.428 -5.105 725 HG11 VAL 95 HG11 VAL 95 -9.295 3.649 -7.756 726 HG12 VAL 95 HG12 VAL 95 -7.896 4.720 -7.569 727 HG13 VAL 95 HG13 VAL 95 -9.475 5.190 -6.915 728 HG21 VAL 95 HG21 VAL 95 -10.405 3.820 -4.889 729 HG22 VAL 95 HG22 VAL 95 -9.408 2.500 -4.269 730 HG23 VAL 95 HG23 VAL 95 -10.154 2.371 -5.863 731 H CYS 96 HN CYS 96 -8.351 0.603 -4.963 732 HA CYS 96 HA CYS 96 -9.194 -0.612 -7.497 733 HB2 CYS 96 HB2 CYS 96 -8.014 -1.855 -5.021 734 HB3 CYS 96 HB1 CYS 96 -9.016 -2.795 -6.118 735 H GLY 97 HN GLY 97 -11.118 -1.872 -7.392 736 HA2 GLY 97 HA2 GLY 97 -12.946 -0.858 -5.326 737 HA3 GLY 97 HA1 GLY 97 -13.429 -1.334 -6.951 738 H LYS 98 HN LYS 98 -11.145 -3.409 -6.032 739 HA LYS 98 HA LYS 98 -12.752 -5.203 -4.445 740 HB2 LYS 98 HB2 LYS 98 -13.183 -5.375 -7.071 741 HB3 LYS 98 HB1 LYS 98 -11.730 -6.341 -6.995 742 HG2 LYS 98 HG2 LYS 98 -14.334 -6.820 -5.588 743 HG3 LYS 98 HG1 LYS 98 -13.598 -7.796 -6.861 744 HD2 LYS 98 HD2 LYS 98 -12.794 -9.069 -5.192 745 HD3 LYS 98 HD1 LYS 98 -11.660 -7.750 -4.895 746 HE2 LYS 98 HE2 LYS 98 -12.729 -8.331 -2.827 747 HE3 LYS 98 HE1 LYS 98 -13.301 -6.744 -3.345 748 HZ1 LYS 98 HZ1 LYS 98 -15.109 -8.144 -2.540 749 HZ2 LYS 98 HZ2 LYS 98 -14.767 -9.302 -3.725 750 HZ3 LYS 98 HZ3 LYS 98 -15.315 -7.767 -4.177 751 H MET 99 HN MET 99 -11.458 -6.216 -3.078 752 HA MET 99 HA MET 99 -8.626 -6.530 -3.812 753 HB2 MET 99 HB2 MET 99 -9.402 -4.903 -1.871 754 HB3 MET 99 HB1 MET 99 -9.448 -6.396 -0.953 755 HG2 MET 99 HG2 MET 99 -7.037 -6.446 -2.349 756 HG3 MET 99 HG1 MET 99 -7.197 -4.807 -1.716 757 HE1 MET 99 HE1 MET 99 -7.296 -8.556 -0.954 758 HE2 MET 99 HE2 MET 99 -8.786 -7.988 -0.204 759 HE3 MET 99 HE3 MET 99 -7.474 -8.614 0.803 760 H LYS 100 HN LYS 100 -8.321 -8.564 -4.319 761 HA LYS 100 HA LYS 100 -9.894 -10.652 -3.046 762 HB2 LYS 100 HB2 LYS 100 -7.809 -10.949 -5.208 763 HB3 LYS 100 HB1 LYS 100 -9.044 -12.115 -4.751 764 HG2 LYS 100 HG2 LYS 100 -10.784 -10.653 -5.562 765 HG3 LYS 100 HG1 LYS 100 -9.597 -9.398 -5.922 766 HD2 LYS 100 HD2 LYS 100 -8.527 -10.905 -7.546 767 HD3 LYS 100 HD1 LYS 100 -9.753 -12.127 -7.204 768 HE2 LYS 100 HE2 LYS 100 -10.284 -9.368 -8.306 769 HE3 LYS 100 HE1 LYS 100 -10.248 -10.857 -9.251 770 HZ1 LYS 100 HZ1 LYS 100 -12.127 -10.305 -7.016 771 HZ2 LYS 100 HZ2 LYS 100 -12.121 -11.680 -8.001 772 HZ3 LYS 100 HZ3 LYS 100 -12.507 -10.171 -8.660 773 H GLY 101 HN GLY 101 -6.427 -10.546 -3.904 774 HA2 GLY 101 HA2 GLY 101 -5.812 -12.324 -1.704 775 HA3 GLY 101 HA1 GLY 101 -4.679 -11.703 -2.893 776 H LYS 102 HN LYS 102 -3.249 -10.268 -2.216 777 HA LYS 102 HA LYS 102 -2.024 -9.067 -0.682 778 HB2 LYS 102 HB2 LYS 102 -4.030 -7.132 -0.014 779 HB3 LYS 102 HB1 LYS 102 -2.662 -6.969 -1.105 780 HG2 LYS 102 HG2 LYS 102 -4.982 -8.404 -2.183 781 HG3 LYS 102 HG1 LYS 102 -5.229 -6.700 -1.834 782 HD2 LYS 102 HD2 LYS 102 -4.523 -6.778 -4.069 783 HD3 LYS 102 HD1 LYS 102 -3.100 -6.283 -3.153 784 HE2 LYS 102 HE2 LYS 102 -2.229 -8.535 -3.228 785 HE3 LYS 102 HE1 LYS 102 -3.697 -9.106 -4.019 786 HZ1 LYS 102 HZ1 LYS 102 -1.906 -8.791 -5.604 787 HZ2 LYS 102 HZ2 LYS 102 -1.764 -7.165 -5.163 788 HZ3 LYS 102 HZ3 LYS 102 -3.172 -7.714 -5.922 789 H GLY 103 HN GLY 103 -3.296 -7.344 1.381 790 HA2 GLY 103 HA2 GLY 103 -4.282 -9.333 3.305 791 HA3 GLY 103 HA1 GLY 103 -2.881 -8.354 3.724 792 H SER 104 HN SER 104 -5.592 -8.491 4.939 793 HA SER 104 HA SER 104 -6.184 -5.629 4.761 794 HB2 SER 104 HB2 SER 104 -8.316 -7.729 4.972 795 HB3 SER 104 HB1 SER 104 -8.526 -6.007 4.707 796 HG SER 104 HG SER 104 -7.072 -6.612 2.747 797 H CYS 105 HN CYS 105 -6.739 -4.626 6.620 798 HA CYS 105 HA CYS 105 -6.012 -5.787 9.080 799 HB2 CYS 105 HB2 CYS 105 -6.863 -3.199 8.176 800 HB3 CYS 105 HB1 CYS 105 -7.792 -3.632 9.605 801 H THR 106 HN THR 106 -7.818 -5.416 10.970 802 HA THR 106 HA THR 106 -9.744 -6.131 11.962 803 HB THR 106 HB THR 106 -11.749 -6.342 10.837 804 HG1 THR 106 HG1 THR 106 -11.653 -7.965 9.454 805 HG21 THR 106 HG21 THR 106 -11.016 -4.995 8.447 806 HG22 THR 106 HG22 THR 106 -9.964 -4.406 9.740 807 HG23 THR 106 HG23 THR 106 -11.715 -4.316 9.922 808 H ASP 107 HN ASP 107 -8.456 -8.115 9.353 809 HA ASP 107 HA ASP 107 -9.081 -10.522 10.917 810 HB2 ASP 107 HB2 ASP 107 -10.068 -10.522 8.678 811 HB3 ASP 107 HB1 ASP 107 -8.482 -10.248 7.962 812 H GLY 108 HN GLY 108 -6.552 -9.004 8.934 813 HA2 GLY 108 HA2 GLY 108 -4.400 -9.278 10.509 814 HA3 GLY 108 HA1 GLY 108 -4.572 -10.908 9.878 815 H GLU 109 HN GLU 109 -4.291 -7.520 8.834 816 HA GLU 109 HA GLU 109 -3.628 -8.074 6.153 817 HB2 GLU 109 HB2 GLU 109 -2.908 -5.785 6.009 818 HB3 GLU 109 HB1 GLU 109 -4.339 -5.843 7.030 819 HG2 GLU 109 HG2 GLU 109 -2.976 -5.671 9.013 820 HG3 GLU 109 HG1 GLU 109 -1.509 -5.726 8.040 821 H GLU 110 HN GLU 110 -1.576 -8.073 5.090 822 HA GLU 110 HA GLU 110 0.761 -8.256 6.803 823 HB2 GLU 110 HB2 GLU 110 1.504 -10.350 5.715 824 HB3 GLU 110 HB1 GLU 110 0.064 -10.535 6.710 825 HG2 GLU 110 HG2 GLU 110 -1.291 -10.319 4.649 826 HG3 GLU 110 HG1 GLU 110 0.209 -10.366 3.729 827 H ILE 111 HN ILE 111 -0.202 -8.707 3.387 828 HA ILE 111 HA ILE 111 1.613 -6.600 2.602 829 HB ILE 111 HB ILE 111 2.764 -8.049 0.910 830 HG12 ILE 111 HG12 ILE 111 2.912 -10.504 1.742 831 HG13 ILE 111 HG11 ILE 111 1.370 -10.159 2.523 832 HG21 ILE 111 HG21 ILE 111 3.399 -8.872 3.723 833 HG22 ILE 111 HG22 ILE 111 3.714 -7.244 3.115 834 HG23 ILE 111 HG23 ILE 111 4.508 -8.633 2.368 835 HD11 ILE 111 HD11 ILE 111 1.996 -9.980 -0.405 836 HD12 ILE 111 HD12 ILE 111 0.452 -9.531 0.338 837 HD13 ILE 111 HD13 ILE 111 1.014 -11.203 0.404 838 H PHE 112 HN PHE 112 1.754 -6.577 0.091 839 HA PHE 112 HA PHE 112 -0.991 -6.753 -0.927 840 HB2 PHE 112 HB2 PHE 112 -0.507 -4.510 -1.004 841 HB3 PHE 112 HB1 PHE 112 1.211 -4.771 -1.217 842 HD1 PHE 112 HD2 PHE 112 -1.570 -6.007 -3.364 843 HD2 PHE 112 HD1 PHE 112 1.729 -3.358 -2.972 844 HE1 PHE 112 HE2 PHE 112 -1.790 -5.395 -5.735 845 HE2 PHE 112 HE1 PHE 112 1.516 -2.734 -5.345 846 HZ PHE 112 HZ PHE 112 -0.245 -3.757 -6.729 847 H ARG 113 HN ARG 113 -0.418 -9.097 -1.372 848 HA ARG 113 HA ARG 113 0.706 -9.272 -4.071 849 HB2 ARG 113 HB2 ARG 113 2.014 -11.098 -3.611 850 HB3 ARG 113 HB1 ARG 113 2.130 -10.257 -2.080 851 HG2 ARG 113 HG2 ARG 113 0.275 -11.689 -1.235 852 HG3 ARG 113 HG1 ARG 113 0.397 -12.624 -2.733 853 HD2 ARG 113 HD2 ARG 113 2.937 -12.681 -2.049 854 HD3 ARG 113 HD1 ARG 113 2.267 -12.408 -0.444 855 HE ARG 113 HE ARG 113 0.937 -14.543 -1.766 856 HH11 ARG 113 HH11 ARG 113 3.864 -13.733 -0.056 857 HH12 ARG 113 HH12 ARG 113 4.171 -15.360 0.451 858 HH21 ARG 113 HH21 ARG 113 1.336 -16.689 -1.108 859 HH22 ARG 113 HH22 ARG 113 2.735 -17.042 -0.148 860 H GLY 114 HN GLY 114 -0.501 -10.388 -5.516 861 HA2 GLY 114 HA2 GLY 114 -2.003 -12.496 -5.554 862 HA3 GLY 114 HA1 GLY 114 -3.009 -11.524 -4.490 863 H ASN 115 HN ASN 115 -4.630 -10.519 -5.462 864 HA ASN 115 HA ASN 115 -4.236 -9.207 -7.998 865 HB2 ASN 115 HB2 ASN 115 -5.941 -11.661 -7.726 866 HB3 ASN 115 HB1 ASN 115 -6.317 -10.434 -8.931 867 HD21 ASN 115 HD21 ASN 115 -4.873 -10.080 -10.635 868 HD22 ASN 115 HD22 ASN 115 -3.674 -11.247 -11.065 869 H ASP 116 HN ASP 116 -5.518 -7.511 -8.279 870 HA ASP 116 HA ASP 116 -7.833 -7.195 -6.486 871 HB2 ASP 116 HB2 ASP 116 -7.043 -4.622 -7.170 872 HB3 ASP 116 HB1 ASP 116 -6.784 -5.397 -5.614 873 H ALA 117 HN ALA 117 -9.625 -6.085 -7.376 874 HA ALA 117 HA ALA 117 -9.568 -5.883 -10.319 875 HB1 ALA 117 HB1 ALA 117 -11.962 -6.716 -8.693 876 HB2 ALA 117 HB2 ALA 117 -10.831 -7.864 -9.422 877 HB3 ALA 117 HB3 ALA 117 -11.765 -6.772 -10.449 878 H GLU 118 HN GLU 118 -11.290 -4.536 -11.220 879 HA GLU 118 HA GLU 118 -12.226 -2.478 -11.463 880 HB2 GLU 118 HB2 GLU 118 -12.954 -3.159 -8.610 881 HB3 GLU 118 HB1 GLU 118 -13.633 -1.783 -9.485 882 HG2 GLU 118 HG2 GLU 118 -13.941 -4.705 -10.128 883 HG3 GLU 118 HG1 GLU 118 -15.188 -3.590 -9.569 884 H CYS 119 HN CYS 119 -9.666 -1.947 -11.354 885 HA CYS 119 HA CYS 119 -9.382 0.082 -9.227 886 HB2 CYS 119 HB2 CYS 119 -6.991 -1.096 -10.580 887 HB3 CYS 119 HB1 CYS 119 -7.114 -0.326 -9.011 888 H ARG 120 HN ARG 120 -8.583 2.017 -9.649 889 HA ARG 120 HA ARG 120 -7.770 2.780 -12.313 890 HB2 ARG 120 HB2 ARG 120 -9.134 4.823 -11.991 891 HB3 ARG 120 HB1 ARG 120 -10.042 3.376 -12.327 892 HG2 ARG 120 HG2 ARG 120 -11.233 3.829 -10.495 893 HG3 ARG 120 HG1 ARG 120 -9.756 3.557 -9.568 894 HD2 ARG 120 HD2 ARG 120 -10.226 5.695 -8.925 895 HD3 ARG 120 HD1 ARG 120 -9.180 5.966 -10.322 896 HE ARG 120 HE ARG 120 -11.903 5.874 -11.107 897 HH11 ARG 120 HH11 ARG 120 -9.555 7.924 -9.546 898 HH12 ARG 120 HH12 ARG 120 -10.354 9.395 -9.991 899 HH21 ARG 120 HH21 ARG 120 -12.962 7.806 -11.694 900 HH22 ARG 120 HH22 ARG 120 -12.291 9.328 -11.210 901 HA PRO 121 HA PRO 121 -4.807 5.206 -10.225 902 HB2 PRO 121 HB2 PRO 121 -4.649 7.404 -11.815 903 HB3 PRO 121 HB1 PRO 121 -3.946 5.838 -12.221 904 HG2 PRO 121 HG2 PRO 121 -6.343 7.152 -13.301 905 HG3 PRO 121 HG1 PRO 121 -5.316 5.911 -14.025 906 HD2 PRO 121 HD2 PRO 121 -7.853 5.530 -12.815 907 HD3 PRO 121 HD1 PRO 121 -6.735 4.266 -13.335 908 H PHE 122 HN PHE 122 -4.969 6.308 -8.410 909 HA PHE 122 HA PHE 122 -7.058 8.361 -8.158 910 HB2 PHE 122 HB2 PHE 122 -6.522 6.095 -6.594 911 HB3 PHE 122 HB1 PHE 122 -5.952 7.452 -5.643 912 HD1 PHE 122 HD2 PHE 122 -8.831 7.622 -7.970 913 HD2 PHE 122 HD1 PHE 122 -7.530 7.356 -3.931 914 HE1 PHE 122 HE2 PHE 122 -11.122 8.095 -7.205 915 HE2 PHE 122 HE1 PHE 122 -9.811 7.821 -3.154 916 HZ PHE 122 HZ PHE 122 -11.617 8.197 -4.792 917 H THR 123 HN THR 123 -6.590 10.344 -7.287 918 HA THR 123 HA THR 123 -3.770 10.866 -6.628 919 HB THR 123 HB THR 123 -4.001 13.107 -7.671 920 HG1 THR 123 HG1 THR 123 -6.488 12.021 -8.532 921 HG21 THR 123 HG21 THR 123 -2.956 11.249 -8.873 922 HG22 THR 123 HG22 THR 123 -3.787 12.353 -9.968 923 HG23 THR 123 HG23 THR 123 -4.526 10.807 -9.546 924 H GLY 124 HN GLY 124 -3.816 11.164 -4.501 925 HA2 GLY 124 HA2 GLY 124 -5.979 12.218 -3.032 926 HA3 GLY 124 HA1 GLY 124 -4.336 12.020 -2.446 Start of MODEL 12 1 H1 HIS 6 HT1 HIS 6 -20.755 5.736 -4.004 2 H2 HIS 6 HT2 HIS 6 -20.410 6.688 -2.648 3 H3 HIS 6 HT3 HIS 6 -21.712 7.087 -3.652 4 HA HIS 6 HA HIS 6 -22.485 6.059 -1.623 5 HB2 HIS 6 HB2 HIS 6 -22.797 4.315 -4.078 6 HB3 HIS 6 HB1 HIS 6 -23.842 4.268 -2.661 7 HD1 HIS 6 HD1 HIS 6 -25.689 5.985 -2.520 8 HD2 HIS 6 HD2 HIS 6 -23.061 6.687 -5.661 9 HE1 HIS 6 HE1 HIS 6 -26.761 7.792 -3.901 10 HE2 HIS 6 HE2 HIS 6 -25.110 8.264 -5.744 11 H ARG 7 HN ARG 7 -19.605 4.925 -2.639 12 HA ARG 7 HA ARG 7 -19.568 2.849 -0.596 13 HB2 ARG 7 HB2 ARG 7 -20.058 1.866 -2.936 14 HB3 ARG 7 HB1 ARG 7 -18.375 2.237 -3.279 15 HG2 ARG 7 HG2 ARG 7 -19.074 0.657 -0.846 16 HG3 ARG 7 HG1 ARG 7 -19.044 -0.123 -2.428 17 HD2 ARG 7 HD2 ARG 7 -16.773 1.338 -1.092 18 HD3 ARG 7 HD1 ARG 7 -16.902 -0.385 -1.353 19 HE ARG 7 HE ARG 7 -16.041 1.561 -3.241 20 HH11 ARG 7 HH11 ARG 7 -17.671 -1.504 -2.931 21 HH12 ARG 7 HH12 ARG 7 -17.250 -2.035 -4.525 22 HH21 ARG 7 HH21 ARG 7 -15.479 0.867 -5.341 23 HH22 ARG 7 HH22 ARG 7 -16.000 -0.690 -5.892 24 H SER 8 HN SER 8 -18.020 5.190 -2.570 25 HA SER 8 HA SER 8 -15.392 4.939 -2.494 26 HB2 SER 8 HB2 SER 8 -15.174 7.373 -1.840 27 HB3 SER 8 HB1 SER 8 -16.307 7.053 -3.157 28 HG SER 8 HG SER 8 -16.818 7.806 -0.504 29 H ALA 9 HN ALA 9 -14.443 3.657 -1.044 30 HA ALA 9 HA ALA 9 -14.870 3.614 1.712 31 HB1 ALA 9 HB1 ALA 9 -12.824 2.312 1.824 32 HB2 ALA 9 HB2 ALA 9 -12.388 2.828 0.194 33 HB3 ALA 9 HB3 ALA 9 -13.809 1.806 0.447 34 H ASN 10 HN ASN 10 -12.733 3.900 3.158 35 HA ASN 10 HA ASN 10 -12.348 6.743 3.279 36 HB2 ASN 10 HB2 ASN 10 -11.154 4.552 4.990 37 HB3 ASN 10 HB1 ASN 10 -11.128 6.276 5.350 38 HD21 ASN 10 HD21 ASN 10 -13.076 3.409 5.177 39 HD22 ASN 10 HD22 ASN 10 -14.430 4.031 6.052 40 H LEU 11 HN LEU 11 -11.233 5.728 0.899 41 HA LEU 11 HA LEU 11 -8.496 5.159 1.018 42 HB2 LEU 11 HB2 LEU 11 -9.802 6.832 -1.111 43 HB3 LEU 11 HB1 LEU 11 -8.377 5.838 -1.253 44 HG LEU 11 HG LEU 11 -10.952 4.540 -0.578 45 HD11 LEU 11 HD11 LEU 11 -11.512 4.375 -2.936 46 HD12 LEU 11 HD12 LEU 11 -10.121 5.391 -3.336 47 HD13 LEU 11 HD13 LEU 11 -11.471 6.060 -2.406 48 HD21 LEU 11 HD21 LEU 11 -10.010 2.669 -1.694 49 HD22 LEU 11 HD22 LEU 11 -8.739 3.336 -0.668 50 HD23 LEU 11 HD23 LEU 11 -8.733 3.656 -2.403 51 H ARG 12 HN ARG 12 -10.257 8.018 1.516 52 HA ARG 12 HA ARG 12 -8.270 9.937 0.942 53 HB2 ARG 12 HB2 ARG 12 -10.132 10.704 3.059 54 HB3 ARG 12 HB1 ARG 12 -9.878 11.428 1.479 55 HG2 ARG 12 HG2 ARG 12 -11.599 9.026 2.083 56 HG3 ARG 12 HG1 ARG 12 -12.167 10.654 1.722 57 HD2 ARG 12 HD2 ARG 12 -10.552 8.940 -0.171 58 HD3 ARG 12 HD1 ARG 12 -12.311 9.081 -0.208 59 HE ARG 12 HE ARG 12 -11.015 11.627 -0.344 60 HH11 ARG 12 HH11 ARG 12 -11.942 8.844 -2.224 61 HH12 ARG 12 HH12 ARG 12 -12.025 9.720 -3.716 62 HH21 ARG 12 HH21 ARG 12 -11.125 12.787 -2.302 63 HH22 ARG 12 HH22 ARG 12 -11.564 11.962 -3.760 64 H ALA 13 HN ALA 13 -8.950 7.916 3.646 65 HA ALA 13 HA ALA 13 -7.193 9.262 5.486 66 HB1 ALA 13 HB1 ALA 13 -9.102 7.947 6.283 67 HB2 ALA 13 HB2 ALA 13 -7.578 7.339 6.924 68 HB3 ALA 13 HB3 ALA 13 -8.374 6.494 5.598 69 H ALA 14 HN ALA 14 -7.089 6.591 3.280 70 HA ALA 14 HA ALA 14 -4.503 5.642 4.059 71 HB1 ALA 14 HB1 ALA 14 -6.322 4.275 2.993 72 HB2 ALA 14 HB2 ALA 14 -4.737 4.122 2.235 73 HB3 ALA 14 HB3 ALA 14 -5.980 5.122 1.479 74 H HIS 15 HN HIS 15 -5.809 7.706 1.556 75 HA HIS 15 HA HIS 15 -3.693 7.963 -0.140 76 HB2 HIS 15 HB2 HIS 15 -6.062 9.481 0.556 77 HB3 HIS 15 HB1 HIS 15 -4.729 10.554 0.169 78 HD1 HIS 15 HD1 HIS 15 -3.416 9.572 -2.168 79 HD2 HIS 15 HD2 HIS 15 -7.486 8.922 -1.657 80 HE1 HIS 15 HE1 HIS 15 -4.322 9.138 -4.461 81 HE2 HIS 15 HE2 HIS 15 -6.806 9.027 -4.150 82 H ALA 16 HN ALA 16 -4.214 9.327 3.037 83 HA ALA 16 HA ALA 16 -1.789 10.909 2.942 84 HB1 ALA 16 HB1 ALA 16 -2.358 11.542 5.242 85 HB2 ALA 16 HB2 ALA 16 -3.717 10.417 5.210 86 HB3 ALA 16 HB3 ALA 16 -3.705 11.816 4.136 87 H ALA 17 HN ALA 17 -2.852 7.788 4.077 88 HA ALA 17 HA ALA 17 -0.664 7.333 5.844 89 HB1 ALA 17 HB1 ALA 17 -1.340 4.977 5.751 90 HB2 ALA 17 HB2 ALA 17 -2.517 5.394 4.494 91 HB3 ALA 17 HB3 ALA 17 -2.682 6.064 6.117 92 H LEU 18 HN LEU 18 -1.425 5.896 2.662 93 HA LEU 18 HA LEU 18 1.087 4.764 2.204 94 HB2 LEU 18 HB2 LEU 18 -0.871 5.872 0.184 95 HB3 LEU 18 HB1 LEU 18 0.480 4.825 -0.199 96 HG LEU 18 HG LEU 18 -1.048 3.193 -0.137 97 HD11 LEU 18 HD11 LEU 18 0.209 2.764 1.925 98 HD12 LEU 18 HD12 LEU 18 -1.447 2.162 1.996 99 HD13 LEU 18 HD13 LEU 18 -1.015 3.653 2.831 100 HD21 LEU 18 HD21 LEU 18 -3.265 3.488 0.479 101 HD22 LEU 18 HD22 LEU 18 -2.731 5.099 -0.021 102 HD23 LEU 18 HD23 LEU 18 -2.861 4.701 1.696 103 H LEU 19 HN LEU 19 -0.076 7.990 1.990 104 HA LEU 19 HA LEU 19 2.130 9.051 0.482 105 HB2 LEU 19 HB2 LEU 19 0.152 10.328 0.390 106 HB3 LEU 19 HB1 LEU 19 -0.114 10.213 2.113 107 HG LEU 19 HG LEU 19 0.617 12.470 1.068 108 HD11 LEU 19 HD11 LEU 19 1.698 13.090 3.131 109 HD12 LEU 19 HD12 LEU 19 2.038 11.397 3.491 110 HD13 LEU 19 HD13 LEU 19 0.371 11.974 3.467 111 HD21 LEU 19 HD21 LEU 19 2.881 12.848 0.706 112 HD22 LEU 19 HD22 LEU 19 2.606 11.277 -0.052 113 HD23 LEU 19 HD23 LEU 19 3.355 11.370 1.541 114 H GLU 20 HN GLU 20 1.106 8.959 3.845 115 HA GLU 20 HA GLU 20 3.257 10.186 5.086 116 HB2 GLU 20 HB2 GLU 20 1.171 9.549 6.240 117 HB3 GLU 20 HB1 GLU 20 1.621 7.858 6.087 118 HG2 GLU 20 HG2 GLU 20 2.191 8.403 8.266 119 HG3 GLU 20 HG1 GLU 20 3.717 8.466 7.383 120 H ASN 21 HN ASN 21 2.871 7.083 3.661 121 HA ASN 21 HA ASN 21 5.345 6.009 4.702 122 HB2 ASN 21 HB2 ASN 21 3.961 4.218 4.303 123 HB3 ASN 21 HB1 ASN 21 3.124 5.018 2.978 124 HD21 ASN 21 HD21 ASN 21 3.917 4.861 0.914 125 HD22 ASN 21 HD22 ASN 21 5.167 3.752 0.475 126 H ALA 22 HN ALA 22 4.010 7.044 1.604 127 HA ALA 22 HA ALA 22 6.079 6.699 -0.115 128 HB1 ALA 22 HB1 ALA 22 5.178 8.522 -1.434 129 HB2 ALA 22 HB2 ALA 22 4.318 9.150 -0.026 130 HB3 ALA 22 HB3 ALA 22 3.857 7.594 -0.722 131 H ARG 23 HN ARG 23 5.767 9.250 2.295 132 HA ARG 23 HA ARG 23 8.059 10.710 1.375 133 HB2 ARG 23 HB2 ARG 23 7.879 11.907 3.527 134 HB3 ARG 23 HB1 ARG 23 6.334 11.835 2.690 135 HG2 ARG 23 HG2 ARG 23 5.523 10.161 4.183 136 HG3 ARG 23 HG1 ARG 23 7.121 9.956 4.902 137 HD2 ARG 23 HD2 ARG 23 5.712 11.270 6.365 138 HD3 ARG 23 HD1 ARG 23 7.027 12.261 5.738 139 HE ARG 23 HE ARG 23 4.713 12.513 4.118 140 HH11 ARG 23 HH11 ARG 23 6.068 13.506 7.173 141 HH12 ARG 23 HH12 ARG 23 5.141 14.967 7.257 142 HH21 ARG 23 HH21 ARG 23 3.485 14.434 4.222 143 HH22 ARG 23 HH22 ARG 23 3.669 15.493 5.580 144 H PHE 24 HN PHE 24 7.406 8.415 3.988 145 HA PHE 24 HA PHE 24 10.038 8.249 4.970 146 HB2 PHE 24 HB2 PHE 24 7.511 6.812 5.291 147 HB3 PHE 24 HB1 PHE 24 8.898 5.741 5.395 148 HD1 PHE 24 HD2 PHE 24 10.540 6.013 7.188 149 HD2 PHE 24 HD1 PHE 24 7.064 8.458 6.959 150 HE1 PHE 24 HE2 PHE 24 10.882 6.710 9.523 151 HE2 PHE 24 HE1 PHE 24 7.400 9.159 9.294 152 HZ PHE 24 HZ PHE 24 9.309 8.284 10.579 153 H MET 25 HN MET 25 8.472 7.030 2.178 154 HA MET 25 HA MET 25 10.368 4.954 1.559 155 HB2 MET 25 HB2 MET 25 8.307 6.385 -0.153 156 HB3 MET 25 HB1 MET 25 9.251 5.001 -0.679 157 HG2 MET 25 HG2 MET 25 7.149 5.081 1.467 158 HG3 MET 25 HG1 MET 25 7.069 4.264 -0.087 159 HE1 MET 25 HE1 MET 25 8.709 2.802 3.825 160 HE2 MET 25 HE2 MET 25 7.935 4.340 3.430 161 HE3 MET 25 HE3 MET 25 9.667 4.130 3.167 162 H GLU 26 HN GLU 26 9.578 8.186 0.466 163 HA GLU 26 HA GLU 26 11.724 8.649 -1.252 164 HB2 GLU 26 HB2 GLU 26 9.705 10.237 0.221 165 HB3 GLU 26 HB1 GLU 26 11.148 11.116 -0.224 166 HG2 GLU 26 HG2 GLU 26 9.201 9.733 -2.036 167 HG3 GLU 26 HG1 GLU 26 9.539 11.456 -1.924 168 H GLN 27 HN GLN 27 11.447 8.479 2.151 169 HA GLN 27 HA GLN 27 13.839 9.941 2.790 170 HB2 GLN 27 HB2 GLN 27 11.921 8.303 4.386 171 HB3 GLN 27 HB1 GLN 27 13.394 8.921 5.089 172 HG2 GLN 27 HG2 GLN 27 12.681 11.061 4.986 173 HG3 GLN 27 HG1 GLN 27 11.565 10.769 3.672 174 HE21 GLN 27 HE21 GLN 27 11.824 8.871 6.603 175 HE22 GLN 27 HE22 GLN 27 10.284 9.306 7.254 176 H PHE 28 HN PHE 28 12.838 6.548 3.182 177 HA PHE 28 HA PHE 28 15.228 5.465 3.979 178 HB2 PHE 28 HB2 PHE 28 13.075 4.228 3.792 179 HB3 PHE 28 HB1 PHE 28 13.301 4.167 2.057 180 HD1 PHE 28 HD2 PHE 28 14.674 3.078 5.294 181 HD2 PHE 28 HD1 PHE 28 14.682 2.555 1.078 182 HE1 PHE 28 HE2 PHE 28 15.969 1.006 5.561 183 HE2 PHE 28 HE1 PHE 28 15.963 0.487 1.335 184 HZ PHE 28 HZ PHE 28 16.616 -0.293 3.574 185 H TYR 29 HN TYR 29 14.098 6.082 0.684 186 HA TYR 29 HA TYR 29 16.387 5.078 -0.646 187 HB2 TYR 29 HB2 TYR 29 14.332 5.448 -1.879 188 HB3 TYR 29 HB1 TYR 29 14.323 7.151 -1.446 189 HD1 TYR 29 HD1 TYR 29 15.945 4.598 -3.551 190 HD2 TYR 29 HD2 TYR 29 15.639 8.743 -2.655 191 HE1 TYR 29 HE1 TYR 29 17.171 5.128 -5.616 192 HE2 TYR 29 HE2 TYR 29 16.861 9.288 -4.713 193 HH TYR 29 HH TYR 29 17.392 7.057 -7.180 194 H ALA 30 HN ALA 30 15.461 8.206 0.659 195 HA ALA 30 HA ALA 30 17.708 9.665 -0.289 196 HB1 ALA 30 HB1 ALA 30 15.790 10.903 0.357 197 HB2 ALA 30 HB2 ALA 30 17.036 11.278 1.549 198 HB3 ALA 30 HB3 ALA 30 15.744 10.143 1.947 199 H LYS 31 HN LYS 31 17.282 7.345 2.135 200 HA LYS 31 HA LYS 31 19.714 8.142 3.573 201 HB2 LYS 31 HB2 LYS 31 17.674 6.045 4.333 202 HB3 LYS 31 HB1 LYS 31 18.977 6.658 5.341 203 HG2 LYS 31 HG2 LYS 31 17.853 8.537 5.893 204 HG3 LYS 31 HG1 LYS 31 17.048 8.650 4.328 205 HD2 LYS 31 HD2 LYS 31 15.435 7.014 4.927 206 HD3 LYS 31 HD1 LYS 31 16.360 6.531 6.354 207 HE2 LYS 31 HE2 LYS 31 14.948 9.158 5.916 208 HE3 LYS 31 HE1 LYS 31 14.467 7.875 7.023 209 HZ1 LYS 31 HZ1 LYS 31 15.589 9.622 8.215 210 HZ2 LYS 31 HZ2 LYS 31 16.940 9.510 7.204 211 HZ3 LYS 31 HZ3 LYS 31 16.551 8.230 8.237 212 H LYS 32 HN LYS 32 18.446 5.905 1.335 213 HA LYS 32 HA LYS 32 20.846 4.229 1.567 214 HB2 LYS 32 HB2 LYS 32 17.971 3.483 1.353 215 HB3 LYS 32 HB1 LYS 32 19.166 2.448 0.597 216 HG2 LYS 32 HG2 LYS 32 19.463 3.287 3.444 217 HG3 LYS 32 HG1 LYS 32 18.408 1.947 3.004 218 HD2 LYS 32 HD2 LYS 32 20.238 0.750 2.021 219 HD3 LYS 32 HD1 LYS 32 21.315 2.132 2.238 220 HE2 LYS 32 HE2 LYS 32 21.060 1.923 4.673 221 HE3 LYS 32 HE1 LYS 32 20.022 0.518 4.434 222 HZ1 LYS 32 HZ1 LYS 32 22.297 -0.121 4.949 223 HZ2 LYS 32 HZ2 LYS 32 22.865 0.720 3.596 224 HZ3 LYS 32 HZ3 LYS 32 21.869 -0.632 3.394 225 H GLY 33 HN GLY 33 18.184 3.999 -0.723 226 HA2 GLY 33 HA2 GLY 33 18.648 5.345 -2.895 227 HA3 GLY 33 HA1 GLY 33 20.106 4.361 -2.915 228 H SER 34 HN SER 34 18.092 2.343 -1.530 229 HA SER 34 HA SER 34 16.420 1.515 -3.711 230 HB2 SER 34 HB2 SER 34 18.770 -0.252 -2.977 231 HB3 SER 34 HB1 SER 34 17.494 -0.639 -4.131 232 HG SER 34 HG SER 34 18.357 0.688 -5.564 233 H PHE 35 HN PHE 35 14.966 -0.166 -3.095 234 HA PHE 35 HA PHE 35 14.753 -0.412 -0.202 235 HB2 PHE 35 HB2 PHE 35 12.846 -0.395 -2.415 236 HB3 PHE 35 HB1 PHE 35 12.480 -1.616 -1.196 237 HD1 PHE 35 HD1 PHE 35 13.451 1.962 -1.485 238 HD2 PHE 35 HD2 PHE 35 11.290 -0.994 0.681 239 HE1 PHE 35 HE1 PHE 35 12.549 3.711 -0.015 240 HE2 PHE 35 HE2 PHE 35 10.379 0.751 2.156 241 HZ PHE 35 HZ PHE 35 11.010 3.107 1.808 242 H LYS 36 HN LYS 36 13.595 -2.934 -2.468 243 HA LYS 36 HA LYS 36 14.648 -4.955 -0.758 244 HB2 LYS 36 HB2 LYS 36 12.859 -5.024 -2.839 245 HB3 LYS 36 HB1 LYS 36 14.296 -5.746 -3.544 246 HG2 LYS 36 HG2 LYS 36 14.390 -7.330 -1.637 247 HG3 LYS 36 HG1 LYS 36 12.830 -6.693 -1.112 248 HD2 LYS 36 HD2 LYS 36 12.618 -8.770 -2.445 249 HD3 LYS 36 HD1 LYS 36 11.791 -7.396 -3.173 250 HE2 LYS 36 HE2 LYS 36 13.667 -7.073 -4.707 251 HE3 LYS 36 HE1 LYS 36 14.501 -8.442 -3.980 252 HZ1 LYS 36 HZ1 LYS 36 12.652 -9.863 -4.686 253 HZ2 LYS 36 HZ2 LYS 36 13.406 -9.112 -6.001 254 HZ3 LYS 36 HZ3 LYS 36 11.917 -8.538 -5.439 255 H LEU 37 HN LEU 37 16.454 -6.069 -0.834 256 HA LEU 37 HA LEU 37 18.584 -5.005 -2.544 257 HB2 LEU 37 HB2 LEU 37 19.914 -6.450 -0.754 258 HB3 LEU 37 HB1 LEU 37 19.374 -4.816 -0.412 259 HG LEU 37 HG LEU 37 17.383 -5.717 0.764 260 HD11 LEU 37 HD11 LEU 37 16.746 -7.663 -0.034 261 HD12 LEU 37 HD12 LEU 37 17.772 -8.283 1.277 262 HD13 LEU 37 HD13 LEU 37 18.397 -8.212 -0.370 263 HD21 LEU 37 HD21 LEU 37 18.527 -6.532 2.716 264 HD22 LEU 37 HD22 LEU 37 19.513 -5.270 1.975 265 HD23 LEU 37 HD23 LEU 37 19.946 -6.966 1.761 266 H THR 38 HN THR 38 16.802 -7.868 -1.759 267 HA THR 38 HA THR 38 18.015 -9.324 -3.964 268 HB THR 38 HB THR 38 19.289 -9.864 -1.794 269 HG1 THR 38 HG1 THR 38 18.689 -11.307 -3.844 270 HG21 THR 38 HG21 THR 38 18.240 -11.380 -0.244 271 HG22 THR 38 HG22 THR 38 16.780 -11.451 -1.232 272 HG23 THR 38 HG23 THR 38 17.203 -9.957 -0.395 273 H SER 39 HN SER 39 16.745 -11.226 -4.550 274 HA SER 39 HA SER 39 13.952 -10.808 -4.291 275 HB2 SER 39 HB2 SER 39 15.253 -13.389 -5.169 276 HB3 SER 39 HB1 SER 39 13.682 -12.742 -5.641 277 HG SER 39 HG SER 39 15.649 -12.511 -7.105 278 H THR 40 HN THR 40 12.570 -11.543 -2.904 279 HA THR 40 HA THR 40 11.571 -12.721 -1.260 280 HB THR 40 HB THR 40 12.390 -14.729 -0.303 281 HG1 THR 40 HG1 THR 40 14.470 -14.689 0.129 282 HG21 THR 40 HG21 THR 40 13.240 -14.688 -3.194 283 HG22 THR 40 HG22 THR 40 11.572 -14.832 -2.632 284 HG23 THR 40 HG23 THR 40 12.747 -16.098 -2.257 285 H LYS 41 HN LYS 41 12.829 -10.298 -0.840 286 HA LYS 41 HA LYS 41 13.608 -10.574 1.988 287 HB2 LYS 41 HB2 LYS 41 15.455 -9.778 0.433 288 HB3 LYS 41 HB1 LYS 41 14.541 -8.291 0.234 289 HG2 LYS 41 HG2 LYS 41 15.062 -9.206 2.994 290 HG3 LYS 41 HG1 LYS 41 16.423 -8.593 2.071 291 HD2 LYS 41 HD2 LYS 41 13.939 -7.172 2.953 292 HD3 LYS 41 HD1 LYS 41 15.626 -6.706 3.173 293 HE2 LYS 41 HE2 LYS 41 15.718 -6.400 0.656 294 HE3 LYS 41 HE1 LYS 41 13.964 -6.536 0.673 295 HZ1 LYS 41 HZ1 LYS 41 15.598 -4.493 2.073 296 HZ2 LYS 41 HZ2 LYS 41 13.929 -4.668 2.265 297 HZ3 LYS 41 HZ3 LYS 41 14.565 -4.241 0.758 298 H TRP 42 HN TRP 42 12.872 -8.822 3.398 299 HA TRP 42 HA TRP 42 10.558 -7.411 2.256 300 HB2 TRP 42 HB2 TRP 42 10.607 -9.351 4.442 301 HB3 TRP 42 HB1 TRP 42 9.781 -7.847 4.828 302 HD1 TRP 42 HD1 TRP 42 8.998 -7.962 1.399 303 HE1 TRP 42 HE1 TRP 42 6.805 -9.186 0.910 304 HE3 TRP 42 HE3 TRP 42 8.446 -10.474 5.825 305 HZ2 TRP 42 HZ2 TRP 42 5.061 -10.951 2.198 306 HZ3 TRP 42 HZ3 TRP 42 6.469 -11.916 6.110 307 HH2 TRP 42 HH2 TRP 42 4.812 -12.151 4.331 308 HA PRO 43 HA PRO 43 12.806 -4.083 4.465 309 HB2 PRO 43 HB2 PRO 43 11.731 -2.125 2.859 310 HB3 PRO 43 HB1 PRO 43 13.230 -2.981 2.485 311 HG2 PRO 43 HG2 PRO 43 10.480 -3.411 1.410 312 HG3 PRO 43 HG1 PRO 43 12.042 -3.506 0.576 313 HD2 PRO 43 HD2 PRO 43 10.654 -5.706 1.382 314 HD3 PRO 43 HD1 PRO 43 12.433 -5.660 1.278 315 H GLU 44 HN GLU 44 11.823 -3.325 6.308 316 HA GLU 44 HA GLU 44 9.104 -3.685 6.791 317 HB2 GLU 44 HB2 GLU 44 10.904 -3.514 8.518 318 HB3 GLU 44 HB1 GLU 44 10.848 -1.772 8.289 319 HG2 GLU 44 HG2 GLU 44 8.746 -1.572 9.202 320 HG3 GLU 44 HG1 GLU 44 8.338 -3.257 8.876 321 H LEU 45 HN LEU 45 7.364 -2.417 6.900 322 HA LEU 45 HA LEU 45 7.374 -0.016 5.254 323 HB2 LEU 45 HB2 LEU 45 4.970 -0.250 5.267 324 HB3 LEU 45 HB1 LEU 45 5.708 -1.792 4.878 325 HG LEU 45 HG LEU 45 5.158 -1.436 7.717 326 HD11 LEU 45 HD11 LEU 45 3.258 -0.277 7.197 327 HD12 LEU 45 HD12 LEU 45 2.705 -1.951 7.331 328 HD13 LEU 45 HD13 LEU 45 2.964 -1.230 5.741 329 HD21 LEU 45 HD21 LEU 45 4.012 -3.697 7.207 330 HD22 LEU 45 HD22 LEU 45 5.774 -3.569 7.195 331 HD23 LEU 45 HD23 LEU 45 4.876 -3.561 5.676 332 HA PRO 46 HA PRO 46 6.958 2.690 8.750 333 HB2 PRO 46 HB2 PRO 46 6.068 4.915 7.529 334 HB3 PRO 46 HB1 PRO 46 7.712 4.311 7.308 335 HG2 PRO 46 HG2 PRO 46 5.364 4.118 5.494 336 HG3 PRO 46 HG1 PRO 46 7.076 4.317 5.095 337 HD2 PRO 46 HD2 PRO 46 5.651 1.931 4.991 338 HD3 PRO 46 HD1 PRO 46 7.416 2.077 5.026 339 H VAL 47 HN VAL 47 4.168 3.489 6.642 340 HA VAL 47 HA VAL 47 2.476 3.663 8.994 341 HB VAL 47 HB VAL 47 2.285 5.291 7.037 342 HG11 VAL 47 HG11 VAL 47 0.873 2.956 5.785 343 HG12 VAL 47 HG12 VAL 47 2.385 3.680 5.225 344 HG13 VAL 47 HG13 VAL 47 0.885 4.606 5.167 345 HG21 VAL 47 HG21 VAL 47 -0.196 3.845 7.934 346 HG22 VAL 47 HG22 VAL 47 -0.139 5.461 7.229 347 HG23 VAL 47 HG23 VAL 47 0.614 5.156 8.793 348 H LYS 48 HN LYS 48 0.938 2.226 9.592 349 HA LYS 48 HA LYS 48 0.578 -0.138 7.878 350 HB2 LYS 48 HB2 LYS 48 0.463 -0.258 10.876 351 HB3 LYS 48 HB1 LYS 48 0.657 -1.581 9.737 352 HG2 LYS 48 HG2 LYS 48 2.838 -1.480 10.086 353 HG3 LYS 48 HG1 LYS 48 2.846 0.102 9.305 354 HD2 LYS 48 HD2 LYS 48 2.423 -0.432 12.246 355 HD3 LYS 48 HD1 LYS 48 3.889 0.213 11.508 356 HE2 LYS 48 HE2 LYS 48 2.600 2.162 10.717 357 HE3 LYS 48 HE1 LYS 48 1.169 1.523 11.528 358 HZ1 LYS 48 HZ1 LYS 48 2.238 3.183 12.890 359 HZ2 LYS 48 HZ2 LYS 48 3.705 2.342 12.844 360 HZ3 LYS 48 HZ3 LYS 48 2.371 1.671 13.639 361 H GLU 49 HN GLU 49 -0.905 2.496 9.068 362 HA GLU 49 HA GLU 49 -3.532 1.468 8.559 363 HB2 GLU 49 HB2 GLU 49 -3.025 0.674 10.900 364 HB3 GLU 49 HB1 GLU 49 -3.004 2.362 11.378 365 HG2 GLU 49 HG2 GLU 49 -5.304 2.627 10.703 366 HG3 GLU 49 HG1 GLU 49 -5.346 0.965 10.118 367 H ALA 50 HN ALA 50 -4.645 3.098 7.777 368 HA ALA 50 HA ALA 50 -3.858 5.865 8.184 369 HB1 ALA 50 HB1 ALA 50 -4.345 5.819 5.982 370 HB2 ALA 50 HB2 ALA 50 -6.018 5.960 6.519 371 HB3 ALA 50 HB3 ALA 50 -5.345 4.374 6.134 372 H GLY 51 HN GLY 51 -6.235 7.187 7.925 373 HA2 GLY 51 HA2 GLY 51 -7.314 6.962 10.551 374 HA3 GLY 51 HA1 GLY 51 -7.888 8.038 9.286 375 H GLY 52 HN GLY 52 -8.006 5.298 7.696 376 HA2 GLY 52 HA2 GLY 52 -10.322 4.049 8.907 377 HA3 GLY 52 HA1 GLY 52 -10.665 4.944 7.438 378 H PHE 53 HN PHE 53 -7.617 3.959 7.093 379 HA PHE 53 HA PHE 53 -8.320 1.363 5.890 380 HB2 PHE 53 HB2 PHE 53 -6.830 3.667 4.733 381 HB3 PHE 53 HB1 PHE 53 -6.172 2.074 4.423 382 HD1 PHE 53 HD1 PHE 53 -9.682 3.372 4.534 383 HD2 PHE 53 HD2 PHE 53 -6.630 1.452 2.287 384 HE1 PHE 53 HE1 PHE 53 -11.251 3.066 2.677 385 HE2 PHE 53 HE2 PHE 53 -8.197 1.137 0.422 386 HZ PHE 53 HZ PHE 53 -10.513 1.946 0.616 387 H CYS 54 HN CYS 54 -6.349 -0.046 5.636 388 HA CYS 54 HA CYS 54 -4.412 0.451 7.782 389 HB2 CYS 54 HB2 CYS 54 -6.228 -1.721 7.485 390 HB3 CYS 54 HB1 CYS 54 -4.591 -2.324 7.366 391 H ILE 55 HN ILE 55 -2.300 0.025 7.295 392 HA ILE 55 HA ILE 55 -1.811 -0.634 4.478 393 HB ILE 55 HB ILE 55 -0.237 1.216 6.252 394 HG12 ILE 55 HG12 ILE 55 -1.157 2.877 4.468 395 HG13 ILE 55 HG11 ILE 55 -2.365 1.632 4.188 396 HG21 ILE 55 HG21 ILE 55 0.086 0.414 3.376 397 HG22 ILE 55 HG22 ILE 55 1.268 0.306 4.682 398 HG23 ILE 55 HG23 ILE 55 0.798 1.883 4.045 399 HD11 ILE 55 HD11 ILE 55 -3.061 3.439 5.735 400 HD12 ILE 55 HD12 ILE 55 -1.844 2.858 6.872 401 HD13 ILE 55 HD13 ILE 55 -3.182 1.812 6.397 402 H ARG 56 HN ARG 56 0.036 -1.684 3.877 403 HA ARG 56 HA ARG 56 1.846 -2.832 5.830 404 HB2 ARG 56 HB2 ARG 56 -0.201 -4.451 4.339 405 HB3 ARG 56 HB1 ARG 56 1.371 -5.152 4.687 406 HG2 ARG 56 HG2 ARG 56 -0.540 -4.049 6.732 407 HG3 ARG 56 HG1 ARG 56 -0.323 -5.754 6.343 408 HD2 ARG 56 HD2 ARG 56 2.064 -5.538 7.003 409 HD3 ARG 56 HD1 ARG 56 1.728 -3.886 7.519 410 HE ARG 56 HE ARG 56 0.053 -5.922 8.712 411 HH11 ARG 56 HH11 ARG 56 2.946 -3.996 8.993 412 HH12 ARG 56 HH12 ARG 56 3.054 -4.181 10.711 413 HH21 ARG 56 HH21 ARG 56 0.191 -6.169 10.972 414 HH22 ARG 56 HH22 ARG 56 1.492 -5.418 11.836 415 H MET 57 HN MET 57 3.737 -3.746 4.810 416 HA MET 57 HA MET 57 4.572 -2.354 2.535 417 HB2 MET 57 HB2 MET 57 5.993 -3.532 4.340 418 HB3 MET 57 HB1 MET 57 5.800 -4.969 3.340 419 HG2 MET 57 HG2 MET 57 6.562 -3.055 1.528 420 HG3 MET 57 HG1 MET 57 7.500 -2.644 2.965 421 HE1 MET 57 HE1 MET 57 6.354 -6.358 2.053 422 HE2 MET 57 HE2 MET 57 7.580 -6.712 0.841 423 HE3 MET 57 HE3 MET 57 6.417 -5.420 0.561 424 H SER 58 HN SER 58 5.115 -3.140 0.412 425 HA SER 58 HA SER 58 3.101 -4.274 -1.002 426 HB2 SER 58 HB2 SER 58 4.900 -3.184 -2.159 427 HB3 SER 58 HB1 SER 58 6.069 -4.382 -1.575 428 HG SER 58 HG SER 58 4.020 -4.697 -3.492 429 H GLY 59 HN GLY 59 3.334 -6.404 -2.340 430 HA2 GLY 59 HA2 GLY 59 2.515 -8.522 -0.917 431 HA3 GLY 59 HA1 GLY 59 3.320 -8.690 -2.453 432 H GLN 60 HN GLN 60 4.205 -10.610 -2.064 433 HA GLN 60 HA GLN 60 5.584 -11.339 0.304 434 HB2 GLN 60 HB2 GLN 60 6.468 -13.210 -1.252 435 HB3 GLN 60 HB1 GLN 60 4.759 -13.154 -0.868 436 HG2 GLN 60 HG2 GLN 60 4.351 -11.994 -3.007 437 HG3 GLN 60 HG1 GLN 60 6.063 -12.173 -3.390 438 HE21 GLN 60 HE21 GLN 60 3.707 -13.205 -4.776 439 HE22 GLN 60 HE22 GLN 60 3.909 -14.919 -4.850 440 H ALA 61 HN ALA 61 7.754 -11.634 0.679 441 HA ALA 61 HA ALA 61 9.530 -9.684 -0.053 442 HB1 ALA 61 HB1 ALA 61 11.201 -10.966 0.985 443 HB2 ALA 61 HB2 ALA 61 10.402 -12.486 0.585 444 HB3 ALA 61 HB3 ALA 61 9.703 -11.414 1.800 445 H LYS 62 HN LYS 62 8.694 -12.578 -1.790 446 HA LYS 62 HA LYS 62 10.944 -12.625 -3.540 447 HB2 LYS 62 HB2 LYS 62 9.741 -14.638 -3.161 448 HB3 LYS 62 HB1 LYS 62 8.228 -13.895 -3.628 449 HG2 LYS 62 HG2 LYS 62 8.625 -14.986 -5.555 450 HG3 LYS 62 HG1 LYS 62 9.614 -13.565 -5.901 451 HD2 LYS 62 HD2 LYS 62 10.827 -15.842 -4.420 452 HD3 LYS 62 HD1 LYS 62 10.602 -15.981 -6.167 453 HE2 LYS 62 HE2 LYS 62 11.835 -13.854 -6.443 454 HE3 LYS 62 HE1 LYS 62 12.118 -13.828 -4.700 455 HZ1 LYS 62 HZ1 LYS 62 13.379 -15.844 -4.871 456 HZ2 LYS 62 HZ2 LYS 62 14.000 -14.731 -5.981 457 HZ3 LYS 62 HZ3 LYS 62 13.019 -15.999 -6.517 458 H GLY 63 HN GLY 63 7.847 -11.050 -3.544 459 HA2 GLY 63 HA2 GLY 63 8.466 -9.805 -6.142 460 HA3 GLY 63 HA1 GLY 63 6.831 -10.175 -5.618 461 H ILE 64 HN ILE 64 9.683 -8.491 -4.348 462 HA ILE 64 HA ILE 64 7.850 -6.425 -3.366 463 HB ILE 64 HB ILE 64 10.457 -7.406 -2.272 464 HG12 ILE 64 HG12 ILE 64 8.885 -8.721 -1.321 465 HG13 ILE 64 HG11 ILE 64 8.784 -7.362 -0.212 466 HG21 ILE 64 HG21 ILE 64 10.689 -5.081 -2.024 467 HG22 ILE 64 HG22 ILE 64 10.115 -5.695 -0.470 468 HG23 ILE 64 HG23 ILE 64 8.994 -4.888 -1.570 469 HD11 ILE 64 HD11 ILE 64 6.930 -6.503 -1.768 470 HD12 ILE 64 HD12 ILE 64 6.582 -7.854 -0.691 471 HD13 ILE 64 HD13 ILE 64 6.908 -8.157 -2.405 472 H LEU 65 HN LEU 65 8.172 -4.395 -3.533 473 HA LEU 65 HA LEU 65 8.777 -3.129 -5.717 474 HB2 LEU 65 HB2 LEU 65 9.719 -1.292 -4.000 475 HB3 LEU 65 HB1 LEU 65 8.018 -1.625 -4.254 476 HG LEU 65 HG LEU 65 8.368 -3.340 -2.336 477 HD11 LEU 65 HD11 LEU 65 10.791 -3.166 -2.269 478 HD12 LEU 65 HD12 LEU 65 10.094 -2.622 -0.741 479 HD13 LEU 65 HD13 LEU 65 10.667 -1.443 -1.923 480 HD21 LEU 65 HD21 LEU 65 8.576 -0.586 -1.303 481 HD22 LEU 65 HD22 LEU 65 7.373 -1.837 -0.967 482 HD23 LEU 65 HD23 LEU 65 7.280 -0.897 -2.461 483 H GLU 66 HN GLU 66 10.389 -2.190 -6.819 484 HA GLU 66 HA GLU 66 13.117 -2.193 -5.853 485 HB2 GLU 66 HB2 GLU 66 12.144 -4.151 -7.868 486 HB3 GLU 66 HB1 GLU 66 13.689 -3.375 -8.194 487 HG2 GLU 66 HG2 GLU 66 14.705 -4.316 -6.350 488 HG3 GLU 66 HG1 GLU 66 13.176 -4.602 -5.518 489 H GLY 67 HN GLY 67 13.639 -0.167 -6.294 490 HA2 GLY 67 HA2 GLY 67 14.115 1.696 -7.606 491 HA3 GLY 67 HA1 GLY 67 13.430 0.850 -8.996 492 H LYS 68 HN LYS 68 11.270 0.341 -6.738 493 HA LYS 68 HA LYS 68 9.778 2.853 -6.989 494 HB2 LYS 68 HB2 LYS 68 8.022 1.881 -8.068 495 HB3 LYS 68 HB1 LYS 68 9.196 0.653 -8.535 496 HG2 LYS 68 HG2 LYS 68 8.559 -0.716 -6.629 497 HG3 LYS 68 HG1 LYS 68 7.416 0.516 -6.109 498 HD2 LYS 68 HD2 LYS 68 5.981 0.113 -7.908 499 HD3 LYS 68 HD1 LYS 68 7.230 -0.745 -8.824 500 HE2 LYS 68 HE2 LYS 68 7.220 -2.476 -6.995 501 HE3 LYS 68 HE1 LYS 68 5.783 -1.672 -6.347 502 HZ1 LYS 68 HZ1 LYS 68 4.681 -2.064 -8.491 503 HZ2 LYS 68 HZ2 LYS 68 5.137 -3.508 -7.738 504 HZ3 LYS 68 HZ3 LYS 68 6.041 -2.911 -9.037 505 H PHE 69 HN PHE 69 8.700 3.363 -5.080 506 HA PHE 69 HA PHE 69 8.624 1.234 -3.041 507 HB2 PHE 69 HB2 PHE 69 8.604 4.052 -2.117 508 HB3 PHE 69 HB1 PHE 69 9.375 2.635 -1.407 509 HD1 PHE 69 HD2 PHE 69 11.178 1.660 -3.402 510 HD2 PHE 69 HD1 PHE 69 10.162 5.678 -2.462 511 HE1 PHE 69 HE2 PHE 69 13.333 2.410 -4.313 512 HE2 PHE 69 HE1 PHE 69 12.316 6.440 -3.374 513 HZ PHE 69 HZ PHE 69 13.901 4.803 -4.304 514 H THR 70 HN THR 70 6.582 0.620 -2.572 515 HA THR 70 HA THR 70 4.472 2.647 -2.531 516 HB THR 70 HB THR 70 3.923 0.124 -4.065 517 HG1 THR 70 HG1 THR 70 4.629 1.098 -5.928 518 HG21 THR 70 HG21 THR 70 1.901 1.242 -3.675 519 HG22 THR 70 HG22 THR 70 2.376 1.941 -5.224 520 HG23 THR 70 HG23 THR 70 2.655 2.839 -3.735 521 H LEU 71 HN LEU 71 2.773 2.217 -1.237 522 HA LEU 71 HA LEU 71 2.674 -0.415 0.074 523 HB2 LEU 71 HB2 LEU 71 2.243 2.308 1.283 524 HB3 LEU 71 HB1 LEU 71 1.751 0.824 2.063 525 HG LEU 71 HG LEU 71 4.451 1.971 1.704 526 HD11 LEU 71 HD11 LEU 71 3.001 0.502 3.882 527 HD12 LEU 71 HD12 LEU 71 3.442 2.209 3.833 528 HD13 LEU 71 HD13 LEU 71 4.694 0.976 3.985 529 HD21 LEU 71 HD21 LEU 71 3.847 -0.954 1.574 530 HD22 LEU 71 HD22 LEU 71 5.333 -0.378 2.330 531 HD23 LEU 71 HD23 LEU 71 5.006 -0.009 0.638 532 H LYS 72 HN LYS 72 0.628 -1.294 0.391 533 HA LYS 72 HA LYS 72 -1.559 0.228 -0.864 534 HB2 LYS 72 HB2 LYS 72 -0.888 -1.881 -2.035 535 HB3 LYS 72 HB1 LYS 72 -1.372 -2.776 -0.601 536 HG2 LYS 72 HG2 LYS 72 -3.658 -1.994 -0.855 537 HG3 LYS 72 HG1 LYS 72 -3.186 -1.033 -2.258 538 HD2 LYS 72 HD2 LYS 72 -2.351 -3.268 -3.234 539 HD3 LYS 72 HD1 LYS 72 -3.346 -4.013 -1.982 540 HE2 LYS 72 HE2 LYS 72 -4.555 -3.831 -4.098 541 HE3 LYS 72 HE1 LYS 72 -5.310 -2.861 -2.834 542 HZ1 LYS 72 HZ1 LYS 72 -3.483 -1.804 -4.923 543 HZ2 LYS 72 HZ2 LYS 72 -4.298 -0.894 -3.753 544 HZ3 LYS 72 HZ3 LYS 72 -5.171 -1.689 -4.964 545 H ALA 73 HN ALA 73 -3.096 0.867 0.323 546 HA ALA 73 HA ALA 73 -3.384 -0.121 3.050 547 HB1 ALA 73 HB1 ALA 73 -4.780 2.201 1.739 548 HB2 ALA 73 HB2 ALA 73 -3.174 2.319 2.452 549 HB3 ALA 73 HB3 ALA 73 -4.566 1.909 3.469 550 H VAL 74 HN VAL 74 -5.438 -0.681 3.891 551 HA VAL 74 HA VAL 74 -7.519 -1.338 1.942 552 HB VAL 74 HB VAL 74 -6.230 -3.208 3.909 553 HG11 VAL 74 HG11 VAL 74 -8.998 -3.290 2.759 554 HG12 VAL 74 HG12 VAL 74 -8.468 -3.613 4.411 555 HG13 VAL 74 HG13 VAL 74 -8.135 -4.781 3.132 556 HG21 VAL 74 HG21 VAL 74 -7.028 -3.821 1.094 557 HG22 VAL 74 HG22 VAL 74 -5.732 -4.520 2.075 558 HG23 VAL 74 HG23 VAL 74 -5.564 -2.886 1.423 559 H ALA 75 HN ALA 75 -9.507 -0.848 2.620 560 HA ALA 75 HA ALA 75 -10.004 0.782 4.765 561 HB1 ALA 75 HB1 ALA 75 -11.813 -1.058 3.233 562 HB2 ALA 75 HB2 ALA 75 -11.627 0.695 3.087 563 HB3 ALA 75 HB3 ALA 75 -12.414 0.008 4.506 564 H LEU 76 HN LEU 76 -10.665 0.578 6.816 565 HA LEU 76 HA LEU 76 -10.076 -1.874 8.176 566 HB2 LEU 76 HB2 LEU 76 -11.316 0.670 9.233 567 HB3 LEU 76 HB1 LEU 76 -10.583 -0.608 10.192 568 HG LEU 76 HG LEU 76 -9.076 1.009 8.149 569 HD11 LEU 76 HD11 LEU 76 -9.797 2.530 9.871 570 HD12 LEU 76 HD12 LEU 76 -8.072 2.199 10.053 571 HD13 LEU 76 HD13 LEU 76 -9.239 1.422 11.127 572 HD21 LEU 76 HD21 LEU 76 -7.108 0.123 9.307 573 HD22 LEU 76 HD22 LEU 76 -8.106 -1.157 8.618 574 HD23 LEU 76 HD23 LEU 76 -8.162 -0.830 10.350 575 H ASP 77 HN ASP 77 -12.823 -0.023 7.160 576 HA ASP 77 HA ASP 77 -14.694 -2.064 8.129 577 HB2 ASP 77 HB2 ASP 77 -15.514 0.416 6.629 578 HB3 ASP 77 HB1 ASP 77 -16.443 -0.531 7.783 579 H ARG 78 HN ARG 78 -12.709 -2.387 5.978 580 HA ARG 78 HA ARG 78 -13.652 -2.212 3.423 581 HB2 ARG 78 HB2 ARG 78 -12.020 -3.736 2.808 582 HB3 ARG 78 HB1 ARG 78 -11.384 -2.925 4.220 583 HG2 ARG 78 HG2 ARG 78 -11.208 -4.837 5.355 584 HG3 ARG 78 HG1 ARG 78 -12.839 -5.347 4.885 585 HD2 ARG 78 HD2 ARG 78 -11.923 -5.827 2.613 586 HD3 ARG 78 HD1 ARG 78 -10.311 -5.576 3.282 587 HE ARG 78 HE ARG 78 -11.417 -7.434 4.935 588 HH11 ARG 78 HH11 ARG 78 -10.964 -7.230 1.484 589 HH12 ARG 78 HH12 ARG 78 -10.834 -8.944 1.272 590 HH21 ARG 78 HH21 ARG 78 -11.250 -9.689 4.663 591 HH22 ARG 78 HH22 ARG 78 -10.997 -10.342 3.079 592 H GLU 79 HN GLU 79 -14.655 -4.517 5.855 593 HA GLU 79 HA GLU 79 -15.793 -6.487 4.264 594 HB2 GLU 79 HB2 GLU 79 -17.155 -5.357 6.708 595 HB3 GLU 79 HB1 GLU 79 -17.214 -7.010 6.107 596 HG2 GLU 79 HG2 GLU 79 -14.848 -7.291 6.664 597 HG3 GLU 79 HG1 GLU 79 -14.809 -5.642 7.287 598 H ALA 80 HN ALA 80 -16.646 -3.263 4.883 599 HA ALA 80 HA ALA 80 -19.121 -3.398 3.345 600 HB1 ALA 80 HB1 ALA 80 -19.373 -1.028 4.269 601 HB2 ALA 80 HB2 ALA 80 -18.000 -1.418 5.314 602 HB3 ALA 80 HB3 ALA 80 -19.493 -2.356 5.424 603 H GLU 81 HN GLU 81 -15.876 -2.114 3.381 604 HA GLU 81 HA GLU 81 -16.360 -0.766 0.794 605 HB2 GLU 81 HB2 GLU 81 -14.122 0.027 2.608 606 HB3 GLU 81 HB1 GLU 81 -14.950 0.966 1.376 607 HG2 GLU 81 HG2 GLU 81 -16.253 0.122 3.945 608 HG3 GLU 81 HG1 GLU 81 -15.380 1.640 3.754 609 HA PRO 82 HA PRO 82 -13.344 -4.206 -0.021 610 HB2 PRO 82 HB2 PRO 82 -13.989 -4.338 -2.695 611 HB3 PRO 82 HB1 PRO 82 -14.789 -5.279 -1.430 612 HG2 PRO 82 HG2 PRO 82 -15.659 -2.731 -2.737 613 HG3 PRO 82 HG1 PRO 82 -16.624 -4.154 -2.300 614 HD2 PRO 82 HD2 PRO 82 -16.640 -1.926 -0.804 615 HD3 PRO 82 HD1 PRO 82 -16.745 -3.538 -0.068 616 H ARG 83 HN ARG 83 -13.838 -1.034 -1.207 617 HA ARG 83 HA ARG 83 -11.883 -0.738 -3.139 618 HB2 ARG 83 HB2 ARG 83 -13.049 1.147 -1.138 619 HB3 ARG 83 HB1 ARG 83 -11.717 1.667 -2.160 620 HG2 ARG 83 HG2 ARG 83 -13.141 0.862 -4.117 621 HG3 ARG 83 HG1 ARG 83 -14.472 0.820 -2.959 622 HD2 ARG 83 HD2 ARG 83 -14.166 3.174 -2.473 623 HD3 ARG 83 HD1 ARG 83 -12.775 3.239 -3.553 624 HE ARG 83 HE ARG 83 -15.279 2.392 -4.748 625 HH11 ARG 83 HH11 ARG 83 -13.058 5.002 -4.121 626 HH12 ARG 83 HH12 ARG 83 -13.670 6.001 -5.398 627 HH21 ARG 83 HH21 ARG 83 -16.090 3.701 -6.430 628 HH22 ARG 83 HH22 ARG 83 -15.392 5.261 -6.709 629 H VAL 84 HN VAL 84 -9.785 -0.310 -3.191 630 HA VAL 84 HA VAL 84 -8.253 -0.328 -0.679 631 HB VAL 84 HB VAL 84 -6.766 -1.581 -2.815 632 HG11 VAL 84 HG11 VAL 84 -7.438 -3.353 -0.686 633 HG12 VAL 84 HG12 VAL 84 -7.090 -1.748 -0.038 634 HG13 VAL 84 HG13 VAL 84 -5.896 -2.569 -1.045 635 HG21 VAL 84 HG21 VAL 84 -7.992 -3.562 -3.206 636 HG22 VAL 84 HG22 VAL 84 -9.124 -2.236 -3.497 637 HG23 VAL 84 HG23 VAL 84 -9.191 -3.142 -1.983 638 H LEU 85 HN LEU 85 -6.086 0.703 -0.912 639 HA LEU 85 HA LEU 85 -5.831 2.326 -3.348 640 HB2 LEU 85 HB2 LEU 85 -6.938 3.636 -1.503 641 HB3 LEU 85 HB1 LEU 85 -5.446 3.494 -0.600 642 HG LEU 85 HG LEU 85 -4.347 4.597 -2.669 643 HD11 LEU 85 HD11 LEU 85 -5.961 6.213 -3.771 644 HD12 LEU 85 HD12 LEU 85 -7.262 5.177 -3.165 645 HD13 LEU 85 HD13 LEU 85 -6.053 4.526 -4.285 646 HD21 LEU 85 HD21 LEU 85 -4.357 5.764 -0.631 647 HD22 LEU 85 HD22 LEU 85 -6.102 6.014 -0.681 648 HD23 LEU 85 HD23 LEU 85 -5.053 6.876 -1.810 649 H ARG 86 HN ARG 86 -3.732 3.343 -3.575 650 HA ARG 86 HA ARG 86 -1.529 2.263 -2.028 651 HB2 ARG 86 HB2 ARG 86 -0.863 0.724 -3.515 652 HB3 ARG 86 HB1 ARG 86 -2.249 1.073 -4.509 653 HG2 ARG 86 HG2 ARG 86 -1.019 2.724 -5.737 654 HG3 ARG 86 HG1 ARG 86 0.362 2.537 -4.659 655 HD2 ARG 86 HD2 ARG 86 0.759 0.314 -5.413 656 HD3 ARG 86 HD1 ARG 86 -0.772 0.273 -6.286 657 HE ARG 86 HE ARG 86 0.821 2.359 -7.294 658 HH11 ARG 86 HH11 ARG 86 0.664 -1.118 -7.216 659 HH12 ARG 86 HH12 ARG 86 1.480 -1.320 -8.730 660 HH21 ARG 86 HH21 ARG 86 1.894 2.107 -9.291 661 HH22 ARG 86 HH22 ARG 86 2.181 0.515 -9.910 662 H LEU 87 HN LEU 87 0.338 3.530 -2.189 663 HA LEU 87 HA LEU 87 0.368 5.736 -4.073 664 HB2 LEU 87 HB2 LEU 87 -0.907 6.489 -2.016 665 HB3 LEU 87 HB1 LEU 87 0.578 6.269 -1.121 666 HG LEU 87 HG LEU 87 1.636 8.086 -2.115 667 HD11 LEU 87 HD11 LEU 87 1.384 7.845 -4.404 668 HD12 LEU 87 HD12 LEU 87 0.395 9.271 -4.079 669 HD13 LEU 87 HD13 LEU 87 -0.368 7.697 -4.299 670 HD21 LEU 87 HD21 LEU 87 0.119 9.931 -1.785 671 HD22 LEU 87 HD22 LEU 87 -0.205 8.685 -0.577 672 HD23 LEU 87 HD23 LEU 87 -1.274 8.865 -1.968 673 H ASN 88 HN ASN 88 2.362 5.980 -4.816 674 HA ASN 88 HA ASN 88 4.521 4.672 -3.314 675 HB2 ASN 88 HB2 ASN 88 5.737 4.551 -5.435 676 HB3 ASN 88 HB1 ASN 88 4.139 3.832 -5.582 677 HD21 ASN 88 HD21 ASN 88 5.787 4.756 -7.694 678 HD22 ASN 88 HD22 ASN 88 4.939 6.030 -8.495 679 H GLU 89 HN GLU 89 6.785 5.730 -4.156 680 HA GLU 89 HA GLU 89 7.047 8.118 -2.700 681 HB2 GLU 89 HB2 GLU 89 9.309 8.101 -3.311 682 HB3 GLU 89 HB1 GLU 89 8.843 6.410 -3.286 683 HG2 GLU 89 HG2 GLU 89 8.950 8.062 -5.793 684 HG3 GLU 89 HG1 GLU 89 10.299 7.099 -5.198 685 H SER 90 HN SER 90 6.194 7.550 -6.002 686 HA SER 90 HA SER 90 6.848 10.225 -6.898 687 HB2 SER 90 HB2 SER 90 6.036 9.555 -9.039 688 HB3 SER 90 HB1 SER 90 6.891 8.156 -8.390 689 HG SER 90 HG SER 90 4.601 7.985 -9.337 690 H LEU 91 HN LEU 91 4.732 9.161 -4.843 691 HA LEU 91 HA LEU 91 2.763 9.827 -4.012 692 HB2 LEU 91 HB2 LEU 91 3.644 12.223 -5.533 693 HB3 LEU 91 HB1 LEU 91 2.142 12.228 -4.623 694 HG LEU 91 HG LEU 91 4.641 12.875 -3.665 695 HD11 LEU 91 HD11 LEU 91 3.547 13.049 -1.509 696 HD12 LEU 91 HD12 LEU 91 2.232 12.024 -2.085 697 HD13 LEU 91 HD13 LEU 91 2.483 13.620 -2.795 698 HD21 LEU 91 HD21 LEU 91 3.910 10.213 -2.470 699 HD22 LEU 91 HD22 LEU 91 5.259 11.250 -2.004 700 HD23 LEU 91 HD23 LEU 91 5.249 10.475 -3.589 701 H THR 92 HN THR 92 2.892 8.436 -6.609 702 HA THR 92 HA THR 92 0.391 9.275 -7.881 703 HB THR 92 HB THR 92 2.416 7.173 -8.652 704 HG1 THR 92 HG1 THR 92 2.032 9.836 -9.302 705 HG21 THR 92 HG21 THR 92 1.133 6.957 -10.750 706 HG22 THR 92 HG22 THR 92 -0.098 8.035 -10.091 707 HG23 THR 92 HG23 THR 92 0.188 6.462 -9.343 708 H ALA 93 HN ALA 93 -1.413 8.435 -7.042 709 HA ALA 93 HA ALA 93 -1.235 5.838 -5.675 710 HB1 ALA 93 HB1 ALA 93 -2.948 8.236 -5.323 711 HB2 ALA 93 HB2 ALA 93 -2.156 7.223 -4.114 712 HB3 ALA 93 HB3 ALA 93 -3.622 6.658 -4.922 713 H VAL 94 HN VAL 94 -2.844 4.329 -5.873 714 HA VAL 94 HA VAL 94 -4.753 4.592 -8.069 715 HB VAL 94 HB VAL 94 -2.864 3.476 -9.129 716 HG11 VAL 94 HG11 VAL 94 -3.072 1.540 -6.826 717 HG12 VAL 94 HG12 VAL 94 -1.714 2.583 -7.243 718 HG13 VAL 94 HG13 VAL 94 -2.144 1.234 -8.294 719 HG21 VAL 94 HG21 VAL 94 -5.221 1.690 -8.524 720 HG22 VAL 94 HG22 VAL 94 -3.997 1.298 -9.731 721 HG23 VAL 94 HG23 VAL 94 -4.989 2.745 -9.920 722 H VAL 95 HN VAL 95 -6.616 3.861 -7.599 723 HA VAL 95 HA VAL 95 -7.004 2.419 -5.084 724 HB VAL 95 HB VAL 95 -8.143 4.501 -5.129 725 HG11 VAL 95 HG11 VAL 95 -7.970 4.796 -7.579 726 HG12 VAL 95 HG12 VAL 95 -9.577 5.201 -6.950 727 HG13 VAL 95 HG13 VAL 95 -9.319 3.667 -7.785 728 HG21 VAL 95 HG21 VAL 95 -9.443 2.535 -4.289 729 HG22 VAL 95 HG22 VAL 95 -10.213 2.435 -5.874 730 HG23 VAL 95 HG23 VAL 95 -10.444 3.867 -4.872 731 H CYS 96 HN CYS 96 -8.455 0.708 -4.962 732 HA CYS 96 HA CYS 96 -9.210 -0.550 -7.499 733 HB2 CYS 96 HB2 CYS 96 -8.002 -1.770 -5.027 734 HB3 CYS 96 HB1 CYS 96 -8.979 -2.731 -6.127 735 H GLY 97 HN GLY 97 -11.100 -1.835 -7.425 736 HA2 GLY 97 HA2 GLY 97 -12.966 -0.896 -5.359 737 HA3 GLY 97 HA1 GLY 97 -13.422 -1.368 -6.991 738 H LYS 98 HN LYS 98 -11.086 -3.393 -6.023 739 HA LYS 98 HA LYS 98 -12.702 -5.240 -4.507 740 HB2 LYS 98 HB2 LYS 98 -13.002 -5.383 -7.170 741 HB3 LYS 98 HB1 LYS 98 -11.581 -6.386 -6.994 742 HG2 LYS 98 HG2 LYS 98 -14.209 -6.767 -5.592 743 HG3 LYS 98 HG1 LYS 98 -13.611 -7.707 -6.968 744 HD2 LYS 98 HD2 LYS 98 -12.736 -9.121 -5.463 745 HD3 LYS 98 HD1 LYS 98 -11.571 -7.851 -5.078 746 HE2 LYS 98 HE2 LYS 98 -12.569 -8.536 -3.031 747 HE3 LYS 98 HE1 LYS 98 -13.228 -6.951 -3.438 748 HZ1 LYS 98 HZ1 LYS 98 -14.572 -9.569 -3.849 749 HZ2 LYS 98 HZ2 LYS 98 -15.197 -8.075 -4.336 750 HZ3 LYS 98 HZ3 LYS 98 -14.978 -8.402 -2.691 751 H MET 99 HN MET 99 -11.424 -6.121 -3.058 752 HA MET 99 HA MET 99 -8.563 -6.422 -3.692 753 HB2 MET 99 HB2 MET 99 -9.440 -4.897 -1.723 754 HB3 MET 99 HB1 MET 99 -9.547 -6.415 -0.877 755 HG2 MET 99 HG2 MET 99 -7.045 -6.442 -2.083 756 HG3 MET 99 HG1 MET 99 -7.239 -4.807 -1.454 757 HE1 MET 99 HE1 MET 99 -8.988 -7.898 -0.205 758 HE2 MET 99 HE2 MET 99 -7.932 -8.551 1.055 759 HE3 MET 99 HE3 MET 99 -7.429 -8.595 -0.640 760 H LYS 100 HN LYS 100 -8.193 -8.435 -4.268 761 HA LYS 100 HA LYS 100 -9.763 -10.582 -3.062 762 HB2 LYS 100 HB2 LYS 100 -7.787 -10.797 -5.332 763 HB3 LYS 100 HB1 LYS 100 -9.013 -11.969 -4.866 764 HG2 LYS 100 HG2 LYS 100 -10.772 -10.432 -5.514 765 HG3 LYS 100 HG1 LYS 100 -9.572 -9.204 -5.920 766 HD2 LYS 100 HD2 LYS 100 -8.691 -10.589 -7.691 767 HD3 LYS 100 HD1 LYS 100 -9.763 -11.914 -7.231 768 HE2 LYS 100 HE2 LYS 100 -10.662 -9.205 -8.210 769 HE3 LYS 100 HE1 LYS 100 -10.586 -10.668 -9.194 770 HZ1 LYS 100 HZ1 LYS 100 -12.199 -11.697 -7.707 771 HZ2 LYS 100 HZ2 LYS 100 -12.821 -10.277 -8.384 772 HZ3 LYS 100 HZ3 LYS 100 -12.278 -10.282 -6.783 773 H GLY 101 HN GLY 101 -6.334 -10.321 -4.041 774 HA2 GLY 101 HA2 GLY 101 -5.566 -12.264 -2.053 775 HA3 GLY 101 HA1 GLY 101 -4.498 -11.443 -3.177 776 H LYS 102 HN LYS 102 -3.005 -10.330 -2.182 777 HA LYS 102 HA LYS 102 -1.841 -9.410 -0.418 778 HB2 LYS 102 HB2 LYS 102 -2.794 -7.085 0.065 779 HB3 LYS 102 HB1 LYS 102 -2.334 -7.467 -1.585 780 HG2 LYS 102 HG2 LYS 102 -4.994 -8.186 -1.410 781 HG3 LYS 102 HG1 LYS 102 -4.874 -6.678 -0.511 782 HD2 LYS 102 HD2 LYS 102 -5.225 -5.865 -2.632 783 HD3 LYS 102 HD1 LYS 102 -3.461 -5.927 -2.608 784 HE2 LYS 102 HE2 LYS 102 -5.253 -8.091 -3.708 785 HE3 LYS 102 HE1 LYS 102 -4.449 -6.861 -4.680 786 HZ1 LYS 102 HZ1 LYS 102 -2.324 -7.716 -3.993 787 HZ2 LYS 102 HZ2 LYS 102 -3.245 -8.983 -4.631 788 HZ3 LYS 102 HZ3 LYS 102 -3.053 -8.836 -2.958 789 H GLY 103 HN GLY 103 -3.214 -7.500 1.488 790 HA2 GLY 103 HA2 GLY 103 -4.562 -9.445 3.231 791 HA3 GLY 103 HA1 GLY 103 -3.152 -8.591 3.834 792 H SER 104 HN SER 104 -5.946 -8.597 4.754 793 HA SER 104 HA SER 104 -6.432 -5.704 4.587 794 HB2 SER 104 HB2 SER 104 -8.568 -7.795 4.879 795 HB3 SER 104 HB1 SER 104 -8.790 -6.068 4.633 796 HG SER 104 HG SER 104 -8.545 -7.969 2.796 797 H CYS 105 HN CYS 105 -6.889 -4.657 6.472 798 HA CYS 105 HA CYS 105 -6.100 -5.809 8.904 799 HB2 CYS 105 HB2 CYS 105 -6.947 -3.229 8.061 800 HB3 CYS 105 HB1 CYS 105 -7.941 -3.678 9.440 801 H THR 106 HN THR 106 -7.868 -5.475 10.857 802 HA THR 106 HA THR 106 -9.739 -6.276 11.893 803 HB THR 106 HB THR 106 -11.767 -6.484 10.824 804 HG1 THR 106 HG1 THR 106 -11.567 -8.194 9.508 805 HG21 THR 106 HG21 THR 106 -11.143 -5.164 8.391 806 HG22 THR 106 HG22 THR 106 -10.042 -4.544 9.628 807 HG23 THR 106 HG23 THR 106 -11.785 -4.467 9.884 808 H ASP 107 HN ASP 107 -8.004 -8.063 9.534 809 HA ASP 107 HA ASP 107 -8.730 -10.580 10.873 810 HB2 ASP 107 HB2 ASP 107 -7.942 -10.128 7.986 811 HB3 ASP 107 HB1 ASP 107 -8.144 -11.715 8.727 812 H GLY 108 HN GLY 108 -6.123 -9.121 8.912 813 HA2 GLY 108 HA2 GLY 108 -4.083 -9.206 10.719 814 HA3 GLY 108 HA1 GLY 108 -4.137 -10.843 10.083 815 H GLU 109 HN GLU 109 -4.080 -7.461 8.938 816 HA GLU 109 HA GLU 109 -3.166 -7.962 6.366 817 HB2 GLU 109 HB2 GLU 109 -3.571 -5.705 8.030 818 HB3 GLU 109 HB1 GLU 109 -1.999 -5.540 7.263 819 HG2 GLU 109 HG2 GLU 109 -3.076 -5.928 5.082 820 HG3 GLU 109 HG1 GLU 109 -4.632 -5.963 5.903 821 H GLU 110 HN GLU 110 -1.118 -7.938 5.413 822 HA GLU 110 HA GLU 110 1.207 -7.901 7.143 823 HB2 GLU 110 HB2 GLU 110 2.073 -10.019 6.179 824 HB3 GLU 110 HB1 GLU 110 0.656 -10.226 7.201 825 HG2 GLU 110 HG2 GLU 110 -0.739 -10.273 5.187 826 HG3 GLU 110 HG1 GLU 110 0.722 -10.188 4.212 827 H ILE 111 HN ILE 111 0.170 -8.559 3.799 828 HA ILE 111 HA ILE 111 1.878 -6.443 2.842 829 HB ILE 111 HB ILE 111 3.027 -7.921 1.180 830 HG12 ILE 111 HG12 ILE 111 3.331 -10.319 2.033 831 HG13 ILE 111 HG11 ILE 111 1.884 -10.038 2.992 832 HG21 ILE 111 HG21 ILE 111 3.979 -6.959 3.347 833 HG22 ILE 111 HG22 ILE 111 4.855 -8.289 2.578 834 HG23 ILE 111 HG23 ILE 111 3.829 -8.602 3.982 835 HD11 ILE 111 HD11 ILE 111 2.146 -10.011 0.005 836 HD12 ILE 111 HD12 ILE 111 0.692 -9.500 0.873 837 HD13 ILE 111 HD13 ILE 111 1.264 -11.161 1.009 838 H PHE 112 HN PHE 112 1.933 -6.572 0.308 839 HA PHE 112 HA PHE 112 -0.849 -6.878 -0.559 840 HB2 PHE 112 HB2 PHE 112 -0.278 -4.604 -0.680 841 HB3 PHE 112 HB1 PHE 112 1.330 -4.946 -1.291 842 HD1 PHE 112 HD2 PHE 112 -1.662 -6.516 -2.761 843 HD2 PHE 112 HD1 PHE 112 1.168 -3.357 -3.053 844 HE1 PHE 112 HE2 PHE 112 -2.425 -6.053 -5.050 845 HE2 PHE 112 HE1 PHE 112 0.407 -2.890 -5.340 846 HZ PHE 112 HZ PHE 112 -1.389 -4.236 -6.346 847 H ARG 113 HN ARG 113 -0.195 -9.249 -0.916 848 HA ARG 113 HA ARG 113 0.948 -9.497 -3.613 849 HB2 ARG 113 HB2 ARG 113 2.034 -11.486 -3.070 850 HB3 ARG 113 HB1 ARG 113 2.289 -10.493 -1.652 851 HG2 ARG 113 HG2 ARG 113 0.381 -11.643 -0.569 852 HG3 ARG 113 HG1 ARG 113 0.303 -12.727 -1.964 853 HD2 ARG 113 HD2 ARG 113 2.631 -13.390 -1.531 854 HD3 ARG 113 HD1 ARG 113 2.641 -12.336 -0.117 855 HE ARG 113 HE ARG 113 0.513 -14.008 0.272 856 HH11 ARG 113 HH11 ARG 113 3.927 -14.437 -0.273 857 HH12 ARG 113 HH12 ARG 113 4.017 -15.906 0.638 858 HH21 ARG 113 HH21 ARG 113 0.625 -15.940 1.476 859 HH22 ARG 113 HH22 ARG 113 2.143 -16.758 1.635 860 H GLY 114 HN GLY 114 -0.432 -10.214 -5.107 861 HA2 GLY 114 HA2 GLY 114 -1.998 -12.364 -5.219 862 HA3 GLY 114 HA1 GLY 114 -2.992 -11.303 -4.234 863 H ASN 115 HN ASN 115 -4.480 -10.217 -5.318 864 HA ASN 115 HA ASN 115 -3.893 -8.822 -7.730 865 HB2 ASN 115 HB2 ASN 115 -4.821 -11.527 -7.970 866 HB3 ASN 115 HB1 ASN 115 -6.051 -10.432 -8.593 867 HD21 ASN 115 HD21 ASN 115 -5.720 -11.138 -10.698 868 HD22 ASN 115 HD22 ASN 115 -4.325 -10.681 -11.611 869 H ASP 116 HN ASP 116 -5.288 -7.207 -8.090 870 HA ASP 116 HA ASP 116 -7.746 -7.149 -6.468 871 HB2 ASP 116 HB2 ASP 116 -7.309 -4.533 -7.005 872 HB3 ASP 116 HB1 ASP 116 -6.741 -5.325 -5.543 873 H ALA 117 HN ALA 117 -9.526 -5.910 -7.398 874 HA ALA 117 HA ALA 117 -9.455 -5.819 -10.342 875 HB1 ALA 117 HB1 ALA 117 -11.878 -6.643 -8.758 876 HB2 ALA 117 HB2 ALA 117 -10.700 -7.807 -9.379 877 HB3 ALA 117 HB3 ALA 117 -11.601 -6.784 -10.498 878 H GLU 118 HN GLU 118 -11.228 -4.514 -11.261 879 HA GLU 118 HA GLU 118 -12.171 -2.457 -11.520 880 HB2 GLU 118 HB2 GLU 118 -12.917 -3.089 -8.658 881 HB3 GLU 118 HB1 GLU 118 -13.631 -1.777 -9.599 882 HG2 GLU 118 HG2 GLU 118 -14.275 -3.599 -11.280 883 HG3 GLU 118 HG1 GLU 118 -13.893 -4.737 -9.986 884 H CYS 119 HN CYS 119 -9.630 -1.889 -11.400 885 HA CYS 119 HA CYS 119 -9.368 0.141 -9.266 886 HB2 CYS 119 HB2 CYS 119 -6.977 -1.050 -10.622 887 HB3 CYS 119 HB1 CYS 119 -7.082 -0.246 -9.069 888 H ARG 120 HN ARG 120 -8.526 2.083 -9.689 889 HA ARG 120 HA ARG 120 -7.737 2.814 -12.389 890 HB2 ARG 120 HB2 ARG 120 -9.302 4.503 -12.584 891 HB3 ARG 120 HB1 ARG 120 -10.232 3.206 -11.852 892 HG2 ARG 120 HG2 ARG 120 -10.840 4.636 -10.294 893 HG3 ARG 120 HG1 ARG 120 -9.176 4.600 -9.716 894 HD2 ARG 120 HD2 ARG 120 -8.590 6.515 -10.891 895 HD3 ARG 120 HD1 ARG 120 -9.982 6.399 -11.963 896 HE ARG 120 HE ARG 120 -10.930 6.768 -9.365 897 HH11 ARG 120 HH11 ARG 120 -9.083 8.510 -11.751 898 HH12 ARG 120 HH12 ARG 120 -9.624 10.068 -11.222 899 HH21 ARG 120 HH21 ARG 120 -11.654 8.814 -8.667 900 HH22 ARG 120 HH22 ARG 120 -11.087 10.240 -9.469 901 HA PRO 121 HA PRO 121 -4.716 5.225 -10.239 902 HB2 PRO 121 HB2 PRO 121 -4.386 7.390 -11.769 903 HB3 PRO 121 HB1 PRO 121 -3.902 5.778 -12.321 904 HG2 PRO 121 HG2 PRO 121 -6.430 7.274 -12.908 905 HG3 PRO 121 HG1 PRO 121 -5.337 6.460 -14.043 906 HD2 PRO 121 HD2 PRO 121 -7.579 5.269 -13.173 907 HD3 PRO 121 HD1 PRO 121 -6.084 4.348 -13.436 908 H PHE 122 HN PHE 122 -4.980 6.269 -8.388 909 HA PHE 122 HA PHE 122 -7.058 8.335 -8.195 910 HB2 PHE 122 HB2 PHE 122 -6.542 6.093 -6.610 911 HB3 PHE 122 HB1 PHE 122 -5.949 7.446 -5.666 912 HD1 PHE 122 HD2 PHE 122 -8.833 7.636 -7.986 913 HD2 PHE 122 HD1 PHE 122 -7.524 7.392 -3.948 914 HE1 PHE 122 HE2 PHE 122 -11.114 8.150 -7.220 915 HE2 PHE 122 HE1 PHE 122 -9.797 7.893 -3.170 916 HZ PHE 122 HZ PHE 122 -11.601 8.281 -4.808 917 H THR 123 HN THR 123 -6.622 10.332 -7.336 918 HA THR 123 HA THR 123 -3.812 10.893 -6.670 919 HB THR 123 HB THR 123 -4.049 13.112 -7.746 920 HG1 THR 123 HG1 THR 123 -5.866 13.655 -8.790 921 HG21 THR 123 HG21 THR 123 -4.573 10.779 -9.581 922 HG22 THR 123 HG22 THR 123 -3.003 11.252 -8.933 923 HG23 THR 123 HG23 THR 123 -3.858 12.324 -10.040 924 H GLY 124 HN GLY 124 -3.862 11.225 -4.552 925 HA2 GLY 124 HA2 GLY 124 -6.025 12.200 -3.059 926 HA3 GLY 124 HA1 GLY 124 -4.357 12.138 -2.518 Start of MODEL 13 1 H1 HIS 6 HT1 HIS 6 -23.539 4.040 -2.465 2 H2 HIS 6 HT2 HIS 6 -22.853 3.365 -3.856 3 H3 HIS 6 HT3 HIS 6 -23.798 4.762 -3.973 4 HA HIS 6 HA HIS 6 -21.459 5.282 -4.165 5 HB2 HIS 6 HB2 HIS 6 -21.367 6.952 -2.266 6 HB3 HIS 6 HB1 HIS 6 -22.813 7.026 -3.266 7 HD1 HIS 6 HD1 HIS 6 -24.979 5.799 -2.187 8 HD2 HIS 6 HD2 HIS 6 -21.849 6.685 0.399 9 HE1 HIS 6 HE1 HIS 6 -25.961 5.678 0.125 10 HE2 HIS 6 HE2 HIS 6 -24.045 6.193 1.676 11 H ARG 7 HN ARG 7 -19.664 4.139 -3.920 12 HA ARG 7 HA ARG 7 -19.134 2.770 -1.407 13 HB2 ARG 7 HB2 ARG 7 -18.807 1.409 -3.332 14 HB3 ARG 7 HB1 ARG 7 -17.840 2.643 -4.122 15 HG2 ARG 7 HG2 ARG 7 -16.461 0.806 -3.343 16 HG3 ARG 7 HG1 ARG 7 -16.053 2.300 -2.503 17 HD2 ARG 7 HD2 ARG 7 -17.978 0.329 -1.314 18 HD3 ARG 7 HD1 ARG 7 -16.238 0.115 -1.147 19 HE ARG 7 HE ARG 7 -16.241 2.365 -0.080 20 HH11 ARG 7 HH11 ARG 7 -19.156 0.452 -0.139 21 HH12 ARG 7 HH12 ARG 7 -19.828 1.203 1.270 22 HH21 ARG 7 HH21 ARG 7 -17.121 3.357 1.770 23 HH22 ARG 7 HH22 ARG 7 -18.671 2.852 2.354 24 H SER 8 HN SER 8 -16.638 4.062 -3.471 25 HA SER 8 HA SER 8 -14.697 5.143 -2.865 26 HB2 SER 8 HB2 SER 8 -15.136 7.506 -2.143 27 HB3 SER 8 HB1 SER 8 -16.064 7.012 -3.563 28 HG SER 8 HG SER 8 -17.818 6.576 -2.075 29 H ALA 9 HN ALA 9 -14.175 3.536 -1.238 30 HA ALA 9 HA ALA 9 -14.841 3.698 1.456 31 HB1 ALA 9 HB1 ALA 9 -12.834 2.348 1.851 32 HB2 ALA 9 HB2 ALA 9 -12.289 2.687 0.209 33 HB3 ALA 9 HB3 ALA 9 -13.765 1.755 0.474 34 H ASN 10 HN ASN 10 -12.716 3.913 3.032 35 HA ASN 10 HA ASN 10 -12.279 6.745 3.129 36 HB2 ASN 10 HB2 ASN 10 -11.252 4.504 4.882 37 HB3 ASN 10 HB1 ASN 10 -11.017 6.217 5.214 38 HD21 ASN 10 HD21 ASN 10 -12.142 6.150 7.134 39 HD22 ASN 10 HD22 ASN 10 -13.857 5.960 7.206 40 H LEU 11 HN LEU 11 -11.139 5.649 0.788 41 HA LEU 11 HA LEU 11 -8.410 5.064 0.941 42 HB2 LEU 11 HB2 LEU 11 -9.672 6.709 -1.234 43 HB3 LEU 11 HB1 LEU 11 -8.277 5.670 -1.342 44 HG LEU 11 HG LEU 11 -10.880 4.458 -0.637 45 HD11 LEU 11 HD11 LEU 11 -10.056 5.230 -3.421 46 HD12 LEU 11 HD12 LEU 11 -11.383 5.947 -2.497 47 HD13 LEU 11 HD13 LEU 11 -11.465 4.253 -2.989 48 HD21 LEU 11 HD21 LEU 11 -8.693 3.483 -2.453 49 HD22 LEU 11 HD22 LEU 11 -9.994 2.540 -1.722 50 HD23 LEU 11 HD23 LEU 11 -8.703 3.197 -0.714 51 H ARG 12 HN ARG 12 -10.139 7.928 1.414 52 HA ARG 12 HA ARG 12 -8.145 9.827 0.784 53 HB2 ARG 12 HB2 ARG 12 -9.989 10.668 2.879 54 HB3 ARG 12 HB1 ARG 12 -9.748 11.333 1.272 55 HG2 ARG 12 HG2 ARG 12 -11.475 8.965 1.978 56 HG3 ARG 12 HG1 ARG 12 -12.038 10.583 1.569 57 HD2 ARG 12 HD2 ARG 12 -10.497 8.743 -0.268 58 HD3 ARG 12 HD1 ARG 12 -12.241 9.012 -0.320 59 HE ARG 12 HE ARG 12 -10.687 11.423 -0.556 60 HH11 ARG 12 HH11 ARG 12 -12.098 8.737 -2.271 61 HH12 ARG 12 HH12 ARG 12 -12.168 9.575 -3.786 62 HH21 ARG 12 HH21 ARG 12 -10.779 12.534 -2.547 63 HH22 ARG 12 HH22 ARG 12 -11.419 11.731 -3.942 64 H ALA 13 HN ALA 13 -8.890 7.921 3.584 65 HA ALA 13 HA ALA 13 -7.092 9.291 5.360 66 HB1 ALA 13 HB1 ALA 13 -7.588 7.576 6.924 67 HB2 ALA 13 HB2 ALA 13 -8.170 6.500 5.655 68 HB3 ALA 13 HB3 ALA 13 -9.094 7.943 6.083 69 H ALA 14 HN ALA 14 -7.041 6.561 3.237 70 HA ALA 14 HA ALA 14 -4.479 5.579 4.038 71 HB1 ALA 14 HB1 ALA 14 -5.995 5.062 1.477 72 HB2 ALA 14 HB2 ALA 14 -6.284 4.205 2.996 73 HB3 ALA 14 HB3 ALA 14 -4.724 4.064 2.186 74 H HIS 15 HN HIS 15 -5.753 7.613 1.506 75 HA HIS 15 HA HIS 15 -3.634 7.854 -0.185 76 HB2 HIS 15 HB2 HIS 15 -5.989 9.401 0.527 77 HB3 HIS 15 HB1 HIS 15 -4.647 10.444 0.093 78 HD1 HIS 15 HD1 HIS 15 -3.397 9.319 -2.250 79 HD2 HIS 15 HD2 HIS 15 -7.488 8.912 -1.653 80 HE1 HIS 15 HE1 HIS 15 -4.372 8.904 -4.520 81 HE2 HIS 15 HE2 HIS 15 -6.850 8.963 -4.157 82 H ALA 16 HN ALA 16 -4.159 9.216 2.989 83 HA ALA 16 HA ALA 16 -1.753 10.824 2.891 84 HB1 ALA 16 HB1 ALA 16 -3.653 10.316 5.181 85 HB2 ALA 16 HB2 ALA 16 -3.697 11.699 4.084 86 HB3 ALA 16 HB3 ALA 16 -2.326 11.480 5.174 87 H ALA 17 HN ALA 17 -2.788 7.696 4.041 88 HA ALA 17 HA ALA 17 -0.573 7.270 5.783 89 HB1 ALA 17 HB1 ALA 17 -2.604 6.007 6.071 90 HB2 ALA 17 HB2 ALA 17 -1.247 4.923 5.747 91 HB3 ALA 17 HB3 ALA 17 -2.414 5.295 4.469 92 H LEU 18 HN LEU 18 -1.363 5.798 2.612 93 HA LEU 18 HA LEU 18 1.155 4.680 2.137 94 HB2 LEU 18 HB2 LEU 18 -0.827 5.745 0.116 95 HB3 LEU 18 HB1 LEU 18 0.512 4.683 -0.260 96 HG LEU 18 HG LEU 18 -1.022 3.065 -0.152 97 HD11 LEU 18 HD11 LEU 18 -1.425 2.086 2.012 98 HD12 LEU 18 HD12 LEU 18 -0.942 3.586 2.805 99 HD13 LEU 18 HD13 LEU 18 0.243 2.647 1.895 100 HD21 LEU 18 HD21 LEU 18 -2.685 4.985 -0.060 101 HD22 LEU 18 HD22 LEU 18 -2.811 4.618 1.666 102 HD23 LEU 18 HD23 LEU 18 -3.231 3.389 0.469 103 H LEU 19 HN LEU 19 -0.018 7.892 1.951 104 HA LEU 19 HA LEU 19 2.172 8.971 0.418 105 HB2 LEU 19 HB2 LEU 19 0.173 10.226 0.332 106 HB3 LEU 19 HB1 LEU 19 -0.073 10.123 2.059 107 HG LEU 19 HG LEU 19 0.631 12.376 0.983 108 HD11 LEU 19 HD11 LEU 19 2.096 11.353 3.401 109 HD12 LEU 19 HD12 LEU 19 0.414 11.885 3.395 110 HD13 LEU 19 HD13 LEU 19 1.707 13.032 3.029 111 HD21 LEU 19 HD21 LEU 19 2.616 11.192 -0.144 112 HD22 LEU 19 HD22 LEU 19 3.380 11.293 1.441 113 HD23 LEU 19 HD23 LEU 19 2.891 12.766 0.603 114 H GLU 20 HN GLU 20 1.139 8.907 3.779 115 HA GLU 20 HA GLU 20 3.269 10.157 5.023 116 HB2 GLU 20 HB2 GLU 20 1.226 9.542 6.212 117 HB3 GLU 20 HB1 GLU 20 1.599 7.840 5.992 118 HG2 GLU 20 HG2 GLU 20 2.238 8.223 8.166 119 HG3 GLU 20 HG1 GLU 20 3.756 8.359 7.275 120 H ASN 21 HN ASN 21 2.938 7.050 3.606 121 HA ASN 21 HA ASN 21 5.400 5.997 4.684 122 HB2 ASN 21 HB2 ASN 21 4.015 4.208 4.275 123 HB3 ASN 21 HB1 ASN 21 3.221 4.992 2.914 124 HD21 ASN 21 HD21 ASN 21 4.079 4.817 0.882 125 HD22 ASN 21 HD22 ASN 21 5.341 3.703 0.493 126 H ALA 22 HN ALA 22 4.092 6.983 1.558 127 HA ALA 22 HA ALA 22 6.189 6.656 -0.126 128 HB1 ALA 22 HB1 ALA 22 5.288 8.478 -1.467 129 HB2 ALA 22 HB2 ALA 22 4.382 9.074 -0.076 130 HB3 ALA 22 HB3 ALA 22 3.977 7.511 -0.790 131 H ARG 23 HN ARG 23 5.830 9.230 2.257 132 HA ARG 23 HA ARG 23 8.134 10.689 1.339 133 HB2 ARG 23 HB2 ARG 23 7.905 11.925 3.470 134 HB3 ARG 23 HB1 ARG 23 6.384 11.844 2.590 135 HG2 ARG 23 HG2 ARG 23 5.572 10.123 4.082 136 HG3 ARG 23 HG1 ARG 23 7.131 10.067 4.906 137 HD2 ARG 23 HD2 ARG 23 5.245 12.416 4.809 138 HD3 ARG 23 HD1 ARG 23 5.526 11.360 6.192 139 HE ARG 23 HE ARG 23 7.961 12.504 5.330 140 HH11 ARG 23 HH11 ARG 23 5.003 13.313 6.988 141 HH12 ARG 23 HH12 ARG 23 5.721 14.587 7.914 142 HH21 ARG 23 HH21 ARG 23 8.913 14.181 6.547 143 HH22 ARG 23 HH22 ARG 23 7.943 15.079 7.666 144 H PHE 24 HN PHE 24 7.429 8.442 3.979 145 HA PHE 24 HA PHE 24 10.029 8.313 5.030 146 HB2 PHE 24 HB2 PHE 24 7.517 6.853 5.314 147 HB3 PHE 24 HB1 PHE 24 8.918 5.804 5.468 148 HD1 PHE 24 HD2 PHE 24 10.549 6.178 7.267 149 HD2 PHE 24 HD1 PHE 24 6.983 8.480 6.966 150 HE1 PHE 24 HE2 PHE 24 10.839 6.924 9.595 151 HE2 PHE 24 HE1 PHE 24 7.266 9.232 9.292 152 HZ PHE 24 HZ PHE 24 9.195 8.453 10.610 153 H MET 25 HN MET 25 8.551 7.058 2.221 154 HA MET 25 HA MET 25 10.468 4.986 1.666 155 HB2 MET 25 HB2 MET 25 8.429 6.379 -0.100 156 HB3 MET 25 HB1 MET 25 9.386 4.993 -0.587 157 HG2 MET 25 HG2 MET 25 7.272 5.082 1.545 158 HG3 MET 25 HG1 MET 25 7.167 4.296 -0.023 159 HE1 MET 25 HE1 MET 25 8.029 4.307 3.474 160 HE2 MET 25 HE2 MET 25 9.759 4.032 3.247 161 HE3 MET 25 HE3 MET 25 8.732 2.733 3.860 162 H GLU 26 HN GLU 26 9.640 8.147 0.368 163 HA GLU 26 HA GLU 26 11.785 8.575 -1.326 164 HB2 GLU 26 HB2 GLU 26 9.748 10.196 0.057 165 HB3 GLU 26 HB1 GLU 26 11.195 11.083 -0.368 166 HG2 GLU 26 HG2 GLU 26 10.832 10.016 -2.713 167 HG3 GLU 26 HG1 GLU 26 9.186 9.774 -2.127 168 H GLN 27 HN GLN 27 11.581 8.578 2.105 169 HA GLN 27 HA GLN 27 14.030 10.053 2.517 170 HB2 GLN 27 HB2 GLN 27 12.037 8.768 4.315 171 HB3 GLN 27 HB1 GLN 27 13.601 9.256 4.939 172 HG2 GLN 27 HG2 GLN 27 11.662 11.062 3.535 173 HG3 GLN 27 HG1 GLN 27 11.842 10.939 5.281 174 HE21 GLN 27 HE21 GLN 27 13.714 11.750 6.258 175 HE22 GLN 27 HE22 GLN 27 14.757 12.861 5.446 176 H PHE 28 HN PHE 28 12.905 6.727 3.157 177 HA PHE 28 HA PHE 28 15.256 5.635 4.074 178 HB2 PHE 28 HB2 PHE 28 13.105 4.412 3.914 179 HB3 PHE 28 HB1 PHE 28 13.324 4.299 2.180 180 HD1 PHE 28 HD2 PHE 28 14.572 3.206 5.451 181 HD2 PHE 28 HD1 PHE 28 14.771 2.693 1.237 182 HE1 PHE 28 HE2 PHE 28 15.810 1.105 5.774 183 HE2 PHE 28 HE1 PHE 28 15.991 0.593 1.549 184 HZ PHE 28 HZ PHE 28 16.520 -0.203 3.816 185 H TYR 29 HN TYR 29 14.251 6.322 0.786 186 HA TYR 29 HA TYR 29 16.576 5.220 -0.470 187 HB2 TYR 29 HB2 TYR 29 14.537 5.484 -1.765 188 HB3 TYR 29 HB1 TYR 29 14.483 7.205 -1.412 189 HD1 TYR 29 HD1 TYR 29 16.107 4.597 -3.415 190 HD2 TYR 29 HD2 TYR 29 15.900 8.767 -2.604 191 HE1 TYR 29 HE1 TYR 29 17.378 5.054 -5.470 192 HE2 TYR 29 HE2 TYR 29 17.168 9.238 -4.655 193 HH TYR 29 HH TYR 29 17.740 6.873 -7.046 194 H ALA 30 HN ALA 30 15.515 8.377 0.680 195 HA ALA 30 HA ALA 30 17.730 9.873 -0.265 196 HB1 ALA 30 HB1 ALA 30 15.776 10.341 1.984 197 HB2 ALA 30 HB2 ALA 30 15.750 11.040 0.367 198 HB3 ALA 30 HB3 ALA 30 17.006 11.513 1.509 199 H LYS 31 HN LYS 31 17.388 7.567 2.172 200 HA LYS 31 HA LYS 31 19.778 8.458 3.622 201 HB2 LYS 31 HB2 LYS 31 17.813 6.290 4.383 202 HB3 LYS 31 HB1 LYS 31 19.082 6.964 5.395 203 HG2 LYS 31 HG2 LYS 31 17.875 8.793 5.930 204 HG3 LYS 31 HG1 LYS 31 17.087 8.873 4.355 205 HD2 LYS 31 HD2 LYS 31 15.520 7.196 4.937 206 HD3 LYS 31 HD1 LYS 31 16.453 6.719 6.360 207 HE2 LYS 31 HE2 LYS 31 15.070 9.371 5.984 208 HE3 LYS 31 HE1 LYS 31 14.447 8.026 6.935 209 HZ1 LYS 31 HZ1 LYS 31 16.975 9.495 7.465 210 HZ2 LYS 31 HZ2 LYS 31 16.382 8.200 8.377 211 HZ3 LYS 31 HZ3 LYS 31 15.533 9.663 8.335 212 H LYS 32 HN LYS 32 18.496 6.015 1.537 213 HA LYS 32 HA LYS 32 20.994 4.476 1.749 214 HB2 LYS 32 HB2 LYS 32 18.148 3.633 1.500 215 HB3 LYS 32 HB1 LYS 32 19.387 2.630 0.776 216 HG2 LYS 32 HG2 LYS 32 19.815 3.478 3.572 217 HG3 LYS 32 HG1 LYS 32 18.529 2.310 3.272 218 HD2 LYS 32 HD2 LYS 32 20.122 0.849 2.125 219 HD3 LYS 32 HD1 LYS 32 21.409 2.019 2.419 220 HE2 LYS 32 HE2 LYS 32 21.171 1.722 4.813 221 HE3 LYS 32 HE1 LYS 32 19.808 0.633 4.567 222 HZ1 LYS 32 HZ1 LYS 32 21.843 -0.586 5.010 223 HZ2 LYS 32 HZ2 LYS 32 22.600 0.135 3.680 224 HZ3 LYS 32 HZ3 LYS 32 21.292 -0.910 3.443 225 H GLY 33 HN GLY 33 18.403 4.045 -0.577 226 HA2 GLY 33 HA2 GLY 33 18.881 5.393 -2.774 227 HA3 GLY 33 HA1 GLY 33 20.334 4.403 -2.751 228 H SER 34 HN SER 34 18.232 2.453 -1.345 229 HA SER 34 HA SER 34 16.627 1.572 -3.556 230 HB2 SER 34 HB2 SER 34 18.967 -0.141 -2.674 231 HB3 SER 34 HB1 SER 34 17.680 -0.661 -3.762 232 HG SER 34 HG SER 34 19.165 0.030 -5.148 233 H PHE 35 HN PHE 35 15.201 -0.217 -2.938 234 HA PHE 35 HA PHE 35 14.860 -0.264 -0.036 235 HB2 PHE 35 HB2 PHE 35 13.009 -0.235 -2.276 236 HB3 PHE 35 HB1 PHE 35 12.585 -1.458 -1.077 237 HD1 PHE 35 HD1 PHE 35 13.515 2.117 -1.412 238 HD2 PHE 35 HD2 PHE 35 11.487 -0.843 0.872 239 HE1 PHE 35 HE1 PHE 35 12.615 3.874 0.052 240 HE2 PHE 35 HE2 PHE 35 10.578 0.910 2.340 241 HZ PHE 35 HZ PHE 35 11.145 3.272 1.930 242 H LYS 36 HN LYS 36 13.721 -2.837 -2.260 243 HA LYS 36 HA LYS 36 14.726 -4.770 -0.381 244 HB2 LYS 36 HB2 LYS 36 12.800 -5.486 -1.461 245 HB3 LYS 36 HB1 LYS 36 13.391 -5.056 -3.062 246 HG2 LYS 36 HG2 LYS 36 14.951 -6.906 -2.984 247 HG3 LYS 36 HG1 LYS 36 14.465 -7.277 -1.323 248 HD2 LYS 36 HD2 LYS 36 13.175 -8.784 -2.484 249 HD3 LYS 36 HD1 LYS 36 12.071 -7.411 -2.403 250 HE2 LYS 36 HE2 LYS 36 12.955 -6.705 -4.651 251 HE3 LYS 36 HE1 LYS 36 13.798 -8.251 -4.720 252 HZ1 LYS 36 HZ1 LYS 36 10.862 -7.891 -4.476 253 HZ2 LYS 36 HZ2 LYS 36 11.666 -9.377 -4.526 254 HZ3 LYS 36 HZ3 LYS 36 11.690 -8.359 -5.876 255 H LEU 37 HN LEU 37 16.445 -5.875 -0.381 256 HA LEU 37 HA LEU 37 18.642 -5.016 -2.057 257 HB2 LEU 37 HB2 LEU 37 19.798 -6.666 -0.334 258 HB3 LEU 37 HB1 LEU 37 19.353 -5.029 0.105 259 HG LEU 37 HG LEU 37 17.278 -5.868 1.175 260 HD11 LEU 37 HD11 LEU 37 18.119 -8.343 -0.126 261 HD12 LEU 37 HD12 LEU 37 16.503 -7.692 0.226 262 HD13 LEU 37 HD13 LEU 37 17.454 -8.480 1.501 263 HD21 LEU 37 HD21 LEU 37 19.371 -5.671 2.475 264 HD22 LEU 37 HD22 LEU 37 19.733 -7.356 2.102 265 HD23 LEU 37 HD23 LEU 37 18.314 -6.952 3.069 266 H THR 38 HN THR 38 16.709 -7.878 -1.512 267 HA THR 38 HA THR 38 17.967 -9.203 -3.782 268 HB THR 38 HB THR 38 19.149 -9.899 -1.603 269 HG1 THR 38 HG1 THR 38 18.030 -12.183 -2.757 270 HG21 THR 38 HG21 THR 38 17.048 -10.059 -0.271 271 HG22 THR 38 HG22 THR 38 18.008 -11.541 -0.230 272 HG23 THR 38 HG23 THR 38 16.574 -11.446 -1.255 273 H SER 39 HN SER 39 16.683 -10.961 -4.613 274 HA SER 39 HA SER 39 13.907 -10.560 -4.420 275 HB2 SER 39 HB2 SER 39 13.704 -12.643 -5.737 276 HB3 SER 39 HB1 SER 39 14.936 -11.577 -6.412 277 HG SER 39 HG SER 39 16.517 -12.871 -5.536 278 H THR 40 HN THR 40 12.460 -11.310 -3.098 279 HA THR 40 HA THR 40 11.360 -12.597 -1.588 280 HB THR 40 HB THR 40 12.058 -14.694 -0.812 281 HG1 THR 40 HG1 THR 40 14.094 -15.222 -0.470 282 HG21 THR 40 HG21 THR 40 12.655 -15.878 -2.826 283 HG22 THR 40 HG22 THR 40 13.258 -14.391 -3.558 284 HG23 THR 40 HG23 THR 40 11.534 -14.569 -3.216 285 H LYS 41 HN LYS 41 12.677 -10.230 -0.948 286 HA LYS 41 HA LYS 41 13.245 -10.720 1.899 287 HB2 LYS 41 HB2 LYS 41 15.222 -9.918 0.491 288 HB3 LYS 41 HB1 LYS 41 14.411 -8.363 0.404 289 HG2 LYS 41 HG2 LYS 41 14.751 -9.595 3.074 290 HG3 LYS 41 HG1 LYS 41 16.180 -8.959 2.277 291 HD2 LYS 41 HD2 LYS 41 13.786 -7.527 3.330 292 HD3 LYS 41 HD1 LYS 41 15.497 -7.125 3.480 293 HE2 LYS 41 HE2 LYS 41 15.462 -6.565 1.026 294 HE3 LYS 41 HE1 LYS 41 13.709 -6.714 1.098 295 HZ1 LYS 41 HZ1 LYS 41 13.714 -4.996 2.836 296 HZ2 LYS 41 HZ2 LYS 41 14.332 -4.431 1.368 297 HZ3 LYS 41 HZ3 LYS 41 15.383 -4.807 2.637 298 H TRP 42 HN TRP 42 12.495 -9.038 3.367 299 HA TRP 42 HA TRP 42 10.312 -7.461 2.176 300 HB2 TRP 42 HB2 TRP 42 10.225 -9.435 4.341 301 HB3 TRP 42 HB1 TRP 42 9.417 -7.914 4.697 302 HD1 TRP 42 HD1 TRP 42 8.770 -8.008 1.236 303 HE1 TRP 42 HE1 TRP 42 6.574 -9.191 0.655 304 HE3 TRP 42 HE3 TRP 42 7.993 -10.508 5.633 305 HZ2 TRP 42 HZ2 TRP 42 4.746 -10.922 1.876 306 HZ3 TRP 42 HZ3 TRP 42 5.980 -11.909 5.841 307 HH2 TRP 42 HH2 TRP 42 4.390 -12.116 4.000 308 HA PRO 43 HA PRO 43 12.626 -4.286 4.537 309 HB2 PRO 43 HB2 PRO 43 11.683 -2.227 2.998 310 HB3 PRO 43 HB1 PRO 43 13.117 -3.166 2.570 311 HG2 PRO 43 HG2 PRO 43 10.315 -3.416 1.555 312 HG3 PRO 43 HG1 PRO 43 11.844 -3.507 0.662 313 HD2 PRO 43 HD2 PRO 43 10.445 -5.716 1.372 314 HD3 PRO 43 HD1 PRO 43 12.224 -5.701 1.277 315 H GLU 44 HN GLU 44 11.647 -3.547 6.387 316 HA GLU 44 HA GLU 44 8.927 -3.836 6.849 317 HB2 GLU 44 HB2 GLU 44 10.669 -3.730 8.605 318 HB3 GLU 44 HB1 GLU 44 10.748 -1.996 8.351 319 HG2 GLU 44 HG2 GLU 44 8.035 -2.779 8.701 320 HG3 GLU 44 HG1 GLU 44 9.020 -3.404 10.022 321 H LEU 45 HN LEU 45 7.213 -2.525 6.969 322 HA LEU 45 HA LEU 45 7.284 -0.133 5.302 323 HB2 LEU 45 HB2 LEU 45 4.871 -0.314 5.306 324 HB3 LEU 45 HB1 LEU 45 5.583 -1.869 4.913 325 HG LEU 45 HG LEU 45 5.069 -1.563 7.746 326 HD11 LEU 45 HD11 LEU 45 2.820 -1.197 5.851 327 HD12 LEU 45 HD12 LEU 45 3.253 -0.236 7.268 328 HD13 LEU 45 HD13 LEU 45 2.595 -1.863 7.469 329 HD21 LEU 45 HD21 LEU 45 3.711 -3.716 7.087 330 HD22 LEU 45 HD22 LEU 45 5.470 -3.710 7.246 331 HD23 LEU 45 HD23 LEU 45 4.728 -3.588 5.652 332 HA PRO 46 HA PRO 46 6.956 2.592 8.785 333 HB2 PRO 46 HB2 PRO 46 6.065 4.829 7.560 334 HB3 PRO 46 HB1 PRO 46 7.715 4.228 7.365 335 HG2 PRO 46 HG2 PRO 46 5.390 4.016 5.519 336 HG3 PRO 46 HG1 PRO 46 7.106 4.239 5.144 337 HD2 PRO 46 HD2 PRO 46 5.740 1.841 4.984 338 HD3 PRO 46 HD1 PRO 46 7.498 2.002 5.120 339 H VAL 47 HN VAL 47 4.181 3.522 6.727 340 HA VAL 47 HA VAL 47 2.500 3.647 9.082 341 HB VAL 47 HB VAL 47 2.296 5.312 7.178 342 HG11 VAL 47 HG11 VAL 47 0.976 2.981 5.825 343 HG12 VAL 47 HG12 VAL 47 2.454 3.803 5.308 344 HG13 VAL 47 HG13 VAL 47 0.909 4.652 5.271 345 HG21 VAL 47 HG21 VAL 47 0.591 5.139 8.879 346 HG22 VAL 47 HG22 VAL 47 -0.169 3.802 8.013 347 HG23 VAL 47 HG23 VAL 47 -0.152 5.417 7.304 348 H LYS 48 HN LYS 48 0.988 2.192 9.683 349 HA LYS 48 HA LYS 48 0.615 -0.151 7.943 350 HB2 LYS 48 HB2 LYS 48 0.430 -0.290 10.935 351 HB3 LYS 48 HB1 LYS 48 0.662 -1.602 9.789 352 HG2 LYS 48 HG2 LYS 48 2.833 -1.498 10.200 353 HG3 LYS 48 HG1 LYS 48 2.858 0.096 9.446 354 HD2 LYS 48 HD2 LYS 48 2.337 -0.479 12.362 355 HD3 LYS 48 HD1 LYS 48 3.834 0.163 11.686 356 HE2 LYS 48 HE2 LYS 48 2.586 2.129 10.869 357 HE3 LYS 48 HE1 LYS 48 1.125 1.494 11.632 358 HZ1 LYS 48 HZ1 LYS 48 3.630 2.274 13.033 359 HZ2 LYS 48 HZ2 LYS 48 2.260 1.621 13.779 360 HZ3 LYS 48 HZ3 LYS 48 2.175 3.138 13.037 361 H GLU 49 HN GLU 49 -0.867 2.495 9.107 362 HA GLU 49 HA GLU 49 -3.487 1.481 8.564 363 HB2 GLU 49 HB2 GLU 49 -3.070 0.667 10.892 364 HB3 GLU 49 HB1 GLU 49 -2.973 2.346 11.395 365 HG2 GLU 49 HG2 GLU 49 -5.252 2.729 10.711 366 HG3 GLU 49 HG1 GLU 49 -5.368 1.082 10.094 367 H ALA 50 HN ALA 50 -4.611 3.087 7.780 368 HA ALA 50 HA ALA 50 -3.841 5.864 8.174 369 HB1 ALA 50 HB1 ALA 50 -4.228 5.541 5.918 370 HB2 ALA 50 HB2 ALA 50 -5.798 6.140 6.453 371 HB3 ALA 50 HB3 ALA 50 -5.553 4.411 6.200 372 H GLY 51 HN GLY 51 -6.271 7.116 7.838 373 HA2 GLY 51 HA2 GLY 51 -7.350 6.940 10.472 374 HA3 GLY 51 HA1 GLY 51 -7.936 7.978 9.181 375 H GLY 52 HN GLY 52 -8.077 5.315 7.558 376 HA2 GLY 52 HA2 GLY 52 -10.346 4.010 8.821 377 HA3 GLY 52 HA1 GLY 52 -10.704 4.880 7.343 378 H PHE 53 HN PHE 53 -7.639 3.913 7.027 379 HA PHE 53 HA PHE 53 -8.310 1.295 5.854 380 HB2 PHE 53 HB2 PHE 53 -6.839 3.606 4.683 381 HB3 PHE 53 HB1 PHE 53 -6.185 2.010 4.370 382 HD1 PHE 53 HD1 PHE 53 -9.682 3.333 4.493 383 HD2 PHE 53 HD2 PHE 53 -6.663 1.374 2.243 384 HE1 PHE 53 HE1 PHE 53 -11.262 3.036 2.644 385 HE2 PHE 53 HE2 PHE 53 -8.240 1.064 0.387 386 HZ PHE 53 HZ PHE 53 -10.546 1.898 0.586 387 H CYS 54 HN CYS 54 -6.320 -0.108 5.639 388 HA CYS 54 HA CYS 54 -4.377 0.501 7.748 389 HB2 CYS 54 HB2 CYS 54 -6.164 -1.689 7.627 390 HB3 CYS 54 HB1 CYS 54 -4.537 -2.306 7.414 391 H ILE 55 HN ILE 55 -2.274 0.084 7.286 392 HA ILE 55 HA ILE 55 -1.779 -0.590 4.476 393 HB ILE 55 HB ILE 55 -0.201 1.224 6.281 394 HG12 ILE 55 HG12 ILE 55 -1.083 2.926 4.537 395 HG13 ILE 55 HG11 ILE 55 -2.282 1.692 4.174 396 HG21 ILE 55 HG21 ILE 55 0.143 0.477 3.391 397 HG22 ILE 55 HG22 ILE 55 1.302 0.292 4.708 398 HG23 ILE 55 HG23 ILE 55 0.887 1.901 4.118 399 HD11 ILE 55 HD11 ILE 55 -2.996 3.471 5.774 400 HD12 ILE 55 HD12 ILE 55 -1.857 2.783 6.931 401 HD13 ILE 55 HD13 ILE 55 -3.205 1.814 6.331 402 H ARG 56 HN ARG 56 0.043 -1.658 3.872 403 HA ARG 56 HA ARG 56 1.832 -2.863 5.816 404 HB2 ARG 56 HB2 ARG 56 -0.222 -4.421 4.259 405 HB3 ARG 56 HB1 ARG 56 1.332 -5.150 4.632 406 HG2 ARG 56 HG2 ARG 56 -0.568 -4.029 6.678 407 HG3 ARG 56 HG1 ARG 56 -0.450 -5.733 6.234 408 HD2 ARG 56 HD2 ARG 56 1.872 -5.777 6.968 409 HD3 ARG 56 HD1 ARG 56 1.791 -4.063 7.371 410 HE ARG 56 HE ARG 56 -0.208 -5.156 8.841 411 HH11 ARG 56 HH11 ARG 56 3.184 -5.869 8.487 412 HH12 ARG 56 HH12 ARG 56 3.362 -6.452 10.108 413 HH21 ARG 56 HH21 ARG 56 0.018 -5.921 10.974 414 HH22 ARG 56 HH22 ARG 56 1.562 -6.482 11.522 415 H MET 57 HN MET 57 3.674 -3.853 4.771 416 HA MET 57 HA MET 57 4.606 -2.402 2.575 417 HB2 MET 57 HB2 MET 57 5.930 -3.711 4.357 418 HB3 MET 57 HB1 MET 57 5.707 -5.097 3.299 419 HG2 MET 57 HG2 MET 57 6.594 -3.106 1.603 420 HG3 MET 57 HG1 MET 57 7.534 -2.868 3.077 421 HE1 MET 57 HE1 MET 57 6.351 -5.315 0.395 422 HE2 MET 57 HE2 MET 57 6.142 -6.387 1.782 423 HE3 MET 57 HE3 MET 57 7.395 -6.719 0.591 424 H SER 58 HN SER 58 5.158 -3.102 0.438 425 HA SER 58 HA SER 58 3.151 -4.055 -1.101 426 HB2 SER 58 HB2 SER 58 5.040 -3.014 -2.135 427 HB3 SER 58 HB1 SER 58 6.127 -4.293 -1.568 428 HG SER 58 HG SER 58 5.586 -5.449 -3.235 429 H GLY 59 HN GLY 59 3.395 -6.104 -2.589 430 HA2 GLY 59 HA2 GLY 59 2.386 -8.259 -1.287 431 HA3 GLY 59 HA1 GLY 59 3.168 -8.359 -2.843 432 H GLN 60 HN GLN 60 4.067 -10.301 -2.672 433 HA GLN 60 HA GLN 60 5.328 -11.339 -0.364 434 HB2 GLN 60 HB2 GLN 60 6.285 -12.991 -2.143 435 HB3 GLN 60 HB1 GLN 60 4.576 -13.002 -1.751 436 HG2 GLN 60 HG2 GLN 60 4.211 -11.499 -3.713 437 HG3 GLN 60 HG1 GLN 60 5.897 -11.772 -4.142 438 HE21 GLN 60 HE21 GLN 60 3.845 -14.212 -2.713 439 HE22 GLN 60 HE22 GLN 60 3.751 -15.229 -4.107 440 H ALA 61 HN ALA 61 7.438 -11.573 0.187 441 HA ALA 61 HA ALA 61 9.279 -9.623 -0.278 442 HB1 ALA 61 HB1 ALA 61 10.107 -12.474 0.165 443 HB2 ALA 61 HB2 ALA 61 9.343 -11.504 1.425 444 HB3 ALA 61 HB3 ALA 61 10.888 -10.999 0.738 445 H LYS 62 HN LYS 62 8.548 -12.339 -2.330 446 HA LYS 62 HA LYS 62 10.916 -12.160 -3.929 447 HB2 LYS 62 HB2 LYS 62 9.811 -14.259 -3.811 448 HB3 LYS 62 HB1 LYS 62 8.279 -13.551 -4.271 449 HG2 LYS 62 HG2 LYS 62 8.797 -14.422 -6.276 450 HG3 LYS 62 HG1 LYS 62 9.730 -12.935 -6.446 451 HD2 LYS 62 HD2 LYS 62 11.099 -14.823 -7.078 452 HD3 LYS 62 HD1 LYS 62 11.715 -14.125 -5.579 453 HE2 LYS 62 HE2 LYS 62 11.654 -16.605 -5.562 454 HE3 LYS 62 HE1 LYS 62 10.693 -15.867 -4.277 455 HZ1 LYS 62 HZ1 LYS 62 9.532 -17.705 -5.360 456 HZ2 LYS 62 HZ2 LYS 62 9.616 -16.905 -6.847 457 HZ3 LYS 62 HZ3 LYS 62 8.708 -16.245 -5.583 458 H GLY 63 HN GLY 63 7.668 -10.868 -4.079 459 HA2 GLY 63 HA2 GLY 63 8.331 -9.397 -6.538 460 HA3 GLY 63 HA1 GLY 63 6.702 -9.768 -5.997 461 H ILE 64 HN ILE 64 9.575 -8.275 -4.570 462 HA ILE 64 HA ILE 64 7.821 -6.167 -3.545 463 HB ILE 64 HB ILE 64 10.414 -7.222 -2.462 464 HG12 ILE 64 HG12 ILE 64 8.786 -8.659 -1.747 465 HG13 ILE 64 HG11 ILE 64 8.727 -7.460 -0.462 466 HG21 ILE 64 HG21 ILE 64 10.586 -4.951 -1.963 467 HG22 ILE 64 HG22 ILE 64 9.844 -5.656 -0.525 468 HG23 ILE 64 HG23 ILE 64 8.850 -4.786 -1.696 469 HD11 ILE 64 HD11 ILE 64 6.507 -7.779 -0.959 470 HD12 ILE 64 HD12 ILE 64 6.806 -7.954 -2.695 471 HD13 ILE 64 HD13 ILE 64 6.899 -6.359 -1.931 472 H LEU 65 HN LEU 65 8.234 -4.152 -3.596 473 HA LEU 65 HA LEU 65 8.929 -2.815 -5.719 474 HB2 LEU 65 HB2 LEU 65 9.894 -1.088 -3.908 475 HB3 LEU 65 HB1 LEU 65 8.189 -1.350 -4.208 476 HG LEU 65 HG LEU 65 8.444 -3.156 -2.357 477 HD11 LEU 65 HD11 LEU 65 10.860 -3.076 -2.213 478 HD12 LEU 65 HD12 LEU 65 10.150 -2.536 -0.689 479 HD13 LEU 65 HD13 LEU 65 10.799 -1.355 -1.830 480 HD21 LEU 65 HD21 LEU 65 7.363 -0.747 -2.396 481 HD22 LEU 65 HD22 LEU 65 8.694 -0.404 -1.281 482 HD23 LEU 65 HD23 LEU 65 7.521 -1.668 -0.896 483 H GLU 66 HN GLU 66 10.596 -1.899 -6.745 484 HA GLU 66 HA GLU 66 13.292 -1.972 -5.720 485 HB2 GLU 66 HB2 GLU 66 12.342 -3.939 -7.722 486 HB3 GLU 66 HB1 GLU 66 13.873 -3.149 -8.083 487 HG2 GLU 66 HG2 GLU 66 14.919 -4.034 -6.216 488 HG3 GLU 66 HG1 GLU 66 13.396 -4.384 -5.397 489 H GLY 67 HN GLY 67 13.883 0.042 -6.163 490 HA2 GLY 67 HA2 GLY 67 14.354 1.928 -7.435 491 HA3 GLY 67 HA1 GLY 67 13.748 1.070 -8.855 492 H LYS 68 HN LYS 68 11.549 0.587 -6.577 493 HA LYS 68 HA LYS 68 9.999 3.047 -6.923 494 HB2 LYS 68 HB2 LYS 68 8.242 2.035 -8.002 495 HB3 LYS 68 HB1 LYS 68 9.506 0.944 -8.563 496 HG2 LYS 68 HG2 LYS 68 8.986 -0.640 -6.829 497 HG3 LYS 68 HG1 LYS 68 7.809 0.463 -6.122 498 HD2 LYS 68 HD2 LYS 68 6.389 0.269 -8.041 499 HD3 LYS 68 HD1 LYS 68 7.606 -0.689 -8.896 500 HE2 LYS 68 HE2 LYS 68 7.446 -2.392 -7.090 501 HE3 LYS 68 HE1 LYS 68 6.118 -1.462 -6.385 502 HZ1 LYS 68 HZ1 LYS 68 5.294 -3.270 -7.757 503 HZ2 LYS 68 HZ2 LYS 68 6.129 -2.674 -9.102 504 HZ3 LYS 68 HZ3 LYS 68 4.861 -1.779 -8.429 505 H PHE 69 HN PHE 69 8.844 3.518 -5.033 506 HA PHE 69 HA PHE 69 8.730 1.347 -3.042 507 HB2 PHE 69 HB2 PHE 69 8.649 4.132 -2.044 508 HB3 PHE 69 HB1 PHE 69 9.433 2.709 -1.363 509 HD1 PHE 69 HD2 PHE 69 11.299 1.832 -3.344 510 HD2 PHE 69 HD1 PHE 69 10.178 5.799 -2.309 511 HE1 PHE 69 HE2 PHE 69 13.460 2.655 -4.181 512 HE2 PHE 69 HE1 PHE 69 12.335 6.633 -3.145 513 HZ PHE 69 HZ PHE 69 13.976 5.058 -4.084 514 H THR 70 HN THR 70 6.686 0.700 -2.626 515 HA THR 70 HA THR 70 4.550 2.706 -2.592 516 HB THR 70 HB THR 70 4.091 0.167 -4.137 517 HG1 THR 70 HG1 THR 70 5.521 2.417 -4.912 518 HG21 THR 70 HG21 THR 70 2.402 1.783 -5.262 519 HG22 THR 70 HG22 THR 70 2.705 2.846 -3.891 520 HG23 THR 70 HG23 THR 70 2.037 1.232 -3.627 521 H LEU 71 HN LEU 71 2.892 2.275 -1.233 522 HA LEU 71 HA LEU 71 2.821 -0.371 0.048 523 HB2 LEU 71 HB2 LEU 71 2.395 2.344 1.266 524 HB3 LEU 71 HB1 LEU 71 1.858 0.868 2.038 525 HG LEU 71 HG LEU 71 4.590 1.953 1.714 526 HD11 LEU 71 HD11 LEU 71 3.049 0.547 3.871 527 HD12 LEU 71 HD12 LEU 71 3.577 2.230 3.830 528 HD13 LEU 71 HD13 LEU 71 4.762 0.935 4.005 529 HD21 LEU 71 HD21 LEU 71 3.937 -0.976 1.701 530 HD22 LEU 71 HD22 LEU 71 5.473 -0.357 2.306 531 HD23 LEU 71 HD23 LEU 71 5.014 -0.086 0.627 532 H LYS 72 HN LYS 72 0.764 -1.157 0.638 533 HA LYS 72 HA LYS 72 -1.457 0.206 -0.732 534 HB2 LYS 72 HB2 LYS 72 -1.096 -1.852 -1.850 535 HB3 LYS 72 HB1 LYS 72 -0.881 -2.723 -0.338 536 HG2 LYS 72 HG2 LYS 72 -3.461 -1.579 -0.266 537 HG3 LYS 72 HG1 LYS 72 -3.258 -2.320 -1.854 538 HD2 LYS 72 HD2 LYS 72 -4.179 -3.937 -0.299 539 HD3 LYS 72 HD1 LYS 72 -2.545 -4.413 -0.762 540 HE2 LYS 72 HE2 LYS 72 -1.768 -3.244 1.357 541 HE3 LYS 72 HE1 LYS 72 -3.468 -3.189 1.824 542 HZ1 LYS 72 HZ1 LYS 72 -3.518 -5.630 1.574 543 HZ2 LYS 72 HZ2 LYS 72 -2.454 -5.113 2.783 544 HZ3 LYS 72 HZ3 LYS 72 -1.851 -5.620 1.286 545 H ALA 73 HN ALA 73 -3.320 0.503 0.273 546 HA ALA 73 HA ALA 73 -3.434 -0.180 3.132 547 HB1 ALA 73 HB1 ALA 73 -4.827 2.129 1.800 548 HB2 ALA 73 HB2 ALA 73 -3.182 2.248 2.419 549 HB3 ALA 73 HB3 ALA 73 -4.520 1.887 3.524 550 H VAL 74 HN VAL 74 -5.470 -0.772 3.980 551 HA VAL 74 HA VAL 74 -7.559 -1.393 2.020 552 HB VAL 74 HB VAL 74 -6.303 -3.264 3.999 553 HG11 VAL 74 HG11 VAL 74 -9.061 -3.389 2.797 554 HG12 VAL 74 HG12 VAL 74 -8.596 -3.573 4.488 555 HG13 VAL 74 HG13 VAL 74 -8.207 -4.837 3.322 556 HG21 VAL 74 HG21 VAL 74 -7.072 -3.715 1.122 557 HG22 VAL 74 HG22 VAL 74 -5.965 -4.662 2.124 558 HG23 VAL 74 HG23 VAL 74 -5.517 -3.033 1.609 559 H ALA 75 HN ALA 75 -9.542 -0.876 2.640 560 HA ALA 75 HA ALA 75 -10.094 0.761 4.767 561 HB1 ALA 75 HB1 ALA 75 -11.905 -1.085 3.235 562 HB2 ALA 75 HB2 ALA 75 -11.632 0.643 2.979 563 HB3 ALA 75 HB3 ALA 75 -12.491 0.091 4.415 564 H LEU 76 HN LEU 76 -10.343 0.530 6.850 565 HA LEU 76 HA LEU 76 -9.973 -1.902 8.196 566 HB2 LEU 76 HB2 LEU 76 -11.233 0.632 9.244 567 HB3 LEU 76 HB1 LEU 76 -10.472 -0.630 10.201 568 HG LEU 76 HG LEU 76 -8.994 0.987 8.137 569 HD11 LEU 76 HD11 LEU 76 -8.036 2.254 10.013 570 HD12 LEU 76 HD12 LEU 76 -9.189 1.475 11.103 571 HD13 LEU 76 HD13 LEU 76 -9.768 2.535 9.816 572 HD21 LEU 76 HD21 LEU 76 -8.014 -1.177 8.712 573 HD22 LEU 76 HD22 LEU 76 -8.033 -0.733 10.418 574 HD23 LEU 76 HD23 LEU 76 -7.015 0.158 9.287 575 H ASP 77 HN ASP 77 -12.746 -0.053 7.207 576 HA ASP 77 HA ASP 77 -14.600 -2.084 8.214 577 HB2 ASP 77 HB2 ASP 77 -15.405 0.429 6.757 578 HB3 ASP 77 HB1 ASP 77 -16.347 -0.532 7.888 579 H ARG 78 HN ARG 78 -12.721 -2.487 5.963 580 HA ARG 78 HA ARG 78 -13.730 -2.259 3.459 581 HB2 ARG 78 HB2 ARG 78 -12.438 -4.240 2.874 582 HB3 ARG 78 HB1 ARG 78 -11.542 -3.071 3.818 583 HG2 ARG 78 HG2 ARG 78 -11.547 -4.423 5.715 584 HG3 ARG 78 HG1 ARG 78 -12.856 -5.441 5.089 585 HD2 ARG 78 HD2 ARG 78 -10.434 -5.204 3.454 586 HD3 ARG 78 HD1 ARG 78 -10.275 -6.126 4.954 587 HE ARG 78 HE ARG 78 -11.812 -6.844 2.593 588 HH11 ARG 78 HH11 ARG 78 -11.137 -7.479 5.952 589 HH12 ARG 78 HH12 ARG 78 -11.757 -9.095 5.903 590 HH21 ARG 78 HH21 ARG 78 -12.632 -8.967 2.520 591 HH22 ARG 78 HH22 ARG 78 -12.608 -9.941 3.952 592 H GLU 79 HN GLU 79 -14.817 -4.537 5.900 593 HA GLU 79 HA GLU 79 -16.152 -6.397 4.349 594 HB2 GLU 79 HB2 GLU 79 -17.375 -5.160 6.814 595 HB3 GLU 79 HB1 GLU 79 -17.571 -6.806 6.224 596 HG2 GLU 79 HG2 GLU 79 -15.221 -7.260 6.737 597 HG3 GLU 79 HG1 GLU 79 -15.048 -5.615 7.346 598 H ALA 80 HN ALA 80 -16.761 -3.117 4.960 599 HA ALA 80 HA ALA 80 -19.271 -3.096 3.471 600 HB1 ALA 80 HB1 ALA 80 -18.014 -1.205 5.441 601 HB2 ALA 80 HB2 ALA 80 -19.552 -2.067 5.571 602 HB3 ALA 80 HB3 ALA 80 -19.385 -0.734 4.429 603 H GLU 81 HN GLU 81 -15.945 -2.069 3.407 604 HA GLU 81 HA GLU 81 -16.435 -0.663 0.859 605 HB2 GLU 81 HB2 GLU 81 -14.094 0.164 2.461 606 HB3 GLU 81 HB1 GLU 81 -15.176 1.123 1.463 607 HG2 GLU 81 HG2 GLU 81 -16.890 0.952 3.241 608 HG3 GLU 81 HG1 GLU 81 -15.705 0.118 4.247 609 HA PRO 82 HA PRO 82 -13.525 -4.132 -0.078 610 HB2 PRO 82 HB2 PRO 82 -14.186 -4.201 -2.734 611 HB3 PRO 82 HB1 PRO 82 -15.078 -5.072 -1.480 612 HG2 PRO 82 HG2 PRO 82 -15.693 -2.418 -2.739 613 HG3 PRO 82 HG1 PRO 82 -16.786 -3.778 -2.407 614 HD2 PRO 82 HD2 PRO 82 -16.694 -1.643 -0.802 615 HD3 PRO 82 HD1 PRO 82 -16.907 -3.278 -0.141 616 H ARG 83 HN ARG 83 -13.868 -0.910 -1.242 617 HA ARG 83 HA ARG 83 -11.877 -0.764 -3.177 618 HB2 ARG 83 HB2 ARG 83 -13.061 1.242 -1.310 619 HB3 ARG 83 HB1 ARG 83 -11.682 1.686 -2.305 620 HG2 ARG 83 HG2 ARG 83 -13.022 0.869 -4.288 621 HG3 ARG 83 HG1 ARG 83 -14.409 0.807 -3.200 622 HD2 ARG 83 HD2 ARG 83 -14.125 3.187 -2.710 623 HD3 ARG 83 HD1 ARG 83 -12.738 3.246 -3.796 624 HE ARG 83 HE ARG 83 -15.188 2.313 -5.005 625 HH11 ARG 83 HH11 ARG 83 -13.171 5.062 -4.285 626 HH12 ARG 83 HH12 ARG 83 -13.839 6.044 -5.546 627 HH21 ARG 83 HH21 ARG 83 -16.075 3.600 -6.667 628 HH22 ARG 83 HH22 ARG 83 -15.490 5.214 -6.898 629 H VAL 84 HN VAL 84 -9.771 -0.473 -3.219 630 HA VAL 84 HA VAL 84 -8.266 -0.411 -0.680 631 HB VAL 84 HB VAL 84 -6.777 -1.651 -2.840 632 HG11 VAL 84 HG11 VAL 84 -7.175 -1.903 -0.020 633 HG12 VAL 84 HG12 VAL 84 -5.813 -2.419 -1.015 634 HG13 VAL 84 HG13 VAL 84 -7.203 -3.488 -0.794 635 HG21 VAL 84 HG21 VAL 84 -9.172 -3.222 -1.938 636 HG22 VAL 84 HG22 VAL 84 -7.981 -3.665 -3.166 637 HG23 VAL 84 HG23 VAL 84 -9.122 -2.351 -3.472 638 H LEU 85 HN LEU 85 -5.991 0.503 -0.993 639 HA LEU 85 HA LEU 85 -5.756 2.184 -3.383 640 HB2 LEU 85 HB2 LEU 85 -6.877 3.480 -1.530 641 HB3 LEU 85 HB1 LEU 85 -5.382 3.348 -0.629 642 HG LEU 85 HG LEU 85 -4.291 4.466 -2.690 643 HD11 LEU 85 HD11 LEU 85 -7.209 5.013 -3.202 644 HD12 LEU 85 HD12 LEU 85 -5.992 4.362 -4.313 645 HD13 LEU 85 HD13 LEU 85 -5.916 6.054 -3.811 646 HD21 LEU 85 HD21 LEU 85 -5.060 6.743 -1.843 647 HD22 LEU 85 HD22 LEU 85 -4.316 5.656 -0.672 648 HD23 LEU 85 HD23 LEU 85 -6.069 5.851 -0.701 649 H ARG 86 HN ARG 86 -3.650 3.205 -3.590 650 HA ARG 86 HA ARG 86 -1.449 2.149 -2.013 651 HB2 ARG 86 HB2 ARG 86 -0.703 0.637 -3.495 652 HB3 ARG 86 HB1 ARG 86 -2.133 0.895 -4.456 653 HG2 ARG 86 HG2 ARG 86 -1.018 2.584 -5.753 654 HG3 ARG 86 HG1 ARG 86 0.405 2.475 -4.718 655 HD2 ARG 86 HD2 ARG 86 0.659 0.104 -5.392 656 HD3 ARG 86 HD1 ARG 86 -0.698 0.306 -6.500 657 HE ARG 86 HE ARG 86 1.255 2.266 -7.029 658 HH11 ARG 86 HH11 ARG 86 0.699 -1.160 -7.354 659 HH12 ARG 86 HH12 ARG 86 1.748 -1.331 -8.721 660 HH21 ARG 86 HH21 ARG 86 2.640 2.049 -8.827 661 HH22 ARG 86 HH22 ARG 86 2.851 0.493 -9.560 662 H LEU 87 HN LEU 87 0.437 3.418 -2.208 663 HA LEU 87 HA LEU 87 0.423 5.619 -4.099 664 HB2 LEU 87 HB2 LEU 87 -0.840 6.379 -2.044 665 HB3 LEU 87 HB1 LEU 87 0.649 6.175 -1.152 666 HG LEU 87 HG LEU 87 1.697 7.986 -2.178 667 HD11 LEU 87 HD11 LEU 87 1.409 7.718 -4.464 668 HD12 LEU 87 HD12 LEU 87 0.432 9.152 -4.134 669 HD13 LEU 87 HD13 LEU 87 -0.343 7.580 -4.328 670 HD21 LEU 87 HD21 LEU 87 -1.207 8.780 -2.019 671 HD22 LEU 87 HD22 LEU 87 0.199 9.827 -1.818 672 HD23 LEU 87 HD23 LEU 87 -0.147 8.574 -0.624 673 H ASN 88 HN ASN 88 2.400 5.879 -4.873 674 HA ASN 88 HA ASN 88 4.604 4.614 -3.406 675 HB2 ASN 88 HB2 ASN 88 5.767 4.403 -5.491 676 HB3 ASN 88 HB1 ASN 88 4.112 3.870 -5.745 677 HD21 ASN 88 HD21 ASN 88 3.070 6.601 -5.780 678 HD22 ASN 88 HD22 ASN 88 3.524 7.257 -7.310 679 H GLU 89 HN GLU 89 6.842 5.715 -4.180 680 HA GLU 89 HA GLU 89 7.032 8.119 -2.740 681 HB2 GLU 89 HB2 GLU 89 9.305 8.123 -3.283 682 HB3 GLU 89 HB1 GLU 89 8.865 6.425 -3.299 683 HG2 GLU 89 HG2 GLU 89 9.001 8.113 -5.780 684 HG3 GLU 89 HG1 GLU 89 10.361 7.183 -5.158 685 H SER 90 HN SER 90 6.224 7.501 -6.030 686 HA SER 90 HA SER 90 6.838 10.166 -6.971 687 HB2 SER 90 HB2 SER 90 7.008 8.237 -8.512 688 HB3 SER 90 HB1 SER 90 5.282 7.935 -8.311 689 HG SER 90 HG SER 90 6.483 10.251 -9.428 690 H LEU 91 HN LEU 91 4.738 9.120 -4.892 691 HA LEU 91 HA LEU 91 2.755 9.763 -4.078 692 HB2 LEU 91 HB2 LEU 91 3.626 12.161 -5.601 693 HB3 LEU 91 HB1 LEU 91 2.120 12.159 -4.699 694 HG LEU 91 HG LEU 91 4.611 12.824 -3.729 695 HD11 LEU 91 HD11 LEU 91 2.417 13.534 -2.883 696 HD12 LEU 91 HD12 LEU 91 3.509 13.027 -1.594 697 HD13 LEU 91 HD13 LEU 91 2.221 11.949 -2.134 698 HD21 LEU 91 HD21 LEU 91 5.222 11.204 -2.056 699 HD22 LEU 91 HD22 LEU 91 5.234 10.428 -3.641 700 HD23 LEU 91 HD23 LEU 91 3.886 10.158 -2.536 701 H THR 92 HN THR 92 2.862 8.340 -6.629 702 HA THR 92 HA THR 92 0.356 9.170 -7.902 703 HB THR 92 HB THR 92 2.443 7.143 -8.707 704 HG1 THR 92 HG1 THR 92 3.136 8.691 -9.988 705 HG21 THR 92 HG21 THR 92 -0.158 7.829 -10.084 706 HG22 THR 92 HG22 THR 92 0.240 6.292 -9.317 707 HG23 THR 92 HG23 THR 92 1.114 6.812 -10.758 708 H ALA 93 HN ALA 93 -1.428 8.299 -7.056 709 HA ALA 93 HA ALA 93 -1.199 5.712 -5.685 710 HB1 ALA 93 HB1 ALA 93 -2.136 7.840 -4.559 711 HB2 ALA 93 HB2 ALA 93 -2.978 6.306 -4.339 712 HB3 ALA 93 HB3 ALA 93 -3.590 7.485 -5.496 713 H VAL 94 HN VAL 94 -2.788 4.172 -5.862 714 HA VAL 94 HA VAL 94 -4.674 4.408 -8.076 715 HB VAL 94 HB VAL 94 -2.705 3.220 -9.025 716 HG11 VAL 94 HG11 VAL 94 -2.439 2.045 -6.598 717 HG12 VAL 94 HG12 VAL 94 -1.723 1.418 -8.083 718 HG13 VAL 94 HG13 VAL 94 -3.251 0.761 -7.496 719 HG21 VAL 94 HG21 VAL 94 -4.018 1.173 -9.778 720 HG22 VAL 94 HG22 VAL 94 -4.794 2.737 -10.037 721 HG23 VAL 94 HG23 VAL 94 -5.296 1.715 -8.686 722 H VAL 95 HN VAL 95 -6.548 3.706 -7.627 723 HA VAL 95 HA VAL 95 -6.960 2.299 -5.095 724 HB VAL 95 HB VAL 95 -8.061 4.391 -5.119 725 HG11 VAL 95 HG11 VAL 95 -9.246 3.618 -7.788 726 HG12 VAL 95 HG12 VAL 95 -7.870 4.714 -7.565 727 HG13 VAL 95 HG13 VAL 95 -9.469 5.148 -6.935 728 HG21 VAL 95 HG21 VAL 95 -10.139 2.338 -5.882 729 HG22 VAL 95 HG22 VAL 95 -10.397 3.797 -4.927 730 HG23 VAL 95 HG23 VAL 95 -9.407 2.485 -4.283 731 H CYS 96 HN CYS 96 -8.319 0.567 -4.949 732 HA CYS 96 HA CYS 96 -9.206 -0.656 -7.464 733 HB2 CYS 96 HB2 CYS 96 -7.990 -1.890 -5.000 734 HB3 CYS 96 HB1 CYS 96 -9.009 -2.834 -6.077 735 H GLY 97 HN GLY 97 -11.096 -2.011 -7.253 736 HA2 GLY 97 HA2 GLY 97 -12.909 -0.945 -5.193 737 HA3 GLY 97 HA1 GLY 97 -13.411 -1.425 -6.810 738 H LYS 98 HN LYS 98 -11.117 -3.513 -5.919 739 HA LYS 98 HA LYS 98 -12.716 -5.304 -4.317 740 HB2 LYS 98 HB2 LYS 98 -13.182 -5.440 -6.935 741 HB3 LYS 98 HB1 LYS 98 -11.746 -6.434 -6.886 742 HG2 LYS 98 HG2 LYS 98 -14.304 -6.868 -5.378 743 HG3 LYS 98 HG1 LYS 98 -13.703 -7.810 -6.749 744 HD2 LYS 98 HD2 LYS 98 -12.855 -9.186 -5.183 745 HD3 LYS 98 HD1 LYS 98 -11.622 -7.941 -4.965 746 HE2 LYS 98 HE2 LYS 98 -12.487 -8.473 -2.810 747 HE3 LYS 98 HE1 LYS 98 -13.103 -6.883 -3.263 748 HZ1 LYS 98 HZ1 LYS 98 -15.193 -7.912 -3.901 749 HZ2 LYS 98 HZ2 LYS 98 -14.832 -8.256 -2.285 750 HZ3 LYS 98 HZ3 LYS 98 -14.603 -9.439 -3.470 751 H MET 99 HN MET 99 -11.398 -6.257 -2.935 752 HA MET 99 HA MET 99 -8.582 -6.625 -3.713 753 HB2 MET 99 HB2 MET 99 -9.292 -4.973 -1.786 754 HB3 MET 99 HB1 MET 99 -9.403 -6.449 -0.848 755 HG2 MET 99 HG2 MET 99 -6.973 -6.607 -2.215 756 HG3 MET 99 HG1 MET 99 -7.083 -4.953 -1.611 757 HE1 MET 99 HE1 MET 99 -8.882 -7.951 0.303 758 HE2 MET 99 HE2 MET 99 -7.421 -8.755 0.889 759 HE3 MET 99 HE3 MET 99 -7.693 -8.562 -0.847 760 H LYS 100 HN LYS 100 -8.298 -8.665 -4.210 761 HA LYS 100 HA LYS 100 -9.919 -10.738 -3.013 762 HB2 LYS 100 HB2 LYS 100 -7.659 -11.026 -4.997 763 HB3 LYS 100 HB1 LYS 100 -8.887 -12.226 -4.611 764 HG2 LYS 100 HG2 LYS 100 -10.612 -10.711 -5.498 765 HG3 LYS 100 HG1 LYS 100 -9.347 -9.564 -5.941 766 HD2 LYS 100 HD2 LYS 100 -8.355 -11.213 -7.437 767 HD3 LYS 100 HD1 LYS 100 -9.582 -12.392 -6.970 768 HE2 LYS 100 HE2 LYS 100 -10.052 -9.772 -8.391 769 HE3 LYS 100 HE1 LYS 100 -10.155 -11.384 -9.100 770 HZ1 LYS 100 HZ1 LYS 100 -11.977 -11.870 -7.548 771 HZ2 LYS 100 HZ2 LYS 100 -12.344 -10.583 -8.583 772 HZ3 LYS 100 HZ3 LYS 100 -11.912 -10.279 -6.976 773 H GLY 101 HN GLY 101 -6.392 -10.758 -3.573 774 HA2 GLY 101 HA2 GLY 101 -6.066 -12.368 -1.166 775 HA3 GLY 101 HA1 GLY 101 -4.829 -12.022 -2.361 776 H LYS 102 HN LYS 102 -3.329 -10.575 -1.875 777 HA LYS 102 HA LYS 102 -2.040 -9.207 -0.556 778 HB2 LYS 102 HB2 LYS 102 -4.263 -7.377 0.027 779 HB3 LYS 102 HB1 LYS 102 -2.737 -7.074 -0.780 780 HG2 LYS 102 HG2 LYS 102 -4.727 -8.620 -2.302 781 HG3 LYS 102 HG1 LYS 102 -5.098 -6.923 -2.001 782 HD2 LYS 102 HD2 LYS 102 -3.747 -6.367 -3.669 783 HD3 LYS 102 HD1 LYS 102 -2.389 -7.035 -2.758 784 HE2 LYS 102 HE2 LYS 102 -2.981 -9.268 -3.694 785 HE3 LYS 102 HE1 LYS 102 -4.156 -8.464 -4.731 786 HZ1 LYS 102 HZ1 LYS 102 -1.232 -7.937 -4.712 787 HZ2 LYS 102 HZ2 LYS 102 -2.365 -7.179 -5.714 788 HZ3 LYS 102 HZ3 LYS 102 -2.062 -8.835 -5.881 789 H GLY 103 HN GLY 103 -3.324 -7.367 1.455 790 HA2 GLY 103 HA2 GLY 103 -4.048 -9.261 3.581 791 HA3 GLY 103 HA1 GLY 103 -2.706 -8.151 3.839 792 H SER 104 HN SER 104 -5.319 -8.354 5.244 793 HA SER 104 HA SER 104 -6.092 -5.546 4.914 794 HB2 SER 104 HB2 SER 104 -8.494 -6.244 5.132 795 HB3 SER 104 HB1 SER 104 -7.735 -6.705 3.615 796 HG SER 104 HG SER 104 -8.762 -8.505 4.311 797 H CYS 105 HN CYS 105 -6.745 -4.519 6.765 798 HA CYS 105 HA CYS 105 -6.071 -5.709 9.254 799 HB2 CYS 105 HB2 CYS 105 -6.855 -3.095 8.324 800 HB3 CYS 105 HB1 CYS 105 -7.772 -3.511 9.766 801 H THR 106 HN THR 106 -7.841 -5.602 11.104 802 HA THR 106 HA THR 106 -9.566 -6.841 11.964 803 HB THR 106 HB THR 106 -10.681 -4.709 11.163 804 HG1 THR 106 HG1 THR 106 -11.676 -6.790 12.240 805 HG21 THR 106 HG21 THR 106 -11.506 -6.513 8.885 806 HG22 THR 106 HG22 THR 106 -10.650 -4.974 8.778 807 HG23 THR 106 HG23 THR 106 -12.333 -5.014 9.299 808 H ASP 107 HN ASP 107 -7.998 -8.020 9.714 809 HA ASP 107 HA ASP 107 -9.629 -10.356 9.314 810 HB2 ASP 107 HB2 ASP 107 -10.448 -9.075 7.449 811 HB3 ASP 107 HB1 ASP 107 -8.814 -8.628 6.957 812 H GLY 108 HN GLY 108 -6.611 -8.646 9.026 813 HA2 GLY 108 HA2 GLY 108 -4.684 -10.026 9.834 814 HA3 GLY 108 HA1 GLY 108 -5.208 -11.219 8.655 815 H GLU 109 HN GLU 109 -4.248 -7.787 8.846 816 HA GLU 109 HA GLU 109 -3.488 -7.668 6.100 817 HB2 GLU 109 HB2 GLU 109 -2.617 -5.456 6.620 818 HB3 GLU 109 HB1 GLU 109 -4.218 -5.674 7.319 819 HG2 GLU 109 HG2 GLU 109 -3.295 -6.028 9.486 820 HG3 GLU 109 HG1 GLU 109 -1.660 -6.047 8.836 821 H GLU 110 HN GLU 110 -1.554 -7.991 5.146 822 HA GLU 110 HA GLU 110 0.811 -8.313 6.810 823 HB2 GLU 110 HB2 GLU 110 -0.578 -10.452 5.765 824 HB3 GLU 110 HB1 GLU 110 0.751 -10.213 4.641 825 HG2 GLU 110 HG2 GLU 110 2.327 -10.310 6.483 826 HG3 GLU 110 HG1 GLU 110 0.991 -10.548 7.607 827 H ILE 111 HN ILE 111 -0.209 -8.555 3.405 828 HA ILE 111 HA ILE 111 1.521 -6.379 2.647 829 HB ILE 111 HB ILE 111 2.731 -7.744 0.937 830 HG12 ILE 111 HG12 ILE 111 2.977 -10.213 1.696 831 HG13 ILE 111 HG11 ILE 111 1.436 -9.945 2.510 832 HG21 ILE 111 HG21 ILE 111 4.516 -8.271 2.360 833 HG22 ILE 111 HG22 ILE 111 3.440 -8.604 3.721 834 HG23 ILE 111 HG23 ILE 111 3.663 -6.944 3.157 835 HD11 ILE 111 HD11 ILE 111 0.419 -10.399 0.612 836 HD12 ILE 111 HD12 ILE 111 1.975 -10.513 -0.222 837 HD13 ILE 111 HD13 ILE 111 1.155 -8.958 -0.090 838 H PHE 112 HN PHE 112 1.625 -6.358 0.097 839 HA PHE 112 HA PHE 112 -1.146 -6.641 -0.835 840 HB2 PHE 112 HB2 PHE 112 -0.593 -4.385 -0.795 841 HB3 PHE 112 HB1 PHE 112 1.039 -4.655 -1.365 842 HD1 PHE 112 HD2 PHE 112 -2.505 -4.876 -2.500 843 HD2 PHE 112 HD1 PHE 112 1.551 -4.152 -3.550 844 HE1 PHE 112 HE2 PHE 112 -3.213 -4.204 -4.756 845 HE2 PHE 112 HE1 PHE 112 0.849 -3.467 -5.805 846 HZ PHE 112 HZ PHE 112 -1.536 -3.497 -6.413 847 H ARG 113 HN ARG 113 -0.477 -8.970 -1.291 848 HA ARG 113 HA ARG 113 0.608 -9.120 -4.022 849 HB2 ARG 113 HB2 ARG 113 1.905 -10.963 -3.567 850 HB3 ARG 113 HB1 ARG 113 2.036 -10.102 -2.047 851 HG2 ARG 113 HG2 ARG 113 0.202 -11.515 -1.149 852 HG3 ARG 113 HG1 ARG 113 0.261 -12.457 -2.645 853 HD2 ARG 113 HD2 ARG 113 2.849 -12.487 -1.974 854 HD3 ARG 113 HD1 ARG 113 2.132 -12.340 -0.374 855 HE ARG 113 HE ARG 113 0.929 -14.406 -1.952 856 HH11 ARG 113 HH11 ARG 113 3.591 -13.632 0.156 857 HH12 ARG 113 HH12 ARG 113 3.853 -15.274 0.640 858 HH21 ARG 113 HH21 ARG 113 1.264 -16.571 -1.321 859 HH22 ARG 113 HH22 ARG 113 2.530 -16.946 -0.201 860 H GLY 114 HN GLY 114 -0.490 -10.411 -5.469 861 HA2 GLY 114 HA2 GLY 114 -1.979 -12.489 -5.519 862 HA3 GLY 114 HA1 GLY 114 -3.008 -11.556 -4.444 863 H ASN 115 HN ASN 115 -4.671 -10.614 -5.395 864 HA ASN 115 HA ASN 115 -4.339 -9.336 -7.974 865 HB2 ASN 115 HB2 ASN 115 -6.145 -11.705 -7.546 866 HB3 ASN 115 HB1 ASN 115 -6.431 -10.538 -8.832 867 HD21 ASN 115 HD21 ASN 115 -4.381 -13.074 -7.659 868 HD22 ASN 115 HD22 ASN 115 -3.477 -13.298 -9.114 869 H ASP 116 HN ASP 116 -5.644 -7.646 -8.288 870 HA ASP 116 HA ASP 116 -7.887 -7.238 -6.427 871 HB2 ASP 116 HB2 ASP 116 -6.985 -4.686 -7.129 872 HB3 ASP 116 HB1 ASP 116 -6.822 -5.458 -5.557 873 H ALA 117 HN ALA 117 -9.683 -6.193 -7.287 874 HA ALA 117 HA ALA 117 -9.648 -5.875 -10.222 875 HB1 ALA 117 HB1 ALA 117 -10.907 -7.879 -9.391 876 HB2 ALA 117 HB2 ALA 117 -11.859 -6.745 -10.349 877 HB3 ALA 117 HB3 ALA 117 -12.021 -6.765 -8.589 878 H GLU 118 HN GLU 118 -11.409 -4.500 -11.054 879 HA GLU 118 HA GLU 118 -12.374 -2.451 -11.215 880 HB2 GLU 118 HB2 GLU 118 -12.947 -3.181 -8.342 881 HB3 GLU 118 HB1 GLU 118 -13.628 -1.751 -9.120 882 HG2 GLU 118 HG2 GLU 118 -14.057 -4.620 -9.916 883 HG3 GLU 118 HG1 GLU 118 -15.226 -3.550 -9.147 884 H CYS 119 HN CYS 119 -9.795 -1.953 -11.242 885 HA CYS 119 HA CYS 119 -9.393 0.093 -9.150 886 HB2 CYS 119 HB2 CYS 119 -7.068 -1.118 -10.584 887 HB3 CYS 119 HB1 CYS 119 -7.130 -0.356 -9.007 888 H ARG 120 HN ARG 120 -8.588 2.025 -9.638 889 HA ARG 120 HA ARG 120 -7.882 2.712 -12.373 890 HB2 ARG 120 HB2 ARG 120 -9.450 4.401 -12.542 891 HB3 ARG 120 HB1 ARG 120 -10.360 3.128 -11.752 892 HG2 ARG 120 HG2 ARG 120 -10.892 4.578 -10.188 893 HG3 ARG 120 HG1 ARG 120 -9.201 4.564 -9.690 894 HD2 ARG 120 HD2 ARG 120 -9.788 6.834 -10.075 895 HD3 ARG 120 HD1 ARG 120 -8.761 6.306 -11.409 896 HE ARG 120 HE ARG 120 -11.431 5.913 -12.143 897 HH11 ARG 120 HH11 ARG 120 -9.225 8.531 -11.488 898 HH12 ARG 120 HH12 ARG 120 -10.016 9.635 -12.562 899 HH21 ARG 120 HH21 ARG 120 -12.475 7.359 -13.558 900 HH22 ARG 120 HH22 ARG 120 -11.861 8.968 -13.741 901 HA PRO 121 HA PRO 121 -4.790 5.169 -10.393 902 HB2 PRO 121 HB2 PRO 121 -4.587 7.355 -11.934 903 HB3 PRO 121 HB1 PRO 121 -4.087 5.754 -12.504 904 HG2 PRO 121 HG2 PRO 121 -6.680 7.179 -12.974 905 HG3 PRO 121 HG1 PRO 121 -5.618 6.393 -14.158 906 HD2 PRO 121 HD2 PRO 121 -7.779 5.138 -13.194 907 HD3 PRO 121 HD1 PRO 121 -6.267 4.259 -13.501 908 H PHE 122 HN PHE 122 -4.930 6.233 -8.545 909 HA PHE 122 HA PHE 122 -6.987 8.311 -8.236 910 HB2 PHE 122 HB2 PHE 122 -6.483 6.005 -6.718 911 HB3 PHE 122 HB1 PHE 122 -5.881 7.335 -5.747 912 HD1 PHE 122 HD2 PHE 122 -8.773 7.603 -8.048 913 HD2 PHE 122 HD1 PHE 122 -7.448 7.233 -4.027 914 HE1 PHE 122 HE2 PHE 122 -11.047 8.114 -7.257 915 HE2 PHE 122 HE1 PHE 122 -9.712 7.732 -3.221 916 HZ PHE 122 HZ PHE 122 -11.521 8.181 -4.839 917 H THR 123 HN THR 123 -6.461 10.274 -7.335 918 HA THR 123 HA THR 123 -3.623 10.710 -6.687 919 HB THR 123 HB THR 123 -3.762 12.952 -7.711 920 HG1 THR 123 HG1 THR 123 -5.573 13.640 -8.659 921 HG21 THR 123 HG21 THR 123 -2.903 10.988 -8.962 922 HG22 THR 123 HG22 THR 123 -3.580 12.247 -9.994 923 HG23 THR 123 HG23 THR 123 -4.508 10.783 -9.664 924 H GLY 124 HN GLY 124 -3.645 10.994 -4.553 925 HA2 GLY 124 HA2 GLY 124 -5.797 12.170 -3.114 926 HA3 GLY 124 HA1 GLY 124 -4.208 11.783 -2.475 Start of MODEL 14 1 H1 HIS 6 HT1 HIS 6 -20.848 4.112 -5.276 2 H2 HIS 6 HT2 HIS 6 -20.400 5.615 -4.645 3 H3 HIS 6 HT3 HIS 6 -21.909 5.425 -5.384 4 HA HIS 6 HA HIS 6 -22.129 5.492 -2.990 5 HB2 HIS 6 HB2 HIS 6 -23.370 3.352 -2.723 6 HB3 HIS 6 HB1 HIS 6 -23.757 4.185 -4.224 7 HD1 HIS 6 HD1 HIS 6 -23.474 2.885 -6.342 8 HD2 HIS 6 HD2 HIS 6 -21.599 1.074 -3.106 9 HE1 HIS 6 HE1 HIS 6 -22.700 0.645 -7.180 10 HE2 HIS 6 HE2 HIS 6 -21.619 -0.458 -5.189 11 H ARG 7 HN ARG 7 -19.472 3.794 -4.112 12 HA ARG 7 HA ARG 7 -18.972 2.438 -1.583 13 HB2 ARG 7 HB2 ARG 7 -18.529 1.097 -3.509 14 HB3 ARG 7 HB1 ARG 7 -17.562 2.365 -4.243 15 HG2 ARG 7 HG2 ARG 7 -16.123 0.628 -3.428 16 HG3 ARG 7 HG1 ARG 7 -15.882 2.081 -2.462 17 HD2 ARG 7 HD2 ARG 7 -17.775 -0.069 -1.572 18 HD3 ARG 7 HD1 ARG 7 -16.047 -0.202 -1.270 19 HE ARG 7 HE ARG 7 -16.241 1.905 -0.014 20 HH11 ARG 7 HH11 ARG 7 -19.137 0.069 -0.636 21 HH12 ARG 7 HH12 ARG 7 -19.989 0.705 0.732 22 HH21 ARG 7 HH21 ARG 7 -17.353 2.745 1.790 23 HH22 ARG 7 HH22 ARG 7 -18.973 2.223 2.112 24 H SER 8 HN SER 8 -16.452 3.802 -3.559 25 HA SER 8 HA SER 8 -14.576 4.955 -2.888 26 HB2 SER 8 HB2 SER 8 -15.122 7.316 -2.239 27 HB3 SER 8 HB1 SER 8 -15.961 6.763 -3.692 28 HG SER 8 HG SER 8 -17.002 7.667 -1.393 29 H ALA 9 HN ALA 9 -14.072 3.410 -1.204 30 HA ALA 9 HA ALA 9 -14.868 3.641 1.459 31 HB1 ALA 9 HB1 ALA 9 -13.732 1.684 0.519 32 HB2 ALA 9 HB2 ALA 9 -12.929 2.275 1.975 33 HB3 ALA 9 HB3 ALA 9 -12.243 2.621 0.387 34 H ASN 10 HN ASN 10 -12.743 3.897 3.084 35 HA ASN 10 HA ASN 10 -12.359 6.744 3.125 36 HB2 ASN 10 HB2 ASN 10 -11.375 4.554 4.962 37 HB3 ASN 10 HB1 ASN 10 -11.107 6.271 5.244 38 HD21 ASN 10 HD21 ASN 10 -12.554 4.320 6.845 39 HD22 ASN 10 HD22 ASN 10 -14.162 4.932 7.012 40 H LEU 11 HN LEU 11 -11.149 5.644 0.842 41 HA LEU 11 HA LEU 11 -8.412 5.088 1.080 42 HB2 LEU 11 HB2 LEU 11 -9.652 6.645 -1.172 43 HB3 LEU 11 HB1 LEU 11 -8.231 5.640 -1.220 44 HG LEU 11 HG LEU 11 -10.808 4.361 -0.545 45 HD11 LEU 11 HD11 LEU 11 -11.307 5.855 -2.433 46 HD12 LEU 11 HD12 LEU 11 -11.405 4.149 -2.874 47 HD13 LEU 11 HD13 LEU 11 -9.992 5.101 -3.341 48 HD21 LEU 11 HD21 LEU 11 -9.854 2.466 -1.575 49 HD22 LEU 11 HD22 LEU 11 -8.556 3.199 -0.631 50 HD23 LEU 11 HD23 LEU 11 -8.619 3.437 -2.378 51 H ARG 12 HN ARG 12 -10.192 7.950 1.399 52 HA ARG 12 HA ARG 12 -8.258 9.865 0.691 53 HB2 ARG 12 HB2 ARG 12 -10.103 10.710 2.799 54 HB3 ARG 12 HB1 ARG 12 -9.873 11.361 1.183 55 HG2 ARG 12 HG2 ARG 12 -11.564 8.982 1.935 56 HG3 ARG 12 HG1 ARG 12 -12.141 10.577 1.457 57 HD2 ARG 12 HD2 ARG 12 -10.534 8.705 -0.289 58 HD3 ARG 12 HD1 ARG 12 -12.287 8.911 -0.369 59 HE ARG 12 HE ARG 12 -10.696 11.319 -0.717 60 HH11 ARG 12 HH11 ARG 12 -12.425 8.692 -2.221 61 HH12 ARG 12 HH12 ARG 12 -12.612 9.512 -3.735 62 HH21 ARG 12 HH21 ARG 12 -10.939 12.405 -2.707 63 HH22 ARG 12 HH22 ARG 12 -11.768 11.622 -4.012 64 H ALA 13 HN ALA 13 -8.932 8.165 3.675 65 HA ALA 13 HA ALA 13 -7.082 9.703 5.242 66 HB1 ALA 13 HB1 ALA 13 -7.379 7.957 6.927 67 HB2 ALA 13 HB2 ALA 13 -8.253 6.972 5.752 68 HB3 ALA 13 HB3 ALA 13 -8.935 8.505 6.302 69 H ALA 14 HN ALA 14 -7.073 6.776 3.393 70 HA ALA 14 HA ALA 14 -4.492 5.857 4.167 71 HB1 ALA 14 HB1 ALA 14 -6.017 5.203 1.647 72 HB2 ALA 14 HB2 ALA 14 -6.358 4.468 3.224 73 HB3 ALA 14 HB3 ALA 14 -4.789 4.222 2.453 74 H HIS 15 HN HIS 15 -5.770 7.787 1.555 75 HA HIS 15 HA HIS 15 -3.662 7.914 -0.172 76 HB2 HIS 15 HB2 HIS 15 -6.010 9.480 0.454 77 HB3 HIS 15 HB1 HIS 15 -4.674 10.543 0.057 78 HD1 HIS 15 HD1 HIS 15 -3.353 9.574 -2.261 79 HD2 HIS 15 HD2 HIS 15 -7.400 8.794 -1.736 80 HE1 HIS 15 HE1 HIS 15 -4.245 9.068 -4.547 81 HE2 HIS 15 HE2 HIS 15 -6.723 8.867 -4.233 82 H ALA 16 HN ALA 16 -4.139 9.447 2.936 83 HA ALA 16 HA ALA 16 -1.704 11.006 2.757 84 HB1 ALA 16 HB1 ALA 16 -3.588 11.995 3.909 85 HB2 ALA 16 HB2 ALA 16 -2.267 11.726 5.048 86 HB3 ALA 16 HB3 ALA 16 -3.653 10.635 5.029 87 H ALA 17 HN ALA 17 -2.732 7.923 3.935 88 HA ALA 17 HA ALA 17 -0.562 7.540 5.762 89 HB1 ALA 17 HB1 ALA 17 -2.514 5.630 4.528 90 HB2 ALA 17 HB2 ALA 17 -2.504 6.265 6.174 91 HB3 ALA 17 HB3 ALA 17 -1.245 5.139 5.657 92 H LEU 18 HN LEU 18 -1.340 5.984 2.633 93 HA LEU 18 HA LEU 18 1.166 4.823 2.211 94 HB2 LEU 18 HB2 LEU 18 -0.786 5.874 0.148 95 HB3 LEU 18 HB1 LEU 18 0.546 4.788 -0.195 96 HG LEU 18 HG LEU 18 -1.021 3.193 -0.068 97 HD11 LEU 18 HD11 LEU 18 0.238 2.759 1.962 98 HD12 LEU 18 HD12 LEU 18 -1.450 2.274 2.131 99 HD13 LEU 18 HD13 LEU 18 -0.883 3.768 2.877 100 HD21 LEU 18 HD21 LEU 18 -2.793 4.765 1.742 101 HD22 LEU 18 HD22 LEU 18 -3.220 3.563 0.519 102 HD23 LEU 18 HD23 LEU 18 -2.646 5.163 0.026 103 H LEU 19 HN LEU 19 0.021 8.039 1.931 104 HA LEU 19 HA LEU 19 2.238 9.066 0.412 105 HB2 LEU 19 HB2 LEU 19 0.247 10.336 0.278 106 HB3 LEU 19 HB1 LEU 19 -0.014 10.275 2.004 107 HG LEU 19 HG LEU 19 0.727 12.495 0.877 108 HD11 LEU 19 HD11 LEU 19 2.127 11.501 3.346 109 HD12 LEU 19 HD12 LEU 19 0.462 12.083 3.289 110 HD13 LEU 19 HD13 LEU 19 1.795 13.182 2.923 111 HD21 LEU 19 HD21 LEU 19 2.716 11.272 -0.195 112 HD22 LEU 19 HD22 LEU 19 3.456 11.382 1.402 113 HD23 LEU 19 HD23 LEU 19 3.004 12.852 0.538 114 H GLU 20 HN GLU 20 1.170 9.069 3.764 115 HA GLU 20 HA GLU 20 3.296 10.324 5.008 116 HB2 GLU 20 HB2 GLU 20 1.205 9.691 6.152 117 HB3 GLU 20 HB1 GLU 20 1.665 8.001 6.029 118 HG2 GLU 20 HG2 GLU 20 2.243 8.517 8.189 119 HG3 GLU 20 HG1 GLU 20 3.770 8.709 7.324 120 H ASN 21 HN ASN 21 2.972 7.186 3.641 121 HA ASN 21 HA ASN 21 5.438 6.163 4.757 122 HB2 ASN 21 HB2 ASN 21 4.104 4.337 4.389 123 HB3 ASN 21 HB1 ASN 21 3.238 5.098 3.062 124 HD21 ASN 21 HD21 ASN 21 4.037 4.951 0.989 125 HD22 ASN 21 HD22 ASN 21 5.284 3.837 0.556 126 H ALA 22 HN ALA 22 4.130 7.101 1.617 127 HA ALA 22 HA ALA 22 6.225 6.741 -0.062 128 HB1 ALA 22 HB1 ALA 22 4.000 7.637 -0.700 129 HB2 ALA 22 HB2 ALA 22 5.338 8.517 -1.439 130 HB3 ALA 22 HB3 ALA 22 4.484 9.208 -0.057 131 H ARG 23 HN ARG 23 5.875 9.358 2.285 132 HA ARG 23 HA ARG 23 8.184 10.787 1.365 133 HB2 ARG 23 HB2 ARG 23 7.992 12.023 3.501 134 HB3 ARG 23 HB1 ARG 23 6.470 11.973 2.619 135 HG2 ARG 23 HG2 ARG 23 5.610 10.288 4.109 136 HG3 ARG 23 HG1 ARG 23 7.173 10.164 4.920 137 HD2 ARG 23 HD2 ARG 23 5.652 11.499 6.246 138 HD3 ARG 23 HD1 ARG 23 6.970 12.502 5.642 139 HE ARG 23 HE ARG 23 4.844 12.687 3.839 140 HH11 ARG 23 HH11 ARG 23 5.607 13.562 7.123 141 HH12 ARG 23 HH12 ARG 23 4.547 14.933 7.143 142 HH21 ARG 23 HH21 ARG 23 3.441 14.489 3.855 143 HH22 ARG 23 HH22 ARG 23 3.314 15.458 5.285 144 H PHE 24 HN PHE 24 7.487 8.549 4.011 145 HA PHE 24 HA PHE 24 10.103 8.423 5.043 146 HB2 PHE 24 HB2 PHE 24 7.579 6.975 5.358 147 HB3 PHE 24 HB1 PHE 24 8.979 5.931 5.538 148 HD1 PHE 24 HD2 PHE 24 10.552 6.268 7.366 149 HD2 PHE 24 HD1 PHE 24 7.093 8.711 6.938 150 HE1 PHE 24 HE2 PHE 24 10.833 7.064 9.677 151 HE2 PHE 24 HE1 PHE 24 7.368 9.512 9.248 152 HZ PHE 24 HZ PHE 24 9.239 8.688 10.622 153 H MET 25 HN MET 25 8.582 7.107 2.268 154 HA MET 25 HA MET 25 10.509 5.030 1.742 155 HB2 MET 25 HB2 MET 25 8.477 6.395 -0.069 156 HB3 MET 25 HB1 MET 25 9.429 4.989 -0.516 157 HG2 MET 25 HG2 MET 25 7.319 5.130 1.621 158 HG3 MET 25 HG1 MET 25 7.176 4.354 0.049 159 HE1 MET 25 HE1 MET 25 8.726 2.741 3.906 160 HE2 MET 25 HE2 MET 25 8.100 4.348 3.521 161 HE3 MET 25 HE3 MET 25 9.813 3.991 3.292 162 H GLU 26 HN GLU 26 9.710 8.236 0.571 163 HA GLU 26 HA GLU 26 11.858 8.656 -1.163 164 HB2 GLU 26 HB2 GLU 26 9.828 10.287 0.232 165 HB3 GLU 26 HB1 GLU 26 11.289 11.155 -0.182 166 HG2 GLU 26 HG2 GLU 26 10.853 10.008 -2.534 167 HG3 GLU 26 HG1 GLU 26 9.195 10.005 -1.929 168 H GLN 27 HN GLN 27 11.581 8.578 2.246 169 HA GLN 27 HA GLN 27 13.984 10.040 2.843 170 HB2 GLN 27 HB2 GLN 27 12.091 8.410 4.485 171 HB3 GLN 27 HB1 GLN 27 13.563 9.060 5.160 172 HG2 GLN 27 HG2 GLN 27 12.816 11.186 5.037 173 HG3 GLN 27 HG1 GLN 27 11.695 10.862 3.736 174 HE21 GLN 27 HE21 GLN 27 9.961 11.819 4.758 175 HE22 GLN 27 HE22 GLN 27 9.211 11.151 6.163 176 H PHE 28 HN PHE 28 12.962 6.666 3.282 177 HA PHE 28 HA PHE 28 15.313 5.515 4.055 178 HB2 PHE 28 HB2 PHE 28 13.092 4.370 3.784 179 HB3 PHE 28 HB1 PHE 28 13.416 4.311 2.063 180 HD1 PHE 28 HD2 PHE 28 14.524 3.065 5.342 181 HD2 PHE 28 HD1 PHE 28 14.864 2.697 1.117 182 HE1 PHE 28 HE2 PHE 28 15.743 0.946 5.629 183 HE2 PHE 28 HE1 PHE 28 16.080 0.574 1.394 184 HZ PHE 28 HZ PHE 28 16.524 -0.302 3.653 185 H TYR 29 HN TYR 29 14.236 6.199 0.757 186 HA TYR 29 HA TYR 29 16.537 5.186 -0.555 187 HB2 TYR 29 HB2 TYR 29 14.486 5.509 -1.799 188 HB3 TYR 29 HB1 TYR 29 14.444 7.216 -1.385 189 HD1 TYR 29 HD1 TYR 29 16.117 4.666 -3.449 190 HD2 TYR 29 HD2 TYR 29 15.730 8.821 -2.622 191 HE1 TYR 29 HE1 TYR 29 17.335 5.185 -5.521 192 HE2 TYR 29 HE2 TYR 29 16.946 9.352 -4.691 193 HH TYR 29 HH TYR 29 17.558 7.051 -7.106 194 H ALA 30 HN ALA 30 15.572 8.345 0.658 195 HA ALA 30 HA ALA 30 17.790 9.817 -0.290 196 HB1 ALA 30 HB1 ALA 30 17.118 11.420 1.564 197 HB2 ALA 30 HB2 ALA 30 15.843 10.267 1.968 198 HB3 ALA 30 HB3 ALA 30 15.870 11.033 0.380 199 H LYS 31 HN LYS 31 17.452 7.492 2.142 200 HA LYS 31 HA LYS 31 19.882 8.349 3.546 201 HB2 LYS 31 HB2 LYS 31 17.892 6.215 4.337 202 HB3 LYS 31 HB1 LYS 31 19.203 6.846 5.325 203 HG2 LYS 31 HG2 LYS 31 18.050 8.683 5.920 204 HG3 LYS 31 HG1 LYS 31 17.264 8.834 4.348 205 HD2 LYS 31 HD2 LYS 31 15.635 7.203 4.891 206 HD3 LYS 31 HD1 LYS 31 16.548 6.660 6.303 207 HE2 LYS 31 HE2 LYS 31 15.236 9.356 5.975 208 HE3 LYS 31 HE1 LYS 31 14.610 8.017 6.934 209 HZ1 LYS 31 HZ1 LYS 31 15.769 9.659 8.294 210 HZ2 LYS 31 HZ2 LYS 31 17.192 9.402 7.416 211 HZ3 LYS 31 HZ3 LYS 31 16.542 8.156 8.357 212 H LYS 32 HN LYS 32 18.572 5.973 1.426 213 HA LYS 32 HA LYS 32 21.027 4.369 1.644 214 HB2 LYS 32 HB2 LYS 32 18.164 3.608 1.393 215 HB3 LYS 32 HB1 LYS 32 19.359 2.590 0.611 216 HG2 LYS 32 HG2 LYS 32 19.795 3.354 3.443 217 HG3 LYS 32 HG1 LYS 32 18.563 2.147 3.075 218 HD2 LYS 32 HD2 LYS 32 20.197 0.775 1.934 219 HD3 LYS 32 HD1 LYS 32 21.439 2.007 2.176 220 HE2 LYS 32 HE2 LYS 32 21.299 1.706 4.581 221 HE3 LYS 32 HE1 LYS 32 19.998 0.535 4.379 222 HZ1 LYS 32 HZ1 LYS 32 21.530 -0.910 3.196 223 HZ2 LYS 32 HZ2 LYS 32 22.120 -0.556 4.741 224 HZ3 LYS 32 HZ3 LYS 32 22.780 0.216 3.388 225 H GLY 33 HN GLY 33 18.445 4.067 -0.713 226 HA2 GLY 33 HA2 GLY 33 19.005 5.435 -2.882 227 HA3 GLY 33 HA1 GLY 33 20.406 4.372 -2.865 228 H SER 34 HN SER 34 18.240 2.495 -1.502 229 HA SER 34 HA SER 34 16.573 1.729 -3.713 230 HB2 SER 34 HB2 SER 34 18.816 -0.124 -2.856 231 HB3 SER 34 HB1 SER 34 17.514 -0.538 -3.972 232 HG SER 34 HG SER 34 18.894 0.164 -5.404 233 H PHE 35 HN PHE 35 15.157 -0.116 -3.109 234 HA PHE 35 HA PHE 35 14.807 -0.156 -0.195 235 HB2 PHE 35 HB2 PHE 35 12.958 0.147 -2.391 236 HB3 PHE 35 HB1 PHE 35 12.466 -1.182 -1.339 237 HD1 PHE 35 HD1 PHE 35 13.309 2.402 -1.434 238 HD2 PHE 35 HD2 PHE 35 11.605 -0.777 0.819 239 HE1 PHE 35 HE1 PHE 35 12.446 4.026 0.194 240 HE2 PHE 35 HE2 PHE 35 10.737 0.843 2.454 241 HZ PHE 35 HZ PHE 35 11.158 3.249 2.139 242 H LYS 36 HN LYS 36 14.177 -2.390 -2.931 243 HA LYS 36 HA LYS 36 14.490 -4.616 -1.098 244 HB2 LYS 36 HB2 LYS 36 12.801 -5.156 -2.487 245 HB3 LYS 36 HB1 LYS 36 13.466 -4.284 -3.858 246 HG2 LYS 36 HG2 LYS 36 15.089 -6.099 -4.191 247 HG3 LYS 36 HG1 LYS 36 14.375 -6.968 -2.829 248 HD2 LYS 36 HD2 LYS 36 12.233 -7.059 -4.005 249 HD3 LYS 36 HD1 LYS 36 12.932 -6.172 -5.359 250 HE2 LYS 36 HE2 LYS 36 14.549 -8.012 -5.683 251 HE3 LYS 36 HE1 LYS 36 13.758 -8.903 -4.383 252 HZ1 LYS 36 HZ1 LYS 36 11.707 -8.871 -5.687 253 HZ2 LYS 36 HZ2 LYS 36 12.960 -9.648 -6.515 254 HZ3 LYS 36 HZ3 LYS 36 12.510 -8.076 -6.947 255 H LEU 37 HN LEU 37 16.056 -6.177 -1.179 256 HA LEU 37 HA LEU 37 18.453 -5.418 -2.730 257 HB2 LEU 37 HB2 LEU 37 19.382 -6.977 -0.665 258 HB3 LEU 37 HB1 LEU 37 19.459 -5.230 -0.760 259 HG LEU 37 HG LEU 37 17.139 -6.696 0.517 260 HD11 LEU 37 HD11 LEU 37 19.650 -5.600 1.791 261 HD12 LEU 37 HD12 LEU 37 19.154 -7.291 1.719 262 HD13 LEU 37 HD13 LEU 37 18.216 -6.135 2.665 263 HD21 LEU 37 HD21 LEU 37 16.477 -4.508 -0.001 264 HD22 LEU 37 HD22 LEU 37 18.071 -3.836 0.372 265 HD23 LEU 37 HD23 LEU 37 17.024 -4.397 1.676 266 H THR 38 HN THR 38 16.385 -8.068 -1.747 267 HA THR 38 HA THR 38 17.690 -9.749 -3.745 268 HB THR 38 HB THR 38 18.851 -10.264 -1.633 269 HG1 THR 38 HG1 THR 38 18.757 -12.070 -2.837 270 HG21 THR 38 HG21 THR 38 17.650 -11.218 0.240 271 HG22 THR 38 HG22 THR 38 16.127 -11.111 -0.650 272 HG23 THR 38 HG23 THR 38 16.962 -9.634 -0.150 273 H SER 39 HN SER 39 16.473 -11.901 -3.892 274 HA SER 39 HA SER 39 13.667 -11.278 -4.108 275 HB2 SER 39 HB2 SER 39 14.954 -13.927 -4.758 276 HB3 SER 39 HB1 SER 39 13.469 -13.241 -5.417 277 HG SER 39 HG SER 39 15.572 -13.133 -6.678 278 H THR 40 HN THR 40 12.112 -11.957 -2.870 279 HA THR 40 HA THR 40 10.920 -12.979 -1.252 280 HB THR 40 HB THR 40 11.516 -15.063 -0.253 281 HG1 THR 40 HG1 THR 40 13.666 -15.963 -0.813 282 HG21 THR 40 HG21 THR 40 11.765 -16.447 -2.189 283 HG22 THR 40 HG22 THR 40 12.515 -15.134 -3.093 284 HG23 THR 40 HG23 THR 40 10.807 -15.035 -2.649 285 H LYS 41 HN LYS 41 12.381 -10.733 -0.828 286 HA LYS 41 HA LYS 41 13.179 -10.915 1.998 287 HB2 LYS 41 HB2 LYS 41 14.934 -9.519 1.572 288 HB3 LYS 41 HB1 LYS 41 14.707 -10.058 -0.084 289 HG2 LYS 41 HG2 LYS 41 14.707 -7.836 -0.422 290 HG3 LYS 41 HG1 LYS 41 12.985 -8.087 -0.100 291 HD2 LYS 41 HD2 LYS 41 13.086 -7.131 1.964 292 HD3 LYS 41 HD1 LYS 41 14.776 -7.583 2.210 293 HE2 LYS 41 HE2 LYS 41 15.385 -5.943 0.465 294 HE3 LYS 41 HE1 LYS 41 13.708 -5.400 0.450 295 HZ1 LYS 41 HZ1 LYS 41 15.047 -3.987 1.868 296 HZ2 LYS 41 HZ2 LYS 41 15.536 -5.317 2.792 297 HZ3 LYS 41 HZ3 LYS 41 13.916 -4.832 2.801 298 H TRP 42 HN TRP 42 12.431 -9.077 3.367 299 HA TRP 42 HA TRP 42 10.230 -7.585 2.118 300 HB2 TRP 42 HB2 TRP 42 10.040 -9.540 4.292 301 HB3 TRP 42 HB1 TRP 42 9.234 -8.008 4.609 302 HD1 TRP 42 HD1 TRP 42 8.652 -7.974 1.189 303 HE1 TRP 42 HE1 TRP 42 6.501 -9.178 0.492 304 HE3 TRP 42 HE3 TRP 42 7.871 -10.774 5.402 305 HZ2 TRP 42 HZ2 TRP 42 4.705 -11.036 1.562 306 HZ3 TRP 42 HZ3 TRP 42 5.898 -12.246 5.478 307 HH2 TRP 42 HH2 TRP 42 4.347 -12.376 3.596 308 HA PRO 43 HA PRO 43 12.451 -4.366 4.500 309 HB2 PRO 43 HB2 PRO 43 11.500 -2.312 2.978 310 HB3 PRO 43 HB1 PRO 43 12.917 -3.260 2.512 311 HG2 PRO 43 HG2 PRO 43 10.076 -3.526 1.596 312 HG3 PRO 43 HG1 PRO 43 11.567 -3.556 0.635 313 HD2 PRO 43 HD2 PRO 43 10.286 -5.819 1.331 314 HD3 PRO 43 HD1 PRO 43 12.061 -5.738 1.227 315 H GLU 44 HN GLU 44 11.453 -3.628 6.368 316 HA GLU 44 HA GLU 44 8.705 -3.903 6.767 317 HB2 GLU 44 HB2 GLU 44 10.411 -3.901 8.564 318 HB3 GLU 44 HB1 GLU 44 10.529 -2.160 8.376 319 HG2 GLU 44 HG2 GLU 44 7.792 -2.980 8.647 320 HG3 GLU 44 HG1 GLU 44 8.774 -3.548 9.996 321 H LEU 45 HN LEU 45 7.031 -2.517 6.961 322 HA LEU 45 HA LEU 45 7.170 -0.111 5.316 323 HB2 LEU 45 HB2 LEU 45 4.757 -0.224 5.321 324 HB3 LEU 45 HB1 LEU 45 5.418 -1.800 4.926 325 HG LEU 45 HG LEU 45 4.948 -1.545 7.745 326 HD11 LEU 45 HD11 LEU 45 2.693 -0.901 5.957 327 HD12 LEU 45 HD12 LEU 45 3.252 -0.051 7.400 328 HD13 LEU 45 HD13 LEU 45 2.461 -1.623 7.550 329 HD21 LEU 45 HD21 LEU 45 5.018 -3.693 7.353 330 HD22 LEU 45 HD22 LEU 45 4.632 -3.469 5.648 331 HD23 LEU 45 HD23 LEU 45 3.335 -3.518 6.843 332 HA PRO 46 HA PRO 46 6.935 2.599 8.834 333 HB2 PRO 46 HB2 PRO 46 6.191 4.885 7.609 334 HB3 PRO 46 HB1 PRO 46 7.811 4.202 7.445 335 HG2 PRO 46 HG2 PRO 46 5.517 4.115 5.550 336 HG3 PRO 46 HG1 PRO 46 7.248 4.269 5.212 337 HD2 PRO 46 HD2 PRO 46 5.794 1.932 4.993 338 HD3 PRO 46 HD1 PRO 46 7.550 2.014 5.189 339 H VAL 47 HN VAL 47 4.248 3.668 6.713 340 HA VAL 47 HA VAL 47 2.550 3.988 9.020 341 HB VAL 47 HB VAL 47 2.376 5.512 7.014 342 HG11 VAL 47 HG11 VAL 47 2.561 3.803 5.283 343 HG12 VAL 47 HG12 VAL 47 1.094 4.765 5.101 344 HG13 VAL 47 HG13 VAL 47 1.002 3.145 5.787 345 HG21 VAL 47 HG21 VAL 47 0.609 5.253 8.763 346 HG22 VAL 47 HG22 VAL 47 -0.201 4.115 7.683 347 HG23 VAL 47 HG23 VAL 47 0.021 5.794 7.192 348 H LYS 48 HN LYS 48 0.959 2.692 9.708 349 HA LYS 48 HA LYS 48 0.428 0.233 8.187 350 HB2 LYS 48 HB2 LYS 48 0.350 0.356 11.189 351 HB3 LYS 48 HB1 LYS 48 0.442 -1.064 10.157 352 HG2 LYS 48 HG2 LYS 48 2.630 -1.081 10.493 353 HG3 LYS 48 HG1 LYS 48 2.734 0.420 9.574 354 HD2 LYS 48 HD2 LYS 48 2.304 0.192 12.553 355 HD3 LYS 48 HD1 LYS 48 3.812 0.644 11.756 356 HE2 LYS 48 HE2 LYS 48 2.629 2.590 10.758 357 HE3 LYS 48 HE1 LYS 48 1.206 2.165 11.712 358 HZ1 LYS 48 HZ1 LYS 48 2.464 3.870 12.823 359 HZ2 LYS 48 HZ2 LYS 48 3.872 2.934 12.777 360 HZ3 LYS 48 HZ3 LYS 48 2.560 2.441 13.725 361 H GLU 49 HN GLU 49 -0.790 3.057 9.156 362 HA GLU 49 HA GLU 49 -3.492 2.270 8.759 363 HB2 GLU 49 HB2 GLU 49 -3.165 1.554 11.108 364 HB3 GLU 49 HB1 GLU 49 -2.786 3.216 11.529 365 HG2 GLU 49 HG2 GLU 49 -4.998 3.931 10.957 366 HG3 GLU 49 HG1 GLU 49 -5.395 2.335 10.323 367 H ALA 50 HN ALA 50 -4.747 3.931 8.216 368 HA ALA 50 HA ALA 50 -3.546 6.603 8.113 369 HB1 ALA 50 HB1 ALA 50 -5.204 5.021 6.332 370 HB2 ALA 50 HB2 ALA 50 -4.222 6.446 5.993 371 HB3 ALA 50 HB3 ALA 50 -5.865 6.634 6.599 372 H GLY 51 HN GLY 51 -6.844 5.354 8.259 373 HA2 GLY 51 HA2 GLY 51 -7.539 6.496 10.756 374 HA3 GLY 51 HA1 GLY 51 -8.069 7.545 9.443 375 H GLY 52 HN GLY 52 -8.457 5.390 7.598 376 HA2 GLY 52 HA2 GLY 52 -10.702 3.910 8.771 377 HA3 GLY 52 HA1 GLY 52 -10.898 4.773 7.254 378 H PHE 53 HN PHE 53 -7.868 3.994 7.047 379 HA PHE 53 HA PHE 53 -8.278 1.260 6.017 380 HB2 PHE 53 HB2 PHE 53 -6.895 3.624 4.802 381 HB3 PHE 53 HB1 PHE 53 -6.238 2.030 4.503 382 HD1 PHE 53 HD1 PHE 53 -9.764 3.261 4.630 383 HD2 PHE 53 HD2 PHE 53 -6.674 1.470 2.347 384 HE1 PHE 53 HE1 PHE 53 -11.328 2.958 2.772 385 HE2 PHE 53 HE2 PHE 53 -8.232 1.149 0.478 386 HZ PHE 53 HZ PHE 53 -10.566 1.898 0.688 387 H CYS 54 HN CYS 54 -6.286 -0.052 6.013 388 HA CYS 54 HA CYS 54 -4.281 0.897 7.939 389 HB2 CYS 54 HB2 CYS 54 -4.155 -1.142 9.055 390 HB3 CYS 54 HB1 CYS 54 -5.880 -0.980 8.770 391 H ILE 55 HN ILE 55 -2.159 0.348 7.493 392 HA ILE 55 HA ILE 55 -1.779 -0.456 4.698 393 HB ILE 55 HB ILE 55 -0.161 1.447 6.369 394 HG12 ILE 55 HG12 ILE 55 -1.065 3.060 4.571 395 HG13 ILE 55 HG11 ILE 55 -2.252 1.807 4.246 396 HG21 ILE 55 HG21 ILE 55 0.873 2.007 4.137 397 HG22 ILE 55 HG22 ILE 55 0.149 0.513 3.535 398 HG23 ILE 55 HG23 ILE 55 1.331 0.457 4.843 399 HD11 ILE 55 HD11 ILE 55 -3.255 2.049 6.326 400 HD12 ILE 55 HD12 ILE 55 -2.918 3.698 5.801 401 HD13 ILE 55 HD13 ILE 55 -1.874 2.921 6.993 402 H ARG 56 HN ARG 56 0.008 -1.562 4.061 403 HA ARG 56 HA ARG 56 1.890 -2.705 5.985 404 HB2 ARG 56 HB2 ARG 56 -0.213 -4.298 4.514 405 HB3 ARG 56 HB1 ARG 56 1.350 -5.020 4.861 406 HG2 ARG 56 HG2 ARG 56 -0.270 -3.762 7.036 407 HG3 ARG 56 HG1 ARG 56 -0.602 -5.405 6.489 408 HD2 ARG 56 HD2 ARG 56 1.786 -5.961 6.921 409 HD3 ARG 56 HD1 ARG 56 1.987 -4.352 7.615 410 HE ARG 56 HE ARG 56 -0.165 -5.682 8.867 411 HH11 ARG 56 HH11 ARG 56 3.317 -5.704 8.704 412 HH12 ARG 56 HH12 ARG 56 3.515 -6.331 10.307 413 HH21 ARG 56 HH21 ARG 56 0.088 -6.507 10.974 414 HH22 ARG 56 HH22 ARG 56 1.679 -6.787 11.597 415 H MET 57 HN MET 57 3.573 -3.985 4.807 416 HA MET 57 HA MET 57 4.583 -2.485 2.651 417 HB2 MET 57 HB2 MET 57 5.833 -3.926 4.404 418 HB3 MET 57 HB1 MET 57 5.556 -5.246 3.271 419 HG2 MET 57 HG2 MET 57 6.524 -3.223 1.675 420 HG3 MET 57 HG1 MET 57 7.459 -3.065 3.160 421 HE1 MET 57 HE1 MET 57 7.302 -6.730 0.412 422 HE2 MET 57 HE2 MET 57 6.281 -5.297 0.320 423 HE3 MET 57 HE3 MET 57 6.011 -6.495 1.589 424 H SER 58 HN SER 58 5.118 -3.175 0.519 425 HA SER 58 HA SER 58 3.094 -4.020 -1.059 426 HB2 SER 58 HB2 SER 58 5.051 -3.068 -2.056 427 HB3 SER 58 HB1 SER 58 6.064 -4.397 -1.481 428 HG SER 58 HG SER 58 5.545 -4.686 -3.662 429 H GLY 59 HN GLY 59 3.273 -6.078 -2.554 430 HA2 GLY 59 HA2 GLY 59 2.234 -8.206 -1.197 431 HA3 GLY 59 HA1 GLY 59 2.906 -8.309 -2.803 432 H GLN 60 HN GLN 60 3.538 -10.371 -2.520 433 HA GLN 60 HA GLN 60 4.981 -11.456 -0.406 434 HB2 GLN 60 HB2 GLN 60 5.791 -13.032 -2.392 435 HB3 GLN 60 HB1 GLN 60 4.162 -13.102 -1.743 436 HG2 GLN 60 HG2 GLN 60 3.304 -11.796 -3.543 437 HG3 GLN 60 HG1 GLN 60 4.934 -11.459 -4.135 438 HE21 GLN 60 HE21 GLN 60 6.067 -13.063 -5.223 439 HE22 GLN 60 HE22 GLN 60 5.293 -14.472 -5.856 440 H ALA 61 HN ALA 61 7.061 -11.645 0.081 441 HA ALA 61 HA ALA 61 8.927 -9.729 -0.588 442 HB1 ALA 61 HB1 ALA 61 10.528 -11.046 0.561 443 HB2 ALA 61 HB2 ALA 61 9.619 -12.528 0.269 444 HB3 ALA 61 HB3 ALA 61 8.977 -11.301 1.362 445 H LYS 62 HN LYS 62 8.077 -12.583 -2.345 446 HA LYS 62 HA LYS 62 10.492 -12.817 -3.853 447 HB2 LYS 62 HB2 LYS 62 9.084 -14.731 -3.513 448 HB3 LYS 62 HB1 LYS 62 7.727 -13.920 -4.260 449 HG2 LYS 62 HG2 LYS 62 8.349 -15.169 -6.029 450 HG3 LYS 62 HG1 LYS 62 9.465 -13.829 -6.294 451 HD2 LYS 62 HD2 LYS 62 10.295 -16.060 -4.513 452 HD3 LYS 62 HD1 LYS 62 10.328 -16.308 -6.263 453 HE2 LYS 62 HE2 LYS 62 11.734 -14.145 -4.707 454 HE3 LYS 62 HE1 LYS 62 12.486 -15.538 -5.486 455 HZ1 LYS 62 HZ1 LYS 62 11.754 -14.689 -7.631 456 HZ2 LYS 62 HZ2 LYS 62 12.720 -13.552 -6.835 457 HZ3 LYS 62 HZ3 LYS 62 11.042 -13.350 -6.882 458 H GLY 63 HN GLY 63 7.973 -10.642 -3.896 459 HA2 GLY 63 HA2 GLY 63 8.804 -9.541 -6.470 460 HA3 GLY 63 HA1 GLY 63 7.097 -9.887 -6.237 461 H ILE 64 HN ILE 64 9.803 -8.170 -4.746 462 HA ILE 64 HA ILE 64 7.857 -6.239 -3.707 463 HB ILE 64 HB ILE 64 10.485 -7.137 -2.561 464 HG12 ILE 64 HG12 ILE 64 8.921 -8.693 -1.941 465 HG13 ILE 64 HG11 ILE 64 8.775 -7.539 -0.620 466 HG21 ILE 64 HG21 ILE 64 9.763 -5.662 -0.617 467 HG22 ILE 64 HG22 ILE 64 8.731 -4.835 -1.788 468 HG23 ILE 64 HG23 ILE 64 10.482 -4.866 -2.019 469 HD11 ILE 64 HD11 ILE 64 6.912 -6.496 -2.107 470 HD12 ILE 64 HD12 ILE 64 6.586 -7.942 -1.150 471 HD13 ILE 64 HD13 ILE 64 6.912 -8.090 -2.883 472 H LEU 65 HN LEU 65 8.123 -4.193 -3.747 473 HA LEU 65 HA LEU 65 8.687 -2.777 -5.831 474 HB2 LEU 65 HB2 LEU 65 9.633 -1.015 -4.042 475 HB3 LEU 65 HB1 LEU 65 7.933 -1.381 -4.263 476 HG LEU 65 HG LEU 65 8.368 -3.186 -2.455 477 HD11 LEU 65 HD11 LEU 65 10.135 -2.456 -0.851 478 HD12 LEU 65 HD12 LEU 65 10.702 -1.319 -2.078 479 HD13 LEU 65 HD13 LEU 65 10.762 -3.054 -2.390 480 HD21 LEU 65 HD21 LEU 65 7.209 -0.797 -2.401 481 HD22 LEU 65 HD22 LEU 65 8.560 -0.455 -1.315 482 HD23 LEU 65 HD23 LEU 65 7.433 -1.762 -0.940 483 H GLU 66 HN GLU 66 10.239 -1.764 -6.932 484 HA GLU 66 HA GLU 66 12.988 -1.693 -6.067 485 HB2 GLU 66 HB2 GLU 66 12.034 -3.726 -7.993 486 HB3 GLU 66 HB1 GLU 66 13.473 -2.838 -8.480 487 HG2 GLU 66 HG2 GLU 66 13.261 -4.114 -5.778 488 HG3 GLU 66 HG1 GLU 66 13.787 -5.024 -7.197 489 H GLY 67 HN GLY 67 13.509 0.330 -6.579 490 HA2 GLY 67 HA2 GLY 67 13.816 2.224 -7.894 491 HA3 GLY 67 HA1 GLY 67 13.115 1.343 -9.254 492 H LYS 68 HN LYS 68 11.110 0.788 -6.846 493 HA LYS 68 HA LYS 68 9.473 3.211 -7.024 494 HB2 LYS 68 HB2 LYS 68 7.689 2.168 -8.015 495 HB3 LYS 68 HB1 LYS 68 8.917 1.061 -8.625 496 HG2 LYS 68 HG2 LYS 68 8.511 -0.456 -6.771 497 HG3 LYS 68 HG1 LYS 68 7.313 0.649 -6.104 498 HD2 LYS 68 HD2 LYS 68 5.834 0.276 -7.927 499 HD3 LYS 68 HD1 LYS 68 7.082 -0.575 -8.846 500 HE2 LYS 68 HE2 LYS 68 7.130 -2.303 -7.061 501 HE3 LYS 68 HE1 LYS 68 5.771 -1.481 -6.284 502 HZ1 LYS 68 HZ1 LYS 68 5.760 -2.673 -9.009 503 HZ2 LYS 68 HZ2 LYS 68 4.462 -1.855 -8.295 504 HZ3 LYS 68 HZ3 LYS 68 5.004 -3.318 -7.639 505 H PHE 69 HN PHE 69 8.424 3.610 -5.020 506 HA PHE 69 HA PHE 69 8.604 1.353 -3.110 507 HB2 PHE 69 HB2 PHE 69 8.572 4.153 -2.072 508 HB3 PHE 69 HB1 PHE 69 9.278 2.703 -1.366 509 HD1 PHE 69 HD2 PHE 69 11.025 1.744 -3.529 510 HD2 PHE 69 HD1 PHE 69 10.257 5.684 -2.152 511 HE1 PHE 69 HE2 PHE 69 13.231 2.453 -4.356 512 HE2 PHE 69 HE1 PHE 69 12.461 6.411 -2.973 513 HZ PHE 69 HZ PHE 69 13.950 4.791 -4.080 514 H THR 70 HN THR 70 6.609 0.630 -2.640 515 HA THR 70 HA THR 70 4.447 2.616 -2.539 516 HB THR 70 HB THR 70 3.806 0.027 -3.859 517 HG1 THR 70 HG1 THR 70 4.342 1.350 -5.885 518 HG21 THR 70 HG21 THR 70 2.801 2.861 -3.880 519 HG22 THR 70 HG22 THR 70 1.907 1.362 -3.605 520 HG23 THR 70 HG23 THR 70 2.432 1.792 -5.231 521 H LEU 71 HN LEU 71 2.883 2.297 -1.154 522 HA LEU 71 HA LEU 71 2.755 -0.278 0.267 523 HB2 LEU 71 HB2 LEU 71 2.458 2.512 1.330 524 HB3 LEU 71 HB1 LEU 71 1.816 1.124 2.180 525 HG LEU 71 HG LEU 71 4.613 2.005 1.829 526 HD11 LEU 71 HD11 LEU 71 3.574 2.444 3.913 527 HD12 LEU 71 HD12 LEU 71 4.709 1.118 4.166 528 HD13 LEU 71 HD13 LEU 71 2.985 0.788 4.037 529 HD21 LEU 71 HD21 LEU 71 5.367 -0.312 2.518 530 HD22 LEU 71 HD22 LEU 71 4.878 -0.125 0.836 531 HD23 LEU 71 HD23 LEU 71 3.783 -0.883 1.989 532 H LYS 72 HN LYS 72 0.705 -1.040 0.802 533 HA LYS 72 HA LYS 72 -1.490 0.365 -0.567 534 HB2 LYS 72 HB2 LYS 72 -1.037 -1.737 -1.661 535 HB3 LYS 72 HB1 LYS 72 -1.066 -2.587 -0.123 536 HG2 LYS 72 HG2 LYS 72 -3.537 -1.419 -0.172 537 HG3 LYS 72 HG1 LYS 72 -3.263 -1.803 -1.873 538 HD2 LYS 72 HD2 LYS 72 -4.351 -3.677 -0.830 539 HD3 LYS 72 HD1 LYS 72 -2.684 -4.127 -1.188 540 HE2 LYS 72 HE2 LYS 72 -2.061 -3.688 1.131 541 HE3 LYS 72 HE1 LYS 72 -3.717 -3.207 1.494 542 HZ1 LYS 72 HZ1 LYS 72 -4.375 -5.501 0.774 543 HZ2 LYS 72 HZ2 LYS 72 -3.477 -5.426 2.204 544 HZ3 LYS 72 HZ3 LYS 72 -2.732 -5.903 0.763 545 H ALA 73 HN ALA 73 -3.334 0.684 0.434 546 HA ALA 73 HA ALA 73 -3.468 -0.034 3.280 547 HB1 ALA 73 HB1 ALA 73 -3.245 2.422 2.465 548 HB2 ALA 73 HB2 ALA 73 -4.442 2.042 3.715 549 HB3 ALA 73 HB3 ALA 73 -4.949 2.259 2.037 550 H VAL 74 HN VAL 74 -5.465 -0.712 4.091 551 HA VAL 74 HA VAL 74 -7.515 -1.343 2.083 552 HB VAL 74 HB VAL 74 -6.276 -3.153 4.125 553 HG11 VAL 74 HG11 VAL 74 -8.102 -4.775 3.693 554 HG12 VAL 74 HG12 VAL 74 -8.970 -3.527 2.800 555 HG13 VAL 74 HG13 VAL 74 -8.675 -3.331 4.527 556 HG21 VAL 74 HG21 VAL 74 -5.853 -4.562 2.309 557 HG22 VAL 74 HG22 VAL 74 -5.530 -2.935 1.697 558 HG23 VAL 74 HG23 VAL 74 -7.044 -3.751 1.288 559 H ALA 75 HN ALA 75 -9.594 -1.077 2.699 560 HA ALA 75 HA ALA 75 -10.180 0.680 4.775 561 HB1 ALA 75 HB1 ALA 75 -11.954 -1.197 3.237 562 HB2 ALA 75 HB2 ALA 75 -11.655 0.521 2.929 563 HB3 ALA 75 HB3 ALA 75 -12.552 0.026 4.364 564 H LEU 76 HN LEU 76 -10.473 0.444 6.847 565 HA LEU 76 HA LEU 76 -10.110 -1.984 8.203 566 HB2 LEU 76 HB2 LEU 76 -11.391 0.568 9.191 567 HB3 LEU 76 HB1 LEU 76 -10.694 -0.699 10.194 568 HG LEU 76 HG LEU 76 -9.100 0.854 8.172 569 HD11 LEU 76 HD11 LEU 76 -9.498 1.433 11.098 570 HD12 LEU 76 HD12 LEU 76 -9.860 2.488 9.728 571 HD13 LEU 76 HD13 LEU 76 -8.184 2.099 10.124 572 HD21 LEU 76 HD21 LEU 76 -7.194 0.009 9.441 573 HD22 LEU 76 HD22 LEU 76 -8.191 -1.314 8.826 574 HD23 LEU 76 HD23 LEU 76 -8.289 -0.846 10.526 575 H ASP 77 HN ASP 77 -12.836 -0.168 7.097 576 HA ASP 77 HA ASP 77 -14.739 -2.162 8.087 577 HB2 ASP 77 HB2 ASP 77 -15.498 0.294 6.519 578 HB3 ASP 77 HB1 ASP 77 -16.458 -0.610 7.681 579 H ARG 78 HN ARG 78 -12.766 -2.634 5.926 580 HA ARG 78 HA ARG 78 -13.680 -2.481 3.378 581 HB2 ARG 78 HB2 ARG 78 -12.411 -4.557 2.944 582 HB3 ARG 78 HB1 ARG 78 -11.523 -3.279 3.750 583 HG2 ARG 78 HG2 ARG 78 -11.556 -4.414 5.803 584 HG3 ARG 78 HG1 ARG 78 -12.785 -5.559 5.237 585 HD2 ARG 78 HD2 ARG 78 -10.377 -5.361 3.607 586 HD3 ARG 78 HD1 ARG 78 -10.122 -6.037 5.224 587 HE ARG 78 HE ARG 78 -11.891 -7.685 4.619 588 HH11 ARG 78 HH11 ARG 78 -10.099 -6.054 2.115 589 HH12 ARG 78 HH12 ARG 78 -10.342 -7.308 0.946 590 HH21 ARG 78 HH21 ARG 78 -12.216 -9.340 3.086 591 HH22 ARG 78 HH22 ARG 78 -11.547 -9.175 1.497 592 H GLU 79 HN GLU 79 -14.845 -4.672 5.855 593 HA GLU 79 HA GLU 79 -16.141 -6.587 4.342 594 HB2 GLU 79 HB2 GLU 79 -17.431 -5.254 6.722 595 HB3 GLU 79 HB1 GLU 79 -17.604 -6.922 6.194 596 HG2 GLU 79 HG2 GLU 79 -15.308 -7.384 6.819 597 HG3 GLU 79 HG1 GLU 79 -15.085 -5.698 7.291 598 H ALA 80 HN ALA 80 -16.771 -3.287 4.816 599 HA ALA 80 HA ALA 80 -19.231 -3.333 3.243 600 HB1 ALA 80 HB1 ALA 80 -19.612 -2.280 5.316 601 HB2 ALA 80 HB2 ALA 80 -19.424 -0.960 4.161 602 HB3 ALA 80 HB3 ALA 80 -18.087 -1.392 5.235 603 H GLU 81 HN GLU 81 -15.918 -2.302 3.283 604 HA GLU 81 HA GLU 81 -16.316 -0.904 0.714 605 HB2 GLU 81 HB2 GLU 81 -14.056 -0.061 2.426 606 HB3 GLU 81 HB1 GLU 81 -15.079 0.886 1.355 607 HG2 GLU 81 HG2 GLU 81 -16.891 0.748 3.034 608 HG3 GLU 81 HG1 GLU 81 -15.773 -0.085 4.114 609 HA PRO 82 HA PRO 82 -13.312 -4.344 -0.076 610 HB2 PRO 82 HB2 PRO 82 -13.882 -4.420 -2.765 611 HB3 PRO 82 HB1 PRO 82 -14.753 -5.358 -1.546 612 HG2 PRO 82 HG2 PRO 82 -15.495 -2.748 -2.823 613 HG3 PRO 82 HG1 PRO 82 -16.521 -4.154 -2.472 614 HD2 PRO 82 HD2 PRO 82 -16.540 -1.975 -0.912 615 HD3 PRO 82 HD1 PRO 82 -16.706 -3.603 -0.224 616 H ARG 83 HN ARG 83 -13.728 -1.143 -1.239 617 HA ARG 83 HA ARG 83 -11.715 -0.919 -3.134 618 HB2 ARG 83 HB2 ARG 83 -13.048 1.014 -1.307 619 HB3 ARG 83 HB1 ARG 83 -11.602 1.532 -2.163 620 HG2 ARG 83 HG2 ARG 83 -12.737 0.742 -4.281 621 HG3 ARG 83 HG1 ARG 83 -14.210 0.605 -3.323 622 HD2 ARG 83 HD2 ARG 83 -14.084 2.964 -2.756 623 HD3 ARG 83 HD1 ARG 83 -12.573 3.112 -3.653 624 HE ARG 83 HE ARG 83 -14.797 2.142 -5.210 625 HH11 ARG 83 HH11 ARG 83 -13.045 4.945 -4.106 626 HH12 ARG 83 HH12 ARG 83 -13.594 5.958 -5.398 627 HH21 ARG 83 HH21 ARG 83 -15.523 3.471 -6.918 628 HH22 ARG 83 HH22 ARG 83 -15.003 5.121 -6.996 629 H VAL 84 HN VAL 84 -9.620 -0.453 -3.138 630 HA VAL 84 HA VAL 84 -8.157 -0.394 -0.582 631 HB VAL 84 HB VAL 84 -6.601 -1.636 -2.679 632 HG11 VAL 84 HG11 VAL 84 -7.069 -1.852 0.119 633 HG12 VAL 84 HG12 VAL 84 -5.705 -2.434 -0.836 634 HG13 VAL 84 HG13 VAL 84 -7.131 -3.455 -0.620 635 HG21 VAL 84 HG21 VAL 84 -7.776 -3.646 -3.073 636 HG22 VAL 84 HG22 VAL 84 -8.938 -2.351 -3.378 637 HG23 VAL 84 HG23 VAL 84 -8.994 -3.252 -1.859 638 H LEU 85 HN LEU 85 -5.939 0.607 -0.827 639 HA LEU 85 HA LEU 85 -5.703 2.251 -3.250 640 HB2 LEU 85 HB2 LEU 85 -6.807 3.537 -1.381 641 HB3 LEU 85 HB1 LEU 85 -5.298 3.413 -0.504 642 HG LEU 85 HG LEU 85 -4.235 4.543 -2.555 643 HD11 LEU 85 HD11 LEU 85 -5.939 4.371 -4.190 644 HD12 LEU 85 HD12 LEU 85 -5.858 6.075 -3.732 645 HD13 LEU 85 HD13 LEU 85 -7.157 5.056 -3.099 646 HD21 LEU 85 HD21 LEU 85 -5.092 6.814 -1.742 647 HD22 LEU 85 HD22 LEU 85 -4.285 5.770 -0.575 648 HD23 LEU 85 HD23 LEU 85 -6.046 5.892 -0.577 649 H ARG 86 HN ARG 86 -3.614 3.270 -3.492 650 HA ARG 86 HA ARG 86 -1.392 2.207 -1.956 651 HB2 ARG 86 HB2 ARG 86 -0.715 0.671 -3.444 652 HB3 ARG 86 HB1 ARG 86 -2.153 0.967 -4.384 653 HG2 ARG 86 HG2 ARG 86 -1.026 2.604 -5.714 654 HG3 ARG 86 HG1 ARG 86 0.402 2.510 -4.685 655 HD2 ARG 86 HD2 ARG 86 0.701 0.160 -5.329 656 HD3 ARG 86 HD1 ARG 86 -0.715 0.271 -6.371 657 HE ARG 86 HE ARG 86 1.198 2.256 -7.040 658 HH11 ARG 86 HH11 ARG 86 0.530 -1.149 -7.345 659 HH12 ARG 86 HH12 ARG 86 1.452 -1.331 -8.801 660 HH21 ARG 86 HH21 ARG 86 2.411 2.027 -8.956 661 HH22 ARG 86 HH22 ARG 86 2.520 0.476 -9.717 662 H LEU 87 HN LEU 87 0.490 3.479 -2.166 663 HA LEU 87 HA LEU 87 0.480 5.664 -4.075 664 HB2 LEU 87 HB2 LEU 87 -0.778 6.446 -2.028 665 HB3 LEU 87 HB1 LEU 87 0.707 6.238 -1.131 666 HG LEU 87 HG LEU 87 1.763 8.046 -2.146 667 HD11 LEU 87 HD11 LEU 87 1.551 7.841 -4.420 668 HD12 LEU 87 HD12 LEU 87 0.453 9.191 -4.125 669 HD13 LEU 87 HD13 LEU 87 -0.187 7.561 -4.342 670 HD21 LEU 87 HD21 LEU 87 -1.146 8.825 -2.030 671 HD22 LEU 87 HD22 LEU 87 0.246 9.893 -1.853 672 HD23 LEU 87 HD23 LEU 87 -0.087 8.665 -0.629 673 H ASN 88 HN ASN 88 2.461 5.946 -4.849 674 HA ASN 88 HA ASN 88 4.674 4.619 -3.466 675 HB2 ASN 88 HB2 ASN 88 4.134 4.241 -5.951 676 HB3 ASN 88 HB1 ASN 88 4.787 5.846 -6.222 677 HD21 ASN 88 HD21 ASN 88 5.491 2.632 -6.155 678 HD22 ASN 88 HD22 ASN 88 7.212 2.731 -6.061 679 H GLU 89 HN GLU 89 6.884 5.767 -3.796 680 HA GLU 89 HA GLU 89 6.946 8.159 -2.350 681 HB2 GLU 89 HB2 GLU 89 9.271 8.159 -2.720 682 HB3 GLU 89 HB1 GLU 89 8.815 6.461 -2.746 683 HG2 GLU 89 HG2 GLU 89 10.147 6.494 -4.575 684 HG3 GLU 89 HG1 GLU 89 8.622 6.931 -5.342 685 H SER 90 HN SER 90 6.436 7.531 -5.683 686 HA SER 90 HA SER 90 7.104 10.199 -6.593 687 HB2 SER 90 HB2 SER 90 7.477 8.248 -8.076 688 HB3 SER 90 HB1 SER 90 5.745 7.919 -8.060 689 HG SER 90 HG SER 90 5.485 9.403 -9.517 690 H LEU 91 HN LEU 91 4.884 9.202 -4.684 691 HA LEU 91 HA LEU 91 2.828 9.807 -4.053 692 HB2 LEU 91 HB2 LEU 91 3.749 12.158 -5.614 693 HB3 LEU 91 HB1 LEU 91 2.180 12.153 -4.828 694 HG LEU 91 HG LEU 91 4.536 12.960 -3.697 695 HD11 LEU 91 HD11 LEU 91 3.288 13.107 -1.631 696 HD12 LEU 91 HD12 LEU 91 2.102 11.957 -2.248 697 HD13 LEU 91 HD13 LEU 91 2.262 13.547 -2.996 698 HD21 LEU 91 HD21 LEU 91 5.184 11.423 -1.985 699 HD22 LEU 91 HD22 LEU 91 5.279 10.587 -3.535 700 HD23 LEU 91 HD23 LEU 91 3.915 10.292 -2.457 701 H THR 92 HN THR 92 3.068 8.193 -6.440 702 HA THR 92 HA THR 92 0.689 8.975 -7.971 703 HB THR 92 HB THR 92 2.739 6.806 -8.452 704 HG1 THR 92 HG1 THR 92 3.587 8.721 -9.118 705 HG21 THR 92 HG21 THR 92 0.557 6.036 -9.208 706 HG22 THR 92 HG22 THR 92 1.573 6.428 -10.596 707 HG23 THR 92 HG23 THR 92 0.308 7.545 -10.086 708 H ALA 93 HN ALA 93 -1.190 8.226 -7.179 709 HA ALA 93 HA ALA 93 -1.134 5.718 -5.643 710 HB1 ALA 93 HB1 ALA 93 -1.933 7.785 -4.479 711 HB2 ALA 93 HB2 ALA 93 -3.074 6.439 -4.488 712 HB3 ALA 93 HB3 ALA 93 -3.303 7.791 -5.594 713 H VAL 94 HN VAL 94 -2.720 4.224 -5.820 714 HA VAL 94 HA VAL 94 -4.627 4.453 -8.005 715 HB VAL 94 HB VAL 94 -2.680 3.290 -9.014 716 HG11 VAL 94 HG11 VAL 94 -1.548 1.682 -7.969 717 HG12 VAL 94 HG12 VAL 94 -3.020 0.759 -7.669 718 HG13 VAL 94 HG13 VAL 94 -2.520 2.014 -6.535 719 HG21 VAL 94 HG21 VAL 94 -3.964 1.235 -9.752 720 HG22 VAL 94 HG22 VAL 94 -4.808 2.772 -9.943 721 HG23 VAL 94 HG23 VAL 94 -5.213 1.705 -8.596 722 H VAL 95 HN VAL 95 -6.478 3.710 -7.549 723 HA VAL 95 HA VAL 95 -6.868 2.301 -5.022 724 HB VAL 95 HB VAL 95 -8.018 4.376 -5.099 725 HG11 VAL 95 HG11 VAL 95 -9.462 5.028 -6.936 726 HG12 VAL 95 HG12 VAL 95 -9.174 3.487 -7.745 727 HG13 VAL 95 HG13 VAL 95 -7.844 4.644 -7.549 728 HG21 VAL 95 HG21 VAL 95 -10.048 2.260 -5.808 729 HG22 VAL 95 HG22 VAL 95 -10.328 3.726 -4.869 730 HG23 VAL 95 HG23 VAL 95 -9.307 2.442 -4.218 731 H CYS 96 HN CYS 96 -8.220 0.547 -4.882 732 HA CYS 96 HA CYS 96 -8.974 -0.738 -7.409 733 HB2 CYS 96 HB2 CYS 96 -7.766 -1.894 -4.909 734 HB3 CYS 96 HB1 CYS 96 -8.753 -2.894 -5.966 735 H GLY 97 HN GLY 97 -10.862 -2.043 -7.334 736 HA2 GLY 97 HA2 GLY 97 -12.771 -1.046 -5.333 737 HA3 GLY 97 HA1 GLY 97 -13.196 -1.576 -6.956 738 H LYS 98 HN LYS 98 -10.905 -3.617 -5.991 739 HA LYS 98 HA LYS 98 -12.536 -5.385 -4.377 740 HB2 LYS 98 HB2 LYS 98 -12.827 -5.659 -7.036 741 HB3 LYS 98 HB1 LYS 98 -11.386 -6.622 -6.816 742 HG2 LYS 98 HG2 LYS 98 -14.054 -7.026 -5.497 743 HG3 LYS 98 HG1 LYS 98 -13.298 -8.048 -6.727 744 HD2 LYS 98 HD2 LYS 98 -12.528 -9.272 -5.008 745 HD3 LYS 98 HD1 LYS 98 -11.401 -7.945 -4.716 746 HE2 LYS 98 HE2 LYS 98 -12.456 -8.360 -2.650 747 HE3 LYS 98 HE1 LYS 98 -13.205 -6.898 -3.295 748 HZ1 LYS 98 HZ1 LYS 98 -14.888 -8.348 -2.425 749 HZ2 LYS 98 HZ2 LYS 98 -14.339 -9.642 -3.365 750 HZ3 LYS 98 HZ3 LYS 98 -15.041 -8.295 -4.110 751 H MET 99 HN MET 99 -11.265 -6.362 -2.935 752 HA MET 99 HA MET 99 -8.430 -6.721 -3.625 753 HB2 MET 99 HB2 MET 99 -9.217 -5.031 -1.714 754 HB3 MET 99 HB1 MET 99 -9.219 -6.502 -0.770 755 HG2 MET 99 HG2 MET 99 -6.834 -6.558 -2.189 756 HG3 MET 99 HG1 MET 99 -7.006 -4.891 -1.639 757 HE1 MET 99 HE1 MET 99 -7.340 -8.511 1.123 758 HE2 MET 99 HE2 MET 99 -7.031 -8.624 -0.614 759 HE3 MET 99 HE3 MET 99 -8.558 -7.957 -0.035 760 H LYS 100 HN LYS 100 -8.176 -8.775 -4.070 761 HA LYS 100 HA LYS 100 -9.749 -10.790 -2.650 762 HB2 LYS 100 HB2 LYS 100 -7.834 -11.257 -4.929 763 HB3 LYS 100 HB1 LYS 100 -9.137 -12.303 -4.381 764 HG2 LYS 100 HG2 LYS 100 -10.790 -10.798 -5.210 765 HG3 LYS 100 HG1 LYS 100 -9.568 -9.573 -5.564 766 HD2 LYS 100 HD2 LYS 100 -8.545 -11.111 -7.199 767 HD3 LYS 100 HD1 LYS 100 -9.833 -12.276 -6.878 768 HE2 LYS 100 HE2 LYS 100 -11.489 -10.604 -7.614 769 HE3 LYS 100 HE1 LYS 100 -10.174 -9.496 -7.997 770 HZ1 LYS 100 HZ1 LYS 100 -9.336 -11.167 -9.578 771 HZ2 LYS 100 HZ2 LYS 100 -10.881 -10.610 -9.980 772 HZ3 LYS 100 HZ3 LYS 100 -10.691 -12.131 -9.264 773 H GLY 101 HN GLY 101 -6.391 -10.674 -3.814 774 HA2 GLY 101 HA2 GLY 101 -5.529 -12.450 -1.706 775 HA3 GLY 101 HA1 GLY 101 -4.519 -11.753 -2.967 776 H LYS 102 HN LYS 102 -3.061 -10.357 -2.300 777 HA LYS 102 HA LYS 102 -1.863 -9.064 -0.819 778 HB2 LYS 102 HB2 LYS 102 -4.525 -7.745 -0.986 779 HB3 LYS 102 HB1 LYS 102 -3.137 -6.970 -0.262 780 HG2 LYS 102 HG2 LYS 102 -2.366 -6.361 -2.253 781 HG3 LYS 102 HG1 LYS 102 -2.514 -8.004 -2.877 782 HD2 LYS 102 HD2 LYS 102 -4.875 -6.167 -2.598 783 HD3 LYS 102 HD1 LYS 102 -3.872 -6.206 -4.052 784 HE2 LYS 102 HE2 LYS 102 -4.523 -8.356 -4.600 785 HE3 LYS 102 HE1 LYS 102 -4.979 -8.750 -2.944 786 HZ1 LYS 102 HZ1 LYS 102 -6.992 -7.711 -3.156 787 HZ2 LYS 102 HZ2 LYS 102 -6.792 -8.307 -4.724 788 HZ3 LYS 102 HZ3 LYS 102 -6.476 -6.681 -4.392 789 H GLY 103 HN GLY 103 -3.661 -7.444 1.162 790 HA2 GLY 103 HA2 GLY 103 -4.124 -9.527 3.177 791 HA3 GLY 103 HA1 GLY 103 -3.080 -8.164 3.573 792 H SER 104 HN SER 104 -5.708 -8.972 4.723 793 HA SER 104 HA SER 104 -7.214 -6.535 4.043 794 HB2 SER 104 HB2 SER 104 -8.310 -9.103 5.141 795 HB3 SER 104 HB1 SER 104 -9.241 -7.687 4.681 796 HG SER 104 HG SER 104 -8.724 -8.045 2.558 797 H CYS 105 HN CYS 105 -7.859 -5.180 5.620 798 HA CYS 105 HA CYS 105 -6.593 -5.361 8.171 799 HB2 CYS 105 HB2 CYS 105 -8.824 -3.479 7.382 800 HB3 CYS 105 HB1 CYS 105 -7.641 -3.263 8.664 801 H THR 106 HN THR 106 -7.904 -5.123 10.232 802 HA THR 106 HA THR 106 -9.142 -6.346 11.727 803 HB THR 106 HB THR 106 -10.712 -4.543 10.995 804 HG1 THR 106 HG1 THR 106 -12.199 -6.894 11.503 805 HG21 THR 106 HG21 THR 106 -12.626 -5.187 9.561 806 HG22 THR 106 HG22 THR 106 -11.808 -6.704 9.192 807 HG23 THR 106 HG23 THR 106 -11.095 -5.171 8.687 808 H ASP 107 HN ASP 107 -7.951 -7.843 9.531 809 HA ASP 107 HA ASP 107 -9.475 -10.290 9.825 810 HB2 ASP 107 HB2 ASP 107 -9.103 -8.858 7.219 811 HB3 ASP 107 HB1 ASP 107 -9.072 -10.623 7.233 812 H GLY 108 HN GLY 108 -6.578 -8.602 8.778 813 HA2 GLY 108 HA2 GLY 108 -4.586 -9.832 9.873 814 HA3 GLY 108 HA1 GLY 108 -5.088 -11.140 8.815 815 H GLU 109 HN GLU 109 -4.653 -7.616 8.361 816 HA GLU 109 HA GLU 109 -3.697 -7.833 5.747 817 HB2 GLU 109 HB2 GLU 109 -4.161 -5.768 7.637 818 HB3 GLU 109 HB1 GLU 109 -2.585 -5.508 6.902 819 HG2 GLU 109 HG2 GLU 109 -4.940 -6.119 5.191 820 HG3 GLU 109 HG1 GLU 109 -4.725 -4.495 5.832 821 H GLU 110 HN GLU 110 -1.776 -8.382 4.926 822 HA GLU 110 HA GLU 110 0.555 -8.351 6.699 823 HB2 GLU 110 HB2 GLU 110 -0.280 -10.643 6.233 824 HB3 GLU 110 HB1 GLU 110 -0.008 -10.328 4.528 825 HG2 GLU 110 HG2 GLU 110 1.853 -11.531 5.202 826 HG3 GLU 110 HG1 GLU 110 2.385 -9.853 5.131 827 H ILE 111 HN ILE 111 -0.336 -8.603 3.253 828 HA ILE 111 HA ILE 111 1.476 -6.426 2.635 829 HB ILE 111 HB ILE 111 2.607 -7.765 0.849 830 HG12 ILE 111 HG12 ILE 111 2.718 -10.287 1.544 831 HG13 ILE 111 HG11 ILE 111 1.152 -9.969 2.277 832 HG21 ILE 111 HG21 ILE 111 4.331 -8.461 2.286 833 HG22 ILE 111 HG22 ILE 111 3.198 -8.797 3.602 834 HG23 ILE 111 HG23 ILE 111 3.530 -7.125 3.128 835 HD11 ILE 111 HD11 ILE 111 1.935 -9.981 -0.595 836 HD12 ILE 111 HD12 ILE 111 0.542 -9.048 -0.055 837 HD13 ILE 111 HD13 ILE 111 0.593 -10.787 0.214 838 H PHE 112 HN PHE 112 1.615 -6.170 0.153 839 HA PHE 112 HA PHE 112 -1.117 -6.332 -0.928 840 HB2 PHE 112 HB2 PHE 112 -0.702 -4.071 -0.737 841 HB3 PHE 112 HB1 PHE 112 1.019 -4.245 -1.025 842 HD1 PHE 112 HD2 PHE 112 -2.185 -4.773 -2.897 843 HD2 PHE 112 HD1 PHE 112 1.823 -3.343 -2.954 844 HE1 PHE 112 HE2 PHE 112 -2.489 -4.022 -5.221 845 HE2 PHE 112 HE1 PHE 112 1.530 -2.583 -5.278 846 HZ PHE 112 HZ PHE 112 -0.633 -2.926 -6.414 847 H ARG 113 HN ARG 113 -0.651 -8.486 -1.781 848 HA ARG 113 HA ARG 113 1.311 -8.502 -3.944 849 HB2 ARG 113 HB2 ARG 113 1.026 -10.971 -3.904 850 HB3 ARG 113 HB1 ARG 113 1.608 -10.302 -2.391 851 HG2 ARG 113 HG2 ARG 113 -0.491 -10.574 -1.355 852 HG3 ARG 113 HG1 ARG 113 -1.278 -10.943 -2.895 853 HD2 ARG 113 HD2 ARG 113 0.791 -12.612 -1.486 854 HD3 ARG 113 HD1 ARG 113 -0.930 -12.969 -1.612 855 HE ARG 113 HE ARG 113 0.236 -12.673 -4.180 856 HH11 ARG 113 HH11 ARG 113 -0.014 -14.889 -1.503 857 HH12 ARG 113 HH12 ARG 113 0.243 -16.296 -2.477 858 HH21 ARG 113 HH21 ARG 113 0.576 -14.520 -5.470 859 HH22 ARG 113 HH22 ARG 113 0.578 -16.087 -4.733 860 H GLY 114 HN GLY 114 0.744 -8.323 -5.941 861 HA2 GLY 114 HA2 GLY 114 -1.501 -7.504 -7.056 862 HA3 GLY 114 HA1 GLY 114 -0.439 -8.600 -7.910 863 H ASN 115 HN ASN 115 -3.475 -8.160 -6.397 864 HA ASN 115 HA ASN 115 -4.605 -10.391 -7.759 865 HB2 ASN 115 HB2 ASN 115 -4.085 -10.586 -4.835 866 HB3 ASN 115 HB1 ASN 115 -5.558 -11.290 -5.486 867 HD21 ASN 115 HD21 ASN 115 -4.406 -12.028 -8.012 868 HD22 ASN 115 HD22 ASN 115 -3.361 -13.371 -7.713 869 H ASP 116 HN ASP 116 -4.920 -7.460 -7.371 870 HA ASP 116 HA ASP 116 -7.565 -7.274 -6.142 871 HB2 ASP 116 HB2 ASP 116 -7.092 -4.748 -6.859 872 HB3 ASP 116 HB1 ASP 116 -6.453 -5.427 -5.368 873 H ALA 117 HN ALA 117 -9.232 -6.015 -7.218 874 HA ALA 117 HA ALA 117 -9.145 -6.125 -10.155 875 HB1 ALA 117 HB1 ALA 117 -10.352 -8.117 -9.167 876 HB2 ALA 117 HB2 ALA 117 -11.287 -7.134 -10.293 877 HB3 ALA 117 HB3 ALA 117 -11.557 -6.976 -8.552 878 H GLU 118 HN GLU 118 -10.943 -4.895 -11.138 879 HA GLU 118 HA GLU 118 -11.917 -2.861 -11.478 880 HB2 GLU 118 HB2 GLU 118 -12.752 -3.456 -8.632 881 HB3 GLU 118 HB1 GLU 118 -13.461 -2.181 -9.625 882 HG2 GLU 118 HG2 GLU 118 -13.522 -5.134 -10.205 883 HG3 GLU 118 HG1 GLU 118 -14.861 -4.164 -9.595 884 H CYS 119 HN CYS 119 -9.412 -2.196 -11.293 885 HA CYS 119 HA CYS 119 -9.274 -0.130 -9.181 886 HB2 CYS 119 HB2 CYS 119 -6.816 -1.232 -10.492 887 HB3 CYS 119 HB1 CYS 119 -6.979 -0.426 -8.943 888 H ARG 120 HN ARG 120 -8.486 1.846 -9.610 889 HA ARG 120 HA ARG 120 -7.762 2.587 -12.333 890 HB2 ARG 120 HB2 ARG 120 -9.373 4.236 -12.492 891 HB3 ARG 120 HB1 ARG 120 -10.253 2.931 -11.716 892 HG2 ARG 120 HG2 ARG 120 -10.824 4.350 -10.134 893 HG3 ARG 120 HG1 ARG 120 -9.133 4.383 -9.638 894 HD2 ARG 120 HD2 ARG 120 -9.737 6.634 -9.992 895 HD3 ARG 120 HD1 ARG 120 -8.775 6.147 -11.389 896 HE ARG 120 HE ARG 120 -11.265 5.689 -12.255 897 HH11 ARG 120 HH11 ARG 120 -9.852 8.449 -10.661 898 HH12 ARG 120 HH12 ARG 120 -10.904 9.590 -11.428 899 HH21 ARG 120 HH21 ARG 120 -12.654 7.184 -13.266 900 HH22 ARG 120 HH22 ARG 120 -12.498 8.872 -12.908 901 HA PRO 121 HA PRO 121 -4.738 5.104 -10.308 902 HB2 PRO 121 HB2 PRO 121 -4.549 7.280 -11.855 903 HB3 PRO 121 HB1 PRO 121 -4.033 5.684 -12.426 904 HG2 PRO 121 HG2 PRO 121 -6.638 7.086 -12.899 905 HG3 PRO 121 HG1 PRO 121 -5.564 6.318 -14.082 906 HD2 PRO 121 HD2 PRO 121 -7.716 5.035 -13.126 907 HD3 PRO 121 HD1 PRO 121 -6.195 4.176 -13.445 908 H PHE 122 HN PHE 122 -4.907 6.209 -8.466 909 HA PHE 122 HA PHE 122 -7.061 8.189 -8.203 910 HB2 PHE 122 HB2 PHE 122 -6.429 5.968 -6.625 911 HB3 PHE 122 HB1 PHE 122 -5.863 7.347 -5.703 912 HD1 PHE 122 HD2 PHE 122 -8.797 7.499 -7.948 913 HD2 PHE 122 HD1 PHE 122 -7.402 7.169 -3.947 914 HE1 PHE 122 HE2 PHE 122 -11.075 7.930 -7.123 915 HE2 PHE 122 HE1 PHE 122 -9.672 7.582 -3.111 916 HZ PHE 122 HZ PHE 122 -11.517 7.974 -4.700 917 H THR 123 HN THR 123 -6.658 10.198 -7.371 918 HA THR 123 HA THR 123 -3.851 10.844 -6.768 919 HB THR 123 HB THR 123 -4.180 13.049 -7.845 920 HG1 THR 123 HG1 THR 123 -6.245 12.425 -9.434 921 HG21 THR 123 HG21 THR 123 -3.106 11.221 -9.054 922 HG22 THR 123 HG22 THR 123 -4.021 12.263 -10.143 923 HG23 THR 123 HG23 THR 123 -4.676 10.698 -9.662 924 H GLY 124 HN GLY 124 -3.880 11.169 -4.646 925 HA2 GLY 124 HA2 GLY 124 -6.059 12.133 -3.150 926 HA3 GLY 124 HA1 GLY 124 -4.396 12.041 -2.597 Start of MODEL 15 1 H1 HIS 6 HT1 HIS 6 -23.089 4.146 -3.887 2 H2 HIS 6 HT2 HIS 6 -22.138 3.613 -5.181 3 H3 HIS 6 HT3 HIS 6 -22.773 5.180 -5.190 4 HA HIS 6 HA HIS 6 -20.438 5.223 -4.648 5 HB2 HIS 6 HB2 HIS 6 -20.609 6.479 -2.521 6 HB3 HIS 6 HB1 HIS 6 -21.855 6.942 -3.674 7 HD1 HIS 6 HD1 HIS 6 -21.363 5.572 -0.290 8 HD2 HIS 6 HD2 HIS 6 -24.483 5.999 -3.001 9 HE1 HIS 6 HE1 HIS 6 -23.465 5.191 1.036 10 HE2 HIS 6 HE2 HIS 6 -25.335 5.377 -0.641 11 H ARG 7 HN ARG 7 -18.701 4.511 -3.445 12 HA ARG 7 HA ARG 7 -19.053 2.655 -1.262 13 HB2 ARG 7 HB2 ARG 7 -19.197 1.444 -3.609 14 HB3 ARG 7 HB1 ARG 7 -17.444 1.563 -3.512 15 HG2 ARG 7 HG2 ARG 7 -18.763 0.570 -1.083 16 HG3 ARG 7 HG1 ARG 7 -18.888 -0.476 -2.499 17 HD2 ARG 7 HD2 ARG 7 -16.324 0.658 -1.402 18 HD3 ARG 7 HD1 ARG 7 -16.909 -0.962 -1.096 19 HE ARG 7 HE ARG 7 -15.480 -0.152 -3.355 20 HH11 ARG 7 HH11 ARG 7 -18.287 -2.050 -2.538 21 HH12 ARG 7 HH12 ARG 7 -18.187 -3.040 -3.956 22 HH21 ARG 7 HH21 ARG 7 -15.342 -1.451 -5.220 23 HH22 ARG 7 HH22 ARG 7 -16.514 -2.700 -5.477 24 H SER 8 HN SER 8 -17.828 5.237 -1.585 25 HA SER 8 HA SER 8 -15.015 4.977 -1.807 26 HB2 SER 8 HB2 SER 8 -14.929 7.199 -0.694 27 HB3 SER 8 HB1 SER 8 -16.095 7.170 -2.015 28 HG SER 8 HG SER 8 -16.494 7.616 0.634 29 H ALA 9 HN ALA 9 -14.113 3.453 -0.613 30 HA ALA 9 HA ALA 9 -14.907 2.647 1.950 31 HB1 ALA 9 HB1 ALA 9 -12.326 2.299 0.467 32 HB2 ALA 9 HB2 ALA 9 -13.693 1.175 0.521 33 HB3 ALA 9 HB3 ALA 9 -12.724 1.466 1.970 34 H ASN 10 HN ASN 10 -13.432 5.413 1.044 35 HA ASN 10 HA ASN 10 -12.822 7.216 2.362 36 HB2 ASN 10 HB2 ASN 10 -13.766 5.948 4.370 37 HB3 ASN 10 HB1 ASN 10 -12.137 5.324 4.616 38 HD21 ASN 10 HD21 ASN 10 -13.738 7.007 6.348 39 HD22 ASN 10 HD22 ASN 10 -12.830 8.456 6.601 40 H LEU 11 HN LEU 11 -11.339 5.836 0.514 41 HA LEU 11 HA LEU 11 -8.770 5.026 1.135 42 HB2 LEU 11 HB2 LEU 11 -9.531 6.743 -1.218 43 HB3 LEU 11 HB1 LEU 11 -8.206 5.612 -1.116 44 HG LEU 11 HG LEU 11 -10.888 4.485 -0.695 45 HD11 LEU 11 HD11 LEU 11 -9.985 5.245 -3.455 46 HD12 LEU 11 HD12 LEU 11 -11.181 6.157 -2.528 47 HD13 LEU 11 HD13 LEU 11 -11.509 4.483 -2.985 48 HD21 LEU 11 HD21 LEU 11 -8.689 3.235 -0.778 49 HD22 LEU 11 HD22 LEU 11 -8.686 3.565 -2.511 50 HD23 LEU 11 HD23 LEU 11 -9.987 2.612 -1.795 51 H ARG 12 HN ARG 12 -10.170 8.145 1.137 52 HA ARG 12 HA ARG 12 -8.059 9.851 0.720 53 HB2 ARG 12 HB2 ARG 12 -9.894 10.674 2.874 54 HB3 ARG 12 HB1 ARG 12 -9.470 11.493 1.379 55 HG2 ARG 12 HG2 ARG 12 -11.498 9.305 1.759 56 HG3 ARG 12 HG1 ARG 12 -11.790 10.981 1.296 57 HD2 ARG 12 HD2 ARG 12 -10.213 9.006 -0.360 58 HD3 ARG 12 HD1 ARG 12 -11.931 9.336 -0.588 59 HE ARG 12 HE ARG 12 -10.084 11.595 -0.729 60 HH11 ARG 12 HH11 ARG 12 -12.134 9.307 -2.373 61 HH12 ARG 12 HH12 ARG 12 -12.185 10.215 -3.847 62 HH21 ARG 12 HH21 ARG 12 -10.145 12.798 -2.666 63 HH22 ARG 12 HH22 ARG 12 -11.054 12.199 -4.014 64 H ALA 13 HN ALA 13 -8.998 8.280 3.749 65 HA ALA 13 HA ALA 13 -7.074 9.543 5.379 66 HB1 ALA 13 HB1 ALA 13 -7.381 7.654 6.903 67 HB2 ALA 13 HB2 ALA 13 -8.248 6.780 5.640 68 HB3 ALA 13 HB3 ALA 13 -8.930 8.261 6.317 69 H ALA 14 HN ALA 14 -7.041 6.698 3.385 70 HA ALA 14 HA ALA 14 -4.439 5.818 4.111 71 HB1 ALA 14 HB1 ALA 14 -6.615 4.973 2.426 72 HB2 ALA 14 HB2 ALA 14 -5.320 4.017 3.151 73 HB3 ALA 14 HB3 ALA 14 -5.072 4.799 1.579 74 H HIS 15 HN HIS 15 -5.753 7.789 1.516 75 HA HIS 15 HA HIS 15 -3.636 7.968 -0.194 76 HB2 HIS 15 HB2 HIS 15 -5.984 9.536 0.469 77 HB3 HIS 15 HB1 HIS 15 -4.638 10.579 0.040 78 HD1 HIS 15 HD1 HIS 15 -3.366 9.548 -2.285 79 HD2 HIS 15 HD2 HIS 15 -7.428 8.895 -1.707 80 HE1 HIS 15 HE1 HIS 15 -4.304 9.059 -4.557 81 HE2 HIS 15 HE2 HIS 15 -6.779 8.948 -4.209 82 H ALA 16 HN ALA 16 -4.110 9.383 2.958 83 HA ALA 16 HA ALA 16 -1.723 11.012 2.804 84 HB1 ALA 16 HB1 ALA 16 -2.271 11.652 5.112 85 HB2 ALA 16 HB2 ALA 16 -3.610 10.505 5.101 86 HB3 ALA 16 HB3 ALA 16 -3.632 11.895 4.016 87 H ALA 17 HN ALA 17 -2.690 7.889 3.979 88 HA ALA 17 HA ALA 17 -0.445 7.509 5.716 89 HB1 ALA 17 HB1 ALA 17 -1.129 5.142 5.724 90 HB2 ALA 17 HB2 ALA 17 -2.373 5.536 4.526 91 HB3 ALA 17 HB3 ALA 17 -2.438 6.253 6.136 92 H LEU 18 HN LEU 18 -1.327 5.965 2.598 93 HA LEU 18 HA LEU 18 1.174 4.818 2.098 94 HB2 LEU 18 HB2 LEU 18 -0.835 5.882 0.101 95 HB3 LEU 18 HB1 LEU 18 0.500 4.821 -0.295 96 HG LEU 18 HG LEU 18 -1.037 3.201 -0.153 97 HD11 LEU 18 HD11 LEU 18 0.267 2.791 1.875 98 HD12 LEU 18 HD12 LEU 18 -1.401 2.232 2.024 99 HD13 LEU 18 HD13 LEU 18 -0.901 3.734 2.801 100 HD21 LEU 18 HD21 LEU 18 -2.787 4.765 1.694 101 HD22 LEU 18 HD22 LEU 18 -3.233 3.535 0.507 102 HD23 LEU 18 HD23 LEU 18 -2.690 5.131 -0.032 103 H LEU 19 HN LEU 19 0.019 8.033 1.898 104 HA LEU 19 HA LEU 19 2.206 9.101 0.357 105 HB2 LEU 19 HB2 LEU 19 0.225 10.379 0.274 106 HB3 LEU 19 HB1 LEU 19 -0.042 10.248 1.996 107 HG LEU 19 HG LEU 19 0.672 12.519 0.979 108 HD11 LEU 19 HD11 LEU 19 0.458 12.004 3.374 109 HD12 LEU 19 HD12 LEU 19 1.780 13.122 3.035 110 HD13 LEU 19 HD13 LEU 19 2.125 11.426 3.375 111 HD21 LEU 19 HD21 LEU 19 3.424 11.447 1.419 112 HD22 LEU 19 HD22 LEU 19 2.920 12.916 0.579 113 HD23 LEU 19 HD23 LEU 19 2.661 11.336 -0.165 114 H GLU 20 HN GLU 20 1.186 8.946 3.701 115 HA GLU 20 HA GLU 20 3.298 10.183 4.994 116 HB2 GLU 20 HB2 GLU 20 1.172 9.443 6.057 117 HB3 GLU 20 HB1 GLU 20 1.725 7.783 5.931 118 HG2 GLU 20 HG2 GLU 20 3.527 9.643 7.317 119 HG3 GLU 20 HG1 GLU 20 1.995 9.286 8.115 120 H ASN 21 HN ASN 21 2.982 7.092 3.514 121 HA ASN 21 HA ASN 21 5.465 6.037 4.548 122 HB2 ASN 21 HB2 ASN 21 4.070 4.253 4.131 123 HB3 ASN 21 HB1 ASN 21 3.273 5.048 2.780 124 HD21 ASN 21 HD21 ASN 21 4.211 4.975 0.740 125 HD22 ASN 21 HD22 ASN 21 5.437 3.825 0.342 126 H ALA 22 HN ALA 22 4.114 7.139 1.486 127 HA ALA 22 HA ALA 22 6.224 6.845 -0.222 128 HB1 ALA 22 HB1 ALA 22 5.286 8.634 -1.544 129 HB2 ALA 22 HB2 ALA 22 4.417 9.256 -0.140 130 HB3 ALA 22 HB3 ALA 22 3.974 7.694 -0.830 131 H ARG 23 HN ARG 23 5.831 9.360 2.208 132 HA ARG 23 HA ARG 23 8.128 10.847 1.303 133 HB2 ARG 23 HB2 ARG 23 7.843 12.080 3.454 134 HB3 ARG 23 HB1 ARG 23 6.387 12.048 2.466 135 HG2 ARG 23 HG2 ARG 23 5.445 10.308 3.865 136 HG3 ARG 23 HG1 ARG 23 6.929 10.249 4.818 137 HD2 ARG 23 HD2 ARG 23 5.178 12.684 4.535 138 HD3 ARG 23 HD1 ARG 23 5.091 11.544 5.877 139 HE ARG 23 HE ARG 23 7.696 12.286 5.850 140 HH11 ARG 23 HH11 ARG 23 4.697 14.060 5.908 141 HH12 ARG 23 HH12 ARG 23 5.351 15.387 6.810 142 HH21 ARG 23 HH21 ARG 23 8.563 14.027 7.039 143 HH22 ARG 23 HH22 ARG 23 7.548 15.368 7.452 144 H PHE 24 HN PHE 24 7.387 8.604 3.933 145 HA PHE 24 HA PHE 24 9.958 8.601 5.084 146 HB2 PHE 24 HB2 PHE 24 7.477 7.090 5.359 147 HB3 PHE 24 HB1 PHE 24 8.901 6.092 5.609 148 HD1 PHE 24 HD2 PHE 24 10.634 6.921 7.298 149 HD2 PHE 24 HD1 PHE 24 6.675 8.463 7.049 150 HE1 PHE 24 HE2 PHE 24 10.830 7.789 9.593 151 HE2 PHE 24 HE1 PHE 24 6.866 9.335 9.342 152 HZ PHE 24 HZ PHE 24 8.945 8.996 10.617 153 H MET 25 HN MET 25 8.630 7.137 2.273 154 HA MET 25 HA MET 25 10.769 5.209 1.969 155 HB2 MET 25 HB2 MET 25 8.403 5.979 0.242 156 HB3 MET 25 HB1 MET 25 9.607 4.789 -0.242 157 HG2 MET 25 HG2 MET 25 7.299 4.236 1.107 158 HG3 MET 25 HG1 MET 25 8.715 3.189 1.033 159 HE1 MET 25 HE1 MET 25 10.734 3.561 2.743 160 HE2 MET 25 HE2 MET 25 9.739 2.250 3.396 161 HE3 MET 25 HE3 MET 25 10.339 3.526 4.460 162 H GLU 26 HN GLU 26 9.611 8.211 0.560 163 HA GLU 26 HA GLU 26 11.603 8.616 -1.352 164 HB2 GLU 26 HB2 GLU 26 9.697 10.312 0.184 165 HB3 GLU 26 HB1 GLU 26 11.057 11.144 -0.537 166 HG2 GLU 26 HG2 GLU 26 10.414 10.135 -2.724 167 HG3 GLU 26 HG1 GLU 26 8.968 9.515 -1.936 168 H GLN 27 HN GLN 27 11.472 8.876 2.072 169 HA GLN 27 HA GLN 27 14.010 10.220 2.358 170 HB2 GLN 27 HB2 GLN 27 11.920 9.238 4.237 171 HB3 GLN 27 HB1 GLN 27 13.511 9.661 4.840 172 HG2 GLN 27 HG2 GLN 27 11.672 11.468 3.306 173 HG3 GLN 27 HG1 GLN 27 11.927 11.501 5.048 174 HE21 GLN 27 HE21 GLN 27 14.782 10.956 4.801 175 HE22 GLN 27 HE22 GLN 27 15.506 12.426 4.254 176 H PHE 28 HN PHE 28 12.626 7.013 3.000 177 HA PHE 28 HA PHE 28 14.819 5.786 4.152 178 HB2 PHE 28 HB2 PHE 28 12.624 4.693 3.897 179 HB3 PHE 28 HB1 PHE 28 12.907 4.533 2.172 180 HD1 PHE 28 HD2 PHE 28 13.958 3.437 5.517 181 HD2 PHE 28 HD1 PHE 28 14.271 2.802 1.329 182 HE1 PHE 28 HE2 PHE 28 15.035 1.266 5.933 183 HE2 PHE 28 HE1 PHE 28 15.330 0.633 1.730 184 HZ PHE 28 HZ PHE 28 15.723 -0.138 4.034 185 H TYR 29 HN TYR 29 14.084 6.481 0.815 186 HA TYR 29 HA TYR 29 16.389 5.185 -0.291 187 HB2 TYR 29 HB2 TYR 29 14.427 5.539 -1.683 188 HB3 TYR 29 HB1 TYR 29 14.466 7.267 -1.377 189 HD1 TYR 29 HD1 TYR 29 16.144 4.502 -3.152 190 HD2 TYR 29 HD2 TYR 29 15.877 8.717 -2.640 191 HE1 TYR 29 HE1 TYR 29 17.495 4.826 -5.177 192 HE2 TYR 29 HE2 TYR 29 17.230 9.054 -4.665 193 HH TYR 29 HH TYR 29 18.856 7.833 -6.019 194 H ALA 30 HN ALA 30 15.483 8.396 0.797 195 HA ALA 30 HA ALA 30 17.833 9.739 -0.084 196 HB1 ALA 30 HB1 ALA 30 15.776 10.406 2.018 197 HB2 ALA 30 HB2 ALA 30 15.876 11.029 0.372 198 HB3 ALA 30 HB3 ALA 30 17.092 11.488 1.564 199 H LYS 31 HN LYS 31 17.198 7.543 2.401 200 HA LYS 31 HA LYS 31 19.534 8.360 3.980 201 HB2 LYS 31 HB2 LYS 31 17.371 6.360 4.669 202 HB3 LYS 31 HB1 LYS 31 18.642 6.930 5.740 203 HG2 LYS 31 HG2 LYS 31 17.588 8.879 6.184 204 HG3 LYS 31 HG1 LYS 31 16.872 8.987 4.574 205 HD2 LYS 31 HD2 LYS 31 15.162 7.430 5.129 206 HD3 LYS 31 HD1 LYS 31 15.984 6.964 6.622 207 HE2 LYS 31 HE2 LYS 31 14.836 9.693 6.049 208 HE3 LYS 31 HE1 LYS 31 14.043 8.443 7.007 209 HZ1 LYS 31 HZ1 LYS 31 15.893 8.520 8.565 210 HZ2 LYS 31 HZ2 LYS 31 15.176 10.044 8.414 211 HZ3 LYS 31 HZ3 LYS 31 16.648 9.724 7.644 212 H LYS 32 HN LYS 32 18.222 5.884 1.949 213 HA LYS 32 HA LYS 32 20.591 4.204 2.402 214 HB2 LYS 32 HB2 LYS 32 17.727 3.574 1.904 215 HB3 LYS 32 HB1 LYS 32 18.931 2.474 1.271 216 HG2 LYS 32 HG2 LYS 32 19.166 3.302 4.106 217 HG3 LYS 32 HG1 LYS 32 17.879 2.179 3.671 218 HD2 LYS 32 HD2 LYS 32 19.493 0.646 2.718 219 HD3 LYS 32 HD1 LYS 32 20.801 1.790 3.035 220 HE2 LYS 32 HE2 LYS 32 20.436 1.586 5.423 221 HE3 LYS 32 HE1 LYS 32 19.057 0.524 5.144 222 HZ1 LYS 32 HZ1 LYS 32 21.861 -0.082 4.378 223 HZ2 LYS 32 HZ2 LYS 32 20.531 -1.108 4.181 224 HZ3 LYS 32 HZ3 LYS 32 21.064 -0.705 5.735 225 H GLY 33 HN GLY 33 18.201 4.033 -0.179 226 HA2 GLY 33 HA2 GLY 33 19.008 5.285 -2.313 227 HA3 GLY 33 HA1 GLY 33 20.380 4.196 -2.140 228 H SER 34 HN SER 34 18.058 2.386 -0.948 229 HA SER 34 HA SER 34 16.588 1.634 -3.288 230 HB2 SER 34 HB2 SER 34 17.515 -0.613 -3.544 231 HB3 SER 34 HB1 SER 34 18.773 0.598 -3.800 232 HG SER 34 HG SER 34 18.458 -0.345 -1.206 233 H PHE 35 HN PHE 35 15.431 -0.565 -2.812 234 HA PHE 35 HA PHE 35 14.637 -0.532 0.021 235 HB2 PHE 35 HB2 PHE 35 13.054 -0.602 -2.474 236 HB3 PHE 35 HB1 PHE 35 12.466 -1.632 -1.171 237 HD1 PHE 35 HD1 PHE 35 13.919 1.793 -1.444 238 HD2 PHE 35 HD2 PHE 35 10.812 -0.681 0.079 239 HE1 PHE 35 HE1 PHE 35 12.894 3.750 -0.366 240 HE2 PHE 35 HE2 PHE 35 9.781 1.273 1.157 241 HZ PHE 35 HZ PHE 35 10.828 3.488 0.934 242 H LYS 36 HN LYS 36 13.645 -2.942 -2.371 243 HA LYS 36 HA LYS 36 14.518 -5.041 -0.622 244 HB2 LYS 36 HB2 LYS 36 12.676 -4.872 -2.705 245 HB3 LYS 36 HB1 LYS 36 13.949 -5.913 -3.322 246 HG2 LYS 36 HG2 LYS 36 13.354 -6.724 -0.661 247 HG3 LYS 36 HG1 LYS 36 11.845 -6.580 -1.563 248 HD2 LYS 36 HD2 LYS 36 14.259 -8.070 -2.564 249 HD3 LYS 36 HD1 LYS 36 12.940 -8.830 -1.673 250 HE2 LYS 36 HE2 LYS 36 11.396 -8.411 -3.393 251 HE3 LYS 36 HE1 LYS 36 12.461 -7.245 -4.180 252 HZ1 LYS 36 HZ1 LYS 36 13.972 -9.078 -4.704 253 HZ2 LYS 36 HZ2 LYS 36 12.442 -9.322 -5.381 254 HZ3 LYS 36 HZ3 LYS 36 12.899 -10.178 -3.995 255 H LEU 37 HN LEU 37 16.052 -6.714 -1.212 256 HA LEU 37 HA LEU 37 18.128 -5.745 -3.062 257 HB2 LEU 37 HB2 LEU 37 19.612 -7.029 -1.258 258 HB3 LEU 37 HB1 LEU 37 19.264 -5.313 -1.166 259 HG LEU 37 HG LEU 37 17.483 -7.309 0.213 260 HD11 LEU 37 HD11 LEU 37 19.765 -7.804 0.947 261 HD12 LEU 37 HD12 LEU 37 18.833 -7.041 2.234 262 HD13 LEU 37 HD13 LEU 37 20.021 -6.101 1.329 263 HD21 LEU 37 HD21 LEU 37 16.618 -5.086 0.088 264 HD22 LEU 37 HD22 LEU 37 18.157 -4.392 0.607 265 HD23 LEU 37 HD23 LEU 37 17.192 -5.343 1.738 266 H THR 38 HN THR 38 16.453 -8.490 -1.681 267 HA THR 38 HA THR 38 17.707 -10.191 -3.731 268 HB THR 38 HB THR 38 18.801 -10.528 -1.469 269 HG1 THR 38 HG1 THR 38 17.858 -12.996 -1.776 270 HG21 THR 38 HG21 THR 38 16.745 -10.242 -0.136 271 HG22 THR 38 HG22 THR 38 17.540 -11.785 0.201 272 HG23 THR 38 HG23 THR 38 16.107 -11.736 -0.831 273 H SER 39 HN SER 39 16.476 -12.130 -4.220 274 HA SER 39 HA SER 39 13.704 -11.630 -4.362 275 HB2 SER 39 HB2 SER 39 15.074 -14.291 -4.787 276 HB3 SER 39 HB1 SER 39 13.506 -13.784 -5.420 277 HG SER 39 HG SER 39 15.665 -12.166 -6.058 278 H THR 40 HN THR 40 12.130 -12.093 -3.061 279 HA THR 40 HA THR 40 10.886 -12.958 -1.389 280 HB THR 40 HB THR 40 11.313 -15.044 -0.364 281 HG1 THR 40 HG1 THR 40 13.469 -16.054 -0.794 282 HG21 THR 40 HG21 THR 40 10.750 -15.092 -2.775 283 HG22 THR 40 HG22 THR 40 11.676 -16.501 -2.252 284 HG23 THR 40 HG23 THR 40 12.474 -15.206 -3.143 285 H LYS 41 HN LYS 41 12.259 -10.728 -0.943 286 HA LYS 41 HA LYS 41 13.032 -10.972 1.888 287 HB2 LYS 41 HB2 LYS 41 14.863 -10.328 0.187 288 HB3 LYS 41 HB1 LYS 41 14.077 -8.762 0.126 289 HG2 LYS 41 HG2 LYS 41 14.283 -9.194 2.807 290 HG3 LYS 41 HG1 LYS 41 15.758 -9.938 2.196 291 HD2 LYS 41 HD2 LYS 41 16.080 -7.586 2.798 292 HD3 LYS 41 HD1 LYS 41 16.360 -7.892 1.087 293 HE2 LYS 41 HE2 LYS 41 14.740 -6.514 0.468 294 HE3 LYS 41 HE1 LYS 41 13.605 -7.205 1.625 295 HZ1 LYS 41 HZ1 LYS 41 15.682 -5.179 2.269 296 HZ2 LYS 41 HZ2 LYS 41 14.545 -5.813 3.348 297 HZ3 LYS 41 HZ3 LYS 41 14.037 -4.853 2.052 298 H TRP 42 HN TRP 42 12.384 -9.142 3.244 299 HA TRP 42 HA TRP 42 10.245 -7.547 2.012 300 HB2 TRP 42 HB2 TRP 42 10.041 -9.463 4.232 301 HB3 TRP 42 HB1 TRP 42 9.257 -7.913 4.502 302 HD1 TRP 42 HD1 TRP 42 8.661 -7.986 1.085 303 HE1 TRP 42 HE1 TRP 42 6.493 -9.186 0.431 304 HE3 TRP 42 HE3 TRP 42 7.861 -10.638 5.386 305 HZ2 TRP 42 HZ2 TRP 42 4.681 -10.987 1.565 306 HZ3 TRP 42 HZ3 TRP 42 5.874 -12.086 5.513 307 HH2 TRP 42 HH2 TRP 42 4.315 -12.260 3.639 308 HA PRO 43 HA PRO 43 12.655 -4.423 4.344 309 HB2 PRO 43 HB2 PRO 43 11.762 -2.344 2.803 310 HB3 PRO 43 HB1 PRO 43 13.161 -3.331 2.368 311 HG2 PRO 43 HG2 PRO 43 10.343 -3.492 1.380 312 HG3 PRO 43 HG1 PRO 43 11.861 -3.640 0.473 313 HD2 PRO 43 HD2 PRO 43 10.391 -5.795 1.206 314 HD3 PRO 43 HD1 PRO 43 12.168 -5.841 1.093 315 H GLU 44 HN GLU 44 11.722 -3.609 6.202 316 HA GLU 44 HA GLU 44 9.003 -3.828 6.702 317 HB2 GLU 44 HB2 GLU 44 10.948 -3.657 8.348 318 HB3 GLU 44 HB1 GLU 44 10.726 -1.925 8.182 319 HG2 GLU 44 HG2 GLU 44 8.191 -2.686 8.611 320 HG3 GLU 44 HG1 GLU 44 9.054 -3.914 9.536 321 H LEU 45 HN LEU 45 7.323 -2.497 6.774 322 HA LEU 45 HA LEU 45 7.437 -0.095 5.121 323 HB2 LEU 45 HB2 LEU 45 5.024 -0.259 5.116 324 HB3 LEU 45 HB1 LEU 45 5.710 -1.830 4.752 325 HG LEU 45 HG LEU 45 5.175 -1.443 7.581 326 HD11 LEU 45 HD11 LEU 45 2.699 -1.807 7.234 327 HD12 LEU 45 HD12 LEU 45 2.974 -1.119 5.631 328 HD13 LEU 45 HD13 LEU 45 3.348 -0.174 7.076 329 HD21 LEU 45 HD21 LEU 45 3.892 -3.631 7.076 330 HD22 LEU 45 HD22 LEU 45 5.659 -3.599 7.076 331 HD23 LEU 45 HD23 LEU 45 4.774 -3.549 5.552 332 HA PRO 46 HA PRO 46 7.102 2.656 8.581 333 HB2 PRO 46 HB2 PRO 46 6.156 4.865 7.364 334 HB3 PRO 46 HB1 PRO 46 7.802 4.275 7.110 335 HG2 PRO 46 HG2 PRO 46 5.398 3.988 5.368 336 HG3 PRO 46 HG1 PRO 46 7.078 4.278 4.912 337 HD2 PRO 46 HD2 PRO 46 5.833 1.829 4.807 338 HD3 PRO 46 HD1 PRO 46 7.584 2.060 4.926 339 H VAL 47 HN VAL 47 4.265 3.547 6.595 340 HA VAL 47 HA VAL 47 2.672 3.762 8.996 341 HB VAL 47 HB VAL 47 2.433 5.396 7.094 342 HG11 VAL 47 HG11 VAL 47 2.548 3.840 5.241 343 HG12 VAL 47 HG12 VAL 47 1.040 4.754 5.199 344 HG13 VAL 47 HG13 VAL 47 1.043 3.087 5.771 345 HG21 VAL 47 HG21 VAL 47 0.706 4.889 8.916 346 HG22 VAL 47 HG22 VAL 47 -0.181 4.042 7.647 347 HG23 VAL 47 HG23 VAL 47 0.166 5.764 7.482 348 H LYS 48 HN LYS 48 1.053 2.485 9.641 349 HA LYS 48 HA LYS 48 0.463 0.080 8.053 350 HB2 LYS 48 HB2 LYS 48 0.458 0.144 11.063 351 HB3 LYS 48 HB1 LYS 48 0.442 -1.263 10.008 352 HG2 LYS 48 HG2 LYS 48 2.636 -1.395 10.263 353 HG3 LYS 48 HG1 LYS 48 2.785 0.119 9.370 354 HD2 LYS 48 HD2 LYS 48 2.437 -0.147 12.357 355 HD3 LYS 48 HD1 LYS 48 3.945 0.231 11.524 356 HE2 LYS 48 HE2 LYS 48 2.842 2.261 10.591 357 HE3 LYS 48 HE1 LYS 48 1.435 1.904 11.594 358 HZ1 LYS 48 HZ1 LYS 48 2.840 3.515 12.676 359 HZ2 LYS 48 HZ2 LYS 48 4.181 2.490 12.570 360 HZ3 LYS 48 HZ3 LYS 48 2.873 2.069 13.556 361 H GLU 49 HN GLU 49 -0.690 2.896 9.095 362 HA GLU 49 HA GLU 49 -3.418 2.151 8.755 363 HB2 GLU 49 HB2 GLU 49 -3.360 1.416 10.994 364 HB3 GLU 49 HB1 GLU 49 -2.437 2.816 11.517 365 HG2 GLU 49 HG2 GLU 49 -4.369 4.245 11.090 366 HG3 GLU 49 HG1 GLU 49 -5.293 2.836 10.567 367 H ALA 50 HN ALA 50 -4.621 3.804 8.167 368 HA ALA 50 HA ALA 50 -3.411 6.462 7.997 369 HB1 ALA 50 HB1 ALA 50 -5.400 4.924 6.440 370 HB2 ALA 50 HB2 ALA 50 -4.144 6.030 5.891 371 HB3 ALA 50 HB3 ALA 50 -5.651 6.665 6.543 372 H GLY 51 HN GLY 51 -6.706 5.278 8.308 373 HA2 GLY 51 HA2 GLY 51 -7.330 6.375 10.819 374 HA3 GLY 51 HA1 GLY 51 -7.805 7.523 9.566 375 H GLY 52 HN GLY 52 -8.289 5.496 7.614 376 HA2 GLY 52 HA2 GLY 52 -10.622 4.075 8.687 377 HA3 GLY 52 HA1 GLY 52 -10.741 5.009 7.204 378 H PHE 53 HN PHE 53 -7.748 4.083 7.028 379 HA PHE 53 HA PHE 53 -8.273 1.418 5.883 380 HB2 PHE 53 HB2 PHE 53 -6.831 3.768 4.738 381 HB3 PHE 53 HB1 PHE 53 -6.160 2.178 4.429 382 HD1 PHE 53 HD1 PHE 53 -9.683 3.405 4.535 383 HD2 PHE 53 HD2 PHE 53 -6.578 1.626 2.264 384 HE1 PHE 53 HE1 PHE 53 -11.229 3.107 2.656 385 HE2 PHE 53 HE2 PHE 53 -8.119 1.312 0.381 386 HZ PHE 53 HZ PHE 53 -10.454 2.058 0.576 387 H CYS 54 HN CYS 54 -6.308 0.048 5.783 388 HA CYS 54 HA CYS 54 -4.337 0.746 7.843 389 HB2 CYS 54 HB2 CYS 54 -4.237 -1.544 8.594 390 HB3 CYS 54 HB1 CYS 54 -5.917 -1.031 8.633 391 H ILE 55 HN ILE 55 -2.222 0.291 7.355 392 HA ILE 55 HA ILE 55 -1.801 -0.418 4.539 393 HB ILE 55 HB ILE 55 -0.174 1.395 6.299 394 HG12 ILE 55 HG12 ILE 55 -1.062 3.078 4.533 395 HG13 ILE 55 HG11 ILE 55 -2.278 1.850 4.214 396 HG21 ILE 55 HG21 ILE 55 0.851 2.037 4.062 397 HG22 ILE 55 HG22 ILE 55 0.152 0.537 3.443 398 HG23 ILE 55 HG23 ILE 55 1.334 0.487 4.754 399 HD11 ILE 55 HD11 ILE 55 -3.201 2.045 6.346 400 HD12 ILE 55 HD12 ILE 55 -2.905 3.699 5.808 401 HD13 ILE 55 HD13 ILE 55 -1.807 2.937 6.959 402 H ARG 56 HN ARG 56 -0.002 -1.507 3.883 403 HA ARG 56 HA ARG 56 1.789 -2.764 5.803 404 HB2 ARG 56 HB2 ARG 56 -0.279 -4.244 4.198 405 HB3 ARG 56 HB1 ARG 56 1.262 -5.011 4.548 406 HG2 ARG 56 HG2 ARG 56 -0.557 -3.880 6.659 407 HG3 ARG 56 HG1 ARG 56 -0.584 -5.564 6.132 408 HD2 ARG 56 HD2 ARG 56 1.726 -5.841 6.816 409 HD3 ARG 56 HD1 ARG 56 1.818 -4.139 7.267 410 HE ARG 56 HE ARG 56 -0.270 -5.218 8.721 411 HH11 ARG 56 HH11 ARG 56 3.162 -5.737 8.411 412 HH12 ARG 56 HH12 ARG 56 3.360 -6.270 10.049 413 HH21 ARG 56 HH21 ARG 56 -0.017 -5.918 10.879 414 HH22 ARG 56 HH22 ARG 56 1.553 -6.374 11.449 415 H MET 57 HN MET 57 3.620 -3.812 4.725 416 HA MET 57 HA MET 57 4.616 -2.296 2.594 417 HB2 MET 57 HB2 MET 57 5.914 -3.687 4.318 418 HB3 MET 57 HB1 MET 57 5.621 -5.050 3.248 419 HG2 MET 57 HG2 MET 57 6.567 -3.097 1.555 420 HG3 MET 57 HG1 MET 57 7.520 -2.873 3.023 421 HE1 MET 57 HE1 MET 57 6.221 -5.287 0.401 422 HE2 MET 57 HE2 MET 57 6.084 -6.432 1.738 423 HE3 MET 57 HE3 MET 57 7.295 -6.680 0.484 424 H SER 58 HN SER 58 5.163 -2.954 0.427 425 HA SER 58 HA SER 58 3.150 -3.813 -1.153 426 HB2 SER 58 HB2 SER 58 5.073 -2.868 -2.190 427 HB3 SER 58 HB1 SER 58 6.124 -4.147 -1.562 428 HG SER 58 HG SER 58 5.677 -5.242 -3.284 429 H GLY 59 HN GLY 59 3.341 -5.919 -2.637 430 HA2 GLY 59 HA2 GLY 59 2.269 -7.978 -1.175 431 HA3 GLY 59 HA1 GLY 59 2.910 -8.174 -2.783 432 H GLN 60 HN GLN 60 3.765 -10.017 -2.715 433 HA GLN 60 HA GLN 60 5.049 -11.240 -0.556 434 HB2 GLN 60 HB2 GLN 60 4.635 -11.758 -3.417 435 HB3 GLN 60 HB1 GLN 60 5.874 -12.704 -2.600 436 HG2 GLN 60 HG2 GLN 60 4.349 -13.525 -1.058 437 HG3 GLN 60 HG1 GLN 60 3.088 -12.372 -1.568 438 HE21 GLN 60 HE21 GLN 60 1.626 -14.055 -1.977 439 HE22 GLN 60 HE22 GLN 60 1.777 -15.094 -3.350 440 H ALA 61 HN ALA 61 7.055 -11.582 -0.034 441 HA ALA 61 HA ALA 61 9.048 -9.725 -0.469 442 HB1 ALA 61 HB1 ALA 61 8.943 -11.480 1.339 443 HB2 ALA 61 HB2 ALA 61 10.533 -11.222 0.619 444 HB3 ALA 61 HB3 ALA 61 9.569 -12.625 0.150 445 H LYS 62 HN LYS 62 8.105 -12.471 -2.391 446 HA LYS 62 HA LYS 62 10.535 -12.544 -3.939 447 HB2 LYS 62 HB2 LYS 62 9.259 -14.557 -3.710 448 HB3 LYS 62 HB1 LYS 62 7.823 -13.776 -4.337 449 HG2 LYS 62 HG2 LYS 62 8.424 -14.796 -6.249 450 HG3 LYS 62 HG1 LYS 62 9.509 -13.416 -6.412 451 HD2 LYS 62 HD2 LYS 62 10.784 -15.395 -6.812 452 HD3 LYS 62 HD1 LYS 62 11.263 -14.753 -5.239 453 HE2 LYS 62 HE2 LYS 62 10.981 -17.201 -5.216 454 HE3 LYS 62 HE1 LYS 62 9.881 -16.380 -4.109 455 HZ1 LYS 62 HZ1 LYS 62 8.722 -18.094 -5.317 456 HZ2 LYS 62 HZ2 LYS 62 9.198 -17.436 -6.801 457 HZ3 LYS 62 HZ3 LYS 62 8.136 -16.582 -5.801 458 H GLY 63 HN GLY 63 7.571 -10.820 -4.031 459 HA2 GLY 63 HA2 GLY 63 8.339 -9.523 -6.561 460 HA3 GLY 63 HA1 GLY 63 6.669 -9.838 -6.119 461 H ILE 64 HN ILE 64 9.539 -8.316 -4.682 462 HA ILE 64 HA ILE 64 7.746 -6.222 -3.688 463 HB ILE 64 HB ILE 64 10.311 -7.267 -2.528 464 HG12 ILE 64 HG12 ILE 64 8.640 -8.664 -1.817 465 HG13 ILE 64 HG11 ILE 64 8.592 -7.435 -0.557 466 HG21 ILE 64 HG21 ILE 64 8.720 -4.845 -1.746 467 HG22 ILE 64 HG22 ILE 64 10.436 -4.936 -2.148 468 HG23 ILE 64 HG23 ILE 64 9.835 -5.671 -0.658 469 HD11 ILE 64 HD11 ILE 64 6.698 -7.892 -2.829 470 HD12 ILE 64 HD12 ILE 64 6.802 -6.316 -2.027 471 HD13 ILE 64 HD13 ILE 64 6.369 -7.750 -1.096 472 H LEU 65 HN LEU 65 8.144 -4.203 -3.747 473 HA LEU 65 HA LEU 65 8.856 -2.863 -5.853 474 HB2 LEU 65 HB2 LEU 65 9.788 -1.130 -4.034 475 HB3 LEU 65 HB1 LEU 65 8.085 -1.416 -4.330 476 HG LEU 65 HG LEU 65 8.365 -3.219 -2.486 477 HD11 LEU 65 HD11 LEU 65 10.086 -2.605 -0.837 478 HD12 LEU 65 HD12 LEU 65 10.704 -1.399 -1.969 479 HD13 LEU 65 HD13 LEU 65 10.786 -3.114 -2.377 480 HD21 LEU 65 HD21 LEU 65 7.404 -0.681 -2.524 481 HD22 LEU 65 HD22 LEU 65 8.618 -0.576 -1.246 482 HD23 LEU 65 HD23 LEU 65 7.315 -1.762 -1.132 483 H GLU 66 HN GLU 66 10.544 -1.905 -6.855 484 HA GLU 66 HA GLU 66 13.234 -2.051 -5.802 485 HB2 GLU 66 HB2 GLU 66 12.418 -3.683 -8.212 486 HB3 GLU 66 HB1 GLU 66 14.085 -3.218 -7.896 487 HG2 GLU 66 HG2 GLU 66 13.655 -4.317 -5.568 488 HG3 GLU 66 HG1 GLU 66 12.337 -5.125 -6.419 489 H GLY 67 HN GLY 67 13.881 -0.032 -6.175 490 HA2 GLY 67 HA2 GLY 67 14.343 1.917 -7.344 491 HA3 GLY 67 HA1 GLY 67 13.832 1.091 -8.817 492 H LYS 68 HN LYS 68 11.548 0.556 -6.598 493 HA LYS 68 HA LYS 68 9.967 2.975 -7.036 494 HB2 LYS 68 HB2 LYS 68 8.140 1.819 -7.971 495 HB3 LYS 68 HB1 LYS 68 9.527 1.101 -8.778 496 HG2 LYS 68 HG2 LYS 68 8.930 -0.901 -8.099 497 HG3 LYS 68 HG1 LYS 68 9.012 -0.386 -6.418 498 HD2 LYS 68 HD2 LYS 68 6.686 0.569 -6.734 499 HD3 LYS 68 HD1 LYS 68 6.641 -0.308 -8.267 500 HE2 LYS 68 HE2 LYS 68 7.355 -2.342 -6.809 501 HE3 LYS 68 HE1 LYS 68 6.733 -1.368 -5.476 502 HZ1 LYS 68 HZ1 LYS 68 5.026 -2.830 -6.329 503 HZ2 LYS 68 HZ2 LYS 68 5.204 -2.193 -7.886 504 HZ3 LYS 68 HZ3 LYS 68 4.607 -1.219 -6.638 505 H PHE 69 HN PHE 69 8.837 3.502 -5.156 506 HA PHE 69 HA PHE 69 8.672 1.352 -3.144 507 HB2 PHE 69 HB2 PHE 69 8.642 4.136 -2.142 508 HB3 PHE 69 HB1 PHE 69 9.401 2.698 -1.469 509 HD1 PHE 69 HD2 PHE 69 11.209 1.849 -3.609 510 HD2 PHE 69 HD1 PHE 69 10.260 5.748 -2.217 511 HE1 PHE 69 HE2 PHE 69 13.389 2.658 -4.408 512 HE2 PHE 69 HE1 PHE 69 12.437 6.570 -3.012 513 HZ PHE 69 HZ PHE 69 14.003 5.023 -4.113 514 H THR 70 HN THR 70 6.645 0.746 -2.692 515 HA THR 70 HA THR 70 4.535 2.770 -2.628 516 HB THR 70 HB THR 70 4.020 0.262 -4.198 517 HG1 THR 70 HG1 THR 70 5.432 2.540 -4.982 518 HG21 THR 70 HG21 THR 70 2.678 2.931 -3.821 519 HG22 THR 70 HG22 THR 70 1.981 1.311 -3.720 520 HG23 THR 70 HG23 THR 70 2.385 2.003 -5.290 521 H LEU 71 HN LEU 71 2.865 2.325 -1.294 522 HA LEU 71 HA LEU 71 2.783 -0.328 -0.033 523 HB2 LEU 71 HB2 LEU 71 2.385 2.380 1.214 524 HB3 LEU 71 HB1 LEU 71 1.858 0.898 1.977 525 HG LEU 71 HG LEU 71 4.587 1.981 1.624 526 HD11 LEU 71 HD11 LEU 71 4.769 0.939 3.915 527 HD12 LEU 71 HD12 LEU 71 3.043 0.607 3.797 528 HD13 LEU 71 HD13 LEU 71 3.627 2.271 3.751 529 HD21 LEU 71 HD21 LEU 71 5.451 -0.345 2.222 530 HD22 LEU 71 HD22 LEU 71 5.014 -0.046 0.541 531 HD23 LEU 71 HD23 LEU 71 3.915 -0.940 1.592 532 H LYS 72 HN LYS 72 0.677 -0.977 0.718 533 HA LYS 72 HA LYS 72 -1.502 0.421 -0.684 534 HB2 LYS 72 HB2 LYS 72 -1.142 -1.701 -1.766 535 HB3 LYS 72 HB1 LYS 72 -1.142 -2.533 -0.218 536 HG2 LYS 72 HG2 LYS 72 -3.577 -1.305 -0.180 537 HG3 LYS 72 HG1 LYS 72 -3.379 -1.693 -1.892 538 HD2 LYS 72 HD2 LYS 72 -4.474 -3.540 -0.795 539 HD3 LYS 72 HD1 LYS 72 -2.843 -4.032 -1.250 540 HE2 LYS 72 HE2 LYS 72 -2.106 -3.516 1.069 541 HE3 LYS 72 HE1 LYS 72 -3.786 -3.192 1.488 542 HZ1 LYS 72 HZ1 LYS 72 -2.674 -5.776 0.540 543 HZ2 LYS 72 HZ2 LYS 72 -4.313 -5.485 0.836 544 HZ3 LYS 72 HZ3 LYS 72 -3.199 -5.423 2.109 545 H ALA 73 HN ALA 73 -3.385 0.666 0.311 546 HA ALA 73 HA ALA 73 -3.462 0.018 3.175 547 HB1 ALA 73 HB1 ALA 73 -4.820 2.341 1.843 548 HB2 ALA 73 HB2 ALA 73 -3.174 2.438 2.461 549 HB3 ALA 73 HB3 ALA 73 -4.517 2.101 3.565 550 H VAL 74 HN VAL 74 -5.457 -0.600 4.019 551 HA VAL 74 HA VAL 74 -7.561 -1.219 2.064 552 HB VAL 74 HB VAL 74 -6.289 -3.035 4.086 553 HG11 VAL 74 HG11 VAL 74 -8.152 -4.634 3.655 554 HG12 VAL 74 HG12 VAL 74 -9.028 -3.337 2.847 555 HG13 VAL 74 HG13 VAL 74 -8.647 -3.208 4.563 556 HG21 VAL 74 HG21 VAL 74 -5.919 -4.459 2.277 557 HG22 VAL 74 HG22 VAL 74 -5.607 -2.845 1.628 558 HG23 VAL 74 HG23 VAL 74 -7.137 -3.660 1.278 559 H ALA 75 HN ALA 75 -9.613 -0.830 2.733 560 HA ALA 75 HA ALA 75 -10.116 0.890 4.833 561 HB1 ALA 75 HB1 ALA 75 -11.879 -0.969 3.278 562 HB2 ALA 75 HB2 ALA 75 -11.773 0.799 3.220 563 HB3 ALA 75 HB3 ALA 75 -12.528 0.005 4.602 564 H LEU 76 HN LEU 76 -10.559 0.691 6.940 565 HA LEU 76 HA LEU 76 -9.895 -1.693 8.296 566 HB2 LEU 76 HB2 LEU 76 -11.352 0.750 9.318 567 HB3 LEU 76 HB1 LEU 76 -10.544 -0.461 10.305 568 HG LEU 76 HG LEU 76 -9.106 1.197 8.249 569 HD11 LEU 76 HD11 LEU 76 -9.961 2.767 9.840 570 HD12 LEU 76 HD12 LEU 76 -8.238 2.525 10.148 571 HD13 LEU 76 HD13 LEU 76 -9.439 1.752 11.188 572 HD21 LEU 76 HD21 LEU 76 -8.110 -0.410 10.596 573 HD22 LEU 76 HD22 LEU 76 -7.114 0.505 9.466 574 HD23 LEU 76 HD23 LEU 76 -8.026 -0.896 8.902 575 H ASP 77 HN ASP 77 -12.806 -0.098 7.295 576 HA ASP 77 HA ASP 77 -14.472 -2.330 8.227 577 HB2 ASP 77 HB2 ASP 77 -15.537 0.099 6.805 578 HB3 ASP 77 HB1 ASP 77 -16.357 -0.958 7.946 579 H ARG 78 HN ARG 78 -12.507 -2.426 5.995 580 HA ARG 78 HA ARG 78 -13.598 -2.252 3.485 581 HB2 ARG 78 HB2 ARG 78 -11.852 -3.609 2.733 582 HB3 ARG 78 HB1 ARG 78 -11.215 -2.770 4.128 583 HG2 ARG 78 HG2 ARG 78 -10.566 -4.748 4.891 584 HG3 ARG 78 HG1 ARG 78 -12.275 -5.130 5.150 585 HD2 ARG 78 HD2 ARG 78 -12.306 -5.770 2.680 586 HD3 ARG 78 HD1 ARG 78 -10.545 -5.754 2.781 587 HE ARG 78 HE ARG 78 -11.282 -7.356 4.845 588 HH11 ARG 78 HH11 ARG 78 -12.007 -7.336 1.435 589 HH12 ARG 78 HH12 ARG 78 -12.220 -9.053 1.342 590 HH21 ARG 78 HH21 ARG 78 -11.563 -9.615 4.728 591 HH22 ARG 78 HH22 ARG 78 -11.972 -10.347 3.213 592 H GLU 79 HN GLU 79 -14.278 -4.662 5.909 593 HA GLU 79 HA GLU 79 -15.263 -6.742 4.359 594 HB2 GLU 79 HB2 GLU 79 -16.656 -5.715 6.832 595 HB3 GLU 79 HB1 GLU 79 -16.596 -7.371 6.242 596 HG2 GLU 79 HG2 GLU 79 -14.209 -7.463 6.745 597 HG3 GLU 79 HG1 GLU 79 -14.273 -5.804 7.336 598 H ALA 80 HN ALA 80 -16.380 -3.606 4.968 599 HA ALA 80 HA ALA 80 -18.879 -3.971 3.509 600 HB1 ALA 80 HB1 ALA 80 -19.299 -1.617 4.434 601 HB2 ALA 80 HB2 ALA 80 -17.881 -1.903 5.452 602 HB3 ALA 80 HB3 ALA 80 -19.297 -2.953 5.586 603 H GLU 81 HN GLU 81 -15.730 -2.532 3.372 604 HA GLU 81 HA GLU 81 -16.397 -1.245 0.794 605 HB2 GLU 81 HB2 GLU 81 -14.274 -0.114 2.553 606 HB3 GLU 81 HB1 GLU 81 -15.275 0.678 1.344 607 HG2 GLU 81 HG2 GLU 81 -16.282 -0.286 4.006 608 HG3 GLU 81 HG1 GLU 81 -15.750 1.361 3.675 609 HA PRO 82 HA PRO 82 -13.003 -4.352 0.077 610 HB2 PRO 82 HB2 PRO 82 -13.620 -4.537 -2.615 611 HB3 PRO 82 HB1 PRO 82 -14.273 -5.586 -1.353 612 HG2 PRO 82 HG2 PRO 82 -15.489 -3.172 -2.629 613 HG3 PRO 82 HG1 PRO 82 -16.253 -4.710 -2.186 614 HD2 PRO 82 HD2 PRO 82 -16.556 -2.519 -0.685 615 HD3 PRO 82 HD1 PRO 82 -16.400 -4.122 0.057 616 H ARG 83 HN ARG 83 -13.752 -1.225 -1.146 617 HA ARG 83 HA ARG 83 -11.809 -0.816 -3.075 618 HB2 ARG 83 HB2 ARG 83 -13.179 0.992 -1.152 619 HB3 ARG 83 HB1 ARG 83 -11.791 1.610 -2.029 620 HG2 ARG 83 HG2 ARG 83 -13.033 0.698 -4.114 621 HG3 ARG 83 HG1 ARG 83 -14.445 0.734 -3.055 622 HD2 ARG 83 HD2 ARG 83 -14.083 3.095 -2.612 623 HD3 ARG 83 HD1 ARG 83 -12.644 3.079 -3.631 624 HE ARG 83 HE ARG 83 -15.006 2.206 -5.001 625 HH11 ARG 83 HH11 ARG 83 -13.151 4.987 -4.019 626 HH12 ARG 83 HH12 ARG 83 -13.773 6.005 -5.273 627 HH21 ARG 83 HH21 ARG 83 -15.832 3.542 -6.656 628 HH22 ARG 83 HH22 ARG 83 -15.298 5.186 -6.769 629 H VAL 84 HN VAL 84 -9.734 -0.499 -3.132 630 HA VAL 84 HA VAL 84 -8.207 -0.320 -0.614 631 HB VAL 84 HB VAL 84 -6.673 -1.547 -2.730 632 HG11 VAL 84 HG11 VAL 84 -7.103 -3.378 -0.675 633 HG12 VAL 84 HG12 VAL 84 -7.120 -1.783 0.082 634 HG13 VAL 84 HG13 VAL 84 -5.730 -2.287 -0.882 635 HG21 VAL 84 HG21 VAL 84 -9.067 -3.153 -1.876 636 HG22 VAL 84 HG22 VAL 84 -7.826 -3.604 -3.049 637 HG23 VAL 84 HG23 VAL 84 -8.970 -2.312 -3.425 638 H LEU 85 HN LEU 85 -5.990 0.660 -0.932 639 HA LEU 85 HA LEU 85 -5.789 2.305 -3.354 640 HB2 LEU 85 HB2 LEU 85 -6.908 3.615 -1.526 641 HB3 LEU 85 HB1 LEU 85 -5.435 3.465 -0.596 642 HG LEU 85 HG LEU 85 -4.294 4.597 -2.621 643 HD11 LEU 85 HD11 LEU 85 -5.989 4.516 -4.273 644 HD12 LEU 85 HD12 LEU 85 -5.875 6.205 -3.765 645 HD13 LEU 85 HD13 LEU 85 -7.198 5.193 -3.171 646 HD21 LEU 85 HD21 LEU 85 -4.936 6.843 -1.733 647 HD22 LEU 85 HD22 LEU 85 -4.440 5.683 -0.498 648 HD23 LEU 85 HD23 LEU 85 -6.153 6.042 -0.735 649 H ARG 86 HN ARG 86 -3.694 3.343 -3.577 650 HA ARG 86 HA ARG 86 -1.483 2.295 -2.019 651 HB2 ARG 86 HB2 ARG 86 -0.744 0.784 -3.505 652 HB3 ARG 86 HB1 ARG 86 -2.173 1.050 -4.469 653 HG2 ARG 86 HG2 ARG 86 -1.060 2.741 -5.755 654 HG3 ARG 86 HG1 ARG 86 0.353 2.650 -4.707 655 HD2 ARG 86 HD2 ARG 86 0.687 0.309 -5.396 656 HD3 ARG 86 HD1 ARG 86 -0.697 0.446 -6.480 657 HE ARG 86 HE ARG 86 1.161 2.483 -7.056 658 HH11 ARG 86 HH11 ARG 86 0.757 -0.966 -7.358 659 HH12 ARG 86 HH12 ARG 86 1.783 -1.092 -8.747 660 HH21 ARG 86 HH21 ARG 86 2.513 2.324 -8.882 661 HH22 ARG 86 HH22 ARG 86 2.781 0.777 -9.614 662 H LEU 87 HN LEU 87 0.386 3.570 -2.216 663 HA LEU 87 HA LEU 87 0.380 5.756 -4.114 664 HB2 LEU 87 HB2 LEU 87 -0.882 6.542 -2.064 665 HB3 LEU 87 HB1 LEU 87 0.606 6.333 -1.171 666 HG LEU 87 HG LEU 87 1.666 8.126 -2.197 667 HD11 LEU 87 HD11 LEU 87 0.391 9.279 -4.179 668 HD12 LEU 87 HD12 LEU 87 -0.309 7.672 -4.385 669 HD13 LEU 87 HD13 LEU 87 1.440 7.890 -4.472 670 HD21 LEU 87 HD21 LEU 87 -0.195 8.741 -0.675 671 HD22 LEU 87 HD22 LEU 87 -1.233 8.944 -2.087 672 HD23 LEU 87 HD23 LEU 87 0.179 9.980 -1.873 673 H ASN 88 HN ASN 88 2.360 5.982 -4.885 674 HA ASN 88 HA ASN 88 4.528 4.663 -3.429 675 HB2 ASN 88 HB2 ASN 88 5.760 4.693 -5.551 676 HB3 ASN 88 HB1 ASN 88 4.184 3.933 -5.727 677 HD21 ASN 88 HD21 ASN 88 4.081 4.278 -7.909 678 HD22 ASN 88 HD22 ASN 88 3.851 5.844 -8.602 679 H GLU 89 HN GLU 89 6.776 5.704 -3.966 680 HA GLU 89 HA GLU 89 6.971 8.071 -2.487 681 HB2 GLU 89 HB2 GLU 89 9.261 7.949 -2.871 682 HB3 GLU 89 HB1 GLU 89 8.740 6.282 -3.031 683 HG2 GLU 89 HG2 GLU 89 10.096 6.439 -4.845 684 HG3 GLU 89 HG1 GLU 89 8.565 6.915 -5.575 685 H SER 90 HN SER 90 6.354 7.521 -5.833 686 HA SER 90 HA SER 90 7.050 10.199 -6.687 687 HB2 SER 90 HB2 SER 90 5.657 7.962 -8.185 688 HB3 SER 90 HB1 SER 90 6.230 9.469 -8.897 689 HG SER 90 HG SER 90 7.608 7.414 -8.910 690 H LEU 91 HN LEU 91 4.817 9.191 -4.782 691 HA LEU 91 HA LEU 91 2.781 9.834 -4.122 692 HB2 LEU 91 HB2 LEU 91 3.720 12.190 -5.665 693 HB3 LEU 91 HB1 LEU 91 2.162 12.197 -4.856 694 HG LEU 91 HG LEU 91 4.560 12.943 -3.754 695 HD11 LEU 91 HD11 LEU 91 3.333 13.083 -1.658 696 HD12 LEU 91 HD12 LEU 91 2.091 12.015 -2.314 697 HD13 LEU 91 HD13 LEU 91 2.339 13.617 -3.012 698 HD21 LEU 91 HD21 LEU 91 3.871 10.275 -2.551 699 HD22 LEU 91 HD22 LEU 91 5.151 11.375 -2.037 700 HD23 LEU 91 HD23 LEU 91 5.256 10.570 -3.603 701 H THR 92 HN THR 92 2.966 8.245 -6.516 702 HA THR 92 HA THR 92 0.581 9.065 -8.018 703 HB THR 92 HB THR 92 2.633 6.912 -8.547 704 HG1 THR 92 HG1 THR 92 2.171 9.496 -9.507 705 HG21 THR 92 HG21 THR 92 0.168 7.625 -10.140 706 HG22 THR 92 HG22 THR 92 0.445 6.119 -9.265 707 HG23 THR 92 HG23 THR 92 1.436 6.519 -10.668 708 H ALA 93 HN ALA 93 -1.288 8.310 -7.219 709 HA ALA 93 HA ALA 93 -1.223 5.792 -5.703 710 HB1 ALA 93 HB1 ALA 93 -3.618 6.742 -5.076 711 HB2 ALA 93 HB2 ALA 93 -2.820 8.266 -5.464 712 HB3 ALA 93 HB3 ALA 93 -2.154 7.216 -4.211 713 H VAL 94 HN VAL 94 -2.846 4.317 -5.856 714 HA VAL 94 HA VAL 94 -4.729 4.491 -8.071 715 HB VAL 94 HB VAL 94 -2.771 3.347 -9.065 716 HG11 VAL 94 HG11 VAL 94 -1.629 1.718 -8.052 717 HG12 VAL 94 HG12 VAL 94 -3.099 0.850 -7.614 718 HG13 VAL 94 HG13 VAL 94 -2.509 2.155 -6.586 719 HG21 VAL 94 HG21 VAL 94 -4.875 2.763 -9.990 720 HG22 VAL 94 HG22 VAL 94 -5.273 1.729 -8.616 721 HG23 VAL 94 HG23 VAL 94 -4.011 1.243 -9.751 722 H VAL 95 HN VAL 95 -6.580 3.754 -7.590 723 HA VAL 95 HA VAL 95 -6.951 2.342 -5.060 724 HB VAL 95 HB VAL 95 -8.114 4.402 -5.113 725 HG11 VAL 95 HG11 VAL 95 -9.536 5.095 -6.942 726 HG12 VAL 95 HG12 VAL 95 -9.273 3.560 -7.773 727 HG13 VAL 95 HG13 VAL 95 -7.926 4.694 -7.565 728 HG21 VAL 95 HG21 VAL 95 -10.138 2.290 -5.861 729 HG22 VAL 95 HG22 VAL 95 -10.430 3.745 -4.909 730 HG23 VAL 95 HG23 VAL 95 -9.410 2.456 -4.264 731 H CYS 96 HN CYS 96 -8.286 0.578 -4.905 732 HA CYS 96 HA CYS 96 -9.072 -0.714 -7.420 733 HB2 CYS 96 HB2 CYS 96 -7.842 -1.877 -4.931 734 HB3 CYS 96 HB1 CYS 96 -8.824 -2.870 -6.001 735 H GLY 97 HN GLY 97 -10.947 -2.042 -7.306 736 HA2 GLY 97 HA2 GLY 97 -12.819 -1.071 -5.256 737 HA3 GLY 97 HA1 GLY 97 -13.278 -1.552 -6.885 738 H LYS 98 HN LYS 98 -10.945 -3.584 -5.926 739 HA LYS 98 HA LYS 98 -12.551 -5.419 -4.377 740 HB2 LYS 98 HB2 LYS 98 -12.900 -5.621 -7.013 741 HB3 LYS 98 HB1 LYS 98 -11.415 -6.531 -6.892 742 HG2 LYS 98 HG2 LYS 98 -13.994 -7.103 -5.459 743 HG3 LYS 98 HG1 LYS 98 -13.309 -8.011 -6.813 744 HD2 LYS 98 HD2 LYS 98 -12.372 -9.331 -5.258 745 HD3 LYS 98 HD1 LYS 98 -11.277 -7.985 -4.935 746 HE2 LYS 98 HE2 LYS 98 -12.254 -8.735 -2.864 747 HE3 LYS 98 HE1 LYS 98 -12.866 -7.130 -3.261 748 HZ1 LYS 98 HZ1 LYS 98 -14.889 -8.147 -4.103 749 HZ2 LYS 98 HZ2 LYS 98 -14.631 -8.583 -2.488 750 HZ3 LYS 98 HZ3 LYS 98 -14.302 -9.689 -3.724 751 H MET 99 HN MET 99 -11.238 -6.310 -2.921 752 HA MET 99 HA MET 99 -8.403 -6.650 -3.628 753 HB2 MET 99 HB2 MET 99 -9.233 -4.954 -1.732 754 HB3 MET 99 HB1 MET 99 -9.206 -6.420 -0.774 755 HG2 MET 99 HG2 MET 99 -6.806 -6.421 -2.174 756 HG3 MET 99 HG1 MET 99 -7.031 -4.758 -1.628 757 HE1 MET 99 HE1 MET 99 -7.274 -8.417 1.070 758 HE2 MET 99 HE2 MET 99 -6.528 -8.504 -0.527 759 HE3 MET 99 HE3 MET 99 -8.231 -8.061 -0.373 760 H LYS 100 HN LYS 100 -8.128 -8.726 -4.041 761 HA LYS 100 HA LYS 100 -9.747 -10.709 -2.641 762 HB2 LYS 100 HB2 LYS 100 -7.792 -11.163 -4.890 763 HB3 LYS 100 HB1 LYS 100 -9.047 -12.261 -4.329 764 HG2 LYS 100 HG2 LYS 100 -10.767 -10.857 -5.170 765 HG3 LYS 100 HG1 LYS 100 -9.624 -9.552 -5.498 766 HD2 LYS 100 HD2 LYS 100 -8.502 -10.985 -7.158 767 HD3 LYS 100 HD1 LYS 100 -9.701 -12.245 -6.857 768 HE2 LYS 100 HE2 LYS 100 -10.318 -9.466 -7.857 769 HE3 LYS 100 HE1 LYS 100 -10.201 -10.905 -8.871 770 HZ1 LYS 100 HZ1 LYS 100 -12.135 -10.545 -6.646 771 HZ2 LYS 100 HZ2 LYS 100 -12.051 -11.873 -7.690 772 HZ3 LYS 100 HZ3 LYS 100 -12.498 -10.355 -8.287 773 H GLY 101 HN GLY 101 -6.311 -10.584 -3.617 774 HA2 GLY 101 HA2 GLY 101 -5.652 -12.427 -1.469 775 HA3 GLY 101 HA1 GLY 101 -4.571 -11.871 -2.733 776 H LYS 102 HN LYS 102 -3.138 -10.367 -2.281 777 HA LYS 102 HA LYS 102 -1.686 -9.350 -0.792 778 HB2 LYS 102 HB2 LYS 102 -3.116 -7.125 -0.065 779 HB3 LYS 102 HB1 LYS 102 -2.208 -7.328 -1.557 780 HG2 LYS 102 HG2 LYS 102 -4.712 -8.482 -1.999 781 HG3 LYS 102 HG1 LYS 102 -4.998 -6.958 -1.166 782 HD2 LYS 102 HD2 LYS 102 -4.421 -5.762 -2.957 783 HD3 LYS 102 HD1 LYS 102 -2.969 -6.732 -3.229 784 HE2 LYS 102 HE2 LYS 102 -4.493 -6.907 -5.113 785 HE3 LYS 102 HE1 LYS 102 -4.325 -8.458 -4.290 786 HZ1 LYS 102 HZ1 LYS 102 -6.415 -7.978 -3.118 787 HZ2 LYS 102 HZ2 LYS 102 -6.627 -8.056 -4.793 788 HZ3 LYS 102 HZ3 LYS 102 -6.590 -6.556 -4.017 789 H GLY 103 HN GLY 103 -4.325 -7.896 0.891 790 HA2 GLY 103 HA2 GLY 103 -4.659 -9.589 3.070 791 HA3 GLY 103 HA1 GLY 103 -3.308 -8.524 3.443 792 H SER 104 HN SER 104 -6.028 -8.675 4.644 793 HA SER 104 HA SER 104 -6.706 -5.854 4.239 794 HB2 SER 104 HB2 SER 104 -8.621 -8.160 4.257 795 HB3 SER 104 HB1 SER 104 -9.127 -6.490 4.464 796 HG SER 104 HG SER 104 -8.470 -7.828 2.201 797 H CYS 105 HN CYS 105 -7.567 -4.773 5.979 798 HA CYS 105 HA CYS 105 -6.723 -5.480 8.538 799 HB2 CYS 105 HB2 CYS 105 -9.143 -3.786 8.357 800 HB3 CYS 105 HB1 CYS 105 -7.630 -3.494 9.194 801 H THR 106 HN THR 106 -8.513 -5.447 10.402 802 HA THR 106 HA THR 106 -9.819 -6.944 11.560 803 HB THR 106 HB THR 106 -11.490 -5.385 10.995 804 HG1 THR 106 HG1 THR 106 -12.899 -7.537 9.975 805 HG21 THR 106 HG21 THR 106 -11.663 -6.641 8.251 806 HG22 THR 106 HG22 THR 106 -10.941 -5.076 8.630 807 HG23 THR 106 HG23 THR 106 -12.674 -5.326 8.853 808 H ASP 107 HN ASP 107 -8.111 -8.232 9.565 809 HA ASP 107 HA ASP 107 -9.448 -10.797 9.513 810 HB2 ASP 107 HB2 ASP 107 -8.650 -9.355 6.984 811 HB3 ASP 107 HB1 ASP 107 -8.860 -11.101 7.051 812 H GLY 108 HN GLY 108 -6.607 -8.954 8.421 813 HA2 GLY 108 HA2 GLY 108 -4.618 -9.940 9.856 814 HA3 GLY 108 HA1 GLY 108 -4.917 -11.307 8.794 815 H GLU 109 HN GLU 109 -4.590 -7.768 8.463 816 HA GLU 109 HA GLU 109 -3.619 -7.779 5.848 817 HB2 GLU 109 HB2 GLU 109 -2.789 -5.507 6.340 818 HB3 GLU 109 HB1 GLU 109 -4.435 -5.752 6.915 819 HG2 GLU 109 HG2 GLU 109 -3.586 -6.122 9.176 820 HG3 GLU 109 HG1 GLU 109 -1.943 -5.858 8.597 821 H GLU 110 HN GLU 110 -1.588 -7.873 4.943 822 HA GLU 110 HA GLU 110 0.715 -8.085 6.694 823 HB2 GLU 110 HB2 GLU 110 1.500 -10.152 5.562 824 HB3 GLU 110 HB1 GLU 110 0.067 -10.375 6.556 825 HG2 GLU 110 HG2 GLU 110 -1.299 -10.152 4.507 826 HG3 GLU 110 HG1 GLU 110 0.196 -10.148 3.579 827 H ILE 111 HN ILE 111 -0.226 -8.471 3.264 828 HA ILE 111 HA ILE 111 1.596 -6.329 2.572 829 HB ILE 111 HB ILE 111 2.698 -7.676 0.784 830 HG12 ILE 111 HG12 ILE 111 2.833 -10.212 1.593 831 HG13 ILE 111 HG11 ILE 111 1.210 -9.857 2.180 832 HG21 ILE 111 HG21 ILE 111 3.400 -8.731 3.491 833 HG22 ILE 111 HG22 ILE 111 3.611 -7.020 3.091 834 HG23 ILE 111 HG23 ILE 111 4.470 -8.262 2.164 835 HD11 ILE 111 HD11 ILE 111 0.926 -8.956 -0.289 836 HD12 ILE 111 HD12 ILE 111 0.717 -10.656 0.122 837 HD13 ILE 111 HD13 ILE 111 2.233 -10.105 -0.595 838 H PHE 112 HN PHE 112 1.695 -6.127 0.081 839 HA PHE 112 HA PHE 112 -1.061 -6.285 -0.927 840 HB2 PHE 112 HB2 PHE 112 -0.658 -4.026 -0.734 841 HB3 PHE 112 HB1 PHE 112 1.056 -4.187 -1.072 842 HD1 PHE 112 HD2 PHE 112 -2.204 -4.719 -2.834 843 HD2 PHE 112 HD1 PHE 112 1.803 -3.300 -3.030 844 HE1 PHE 112 HE2 PHE 112 -2.585 -3.966 -5.144 845 HE2 PHE 112 HE1 PHE 112 1.432 -2.543 -5.341 846 HZ PHE 112 HZ PHE 112 -0.769 -2.877 -6.402 847 H ARG 113 HN ARG 113 -0.626 -8.430 -1.810 848 HA ARG 113 HA ARG 113 1.304 -8.455 -4.000 849 HB2 ARG 113 HB2 ARG 113 0.953 -10.928 -3.968 850 HB3 ARG 113 HB1 ARG 113 1.604 -10.271 -2.479 851 HG2 ARG 113 HG2 ARG 113 -0.385 -10.580 -1.330 852 HG3 ARG 113 HG1 ARG 113 -1.329 -10.721 -2.815 853 HD2 ARG 113 HD2 ARG 113 0.760 -12.697 -1.953 854 HD3 ARG 113 HD1 ARG 113 -0.956 -12.862 -1.583 855 HE ARG 113 HE ARG 113 -0.348 -12.528 -4.387 856 HH11 ARG 113 HH11 ARG 113 -0.827 -14.786 -1.775 857 HH12 ARG 113 HH12 ARG 113 -1.232 -16.106 -2.820 858 HH21 ARG 113 HH21 ARG 113 -0.885 -14.263 -5.770 859 HH22 ARG 113 HH22 ARG 113 -1.263 -15.810 -5.089 860 H GLY 114 HN GLY 114 0.708 -8.254 -5.994 861 HA2 GLY 114 HA2 GLY 114 -1.560 -7.409 -7.056 862 HA3 GLY 114 HA1 GLY 114 -0.506 -8.486 -7.945 863 H ASN 115 HN ASN 115 -3.511 -8.104 -6.327 864 HA ASN 115 HA ASN 115 -4.620 -10.373 -7.682 865 HB2 ASN 115 HB2 ASN 115 -4.153 -10.442 -4.737 866 HB3 ASN 115 HB1 ASN 115 -5.580 -11.223 -5.403 867 HD21 ASN 115 HD21 ASN 115 -2.160 -11.334 -5.039 868 HD22 ASN 115 HD22 ASN 115 -1.915 -12.886 -5.758 869 H ASP 116 HN ASP 116 -4.958 -7.405 -7.335 870 HA ASP 116 HA ASP 116 -7.632 -7.257 -6.159 871 HB2 ASP 116 HB2 ASP 116 -7.209 -4.726 -6.803 872 HB3 ASP 116 HB1 ASP 116 -6.524 -5.416 -5.339 873 H ALA 117 HN ALA 117 -9.280 -6.010 -7.236 874 HA ALA 117 HA ALA 117 -9.160 -6.058 -10.175 875 HB1 ALA 117 HB1 ALA 117 -11.575 -6.943 -8.600 876 HB2 ALA 117 HB2 ALA 117 -10.365 -8.071 -9.231 877 HB3 ALA 117 HB3 ALA 117 -11.301 -7.071 -10.343 878 H GLU 118 HN GLU 118 -11.000 -4.819 -11.135 879 HA GLU 118 HA GLU 118 -12.014 -2.797 -11.421 880 HB2 GLU 118 HB2 GLU 118 -12.745 -3.476 -8.569 881 HB3 GLU 118 HB1 GLU 118 -13.457 -2.126 -9.453 882 HG2 GLU 118 HG2 GLU 118 -13.640 -5.042 -10.179 883 HG3 GLU 118 HG1 GLU 118 -14.923 -4.049 -9.489 884 H CYS 119 HN CYS 119 -9.488 -2.139 -11.301 885 HA CYS 119 HA CYS 119 -9.313 -0.066 -9.199 886 HB2 CYS 119 HB2 CYS 119 -6.870 -1.183 -10.520 887 HB3 CYS 119 HB1 CYS 119 -7.022 -0.379 -8.969 888 H ARG 120 HN ARG 120 -8.523 1.902 -9.645 889 HA ARG 120 HA ARG 120 -7.806 2.635 -12.371 890 HB2 ARG 120 HB2 ARG 120 -9.403 4.310 -12.514 891 HB3 ARG 120 HB1 ARG 120 -10.291 2.990 -11.772 892 HG2 ARG 120 HG2 ARG 120 -10.882 4.393 -10.182 893 HG3 ARG 120 HG1 ARG 120 -9.203 4.370 -9.647 894 HD2 ARG 120 HD2 ARG 120 -9.735 6.645 -9.943 895 HD3 ARG 120 HD1 ARG 120 -8.766 6.176 -11.341 896 HE ARG 120 HE ARG 120 -11.483 5.854 -11.964 897 HH11 ARG 120 HH11 ARG 120 -9.157 8.375 -11.352 898 HH12 ARG 120 HH12 ARG 120 -9.960 9.537 -12.356 899 HH21 ARG 120 HH21 ARG 120 -12.545 7.377 -13.288 900 HH22 ARG 120 HH22 ARG 120 -11.886 8.969 -13.456 901 HA PRO 121 HA PRO 121 -4.781 5.139 -10.333 902 HB2 PRO 121 HB2 PRO 121 -4.565 7.310 -11.880 903 HB3 PRO 121 HB1 PRO 121 -4.056 5.710 -12.445 904 HG2 PRO 121 HG2 PRO 121 -6.649 7.128 -12.941 905 HG3 PRO 121 HG1 PRO 121 -5.571 6.350 -14.116 906 HD2 PRO 121 HD2 PRO 121 -7.739 5.083 -13.171 907 HD3 PRO 121 HD1 PRO 121 -6.222 4.213 -13.478 908 H PHE 122 HN PHE 122 -4.968 6.228 -8.488 909 HA PHE 122 HA PHE 122 -7.087 8.251 -8.252 910 HB2 PHE 122 HB2 PHE 122 -6.545 6.013 -6.668 911 HB3 PHE 122 HB1 PHE 122 -5.948 7.371 -5.733 912 HD1 PHE 122 HD2 PHE 122 -8.860 7.492 -8.031 913 HD2 PHE 122 HD1 PHE 122 -7.500 7.381 -4.006 914 HE1 PHE 122 HE2 PHE 122 -11.134 8.022 -7.252 915 HE2 PHE 122 HE1 PHE 122 -9.762 7.906 -3.216 916 HZ PHE 122 HZ PHE 122 -11.589 8.233 -4.840 917 H THR 123 HN THR 123 -6.655 10.247 -7.383 918 HA THR 123 HA THR 123 -3.832 10.840 -6.795 919 HB THR 123 HB THR 123 -4.119 13.053 -7.860 920 HG1 THR 123 HG1 THR 123 -5.964 13.401 -9.151 921 HG21 THR 123 HG21 THR 123 -3.963 12.290 -10.146 922 HG22 THR 123 HG22 THR 123 -4.731 10.762 -9.720 923 HG23 THR 123 HG23 THR 123 -3.135 11.155 -9.084 924 H GLY 124 HN GLY 124 -3.816 11.179 -4.678 925 HA2 GLY 124 HA2 GLY 124 -5.979 12.219 -3.176 926 HA3 GLY 124 HA1 GLY 124 -4.333 12.007 -2.607 Start of MODEL 16 1 H1 HIS 6 HT1 HIS 6 -19.335 6.700 -3.270 2 H2 HIS 6 HT2 HIS 6 -20.906 7.088 -3.761 3 H3 HIS 6 HT3 HIS 6 -20.245 5.582 -4.157 4 HA HIS 6 HA HIS 6 -20.855 6.543 -1.423 5 HB2 HIS 6 HB2 HIS 6 -22.216 4.446 -3.132 6 HB3 HIS 6 HB1 HIS 6 -22.608 4.798 -1.452 7 HD1 HIS 6 HD1 HIS 6 -24.420 6.452 -1.105 8 HD2 HIS 6 HD2 HIS 6 -22.692 6.808 -4.868 9 HE1 HIS 6 HE1 HIS 6 -25.785 8.188 -2.308 10 HE2 HIS 6 HE2 HIS 6 -24.774 8.323 -4.613 11 H ARG 7 HN ARG 7 -19.477 4.097 -3.516 12 HA ARG 7 HA ARG 7 -18.927 2.211 -1.456 13 HB2 ARG 7 HB2 ARG 7 -19.031 1.261 -3.574 14 HB3 ARG 7 HB1 ARG 7 -18.082 2.540 -4.311 15 HG2 ARG 7 HG2 ARG 7 -16.824 0.488 -4.276 16 HG3 ARG 7 HG1 ARG 7 -16.080 1.658 -3.192 17 HD2 ARG 7 HD2 ARG 7 -16.123 -0.561 -2.190 18 HD3 ARG 7 HD1 ARG 7 -17.116 0.570 -1.279 19 HE ARG 7 HE ARG 7 -18.933 -0.728 -1.743 20 HH11 ARG 7 HH11 ARG 7 -16.426 -1.472 -4.048 21 HH12 ARG 7 HH12 ARG 7 -17.293 -2.794 -4.756 22 HH21 ARG 7 HH21 ARG 7 -20.079 -2.464 -2.671 23 HH22 ARG 7 HH22 ARG 7 -19.368 -3.359 -3.974 24 H SER 8 HN SER 8 -17.546 5.190 -2.226 25 HA SER 8 HA SER 8 -14.853 4.974 -1.907 26 HB2 SER 8 HB2 SER 8 -16.576 7.037 -0.501 27 HB3 SER 8 HB1 SER 8 -14.856 7.196 -0.868 28 HG SER 8 HG SER 8 -16.277 8.234 -2.398 29 H ALA 9 HN ALA 9 -13.973 3.501 -0.649 30 HA ALA 9 HA ALA 9 -14.919 2.696 1.884 31 HB1 ALA 9 HB1 ALA 9 -13.648 1.214 0.491 32 HB2 ALA 9 HB2 ALA 9 -12.773 1.478 2.003 33 HB3 ALA 9 HB3 ALA 9 -12.270 2.318 0.536 34 H ASN 10 HN ASN 10 -13.467 5.460 1.033 35 HA ASN 10 HA ASN 10 -12.899 7.266 2.362 36 HB2 ASN 10 HB2 ASN 10 -12.334 5.281 4.580 37 HB3 ASN 10 HB1 ASN 10 -12.324 7.036 4.724 38 HD21 ASN 10 HD21 ASN 10 -13.925 5.017 6.117 39 HD22 ASN 10 HD22 ASN 10 -15.573 5.451 5.836 40 H LEU 11 HN LEU 11 -11.386 5.868 0.528 41 HA LEU 11 HA LEU 11 -8.819 5.102 1.136 42 HB2 LEU 11 HB2 LEU 11 -9.560 6.876 -1.180 43 HB3 LEU 11 HB1 LEU 11 -8.244 5.733 -1.099 44 HG LEU 11 HG LEU 11 -10.950 4.633 -0.735 45 HD11 LEU 11 HD11 LEU 11 -11.485 4.646 -3.064 46 HD12 LEU 11 HD12 LEU 11 -9.963 5.457 -3.449 47 HD13 LEU 11 HD13 LEU 11 -11.215 6.312 -2.541 48 HD21 LEU 11 HD21 LEU 11 -8.703 3.703 -2.495 49 HD22 LEU 11 HD22 LEU 11 -10.056 2.761 -1.864 50 HD23 LEU 11 HD23 LEU 11 -8.790 3.330 -0.774 51 H ARG 12 HN ARG 12 -10.222 8.230 1.185 52 HA ARG 12 HA ARG 12 -8.079 9.920 0.846 53 HB2 ARG 12 HB2 ARG 12 -9.951 10.752 2.959 54 HB3 ARG 12 HB1 ARG 12 -9.496 11.566 1.470 55 HG2 ARG 12 HG2 ARG 12 -11.546 9.390 1.808 56 HG3 ARG 12 HG1 ARG 12 -11.826 11.075 1.371 57 HD2 ARG 12 HD2 ARG 12 -10.291 9.073 -0.295 58 HD3 ARG 12 HD1 ARG 12 -11.975 9.532 -0.559 59 HE ARG 12 HE ARG 12 -10.047 11.704 -0.568 60 HH11 ARG 12 HH11 ARG 12 -11.919 9.426 -2.427 61 HH12 ARG 12 HH12 ARG 12 -11.774 10.318 -3.904 62 HH21 ARG 12 HH21 ARG 12 -9.849 12.882 -2.511 63 HH22 ARG 12 HH22 ARG 12 -10.597 12.281 -3.953 64 H ALA 13 HN ALA 13 -9.020 8.147 3.731 65 HA ALA 13 HA ALA 13 -7.182 9.410 5.487 66 HB1 ALA 13 HB1 ALA 13 -7.487 7.430 6.913 67 HB2 ALA 13 HB2 ALA 13 -8.361 6.637 5.600 68 HB3 ALA 13 HB3 ALA 13 -9.027 8.087 6.354 69 H ALA 14 HN ALA 14 -7.055 6.631 3.392 70 HA ALA 14 HA ALA 14 -4.442 5.790 4.143 71 HB1 ALA 14 HB1 ALA 14 -5.875 5.158 1.571 72 HB2 ALA 14 HB2 ALA 14 -6.275 4.385 3.114 73 HB3 ALA 14 HB3 ALA 14 -4.666 4.188 2.418 74 H HIS 15 HN HIS 15 -5.777 7.808 1.611 75 HA HIS 15 HA HIS 15 -3.678 8.042 -0.103 76 HB2 HIS 15 HB2 HIS 15 -6.028 9.580 0.608 77 HB3 HIS 15 HB1 HIS 15 -4.691 10.641 0.202 78 HD1 HIS 15 HD1 HIS 15 -3.397 9.575 -2.128 79 HD2 HIS 15 HD2 HIS 15 -7.489 9.067 -1.600 80 HE1 HIS 15 HE1 HIS 15 -4.324 9.142 -4.412 81 HE2 HIS 15 HE2 HIS 15 -6.808 9.135 -4.095 82 H ALA 16 HN ALA 16 -4.143 9.430 3.073 83 HA ALA 16 HA ALA 16 -1.724 11.014 2.928 84 HB1 ALA 16 HB1 ALA 16 -2.260 11.689 5.213 85 HB2 ALA 16 HB2 ALA 16 -3.587 10.527 5.250 86 HB3 ALA 16 HB3 ALA 16 -3.649 11.901 4.145 87 H ALA 17 HN ALA 17 -2.741 7.895 4.063 88 HA ALA 17 HA ALA 17 -0.518 7.461 5.816 89 HB1 ALA 17 HB1 ALA 17 -2.535 6.219 6.187 90 HB2 ALA 17 HB2 ALA 17 -1.230 5.102 5.779 91 HB3 ALA 17 HB3 ALA 17 -2.449 5.524 4.567 92 H LEU 18 HN LEU 18 -1.382 5.963 2.672 93 HA LEU 18 HA LEU 18 1.107 4.802 2.172 94 HB2 LEU 18 HB2 LEU 18 -0.871 5.928 0.180 95 HB3 LEU 18 HB1 LEU 18 0.459 4.866 -0.228 96 HG LEU 18 HG LEU 18 -1.092 3.253 -0.133 97 HD11 LEU 18 HD11 LEU 18 0.205 2.802 1.898 98 HD12 LEU 18 HD12 LEU 18 -1.459 2.228 2.009 99 HD13 LEU 18 HD13 LEU 18 -0.981 3.712 2.834 100 HD21 LEU 18 HD21 LEU 18 -2.736 5.191 0.026 101 HD22 LEU 18 HD22 LEU 18 -2.841 4.781 1.745 102 HD23 LEU 18 HD23 LEU 18 -3.289 3.587 0.523 103 H LEU 19 HN LEU 19 -0.030 8.033 1.955 104 HA LEU 19 HA LEU 19 2.175 9.089 0.444 105 HB2 LEU 19 HB2 LEU 19 0.198 10.379 0.386 106 HB3 LEU 19 HB1 LEU 19 -0.046 10.248 2.111 107 HG LEU 19 HG LEU 19 0.683 12.512 1.080 108 HD11 LEU 19 HD11 LEU 19 0.470 12.003 3.476 109 HD12 LEU 19 HD12 LEU 19 1.808 13.102 3.132 110 HD13 LEU 19 HD13 LEU 19 2.127 11.400 3.473 111 HD21 LEU 19 HD21 LEU 19 2.649 11.318 -0.079 112 HD22 LEU 19 HD22 LEU 19 3.420 11.391 1.505 113 HD23 LEU 19 HD23 LEU 19 2.943 12.880 0.688 114 H GLU 20 HN GLU 20 1.157 8.936 3.790 115 HA GLU 20 HA GLU 20 3.267 10.145 5.094 116 HB2 GLU 20 HB2 GLU 20 1.135 9.375 6.135 117 HB3 GLU 20 HB1 GLU 20 1.719 7.726 6.014 118 HG2 GLU 20 HG2 GLU 20 3.476 9.625 7.400 119 HG3 GLU 20 HG1 GLU 20 1.954 9.226 8.197 120 H ASN 21 HN ASN 21 2.955 7.042 3.619 121 HA ASN 21 HA ASN 21 5.462 6.034 4.640 122 HB2 ASN 21 HB2 ASN 21 4.121 4.209 4.272 123 HB3 ASN 21 HB1 ASN 21 3.243 4.981 2.958 124 HD21 ASN 21 HD21 ASN 21 4.043 4.873 0.879 125 HD22 ASN 21 HD22 ASN 21 5.292 3.767 0.427 126 H ALA 22 HN ALA 22 4.060 7.085 1.581 127 HA ALA 22 HA ALA 22 6.093 6.767 -0.188 128 HB1 ALA 22 HB1 ALA 22 5.170 8.612 -1.459 129 HB2 ALA 22 HB2 ALA 22 4.349 9.224 -0.023 130 HB3 ALA 22 HB3 ALA 22 3.861 7.681 -0.728 131 H ARG 23 HN ARG 23 5.845 9.293 2.261 132 HA ARG 23 HA ARG 23 8.140 10.741 1.305 133 HB2 ARG 23 HB2 ARG 23 7.974 11.930 3.485 134 HB3 ARG 23 HB1 ARG 23 6.455 11.916 2.598 135 HG2 ARG 23 HG2 ARG 23 5.602 10.159 4.027 136 HG3 ARG 23 HG1 ARG 23 7.147 10.071 4.875 137 HD2 ARG 23 HD2 ARG 23 5.521 11.352 6.153 138 HD3 ARG 23 HD1 ARG 23 6.863 12.372 5.636 139 HE ARG 23 HE ARG 23 4.568 12.405 3.883 140 HH11 ARG 23 HH11 ARG 23 6.148 13.865 6.625 141 HH12 ARG 23 HH12 ARG 23 5.309 15.372 6.468 142 HH21 ARG 23 HH21 ARG 23 3.460 14.385 3.668 143 HH22 ARG 23 HH22 ARG 23 3.779 15.667 4.788 144 H PHE 24 HN PHE 24 7.471 8.443 3.910 145 HA PHE 24 HA PHE 24 10.104 8.262 4.886 146 HB2 PHE 24 HB2 PHE 24 7.581 6.818 5.210 147 HB3 PHE 24 HB1 PHE 24 8.983 5.767 5.325 148 HD1 PHE 24 HD2 PHE 24 10.800 6.386 6.987 149 HD2 PHE 24 HD1 PHE 24 6.937 8.167 6.993 150 HE1 PHE 24 HE2 PHE 24 11.143 7.108 9.314 151 HE2 PHE 24 HE1 PHE 24 7.271 8.894 9.320 152 HZ PHE 24 HZ PHE 24 9.377 8.364 10.483 153 H MET 25 HN MET 25 8.529 7.087 2.089 154 HA MET 25 HA MET 25 10.408 5.002 1.442 155 HB2 MET 25 HB2 MET 25 8.344 6.454 -0.249 156 HB3 MET 25 HB1 MET 25 9.280 5.072 -0.792 157 HG2 MET 25 HG2 MET 25 7.246 5.103 1.421 158 HG3 MET 25 HG1 MET 25 7.038 4.418 -0.184 159 HE1 MET 25 HE1 MET 25 8.145 4.220 3.248 160 HE2 MET 25 HE2 MET 25 9.839 3.868 2.892 161 HE3 MET 25 HE3 MET 25 8.781 2.593 3.506 162 H GLU 26 HN GLU 26 9.615 8.238 0.353 163 HA GLU 26 HA GLU 26 11.710 8.691 -1.417 164 HB2 GLU 26 HB2 GLU 26 9.765 10.302 0.128 165 HB3 GLU 26 HB1 GLU 26 11.196 11.165 -0.386 166 HG2 GLU 26 HG2 GLU 26 10.722 10.372 -2.714 167 HG3 GLU 26 HG1 GLU 26 9.188 9.756 -2.106 168 H GLN 27 HN GLN 27 11.557 8.616 2.026 169 HA GLN 27 HA GLN 27 14.077 9.969 2.424 170 HB2 GLN 27 HB2 GLN 27 12.096 8.705 4.264 171 HB3 GLN 27 HB1 GLN 27 13.657 9.251 4.836 172 HG2 GLN 27 HG2 GLN 27 11.732 11.019 3.381 173 HG3 GLN 27 HG1 GLN 27 11.747 10.847 5.132 174 HE21 GLN 27 HE21 GLN 27 12.263 13.005 5.451 175 HE22 GLN 27 HE22 GLN 27 13.832 13.642 5.111 176 H PHE 28 HN PHE 28 12.781 6.687 2.910 177 HA PHE 28 HA PHE 28 15.053 5.443 3.848 178 HB2 PHE 28 HB2 PHE 28 12.812 4.358 3.577 179 HB3 PHE 28 HB1 PHE 28 13.138 4.237 1.854 180 HD1 PHE 28 HD1 PHE 28 14.792 2.670 1.000 181 HD2 PHE 28 HD2 PHE 28 13.950 2.940 5.163 182 HE1 PHE 28 HE1 PHE 28 15.947 0.528 1.367 183 HE2 PHE 28 HE2 PHE 28 15.105 0.799 5.538 184 HZ PHE 28 HZ PHE 28 16.106 -0.408 3.638 185 H TYR 29 HN TYR 29 14.136 6.278 0.570 186 HA TYR 29 HA TYR 29 16.420 5.104 -0.691 187 HB2 TYR 29 HB2 TYR 29 14.386 5.521 -1.978 188 HB3 TYR 29 HB1 TYR 29 14.460 7.236 -1.603 189 HD1 TYR 29 HD1 TYR 29 15.952 4.531 -3.598 190 HD2 TYR 29 HD2 TYR 29 15.933 8.710 -2.805 191 HE1 TYR 29 HE1 TYR 29 17.259 4.920 -5.644 192 HE2 TYR 29 HE2 TYR 29 17.239 9.111 -4.847 193 HH TYR 29 HH TYR 29 17.684 6.753 -7.238 194 H ALA 30 HN ALA 30 15.501 8.306 0.486 195 HA ALA 30 HA ALA 30 17.803 9.695 -0.383 196 HB1 ALA 30 HB1 ALA 30 15.838 10.218 1.843 197 HB2 ALA 30 HB2 ALA 30 15.875 10.947 0.238 198 HB3 ALA 30 HB3 ALA 30 17.132 11.337 1.410 199 H LYS 31 HN LYS 31 17.319 7.381 2.041 200 HA LYS 31 HA LYS 31 19.741 8.160 3.503 201 HB2 LYS 31 HB2 LYS 31 17.597 6.158 4.247 202 HB3 LYS 31 HB1 LYS 31 18.958 6.631 5.254 203 HG2 LYS 31 HG2 LYS 31 18.012 8.599 5.854 204 HG3 LYS 31 HG1 LYS 31 17.173 8.792 4.314 205 HD2 LYS 31 HD2 LYS 31 15.513 7.172 4.947 206 HD3 LYS 31 HD1 LYS 31 16.404 6.773 6.420 207 HE2 LYS 31 HE2 LYS 31 15.196 9.462 5.785 208 HE3 LYS 31 HE1 LYS 31 14.469 8.247 6.835 209 HZ1 LYS 31 HZ1 LYS 31 16.352 8.427 8.318 210 HZ2 LYS 31 HZ2 LYS 31 15.665 9.955 8.085 211 HZ3 LYS 31 HZ3 LYS 31 17.102 9.545 7.294 212 H LYS 32 HN LYS 32 18.345 5.758 1.446 213 HA LYS 32 HA LYS 32 20.769 4.109 1.680 214 HB2 LYS 32 HB2 LYS 32 17.891 3.416 1.405 215 HB3 LYS 32 HB1 LYS 32 19.061 2.375 0.620 216 HG2 LYS 32 HG2 LYS 32 19.472 3.106 3.470 217 HG3 LYS 32 HG1 LYS 32 18.248 1.905 3.061 218 HD2 LYS 32 HD2 LYS 32 19.958 0.617 1.841 219 HD3 LYS 32 HD1 LYS 32 21.174 1.797 2.337 220 HE2 LYS 32 HE2 LYS 32 19.536 0.025 4.147 221 HE3 LYS 32 HE1 LYS 32 21.255 -0.139 3.791 222 HZ1 LYS 32 HZ1 LYS 32 19.988 2.154 5.191 223 HZ2 LYS 32 HZ2 LYS 32 21.636 2.009 4.841 224 HZ3 LYS 32 HZ3 LYS 32 20.904 0.932 5.920 225 H GLY 33 HN GLY 33 18.167 3.983 -0.687 226 HA2 GLY 33 HA2 GLY 33 18.702 5.263 -2.858 227 HA3 GLY 33 HA1 GLY 33 20.166 4.287 -2.823 228 H SER 34 HN SER 34 18.118 2.302 -1.454 229 HA SER 34 HA SER 34 16.512 1.402 -3.651 230 HB2 SER 34 HB2 SER 34 18.870 -0.312 -2.824 231 HB3 SER 34 HB1 SER 34 17.609 -0.767 -3.970 232 HG SER 34 HG SER 34 18.403 0.634 -5.426 233 H PHE 35 HN PHE 35 15.073 -0.307 -3.033 234 HA PHE 35 HA PHE 35 14.787 -0.473 -0.136 235 HB2 PHE 35 HB2 PHE 35 12.928 -0.580 -2.410 236 HB3 PHE 35 HB1 PHE 35 12.530 -1.673 -1.084 237 HD1 PHE 35 HD1 PHE 35 13.567 1.848 -1.685 238 HD2 PHE 35 HD2 PHE 35 11.307 -0.866 0.684 239 HE1 PHE 35 HE1 PHE 35 12.659 3.737 -0.400 240 HE2 PHE 35 HE2 PHE 35 10.390 1.018 1.973 241 HZ PHE 35 HZ PHE 35 11.069 3.323 1.430 242 H LYS 36 HN LYS 36 13.605 -3.037 -2.316 243 HA LYS 36 HA LYS 36 14.621 -5.041 -0.581 244 HB2 LYS 36 HB2 LYS 36 12.894 -5.114 -2.710 245 HB3 LYS 36 HB1 LYS 36 14.339 -5.854 -3.375 246 HG2 LYS 36 HG2 LYS 36 14.373 -7.430 -1.467 247 HG3 LYS 36 HG1 LYS 36 12.819 -6.763 -0.959 248 HD2 LYS 36 HD2 LYS 36 12.567 -8.836 -2.275 249 HD3 LYS 36 HD1 LYS 36 11.799 -7.449 -3.043 250 HE2 LYS 36 HE2 LYS 36 13.715 -7.203 -4.538 251 HE3 LYS 36 HE1 LYS 36 14.498 -8.578 -3.765 252 HZ1 LYS 36 HZ1 LYS 36 12.682 -9.987 -4.508 253 HZ2 LYS 36 HZ2 LYS 36 13.416 -9.219 -5.824 254 HZ3 LYS 36 HZ3 LYS 36 11.926 -8.665 -5.245 255 H LEU 37 HN LEU 37 16.300 -6.478 -0.902 256 HA LEU 37 HA LEU 37 18.527 -5.359 -2.469 257 HB2 LEU 37 HB2 LEU 37 19.804 -6.759 -0.611 258 HB3 LEU 37 HB1 LEU 37 19.287 -5.106 -0.333 259 HG LEU 37 HG LEU 37 17.268 -5.934 0.842 260 HD11 LEU 37 HD11 LEU 37 18.250 -8.483 -0.195 261 HD12 LEU 37 HD12 LEU 37 16.603 -7.894 0.103 262 HD13 LEU 37 HD13 LEU 37 17.600 -8.486 1.445 263 HD21 LEU 37 HD21 LEU 37 19.792 -7.196 1.914 264 HD22 LEU 37 HD22 LEU 37 18.370 -6.707 2.836 265 HD23 LEU 37 HD23 LEU 37 19.387 -5.487 2.069 266 H THR 38 HN THR 38 16.684 -8.167 -1.634 267 HA THR 38 HA THR 38 17.953 -9.708 -3.753 268 HB THR 38 HB THR 38 19.131 -10.192 -1.514 269 HG1 THR 38 HG1 THR 38 18.343 -12.656 -2.141 270 HG21 THR 38 HG21 THR 38 16.566 -11.713 -1.018 271 HG22 THR 38 HG22 THR 38 17.018 -10.226 -0.184 272 HG23 THR 38 HG23 THR 38 17.997 -11.683 0.017 273 H SER 39 HN SER 39 16.680 -11.591 -4.353 274 HA SER 39 HA SER 39 13.899 -11.132 -4.239 275 HB2 SER 39 HB2 SER 39 15.297 -13.712 -4.979 276 HB3 SER 39 HB1 SER 39 13.659 -13.228 -5.423 277 HG SER 39 HG SER 39 15.950 -12.697 -6.685 278 H THR 40 HN THR 40 12.472 -11.672 -2.807 279 HA THR 40 HA THR 40 11.345 -12.783 -1.182 280 HB THR 40 HB THR 40 11.968 -14.837 -0.243 281 HG1 THR 40 HG1 THR 40 14.106 -15.644 -0.362 282 HG21 THR 40 HG21 THR 40 13.154 -14.826 -3.012 283 HG22 THR 40 HG22 THR 40 11.427 -14.886 -2.651 284 HG23 THR 40 HG23 THR 40 12.482 -16.211 -2.150 285 H LYS 41 HN LYS 41 12.657 -10.423 -0.725 286 HA LYS 41 HA LYS 41 13.383 -10.720 2.114 287 HB2 LYS 41 HB2 LYS 41 15.281 -9.988 0.587 288 HB3 LYS 41 HB1 LYS 41 14.419 -8.472 0.374 289 HG2 LYS 41 HG2 LYS 41 14.868 -9.399 3.143 290 HG3 LYS 41 HG1 LYS 41 16.265 -8.838 2.243 291 HD2 LYS 41 HD2 LYS 41 13.844 -7.326 3.130 292 HD3 LYS 41 HD1 LYS 41 15.550 -6.909 3.296 293 HE2 LYS 41 HE2 LYS 41 15.580 -6.625 0.777 294 HE3 LYS 41 HE1 LYS 41 13.824 -6.716 0.841 295 HZ1 LYS 41 HZ1 LYS 41 15.554 -4.699 2.159 296 HZ2 LYS 41 HZ2 LYS 41 13.891 -4.837 2.432 297 HZ3 LYS 41 HZ3 LYS 41 14.464 -4.439 0.891 298 H TRP 42 HN TRP 42 12.671 -8.955 3.506 299 HA TRP 42 HA TRP 42 10.440 -7.462 2.309 300 HB2 TRP 42 HB2 TRP 42 10.370 -9.397 4.503 301 HB3 TRP 42 HB1 TRP 42 9.566 -7.872 4.848 302 HD1 TRP 42 HD1 TRP 42 8.848 -7.903 1.441 303 HE1 TRP 42 HE1 TRP 42 6.670 -9.117 0.858 304 HE3 TRP 42 HE3 TRP 42 8.221 -10.593 5.750 305 HZ2 TRP 42 HZ2 TRP 42 4.912 -10.938 2.040 306 HZ3 TRP 42 HZ3 TRP 42 6.247 -12.055 5.937 307 HH2 TRP 42 HH2 TRP 42 4.626 -12.225 4.117 308 HA PRO 43 HA PRO 43 12.735 -4.211 4.575 309 HB2 PRO 43 HB2 PRO 43 11.766 -2.213 2.961 310 HB3 PRO 43 HB1 PRO 43 13.232 -3.126 2.599 311 HG2 PRO 43 HG2 PRO 43 10.474 -3.448 1.500 312 HG3 PRO 43 HG1 PRO 43 12.038 -3.586 0.673 313 HD2 PRO 43 HD2 PRO 43 10.579 -5.749 1.447 314 HD3 PRO 43 HD1 PRO 43 12.360 -5.758 1.362 315 H GLU 44 HN GLU 44 11.744 -3.412 6.393 316 HA GLU 44 HA GLU 44 9.030 -3.728 6.872 317 HB2 GLU 44 HB2 GLU 44 10.764 -3.546 8.615 318 HB3 GLU 44 HB1 GLU 44 10.837 -1.821 8.304 319 HG2 GLU 44 HG2 GLU 44 8.142 -2.705 8.712 320 HG3 GLU 44 HG1 GLU 44 9.175 -3.129 10.070 321 H LEU 45 HN LEU 45 7.299 -2.419 7.002 322 HA LEU 45 HA LEU 45 7.314 -0.087 5.254 323 HB2 LEU 45 HB2 LEU 45 4.896 -0.270 5.325 324 HB3 LEU 45 HB1 LEU 45 5.613 -1.819 4.931 325 HG LEU 45 HG LEU 45 5.144 -1.489 7.774 326 HD11 LEU 45 HD11 LEU 45 3.282 -0.221 7.315 327 HD12 LEU 45 HD12 LEU 45 2.666 -1.865 7.504 328 HD13 LEU 45 HD13 LEU 45 2.874 -1.179 5.892 329 HD21 LEU 45 HD21 LEU 45 3.832 -3.678 7.176 330 HD22 LEU 45 HD22 LEU 45 5.596 -3.637 7.263 331 HD23 LEU 45 HD23 LEU 45 4.787 -3.545 5.700 332 HA PRO 46 HA PRO 46 7.032 2.748 8.653 333 HB2 PRO 46 HB2 PRO 46 5.824 4.812 7.121 334 HB3 PRO 46 HB1 PRO 46 7.541 4.585 7.452 335 HG2 PRO 46 HG2 PRO 46 6.297 4.334 4.964 336 HG3 PRO 46 HG1 PRO 46 7.919 3.761 5.380 337 HD2 PRO 46 HD2 PRO 46 5.371 2.253 5.154 338 HD3 PRO 46 HD1 PRO 46 7.034 1.720 4.834 339 H VAL 47 HN VAL 47 4.181 3.494 6.641 340 HA VAL 47 HA VAL 47 2.578 3.757 9.046 341 HB VAL 47 HB VAL 47 2.328 5.384 7.153 342 HG11 VAL 47 HG11 VAL 47 1.084 3.025 5.779 343 HG12 VAL 47 HG12 VAL 47 2.547 3.886 5.286 344 HG13 VAL 47 HG13 VAL 47 0.980 4.693 5.222 345 HG21 VAL 47 HG21 VAL 47 0.585 5.041 8.875 346 HG22 VAL 47 HG22 VAL 47 -0.193 3.872 7.806 347 HG23 VAL 47 HG23 VAL 47 -0.060 5.562 7.320 348 H LYS 48 HN LYS 48 1.020 2.415 9.712 349 HA LYS 48 HA LYS 48 0.466 0.022 8.093 350 HB2 LYS 48 HB2 LYS 48 0.419 0.060 11.100 351 HB3 LYS 48 HB1 LYS 48 0.453 -1.336 10.031 352 HG2 LYS 48 HG2 LYS 48 2.647 -1.422 10.300 353 HG3 LYS 48 HG1 LYS 48 2.775 0.125 9.461 354 HD2 LYS 48 HD2 LYS 48 2.381 -0.254 12.430 355 HD3 LYS 48 HD1 LYS 48 3.891 0.199 11.637 356 HE2 LYS 48 HE2 LYS 48 2.827 2.247 10.805 357 HE3 LYS 48 HE1 LYS 48 1.329 1.796 11.620 358 HZ1 LYS 48 HZ1 LYS 48 3.929 2.366 12.940 359 HZ2 LYS 48 HZ2 LYS 48 2.518 1.884 13.737 360 HZ3 LYS 48 HZ3 LYS 48 2.571 3.374 12.938 361 H GLU 49 HN GLU 49 -0.745 2.808 9.108 362 HA GLU 49 HA GLU 49 -3.460 2.019 8.759 363 HB2 GLU 49 HB2 GLU 49 -3.417 1.288 10.994 364 HB3 GLU 49 HB1 GLU 49 -2.496 2.688 11.525 365 HG2 GLU 49 HG2 GLU 49 -4.452 4.108 11.033 366 HG3 GLU 49 HG1 GLU 49 -5.365 2.656 10.616 367 H ALA 50 HN ALA 50 -4.695 3.667 8.179 368 HA ALA 50 HA ALA 50 -3.504 6.337 8.013 369 HB1 ALA 50 HB1 ALA 50 -4.247 6.085 5.916 370 HB2 ALA 50 HB2 ALA 50 -5.850 6.390 6.581 371 HB3 ALA 50 HB3 ALA 50 -5.289 4.733 6.356 372 H GLY 51 HN GLY 51 -6.825 5.219 8.185 373 HA2 GLY 51 HA2 GLY 51 -7.467 6.310 10.723 374 HA3 GLY 51 HA1 GLY 51 -7.959 7.412 9.437 375 H GLY 52 HN GLY 52 -8.431 5.387 7.518 376 HA2 GLY 52 HA2 GLY 52 -10.713 3.909 8.626 377 HA3 GLY 52 HA1 GLY 52 -10.864 4.826 7.135 378 H PHE 53 HN PHE 53 -7.838 3.934 7.008 379 HA PHE 53 HA PHE 53 -8.319 1.271 5.837 380 HB2 PHE 53 HB2 PHE 53 -6.852 3.636 4.748 381 HB3 PHE 53 HB1 PHE 53 -6.194 2.044 4.427 382 HD1 PHE 53 HD1 PHE 53 -9.718 3.277 4.503 383 HD2 PHE 53 HD2 PHE 53 -6.567 1.563 2.235 384 HE1 PHE 53 HE1 PHE 53 -11.230 3.032 2.591 385 HE2 PHE 53 HE2 PHE 53 -8.077 1.305 0.317 386 HZ PHE 53 HZ PHE 53 -10.417 2.043 0.495 387 H CYS 54 HN CYS 54 -6.342 -0.079 5.767 388 HA CYS 54 HA CYS 54 -4.414 0.628 7.862 389 HB2 CYS 54 HB2 CYS 54 -4.291 -1.683 8.580 390 HB3 CYS 54 HB1 CYS 54 -5.969 -1.166 8.635 391 H ILE 55 HN ILE 55 -2.281 0.207 7.394 392 HA ILE 55 HA ILE 55 -1.820 -0.501 4.582 393 HB ILE 55 HB ILE 55 -0.242 1.356 6.342 394 HG12 ILE 55 HG12 ILE 55 -1.138 2.995 4.531 395 HG13 ILE 55 HG11 ILE 55 -2.335 1.742 4.237 396 HG21 ILE 55 HG21 ILE 55 1.308 0.468 4.829 397 HG22 ILE 55 HG22 ILE 55 0.795 1.993 4.101 398 HG23 ILE 55 HG23 ILE 55 0.144 0.463 3.503 399 HD11 ILE 55 HD11 ILE 55 -3.275 1.975 6.350 400 HD12 ILE 55 HD12 ILE 55 -2.977 3.623 5.796 401 HD13 ILE 55 HD13 ILE 55 -1.888 2.876 6.964 402 H ARG 56 HN ARG 56 0.007 -1.553 3.948 403 HA ARG 56 HA ARG 56 1.816 -2.763 5.872 404 HB2 ARG 56 HB2 ARG 56 -0.241 -4.310 4.313 405 HB3 ARG 56 HB1 ARG 56 1.307 -5.044 4.700 406 HG2 ARG 56 HG2 ARG 56 -0.621 -3.916 6.715 407 HG3 ARG 56 HG1 ARG 56 -0.467 -5.622 6.294 408 HD2 ARG 56 HD2 ARG 56 1.837 -5.625 7.064 409 HD3 ARG 56 HD1 ARG 56 1.733 -3.904 7.430 410 HE ARG 56 HE ARG 56 -0.289 -5.244 8.832 411 HH11 ARG 56 HH11 ARG 56 3.183 -4.966 8.781 412 HH12 ARG 56 HH12 ARG 56 3.363 -5.290 10.473 413 HH21 ARG 56 HH21 ARG 56 -0.061 -5.670 11.064 414 HH22 ARG 56 HH22 ARG 56 1.521 -5.693 11.769 415 H MET 57 HN MET 57 3.665 -3.733 4.825 416 HA MET 57 HA MET 57 4.559 -2.304 2.592 417 HB2 MET 57 HB2 MET 57 5.931 -3.544 4.389 418 HB3 MET 57 HB1 MET 57 5.714 -4.962 3.369 419 HG2 MET 57 HG2 MET 57 6.540 -3.036 1.592 420 HG3 MET 57 HG1 MET 57 7.478 -2.680 3.045 421 HE1 MET 57 HE1 MET 57 7.459 -6.690 0.819 422 HE2 MET 57 HE2 MET 57 6.353 -5.347 0.545 423 HE3 MET 57 HE3 MET 57 6.217 -6.322 2.011 424 H SER 58 HN SER 58 5.105 -3.067 0.461 425 HA SER 58 HA SER 58 3.083 -4.119 -1.004 426 HB2 SER 58 HB2 SER 58 4.922 -3.072 -2.127 427 HB3 SER 58 HB1 SER 58 6.055 -4.295 -1.526 428 HG SER 58 HG SER 58 5.207 -4.493 -3.777 429 H GLY 59 HN GLY 59 3.301 -6.227 -2.384 430 HA2 GLY 59 HA2 GLY 59 2.394 -8.340 -0.979 431 HA3 GLY 59 HA1 GLY 59 3.164 -8.500 -2.535 432 H GLN 60 HN GLN 60 4.035 -10.429 -2.239 433 HA GLN 60 HA GLN 60 5.365 -11.334 0.078 434 HB2 GLN 60 HB2 GLN 60 6.283 -13.081 -1.615 435 HB3 GLN 60 HB1 GLN 60 4.572 -13.055 -1.221 436 HG2 GLN 60 HG2 GLN 60 4.205 -11.664 -3.252 437 HG3 GLN 60 HG1 GLN 60 5.896 -11.934 -3.667 438 HE21 GLN 60 HE21 GLN 60 3.866 -14.331 -2.139 439 HE22 GLN 60 HE22 GLN 60 3.790 -15.410 -3.486 440 H ALA 61 HN ALA 61 7.492 -11.619 0.555 441 HA ALA 61 HA ALA 61 9.328 -9.672 -0.027 442 HB1 ALA 61 HB1 ALA 61 10.104 -12.512 0.585 443 HB2 ALA 61 HB2 ALA 61 9.409 -11.425 1.789 444 HB3 ALA 61 HB3 ALA 61 10.949 -11.028 1.026 445 H LYS 62 HN LYS 62 8.542 -12.498 -1.907 446 HA LYS 62 HA LYS 62 10.892 -12.449 -3.538 447 HB2 LYS 62 HB2 LYS 62 9.748 -14.516 -3.323 448 HB3 LYS 62 HB1 LYS 62 8.222 -13.796 -3.786 449 HG2 LYS 62 HG2 LYS 62 8.728 -14.830 -5.734 450 HG3 LYS 62 HG1 LYS 62 9.559 -13.302 -6.022 451 HD2 LYS 62 HD2 LYS 62 11.046 -15.087 -6.610 452 HD3 LYS 62 HD1 LYS 62 11.638 -14.341 -5.125 453 HE2 LYS 62 HE2 LYS 62 10.665 -16.126 -3.803 454 HE3 LYS 62 HE1 LYS 62 9.974 -16.855 -5.257 455 HZ1 LYS 62 HZ1 LYS 62 12.871 -16.538 -4.677 456 HZ2 LYS 62 HZ2 LYS 62 12.226 -17.208 -6.089 457 HZ3 LYS 62 HZ3 LYS 62 11.997 -17.984 -4.604 458 H GLY 63 HN GLY 63 7.746 -10.972 -3.649 459 HA2 GLY 63 HA2 GLY 63 8.426 -9.651 -6.193 460 HA3 GLY 63 HA1 GLY 63 6.784 -10.007 -5.681 461 H ILE 64 HN ILE 64 9.646 -8.411 -4.329 462 HA ILE 64 HA ILE 64 7.844 -6.323 -3.338 463 HB ILE 64 HB ILE 64 10.418 -7.381 -2.240 464 HG12 ILE 64 HG12 ILE 64 8.809 -8.678 -1.330 465 HG13 ILE 64 HG11 ILE 64 8.720 -7.337 -0.197 466 HG21 ILE 64 HG21 ILE 64 10.079 -5.693 -0.406 467 HG22 ILE 64 HG22 ILE 64 9.008 -4.839 -1.518 468 HG23 ILE 64 HG23 ILE 64 10.709 -5.074 -1.934 469 HD11 ILE 64 HD11 ILE 64 6.897 -6.408 -1.725 470 HD12 ILE 64 HD12 ILE 64 6.513 -7.811 -0.729 471 HD13 ILE 64 HD13 ILE 64 6.866 -8.024 -2.451 472 H LEU 65 HN LEU 65 8.203 -4.300 -3.456 473 HA LEU 65 HA LEU 65 8.852 -3.004 -5.608 474 HB2 LEU 65 HB2 LEU 65 9.789 -1.209 -3.842 475 HB3 LEU 65 HB1 LEU 65 8.088 -1.518 -4.128 476 HG LEU 65 HG LEU 65 8.387 -3.268 -2.228 477 HD11 LEU 65 HD11 LEU 65 10.092 -2.620 -0.601 478 HD12 LEU 65 HD12 LEU 65 10.684 -1.391 -1.722 479 HD13 LEU 65 HD13 LEU 65 10.820 -3.101 -2.136 480 HD21 LEU 65 HD21 LEU 65 7.328 -0.813 -2.329 481 HD22 LEU 65 HD22 LEU 65 8.619 -0.533 -1.152 482 HD23 LEU 65 HD23 LEU 65 7.399 -1.772 -0.847 483 H GLU 66 HN GLU 66 10.477 -2.214 -6.746 484 HA GLU 66 HA GLU 66 13.198 -2.166 -5.750 485 HB2 GLU 66 HB2 GLU 66 12.250 -4.160 -7.761 486 HB3 GLU 66 HB1 GLU 66 13.831 -3.427 -8.005 487 HG2 GLU 66 HG2 GLU 66 13.112 -4.638 -5.366 488 HG3 GLU 66 HG1 GLU 66 13.659 -5.650 -6.706 489 H GLY 67 HN GLY 67 13.719 -0.146 -6.264 490 HA2 GLY 67 HA2 GLY 67 14.141 1.700 -7.610 491 HA3 GLY 67 HA1 GLY 67 13.544 0.775 -8.993 492 H LYS 68 HN LYS 68 11.398 0.372 -6.620 493 HA LYS 68 HA LYS 68 9.779 2.764 -7.105 494 HB2 LYS 68 HB2 LYS 68 8.021 1.649 -8.075 495 HB3 LYS 68 HB1 LYS 68 9.296 0.550 -8.597 496 HG2 LYS 68 HG2 LYS 68 8.855 -0.904 -6.704 497 HG3 LYS 68 HG1 LYS 68 7.616 0.202 -6.118 498 HD2 LYS 68 HD2 LYS 68 6.256 -0.232 -8.069 499 HD3 LYS 68 HD1 LYS 68 7.526 -1.249 -8.761 500 HE2 LYS 68 HE2 LYS 68 7.349 -2.724 -6.770 501 HE3 LYS 68 HE1 LYS 68 5.978 -1.751 -6.220 502 HZ1 LYS 68 HZ1 LYS 68 4.801 -2.348 -8.256 503 HZ2 LYS 68 HZ2 LYS 68 5.232 -3.729 -7.380 504 HZ3 LYS 68 HZ3 LYS 68 6.109 -3.295 -8.759 505 H PHE 69 HN PHE 69 8.713 3.367 -5.212 506 HA PHE 69 HA PHE 69 8.609 1.304 -3.108 507 HB2 PHE 69 HB2 PHE 69 8.572 4.135 -2.243 508 HB3 PHE 69 HB1 PHE 69 9.349 2.736 -1.507 509 HD1 PHE 69 HD2 PHE 69 11.156 1.766 -3.544 510 HD2 PHE 69 HD1 PHE 69 10.151 5.762 -2.514 511 HE1 PHE 69 HE2 PHE 69 13.321 2.530 -4.424 512 HE2 PHE 69 HE1 PHE 69 12.312 6.539 -3.394 513 HZ PHE 69 HZ PHE 69 13.898 4.920 -4.352 514 H THR 70 HN THR 70 6.579 0.700 -2.619 515 HA THR 70 HA THR 70 4.450 2.703 -2.620 516 HB THR 70 HB THR 70 3.966 0.160 -4.154 517 HG1 THR 70 HG1 THR 70 5.365 0.971 -5.558 518 HG21 THR 70 HG21 THR 70 2.267 1.734 -5.272 519 HG22 THR 70 HG22 THR 70 2.630 2.886 -3.991 520 HG23 THR 70 HG23 THR 70 1.939 1.310 -3.593 521 H LEU 71 HN LEU 71 2.797 2.281 -1.265 522 HA LEU 71 HA LEU 71 2.696 -0.365 0.024 523 HB2 LEU 71 HB2 LEU 71 2.322 2.353 1.261 524 HB3 LEU 71 HB1 LEU 71 1.821 0.872 2.040 525 HG LEU 71 HG LEU 71 4.536 1.977 1.641 526 HD11 LEU 71 HD11 LEU 71 3.541 2.241 3.781 527 HD12 LEU 71 HD12 LEU 71 4.789 1.003 3.926 528 HD13 LEU 71 HD13 LEU 71 3.091 0.537 3.845 529 HD21 LEU 71 HD21 LEU 71 3.885 -0.946 1.602 530 HD22 LEU 71 HD22 LEU 71 5.418 -0.351 2.236 531 HD23 LEU 71 HD23 LEU 71 4.979 -0.042 0.557 532 H LYS 72 HN LYS 72 0.631 -1.206 0.427 533 HA LYS 72 HA LYS 72 -1.556 0.363 -0.766 534 HB2 LYS 72 HB2 LYS 72 -1.212 -1.666 -2.043 535 HB3 LYS 72 HB1 LYS 72 -1.278 -2.639 -0.577 536 HG2 LYS 72 HG2 LYS 72 -3.554 -2.405 -0.348 537 HG3 LYS 72 HG1 LYS 72 -3.602 -0.915 -1.288 538 HD2 LYS 72 HD2 LYS 72 -2.966 -3.610 -2.462 539 HD3 LYS 72 HD1 LYS 72 -4.589 -2.929 -2.415 540 HE2 LYS 72 HE2 LYS 72 -2.206 -1.635 -3.735 541 HE3 LYS 72 HE1 LYS 72 -3.447 -2.562 -4.577 542 HZ1 LYS 72 HZ1 LYS 72 -5.093 -0.960 -3.904 543 HZ2 LYS 72 HZ2 LYS 72 -3.825 -0.155 -4.683 544 HZ3 LYS 72 HZ3 LYS 72 -3.952 -0.098 -2.998 545 H ALA 73 HN ALA 73 -3.247 0.828 0.329 546 HA ALA 73 HA ALA 73 -3.427 -0.078 3.109 547 HB1 ALA 73 HB1 ALA 73 -4.798 2.278 1.832 548 HB2 ALA 73 HB2 ALA 73 -3.174 2.367 2.509 549 HB3 ALA 73 HB3 ALA 73 -4.548 1.972 3.554 550 H VAL 74 HN VAL 74 -5.419 -0.720 3.938 551 HA VAL 74 HA VAL 74 -7.518 -1.319 1.972 552 HB VAL 74 HB VAL 74 -6.223 -3.173 3.942 553 HG11 VAL 74 HG11 VAL 74 -8.580 -3.387 4.420 554 HG12 VAL 74 HG12 VAL 74 -8.071 -4.783 3.472 555 HG13 VAL 74 HG13 VAL 74 -8.962 -3.473 2.700 556 HG21 VAL 74 HG21 VAL 74 -5.825 -4.532 2.093 557 HG22 VAL 74 HG22 VAL 74 -5.566 -2.894 1.480 558 HG23 VAL 74 HG23 VAL 74 -7.075 -3.744 1.125 559 H ALA 75 HN ALA 75 -9.554 -0.904 2.637 560 HA ALA 75 HA ALA 75 -10.075 0.766 4.756 561 HB1 ALA 75 HB1 ALA 75 -11.709 0.636 3.095 562 HB2 ALA 75 HB2 ALA 75 -12.478 -0.075 4.516 563 HB3 ALA 75 HB3 ALA 75 -11.850 -1.122 3.238 564 H LEU 76 HN LEU 76 -10.692 0.553 6.836 565 HA LEU 76 HA LEU 76 -9.971 -1.835 8.204 566 HB2 LEU 76 HB2 LEU 76 -11.407 0.622 9.224 567 HB3 LEU 76 HB1 LEU 76 -10.623 -0.604 10.213 568 HG LEU 76 HG LEU 76 -9.138 1.028 8.172 569 HD11 LEU 76 HD11 LEU 76 -8.294 2.383 10.044 570 HD12 LEU 76 HD12 LEU 76 -9.474 1.608 11.107 571 HD13 LEU 76 HD13 LEU 76 -10.022 2.606 9.758 572 HD21 LEU 76 HD21 LEU 76 -7.173 0.316 9.403 573 HD22 LEU 76 HD22 LEU 76 -8.110 -1.086 8.878 574 HD23 LEU 76 HD23 LEU 76 -8.188 -0.550 10.557 575 H ASP 77 HN ASP 77 -12.857 -0.223 7.176 576 HA ASP 77 HA ASP 77 -14.542 -2.443 8.103 577 HB2 ASP 77 HB2 ASP 77 -15.586 -0.017 6.659 578 HB3 ASP 77 HB1 ASP 77 -16.419 -1.067 7.797 579 H ARG 78 HN ARG 78 -12.546 -2.553 5.916 580 HA ARG 78 HA ARG 78 -13.553 -2.377 3.379 581 HB2 ARG 78 HB2 ARG 78 -11.784 -3.686 2.680 582 HB3 ARG 78 HB1 ARG 78 -11.203 -2.973 4.167 583 HG2 ARG 78 HG2 ARG 78 -10.685 -5.009 4.862 584 HG3 ARG 78 HG1 ARG 78 -12.412 -5.384 4.908 585 HD2 ARG 78 HD2 ARG 78 -12.239 -5.871 2.443 586 HD3 ARG 78 HD1 ARG 78 -10.487 -5.782 2.633 587 HE ARG 78 HE ARG 78 -11.381 -7.576 4.538 588 HH11 ARG 78 HH11 ARG 78 -11.439 -7.314 1.064 589 HH12 ARG 78 HH12 ARG 78 -11.414 -9.026 0.806 590 HH21 ARG 78 HH21 ARG 78 -11.346 -9.831 4.209 591 HH22 ARG 78 HH22 ARG 78 -11.362 -10.458 2.594 592 H GLU 79 HN GLU 79 -14.248 -4.887 5.740 593 HA GLU 79 HA GLU 79 -15.250 -6.885 4.111 594 HB2 GLU 79 HB2 GLU 79 -16.667 -5.956 6.607 595 HB3 GLU 79 HB1 GLU 79 -16.599 -7.587 5.951 596 HG2 GLU 79 HG2 GLU 79 -14.182 -7.644 6.444 597 HG3 GLU 79 HG1 GLU 79 -14.330 -6.051 7.187 598 H ALA 80 HN ALA 80 -16.388 -3.774 4.835 599 HA ALA 80 HA ALA 80 -18.862 -4.100 3.324 600 HB1 ALA 80 HB1 ALA 80 -19.259 -3.159 5.461 601 HB2 ALA 80 HB2 ALA 80 -19.351 -1.816 4.320 602 HB3 ALA 80 HB3 ALA 80 -17.897 -2.044 5.303 603 H GLU 81 HN GLU 81 -15.720 -2.622 3.288 604 HA GLU 81 HA GLU 81 -16.376 -1.230 0.766 605 HB2 GLU 81 HB2 GLU 81 -14.226 -0.237 2.583 606 HB3 GLU 81 HB1 GLU 81 -15.180 0.639 1.394 607 HG2 GLU 81 HG2 GLU 81 -16.352 -0.438 3.937 608 HG3 GLU 81 HG1 GLU 81 -15.632 1.166 3.812 609 HA PRO 82 HA PRO 82 -13.026 -4.316 -0.154 610 HB2 PRO 82 HB2 PRO 82 -13.642 -4.328 -2.857 611 HB3 PRO 82 HB1 PRO 82 -14.261 -5.479 -1.672 612 HG2 PRO 82 HG2 PRO 82 -15.557 -3.071 -2.848 613 HG3 PRO 82 HG1 PRO 82 -16.281 -4.613 -2.358 614 HD2 PRO 82 HD2 PRO 82 -16.517 -2.347 -0.893 615 HD3 PRO 82 HD1 PRO 82 -16.477 -3.962 -0.159 616 H ARG 83 HN ARG 83 -13.751 -1.131 -1.234 617 HA ARG 83 HA ARG 83 -11.805 -0.686 -3.155 618 HB2 ARG 83 HB2 ARG 83 -13.280 1.037 -1.260 619 HB3 ARG 83 HB1 ARG 83 -11.823 1.716 -1.971 620 HG2 ARG 83 HG2 ARG 83 -12.715 1.215 -4.210 621 HG3 ARG 83 HG1 ARG 83 -14.196 0.615 -3.461 622 HD2 ARG 83 HD2 ARG 83 -14.598 2.807 -2.476 623 HD3 ARG 83 HD1 ARG 83 -13.104 3.415 -3.204 624 HE ARG 83 HE ARG 83 -15.022 2.313 -5.067 625 HH11 ARG 83 HH11 ARG 83 -13.870 5.167 -3.434 626 HH12 ARG 83 HH12 ARG 83 -14.536 6.260 -4.601 627 HH21 ARG 83 HH21 ARG 83 -15.904 3.745 -6.607 628 HH22 ARG 83 HH22 ARG 83 -15.693 5.452 -6.404 629 H VAL 84 HN VAL 84 -9.719 -0.452 -3.198 630 HA VAL 84 HA VAL 84 -8.203 -0.312 -0.670 631 HB VAL 84 HB VAL 84 -6.682 -1.505 -2.819 632 HG11 VAL 84 HG11 VAL 84 -7.037 -1.750 -0.028 633 HG12 VAL 84 HG12 VAL 84 -5.748 -2.404 -1.039 634 HG13 VAL 84 HG13 VAL 84 -7.212 -3.349 -0.750 635 HG21 VAL 84 HG21 VAL 84 -9.058 -3.144 -1.995 636 HG22 VAL 84 HG22 VAL 84 -7.854 -3.515 -3.231 637 HG23 VAL 84 HG23 VAL 84 -9.024 -2.217 -3.496 638 H LEU 85 HN LEU 85 -6.079 0.785 -0.866 639 HA LEU 85 HA LEU 85 -5.824 2.406 -3.309 640 HB2 LEU 85 HB2 LEU 85 -6.938 3.713 -1.474 641 HB3 LEU 85 HB1 LEU 85 -5.463 3.557 -0.548 642 HG LEU 85 HG LEU 85 -4.316 4.680 -2.570 643 HD11 LEU 85 HD11 LEU 85 -5.991 4.588 -4.239 644 HD12 LEU 85 HD12 LEU 85 -5.881 6.280 -3.744 645 HD13 LEU 85 HD13 LEU 85 -7.211 5.275 -3.157 646 HD21 LEU 85 HD21 LEU 85 -4.378 5.866 -0.558 647 HD22 LEU 85 HD22 LEU 85 -6.133 6.048 -0.609 648 HD23 LEU 85 HD23 LEU 85 -5.117 6.959 -1.730 649 H ARG 86 HN ARG 86 -3.728 3.411 -3.542 650 HA ARG 86 HA ARG 86 -1.528 2.343 -1.984 651 HB2 ARG 86 HB2 ARG 86 -0.818 0.812 -3.461 652 HB3 ARG 86 HB1 ARG 86 -2.257 1.079 -4.402 653 HG2 ARG 86 HG2 ARG 86 -1.139 2.736 -5.737 654 HG3 ARG 86 HG1 ARG 86 0.298 2.619 -4.722 655 HD2 ARG 86 HD2 ARG 86 0.596 0.292 -5.383 656 HD3 ARG 86 HD1 ARG 86 -0.868 0.370 -6.362 657 HE ARG 86 HE ARG 86 0.864 2.383 -7.227 658 HH11 ARG 86 HH11 ARG 86 0.687 -1.097 -7.152 659 HH12 ARG 86 HH12 ARG 86 1.649 -1.304 -8.578 660 HH21 ARG 86 HH21 ARG 86 2.131 2.117 -9.104 661 HH22 ARG 86 HH22 ARG 86 2.470 0.521 -9.684 662 H LEU 87 HN LEU 87 0.329 3.627 -2.143 663 HA LEU 87 HA LEU 87 0.336 5.808 -4.060 664 HB2 LEU 87 HB2 LEU 87 -0.921 6.585 -2.002 665 HB3 LEU 87 HB1 LEU 87 0.570 6.374 -1.115 666 HG LEU 87 HG LEU 87 1.626 8.174 -2.146 667 HD11 LEU 87 HD11 LEU 87 0.333 9.334 -4.111 668 HD12 LEU 87 HD12 LEU 87 -0.379 7.733 -4.313 669 HD13 LEU 87 HD13 LEU 87 1.368 7.941 -4.425 670 HD21 LEU 87 HD21 LEU 87 -0.215 8.786 -0.602 671 HD22 LEU 87 HD22 LEU 87 -1.273 8.986 -2.000 672 HD23 LEU 87 HD23 LEU 87 0.139 10.026 -1.806 673 H ASN 88 HN ASN 88 2.310 6.067 -4.826 674 HA ASN 88 HA ASN 88 4.495 4.742 -3.387 675 HB2 ASN 88 HB2 ASN 88 5.694 4.852 -5.579 676 HB3 ASN 88 HB1 ASN 88 4.200 3.921 -5.621 677 HD21 ASN 88 HD21 ASN 88 3.917 4.160 -7.809 678 HD22 ASN 88 HD22 ASN 88 3.483 5.664 -8.540 679 H GLU 89 HN GLU 89 6.729 5.806 -4.204 680 HA GLU 89 HA GLU 89 7.023 8.192 -2.744 681 HB2 GLU 89 HB2 GLU 89 9.299 8.150 -3.428 682 HB3 GLU 89 HB1 GLU 89 8.797 6.476 -3.249 683 HG2 GLU 89 HG2 GLU 89 9.934 6.344 -5.211 684 HG3 GLU 89 HG1 GLU 89 8.313 6.675 -5.818 685 H SER 90 HN SER 90 6.122 7.580 -5.999 686 HA SER 90 HA SER 90 6.802 10.219 -6.978 687 HB2 SER 90 HB2 SER 90 6.909 8.269 -8.499 688 HB3 SER 90 HB1 SER 90 5.180 8.010 -8.276 689 HG SER 90 HG SER 90 4.755 9.656 -9.550 690 H LEU 91 HN LEU 91 4.708 9.254 -4.857 691 HA LEU 91 HA LEU 91 2.739 9.943 -4.035 692 HB2 LEU 91 HB2 LEU 91 3.677 12.304 -5.577 693 HB3 LEU 91 HB1 LEU 91 2.173 12.354 -4.676 694 HG LEU 91 HG LEU 91 4.656 12.979 -3.702 695 HD11 LEU 91 HD11 LEU 91 3.574 13.187 -1.569 696 HD12 LEU 91 HD12 LEU 91 2.301 12.076 -2.071 697 HD13 LEU 91 HD13 LEU 91 2.444 13.658 -2.838 698 HD21 LEU 91 HD21 LEU 91 5.308 11.349 -2.075 699 HD22 LEU 91 HD22 LEU 91 5.255 10.565 -3.655 700 HD23 LEU 91 HD23 LEU 91 3.942 10.317 -2.503 701 H THR 92 HN THR 92 2.792 8.491 -6.571 702 HA THR 92 HA THR 92 0.290 9.385 -7.822 703 HB THR 92 HB THR 92 2.339 7.351 -8.705 704 HG1 THR 92 HG1 THR 92 2.236 9.018 -10.556 705 HG21 THR 92 HG21 THR 92 0.132 6.580 -9.360 706 HG22 THR 92 HG22 THR 92 0.996 7.176 -10.779 707 HG23 THR 92 HG23 THR 92 -0.251 8.169 -10.025 708 H ALA 93 HN ALA 93 -1.479 8.501 -6.974 709 HA ALA 93 HA ALA 93 -1.247 5.887 -5.660 710 HB1 ALA 93 HB1 ALA 93 -3.707 6.745 -4.983 711 HB2 ALA 93 HB2 ALA 93 -2.875 8.286 -5.196 712 HB3 ALA 93 HB3 ALA 93 -2.248 7.095 -4.053 713 H VAL 94 HN VAL 94 -2.858 4.362 -5.841 714 HA VAL 94 HA VAL 94 -4.742 4.592 -8.053 715 HB VAL 94 HB VAL 94 -2.751 3.461 -9.027 716 HG11 VAL 94 HG11 VAL 94 -3.174 0.919 -7.680 717 HG12 VAL 94 HG12 VAL 94 -2.599 2.172 -6.580 718 HG13 VAL 94 HG13 VAL 94 -1.673 1.776 -8.030 719 HG21 VAL 94 HG21 VAL 94 -4.021 1.427 -9.838 720 HG22 VAL 94 HG22 VAL 94 -4.856 2.971 -10.023 721 HG23 VAL 94 HG23 VAL 94 -5.299 1.879 -8.706 722 H VAL 95 HN VAL 95 -6.599 3.884 -7.580 723 HA VAL 95 HA VAL 95 -6.983 2.410 -5.092 724 HB VAL 95 HB VAL 95 -8.114 4.489 -5.089 725 HG11 VAL 95 HG11 VAL 95 -7.934 4.816 -7.549 726 HG12 VAL 95 HG12 VAL 95 -9.514 5.270 -6.886 727 HG13 VAL 95 HG13 VAL 95 -9.330 3.745 -7.751 728 HG21 VAL 95 HG21 VAL 95 -10.203 2.459 -5.884 729 HG22 VAL 95 HG22 VAL 95 -10.423 3.863 -4.840 730 HG23 VAL 95 HG23 VAL 95 -9.428 2.507 -4.300 731 H CYS 96 HN CYS 96 -8.311 0.647 -4.974 732 HA CYS 96 HA CYS 96 -9.130 -0.582 -7.512 733 HB2 CYS 96 HB2 CYS 96 -7.886 -1.791 -5.050 734 HB3 CYS 96 HB1 CYS 96 -8.892 -2.765 -6.115 735 H GLY 97 HN GLY 97 -11.042 -1.822 -7.453 736 HA2 GLY 97 HA2 GLY 97 -12.891 -0.888 -5.369 737 HA3 GLY 97 HA1 GLY 97 -13.358 -1.370 -6.998 738 H LYS 98 HN LYS 98 -11.026 -3.400 -6.065 739 HA LYS 98 HA LYS 98 -12.624 -5.236 -4.501 740 HB2 LYS 98 HB2 LYS 98 -12.892 -5.420 -7.194 741 HB3 LYS 98 HB1 LYS 98 -11.507 -6.456 -6.945 742 HG2 LYS 98 HG2 LYS 98 -14.221 -6.721 -5.696 743 HG3 LYS 98 HG1 LYS 98 -13.496 -7.776 -6.910 744 HD2 LYS 98 HD2 LYS 98 -12.284 -8.909 -5.366 745 HD3 LYS 98 HD1 LYS 98 -11.928 -7.455 -4.436 746 HE2 LYS 98 HE2 LYS 98 -13.300 -9.033 -3.172 747 HE3 LYS 98 HE1 LYS 98 -14.127 -7.498 -3.452 748 HZ1 LYS 98 HZ1 LYS 98 -15.353 -8.528 -5.262 749 HZ2 LYS 98 HZ2 LYS 98 -15.601 -9.376 -3.819 750 HZ3 LYS 98 HZ3 LYS 98 -14.559 -9.999 -4.997 751 H MET 99 HN MET 99 -11.335 -6.193 -3.097 752 HA MET 99 HA MET 99 -8.500 -6.534 -3.798 753 HB2 MET 99 HB2 MET 99 -9.316 -4.886 -1.850 754 HB3 MET 99 HB1 MET 99 -9.307 -6.382 -0.939 755 HG2 MET 99 HG2 MET 99 -6.905 -6.353 -2.355 756 HG3 MET 99 HG1 MET 99 -7.112 -4.721 -1.718 757 HE1 MET 99 HE1 MET 99 -6.707 -8.518 -0.862 758 HE2 MET 99 HE2 MET 99 -8.388 -8.061 -0.572 759 HE3 MET 99 HE3 MET 99 -7.349 -8.525 0.784 760 H LYS 100 HN LYS 100 -8.264 -8.593 -4.280 761 HA LYS 100 HA LYS 100 -9.895 -10.587 -2.898 762 HB2 LYS 100 HB2 LYS 100 -8.113 -10.938 -5.314 763 HB3 LYS 100 HB1 LYS 100 -9.293 -12.091 -4.697 764 HG2 LYS 100 HG2 LYS 100 -11.106 -10.754 -5.339 765 HG3 LYS 100 HG1 LYS 100 -10.084 -9.333 -5.565 766 HD2 LYS 100 HD2 LYS 100 -8.992 -10.454 -7.468 767 HD3 LYS 100 HD1 LYS 100 -10.073 -11.833 -7.257 768 HE2 LYS 100 HE2 LYS 100 -11.987 -10.507 -7.785 769 HE3 LYS 100 HE1 LYS 100 -11.039 -9.020 -7.749 770 HZ1 LYS 100 HZ1 LYS 100 -11.487 -9.766 -10.012 771 HZ2 LYS 100 HZ2 LYS 100 -10.694 -11.228 -9.708 772 HZ3 LYS 100 HZ3 LYS 100 -9.827 -9.775 -9.687 773 H GLY 101 HN GLY 101 -6.495 -10.441 -4.017 774 HA2 GLY 101 HA2 GLY 101 -5.721 -12.441 -2.082 775 HA3 GLY 101 HA1 GLY 101 -4.664 -11.632 -3.227 776 H LYS 102 HN LYS 102 -3.216 -10.328 -2.397 777 HA LYS 102 HA LYS 102 -1.956 -9.452 -0.651 778 HB2 LYS 102 HB2 LYS 102 -3.379 -7.205 -0.033 779 HB3 LYS 102 HB1 LYS 102 -2.352 -7.401 -1.446 780 HG2 LYS 102 HG2 LYS 102 -5.089 -8.356 -1.756 781 HG3 LYS 102 HG1 LYS 102 -4.918 -6.620 -1.509 782 HD2 LYS 102 HD2 LYS 102 -4.334 -6.388 -3.639 783 HD3 LYS 102 HD1 LYS 102 -2.926 -7.414 -3.354 784 HE2 LYS 102 HE2 LYS 102 -4.282 -8.282 -5.174 785 HE3 LYS 102 HE1 LYS 102 -4.280 -9.392 -3.804 786 HZ1 LYS 102 HZ1 LYS 102 -6.444 -7.479 -4.497 787 HZ2 LYS 102 HZ2 LYS 102 -6.442 -8.500 -3.148 788 HZ3 LYS 102 HZ3 LYS 102 -6.494 -9.157 -4.705 789 H GLY 103 HN GLY 103 -3.468 -7.587 1.281 790 HA2 GLY 103 HA2 GLY 103 -4.546 -9.602 3.122 791 HA3 GLY 103 HA1 GLY 103 -3.237 -8.555 3.658 792 H SER 104 HN SER 104 -6.020 -8.798 4.625 793 HA SER 104 HA SER 104 -6.762 -5.982 4.271 794 HB2 SER 104 HB2 SER 104 -8.635 -8.329 4.351 795 HB3 SER 104 HB1 SER 104 -9.137 -6.644 4.355 796 HG SER 104 HG SER 104 -8.212 -6.414 2.308 797 H CYS 105 HN CYS 105 -7.566 -4.925 6.031 798 HA CYS 105 HA CYS 105 -6.771 -5.721 8.580 799 HB2 CYS 105 HB2 CYS 105 -9.120 -3.952 8.527 800 HB3 CYS 105 HB1 CYS 105 -7.538 -3.697 9.245 801 H THR 106 HN THR 106 -8.662 -5.633 10.408 802 HA THR 106 HA THR 106 -10.348 -6.742 11.460 803 HB THR 106 HB THR 106 -12.335 -7.158 10.392 804 HG1 THR 106 HG1 THR 106 -12.337 -8.607 8.864 805 HG21 THR 106 HG21 THR 106 -11.036 -4.933 9.504 806 HG22 THR 106 HG22 THR 106 -12.722 -5.314 9.155 807 HG23 THR 106 HG23 THR 106 -11.467 -5.715 7.979 808 H ASP 107 HN ASP 107 -8.324 -8.291 9.187 809 HA ASP 107 HA ASP 107 -8.835 -10.884 10.480 810 HB2 ASP 107 HB2 ASP 107 -9.575 -10.919 8.136 811 HB3 ASP 107 HB1 ASP 107 -7.973 -10.403 7.617 812 H GLY 108 HN GLY 108 -6.423 -8.816 8.906 813 HA2 GLY 108 HA2 GLY 108 -4.412 -8.718 10.568 814 HA3 GLY 108 HA1 GLY 108 -4.286 -10.412 10.124 815 H GLU 109 HN GLU 109 -4.390 -7.152 8.686 816 HA GLU 109 HA GLU 109 -3.414 -7.798 6.177 817 HB2 GLU 109 HB2 GLU 109 -3.974 -5.467 7.649 818 HB3 GLU 109 HB1 GLU 109 -2.348 -5.276 7.006 819 HG2 GLU 109 HG2 GLU 109 -4.635 -6.146 5.294 820 HG3 GLU 109 HG1 GLU 109 -4.307 -4.444 5.607 821 H GLU 110 HN GLU 110 -1.399 -8.038 5.295 822 HA GLU 110 HA GLU 110 0.908 -7.814 7.075 823 HB2 GLU 110 HB2 GLU 110 1.811 -9.935 6.134 824 HB3 GLU 110 HB1 GLU 110 0.380 -10.138 7.136 825 HG2 GLU 110 HG2 GLU 110 -0.983 -10.193 5.093 826 HG3 GLU 110 HG1 GLU 110 0.500 -10.136 4.147 827 H ILE 111 HN ILE 111 -0.034 -8.489 3.707 828 HA ILE 111 HA ILE 111 1.696 -6.368 2.793 829 HB ILE 111 HB ILE 111 2.867 -7.812 1.136 830 HG12 ILE 111 HG12 ILE 111 3.141 -10.240 1.933 831 HG13 ILE 111 HG11 ILE 111 1.663 -9.977 2.846 832 HG21 ILE 111 HG21 ILE 111 3.604 -8.572 3.935 833 HG22 ILE 111 HG22 ILE 111 3.797 -6.923 3.330 834 HG23 ILE 111 HG23 ILE 111 4.663 -8.257 2.557 835 HD11 ILE 111 HD11 ILE 111 2.037 -9.891 -0.129 836 HD12 ILE 111 HD12 ILE 111 0.561 -9.362 0.690 837 HD13 ILE 111 HD13 ILE 111 1.093 -11.037 0.820 838 H PHE 112 HN PHE 112 1.780 -6.477 0.256 839 HA PHE 112 HA PHE 112 -1.005 -6.717 -0.634 840 HB2 PHE 112 HB2 PHE 112 -0.379 -4.456 -0.730 841 HB3 PHE 112 HB1 PHE 112 1.225 -4.827 -1.338 842 HD1 PHE 112 HD2 PHE 112 -2.115 -5.899 -2.568 843 HD2 PHE 112 HD1 PHE 112 1.429 -3.686 -3.331 844 HE1 PHE 112 HE2 PHE 112 -2.890 -5.458 -4.859 845 HE2 PHE 112 HE1 PHE 112 0.658 -3.243 -5.623 846 HZ PHE 112 HZ PHE 112 -1.502 -4.127 -6.393 847 H ARG 113 HN ARG 113 -0.392 -9.107 -1.035 848 HA ARG 113 HA ARG 113 0.680 -9.318 -3.768 849 HB2 ARG 113 HB2 ARG 113 1.887 -11.239 -3.276 850 HB3 ARG 113 HB1 ARG 113 2.118 -10.280 -1.832 851 HG2 ARG 113 HG2 ARG 113 0.275 -11.557 -0.761 852 HG3 ARG 113 HG1 ARG 113 0.249 -12.606 -2.184 853 HD2 ARG 113 HD2 ARG 113 2.667 -13.059 -1.778 854 HD3 ARG 113 HD1 ARG 113 2.518 -12.153 -0.272 855 HE ARG 113 HE ARG 113 0.574 -14.215 -0.417 856 HH11 ARG 113 HH11 ARG 113 3.959 -13.646 0.190 857 HH12 ARG 113 HH12 ARG 113 4.145 -15.046 1.193 858 HH21 ARG 113 HH21 ARG 113 0.810 -16.057 0.902 859 HH22 ARG 113 HH22 ARG 113 2.356 -16.417 1.597 860 H GLY 114 HN GLY 114 -0.778 -10.061 -5.193 861 HA2 GLY 114 HA2 GLY 114 -2.288 -12.291 -5.133 862 HA3 GLY 114 HA1 GLY 114 -3.269 -11.171 -4.205 863 H ASN 115 HN ASN 115 -4.936 -10.663 -5.473 864 HA ASN 115 HA ASN 115 -4.367 -9.409 -8.047 865 HB2 ASN 115 HB2 ASN 115 -6.093 -11.831 -7.635 866 HB3 ASN 115 HB1 ASN 115 -6.388 -10.730 -8.974 867 HD21 ASN 115 HD21 ASN 115 -5.508 -13.545 -8.899 868 HD22 ASN 115 HD22 ASN 115 -4.037 -13.591 -9.804 869 H ASP 116 HN ASP 116 -5.232 -7.446 -7.863 870 HA ASP 116 HA ASP 116 -7.772 -7.135 -6.428 871 HB2 ASP 116 HB2 ASP 116 -6.984 -4.593 -7.120 872 HB3 ASP 116 HB1 ASP 116 -6.662 -5.358 -5.570 873 H ALA 117 HN ALA 117 -9.493 -5.931 -7.383 874 HA ALA 117 HA ALA 117 -9.389 -5.781 -10.323 875 HB1 ALA 117 HB1 ALA 117 -11.786 -6.705 -8.745 876 HB2 ALA 117 HB2 ALA 117 -10.620 -7.801 -9.496 877 HB3 ALA 117 HB3 ALA 117 -11.579 -6.711 -10.500 878 H GLU 118 HN GLU 118 -11.197 -4.477 -11.230 879 HA GLU 118 HA GLU 118 -12.187 -2.439 -11.451 880 HB2 GLU 118 HB2 GLU 118 -12.862 -3.178 -8.601 881 HB3 GLU 118 HB1 GLU 118 -13.543 -1.765 -9.409 882 HG2 GLU 118 HG2 GLU 118 -13.847 -4.627 -10.291 883 HG3 GLU 118 HG1 GLU 118 -15.066 -3.664 -9.459 884 H CYS 119 HN CYS 119 -9.623 -1.865 -11.367 885 HA CYS 119 HA CYS 119 -9.358 0.165 -9.239 886 HB2 CYS 119 HB2 CYS 119 -6.957 -0.976 -10.603 887 HB3 CYS 119 HB1 CYS 119 -7.088 -0.223 -9.024 888 H ARG 120 HN ARG 120 -8.580 2.111 -9.658 889 HA ARG 120 HA ARG 120 -7.786 2.890 -12.322 890 HB2 ARG 120 HB2 ARG 120 -9.168 4.922 -11.977 891 HB3 ARG 120 HB1 ARG 120 -10.049 3.468 -12.351 892 HG2 ARG 120 HG2 ARG 120 -11.242 3.773 -10.494 893 HG3 ARG 120 HG1 ARG 120 -9.745 3.696 -9.560 894 HD2 ARG 120 HD2 ARG 120 -10.501 5.801 -9.026 895 HD3 ARG 120 HD1 ARG 120 -9.391 6.098 -10.368 896 HE ARG 120 HE ARG 120 -12.092 5.727 -11.235 897 HH11 ARG 120 HH11 ARG 120 -9.844 8.054 -9.940 898 HH12 ARG 120 HH12 ARG 120 -10.679 9.419 -10.601 899 HH21 ARG 120 HH21 ARG 120 -13.193 7.518 -12.113 900 HH22 ARG 120 HH22 ARG 120 -12.581 9.115 -11.838 901 HA PRO 121 HA PRO 121 -4.817 5.316 -10.248 902 HB2 PRO 121 HB2 PRO 121 -4.657 7.515 -11.821 903 HB3 PRO 121 HB1 PRO 121 -3.987 5.942 -12.262 904 HG2 PRO 121 HG2 PRO 121 -6.406 7.299 -13.256 905 HG3 PRO 121 HG1 PRO 121 -5.388 6.090 -14.045 906 HD2 PRO 121 HD2 PRO 121 -7.892 5.644 -12.815 907 HD3 PRO 121 HD1 PRO 121 -6.760 4.401 -13.355 908 H PHE 122 HN PHE 122 -4.983 6.387 -8.410 909 HA PHE 122 HA PHE 122 -7.033 8.477 -8.155 910 HB2 PHE 122 HB2 PHE 122 -6.566 6.184 -6.612 911 HB3 PHE 122 HB1 PHE 122 -5.969 7.514 -5.639 912 HD1 PHE 122 HD2 PHE 122 -8.839 7.667 -7.995 913 HD2 PHE 122 HD1 PHE 122 -7.541 7.574 -3.949 914 HE1 PHE 122 HE2 PHE 122 -11.120 8.226 -7.255 915 HE2 PHE 122 HE1 PHE 122 -9.809 8.130 -3.197 916 HZ PHE 122 HZ PHE 122 -11.610 8.461 -4.851 917 H THR 123 HN THR 123 -6.519 10.448 -7.277 918 HA THR 123 HA THR 123 -3.690 10.894 -6.605 919 HB THR 123 HB THR 123 -3.855 13.138 -7.666 920 HG1 THR 123 HG1 THR 123 -5.684 13.120 -9.328 921 HG21 THR 123 HG21 THR 123 -2.808 11.289 -8.844 922 HG22 THR 123 HG22 THR 123 -3.667 12.337 -9.972 923 HG23 THR 123 HG23 THR 123 -4.373 10.794 -9.488 924 H GLY 124 HN GLY 124 -3.720 11.229 -4.489 925 HA2 GLY 124 HA2 GLY 124 -5.867 12.340 -3.031 926 HA3 GLY 124 HA1 GLY 124 -4.231 12.100 -2.439 Start of MODEL 17 1 H1 HIS 6 HT1 HIS 6 -23.678 5.093 -2.189 2 H2 HIS 6 HT2 HIS 6 -23.860 3.947 -3.420 3 H3 HIS 6 HT3 HIS 6 -24.088 5.590 -3.755 4 HA HIS 6 HA HIS 6 -21.966 4.830 -4.590 5 HB2 HIS 6 HB2 HIS 6 -21.791 6.702 -2.218 6 HB3 HIS 6 HB1 HIS 6 -20.548 6.528 -3.452 7 HD1 HIS 6 HD1 HIS 6 -23.806 8.142 -2.769 8 HD2 HIS 6 HD2 HIS 6 -21.252 7.589 -5.999 9 HE1 HIS 6 HE1 HIS 6 -24.593 9.754 -4.531 10 HE2 HIS 6 HE2 HIS 6 -22.989 9.452 -6.451 11 H ARG 7 HN ARG 7 -19.572 4.787 -3.534 12 HA ARG 7 HA ARG 7 -19.308 3.196 -1.176 13 HB2 ARG 7 HB2 ARG 7 -20.134 1.626 -3.089 14 HB3 ARG 7 HB1 ARG 7 -18.476 1.746 -3.660 15 HG2 ARG 7 HG2 ARG 7 -19.072 0.976 -0.829 16 HG3 ARG 7 HG1 ARG 7 -19.119 -0.215 -2.129 17 HD2 ARG 7 HD2 ARG 7 -16.781 1.444 -1.217 18 HD3 ARG 7 HD1 ARG 7 -16.943 -0.300 -1.181 19 HE ARG 7 HE ARG 7 -15.983 1.222 -3.337 20 HH11 ARG 7 HH11 ARG 7 -18.082 -1.489 -2.697 21 HH12 ARG 7 HH12 ARG 7 -17.793 -2.235 -4.233 22 HH21 ARG 7 HH21 ARG 7 -15.603 0.245 -5.356 23 HH22 ARG 7 HH22 ARG 7 -16.388 -1.250 -5.744 24 H SER 8 HN SER 8 -18.051 5.312 -1.153 25 HA SER 8 HA SER 8 -15.404 4.951 -2.387 26 HB2 SER 8 HB2 SER 8 -16.727 7.432 -1.253 27 HB3 SER 8 HB1 SER 8 -15.051 7.377 -1.810 28 HG SER 8 HG SER 8 -17.415 7.403 -3.258 29 H ALA 9 HN ALA 9 -14.525 3.531 -0.949 30 HA ALA 9 HA ALA 9 -14.692 3.530 1.801 31 HB1 ALA 9 HB1 ALA 9 -13.701 1.746 0.407 32 HB2 ALA 9 HB2 ALA 9 -12.699 2.185 1.793 33 HB3 ALA 9 HB3 ALA 9 -12.272 2.761 0.181 34 H ASN 10 HN ASN 10 -12.701 3.918 3.265 35 HA ASN 10 HA ASN 10 -12.203 6.738 3.228 36 HB2 ASN 10 HB2 ASN 10 -12.572 5.203 5.271 37 HB3 ASN 10 HB1 ASN 10 -10.872 4.784 5.090 38 HD21 ASN 10 HD21 ASN 10 -12.145 6.117 7.296 39 HD22 ASN 10 HD22 ASN 10 -11.392 7.665 7.448 40 H LEU 11 HN LEU 11 -11.082 5.555 0.939 41 HA LEU 11 HA LEU 11 -8.375 4.897 1.063 42 HB2 LEU 11 HB2 LEU 11 -9.632 6.582 -1.089 43 HB3 LEU 11 HB1 LEU 11 -8.254 5.529 -1.228 44 HG LEU 11 HG LEU 11 -10.851 4.326 -0.491 45 HD11 LEU 11 HD11 LEU 11 -11.388 5.872 -2.303 46 HD12 LEU 11 HD12 LEU 11 -11.501 4.191 -2.831 47 HD13 LEU 11 HD13 LEU 11 -10.094 5.163 -3.277 48 HD21 LEU 11 HD21 LEU 11 -10.005 2.433 -1.640 49 HD22 LEU 11 HD22 LEU 11 -8.673 3.066 -0.671 50 HD23 LEU 11 HD23 LEU 11 -8.733 3.388 -2.404 51 H ARG 12 HN ARG 12 -9.992 7.826 1.521 52 HA ARG 12 HA ARG 12 -8.059 9.689 0.786 53 HB2 ARG 12 HB2 ARG 12 -10.311 9.808 2.732 54 HB3 ARG 12 HB1 ARG 12 -9.372 11.202 2.269 55 HG2 ARG 12 HG2 ARG 12 -11.385 11.217 0.987 56 HG3 ARG 12 HG1 ARG 12 -10.062 10.789 -0.098 57 HD2 ARG 12 HD2 ARG 12 -12.035 9.377 -0.492 58 HD3 ARG 12 HD1 ARG 12 -10.657 8.424 0.078 59 HE ARG 12 HE ARG 12 -11.737 8.238 2.204 60 HH11 ARG 12 HH11 ARG 12 -13.697 9.689 -0.287 61 HH12 ARG 12 HH12 ARG 12 -15.192 9.381 0.533 62 HH21 ARG 12 HH21 ARG 12 -13.700 7.833 3.289 63 HH22 ARG 12 HH22 ARG 12 -15.193 8.329 2.565 64 H ALA 13 HN ALA 13 -8.843 8.277 3.927 65 HA ALA 13 HA ALA 13 -6.816 9.583 5.382 66 HB1 ALA 13 HB1 ALA 13 -7.899 6.824 5.912 67 HB2 ALA 13 HB2 ALA 13 -8.728 8.313 6.370 68 HB3 ALA 13 HB3 ALA 13 -7.158 7.927 7.073 69 H ALA 14 HN ALA 14 -6.942 6.616 3.570 70 HA ALA 14 HA ALA 14 -4.352 5.666 4.202 71 HB1 ALA 14 HB1 ALA 14 -6.279 4.344 3.280 72 HB2 ALA 14 HB2 ALA 14 -4.734 4.072 2.472 73 HB3 ALA 14 HB3 ALA 14 -5.957 5.097 1.711 74 H HIS 15 HN HIS 15 -5.688 7.618 1.630 75 HA HIS 15 HA HIS 15 -3.609 7.782 -0.126 76 HB2 HIS 15 HB2 HIS 15 -5.948 9.336 0.562 77 HB3 HIS 15 HB1 HIS 15 -4.613 10.405 0.171 78 HD1 HIS 15 HD1 HIS 15 -3.330 9.466 -2.189 79 HD2 HIS 15 HD2 HIS 15 -7.385 8.747 -1.626 80 HE1 HIS 15 HE1 HIS 15 -4.267 9.062 -4.478 81 HE2 HIS 15 HE2 HIS 15 -6.742 8.904 -4.130 82 H ALA 16 HN ALA 16 -4.057 9.219 3.016 83 HA ALA 16 HA ALA 16 -1.654 10.824 2.859 84 HB1 ALA 16 HB1 ALA 16 -3.519 11.757 4.072 85 HB2 ALA 16 HB2 ALA 16 -2.196 11.436 5.197 86 HB3 ALA 16 HB3 ALA 16 -3.583 10.346 5.129 87 H ALA 17 HN ALA 17 -2.666 7.713 4.071 88 HA ALA 17 HA ALA 17 -0.437 7.300 5.793 89 HB1 ALA 17 HB1 ALA 17 -2.441 6.020 6.122 90 HB2 ALA 17 HB2 ALA 17 -1.084 4.945 5.769 91 HB3 ALA 17 HB3 ALA 17 -2.281 5.308 4.515 92 H LEU 18 HN LEU 18 -1.246 5.823 2.636 93 HA LEU 18 HA LEU 18 1.286 4.724 2.150 94 HB2 LEU 18 HB2 LEU 18 -0.745 5.734 0.138 95 HB3 LEU 18 HB1 LEU 18 0.602 4.682 -0.243 96 HG LEU 18 HG LEU 18 -0.915 3.052 -0.093 97 HD11 LEU 18 HD11 LEU 18 -1.260 2.095 2.093 98 HD12 LEU 18 HD12 LEU 18 -0.760 3.605 2.854 99 HD13 LEU 18 HD13 LEU 18 0.402 2.662 1.917 100 HD21 LEU 18 HD21 LEU 18 -2.618 4.909 -0.023 101 HD22 LEU 18 HD22 LEU 18 -2.675 4.649 1.726 102 HD23 LEU 18 HD23 LEU 18 -3.117 3.343 0.624 103 H LEU 19 HN LEU 19 0.046 7.915 1.921 104 HA LEU 19 HA LEU 19 2.194 9.016 0.359 105 HB2 LEU 19 HB2 LEU 19 0.185 10.254 0.318 106 HB3 LEU 19 HB1 LEU 19 -0.030 10.139 2.047 107 HG LEU 19 HG LEU 19 0.622 12.408 0.981 108 HD11 LEU 19 HD11 LEU 19 0.467 11.937 3.383 109 HD12 LEU 19 HD12 LEU 19 1.783 13.050 3.001 110 HD13 LEU 19 HD13 LEU 19 2.132 11.358 3.361 111 HD21 LEU 19 HD21 LEU 19 3.395 11.368 1.366 112 HD22 LEU 19 HD22 LEU 19 2.862 12.835 0.544 113 HD23 LEU 19 HD23 LEU 19 2.597 11.257 -0.200 114 H GLU 20 HN GLU 20 1.273 8.823 3.736 115 HA GLU 20 HA GLU 20 3.444 10.108 4.925 116 HB2 GLU 20 HB2 GLU 20 1.350 9.440 6.095 117 HB3 GLU 20 HB1 GLU 20 1.876 7.767 6.004 118 HG2 GLU 20 HG2 GLU 20 2.484 8.343 8.135 119 HG3 GLU 20 HG1 GLU 20 3.980 8.607 7.238 120 H ASN 21 HN ASN 21 2.998 6.949 3.601 121 HA ASN 21 HA ASN 21 5.509 5.904 4.581 122 HB2 ASN 21 HB2 ASN 21 3.308 4.574 4.004 123 HB3 ASN 21 HB1 ASN 21 3.886 4.676 2.348 124 HD21 ASN 21 HD21 ASN 21 3.605 2.607 4.612 125 HD22 ASN 21 HD22 ASN 21 5.076 1.713 4.485 126 H ALA 22 HN ALA 22 4.090 7.350 1.763 127 HA ALA 22 HA ALA 22 6.141 6.952 -0.091 128 HB1 ALA 22 HB1 ALA 22 4.371 9.378 0.022 129 HB2 ALA 22 HB2 ALA 22 3.837 7.809 -0.582 130 HB3 ALA 22 HB3 ALA 22 5.143 8.671 -1.398 131 H ARG 23 HN ARG 23 5.738 9.540 2.280 132 HA ARG 23 HA ARG 23 7.988 11.005 1.357 133 HB2 ARG 23 HB2 ARG 23 7.809 12.125 3.592 134 HB3 ARG 23 HB1 ARG 23 6.330 12.159 2.644 135 HG2 ARG 23 HG2 ARG 23 5.229 10.739 4.065 136 HG3 ARG 23 HG1 ARG 23 6.716 9.967 4.618 137 HD2 ARG 23 HD2 ARG 23 5.830 11.288 6.406 138 HD3 ARG 23 HD1 ARG 23 7.300 12.057 5.811 139 HE ARG 23 HE ARG 23 5.134 13.187 4.466 140 HH11 ARG 23 HH11 ARG 23 6.428 13.020 7.699 141 HH12 ARG 23 HH12 ARG 23 5.790 14.559 8.170 142 HH21 ARG 23 HH21 ARG 23 4.290 15.212 5.082 143 HH22 ARG 23 HH22 ARG 23 4.573 15.803 6.685 144 H PHE 24 HN PHE 24 7.425 8.699 3.978 145 HA PHE 24 HA PHE 24 10.036 8.716 5.014 146 HB2 PHE 24 HB2 PHE 24 7.590 7.129 5.304 147 HB3 PHE 24 HB1 PHE 24 9.046 6.180 5.541 148 HD1 PHE 24 HD2 PHE 24 10.731 7.001 7.265 149 HD2 PHE 24 HD1 PHE 24 6.771 8.527 6.957 150 HE1 PHE 24 HE2 PHE 24 10.894 7.876 9.558 151 HE2 PHE 24 HE1 PHE 24 6.927 9.407 9.249 152 HZ PHE 24 HZ PHE 24 8.990 9.081 10.554 153 H MET 25 HN MET 25 8.549 6.921 2.364 154 HA MET 25 HA MET 25 10.824 5.201 2.016 155 HB2 MET 25 HB2 MET 25 8.431 5.804 0.251 156 HB3 MET 25 HB1 MET 25 9.704 4.663 -0.182 157 HG2 MET 25 HG2 MET 25 8.320 4.378 2.431 158 HG3 MET 25 HG1 MET 25 7.525 3.816 0.980 159 HE1 MET 25 HE1 MET 25 10.277 3.677 3.400 160 HE2 MET 25 HE2 MET 25 11.014 2.080 3.243 161 HE3 MET 25 HE3 MET 25 9.375 2.236 3.881 162 H GLU 26 HN GLU 26 9.537 8.148 0.611 163 HA GLU 26 HA GLU 26 11.498 8.645 -1.308 164 HB2 GLU 26 HB2 GLU 26 9.561 10.269 0.264 165 HB3 GLU 26 HB1 GLU 26 10.884 11.138 -0.482 166 HG2 GLU 26 HG2 GLU 26 8.893 9.396 -1.895 167 HG3 GLU 26 HG1 GLU 26 8.918 11.156 -1.888 168 H GLN 27 HN GLN 27 11.483 8.759 2.119 169 HA GLN 27 HA GLN 27 13.832 10.381 2.439 170 HB2 GLN 27 HB2 GLN 27 12.188 8.767 4.346 171 HB3 GLN 27 HB1 GLN 27 13.626 9.612 4.838 172 HG2 GLN 27 HG2 GLN 27 12.659 11.622 4.644 173 HG3 GLN 27 HG1 GLN 27 11.549 11.122 3.391 174 HE21 GLN 27 HE21 GLN 27 9.742 11.967 4.381 175 HE22 GLN 27 HE22 GLN 27 9.088 11.338 5.852 176 H PHE 28 HN PHE 28 13.060 6.976 3.171 177 HA PHE 28 HA PHE 28 15.609 6.162 3.865 178 HB2 PHE 28 HB2 PHE 28 13.571 4.792 4.158 179 HB3 PHE 28 HB1 PHE 28 13.515 4.529 2.428 180 HD1 PHE 28 HD2 PHE 28 15.912 4.187 5.268 181 HD2 PHE 28 HD1 PHE 28 14.357 2.627 1.651 182 HE1 PHE 28 HE2 PHE 28 17.352 2.206 5.521 183 HE2 PHE 28 HE1 PHE 28 15.777 0.637 1.886 184 HZ PHE 28 HZ PHE 28 17.284 0.424 3.823 185 H TYR 29 HN TYR 29 14.070 6.353 0.698 186 HA TYR 29 HA TYR 29 16.230 5.241 -0.766 187 HB2 TYR 29 HB2 TYR 29 14.026 5.363 -1.770 188 HB3 TYR 29 HB1 TYR 29 13.978 7.106 -1.569 189 HD1 TYR 29 HD2 TYR 29 15.202 8.570 -3.078 190 HD2 TYR 29 HD1 TYR 29 15.311 4.345 -3.572 191 HE1 TYR 29 HE2 TYR 29 16.120 8.864 -5.339 192 HE2 TYR 29 HE1 TYR 29 16.227 4.629 -5.836 193 HH TYR 29 HH TYR 29 17.417 7.609 -6.979 194 H ALA 30 HN ALA 30 15.340 8.433 0.335 195 HA ALA 30 HA ALA 30 17.378 9.868 -1.054 196 HB1 ALA 30 HB1 ALA 30 16.809 11.649 0.692 197 HB2 ALA 30 HB2 ALA 30 15.580 10.523 1.275 198 HB3 ALA 30 HB3 ALA 30 15.506 11.134 -0.378 199 H LYS 31 HN LYS 31 17.306 7.855 1.664 200 HA LYS 31 HA LYS 31 19.826 8.910 2.735 201 HB2 LYS 31 HB2 LYS 31 17.926 6.885 3.939 202 HB3 LYS 31 HB1 LYS 31 19.333 7.584 4.727 203 HG2 LYS 31 HG2 LYS 31 18.268 9.513 5.219 204 HG3 LYS 31 HG1 LYS 31 17.308 9.491 3.738 205 HD2 LYS 31 HD2 LYS 31 15.805 7.857 4.663 206 HD3 LYS 31 HD1 LYS 31 16.832 7.655 6.085 207 HE2 LYS 31 HE2 LYS 31 14.718 9.130 6.258 208 HE3 LYS 31 HE1 LYS 31 16.225 9.710 6.971 209 HZ1 LYS 31 HZ1 LYS 31 16.592 11.079 5.029 210 HZ2 LYS 31 HZ2 LYS 31 15.077 11.431 5.695 211 HZ3 LYS 31 HZ3 LYS 31 15.187 10.484 4.297 212 H LYS 32 HN LYS 32 18.444 6.375 0.929 213 HA LYS 32 HA LYS 32 20.937 4.833 1.072 214 HB2 LYS 32 HB2 LYS 32 18.102 3.954 1.293 215 HB3 LYS 32 HB1 LYS 32 19.244 2.888 0.502 216 HG2 LYS 32 HG2 LYS 32 19.891 4.042 3.166 217 HG3 LYS 32 HG1 LYS 32 18.799 2.666 3.044 218 HD2 LYS 32 HD2 LYS 32 20.495 1.375 1.901 219 HD3 LYS 32 HD1 LYS 32 21.586 2.762 1.900 220 HE2 LYS 32 HE2 LYS 32 20.544 1.316 4.335 221 HE3 LYS 32 HE1 LYS 32 22.169 1.178 3.664 222 HZ1 LYS 32 HZ1 LYS 32 20.961 3.656 4.769 223 HZ2 LYS 32 HZ2 LYS 32 22.518 3.525 4.124 224 HZ3 LYS 32 HZ3 LYS 32 22.119 2.692 5.540 225 H GLY 33 HN GLY 33 18.060 4.208 -0.856 226 HA2 GLY 33 HA2 GLY 33 18.203 5.308 -3.205 227 HA3 GLY 33 HA1 GLY 33 19.708 4.403 -3.278 228 H SER 34 HN SER 34 17.880 2.506 -1.445 229 HA SER 34 HA SER 34 16.175 1.316 -3.449 230 HB2 SER 34 HB2 SER 34 18.570 -0.212 -2.393 231 HB3 SER 34 HB1 SER 34 17.288 -0.883 -3.401 232 HG SER 34 HG SER 34 17.915 0.603 -5.032 233 H PHE 35 HN PHE 35 14.870 -0.440 -2.572 234 HA PHE 35 HA PHE 35 14.603 -0.190 0.344 235 HB2 PHE 35 HB2 PHE 35 12.503 -1.037 -1.668 236 HB3 PHE 35 HB1 PHE 35 12.257 -0.792 0.059 237 HD1 PHE 35 HD2 PHE 35 12.930 1.595 0.945 238 HD2 PHE 35 HD1 PHE 35 12.015 0.675 -3.102 239 HE1 PHE 35 HE2 PHE 35 12.407 3.964 0.529 240 HE2 PHE 35 HE1 PHE 35 11.491 3.041 -3.530 241 HZ PHE 35 HZ PHE 35 11.714 4.701 -1.677 242 H LYS 36 HN LYS 36 14.310 -2.605 -2.274 243 HA LYS 36 HA LYS 36 14.653 -4.725 -0.281 244 HB2 LYS 36 HB2 LYS 36 13.122 -4.568 -2.624 245 HB3 LYS 36 HB1 LYS 36 14.428 -5.683 -2.980 246 HG2 LYS 36 HG2 LYS 36 13.519 -6.405 -0.452 247 HG3 LYS 36 HG1 LYS 36 12.076 -6.100 -1.411 248 HD2 LYS 36 HD2 LYS 36 14.344 -7.949 -2.120 249 HD3 LYS 36 HD1 LYS 36 12.732 -8.431 -1.592 250 HE2 LYS 36 HE2 LYS 36 11.782 -7.391 -3.602 251 HE3 LYS 36 HE1 LYS 36 13.399 -6.930 -4.125 252 HZ1 LYS 36 HZ1 LYS 36 12.511 -9.729 -3.684 253 HZ2 LYS 36 HZ2 LYS 36 13.998 -9.230 -4.315 254 HZ3 LYS 36 HZ3 LYS 36 12.578 -8.970 -5.195 255 H LEU 37 HN LEU 37 16.225 -6.430 -0.665 256 HA LEU 37 HA LEU 37 18.550 -5.454 -2.188 257 HB2 LEU 37 HB2 LEU 37 19.658 -6.963 -0.200 258 HB3 LEU 37 HB1 LEU 37 19.557 -5.214 -0.220 259 HG LEU 37 HG LEU 37 17.373 -6.896 0.997 260 HD11 LEU 37 HD11 LEU 37 19.822 -5.811 2.386 261 HD12 LEU 37 HD12 LEU 37 19.481 -7.513 2.076 262 HD13 LEU 37 HD13 LEU 37 18.443 -6.590 3.161 263 HD21 LEU 37 HD21 LEU 37 18.243 -4.021 1.223 264 HD22 LEU 37 HD22 LEU 37 17.102 -4.776 2.335 265 HD23 LEU 37 HD23 LEU 37 16.708 -4.652 0.619 266 H THR 38 HN THR 38 16.655 -8.259 -1.238 267 HA THR 38 HA THR 38 18.038 -9.794 -3.308 268 HB THR 38 HB THR 38 19.214 -10.269 -1.151 269 HG1 THR 38 HG1 THR 38 18.430 -12.718 -1.407 270 HG21 THR 38 HG21 THR 38 17.294 -10.032 0.344 271 HG22 THR 38 HG22 THR 38 18.035 -11.624 0.526 272 HG23 THR 38 HG23 THR 38 16.537 -11.447 -0.394 273 H SER 39 HN SER 39 16.970 -12.025 -3.527 274 HA SER 39 HA SER 39 14.179 -11.619 -3.873 275 HB2 SER 39 HB2 SER 39 14.141 -13.931 -4.707 276 HB3 SER 39 HB1 SER 39 15.478 -13.032 -5.425 277 HG SER 39 HG SER 39 15.948 -14.472 -3.073 278 H THR 40 HN THR 40 12.548 -12.199 -2.639 279 HA THR 40 HA THR 40 11.321 -12.974 -0.904 280 HB THR 40 HB THR 40 11.846 -14.974 0.246 281 HG1 THR 40 HG1 THR 40 13.977 -15.890 0.118 282 HG21 THR 40 HG21 THR 40 12.293 -16.511 -1.550 283 HG22 THR 40 HG22 THR 40 13.053 -15.235 -2.502 284 HG23 THR 40 HG23 THR 40 11.319 -15.173 -2.169 285 H LYS 41 HN LYS 41 12.682 -10.690 -0.644 286 HA LYS 41 HA LYS 41 13.543 -10.661 2.174 287 HB2 LYS 41 HB2 LYS 41 15.103 -9.954 0.134 288 HB3 LYS 41 HB1 LYS 41 14.231 -8.441 0.307 289 HG2 LYS 41 HG2 LYS 41 15.600 -9.756 2.627 290 HG3 LYS 41 HG1 LYS 41 16.442 -8.662 1.528 291 HD2 LYS 41 HD2 LYS 41 14.014 -8.009 3.193 292 HD3 LYS 41 HD1 LYS 41 15.666 -7.455 3.481 293 HE2 LYS 41 HE2 LYS 41 15.511 -6.483 1.095 294 HE3 LYS 41 HE1 LYS 41 13.772 -6.689 1.291 295 HZ1 LYS 41 HZ1 LYS 41 13.855 -5.297 3.263 296 HZ2 LYS 41 HZ2 LYS 41 14.472 -4.467 1.925 297 HZ3 LYS 41 HZ3 LYS 41 15.527 -5.099 3.085 298 H TRP 42 HN TRP 42 12.625 -9.013 3.495 299 HA TRP 42 HA TRP 42 10.425 -7.533 2.222 300 HB2 TRP 42 HB2 TRP 42 10.284 -9.499 4.385 301 HB3 TRP 42 HB1 TRP 42 9.460 -7.985 4.730 302 HD1 TRP 42 HD1 TRP 42 8.809 -7.906 1.329 303 HE1 TRP 42 HE1 TRP 42 6.683 -9.148 0.645 304 HE3 TRP 42 HE3 TRP 42 8.173 -10.805 5.496 305 HZ2 TRP 42 HZ2 TRP 42 4.952 -11.072 1.703 306 HZ3 TRP 42 HZ3 TRP 42 6.240 -12.327 5.575 307 HH2 TRP 42 HH2 TRP 42 4.661 -12.460 3.715 308 HA PRO 43 HA PRO 43 12.594 -4.271 4.584 309 HB2 PRO 43 HB2 PRO 43 11.519 -2.250 3.074 310 HB3 PRO 43 HB1 PRO 43 12.990 -3.113 2.616 311 HG2 PRO 43 HG2 PRO 43 10.188 -3.496 1.650 312 HG3 PRO 43 HG1 PRO 43 11.703 -3.507 0.729 313 HD2 PRO 43 HD2 PRO 43 10.431 -5.784 1.442 314 HD3 PRO 43 HD1 PRO 43 12.203 -5.680 1.330 315 H GLU 44 HN GLU 44 11.603 -3.591 6.468 316 HA GLU 44 HA GLU 44 8.851 -3.961 6.852 317 HB2 GLU 44 HB2 GLU 44 10.565 -4.032 8.652 318 HB3 GLU 44 HB1 GLU 44 10.624 -2.280 8.576 319 HG2 GLU 44 HG2 GLU 44 7.918 -3.084 8.751 320 HG3 GLU 44 HG1 GLU 44 8.843 -3.899 10.007 321 H LEU 45 HN LEU 45 7.154 -2.649 6.998 322 HA LEU 45 HA LEU 45 7.320 -0.132 5.561 323 HB2 LEU 45 HB2 LEU 45 4.927 -0.298 5.434 324 HB3 LEU 45 HB1 LEU 45 5.627 -1.852 5.013 325 HG LEU 45 HG LEU 45 5.008 -1.672 7.823 326 HD11 LEU 45 HD11 LEU 45 3.288 -0.218 7.328 327 HD12 LEU 45 HD12 LEU 45 2.549 -1.814 7.501 328 HD13 LEU 45 HD13 LEU 45 2.824 -1.136 5.894 329 HD21 LEU 45 HD21 LEU 45 3.557 -3.712 6.926 330 HD22 LEU 45 HD22 LEU 45 5.285 -3.806 7.285 331 HD23 LEU 45 HD23 LEU 45 4.741 -3.564 5.628 332 HA PRO 46 HA PRO 46 6.922 2.295 9.281 333 HB2 PRO 46 HB2 PRO 46 6.286 4.675 8.168 334 HB3 PRO 46 HB1 PRO 46 7.914 3.993 8.099 335 HG2 PRO 46 HG2 PRO 46 5.782 4.027 6.011 336 HG3 PRO 46 HG1 PRO 46 7.533 4.241 5.833 337 HD2 PRO 46 HD2 PRO 46 6.203 1.896 5.297 338 HD3 PRO 46 HD1 PRO 46 7.914 1.989 5.742 339 H VAL 47 HN VAL 47 4.406 3.456 6.992 340 HA VAL 47 HA VAL 47 2.535 3.702 9.166 341 HB VAL 47 HB VAL 47 2.545 5.247 7.134 342 HG11 VAL 47 HG11 VAL 47 1.117 2.921 5.888 343 HG12 VAL 47 HG12 VAL 47 2.679 3.581 5.387 344 HG13 VAL 47 HG13 VAL 47 1.213 4.547 5.217 345 HG21 VAL 47 HG21 VAL 47 0.762 5.226 8.799 346 HG22 VAL 47 HG22 VAL 47 -0.060 3.954 7.895 347 HG23 VAL 47 HG23 VAL 47 0.145 5.553 7.180 348 H LYS 48 HN LYS 48 1.080 2.294 9.829 349 HA LYS 48 HA LYS 48 0.539 -0.072 8.165 350 HB2 LYS 48 HB2 LYS 48 0.384 -0.076 11.168 351 HB3 LYS 48 HB1 LYS 48 0.490 -1.452 10.079 352 HG2 LYS 48 HG2 LYS 48 2.669 -1.505 10.451 353 HG3 LYS 48 HG1 LYS 48 2.808 0.051 9.631 354 HD2 LYS 48 HD2 LYS 48 2.304 -0.370 12.577 355 HD3 LYS 48 HD1 LYS 48 3.827 0.140 11.846 356 HE2 LYS 48 HE2 LYS 48 2.645 2.138 10.946 357 HE3 LYS 48 HE1 LYS 48 1.215 1.648 11.855 358 HZ1 LYS 48 HZ1 LYS 48 2.450 3.287 13.087 359 HZ2 LYS 48 HZ2 LYS 48 3.864 2.364 12.996 360 HZ3 LYS 48 HZ3 LYS 48 2.548 1.803 13.897 361 H GLU 49 HN GLU 49 -0.691 2.713 9.217 362 HA GLU 49 HA GLU 49 -3.394 1.948 8.754 363 HB2 GLU 49 HB2 GLU 49 -3.254 1.138 11.022 364 HB3 GLU 49 HB1 GLU 49 -2.607 2.676 11.569 365 HG2 GLU 49 HG2 GLU 49 -4.752 3.737 10.857 366 HG3 GLU 49 HG1 GLU 49 -5.378 2.118 10.545 367 H ALA 50 HN ALA 50 -4.596 3.622 8.181 368 HA ALA 50 HA ALA 50 -3.405 6.291 8.210 369 HB1 ALA 50 HB1 ALA 50 -4.078 5.499 6.033 370 HB2 ALA 50 HB2 ALA 50 -5.157 6.802 6.522 371 HB3 ALA 50 HB3 ALA 50 -5.695 5.127 6.623 372 H GLY 51 HN GLY 51 -6.735 6.298 7.710 373 HA2 GLY 51 HA2 GLY 51 -7.322 6.948 10.526 374 HA3 GLY 51 HA1 GLY 51 -7.842 8.012 9.223 375 H GLY 52 HN GLY 52 -7.947 5.065 7.940 376 HA2 GLY 52 HA2 GLY 52 -10.333 3.957 9.049 377 HA3 GLY 52 HA1 GLY 52 -10.641 4.815 7.549 378 H PHE 53 HN PHE 53 -7.639 3.976 7.096 379 HA PHE 53 HA PHE 53 -8.242 1.289 6.043 380 HB2 PHE 53 HB2 PHE 53 -6.757 3.594 4.855 381 HB3 PHE 53 HB1 PHE 53 -6.143 1.986 4.537 382 HD1 PHE 53 HD1 PHE 53 -9.657 3.262 4.710 383 HD2 PHE 53 HD2 PHE 53 -6.592 1.495 2.366 384 HE1 PHE 53 HE1 PHE 53 -11.240 2.987 2.859 385 HE2 PHE 53 HE2 PHE 53 -8.169 1.209 0.507 386 HZ PHE 53 HZ PHE 53 -10.500 1.957 0.752 387 H CYS 54 HN CYS 54 -6.308 -0.134 5.883 388 HA CYS 54 HA CYS 54 -4.284 0.518 7.908 389 HB2 CYS 54 HB2 CYS 54 -4.177 -1.806 8.584 390 HB3 CYS 54 HB1 CYS 54 -5.843 -1.262 8.706 391 H ILE 55 HN ILE 55 -2.190 0.083 7.386 392 HA ILE 55 HA ILE 55 -1.775 -0.613 4.563 393 HB ILE 55 HB ILE 55 -0.174 1.244 6.307 394 HG12 ILE 55 HG12 ILE 55 -1.109 2.908 4.554 395 HG13 ILE 55 HG11 ILE 55 -2.298 1.653 4.233 396 HG21 ILE 55 HG21 ILE 55 0.847 1.905 4.092 397 HG22 ILE 55 HG22 ILE 55 0.135 0.428 3.433 398 HG23 ILE 55 HG23 ILE 55 1.324 0.331 4.734 399 HD11 ILE 55 HD11 ILE 55 -3.271 1.852 6.311 400 HD12 ILE 55 HD12 ILE 55 -2.897 3.520 5.870 401 HD13 ILE 55 HD13 ILE 55 -1.860 2.656 7.004 402 H ARG 56 HN ARG 56 0.022 -1.695 3.911 403 HA ARG 56 HA ARG 56 1.888 -2.858 5.824 404 HB2 ARG 56 HB2 ARG 56 -0.170 -4.456 4.301 405 HB3 ARG 56 HB1 ARG 56 1.383 -5.166 4.718 406 HG2 ARG 56 HG2 ARG 56 -0.491 -3.954 6.732 407 HG3 ARG 56 HG1 ARG 56 -0.481 -5.665 6.300 408 HD2 ARG 56 HD2 ARG 56 1.810 -5.877 7.044 409 HD3 ARG 56 HD1 ARG 56 1.891 -4.146 7.374 410 HE ARG 56 HE ARG 56 -0.215 -5.143 8.869 411 HH11 ARG 56 HH11 ARG 56 3.234 -5.596 8.665 412 HH12 ARG 56 HH12 ARG 56 3.412 -5.992 10.342 413 HH21 ARG 56 HH21 ARG 56 0.009 -5.662 11.077 414 HH22 ARG 56 HH22 ARG 56 1.577 -6.030 11.712 415 H MET 57 HN MET 57 3.693 -3.876 4.753 416 HA MET 57 HA MET 57 4.621 -2.445 2.537 417 HB2 MET 57 HB2 MET 57 5.952 -3.720 4.338 418 HB3 MET 57 HB1 MET 57 5.724 -5.129 3.310 419 HG2 MET 57 HG2 MET 57 6.605 -3.171 1.571 420 HG3 MET 57 HG1 MET 57 7.554 -2.909 3.035 421 HE1 MET 57 HE1 MET 57 6.360 -5.357 0.383 422 HE2 MET 57 HE2 MET 57 6.175 -6.471 1.742 423 HE3 MET 57 HE3 MET 57 7.429 -6.748 0.537 424 H SER 58 HN SER 58 5.208 -3.205 0.414 425 HA SER 58 HA SER 58 3.207 -4.179 -1.127 426 HB2 SER 58 HB2 SER 58 5.105 -3.190 -2.178 427 HB3 SER 58 HB1 SER 58 6.187 -4.438 -1.544 428 HG SER 58 HG SER 58 5.456 -5.843 -3.011 429 H GLY 59 HN GLY 59 3.489 -6.269 -2.567 430 HA2 GLY 59 HA2 GLY 59 2.463 -8.389 -1.199 431 HA3 GLY 59 HA1 GLY 59 3.229 -8.525 -2.761 432 H GLN 60 HN GLN 60 4.064 -10.497 -2.502 433 HA GLN 60 HA GLN 60 5.365 -11.474 -0.203 434 HB2 GLN 60 HB2 GLN 60 6.299 -13.160 -1.979 435 HB3 GLN 60 HB1 GLN 60 4.607 -13.172 -1.527 436 HG2 GLN 60 HG2 GLN 60 4.110 -11.775 -3.505 437 HG3 GLN 60 HG1 GLN 60 5.803 -11.917 -3.979 438 HE21 GLN 60 HE21 GLN 60 5.271 -12.943 -5.906 439 HE22 GLN 60 HE22 GLN 60 4.722 -14.580 -5.958 440 H ALA 61 HN ALA 61 7.443 -11.705 0.345 441 HA ALA 61 HA ALA 61 9.284 -9.744 -0.216 442 HB1 ALA 61 HB1 ALA 61 10.879 -11.036 0.964 443 HB2 ALA 61 HB2 ALA 61 10.018 -12.537 0.615 444 HB3 ALA 61 HB3 ALA 61 9.307 -11.344 1.705 445 H LYS 62 HN LYS 62 8.591 -12.590 -2.097 446 HA LYS 62 HA LYS 62 11.106 -12.574 -3.496 447 HB2 LYS 62 HB2 LYS 62 9.939 -14.656 -3.319 448 HB3 LYS 62 HB1 LYS 62 8.499 -13.967 -4.038 449 HG2 LYS 62 HG2 LYS 62 9.361 -15.131 -5.813 450 HG3 LYS 62 HG1 LYS 62 10.079 -13.542 -6.080 451 HD2 LYS 62 HD2 LYS 62 11.851 -15.052 -6.356 452 HD3 LYS 62 HD1 LYS 62 12.064 -14.400 -4.730 453 HE2 LYS 62 HE2 LYS 62 12.402 -16.810 -4.744 454 HE3 LYS 62 HE1 LYS 62 10.981 -16.381 -3.792 455 HZ1 LYS 62 HZ1 LYS 62 10.925 -17.358 -6.598 456 HZ2 LYS 62 HZ2 LYS 62 9.577 -17.010 -5.637 457 HZ3 LYS 62 HZ3 LYS 62 10.591 -18.301 -5.232 458 H GLY 63 HN GLY 63 8.068 -11.003 -3.807 459 HA2 GLY 63 HA2 GLY 63 8.924 -9.764 -6.338 460 HA3 GLY 63 HA1 GLY 63 7.245 -10.125 -5.972 461 H ILE 64 HN ILE 64 9.983 -8.464 -4.441 462 HA ILE 64 HA ILE 64 8.076 -6.400 -3.612 463 HB ILE 64 HB ILE 64 10.619 -7.307 -2.293 464 HG12 ILE 64 HG12 ILE 64 8.982 -8.785 -1.656 465 HG13 ILE 64 HG11 ILE 64 8.815 -7.548 -0.414 466 HG21 ILE 64 HG21 ILE 64 8.888 -4.927 -1.725 467 HG22 ILE 64 HG22 ILE 64 10.642 -4.997 -1.916 468 HG23 ILE 64 HG23 ILE 64 9.880 -5.692 -0.483 469 HD11 ILE 64 HD11 ILE 64 7.051 -6.538 -2.017 470 HD12 ILE 64 HD12 ILE 64 6.638 -7.941 -1.030 471 HD13 ILE 64 HD13 ILE 64 7.044 -8.156 -2.742 472 H LEU 65 HN LEU 65 8.419 -4.379 -3.731 473 HA LEU 65 HA LEU 65 9.304 -3.117 -5.855 474 HB2 LEU 65 HB2 LEU 65 9.798 -1.215 -4.121 475 HB3 LEU 65 HB1 LEU 65 8.171 -1.759 -4.449 476 HG LEU 65 HG LEU 65 8.531 -3.341 -2.488 477 HD11 LEU 65 HD11 LEU 65 10.166 -2.421 -0.807 478 HD12 LEU 65 HD12 LEU 65 10.826 -1.440 -2.119 479 HD13 LEU 65 HD13 LEU 65 10.887 -3.199 -2.219 480 HD21 LEU 65 HD21 LEU 65 8.577 -0.498 -1.595 481 HD22 LEU 65 HD22 LEU 65 7.545 -1.828 -1.057 482 HD23 LEU 65 HD23 LEU 65 7.258 -1.064 -2.622 483 H GLU 66 HN GLU 66 11.109 -1.698 -6.375 484 HA GLU 66 HA GLU 66 13.609 -2.091 -4.960 485 HB2 GLU 66 HB2 GLU 66 13.230 -3.167 -7.758 486 HB3 GLU 66 HB1 GLU 66 14.810 -2.846 -7.054 487 HG2 GLU 66 HG2 GLU 66 13.973 -4.391 -5.139 488 HG3 GLU 66 HG1 GLU 66 12.812 -4.943 -6.345 489 H GLY 67 HN GLY 67 14.250 -0.037 -4.783 490 HA2 GLY 67 HA2 GLY 67 14.913 2.086 -5.430 491 HA3 GLY 67 HA1 GLY 67 14.786 1.552 -7.107 492 H LYS 68 HN LYS 68 12.019 0.655 -5.844 493 HA LYS 68 HA LYS 68 10.574 3.184 -6.189 494 HB2 LYS 68 HB2 LYS 68 9.072 2.201 -7.704 495 HB3 LYS 68 HB1 LYS 68 10.614 1.519 -8.202 496 HG2 LYS 68 HG2 LYS 68 9.677 -0.467 -8.051 497 HG3 LYS 68 HG1 LYS 68 9.693 -0.252 -6.304 498 HD2 LYS 68 HD2 LYS 68 7.463 0.833 -6.463 499 HD3 LYS 68 HD1 LYS 68 7.445 0.448 -8.188 500 HE2 LYS 68 HE2 LYS 68 7.952 -1.709 -6.197 501 HE3 LYS 68 HE1 LYS 68 6.295 -1.153 -6.467 502 HZ1 LYS 68 HZ1 LYS 68 6.869 -3.051 -7.867 503 HZ2 LYS 68 HZ2 LYS 68 8.134 -2.175 -8.568 504 HZ3 LYS 68 HZ3 LYS 68 6.534 -1.683 -8.805 505 H PHE 69 HN PHE 69 8.809 3.375 -4.730 506 HA PHE 69 HA PHE 69 8.405 1.015 -3.011 507 HB2 PHE 69 HB2 PHE 69 8.939 2.309 -1.239 508 HB3 PHE 69 HB1 PHE 69 8.995 3.757 -2.247 509 HD1 PHE 69 HD2 PHE 69 6.735 1.546 -0.325 510 HD2 PHE 69 HD1 PHE 69 7.237 5.291 -2.251 511 HE1 PHE 69 HE2 PHE 69 4.615 2.335 0.618 512 HE2 PHE 69 HE1 PHE 69 5.104 6.062 -1.322 513 HZ PHE 69 HZ PHE 69 3.790 4.580 0.123 514 H THR 70 HN THR 70 6.329 0.350 -2.609 515 HA THR 70 HA THR 70 4.159 2.193 -3.066 516 HB THR 70 HB THR 70 3.794 -0.413 -4.470 517 HG1 THR 70 HG1 THR 70 4.492 1.537 -6.210 518 HG21 THR 70 HG21 THR 70 2.729 2.411 -4.877 519 HG22 THR 70 HG22 THR 70 1.870 1.079 -4.095 520 HG23 THR 70 HG23 THR 70 2.250 0.996 -5.815 521 H LEU 71 HN LEU 71 2.993 2.010 -1.282 522 HA LEU 71 HA LEU 71 2.638 -0.668 -0.128 523 HB2 LEU 71 HB2 LEU 71 2.581 2.072 1.073 524 HB3 LEU 71 HB1 LEU 71 1.784 0.732 1.869 525 HG LEU 71 HG LEU 71 4.529 1.502 1.930 526 HD11 LEU 71 HD11 LEU 71 3.210 0.961 3.862 527 HD12 LEU 71 HD12 LEU 71 4.576 -0.154 3.752 528 HD13 LEU 71 HD13 LEU 71 2.963 -0.686 3.278 529 HD21 LEU 71 HD21 LEU 71 4.965 -0.049 0.139 530 HD22 LEU 71 HD22 LEU 71 4.049 -1.313 0.960 531 HD23 LEU 71 HD23 LEU 71 5.562 -0.728 1.654 532 H LYS 72 HN LYS 72 0.595 -1.376 0.450 533 HA LYS 72 HA LYS 72 -1.586 0.156 -0.790 534 HB2 LYS 72 HB2 LYS 72 -1.344 -1.899 -1.975 535 HB3 LYS 72 HB1 LYS 72 -1.226 -2.822 -0.482 536 HG2 LYS 72 HG2 LYS 72 -3.673 -1.479 -0.327 537 HG3 LYS 72 HG1 LYS 72 -3.554 -2.066 -1.988 538 HD2 LYS 72 HD2 LYS 72 -4.607 -3.778 -0.697 539 HD3 LYS 72 HD1 LYS 72 -2.972 -4.322 -1.059 540 HE2 LYS 72 HE2 LYS 72 -3.626 -2.913 1.507 541 HE3 LYS 72 HE1 LYS 72 -3.857 -4.650 1.327 542 HZ1 LYS 72 HZ1 LYS 72 -1.309 -3.149 1.082 543 HZ2 LYS 72 HZ2 LYS 72 -1.478 -4.784 0.683 544 HZ3 LYS 72 HZ3 LYS 72 -1.725 -4.273 2.276 545 H ALA 73 HN ALA 73 -3.359 0.547 0.269 546 HA ALA 73 HA ALA 73 -3.470 -0.242 3.097 547 HB1 ALA 73 HB1 ALA 73 -4.479 1.863 3.550 548 HB2 ALA 73 HB2 ALA 73 -4.771 2.156 1.832 549 HB3 ALA 73 HB3 ALA 73 -3.123 2.193 2.457 550 H VAL 74 HN VAL 74 -5.504 -0.781 3.939 551 HA VAL 74 HA VAL 74 -7.615 -1.290 1.961 552 HB VAL 74 HB VAL 74 -6.413 -3.194 3.937 553 HG11 VAL 74 HG11 VAL 74 -8.752 -3.307 4.471 554 HG12 VAL 74 HG12 VAL 74 -8.363 -4.706 3.470 555 HG13 VAL 74 HG13 VAL 74 -9.193 -3.321 2.765 556 HG21 VAL 74 HG21 VAL 74 -6.171 -4.609 2.080 557 HG22 VAL 74 HG22 VAL 74 -5.741 -2.997 1.496 558 HG23 VAL 74 HG23 VAL 74 -7.326 -3.683 1.115 559 H ALA 75 HN ALA 75 -9.724 -1.109 2.718 560 HA ALA 75 HA ALA 75 -10.126 0.713 4.814 561 HB1 ALA 75 HB1 ALA 75 -11.780 0.744 3.204 562 HB2 ALA 75 HB2 ALA 75 -12.574 -0.070 4.554 563 HB3 ALA 75 HB3 ALA 75 -11.954 -1.016 3.196 564 H LEU 76 HN LEU 76 -10.664 0.498 6.897 565 HA LEU 76 HA LEU 76 -10.166 -1.983 8.202 566 HB2 LEU 76 HB2 LEU 76 -11.357 0.584 9.267 567 HB3 LEU 76 HB1 LEU 76 -10.746 -0.744 10.247 568 HG LEU 76 HG LEU 76 -9.047 0.778 8.289 569 HD11 LEU 76 HD11 LEU 76 -9.789 2.362 9.944 570 HD12 LEU 76 HD12 LEU 76 -8.096 1.949 10.230 571 HD13 LEU 76 HD13 LEU 76 -9.360 1.250 11.247 572 HD21 LEU 76 HD21 LEU 76 -8.272 -0.963 10.624 573 HD22 LEU 76 HD22 LEU 76 -7.195 -0.242 9.426 574 HD23 LEU 76 HD23 LEU 76 -8.329 -1.507 8.947 575 H ASP 77 HN ASP 77 -12.851 -0.094 7.183 576 HA ASP 77 HA ASP 77 -14.792 -2.107 8.073 577 HB2 ASP 77 HB2 ASP 77 -15.510 0.428 6.617 578 HB3 ASP 77 HB1 ASP 77 -16.487 -0.516 7.730 579 H ARG 78 HN ARG 78 -12.791 -2.457 5.904 580 HA ARG 78 HA ARG 78 -13.784 -2.156 3.363 581 HB2 ARG 78 HB2 ARG 78 -12.114 -3.534 2.649 582 HB3 ARG 78 HB1 ARG 78 -11.505 -3.035 4.206 583 HG2 ARG 78 HG2 ARG 78 -11.296 -5.151 4.808 584 HG3 ARG 78 HG1 ARG 78 -13.031 -5.402 4.571 585 HD2 ARG 78 HD2 ARG 78 -12.625 -5.729 2.169 586 HD3 ARG 78 HD1 ARG 78 -10.894 -5.556 2.455 587 HE ARG 78 HE ARG 78 -11.818 -7.587 4.124 588 HH11 ARG 78 HH11 ARG 78 -11.506 -6.961 0.711 589 HH12 ARG 78 HH12 ARG 78 -11.297 -8.628 0.292 590 HH21 ARG 78 HH21 ARG 78 -11.540 -9.786 3.581 591 HH22 ARG 78 HH22 ARG 78 -11.316 -10.233 1.923 592 H GLU 79 HN GLU 79 -14.843 -4.437 5.763 593 HA GLU 79 HA GLU 79 -16.039 -6.378 4.172 594 HB2 GLU 79 HB2 GLU 79 -17.381 -5.197 6.603 595 HB3 GLU 79 HB1 GLU 79 -17.474 -6.852 6.015 596 HG2 GLU 79 HG2 GLU 79 -15.147 -7.214 6.621 597 HG3 GLU 79 HG1 GLU 79 -15.026 -5.545 7.177 598 H ALA 80 HN ALA 80 -16.780 -3.126 4.787 599 HA ALA 80 HA ALA 80 -19.256 -3.173 3.242 600 HB1 ALA 80 HB1 ALA 80 -19.587 -2.173 5.362 601 HB2 ALA 80 HB2 ALA 80 -19.480 -0.833 4.218 602 HB3 ALA 80 HB3 ALA 80 -18.091 -1.240 5.237 603 H GLU 81 HN GLU 81 -15.966 -2.105 3.261 604 HA GLU 81 HA GLU 81 -16.389 -0.649 0.723 605 HB2 GLU 81 HB2 GLU 81 -14.095 0.105 2.447 606 HB3 GLU 81 HB1 GLU 81 -15.087 1.097 1.384 607 HG2 GLU 81 HG2 GLU 81 -16.920 0.940 3.060 608 HG3 GLU 81 HG1 GLU 81 -15.792 0.114 4.135 609 HA PRO 82 HA PRO 82 -13.486 -4.213 -0.063 610 HB2 PRO 82 HB2 PRO 82 -14.165 -4.296 -2.740 611 HB3 PRO 82 HB1 PRO 82 -14.954 -5.246 -1.474 612 HG2 PRO 82 HG2 PRO 82 -15.817 -2.667 -2.726 613 HG3 PRO 82 HG1 PRO 82 -16.792 -4.084 -2.285 614 HD2 PRO 82 HD2 PRO 82 -16.755 -1.882 -0.767 615 HD3 PRO 82 HD1 PRO 82 -16.835 -3.499 -0.039 616 H ARG 83 HN ARG 83 -13.860 -1.018 -1.183 617 HA ARG 83 HA ARG 83 -11.921 -0.818 -3.163 618 HB2 ARG 83 HB2 ARG 83 -12.979 1.157 -1.178 619 HB3 ARG 83 HB1 ARG 83 -11.696 1.600 -2.291 620 HG2 ARG 83 HG2 ARG 83 -13.274 0.737 -4.120 621 HG3 ARG 83 HG1 ARG 83 -14.525 0.858 -2.880 622 HD2 ARG 83 HD2 ARG 83 -14.062 3.208 -2.586 623 HD3 ARG 83 HD1 ARG 83 -12.713 3.116 -3.718 624 HE ARG 83 HE ARG 83 -15.023 2.241 -5.028 625 HH11 ARG 83 HH11 ARG 83 -13.689 5.163 -3.674 626 HH12 ARG 83 HH12 ARG 83 -14.541 6.207 -4.762 627 HH21 ARG 83 HH21 ARG 83 -16.147 3.608 -6.462 628 HH22 ARG 83 HH22 ARG 83 -15.935 5.324 -6.349 629 H VAL 84 HN VAL 84 -9.823 -0.465 -3.231 630 HA VAL 84 HA VAL 84 -8.281 -0.470 -0.719 631 HB VAL 84 HB VAL 84 -6.798 -1.615 -2.923 632 HG11 VAL 84 HG11 VAL 84 -5.809 -2.368 -1.106 633 HG12 VAL 84 HG12 VAL 84 -7.133 -3.527 -0.958 634 HG13 VAL 84 HG13 VAL 84 -7.209 -1.983 -0.107 635 HG21 VAL 84 HG21 VAL 84 -7.972 -3.602 -3.366 636 HG22 VAL 84 HG22 VAL 84 -9.180 -2.321 -3.515 637 HG23 VAL 84 HG23 VAL 84 -9.113 -3.306 -2.051 638 H LEU 85 HN LEU 85 -6.020 0.439 -1.048 639 HA LEU 85 HA LEU 85 -5.833 2.212 -3.371 640 HB2 LEU 85 HB2 LEU 85 -6.899 3.457 -1.458 641 HB3 LEU 85 HB1 LEU 85 -5.396 3.266 -0.585 642 HG LEU 85 HG LEU 85 -4.313 4.441 -2.615 643 HD11 LEU 85 HD11 LEU 85 -5.950 6.107 -3.636 644 HD12 LEU 85 HD12 LEU 85 -7.233 5.023 -3.077 645 HD13 LEU 85 HD13 LEU 85 -6.017 4.445 -4.231 646 HD21 LEU 85 HD21 LEU 85 -5.994 5.722 -0.492 647 HD22 LEU 85 HD22 LEU 85 -5.125 6.707 -1.669 648 HD23 LEU 85 HD23 LEU 85 -4.237 5.607 -0.615 649 H ARG 86 HN ARG 86 -3.738 3.197 -3.608 650 HA ARG 86 HA ARG 86 -1.506 2.080 -2.129 651 HB2 ARG 86 HB2 ARG 86 -0.827 0.589 -3.668 652 HB3 ARG 86 HB1 ARG 86 -2.296 0.868 -4.559 653 HG2 ARG 86 HG2 ARG 86 -1.198 2.634 -5.828 654 HG3 ARG 86 HG1 ARG 86 0.287 2.351 -4.922 655 HD2 ARG 86 HD2 ARG 86 0.507 0.151 -5.821 656 HD3 ARG 86 HD1 ARG 86 -1.101 0.223 -6.538 657 HE ARG 86 HE ARG 86 0.347 2.315 -7.629 658 HH11 ARG 86 HH11 ARG 86 0.528 -1.166 -7.555 659 HH12 ARG 86 HH12 ARG 86 1.284 -1.286 -9.109 660 HH21 ARG 86 HH21 ARG 86 1.341 2.162 -9.675 661 HH22 ARG 86 HH22 ARG 86 1.750 0.604 -10.310 662 H LEU 87 HN LEU 87 0.356 3.350 -2.318 663 HA LEU 87 HA LEU 87 0.342 5.581 -4.181 664 HB2 LEU 87 HB2 LEU 87 -0.850 6.320 -2.064 665 HB3 LEU 87 HB1 LEU 87 0.663 6.064 -1.228 666 HG LEU 87 HG LEU 87 1.699 7.906 -2.186 667 HD11 LEU 87 HD11 LEU 87 -0.274 7.507 -4.384 668 HD12 LEU 87 HD12 LEU 87 1.471 7.725 -4.468 669 HD13 LEU 87 HD13 LEU 87 0.422 9.104 -4.135 670 HD21 LEU 87 HD21 LEU 87 0.168 9.757 -1.879 671 HD22 LEU 87 HD22 LEU 87 -0.114 8.526 -0.646 672 HD23 LEU 87 HD23 LEU 87 -1.214 8.670 -2.017 673 H ASN 88 HN ASN 88 2.339 5.888 -4.951 674 HA ASN 88 HA ASN 88 4.502 4.438 -3.603 675 HB2 ASN 88 HB2 ASN 88 5.705 4.822 -5.836 676 HB3 ASN 88 HB1 ASN 88 4.336 3.715 -5.829 677 HD21 ASN 88 HD21 ASN 88 4.013 3.999 -8.034 678 HD22 ASN 88 HD22 ASN 88 3.314 5.443 -8.675 679 H GLU 89 HN GLU 89 6.762 5.475 -4.131 680 HA GLU 89 HA GLU 89 6.994 7.799 -2.560 681 HB2 GLU 89 HB2 GLU 89 9.313 7.661 -2.960 682 HB3 GLU 89 HB1 GLU 89 8.736 6.004 -2.979 683 HG2 GLU 89 HG2 GLU 89 8.788 5.965 -5.394 684 HG3 GLU 89 HG1 GLU 89 9.268 7.660 -5.435 685 H SER 90 HN SER 90 6.000 7.467 -5.739 686 HA SER 90 HA SER 90 6.975 10.110 -6.561 687 HB2 SER 90 HB2 SER 90 6.167 9.493 -8.813 688 HB3 SER 90 HB1 SER 90 7.315 8.310 -8.191 689 HG SER 90 HG SER 90 5.336 7.460 -9.180 690 H LEU 91 HN LEU 91 4.748 9.152 -4.702 691 HA LEU 91 HA LEU 91 2.728 9.829 -4.012 692 HB2 LEU 91 HB2 LEU 91 3.659 12.148 -5.615 693 HB3 LEU 91 HB1 LEU 91 2.110 12.183 -4.791 694 HG LEU 91 HG LEU 91 4.516 12.941 -3.729 695 HD11 LEU 91 HD11 LEU 91 2.220 13.543 -3.005 696 HD12 LEU 91 HD12 LEU 91 3.327 13.214 -1.672 697 HD13 LEU 91 HD13 LEU 91 2.140 12.001 -2.152 698 HD21 LEU 91 HD21 LEU 91 3.848 10.284 -2.495 699 HD22 LEU 91 HD22 LEU 91 5.118 11.396 -1.986 700 HD23 LEU 91 HD23 LEU 91 5.232 10.584 -3.549 701 H THR 92 HN THR 92 2.995 8.375 -6.625 702 HA THR 92 HA THR 92 0.504 9.119 -7.959 703 HB THR 92 HB THR 92 2.596 7.044 -8.623 704 HG1 THR 92 HG1 THR 92 1.795 9.387 -10.034 705 HG21 THR 92 HG21 THR 92 0.053 7.720 -10.107 706 HG22 THR 92 HG22 THR 92 0.400 6.204 -9.272 707 HG23 THR 92 HG23 THR 92 1.331 6.659 -10.702 708 H ALA 93 HN ALA 93 -1.321 8.291 -7.156 709 HA ALA 93 HA ALA 93 -1.175 5.706 -5.745 710 HB1 ALA 93 HB1 ALA 93 -3.516 7.520 -5.477 711 HB2 ALA 93 HB2 ALA 93 -2.017 7.943 -4.649 712 HB3 ALA 93 HB3 ALA 93 -2.813 6.407 -4.304 713 H VAL 94 HN VAL 94 -2.859 4.264 -5.897 714 HA VAL 94 HA VAL 94 -4.783 4.611 -8.055 715 HB VAL 94 HB VAL 94 -2.862 3.387 -9.082 716 HG11 VAL 94 HG11 VAL 94 -3.518 0.908 -7.623 717 HG12 VAL 94 HG12 VAL 94 -2.608 2.112 -6.714 718 HG13 VAL 94 HG13 VAL 94 -1.969 1.487 -8.236 719 HG21 VAL 94 HG21 VAL 94 -4.272 1.445 -9.904 720 HG22 VAL 94 HG22 VAL 94 -4.996 3.046 -10.067 721 HG23 VAL 94 HG23 VAL 94 -5.506 1.974 -8.757 722 H VAL 95 HN VAL 95 -6.652 3.929 -7.596 723 HA VAL 95 HA VAL 95 -7.059 2.491 -5.089 724 HB VAL 95 HB VAL 95 -8.136 4.603 -5.108 725 HG11 VAL 95 HG11 VAL 95 -7.981 4.925 -7.548 726 HG12 VAL 95 HG12 VAL 95 -9.585 5.337 -6.915 727 HG13 VAL 95 HG13 VAL 95 -9.341 3.809 -7.762 728 HG21 VAL 95 HG21 VAL 95 -9.477 2.701 -4.249 729 HG22 VAL 95 HG22 VAL 95 -10.242 2.569 -5.836 730 HG23 VAL 95 HG23 VAL 95 -10.465 4.026 -4.869 731 H CYS 96 HN CYS 96 -8.465 0.792 -4.954 732 HA CYS 96 HA CYS 96 -9.376 -0.406 -7.465 733 HB2 CYS 96 HB2 CYS 96 -8.112 -1.683 -5.045 734 HB3 CYS 96 HB1 CYS 96 -9.075 -2.608 -6.189 735 H GLY 97 HN GLY 97 -11.212 -1.840 -7.203 736 HA2 GLY 97 HA2 GLY 97 -12.974 -0.883 -5.046 737 HA3 GLY 97 HA1 GLY 97 -13.532 -1.260 -6.672 738 H LYS 98 HN LYS 98 -11.167 -3.366 -5.938 739 HA LYS 98 HA LYS 98 -12.716 -5.290 -4.436 740 HB2 LYS 98 HB2 LYS 98 -13.150 -5.280 -7.083 741 HB3 LYS 98 HB1 LYS 98 -11.720 -6.283 -7.039 742 HG2 LYS 98 HG2 LYS 98 -14.298 -6.771 -5.577 743 HG3 LYS 98 HG1 LYS 98 -13.709 -7.639 -7.003 744 HD2 LYS 98 HD2 LYS 98 -12.876 -9.108 -5.518 745 HD3 LYS 98 HD1 LYS 98 -11.625 -7.891 -5.244 746 HE2 LYS 98 HE2 LYS 98 -12.477 -8.517 -3.112 747 HE3 LYS 98 HE1 LYS 98 -13.088 -6.904 -3.480 748 HZ1 LYS 98 HZ1 LYS 98 -15.179 -7.921 -4.189 749 HZ2 LYS 98 HZ2 LYS 98 -14.834 -8.270 -2.571 750 HZ3 LYS 98 HZ3 LYS 98 -14.592 -9.449 -3.760 751 H MET 99 HN MET 99 -11.350 -6.272 -3.105 752 HA MET 99 HA MET 99 -8.565 -6.490 -3.946 753 HB2 MET 99 HB2 MET 99 -9.122 -4.978 -1.971 754 HB3 MET 99 HB1 MET 99 -9.446 -6.440 -1.083 755 HG2 MET 99 HG2 MET 99 -7.257 -5.619 -0.562 756 HG3 MET 99 HG1 MET 99 -7.128 -7.151 -1.421 757 HE1 MET 99 HE1 MET 99 -6.656 -7.511 -3.537 758 HE2 MET 99 HE2 MET 99 -5.382 -6.674 -4.434 759 HE3 MET 99 HE3 MET 99 -7.078 -6.279 -4.722 760 H LYS 100 HN LYS 100 -8.193 -8.446 -4.610 761 HA LYS 100 HA LYS 100 -9.711 -10.701 -3.688 762 HB2 LYS 100 HB2 LYS 100 -7.331 -10.571 -5.546 763 HB3 LYS 100 HB1 LYS 100 -8.327 -11.993 -5.272 764 HG2 LYS 100 HG2 LYS 100 -10.247 -10.895 -6.219 765 HG3 LYS 100 HG1 LYS 100 -9.352 -9.383 -6.366 766 HD2 LYS 100 HD2 LYS 100 -7.804 -10.473 -7.937 767 HD3 LYS 100 HD1 LYS 100 -8.744 -11.962 -7.810 768 HE2 LYS 100 HE2 LYS 100 -9.774 -9.310 -8.816 769 HE3 LYS 100 HE1 LYS 100 -9.313 -10.681 -9.826 770 HZ1 LYS 100 HZ1 LYS 100 -11.495 -10.686 -7.810 771 HZ2 LYS 100 HZ2 LYS 100 -11.062 -11.986 -8.801 772 HZ3 LYS 100 HZ3 LYS 100 -11.705 -10.578 -9.485 773 H GLY 101 HN GLY 101 -6.166 -10.615 -3.985 774 HA2 GLY 101 HA2 GLY 101 -6.008 -12.278 -1.579 775 HA3 GLY 101 HA1 GLY 101 -4.734 -12.036 -2.763 776 H LYS 102 HN LYS 102 -3.071 -11.060 -1.963 777 HA LYS 102 HA LYS 102 -1.707 -9.756 -0.717 778 HB2 LYS 102 HB2 LYS 102 -3.385 -7.458 -0.311 779 HB3 LYS 102 HB1 LYS 102 -1.972 -7.641 -1.335 780 HG2 LYS 102 HG2 LYS 102 -4.039 -8.913 -2.702 781 HG3 LYS 102 HG1 LYS 102 -4.734 -7.429 -2.055 782 HD2 LYS 102 HD2 LYS 102 -3.655 -6.202 -3.552 783 HD3 LYS 102 HD1 LYS 102 -2.108 -6.954 -3.145 784 HE2 LYS 102 HE2 LYS 102 -3.021 -8.955 -4.522 785 HE3 LYS 102 HE1 LYS 102 -4.130 -7.762 -5.195 786 HZ1 LYS 102 HZ1 LYS 102 -1.164 -7.589 -5.248 787 HZ2 LYS 102 HZ2 LYS 102 -2.225 -6.433 -5.882 788 HZ3 LYS 102 HZ3 LYS 102 -2.156 -7.980 -6.562 789 H GLY 103 HN GLY 103 -4.440 -8.123 0.696 790 HA2 GLY 103 HA2 GLY 103 -4.842 -9.662 2.984 791 HA3 GLY 103 HA1 GLY 103 -3.541 -8.530 3.333 792 H SER 104 HN SER 104 -6.250 -8.678 4.461 793 HA SER 104 HA SER 104 -7.021 -5.911 3.879 794 HB2 SER 104 HB2 SER 104 -9.449 -6.697 4.114 795 HB3 SER 104 HB1 SER 104 -8.630 -7.088 2.609 796 HG SER 104 HG SER 104 -8.147 -9.165 3.625 797 H CYS 105 HN CYS 105 -7.802 -4.758 5.602 798 HA CYS 105 HA CYS 105 -7.088 -5.511 8.195 799 HB2 CYS 105 HB2 CYS 105 -9.411 -3.673 7.819 800 HB3 CYS 105 HB1 CYS 105 -8.043 -3.529 8.907 801 H THR 106 HN THR 106 -8.725 -5.746 10.045 802 HA THR 106 HA THR 106 -10.122 -7.287 11.026 803 HB THR 106 HB THR 106 -11.647 -5.452 10.674 804 HG1 THR 106 HG1 THR 106 -12.745 -7.181 11.469 805 HG21 THR 106 HG21 THR 106 -12.119 -6.619 7.928 806 HG22 THR 106 HG22 THR 106 -11.387 -5.058 8.308 807 HG23 THR 106 HG23 THR 106 -13.094 -5.343 8.660 808 H ASP 107 HN ASP 107 -8.589 -8.361 8.797 809 HA ASP 107 HA ASP 107 -10.134 -10.767 8.361 810 HB2 ASP 107 HB2 ASP 107 -9.233 -9.008 6.069 811 HB3 ASP 107 HB1 ASP 107 -9.604 -10.720 5.874 812 H GLY 108 HN GLY 108 -7.139 -8.970 8.091 813 HA2 GLY 108 HA2 GLY 108 -5.270 -10.354 9.134 814 HA3 GLY 108 HA1 GLY 108 -5.663 -11.515 7.877 815 H GLU 109 HN GLU 109 -4.862 -8.050 8.201 816 HA GLU 109 HA GLU 109 -3.800 -7.850 5.569 817 HB2 GLU 109 HB2 GLU 109 -3.013 -5.648 6.247 818 HB3 GLU 109 HB1 GLU 109 -4.663 -5.901 6.811 819 HG2 GLU 109 HG2 GLU 109 -3.841 -6.410 9.038 820 HG3 GLU 109 HG1 GLU 109 -2.182 -6.212 8.483 821 H GLU 110 HN GLU 110 -1.655 -7.790 4.872 822 HA GLU 110 HA GLU 110 0.484 -8.190 6.751 823 HB2 GLU 110 HB2 GLU 110 1.279 -10.284 5.702 824 HB3 GLU 110 HB1 GLU 110 -0.250 -10.464 6.552 825 HG2 GLU 110 HG2 GLU 110 -1.385 -10.144 4.356 826 HG3 GLU 110 HG1 GLU 110 0.203 -10.269 3.608 827 H ILE 111 HN ILE 111 -0.310 -8.490 3.293 828 HA ILE 111 HA ILE 111 1.575 -6.415 2.646 829 HB ILE 111 HB ILE 111 2.781 -7.828 0.959 830 HG12 ILE 111 HG12 ILE 111 2.934 -10.291 1.760 831 HG13 ILE 111 HG11 ILE 111 1.369 -9.974 2.499 832 HG21 ILE 111 HG21 ILE 111 3.635 -7.038 3.224 833 HG22 ILE 111 HG22 ILE 111 4.499 -8.366 2.439 834 HG23 ILE 111 HG23 ILE 111 3.371 -8.703 3.758 835 HD11 ILE 111 HD11 ILE 111 2.052 -10.499 -0.240 836 HD12 ILE 111 HD12 ILE 111 1.124 -9.011 -0.065 837 HD13 ILE 111 HD13 ILE 111 0.482 -10.528 0.566 838 H PHE 112 HN PHE 112 1.824 -6.373 0.108 839 HA PHE 112 HA PHE 112 -0.912 -6.400 -0.964 840 HB2 PHE 112 HB2 PHE 112 -0.004 -4.190 -0.794 841 HB3 PHE 112 HB1 PHE 112 1.504 -4.682 -1.543 842 HD1 PHE 112 HD2 PHE 112 -2.126 -4.832 -2.443 843 HD2 PHE 112 HD1 PHE 112 1.833 -3.820 -3.618 844 HE1 PHE 112 HE2 PHE 112 -2.973 -4.069 -4.623 845 HE2 PHE 112 HE1 PHE 112 0.995 -3.050 -5.798 846 HZ PHE 112 HZ PHE 112 -1.412 -3.176 -6.305 847 H ARG 113 HN ARG 113 -0.334 -8.827 -1.422 848 HA ARG 113 HA ARG 113 0.960 -8.983 -4.063 849 HB2 ARG 113 HB2 ARG 113 1.813 -11.105 -3.582 850 HB3 ARG 113 HB1 ARG 113 2.057 -10.221 -2.089 851 HG2 ARG 113 HG2 ARG 113 0.010 -11.238 -1.176 852 HG3 ARG 113 HG1 ARG 113 -0.149 -12.188 -2.661 853 HD2 ARG 113 HD2 ARG 113 2.040 -13.192 -2.226 854 HD3 ARG 113 HD1 ARG 113 2.171 -12.237 -0.750 855 HE ARG 113 HE ARG 113 -0.147 -13.971 -0.940 856 HH11 ARG 113 HH11 ARG 113 3.106 -13.536 0.231 857 HH12 ARG 113 HH12 ARG 113 2.968 -14.758 1.450 858 HH21 ARG 113 HH21 ARG 113 -0.337 -15.580 0.665 859 HH22 ARG 113 HH22 ARG 113 1.012 -15.919 1.697 860 H GLY 114 HN GLY 114 0.035 -10.469 -5.615 861 HA2 GLY 114 HA2 GLY 114 -1.711 -12.124 -6.081 862 HA3 GLY 114 HA1 GLY 114 -2.736 -11.256 -4.951 863 H ASN 115 HN ASN 115 -4.353 -10.353 -5.979 864 HA ASN 115 HA ASN 115 -3.809 -8.622 -8.242 865 HB2 ASN 115 HB2 ASN 115 -5.309 -11.179 -8.416 866 HB3 ASN 115 HB1 ASN 115 -5.942 -9.805 -9.317 867 HD21 ASN 115 HD21 ASN 115 -4.808 -12.293 -10.295 868 HD22 ASN 115 HD22 ASN 115 -3.464 -11.858 -11.290 869 H ASP 116 HN ASP 116 -5.322 -7.069 -8.626 870 HA ASP 116 HA ASP 116 -7.563 -6.891 -6.722 871 HB2 ASP 116 HB2 ASP 116 -6.928 -4.269 -7.439 872 HB3 ASP 116 HB1 ASP 116 -6.615 -5.030 -5.888 873 H ALA 117 HN ALA 117 -9.474 -5.993 -7.498 874 HA ALA 117 HA ALA 117 -9.603 -5.674 -10.429 875 HB1 ALA 117 HB1 ALA 117 -10.755 -7.709 -9.439 876 HB2 ALA 117 HB2 ALA 117 -11.743 -6.663 -10.459 877 HB3 ALA 117 HB3 ALA 117 -11.898 -6.580 -8.701 878 H GLU 118 HN GLU 118 -11.467 -4.368 -11.168 879 HA GLU 118 HA GLU 118 -12.434 -2.311 -11.302 880 HB2 GLU 118 HB2 GLU 118 -12.984 -3.060 -8.427 881 HB3 GLU 118 HB1 GLU 118 -13.734 -1.685 -9.237 882 HG2 GLU 118 HG2 GLU 118 -14.665 -3.267 -10.913 883 HG3 GLU 118 HG1 GLU 118 -14.012 -4.594 -9.951 884 H CYS 119 HN CYS 119 -9.884 -1.726 -11.334 885 HA CYS 119 HA CYS 119 -9.526 0.280 -9.194 886 HB2 CYS 119 HB2 CYS 119 -7.200 -0.873 -10.688 887 HB3 CYS 119 HB1 CYS 119 -7.225 -0.071 -9.129 888 H ARG 120 HN ARG 120 -8.742 2.239 -9.642 889 HA ARG 120 HA ARG 120 -8.100 3.011 -12.371 890 HB2 ARG 120 HB2 ARG 120 -9.676 4.700 -12.455 891 HB3 ARG 120 HB1 ARG 120 -10.566 3.399 -11.689 892 HG2 ARG 120 HG2 ARG 120 -11.077 4.809 -10.079 893 HG3 ARG 120 HG1 ARG 120 -9.382 4.758 -9.599 894 HD2 ARG 120 HD2 ARG 120 -9.980 7.052 -9.896 895 HD3 ARG 120 HD1 ARG 120 -8.925 6.565 -11.225 896 HE ARG 120 HE ARG 120 -11.387 6.179 -12.249 897 HH11 ARG 120 HH11 ARG 120 -9.900 8.889 -10.636 898 HH12 ARG 120 HH12 ARG 120 -10.817 10.073 -11.507 899 HH21 ARG 120 HH21 ARG 120 -12.596 7.732 -13.397 900 HH22 ARG 120 HH22 ARG 120 -12.349 9.416 -13.074 901 HA PRO 121 HA PRO 121 -4.957 5.397 -10.384 902 HB2 PRO 121 HB2 PRO 121 -4.782 7.630 -11.856 903 HB3 PRO 121 HB1 PRO 121 -4.303 6.048 -12.492 904 HG2 PRO 121 HG2 PRO 121 -6.902 7.497 -12.845 905 HG3 PRO 121 HG1 PRO 121 -5.873 6.751 -14.084 906 HD2 PRO 121 HD2 PRO 121 -8.015 5.468 -13.111 907 HD3 PRO 121 HD1 PRO 121 -6.513 4.597 -13.486 908 H PHE 122 HN PHE 122 -5.031 6.425 -8.500 909 HA PHE 122 HA PHE 122 -7.103 8.472 -8.090 910 HB2 PHE 122 HB2 PHE 122 -6.489 6.160 -6.610 911 HB3 PHE 122 HB1 PHE 122 -5.905 7.506 -5.652 912 HD1 PHE 122 HD2 PHE 122 -8.842 7.835 -7.860 913 HD2 PHE 122 HD1 PHE 122 -7.442 7.202 -3.899 914 HE1 PHE 122 HE2 PHE 122 -11.111 8.250 -6.997 915 HE2 PHE 122 HE1 PHE 122 -9.700 7.595 -3.025 916 HZ PHE 122 HZ PHE 122 -11.545 8.131 -4.574 917 H THR 123 HN THR 123 -6.596 10.418 -7.203 918 HA THR 123 HA THR 123 -3.759 10.914 -6.600 919 HB THR 123 HB THR 123 -3.994 13.171 -7.592 920 HG1 THR 123 HG1 THR 123 -6.598 12.313 -7.867 921 HG21 THR 123 HG21 THR 123 -3.031 11.321 -8.878 922 HG22 THR 123 HG22 THR 123 -3.878 12.470 -9.912 923 HG23 THR 123 HG23 THR 123 -4.632 10.928 -9.501 924 H GLY 124 HN GLY 124 -3.780 11.135 -4.460 925 HA2 GLY 124 HA2 GLY 124 -5.918 12.175 -2.945 926 HA3 GLY 124 HA1 GLY 124 -4.277 11.922 -2.373 Start of MODEL 18 1 H1 HIS 6 HT1 HIS 6 -20.060 5.380 -4.431 2 H2 HIS 6 HT2 HIS 6 -19.608 6.632 -3.388 3 H3 HIS 6 HT3 HIS 6 -21.034 6.757 -4.289 4 HA HIS 6 HA HIS 6 -21.538 6.228 -2.008 5 HB2 HIS 6 HB2 HIS 6 -22.976 5.340 -3.814 6 HB3 HIS 6 HB1 HIS 6 -21.992 3.882 -3.869 7 HD1 HIS 6 HD1 HIS 6 -24.616 5.599 -1.841 8 HD2 HIS 6 HD2 HIS 6 -22.437 2.060 -1.783 9 HE1 HIS 6 HE1 HIS 6 -25.748 4.140 -0.134 10 HE2 HIS 6 HE2 HIS 6 -24.364 2.035 -0.059 11 H ARG 7 HN ARG 7 -19.754 3.543 -3.534 12 HA ARG 7 HA ARG 7 -19.158 2.362 -0.966 13 HB2 ARG 7 HB2 ARG 7 -19.511 1.226 -3.328 14 HB3 ARG 7 HB1 ARG 7 -17.778 1.500 -3.459 15 HG2 ARG 7 HG2 ARG 7 -18.674 0.291 -0.936 16 HG3 ARG 7 HG1 ARG 7 -18.880 -0.704 -2.379 17 HD2 ARG 7 HD2 ARG 7 -16.304 0.648 -1.611 18 HD3 ARG 7 HD1 ARG 7 -16.695 -1.008 -1.202 19 HE ARG 7 HE ARG 7 -15.670 -0.116 -3.650 20 HH11 ARG 7 HH11 ARG 7 -18.143 -2.254 -2.431 21 HH12 ARG 7 HH12 ARG 7 -18.112 -3.287 -3.821 22 HH21 ARG 7 HH21 ARG 7 -15.627 -1.473 -5.479 23 HH22 ARG 7 HH22 ARG 7 -16.683 -2.844 -5.550 24 H SER 8 HN SER 8 -17.962 5.011 -2.426 25 HA SER 8 HA SER 8 -15.217 4.786 -2.523 26 HB2 SER 8 HB2 SER 8 -16.853 7.130 -1.514 27 HB3 SER 8 HB1 SER 8 -15.136 7.211 -1.917 28 HG SER 8 HG SER 8 -17.154 6.383 -3.735 29 H ALA 9 HN ALA 9 -14.384 3.429 -1.011 30 HA ALA 9 HA ALA 9 -14.888 3.450 1.728 31 HB1 ALA 9 HB1 ALA 9 -13.804 1.610 0.498 32 HB2 ALA 9 HB2 ALA 9 -12.896 2.099 1.935 33 HB3 ALA 9 HB3 ALA 9 -12.352 2.607 0.334 34 H ASN 10 HN ASN 10 -12.804 3.760 3.250 35 HA ASN 10 HA ASN 10 -12.412 6.601 3.326 36 HB2 ASN 10 HB2 ASN 10 -11.346 4.393 5.094 37 HB3 ASN 10 HB1 ASN 10 -11.152 6.113 5.415 38 HD21 ASN 10 HD21 ASN 10 -13.776 6.833 4.448 39 HD22 ASN 10 HD22 ASN 10 -14.905 6.291 5.638 40 H LEU 11 HN LEU 11 -11.239 5.567 0.991 41 HA LEU 11 HA LEU 11 -8.515 4.975 1.143 42 HB2 LEU 11 HB2 LEU 11 -9.764 6.694 -0.987 43 HB3 LEU 11 HB1 LEU 11 -8.355 5.678 -1.125 44 HG LEU 11 HG LEU 11 -10.943 4.393 -0.494 45 HD11 LEU 11 HD11 LEU 11 -11.463 5.983 -2.277 46 HD12 LEU 11 HD12 LEU 11 -11.536 4.313 -2.848 47 HD13 LEU 11 HD13 LEU 11 -10.136 5.321 -3.238 48 HD21 LEU 11 HD21 LEU 11 -10.024 2.552 -1.665 49 HD22 LEU 11 HD22 LEU 11 -8.726 3.192 -0.656 50 HD23 LEU 11 HD23 LEU 11 -8.763 3.555 -2.383 51 H ARG 12 HN ARG 12 -10.242 7.891 1.533 52 HA ARG 12 HA ARG 12 -8.319 9.808 0.918 53 HB2 ARG 12 HB2 ARG 12 -10.019 10.578 3.151 54 HB3 ARG 12 HB1 ARG 12 -9.919 11.262 1.536 55 HG2 ARG 12 HG2 ARG 12 -11.538 8.856 2.366 56 HG3 ARG 12 HG1 ARG 12 -12.161 10.461 1.988 57 HD2 ARG 12 HD2 ARG 12 -10.655 8.727 0.024 58 HD3 ARG 12 HD1 ARG 12 -12.416 8.763 0.154 59 HE ARG 12 HE ARG 12 -11.308 11.372 -0.211 60 HH11 ARG 12 HH11 ARG 12 -12.214 8.446 -1.869 61 HH12 ARG 12 HH12 ARG 12 -12.494 9.237 -3.384 62 HH21 ARG 12 HH21 ARG 12 -11.681 12.426 -2.202 63 HH22 ARG 12 HH22 ARG 12 -12.196 11.499 -3.572 64 H ALA 13 HN ALA 13 -9.042 8.238 4.019 65 HA ALA 13 HA ALA 13 -7.080 9.610 5.513 66 HB1 ALA 13 HB1 ALA 13 -8.893 8.284 6.533 67 HB2 ALA 13 HB2 ALA 13 -7.301 7.828 7.139 68 HB3 ALA 13 HB3 ALA 13 -8.113 6.813 5.948 69 H ALA 14 HN ALA 14 -7.055 6.768 3.532 70 HA ALA 14 HA ALA 14 -4.432 5.889 4.187 71 HB1 ALA 14 HB1 ALA 14 -5.993 5.274 1.683 72 HB2 ALA 14 HB2 ALA 14 -6.324 4.509 3.249 73 HB3 ALA 14 HB3 ALA 14 -4.755 4.287 2.467 74 H HIS 15 HN HIS 15 -5.815 7.860 1.631 75 HA HIS 15 HA HIS 15 -3.738 8.052 -0.123 76 HB2 HIS 15 HB2 HIS 15 -6.102 9.569 0.557 77 HB3 HIS 15 HB1 HIS 15 -4.792 10.657 0.142 78 HD1 HIS 15 HD1 HIS 15 -3.494 9.725 -2.201 79 HD2 HIS 15 HD2 HIS 15 -7.518 8.860 -1.622 80 HE1 HIS 15 HE1 HIS 15 -4.406 9.198 -4.476 81 HE2 HIS 15 HE2 HIS 15 -6.875 8.959 -4.127 82 H ALA 16 HN ALA 16 -4.163 9.513 3.025 83 HA ALA 16 HA ALA 16 -1.751 11.108 2.820 84 HB1 ALA 16 HB1 ALA 16 -3.649 10.666 5.124 85 HB2 ALA 16 HB2 ALA 16 -3.610 12.056 4.037 86 HB3 ALA 16 HB3 ALA 16 -2.267 11.762 5.145 87 H ALA 17 HN ALA 17 -2.761 8.015 4.049 88 HA ALA 17 HA ALA 17 -0.529 7.603 5.786 89 HB1 ALA 17 HB1 ALA 17 -1.208 5.212 5.698 90 HB2 ALA 17 HB2 ALA 17 -2.485 5.680 4.562 91 HB3 ALA 17 HB3 ALA 17 -2.483 6.322 6.205 92 H LEU 18 HN LEU 18 -1.371 6.091 2.648 93 HA LEU 18 HA LEU 18 1.127 4.935 2.166 94 HB2 LEU 18 HB2 LEU 18 -0.867 6.018 0.165 95 HB3 LEU 18 HB1 LEU 18 0.468 4.958 -0.232 96 HG LEU 18 HG LEU 18 -1.074 3.338 -0.108 97 HD11 LEU 18 HD11 LEU 18 0.240 2.935 1.926 98 HD12 LEU 18 HD12 LEU 18 -1.416 2.334 2.040 99 HD13 LEU 18 HD13 LEU 18 -0.965 3.835 2.850 100 HD21 LEU 18 HD21 LEU 18 -2.825 4.880 1.754 101 HD22 LEU 18 HD22 LEU 18 -3.269 3.662 0.556 102 HD23 LEU 18 HD23 LEU 18 -2.731 5.264 0.032 103 H LEU 19 HN LEU 19 -0.032 8.162 1.891 104 HA LEU 19 HA LEU 19 2.180 9.198 0.381 105 HB2 LEU 19 HB2 LEU 19 0.214 10.496 0.288 106 HB3 LEU 19 HB1 LEU 19 -0.059 10.376 2.008 107 HG LEU 19 HG LEU 19 0.679 12.634 0.982 108 HD11 LEU 19 HD11 LEU 19 0.444 12.137 3.374 109 HD12 LEU 19 HD12 LEU 19 1.791 13.230 3.041 110 HD13 LEU 19 HD13 LEU 19 2.100 11.529 3.391 111 HD21 LEU 19 HD21 LEU 19 2.928 13.007 0.581 112 HD22 LEU 19 HD22 LEU 19 2.666 11.417 -0.143 113 HD23 LEU 19 HD23 LEU 19 3.420 11.550 1.443 114 H GLU 20 HN GLU 20 1.171 9.052 3.726 115 HA GLU 20 HA GLU 20 3.293 10.273 5.013 116 HB2 GLU 20 HB2 GLU 20 1.168 9.559 6.083 117 HB3 GLU 20 HB1 GLU 20 1.691 7.893 5.945 118 HG2 GLU 20 HG2 GLU 20 3.512 9.722 7.349 119 HG3 GLU 20 HG1 GLU 20 1.984 9.348 8.144 120 H ASN 21 HN ASN 21 2.946 7.150 3.577 121 HA ASN 21 HA ASN 21 5.428 6.092 4.604 122 HB2 ASN 21 HB2 ASN 21 4.189 4.246 4.144 123 HB3 ASN 21 HB1 ASN 21 3.155 5.102 3.012 124 HD21 ASN 21 HD21 ASN 21 5.985 3.187 3.411 125 HD22 ASN 21 HD22 ASN 21 6.289 2.905 1.737 126 H ALA 22 HN ALA 22 4.106 7.234 1.553 127 HA ALA 22 HA ALA 22 6.194 6.909 -0.169 128 HB1 ALA 22 HB1 ALA 22 4.455 9.369 -0.058 129 HB2 ALA 22 HB2 ALA 22 3.957 7.820 -0.742 130 HB3 ALA 22 HB3 ALA 22 5.286 8.720 -1.473 131 H ARG 23 HN ARG 23 5.895 9.450 2.267 132 HA ARG 23 HA ARG 23 8.223 10.857 1.326 133 HB2 ARG 23 HB2 ARG 23 8.024 12.114 3.457 134 HB3 ARG 23 HB1 ARG 23 6.522 12.089 2.537 135 HG2 ARG 23 HG2 ARG 23 5.529 10.542 4.015 136 HG3 ARG 23 HG1 ARG 23 7.076 10.168 4.777 137 HD2 ARG 23 HD2 ARG 23 5.838 11.573 6.256 138 HD3 ARG 23 HD1 ARG 23 7.169 12.515 5.589 139 HE ARG 23 HE ARG 23 4.977 12.970 3.958 140 HH11 ARG 23 HH11 ARG 23 5.860 13.490 7.289 141 HH12 ARG 23 HH12 ARG 23 4.854 14.888 7.472 142 HH21 ARG 23 HH21 ARG 23 3.651 14.810 4.189 143 HH22 ARG 23 HH22 ARG 23 3.600 15.639 5.709 144 H PHE 24 HN PHE 24 7.476 8.673 4.007 145 HA PHE 24 HA PHE 24 10.053 8.569 5.109 146 HB2 PHE 24 HB2 PHE 24 7.533 7.130 5.381 147 HB3 PHE 24 HB1 PHE 24 8.923 6.081 5.607 148 HD1 PHE 24 HD2 PHE 24 10.691 6.823 7.302 149 HD2 PHE 24 HD1 PHE 24 6.797 8.523 7.083 150 HE1 PHE 24 HE2 PHE 24 10.934 7.666 9.602 151 HE2 PHE 24 HE1 PHE 24 7.033 9.371 9.380 152 HZ PHE 24 HZ PHE 24 9.104 8.943 10.643 153 H MET 25 HN MET 25 8.649 7.139 2.303 154 HA MET 25 HA MET 25 10.765 5.192 1.956 155 HB2 MET 25 HB2 MET 25 8.382 6.001 0.275 156 HB3 MET 25 HB1 MET 25 9.570 4.813 -0.251 157 HG2 MET 25 HG2 MET 25 7.290 4.231 1.102 158 HG3 MET 25 HG1 MET 25 8.719 3.202 1.043 159 HE1 MET 25 HE1 MET 25 9.722 2.261 3.193 160 HE2 MET 25 HE2 MET 25 10.141 3.322 4.540 161 HE3 MET 25 HE3 MET 25 10.756 3.671 2.923 162 H GLU 26 HN GLU 26 9.644 8.227 0.591 163 HA GLU 26 HA GLU 26 11.594 8.607 -1.365 164 HB2 GLU 26 HB2 GLU 26 9.788 10.342 0.255 165 HB3 GLU 26 HB1 GLU 26 11.139 11.136 -0.523 166 HG2 GLU 26 HG2 GLU 26 10.378 10.186 -2.684 167 HG3 GLU 26 HG1 GLU 26 8.962 9.560 -1.848 168 H GLN 27 HN GLN 27 11.568 8.774 2.056 169 HA GLN 27 HA GLN 27 14.123 10.092 2.311 170 HB2 GLN 27 HB2 GLN 27 12.062 9.092 4.206 171 HB3 GLN 27 HB1 GLN 27 13.672 9.437 4.792 172 HG2 GLN 27 HG2 GLN 27 11.866 11.369 3.372 173 HG3 GLN 27 HG1 GLN 27 12.165 11.321 5.107 174 HE21 GLN 27 HE21 GLN 27 14.148 12.014 5.908 175 HE22 GLN 27 HE22 GLN 27 15.242 12.958 4.961 176 H PHE 28 HN PHE 28 12.749 6.855 2.904 177 HA PHE 28 HA PHE 28 14.998 5.619 3.935 178 HB2 PHE 28 HB2 PHE 28 12.784 4.506 3.714 179 HB3 PHE 28 HB1 PHE 28 13.072 4.358 1.985 180 HD1 PHE 28 HD2 PHE 28 14.142 3.221 5.311 181 HD2 PHE 28 HD1 PHE 28 14.553 2.695 1.110 182 HE1 PHE 28 HE2 PHE 28 15.335 1.102 5.695 183 HE2 PHE 28 HE1 PHE 28 15.738 0.569 1.480 184 HZ PHE 28 HZ PHE 28 16.141 -0.222 3.781 185 H TYR 29 HN TYR 29 14.135 6.400 0.640 186 HA TYR 29 HA TYR 29 16.402 5.145 -0.579 187 HB2 TYR 29 HB2 TYR 29 14.391 5.564 -1.888 188 HB3 TYR 29 HB1 TYR 29 14.481 7.286 -1.548 189 HD1 TYR 29 HD1 TYR 29 15.993 4.521 -3.457 190 HD2 TYR 29 HD2 TYR 29 15.938 8.722 -2.792 191 HE1 TYR 29 HE1 TYR 29 17.319 4.857 -5.501 192 HE2 TYR 29 HE2 TYR 29 17.260 9.070 -4.831 193 HH TYR 29 HH TYR 29 17.754 6.638 -7.143 194 H ALA 30 HN ALA 30 15.545 8.368 0.570 195 HA ALA 30 HA ALA 30 17.868 9.712 -0.333 196 HB1 ALA 30 HB1 ALA 30 17.225 11.391 1.435 197 HB2 ALA 30 HB2 ALA 30 15.912 10.301 1.886 198 HB3 ALA 30 HB3 ALA 30 15.961 11.003 0.269 199 H LYS 31 HN LYS 31 17.337 7.456 2.145 200 HA LYS 31 HA LYS 31 19.783 8.210 3.581 201 HB2 LYS 31 HB2 LYS 31 17.609 6.269 4.386 202 HB3 LYS 31 HB1 LYS 31 18.964 6.780 5.382 203 HG2 LYS 31 HG2 LYS 31 18.020 8.772 5.893 204 HG3 LYS 31 HG1 LYS 31 17.213 8.914 4.331 205 HD2 LYS 31 HD2 LYS 31 15.517 7.346 4.995 206 HD3 LYS 31 HD1 LYS 31 16.375 6.991 6.498 207 HE2 LYS 31 HE2 LYS 31 15.122 9.618 5.716 208 HE3 LYS 31 HE1 LYS 31 14.512 8.484 6.918 209 HZ1 LYS 31 HZ1 LYS 31 17.073 9.980 7.071 210 HZ2 LYS 31 HZ2 LYS 31 16.542 8.848 8.209 211 HZ3 LYS 31 HZ3 LYS 31 15.681 10.287 7.984 212 H LYS 32 HN LYS 32 18.296 5.738 1.650 213 HA LYS 32 HA LYS 32 20.663 4.017 1.954 214 HB2 LYS 32 HB2 LYS 32 17.771 3.457 1.575 215 HB3 LYS 32 HB1 LYS 32 18.912 2.362 0.821 216 HG2 LYS 32 HG2 LYS 32 19.247 3.056 3.691 217 HG3 LYS 32 HG1 LYS 32 17.999 1.905 3.218 218 HD2 LYS 32 HD2 LYS 32 19.865 0.726 1.908 219 HD3 LYS 32 HD1 LYS 32 20.973 1.696 2.883 220 HE2 LYS 32 HE2 LYS 32 20.782 -0.294 4.083 221 HE3 LYS 32 HE1 LYS 32 19.658 0.793 4.898 222 HZ1 LYS 32 HZ1 LYS 32 18.907 -1.231 2.860 223 HZ2 LYS 32 HZ2 LYS 32 17.841 -0.213 3.690 224 HZ3 LYS 32 HZ3 LYS 32 18.701 -1.402 4.531 225 H GLY 33 HN GLY 33 18.163 3.960 -0.519 226 HA2 GLY 33 HA2 GLY 33 18.873 5.219 -2.673 227 HA3 GLY 33 HA1 GLY 33 20.249 4.125 -2.581 228 H SER 34 HN SER 34 18.042 2.288 -1.290 229 HA SER 34 HA SER 34 16.400 1.547 -3.515 230 HB2 SER 34 HB2 SER 34 17.351 -0.690 -3.870 231 HB3 SER 34 HB1 SER 34 18.534 0.560 -4.249 232 HG SER 34 HG SER 34 19.589 -0.914 -3.004 233 H PHE 35 HN PHE 35 15.069 -0.414 -2.980 234 HA PHE 35 HA PHE 35 14.668 -0.515 -0.070 235 HB2 PHE 35 HB2 PHE 35 12.768 -0.672 -2.363 236 HB3 PHE 35 HB1 PHE 35 12.397 -1.599 -0.916 237 HD1 PHE 35 HD1 PHE 35 13.866 1.785 -1.459 238 HD2 PHE 35 HD2 PHE 35 10.782 -0.564 0.293 239 HE1 PHE 35 HE1 PHE 35 12.946 3.799 -0.384 240 HE2 PHE 35 HE2 PHE 35 9.858 1.444 1.367 241 HZ PHE 35 HZ PHE 35 10.945 3.623 1.027 242 H LYS 36 HN LYS 36 13.888 -2.784 -2.727 243 HA LYS 36 HA LYS 36 14.430 -4.998 -0.970 244 HB2 LYS 36 HB2 LYS 36 12.667 -5.443 -2.379 245 HB3 LYS 36 HB1 LYS 36 13.450 -4.736 -3.784 246 HG2 LYS 36 HG2 LYS 36 14.922 -6.648 -3.955 247 HG3 LYS 36 HG1 LYS 36 14.248 -7.329 -2.471 248 HD2 LYS 36 HD2 LYS 36 12.251 -7.896 -3.481 249 HD3 LYS 36 HD1 LYS 36 12.421 -6.670 -4.738 250 HE2 LYS 36 HE2 LYS 36 14.204 -7.981 -5.777 251 HE3 LYS 36 HE1 LYS 36 14.037 -9.207 -4.521 252 HZ1 LYS 36 HZ1 LYS 36 12.868 -9.823 -6.552 253 HZ2 LYS 36 HZ2 LYS 36 11.914 -8.431 -6.446 254 HZ3 LYS 36 HZ3 LYS 36 11.788 -9.633 -5.263 255 H LEU 37 HN LEU 37 16.012 -6.544 -1.187 256 HA LEU 37 HA LEU 37 18.356 -5.737 -2.757 257 HB2 LEU 37 HB2 LEU 37 19.440 -7.103 -0.716 258 HB3 LEU 37 HB1 LEU 37 19.239 -5.364 -0.725 259 HG LEU 37 HG LEU 37 17.165 -7.218 0.471 260 HD11 LEU 37 HD11 LEU 37 19.298 -7.638 1.582 261 HD12 LEU 37 HD12 LEU 37 18.184 -6.776 2.644 262 HD13 LEU 37 HD13 LEU 37 19.505 -5.909 1.861 263 HD21 LEU 37 HD21 LEU 37 16.240 -5.086 0.145 264 HD22 LEU 37 HD22 LEU 37 17.742 -4.267 0.587 265 HD23 LEU 37 HD23 LEU 37 16.781 -5.073 1.827 266 H THR 38 HN THR 38 16.343 -8.394 -1.656 267 HA THR 38 HA THR 38 17.724 -10.154 -3.548 268 HB THR 38 HB THR 38 18.790 -10.537 -1.359 269 HG1 THR 38 HG1 THR 38 18.348 -12.828 -1.314 270 HG21 THR 38 HG21 THR 38 16.045 -11.404 -0.447 271 HG22 THR 38 HG22 THR 38 16.799 -9.868 -0.008 272 HG23 THR 38 HG23 THR 38 17.528 -11.394 0.512 273 H SER 39 HN SER 39 16.526 -12.404 -3.466 274 HA SER 39 HA SER 39 13.731 -11.842 -3.931 275 HB2 SER 39 HB2 SER 39 13.626 -14.144 -4.801 276 HB3 SER 39 HB1 SER 39 14.960 -13.252 -5.535 277 HG SER 39 HG SER 39 15.499 -15.407 -4.807 278 H THR 40 HN THR 40 12.117 -12.323 -2.650 279 HA THR 40 HA THR 40 10.859 -13.140 -0.957 280 HB THR 40 HB THR 40 11.238 -15.247 0.010 281 HG1 THR 40 HG1 THR 40 13.200 -15.602 0.724 282 HG21 THR 40 HG21 THR 40 10.785 -15.254 -2.411 283 HG22 THR 40 HG22 THR 40 11.711 -16.664 -1.886 284 HG23 THR 40 HG23 THR 40 12.523 -15.336 -2.713 285 H LYS 41 HN LYS 41 12.160 -10.934 -0.450 286 HA LYS 41 HA LYS 41 12.932 -11.136 2.373 287 HB2 LYS 41 HB2 LYS 41 14.544 -9.347 2.000 288 HB3 LYS 41 HB1 LYS 41 14.873 -10.701 0.934 289 HG2 LYS 41 HG2 LYS 41 14.484 -9.518 -0.887 290 HG3 LYS 41 HG1 LYS 41 13.062 -8.746 -0.188 291 HD2 LYS 41 HD2 LYS 41 15.933 -8.013 0.247 292 HD3 LYS 41 HD1 LYS 41 14.759 -7.113 -0.706 293 HE2 LYS 41 HE2 LYS 41 14.574 -5.929 1.189 294 HE3 LYS 41 HE1 LYS 41 13.455 -7.219 1.613 295 HZ1 LYS 41 HZ1 LYS 41 14.941 -6.858 3.429 296 HZ2 LYS 41 HZ2 LYS 41 16.297 -6.985 2.428 297 HZ3 LYS 41 HZ3 LYS 41 15.337 -8.345 2.726 298 H TRP 42 HN TRP 42 12.328 -9.172 3.628 299 HA TRP 42 HA TRP 42 10.282 -7.586 2.246 300 HB2 TRP 42 HB2 TRP 42 9.905 -9.390 4.529 301 HB3 TRP 42 HB1 TRP 42 9.165 -7.803 4.702 302 HD1 TRP 42 HD1 TRP 42 8.711 -7.905 1.294 303 HE1 TRP 42 HE1 TRP 42 6.563 -9.085 0.545 304 HE3 TRP 42 HE3 TRP 42 7.686 -10.544 5.559 305 HZ2 TRP 42 HZ2 TRP 42 4.686 -10.864 1.594 306 HZ3 TRP 42 HZ3 TRP 42 5.678 -11.969 5.596 307 HH2 TRP 42 HH2 TRP 42 4.209 -12.130 3.651 308 HA PRO 43 HA PRO 43 12.628 -4.363 4.480 309 HB2 PRO 43 HB2 PRO 43 11.684 -2.355 2.855 310 HB3 PRO 43 HB1 PRO 43 13.120 -3.311 2.479 311 HG2 PRO 43 HG2 PRO 43 10.331 -3.581 1.446 312 HG3 PRO 43 HG1 PRO 43 11.871 -3.746 0.583 313 HD2 PRO 43 HD2 PRO 43 10.411 -5.880 1.377 314 HD3 PRO 43 HD1 PRO 43 12.186 -5.913 1.297 315 H GLU 44 HN GLU 44 11.675 -3.511 6.316 316 HA GLU 44 HA GLU 44 8.934 -3.728 6.762 317 HB2 GLU 44 HB2 GLU 44 10.661 -3.671 8.530 318 HB3 GLU 44 HB1 GLU 44 10.787 -1.938 8.279 319 HG2 GLU 44 HG2 GLU 44 8.060 -2.765 8.606 320 HG3 GLU 44 HG1 GLU 44 9.055 -3.253 9.972 321 H LEU 45 HN LEU 45 7.275 -2.370 6.882 322 HA LEU 45 HA LEU 45 7.388 0.009 5.186 323 HB2 LEU 45 HB2 LEU 45 4.966 -0.135 5.214 324 HB3 LEU 45 HB1 LEU 45 5.648 -1.707 4.831 325 HG LEU 45 HG LEU 45 5.203 -1.408 7.660 326 HD11 LEU 45 HD11 LEU 45 3.443 0.012 7.304 327 HD12 LEU 45 HD12 LEU 45 2.704 -1.588 7.456 328 HD13 LEU 45 HD13 LEU 45 2.920 -0.863 5.862 329 HD21 LEU 45 HD21 LEU 45 4.841 -3.385 5.581 330 HD22 LEU 45 HD22 LEU 45 3.653 -3.453 6.879 331 HD23 LEU 45 HD23 LEU 45 5.378 -3.565 7.250 332 HA PRO 46 HA PRO 46 7.052 2.774 8.638 333 HB2 PRO 46 HB2 PRO 46 6.159 4.992 7.396 334 HB3 PRO 46 HB1 PRO 46 7.801 4.377 7.171 335 HG2 PRO 46 HG2 PRO 46 5.426 4.136 5.386 336 HG3 PRO 46 HG1 PRO 46 7.122 4.371 4.960 337 HD2 PRO 46 HD2 PRO 46 5.788 1.958 4.866 338 HD3 PRO 46 HD1 PRO 46 7.546 2.139 4.971 339 H VAL 47 HN VAL 47 4.267 3.730 6.613 340 HA VAL 47 HA VAL 47 2.628 3.953 8.970 341 HB VAL 47 HB VAL 47 2.418 5.519 6.985 342 HG11 VAL 47 HG11 VAL 47 2.492 3.885 5.205 343 HG12 VAL 47 HG12 VAL 47 0.988 4.808 5.142 344 HG13 VAL 47 HG13 VAL 47 0.987 3.168 5.788 345 HG21 VAL 47 HG21 VAL 47 0.035 5.785 7.225 346 HG22 VAL 47 HG22 VAL 47 0.745 5.371 8.784 347 HG23 VAL 47 HG23 VAL 47 -0.118 4.145 7.855 348 H LYS 48 HN LYS 48 1.134 2.587 9.695 349 HA LYS 48 HA LYS 48 0.598 0.160 8.124 350 HB2 LYS 48 HB2 LYS 48 0.510 0.248 11.128 351 HB3 LYS 48 HB1 LYS 48 0.614 -1.159 10.080 352 HG2 LYS 48 HG2 LYS 48 2.802 -1.166 10.403 353 HG3 LYS 48 HG1 LYS 48 2.896 0.364 9.528 354 HD2 LYS 48 HD2 LYS 48 2.447 0.050 12.497 355 HD3 LYS 48 HD1 LYS 48 3.964 0.518 11.728 356 HE2 LYS 48 HE2 LYS 48 2.851 2.508 10.799 357 HE3 LYS 48 HE1 LYS 48 1.365 2.049 11.632 358 HZ1 LYS 48 HZ1 LYS 48 2.509 2.275 13.741 359 HZ2 LYS 48 HZ2 LYS 48 2.611 3.719 12.866 360 HZ3 LYS 48 HZ3 LYS 48 3.949 2.687 12.954 361 H GLU 49 HN GLU 49 -0.659 2.955 9.149 362 HA GLU 49 HA GLU 49 -3.353 2.141 8.727 363 HB2 GLU 49 HB2 GLU 49 -3.166 1.370 11.012 364 HB3 GLU 49 HB1 GLU 49 -2.549 2.934 11.523 365 HG2 GLU 49 HG2 GLU 49 -4.698 3.949 10.859 366 HG3 GLU 49 HG1 GLU 49 -5.308 2.338 10.481 367 H ALA 50 HN ALA 50 -4.629 3.805 8.219 368 HA ALA 50 HA ALA 50 -3.437 6.477 8.118 369 HB1 ALA 50 HB1 ALA 50 -4.239 6.482 6.048 370 HB2 ALA 50 HB2 ALA 50 -5.877 6.369 6.689 371 HB3 ALA 50 HB3 ALA 50 -4.976 4.901 6.306 372 H GLY 51 HN GLY 51 -6.668 5.088 8.511 373 HA2 GLY 51 HA2 GLY 51 -7.339 6.196 10.970 374 HA3 GLY 51 HA1 GLY 51 -7.824 7.361 9.739 375 H GLY 52 HN GLY 52 -8.253 5.246 7.786 376 HA2 GLY 52 HA2 GLY 52 -10.604 3.854 8.851 377 HA3 GLY 52 HA1 GLY 52 -10.734 4.795 7.372 378 H PHE 53 HN PHE 53 -7.766 3.928 7.114 379 HA PHE 53 HA PHE 53 -8.241 1.238 6.003 380 HB2 PHE 53 HB2 PHE 53 -6.866 3.621 4.825 381 HB3 PHE 53 HB1 PHE 53 -6.185 2.041 4.502 382 HD1 PHE 53 HD1 PHE 53 -9.733 3.202 4.651 383 HD2 PHE 53 HD2 PHE 53 -6.611 1.522 2.330 384 HE1 PHE 53 HE1 PHE 53 -11.299 2.886 2.791 385 HE2 PHE 53 HE2 PHE 53 -8.167 1.195 0.460 386 HZ PHE 53 HZ PHE 53 -10.518 1.880 0.689 387 H CYS 54 HN CYS 54 -6.240 -0.086 5.918 388 HA CYS 54 HA CYS 54 -4.235 0.764 7.887 389 HB2 CYS 54 HB2 CYS 54 -4.066 -1.394 8.831 390 HB3 CYS 54 HB1 CYS 54 -5.792 -1.096 8.703 391 H ILE 55 HN ILE 55 -2.127 0.361 7.384 392 HA ILE 55 HA ILE 55 -1.719 -0.415 4.586 393 HB ILE 55 HB ILE 55 -0.117 1.478 6.283 394 HG12 ILE 55 HG12 ILE 55 -1.067 3.112 4.518 395 HG13 ILE 55 HG11 ILE 55 -2.252 1.851 4.211 396 HG21 ILE 55 HG21 ILE 55 1.381 0.562 4.724 397 HG22 ILE 55 HG22 ILE 55 0.866 2.099 4.029 398 HG23 ILE 55 HG23 ILE 55 0.179 0.586 3.432 399 HD11 ILE 55 HD11 ILE 55 -2.873 3.726 5.812 400 HD12 ILE 55 HD12 ILE 55 -1.813 2.914 6.964 401 HD13 ILE 55 HD13 ILE 55 -3.213 2.067 6.301 402 H ARG 56 HN ARG 56 0.097 -1.471 3.938 403 HA ARG 56 HA ARG 56 1.963 -2.615 5.865 404 HB2 ARG 56 HB2 ARG 56 -0.040 -4.222 4.286 405 HB3 ARG 56 HB1 ARG 56 1.523 -4.909 4.704 406 HG2 ARG 56 HG2 ARG 56 -0.404 -3.786 6.721 407 HG3 ARG 56 HG1 ARG 56 -0.335 -5.488 6.259 408 HD2 ARG 56 HD2 ARG 56 1.981 -5.612 7.001 409 HD3 ARG 56 HD1 ARG 56 1.948 -3.900 7.423 410 HE ARG 56 HE ARG 56 -0.092 -5.384 8.761 411 HH11 ARG 56 HH11 ARG 56 3.296 -4.565 8.833 412 HH12 ARG 56 HH12 ARG 56 3.447 -4.798 10.543 413 HH21 ARG 56 HH21 ARG 56 0.101 -5.691 11.013 414 HH22 ARG 56 HH22 ARG 56 1.632 -5.440 11.780 415 H MET 57 HN MET 57 3.731 -3.762 4.733 416 HA MET 57 HA MET 57 4.705 -2.221 2.592 417 HB2 MET 57 HB2 MET 57 6.030 -3.553 4.337 418 HB3 MET 57 HB1 MET 57 5.758 -4.943 3.296 419 HG2 MET 57 HG2 MET 57 6.662 -2.979 1.575 420 HG3 MET 57 HG1 MET 57 7.634 -2.764 3.031 421 HE1 MET 57 HE1 MET 57 6.362 -5.215 0.355 422 HE2 MET 57 HE2 MET 57 6.103 -6.215 1.789 423 HE3 MET 57 HE3 MET 57 7.338 -6.659 0.616 424 H SER 58 HN SER 58 5.264 -2.920 0.444 425 HA SER 58 HA SER 58 3.249 -3.799 -1.120 426 HB2 SER 58 HB2 SER 58 5.156 -2.862 -2.180 427 HB3 SER 58 HB1 SER 58 6.223 -4.116 -1.526 428 HG SER 58 HG SER 58 4.589 -4.158 -3.743 429 H GLY 59 HN GLY 59 3.461 -5.894 -2.593 430 HA2 GLY 59 HA2 GLY 59 2.339 -7.954 -1.213 431 HA3 GLY 59 HA1 GLY 59 3.083 -8.150 -2.773 432 H GLN 60 HN GLN 60 3.873 -10.019 -2.624 433 HA GLN 60 HA GLN 60 5.031 -11.232 -0.384 434 HB2 GLN 60 HB2 GLN 60 4.784 -11.801 -3.269 435 HB3 GLN 60 HB1 GLN 60 5.910 -12.772 -2.329 436 HG2 GLN 60 HG2 GLN 60 4.241 -13.535 -0.932 437 HG3 GLN 60 HG1 GLN 60 3.077 -12.314 -1.502 438 HE21 GLN 60 HE21 GLN 60 2.799 -15.223 -1.396 439 HE22 GLN 60 HE22 GLN 60 2.499 -15.744 -3.015 440 H ALA 61 HN ALA 61 7.024 -11.626 0.213 441 HA ALA 61 HA ALA 61 9.077 -9.813 -0.201 442 HB1 ALA 61 HB1 ALA 61 9.508 -12.711 0.503 443 HB2 ALA 61 HB2 ALA 61 8.849 -11.538 1.645 444 HB3 ALA 61 HB3 ALA 61 10.473 -11.316 0.992 445 H LYS 62 HN LYS 62 8.096 -12.594 -2.042 446 HA LYS 62 HA LYS 62 10.538 -12.768 -3.569 447 HB2 LYS 62 HB2 LYS 62 9.219 -14.746 -3.213 448 HB3 LYS 62 HB1 LYS 62 7.813 -13.985 -3.922 449 HG2 LYS 62 HG2 LYS 62 8.402 -15.048 -5.794 450 HG3 LYS 62 HG1 LYS 62 9.651 -13.811 -5.945 451 HD2 LYS 62 HD2 LYS 62 10.615 -16.030 -6.194 452 HD3 LYS 62 HD1 LYS 62 11.219 -15.253 -4.728 453 HE2 LYS 62 HE2 LYS 62 9.756 -16.553 -3.353 454 HE3 LYS 62 HE1 LYS 62 8.918 -17.202 -4.767 455 HZ1 LYS 62 HZ1 LYS 62 10.980 -18.313 -5.412 456 HZ2 LYS 62 HZ2 LYS 62 10.474 -18.807 -3.875 457 HZ3 LYS 62 HZ3 LYS 62 11.753 -17.712 -4.032 458 H GLY 63 HN GLY 63 7.622 -10.996 -3.699 459 HA2 GLY 63 HA2 GLY 63 8.356 -9.835 -6.306 460 HA3 GLY 63 HA1 GLY 63 6.690 -10.112 -5.825 461 H ILE 64 HN ILE 64 9.592 -8.554 -4.493 462 HA ILE 64 HA ILE 64 7.819 -6.431 -3.535 463 HB ILE 64 HB ILE 64 10.386 -7.504 -2.423 464 HG12 ILE 64 HG12 ILE 64 8.716 -8.719 -1.476 465 HG13 ILE 64 HG11 ILE 64 8.697 -7.347 -0.374 466 HG21 ILE 64 HG21 ILE 64 10.081 -5.769 -0.622 467 HG22 ILE 64 HG22 ILE 64 9.047 -4.901 -1.765 468 HG23 ILE 64 HG23 ILE 64 10.744 -5.198 -2.157 469 HD11 ILE 64 HD11 ILE 64 6.812 -7.953 -2.635 470 HD12 ILE 64 HD12 ILE 64 6.898 -6.362 -1.859 471 HD13 ILE 64 HD13 ILE 64 6.459 -7.781 -0.910 472 H LEU 65 HN LEU 65 8.164 -4.422 -3.703 473 HA LEU 65 HA LEU 65 8.751 -3.192 -5.909 474 HB2 LEU 65 HB2 LEU 65 9.607 -1.291 -4.284 475 HB3 LEU 65 HB1 LEU 65 7.922 -1.745 -4.413 476 HG LEU 65 HG LEU 65 8.413 -3.328 -2.476 477 HD11 LEU 65 HD11 LEU 65 10.288 -2.546 -1.021 478 HD12 LEU 65 HD12 LEU 65 10.827 -1.539 -2.368 479 HD13 LEU 65 HD13 LEU 65 10.813 -3.295 -2.533 480 HD21 LEU 65 HD21 LEU 65 7.728 -1.727 -0.967 481 HD22 LEU 65 HD22 LEU 65 7.300 -0.959 -2.500 482 HD23 LEU 65 HD23 LEU 65 8.781 -0.488 -1.657 483 H GLU 66 HN GLU 66 10.360 -2.125 -6.957 484 HA GLU 66 HA GLU 66 13.091 -2.166 -6.011 485 HB2 GLU 66 HB2 GLU 66 12.127 -4.015 -8.145 486 HB3 GLU 66 HB1 GLU 66 13.693 -3.248 -8.370 487 HG2 GLU 66 HG2 GLU 66 14.674 -4.439 -6.720 488 HG3 GLU 66 HG1 GLU 66 13.210 -4.505 -5.738 489 H GLY 67 HN GLY 67 13.691 -0.144 -6.437 490 HA2 GLY 67 HA2 GLY 67 14.088 1.790 -7.652 491 HA3 GLY 67 HA1 GLY 67 13.458 0.965 -9.080 492 H LYS 68 HN LYS 68 11.323 0.460 -6.708 493 HA LYS 68 HA LYS 68 9.766 2.919 -7.022 494 HB2 LYS 68 HB2 LYS 68 7.997 1.926 -8.080 495 HB3 LYS 68 HB1 LYS 68 9.223 0.783 -8.628 496 HG2 LYS 68 HG2 LYS 68 8.685 -0.715 -6.798 497 HG3 LYS 68 HG1 LYS 68 7.492 0.427 -6.188 498 HD2 LYS 68 HD2 LYS 68 6.104 0.107 -8.102 499 HD3 LYS 68 HD1 LYS 68 7.356 -0.838 -8.918 500 HE2 LYS 68 HE2 LYS 68 7.215 -2.501 -7.080 501 HE3 LYS 68 HE1 LYS 68 5.862 -1.583 -6.405 502 HZ1 LYS 68 HZ1 LYS 68 4.622 -1.978 -8.441 503 HZ2 LYS 68 HZ2 LYS 68 5.094 -3.446 -7.744 504 HZ3 LYS 68 HZ3 LYS 68 5.918 -2.849 -9.095 505 H PHE 69 HN PHE 69 8.724 3.427 -5.096 506 HA PHE 69 HA PHE 69 8.596 1.259 -3.102 507 HB2 PHE 69 HB2 PHE 69 8.621 4.023 -2.053 508 HB3 PHE 69 HB1 PHE 69 9.404 2.569 -1.440 509 HD1 PHE 69 HD2 PHE 69 11.155 1.741 -3.585 510 HD2 PHE 69 HD1 PHE 69 10.205 5.657 -2.237 511 HE1 PHE 69 HE2 PHE 69 13.306 2.554 -4.454 512 HE2 PHE 69 HE1 PHE 69 12.354 6.481 -3.104 513 HZ PHE 69 HZ PHE 69 13.904 4.927 -4.216 514 H THR 70 HN THR 70 6.558 0.679 -2.623 515 HA THR 70 HA THR 70 4.483 2.736 -2.532 516 HB THR 70 HB THR 70 3.967 0.268 -4.175 517 HG1 THR 70 HG1 THR 70 4.580 1.403 -5.989 518 HG21 THR 70 HG21 THR 70 2.289 1.970 -5.204 519 HG22 THR 70 HG22 THR 70 2.614 2.946 -3.776 520 HG23 THR 70 HG23 THR 70 1.930 1.329 -3.601 521 H LEU 71 HN LEU 71 2.793 2.305 -1.230 522 HA LEU 71 HA LEU 71 2.620 -0.366 -0.010 523 HB2 LEU 71 HB2 LEU 71 2.169 2.304 1.310 524 HB3 LEU 71 HB1 LEU 71 1.810 0.759 2.041 525 HG LEU 71 HG LEU 71 4.432 2.054 1.553 526 HD11 LEU 71 HD11 LEU 71 4.801 1.097 3.857 527 HD12 LEU 71 HD12 LEU 71 3.095 0.656 3.842 528 HD13 LEU 71 HD13 LEU 71 3.568 2.350 3.719 529 HD21 LEU 71 HD21 LEU 71 3.919 -0.889 1.553 530 HD22 LEU 71 HD22 LEU 71 5.419 -0.241 2.214 531 HD23 LEU 71 HD23 LEU 71 4.999 0.057 0.529 532 H LYS 72 HN LYS 72 0.522 -1.150 0.355 533 HA LYS 72 HA LYS 72 -1.608 0.525 -0.793 534 HB2 LYS 72 HB2 LYS 72 -1.384 -1.350 -2.238 535 HB3 LYS 72 HB1 LYS 72 -1.271 -2.464 -0.883 536 HG2 LYS 72 HG2 LYS 72 -3.520 -2.476 -0.508 537 HG3 LYS 72 HG1 LYS 72 -3.744 -0.847 -1.139 538 HD2 LYS 72 HD2 LYS 72 -3.133 -3.273 -2.821 539 HD3 LYS 72 HD1 LYS 72 -4.744 -2.608 -2.567 540 HE2 LYS 72 HE2 LYS 72 -3.999 -0.478 -3.553 541 HE3 LYS 72 HE1 LYS 72 -2.413 -1.190 -3.853 542 HZ1 LYS 72 HZ1 LYS 72 -3.442 -2.809 -5.307 543 HZ2 LYS 72 HZ2 LYS 72 -3.815 -1.243 -5.826 544 HZ3 LYS 72 HZ3 LYS 72 -4.974 -2.160 -5.003 545 H ALA 73 HN ALA 73 -3.134 1.110 0.426 546 HA ALA 73 HA ALA 73 -3.357 0.031 3.120 547 HB1 ALA 73 HB1 ALA 73 -3.175 2.505 2.536 548 HB2 ALA 73 HB2 ALA 73 -4.484 2.051 3.640 549 HB3 ALA 73 HB3 ALA 73 -4.829 2.377 1.937 550 H VAL 74 HN VAL 74 -5.318 -0.689 3.954 551 HA VAL 74 HA VAL 74 -7.394 -1.331 1.969 552 HB VAL 74 HB VAL 74 -6.097 -3.113 4.003 553 HG11 VAL 74 HG11 VAL 74 -8.814 -3.500 2.734 554 HG12 VAL 74 HG12 VAL 74 -8.460 -3.354 4.457 555 HG13 VAL 74 HG13 VAL 74 -7.907 -4.768 3.559 556 HG21 VAL 74 HG21 VAL 74 -5.437 -2.872 1.527 557 HG22 VAL 74 HG22 VAL 74 -6.913 -3.792 1.202 558 HG23 VAL 74 HG23 VAL 74 -5.632 -4.494 2.198 559 H ALA 75 HN ALA 75 -9.494 -1.128 2.644 560 HA ALA 75 HA ALA 75 -10.050 0.631 4.727 561 HB1 ALA 75 HB1 ALA 75 -11.685 0.529 3.101 562 HB2 ALA 75 HB2 ALA 75 -12.439 -0.314 4.455 563 HB3 ALA 75 HB3 ALA 75 -11.744 -1.237 3.118 564 H LEU 76 HN LEU 76 -10.709 0.410 6.791 565 HA LEU 76 HA LEU 76 -10.027 -2.011 8.150 566 HB2 LEU 76 HB2 LEU 76 -11.381 0.490 9.173 567 HB3 LEU 76 HB1 LEU 76 -10.669 -0.775 10.166 568 HG LEU 76 HG LEU 76 -9.107 0.852 8.177 569 HD11 LEU 76 HD11 LEU 76 -8.195 2.070 10.118 570 HD12 LEU 76 HD12 LEU 76 -9.416 1.299 11.138 571 HD13 LEU 76 HD13 LEU 76 -9.909 2.387 9.838 572 HD21 LEU 76 HD21 LEU 76 -8.212 -0.891 10.466 573 HD22 LEU 76 HD22 LEU 76 -7.166 -0.014 9.348 574 HD23 LEU 76 HD23 LEU 76 -8.174 -1.344 8.759 575 H ASP 77 HN ASP 77 -12.825 -0.300 7.096 576 HA ASP 77 HA ASP 77 -14.633 -2.426 8.010 577 HB2 ASP 77 HB2 ASP 77 -15.511 0.044 6.526 578 HB3 ASP 77 HB1 ASP 77 -16.435 -0.959 7.637 579 H ARG 78 HN ARG 78 -12.605 -2.654 5.883 580 HA ARG 78 HA ARG 78 -13.503 -2.465 3.312 581 HB2 ARG 78 HB2 ARG 78 -11.749 -3.800 2.716 582 HB3 ARG 78 HB1 ARG 78 -11.242 -3.243 4.291 583 HG2 ARG 78 HG2 ARG 78 -11.032 -5.330 4.998 584 HG3 ARG 78 HG1 ARG 78 -12.720 -5.666 4.592 585 HD2 ARG 78 HD2 ARG 78 -11.856 -5.770 2.161 586 HD3 ARG 78 HD1 ARG 78 -10.271 -5.989 2.906 587 HE ARG 78 HE ARG 78 -11.670 -7.878 4.150 588 HH11 ARG 78 HH11 ARG 78 -11.563 -7.012 0.777 589 HH12 ARG 78 HH12 ARG 78 -11.900 -8.617 0.221 590 HH21 ARG 78 HH21 ARG 78 -12.116 -9.996 3.426 591 HH22 ARG 78 HH22 ARG 78 -12.219 -10.313 1.726 592 H GLU 79 HN GLU 79 -14.510 -4.832 5.688 593 HA GLU 79 HA GLU 79 -15.570 -6.803 4.048 594 HB2 GLU 79 HB2 GLU 79 -17.016 -5.739 6.472 595 HB3 GLU 79 HB1 GLU 79 -17.012 -7.386 5.854 596 HG2 GLU 79 HG2 GLU 79 -14.659 -7.608 6.473 597 HG3 GLU 79 HG1 GLU 79 -14.675 -5.961 7.100 598 H ALA 80 HN ALA 80 -16.512 -3.608 4.685 599 HA ALA 80 HA ALA 80 -18.953 -3.784 3.094 600 HB1 ALA 80 HB1 ALA 80 -19.376 -2.815 5.211 601 HB2 ALA 80 HB2 ALA 80 -19.327 -1.469 4.072 602 HB3 ALA 80 HB3 ALA 80 -17.934 -1.798 5.113 603 H GLU 81 HN GLU 81 -15.720 -2.570 3.140 604 HA GLU 81 HA GLU 81 -16.199 -1.142 0.604 605 HB2 GLU 81 HB2 GLU 81 -14.009 -0.130 2.291 606 HB3 GLU 81 HB1 GLU 81 -15.176 0.743 1.308 607 HG2 GLU 81 HG2 GLU 81 -16.872 0.387 3.057 608 HG3 GLU 81 HG1 GLU 81 -15.650 -0.409 4.046 609 HA PRO 82 HA PRO 82 -12.925 -4.434 -0.037 610 HB2 PRO 82 HB2 PRO 82 -13.556 -4.523 -2.761 611 HB3 PRO 82 HB1 PRO 82 -14.116 -5.666 -1.540 612 HG2 PRO 82 HG2 PRO 82 -15.510 -3.323 -2.735 613 HG3 PRO 82 HG1 PRO 82 -16.177 -4.874 -2.191 614 HD2 PRO 82 HD2 PRO 82 -16.474 -2.607 -0.770 615 HD3 PRO 82 HD1 PRO 82 -16.286 -4.186 0.015 616 H ARG 83 HN ARG 83 -13.669 -1.304 -1.178 617 HA ARG 83 HA ARG 83 -11.741 -0.844 -3.108 618 HB2 ARG 83 HB2 ARG 83 -13.113 0.915 -1.133 619 HB3 ARG 83 HB1 ARG 83 -11.769 1.566 -2.058 620 HG2 ARG 83 HG2 ARG 83 -13.052 0.632 -4.103 621 HG3 ARG 83 HG1 ARG 83 -14.434 0.620 -3.006 622 HD2 ARG 83 HD2 ARG 83 -14.060 3.011 -2.543 623 HD3 ARG 83 HD1 ARG 83 -12.729 3.009 -3.700 624 HE ARG 83 HE ARG 83 -15.210 2.085 -4.811 625 HH11 ARG 83 HH11 ARG 83 -13.286 4.898 -4.078 626 HH12 ARG 83 HH12 ARG 83 -14.038 5.885 -5.285 627 HH21 ARG 83 HH21 ARG 83 -16.203 3.380 -6.402 628 HH22 ARG 83 HH22 ARG 83 -15.696 5.022 -6.606 629 H VAL 84 HN VAL 84 -9.675 -0.507 -3.153 630 HA VAL 84 HA VAL 84 -8.164 -0.353 -0.623 631 HB VAL 84 HB VAL 84 -6.599 -1.547 -2.731 632 HG11 VAL 84 HG11 VAL 84 -6.917 -1.708 0.030 633 HG12 VAL 84 HG12 VAL 84 -5.731 -2.552 -0.966 634 HG13 VAL 84 HG13 VAL 84 -7.273 -3.323 -0.586 635 HG21 VAL 84 HG21 VAL 84 -8.952 -3.228 -1.939 636 HG22 VAL 84 HG22 VAL 84 -7.744 -3.551 -3.184 637 HG23 VAL 84 HG23 VAL 84 -8.947 -2.280 -3.427 638 H LEU 85 HN LEU 85 -6.039 0.752 -0.842 639 HA LEU 85 HA LEU 85 -5.825 2.390 -3.275 640 HB2 LEU 85 HB2 LEU 85 -6.962 3.669 -1.431 641 HB3 LEU 85 HB1 LEU 85 -5.474 3.544 -0.516 642 HG LEU 85 HG LEU 85 -4.381 4.676 -2.574 643 HD11 LEU 85 HD11 LEU 85 -6.059 4.608 -4.211 644 HD12 LEU 85 HD12 LEU 85 -6.036 6.286 -3.653 645 HD13 LEU 85 HD13 LEU 85 -7.301 5.188 -3.086 646 HD21 LEU 85 HD21 LEU 85 -5.175 6.943 -1.697 647 HD22 LEU 85 HD22 LEU 85 -4.380 5.855 -0.561 648 HD23 LEU 85 HD23 LEU 85 -6.137 6.017 -0.542 649 H ARG 86 HN ARG 86 -3.751 3.437 -3.513 650 HA ARG 86 HA ARG 86 -1.539 2.415 -1.942 651 HB2 ARG 86 HB2 ARG 86 -0.811 0.878 -3.399 652 HB3 ARG 86 HB1 ARG 86 -2.240 1.134 -4.362 653 HG2 ARG 86 HG2 ARG 86 -1.114 2.795 -5.684 654 HG3 ARG 86 HG1 ARG 86 0.309 2.689 -4.649 655 HD2 ARG 86 HD2 ARG 86 0.685 0.402 -5.319 656 HD3 ARG 86 HD1 ARG 86 -0.814 0.392 -6.246 657 HE ARG 86 HE ARG 86 0.929 2.447 -7.141 658 HH11 ARG 86 HH11 ARG 86 0.419 -0.998 -7.268 659 HH12 ARG 86 HH12 ARG 86 1.222 -1.190 -8.790 660 HH21 ARG 86 HH21 ARG 86 1.984 2.203 -9.147 661 HH22 ARG 86 HH22 ARG 86 2.109 0.629 -9.858 662 H LEU 87 HN LEU 87 0.324 3.685 -2.137 663 HA LEU 87 HA LEU 87 0.351 5.853 -4.057 664 HB2 LEU 87 HB2 LEU 87 -0.933 6.654 -2.021 665 HB3 LEU 87 HB1 LEU 87 0.551 6.455 -1.119 666 HG LEU 87 HG LEU 87 1.616 8.236 -2.162 667 HD11 LEU 87 HD11 LEU 87 0.304 9.370 -4.147 668 HD12 LEU 87 HD12 LEU 87 -0.342 7.740 -4.346 669 HD13 LEU 87 HD13 LEU 87 1.398 8.017 -4.429 670 HD21 LEU 87 HD21 LEU 87 -1.280 9.061 -2.054 671 HD22 LEU 87 HD22 LEU 87 0.134 10.097 -1.851 672 HD23 LEU 87 HD23 LEU 87 -0.242 8.867 -0.641 673 H ASN 88 HN ASN 88 2.345 6.060 -4.802 674 HA ASN 88 HA ASN 88 4.488 4.727 -3.318 675 HB2 ASN 88 HB2 ASN 88 5.748 4.820 -5.453 676 HB3 ASN 88 HB1 ASN 88 4.215 3.966 -5.591 677 HD21 ASN 88 HD21 ASN 88 3.966 4.266 -7.754 678 HD22 ASN 88 HD22 ASN 88 3.673 5.808 -8.476 679 H GLU 89 HN GLU 89 6.754 5.761 -3.898 680 HA GLU 89 HA GLU 89 6.962 8.138 -2.422 681 HB2 GLU 89 HB2 GLU 89 9.252 8.007 -2.799 682 HB3 GLU 89 HB1 GLU 89 8.734 6.339 -2.959 683 HG2 GLU 89 HG2 GLU 89 9.085 8.155 -5.324 684 HG3 GLU 89 HG1 GLU 89 10.388 7.168 -4.668 685 H SER 90 HN SER 90 6.273 7.567 -5.739 686 HA SER 90 HA SER 90 7.016 10.224 -6.634 687 HB2 SER 90 HB2 SER 90 5.609 7.973 -8.094 688 HB3 SER 90 HB1 SER 90 6.158 9.478 -8.831 689 HG SER 90 HG SER 90 8.303 8.797 -7.936 690 H LEU 91 HN LEU 91 4.775 9.260 -4.711 691 HA LEU 91 HA LEU 91 2.748 9.942 -4.053 692 HB2 LEU 91 HB2 LEU 91 3.728 12.265 -5.620 693 HB3 LEU 91 HB1 LEU 91 2.168 12.306 -4.815 694 HG LEU 91 HG LEU 91 4.562 13.036 -3.711 695 HD11 LEU 91 HD11 LEU 91 2.316 13.694 -2.983 696 HD12 LEU 91 HD12 LEU 91 3.343 13.217 -1.630 697 HD13 LEU 91 HD13 LEU 91 2.114 12.107 -2.237 698 HD21 LEU 91 HD21 LEU 91 5.254 10.660 -3.558 699 HD22 LEU 91 HD22 LEU 91 3.870 10.370 -2.504 700 HD23 LEU 91 HD23 LEU 91 5.152 11.467 -1.992 701 H THR 92 HN THR 92 2.911 8.339 -6.453 702 HA THR 92 HA THR 92 0.521 9.192 -7.930 703 HB THR 92 HB THR 92 2.512 6.995 -8.513 704 HG1 THR 92 HG1 THR 92 3.149 9.242 -8.912 705 HG21 THR 92 HG21 THR 92 1.328 6.705 -10.635 706 HG22 THR 92 HG22 THR 92 0.143 7.916 -10.146 707 HG23 THR 92 HG23 THR 92 0.255 6.387 -9.271 708 H ALA 93 HN ALA 93 -1.348 8.432 -7.127 709 HA ALA 93 HA ALA 93 -1.280 5.907 -5.620 710 HB1 ALA 93 HB1 ALA 93 -3.190 8.222 -5.539 711 HB2 ALA 93 HB2 ALA 93 -2.124 7.645 -4.254 712 HB3 ALA 93 HB3 ALA 93 -3.514 6.678 -4.757 713 H VAL 94 HN VAL 94 -2.850 4.395 -5.807 714 HA VAL 94 HA VAL 94 -4.743 4.585 -8.010 715 HB VAL 94 HB VAL 94 -2.767 3.455 -8.999 716 HG11 VAL 94 HG11 VAL 94 -2.616 2.185 -6.509 717 HG12 VAL 94 HG12 VAL 94 -1.608 1.886 -7.926 718 HG13 VAL 94 HG13 VAL 94 -3.059 0.921 -7.657 719 HG21 VAL 94 HG21 VAL 94 -4.005 1.351 -9.712 720 HG22 VAL 94 HG22 VAL 94 -4.849 2.879 -9.965 721 HG23 VAL 94 HG23 VAL 94 -5.283 1.848 -8.599 722 H VAL 95 HN VAL 95 -6.590 3.840 -7.545 723 HA VAL 95 HA VAL 95 -6.966 2.396 -5.035 724 HB VAL 95 HB VAL 95 -8.141 4.458 -5.084 725 HG11 VAL 95 HG11 VAL 95 -7.963 4.759 -7.532 726 HG12 VAL 95 HG12 VAL 95 -9.583 5.129 -6.912 727 HG13 VAL 95 HG13 VAL 95 -9.289 3.602 -7.746 728 HG21 VAL 95 HG21 VAL 95 -9.406 2.453 -4.266 729 HG22 VAL 95 HG22 VAL 95 -10.182 2.376 -5.848 730 HG23 VAL 95 HG23 VAL 95 -10.422 3.786 -4.818 731 H CYS 96 HN CYS 96 -8.339 0.639 -4.917 732 HA CYS 96 HA CYS 96 -9.060 -0.638 -7.457 733 HB2 CYS 96 HB2 CYS 96 -7.856 -1.809 -4.960 734 HB3 CYS 96 HB1 CYS 96 -8.791 -2.806 -6.066 735 H GLY 97 HN GLY 97 -10.917 -1.997 -7.375 736 HA2 GLY 97 HA2 GLY 97 -12.827 -1.059 -5.347 737 HA3 GLY 97 HA1 GLY 97 -13.260 -1.560 -6.978 738 H LYS 98 HN LYS 98 -10.916 -3.560 -6.032 739 HA LYS 98 HA LYS 98 -12.516 -5.408 -4.470 740 HB2 LYS 98 HB2 LYS 98 -12.699 -5.657 -7.162 741 HB3 LYS 98 HB1 LYS 98 -11.280 -6.626 -6.863 742 HG2 LYS 98 HG2 LYS 98 -14.006 -6.992 -5.660 743 HG3 LYS 98 HG1 LYS 98 -13.217 -8.029 -6.854 744 HD2 LYS 98 HD2 LYS 98 -11.985 -9.091 -5.279 745 HD3 LYS 98 HD1 LYS 98 -11.712 -7.613 -4.356 746 HE2 LYS 98 HE2 LYS 98 -13.034 -9.170 -3.065 747 HE3 LYS 98 HE1 LYS 98 -13.977 -7.734 -3.479 748 HZ1 LYS 98 HZ1 LYS 98 -14.112 -10.329 -4.920 749 HZ2 LYS 98 HZ2 LYS 98 -15.060 -8.962 -5.227 750 HZ3 LYS 98 HZ3 LYS 98 -15.234 -9.800 -3.769 751 H MET 99 HN MET 99 -11.245 -6.306 -3.004 752 HA MET 99 HA MET 99 -8.383 -6.578 -3.613 753 HB2 MET 99 HB2 MET 99 -9.294 -4.935 -1.719 754 HB3 MET 99 HB1 MET 99 -9.298 -6.418 -0.788 755 HG2 MET 99 HG2 MET 99 -6.849 -6.394 -2.095 756 HG3 MET 99 HG1 MET 99 -7.095 -4.740 -1.533 757 HE1 MET 99 HE1 MET 99 -6.627 -8.502 -0.456 758 HE2 MET 99 HE2 MET 99 -8.335 -8.060 -0.374 759 HE3 MET 99 HE3 MET 99 -7.443 -8.431 1.109 760 H LYS 100 HN LYS 100 -8.073 -8.628 -4.072 761 HA LYS 100 HA LYS 100 -9.660 -10.671 -2.705 762 HB2 LYS 100 HB2 LYS 100 -7.766 -11.039 -5.020 763 HB3 LYS 100 HB1 LYS 100 -8.997 -12.163 -4.458 764 HG2 LYS 100 HG2 LYS 100 -10.740 -10.855 -5.290 765 HG3 LYS 100 HG1 LYS 100 -9.715 -9.427 -5.441 766 HD2 LYS 100 HD2 LYS 100 -8.458 -10.514 -7.231 767 HD3 LYS 100 HD1 LYS 100 -9.466 -11.954 -7.071 768 HE2 LYS 100 HE2 LYS 100 -10.522 -9.211 -7.756 769 HE3 LYS 100 HE1 LYS 100 -10.127 -10.448 -8.951 770 HZ1 LYS 100 HZ1 LYS 100 -12.480 -10.454 -8.442 771 HZ2 LYS 100 HZ2 LYS 100 -12.160 -10.694 -6.799 772 HZ3 LYS 100 HZ3 LYS 100 -11.773 -11.900 -7.919 773 H GLY 101 HN GLY 101 -6.271 -10.448 -3.794 774 HA2 GLY 101 HA2 GLY 101 -5.465 -12.365 -1.779 775 HA3 GLY 101 HA1 GLY 101 -4.438 -11.642 -3.006 776 H LYS 102 HN LYS 102 -3.019 -10.208 -2.383 777 HA LYS 102 HA LYS 102 -1.660 -9.197 -0.817 778 HB2 LYS 102 HB2 LYS 102 -3.166 -7.057 -0.020 779 HB3 LYS 102 HB1 LYS 102 -2.255 -7.164 -1.522 780 HG2 LYS 102 HG2 LYS 102 -4.693 -8.382 -2.054 781 HG3 LYS 102 HG1 LYS 102 -5.077 -6.956 -1.096 782 HD2 LYS 102 HD2 LYS 102 -4.587 -5.583 -2.782 783 HD3 LYS 102 HD1 LYS 102 -3.066 -6.420 -3.115 784 HE2 LYS 102 HE2 LYS 102 -4.574 -6.537 -5.026 785 HE3 LYS 102 HE1 LYS 102 -4.276 -8.137 -4.348 786 HZ1 LYS 102 HZ1 LYS 102 -6.602 -7.871 -4.843 787 HZ2 LYS 102 HZ2 LYS 102 -6.691 -6.467 -3.906 788 HZ3 LYS 102 HZ3 LYS 102 -6.400 -7.959 -3.167 789 H GLY 103 HN GLY 103 -4.441 -7.983 0.843 790 HA2 GLY 103 HA2 GLY 103 -4.724 -9.815 2.919 791 HA3 GLY 103 HA1 GLY 103 -3.475 -8.670 3.398 792 H SER 104 HN SER 104 -6.222 -9.091 4.471 793 HA SER 104 HA SER 104 -7.258 -6.391 3.937 794 HB2 SER 104 HB2 SER 104 -8.896 -8.725 4.868 795 HB3 SER 104 HB1 SER 104 -9.476 -7.165 4.317 796 HG SER 104 HG SER 104 -9.243 -9.240 2.848 797 H CYS 105 HN CYS 105 -7.813 -5.089 5.592 798 HA CYS 105 HA CYS 105 -6.614 -5.448 8.106 799 HB2 CYS 105 HB2 CYS 105 -8.967 -3.635 7.572 800 HB3 CYS 105 HB1 CYS 105 -7.685 -3.424 8.750 801 H THR 106 HN THR 106 -8.261 -4.991 10.115 802 HA THR 106 HA THR 106 -9.503 -6.175 11.623 803 HB THR 106 HB THR 106 -11.258 -4.849 10.697 804 HG1 THR 106 HG1 THR 106 -12.496 -7.357 10.571 805 HG21 THR 106 HG21 THR 106 -10.911 -5.291 8.314 806 HG22 THR 106 HG22 THR 106 -12.602 -5.531 8.762 807 HG23 THR 106 HG23 THR 106 -11.549 -6.924 8.518 808 H ASP 107 HN ASP 107 -7.811 -7.784 9.815 809 HA ASP 107 HA ASP 107 -8.906 -10.369 10.513 810 HB2 ASP 107 HB2 ASP 107 -8.420 -9.571 7.639 811 HB3 ASP 107 HB1 ASP 107 -8.516 -11.248 8.166 812 H GLY 108 HN GLY 108 -6.324 -8.470 9.034 813 HA2 GLY 108 HA2 GLY 108 -4.166 -8.947 10.361 814 HA3 GLY 108 HA1 GLY 108 -4.392 -10.577 9.746 815 H GLU 109 HN GLU 109 -4.372 -7.239 8.464 816 HA GLU 109 HA GLU 109 -3.626 -7.879 5.873 817 HB2 GLU 109 HB2 GLU 109 -4.012 -5.554 7.421 818 HB3 GLU 109 HB1 GLU 109 -2.476 -5.376 6.585 819 HG2 GLU 109 HG2 GLU 109 -4.930 -6.253 5.134 820 HG3 GLU 109 HG1 GLU 109 -4.627 -4.546 5.451 821 H GLU 110 HN GLU 110 -1.820 -8.709 5.057 822 HA GLU 110 HA GLU 110 0.644 -8.570 6.577 823 HB2 GLU 110 HB2 GLU 110 -0.656 -10.557 5.067 824 HB3 GLU 110 HB1 GLU 110 0.879 -10.206 4.287 825 HG2 GLU 110 HG2 GLU 110 2.043 -10.582 6.344 826 HG3 GLU 110 HG1 GLU 110 0.506 -10.842 7.176 827 H ILE 111 HN ILE 111 -0.170 -8.625 3.124 828 HA ILE 111 HA ILE 111 1.539 -6.333 2.649 829 HB ILE 111 HB ILE 111 2.774 -7.591 0.850 830 HG12 ILE 111 HG12 ILE 111 2.977 -10.125 1.575 831 HG13 ILE 111 HG11 ILE 111 1.355 -9.861 2.206 832 HG21 ILE 111 HG21 ILE 111 4.487 -8.256 2.339 833 HG22 ILE 111 HG22 ILE 111 3.329 -8.583 3.638 834 HG23 ILE 111 HG23 ILE 111 3.640 -6.916 3.123 835 HD11 ILE 111 HD11 ILE 111 0.795 -10.591 0.161 836 HD12 ILE 111 HD12 ILE 111 2.314 -10.075 -0.575 837 HD13 ILE 111 HD13 ILE 111 1.034 -8.897 -0.263 838 H PHE 112 HN PHE 112 1.718 -5.995 0.167 839 HA PHE 112 HA PHE 112 -0.996 -6.208 -0.936 840 HB2 PHE 112 HB2 PHE 112 -0.626 -3.944 -0.799 841 HB3 PHE 112 HB1 PHE 112 1.110 -4.101 -1.004 842 HD1 PHE 112 HD2 PHE 112 -1.860 -4.984 -3.114 843 HD2 PHE 112 HD1 PHE 112 1.857 -2.931 -2.810 844 HE1 PHE 112 HE2 PHE 112 -2.062 -4.274 -5.461 845 HE2 PHE 112 HE1 PHE 112 1.662 -2.216 -5.159 846 HZ PHE 112 HZ PHE 112 -0.302 -2.889 -6.485 847 H ARG 113 HN ARG 113 -0.553 -8.354 -1.794 848 HA ARG 113 HA ARG 113 1.414 -8.389 -3.952 849 HB2 ARG 113 HB2 ARG 113 1.044 -10.869 -3.929 850 HB3 ARG 113 HB1 ARG 113 1.713 -10.211 -2.450 851 HG2 ARG 113 HG2 ARG 113 -0.340 -10.431 -1.314 852 HG3 ARG 113 HG1 ARG 113 -1.211 -10.770 -2.814 853 HD2 ARG 113 HD2 ARG 113 0.906 -12.505 -1.566 854 HD3 ARG 113 HD1 ARG 113 -0.831 -12.795 -1.497 855 HE ARG 113 HE ARG 113 0.246 -12.579 -4.164 856 HH11 ARG 113 HH11 ARG 113 -0.489 -14.715 -1.510 857 HH12 ARG 113 HH12 ARG 113 -0.570 -16.129 -2.504 858 HH21 ARG 113 HH21 ARG 113 0.139 -14.436 -5.479 859 HH22 ARG 113 HH22 ARG 113 -0.213 -15.972 -4.760 860 H GLY 114 HN GLY 114 0.847 -8.183 -5.950 861 HA2 GLY 114 HA2 GLY 114 -1.397 -7.326 -7.046 862 HA3 GLY 114 HA1 GLY 114 -0.344 -8.417 -7.919 863 H ASN 115 HN ASN 115 -3.372 -7.981 -6.386 864 HA ASN 115 HA ASN 115 -4.490 -10.244 -7.726 865 HB2 ASN 115 HB2 ASN 115 -4.091 -10.313 -4.770 866 HB3 ASN 115 HB1 ASN 115 -5.490 -11.098 -5.488 867 HD21 ASN 115 HD21 ASN 115 -2.104 -11.226 -4.955 868 HD22 ASN 115 HD22 ASN 115 -1.824 -12.768 -5.681 869 H ASP 116 HN ASP 116 -4.812 -7.281 -7.408 870 HA ASP 116 HA ASP 116 -7.474 -7.103 -6.222 871 HB2 ASP 116 HB2 ASP 116 -7.072 -4.598 -6.946 872 HB3 ASP 116 HB1 ASP 116 -6.351 -5.243 -5.479 873 H ALA 117 HN ALA 117 -9.142 -5.911 -7.312 874 HA ALA 117 HA ALA 117 -9.046 -6.026 -10.247 875 HB1 ALA 117 HB1 ALA 117 -11.193 -7.058 -10.376 876 HB2 ALA 117 HB2 ALA 117 -11.414 -6.960 -8.624 877 HB3 ALA 117 HB3 ALA 117 -10.200 -8.052 -9.307 878 H GLU 118 HN GLU 118 -10.849 -4.819 -11.241 879 HA GLU 118 HA GLU 118 -11.876 -2.808 -11.560 880 HB2 GLU 118 HB2 GLU 118 -12.694 -3.474 -8.726 881 HB3 GLU 118 HB1 GLU 118 -13.427 -2.184 -9.681 882 HG2 GLU 118 HG2 GLU 118 -13.451 -5.124 -10.323 883 HG3 GLU 118 HG1 GLU 118 -14.804 -4.172 -9.714 884 H CYS 119 HN CYS 119 -9.384 -2.095 -11.367 885 HA CYS 119 HA CYS 119 -9.292 -0.047 -9.234 886 HB2 CYS 119 HB2 CYS 119 -6.813 -1.104 -10.548 887 HB3 CYS 119 HB1 CYS 119 -6.985 -0.292 -9.003 888 H ARG 120 HN ARG 120 -8.521 1.941 -9.644 889 HA ARG 120 HA ARG 120 -7.811 2.727 -12.357 890 HB2 ARG 120 HB2 ARG 120 -9.452 4.350 -12.494 891 HB3 ARG 120 HB1 ARG 120 -10.309 3.019 -11.738 892 HG2 ARG 120 HG2 ARG 120 -10.902 4.397 -10.130 893 HG3 ARG 120 HG1 ARG 120 -9.210 4.472 -9.644 894 HD2 ARG 120 HD2 ARG 120 -9.821 6.708 -9.967 895 HD3 ARG 120 HD1 ARG 120 -8.945 6.253 -11.430 896 HE ARG 120 HE ARG 120 -11.754 5.860 -11.709 897 HH11 ARG 120 HH11 ARG 120 -9.252 8.285 -11.781 898 HH12 ARG 120 HH12 ARG 120 -10.129 9.342 -12.836 899 HH21 ARG 120 HH21 ARG 120 -12.914 7.244 -13.096 900 HH22 ARG 120 HH22 ARG 120 -12.211 8.749 -13.586 901 HA PRO 121 HA PRO 121 -4.840 5.254 -10.272 902 HB2 PRO 121 HB2 PRO 121 -4.637 7.432 -11.811 903 HB3 PRO 121 HB1 PRO 121 -4.108 5.840 -12.378 904 HG2 PRO 121 HG2 PRO 121 -6.712 7.233 -12.886 905 HG3 PRO 121 HG1 PRO 121 -5.617 6.470 -14.055 906 HD2 PRO 121 HD2 PRO 121 -7.780 5.181 -13.126 907 HD3 PRO 121 HD1 PRO 121 -6.256 4.326 -13.436 908 H PHE 122 HN PHE 122 -5.042 6.357 -8.426 909 HA PHE 122 HA PHE 122 -7.234 8.301 -8.187 910 HB2 PHE 122 HB2 PHE 122 -6.603 6.092 -6.600 911 HB3 PHE 122 HB1 PHE 122 -6.038 7.471 -5.677 912 HD1 PHE 122 HD2 PHE 122 -8.973 7.571 -7.934 913 HD2 PHE 122 HD1 PHE 122 -7.576 7.358 -3.925 914 HE1 PHE 122 HE2 PHE 122 -11.251 8.021 -7.119 915 HE2 PHE 122 HE1 PHE 122 -9.843 7.796 -3.099 916 HZ PHE 122 HZ PHE 122 -11.691 8.137 -4.698 917 H THR 123 HN THR 123 -6.880 10.314 -7.340 918 HA THR 123 HA THR 123 -4.085 11.018 -6.745 919 HB THR 123 HB THR 123 -4.462 13.221 -7.804 920 HG1 THR 123 HG1 THR 123 -6.733 12.208 -9.115 921 HG21 THR 123 HG21 THR 123 -4.994 10.922 -9.678 922 HG22 THR 123 HG22 THR 123 -3.412 11.357 -9.033 923 HG23 THR 123 HG23 THR 123 -4.272 12.477 -10.088 924 H GLY 124 HN GLY 124 -4.087 11.337 -4.627 925 HA2 GLY 124 HA2 GLY 124 -6.257 12.200 -3.069 926 HA3 GLY 124 HA1 GLY 124 -4.573 12.200 -2.570 Start of MODEL 19 1 H1 HIS 6 HT1 HIS 6 -21.263 6.686 -1.156 2 H2 HIS 6 HT2 HIS 6 -21.739 7.511 -2.553 3 H3 HIS 6 HT3 HIS 6 -20.170 6.891 -2.431 4 HA HIS 6 HA HIS 6 -22.651 5.275 -2.488 5 HB2 HIS 6 HB2 HIS 6 -22.162 6.356 -4.652 6 HB3 HIS 6 HB1 HIS 6 -20.537 5.679 -4.620 7 HD1 HIS 6 HD1 HIS 6 -20.255 3.448 -5.685 8 HD2 HIS 6 HD2 HIS 6 -24.231 4.275 -4.806 9 HE1 HIS 6 HE1 HIS 6 -21.573 1.561 -6.697 10 HE2 HIS 6 HE2 HIS 6 -23.971 2.046 -6.093 11 H ARG 7 HN ARG 7 -19.191 4.967 -3.299 12 HA ARG 7 HA ARG 7 -19.022 2.700 -1.454 13 HB2 ARG 7 HB2 ARG 7 -19.313 1.529 -3.450 14 HB3 ARG 7 HB1 ARG 7 -18.389 2.694 -4.386 15 HG2 ARG 7 HG2 ARG 7 -17.173 0.620 -4.185 16 HG3 ARG 7 HG1 ARG 7 -16.332 1.898 -3.311 17 HD2 ARG 7 HD2 ARG 7 -16.341 -0.167 -2.022 18 HD3 ARG 7 HD1 ARG 7 -17.273 1.084 -1.207 19 HE ARG 7 HE ARG 7 -19.068 -0.301 -1.322 20 HH11 ARG 7 HH11 ARG 7 -16.913 -1.119 -3.939 21 HH12 ARG 7 HH12 ARG 7 -17.885 -2.439 -4.495 22 HH21 ARG 7 HH21 ARG 7 -20.352 -2.035 -2.053 23 HH22 ARG 7 HH22 ARG 7 -19.840 -2.957 -3.427 24 H SER 8 HN SER 8 -17.627 5.463 -2.889 25 HA SER 8 HA SER 8 -14.929 5.189 -2.669 26 HB2 SER 8 HB2 SER 8 -16.570 7.578 -1.785 27 HB3 SER 8 HB1 SER 8 -14.827 7.606 -2.058 28 HG SER 8 HG SER 8 -15.562 6.677 -4.239 29 H ALA 9 HN ALA 9 -14.172 3.872 -1.106 30 HA ALA 9 HA ALA 9 -14.921 3.930 1.606 31 HB1 ALA 9 HB1 ALA 9 -12.371 2.889 0.379 32 HB2 ALA 9 HB2 ALA 9 -13.889 1.992 0.500 33 HB3 ALA 9 HB3 ALA 9 -13.020 2.466 1.964 34 H ASN 10 HN ASN 10 -12.690 4.019 3.126 35 HA ASN 10 HA ASN 10 -12.208 6.849 3.296 36 HB2 ASN 10 HB2 ASN 10 -11.307 4.512 4.984 37 HB3 ASN 10 HB1 ASN 10 -10.838 6.177 5.319 38 HD21 ASN 10 HD21 ASN 10 -12.370 7.631 6.059 39 HD22 ASN 10 HD22 ASN 10 -13.901 7.123 6.677 40 H LEU 11 HN LEU 11 -11.147 5.870 0.907 41 HA LEU 11 HA LEU 11 -8.429 5.177 1.006 42 HB2 LEU 11 HB2 LEU 11 -9.702 6.907 -1.100 43 HB3 LEU 11 HB1 LEU 11 -8.304 5.878 -1.263 44 HG LEU 11 HG LEU 11 -10.902 4.637 -0.572 45 HD11 LEU 11 HD11 LEU 11 -10.086 5.436 -3.350 46 HD12 LEU 11 HD12 LEU 11 -11.355 6.221 -2.396 47 HD13 LEU 11 HD13 LEU 11 -11.538 4.534 -2.894 48 HD21 LEU 11 HD21 LEU 11 -8.714 3.724 -2.420 49 HD22 LEU 11 HD22 LEU 11 -10.018 2.757 -1.727 50 HD23 LEU 11 HD23 LEU 11 -8.731 3.376 -0.692 51 H ARG 12 HN ARG 12 -10.072 8.082 1.583 52 HA ARG 12 HA ARG 12 -8.017 9.932 0.994 53 HB2 ARG 12 HB2 ARG 12 -9.830 10.743 3.140 54 HB3 ARG 12 HB1 ARG 12 -9.550 11.485 1.573 55 HG2 ARG 12 HG2 ARG 12 -11.377 9.157 2.147 56 HG3 ARG 12 HG1 ARG 12 -11.867 10.814 1.798 57 HD2 ARG 12 HD2 ARG 12 -10.346 9.018 -0.101 58 HD3 ARG 12 HD1 ARG 12 -12.090 9.283 -0.148 59 HE ARG 12 HE ARG 12 -10.637 11.737 -0.261 60 HH11 ARG 12 HH11 ARG 12 -11.676 9.010 -2.164 61 HH12 ARG 12 HH12 ARG 12 -11.678 9.889 -3.656 62 HH21 ARG 12 HH21 ARG 12 -10.639 12.902 -2.222 63 HH22 ARG 12 HH22 ARG 12 -11.088 12.100 -3.690 64 H ALA 13 HN ALA 13 -8.758 7.904 3.677 65 HA ALA 13 HA ALA 13 -6.951 9.150 5.535 66 HB1 ALA 13 HB1 ALA 13 -7.402 7.236 6.941 67 HB2 ALA 13 HB2 ALA 13 -8.166 6.395 5.594 68 HB3 ALA 13 HB3 ALA 13 -8.912 7.846 6.270 69 H ALA 14 HN ALA 14 -6.933 6.509 3.288 70 HA ALA 14 HA ALA 14 -4.362 5.496 4.021 71 HB1 ALA 14 HB1 ALA 14 -6.207 4.173 2.967 72 HB2 ALA 14 HB2 ALA 14 -4.649 4.020 2.155 73 HB3 ALA 14 HB3 ALA 14 -5.905 5.051 1.465 74 H HIS 15 HN HIS 15 -5.660 7.572 1.523 75 HA HIS 15 HA HIS 15 -3.551 7.836 -0.178 76 HB2 HIS 15 HB2 HIS 15 -5.909 9.366 0.548 77 HB3 HIS 15 HB1 HIS 15 -4.571 10.428 0.152 78 HD1 HIS 15 HD1 HIS 15 -3.281 9.333 -2.196 79 HD2 HIS 15 HD2 HIS 15 -7.383 8.939 -1.663 80 HE1 HIS 15 HE1 HIS 15 -4.224 8.955 -4.486 81 HE2 HIS 15 HE2 HIS 15 -6.708 8.996 -4.160 82 H ALA 16 HN ALA 16 -4.053 9.162 3.019 83 HA ALA 16 HA ALA 16 -1.645 10.770 2.927 84 HB1 ALA 16 HB1 ALA 16 -3.461 11.715 4.162 85 HB2 ALA 16 HB2 ALA 16 -2.203 11.259 5.315 86 HB3 ALA 16 HB3 ALA 16 -3.638 10.249 5.128 87 H ALA 17 HN ALA 17 -2.713 7.653 4.121 88 HA ALA 17 HA ALA 17 -0.494 7.185 5.821 89 HB1 ALA 17 HB1 ALA 17 -2.306 5.214 4.462 90 HB2 ALA 17 HB2 ALA 17 -2.530 5.912 6.066 91 HB3 ALA 17 HB3 ALA 17 -1.157 4.843 5.756 92 H LEU 18 HN LEU 18 -1.262 5.788 2.619 93 HA LEU 18 HA LEU 18 1.277 4.708 2.138 94 HB2 LEU 18 HB2 LEU 18 -0.725 5.757 0.123 95 HB3 LEU 18 HB1 LEU 18 0.632 4.716 -0.252 96 HG LEU 18 HG LEU 18 -0.886 3.083 -0.169 97 HD11 LEU 18 HD11 LEU 18 -0.776 3.561 2.790 98 HD12 LEU 18 HD12 LEU 18 0.409 2.654 1.846 99 HD13 LEU 18 HD13 LEU 18 -1.251 2.066 1.982 100 HD21 LEU 18 HD21 LEU 18 -2.607 4.924 -0.078 101 HD22 LEU 18 HD22 LEU 18 -2.679 4.623 1.664 102 HD23 LEU 18 HD23 LEU 18 -3.099 3.339 0.528 103 H LEU 19 HN LEU 19 0.021 7.910 1.898 104 HA LEU 19 HA LEU 19 2.179 9.017 0.374 105 HB2 LEU 19 HB2 LEU 19 0.198 10.287 0.369 106 HB3 LEU 19 HB1 LEU 19 -0.030 10.118 2.092 107 HG LEU 19 HG LEU 19 0.638 12.416 1.115 108 HD11 LEU 19 HD11 LEU 19 0.485 11.858 3.497 109 HD12 LEU 19 HD12 LEU 19 1.809 12.974 3.156 110 HD13 LEU 19 HD13 LEU 19 2.145 11.267 3.450 111 HD21 LEU 19 HD21 LEU 19 3.415 11.402 1.479 112 HD22 LEU 19 HD22 LEU 19 2.852 12.843 0.631 113 HD23 LEU 19 HD23 LEU 19 2.623 11.246 -0.086 114 H GLU 20 HN GLU 20 1.292 8.754 3.754 115 HA GLU 20 HA GLU 20 3.503 9.977 4.940 116 HB2 GLU 20 HB2 GLU 20 1.434 9.397 6.152 117 HB3 GLU 20 HB1 GLU 20 1.819 7.696 5.969 118 HG2 GLU 20 HG2 GLU 20 2.435 8.245 8.155 119 HG3 GLU 20 HG1 GLU 20 3.940 8.155 7.243 120 H ASN 21 HN ASN 21 2.965 6.852 3.563 121 HA ASN 21 HA ASN 21 5.438 5.697 4.497 122 HB2 ASN 21 HB2 ASN 21 3.172 4.507 3.726 123 HB3 ASN 21 HB1 ASN 21 3.914 4.614 2.138 124 HD21 ASN 21 HD21 ASN 21 3.630 2.865 4.938 125 HD22 ASN 21 HD22 ASN 21 4.932 1.760 4.697 126 H ALA 22 HN ALA 22 4.103 7.321 1.744 127 HA ALA 22 HA ALA 22 6.190 6.980 -0.093 128 HB1 ALA 22 HB1 ALA 22 5.212 8.755 -1.353 129 HB2 ALA 22 HB2 ALA 22 4.377 9.372 0.072 130 HB3 ALA 22 HB3 ALA 22 3.903 7.822 -0.626 131 H ARG 23 HN ARG 23 5.750 9.420 2.409 132 HA ARG 23 HA ARG 23 8.031 10.931 1.554 133 HB2 ARG 23 HB2 ARG 23 7.769 12.050 3.783 134 HB3 ARG 23 HB1 ARG 23 6.319 12.085 2.789 135 HG2 ARG 23 HG2 ARG 23 5.371 10.256 4.092 136 HG3 ARG 23 HG1 ARG 23 6.841 10.181 5.066 137 HD2 ARG 23 HD2 ARG 23 4.999 11.420 6.159 138 HD3 ARG 23 HD1 ARG 23 6.450 12.393 5.921 139 HE ARG 23 HE ARG 23 4.576 12.677 3.781 140 HH11 ARG 23 HH11 ARG 23 5.344 13.740 7.010 141 HH12 ARG 23 HH12 ARG 23 4.529 15.259 6.841 142 HH21 ARG 23 HH21 ARG 23 3.505 14.673 3.549 143 HH22 ARG 23 HH22 ARG 23 3.485 15.790 4.873 144 H PHE 24 HN PHE 24 7.346 8.506 4.010 145 HA PHE 24 HA PHE 24 9.917 8.481 5.176 146 HB2 PHE 24 HB2 PHE 24 7.455 6.934 5.364 147 HB3 PHE 24 HB1 PHE 24 8.883 5.924 5.528 148 HD1 PHE 24 HD2 PHE 24 10.674 6.752 7.217 149 HD2 PHE 24 HD1 PHE 24 6.623 8.052 7.185 150 HE1 PHE 24 HE2 PHE 24 10.886 7.452 9.567 151 HE2 PHE 24 HE1 PHE 24 6.827 8.759 9.534 152 HZ PHE 24 HZ PHE 24 8.959 8.457 10.729 153 H MET 25 HN MET 25 8.567 6.971 2.321 154 HA MET 25 HA MET 25 10.879 5.247 2.011 155 HB2 MET 25 HB2 MET 25 8.431 5.685 0.266 156 HB3 MET 25 HB1 MET 25 9.791 4.658 -0.198 157 HG2 MET 25 HG2 MET 25 8.133 4.280 2.286 158 HG3 MET 25 HG1 MET 25 7.958 3.362 0.808 159 HE1 MET 25 HE1 MET 25 11.337 3.427 3.783 160 HE2 MET 25 HE2 MET 25 9.840 2.701 4.382 161 HE3 MET 25 HE3 MET 25 9.830 4.348 3.747 162 H GLU 26 HN GLU 26 9.503 8.169 0.629 163 HA GLU 26 HA GLU 26 11.439 8.694 -1.310 164 HB2 GLU 26 HB2 GLU 26 9.539 10.317 0.320 165 HB3 GLU 26 HB1 GLU 26 10.843 11.184 -0.458 166 HG2 GLU 26 HG2 GLU 26 8.814 9.450 -1.820 167 HG3 GLU 26 HG1 GLU 26 8.834 11.208 -1.807 168 H GLN 27 HN GLN 27 11.397 8.853 2.123 169 HA GLN 27 HA GLN 27 13.868 10.324 2.377 170 HB2 GLN 27 HB2 GLN 27 11.873 9.199 4.265 171 HB3 GLN 27 HB1 GLN 27 13.467 9.608 4.858 172 HG2 GLN 27 HG2 GLN 27 11.541 11.451 3.495 173 HG3 GLN 27 HG1 GLN 27 11.927 11.430 5.212 174 HE21 GLN 27 HE21 GLN 27 13.932 12.209 5.901 175 HE22 GLN 27 HE22 GLN 27 14.918 13.210 4.897 176 H PHE 28 HN PHE 28 12.714 7.014 3.019 177 HA PHE 28 HA PHE 28 15.073 5.986 4.062 178 HB2 PHE 28 HB2 PHE 28 13.037 4.680 4.113 179 HB3 PHE 28 HB1 PHE 28 12.990 4.612 2.362 180 HD1 PHE 28 HD2 PHE 28 15.274 3.776 5.191 181 HD2 PHE 28 HD1 PHE 28 13.746 2.771 1.373 182 HE1 PHE 28 HE2 PHE 28 16.593 1.699 5.230 183 HE2 PHE 28 HE1 PHE 28 15.053 0.689 1.389 184 HZ PHE 28 HZ PHE 28 16.483 0.152 3.319 185 H TYR 29 HN TYR 29 13.989 6.437 0.768 186 HA TYR 29 HA TYR 29 16.275 5.253 -0.466 187 HB2 TYR 29 HB2 TYR 29 14.131 5.446 -1.644 188 HB3 TYR 29 HB1 TYR 29 14.193 7.195 -1.519 189 HD1 TYR 29 HD2 TYR 29 15.884 8.462 -2.840 190 HD2 TYR 29 HD1 TYR 29 15.284 4.284 -3.378 191 HE1 TYR 29 HE2 TYR 29 17.055 8.577 -4.999 192 HE2 TYR 29 HE1 TYR 29 16.456 4.388 -5.537 193 HH TYR 29 HH TYR 29 17.015 6.021 -7.255 194 H ALA 30 HN ALA 30 15.322 8.395 0.694 195 HA ALA 30 HA ALA 30 17.495 9.855 -0.468 196 HB1 ALA 30 HB1 ALA 30 15.548 10.485 1.748 197 HB2 ALA 30 HB2 ALA 30 15.515 11.064 0.084 198 HB3 ALA 30 HB3 ALA 30 16.776 11.619 1.185 199 H LYS 31 HN LYS 31 17.173 7.724 2.129 200 HA LYS 31 HA LYS 31 19.563 8.737 3.500 201 HB2 LYS 31 HB2 LYS 31 17.559 6.658 4.407 202 HB3 LYS 31 HB1 LYS 31 18.892 7.289 5.360 203 HG2 LYS 31 HG2 LYS 31 17.812 9.217 5.849 204 HG3 LYS 31 HG1 LYS 31 16.955 9.257 4.307 205 HD2 LYS 31 HD2 LYS 31 15.396 7.592 5.052 206 HD3 LYS 31 HD1 LYS 31 16.332 7.308 6.524 207 HE2 LYS 31 HE2 LYS 31 14.984 9.906 5.805 208 HE3 LYS 31 HE1 LYS 31 14.312 8.691 6.891 209 HZ1 LYS 31 HZ1 LYS 31 16.866 10.151 7.307 210 HZ2 LYS 31 HZ2 LYS 31 16.206 9.000 8.355 211 HZ3 LYS 31 HZ3 LYS 31 15.409 10.471 8.106 212 H LYS 32 HN LYS 32 18.285 6.157 1.608 213 HA LYS 32 HA LYS 32 20.772 4.620 1.926 214 HB2 LYS 32 HB2 LYS 32 17.921 3.820 1.684 215 HB3 LYS 32 HB1 LYS 32 19.118 2.782 0.935 216 HG2 LYS 32 HG2 LYS 32 19.528 3.651 3.745 217 HG3 LYS 32 HG1 LYS 32 18.340 2.396 3.402 218 HD2 LYS 32 HD2 LYS 32 20.035 1.048 2.311 219 HD3 LYS 32 HD1 LYS 32 21.233 2.324 2.551 220 HE2 LYS 32 HE2 LYS 32 19.808 0.788 4.721 221 HE3 LYS 32 HE1 LYS 32 21.481 0.553 4.213 222 HZ1 LYS 32 HZ1 LYS 32 20.353 3.015 5.437 223 HZ2 LYS 32 HZ2 LYS 32 21.948 2.841 4.900 224 HZ3 LYS 32 HZ3 LYS 32 21.385 1.906 6.192 225 H GLY 33 HN GLY 33 18.125 4.667 -0.446 226 HA2 GLY 33 HA2 GLY 33 18.614 5.733 -2.652 227 HA3 GLY 33 HA1 GLY 33 20.162 4.901 -2.576 228 H SER 34 HN SER 34 17.846 2.972 -1.210 229 HA SER 34 HA SER 34 16.773 1.809 -3.623 230 HB2 SER 34 HB2 SER 34 18.743 0.251 -1.929 231 HB3 SER 34 HB1 SER 34 17.757 -0.429 -3.223 232 HG SER 34 HG SER 34 19.562 0.055 -4.273 233 H PHE 35 HN PHE 35 15.573 -0.322 -2.972 234 HA PHE 35 HA PHE 35 14.343 0.086 -0.328 235 HB2 PHE 35 HB2 PHE 35 12.981 -0.677 -2.920 236 HB3 PHE 35 HB1 PHE 35 12.192 -0.658 -1.346 237 HD1 PHE 35 HD2 PHE 35 12.351 1.604 -0.044 238 HD2 PHE 35 HD1 PHE 35 12.888 1.203 -4.245 239 HE1 PHE 35 HE2 PHE 35 11.816 3.988 -0.336 240 HE2 PHE 35 HE1 PHE 35 12.348 3.586 -4.545 241 HZ PHE 35 HZ PHE 35 11.864 4.993 -2.582 242 H LYS 36 HN LYS 36 14.555 -2.344 -2.946 243 HA LYS 36 HA LYS 36 14.734 -4.412 -0.867 244 HB2 LYS 36 HB2 LYS 36 13.003 -5.075 -2.208 245 HB3 LYS 36 HB1 LYS 36 13.704 -4.388 -3.664 246 HG2 LYS 36 HG2 LYS 36 15.361 -6.252 -3.649 247 HG3 LYS 36 HG1 LYS 36 14.467 -6.957 -2.295 248 HD2 LYS 36 HD2 LYS 36 12.566 -7.351 -3.606 249 HD3 LYS 36 HD1 LYS 36 13.086 -6.226 -4.860 250 HE2 LYS 36 HE2 LYS 36 15.060 -7.855 -5.186 251 HE3 LYS 36 HE1 LYS 36 14.065 -9.000 -4.284 252 HZ1 LYS 36 HZ1 LYS 36 13.228 -7.609 -6.771 253 HZ2 LYS 36 HZ2 LYS 36 12.330 -8.764 -5.924 254 HZ3 LYS 36 HZ3 LYS 36 13.772 -9.208 -6.687 255 H LEU 37 HN LEU 37 16.338 -6.064 -1.073 256 HA LEU 37 HA LEU 37 18.692 -5.194 -2.598 257 HB2 LEU 37 HB2 LEU 37 19.774 -6.539 -0.541 258 HB3 LEU 37 HB1 LEU 37 19.533 -4.806 -0.556 259 HG LEU 37 HG LEU 37 17.480 -6.703 0.602 260 HD11 LEU 37 HD11 LEU 37 19.810 -5.381 1.998 261 HD12 LEU 37 HD12 LEU 37 19.557 -7.112 1.775 262 HD13 LEU 37 HD13 LEU 37 18.464 -6.186 2.803 263 HD21 LEU 37 HD21 LEU 37 16.533 -4.574 0.251 264 HD22 LEU 37 HD22 LEU 37 18.004 -3.739 0.759 265 HD23 LEU 37 HD23 LEU 37 17.011 -4.579 1.950 266 H THR 38 HN THR 38 16.734 -7.921 -1.582 267 HA THR 38 HA THR 38 18.223 -9.614 -3.446 268 HB THR 38 HB THR 38 19.289 -9.968 -1.257 269 HG1 THR 38 HG1 THR 38 17.799 -12.308 -1.558 270 HG21 THR 38 HG21 THR 38 16.575 -10.930 -0.347 271 HG22 THR 38 HG22 THR 38 17.263 -9.360 0.082 272 HG23 THR 38 HG23 THR 38 18.054 -10.850 0.615 273 H SER 39 HN SER 39 17.130 -11.903 -3.416 274 HA SER 39 HA SER 39 14.313 -11.464 -3.875 275 HB2 SER 39 HB2 SER 39 14.314 -13.756 -4.781 276 HB3 SER 39 HB1 SER 39 15.601 -12.788 -5.504 277 HG SER 39 HG SER 39 16.553 -14.675 -4.939 278 H THR 40 HN THR 40 12.727 -12.050 -2.611 279 HA THR 40 HA THR 40 11.512 -12.956 -0.932 280 HB THR 40 HB THR 40 12.035 -15.020 0.079 281 HG1 THR 40 HG1 THR 40 14.251 -15.893 -0.233 282 HG21 THR 40 HG21 THR 40 12.592 -16.441 -1.796 283 HG22 THR 40 HG22 THR 40 13.301 -15.075 -2.656 284 HG23 THR 40 HG23 THR 40 11.565 -15.112 -2.339 285 H LYS 41 HN LYS 41 12.670 -10.661 -0.434 286 HA LYS 41 HA LYS 41 13.445 -10.823 2.390 287 HB2 LYS 41 HB2 LYS 41 14.946 -8.956 2.040 288 HB3 LYS 41 HB1 LYS 41 15.344 -10.252 0.929 289 HG2 LYS 41 HG2 LYS 41 14.855 -9.045 -0.854 290 HG3 LYS 41 HG1 LYS 41 13.412 -8.360 -0.112 291 HD2 LYS 41 HD2 LYS 41 16.258 -7.497 0.251 292 HD3 LYS 41 HD1 LYS 41 14.991 -6.617 -0.592 293 HE2 LYS 41 HE2 LYS 41 14.865 -5.535 1.371 294 HE3 LYS 41 HE1 LYS 41 13.817 -6.891 1.776 295 HZ1 LYS 41 HZ1 LYS 41 15.887 -7.992 2.663 296 HZ2 LYS 41 HZ2 LYS 41 15.317 -6.673 3.554 297 HZ3 LYS 41 HZ3 LYS 41 16.651 -6.489 2.531 298 H TRP 42 HN TRP 42 12.721 -8.925 3.657 299 HA TRP 42 HA TRP 42 10.561 -7.472 2.303 300 HB2 TRP 42 HB2 TRP 42 10.356 -9.276 4.607 301 HB3 TRP 42 HB1 TRP 42 9.526 -7.735 4.788 302 HD1 TRP 42 HD1 TRP 42 9.023 -7.964 1.363 303 HE1 TRP 42 HE1 TRP 42 6.910 -9.252 0.710 304 HE3 TRP 42 HE3 TRP 42 8.183 -10.466 5.752 305 HZ2 TRP 42 HZ2 TRP 42 5.122 -11.056 1.867 306 HZ3 TRP 42 HZ3 TRP 42 6.232 -11.964 5.886 307 HH2 TRP 42 HH2 TRP 42 4.732 -12.257 3.980 308 HA PRO 43 HA PRO 43 12.838 -4.133 4.441 309 HB2 PRO 43 HB2 PRO 43 11.682 -2.186 2.854 310 HB3 PRO 43 HB1 PRO 43 13.187 -3.016 2.451 311 HG2 PRO 43 HG2 PRO 43 10.420 -3.511 1.455 312 HG3 PRO 43 HG1 PRO 43 11.960 -3.575 0.578 313 HD2 PRO 43 HD2 PRO 43 10.668 -5.803 1.399 314 HD3 PRO 43 HD1 PRO 43 12.441 -5.703 1.318 315 H GLU 44 HN GLU 44 11.923 -3.351 6.319 316 HA GLU 44 HA GLU 44 9.184 -3.689 6.823 317 HB2 GLU 44 HB2 GLU 44 10.872 -3.743 8.593 318 HB3 GLU 44 HB1 GLU 44 11.104 -2.014 8.391 319 HG2 GLU 44 HG2 GLU 44 8.331 -2.590 8.693 320 HG3 GLU 44 HG1 GLU 44 9.251 -3.304 10.014 321 H LEU 45 HN LEU 45 7.496 -2.418 6.869 322 HA LEU 45 HA LEU 45 7.650 0.115 5.445 323 HB2 LEU 45 HB2 LEU 45 5.268 -0.096 5.241 324 HB3 LEU 45 HB1 LEU 45 6.022 -1.618 4.800 325 HG LEU 45 HG LEU 45 5.210 -1.434 7.604 326 HD11 LEU 45 HD11 LEU 45 3.198 -1.256 5.429 327 HD12 LEU 45 HD12 LEU 45 3.402 -0.215 6.840 328 HD13 LEU 45 HD13 LEU 45 2.833 -1.873 7.042 329 HD21 LEU 45 HD21 LEU 45 5.979 -3.510 6.921 330 HD22 LEU 45 HD22 LEU 45 5.037 -3.457 5.431 331 HD23 LEU 45 HD23 LEU 45 4.221 -3.680 6.975 332 HA PRO 46 HA PRO 46 7.006 2.546 9.115 333 HB2 PRO 46 HB2 PRO 46 6.134 4.842 7.983 334 HB3 PRO 46 HB1 PRO 46 7.819 4.312 7.902 335 HG2 PRO 46 HG2 PRO 46 5.671 4.128 5.839 336 HG3 PRO 46 HG1 PRO 46 7.392 4.494 5.640 337 HD2 PRO 46 HD2 PRO 46 6.270 2.037 5.144 338 HD3 PRO 46 HD1 PRO 46 7.973 2.288 5.563 339 H VAL 47 HN VAL 47 4.362 3.505 6.880 340 HA VAL 47 HA VAL 47 2.506 3.506 9.101 341 HB VAL 47 HB VAL 47 2.422 5.194 7.167 342 HG11 VAL 47 HG11 VAL 47 2.560 3.659 5.311 343 HG12 VAL 47 HG12 VAL 47 1.040 4.549 5.255 344 HG13 VAL 47 HG13 VAL 47 1.061 2.881 5.821 345 HG21 VAL 47 HG21 VAL 47 0.023 5.416 7.319 346 HG22 VAL 47 HG22 VAL 47 0.697 4.980 8.889 347 HG23 VAL 47 HG23 VAL 47 -0.113 3.759 7.907 348 H LYS 48 HN LYS 48 1.063 1.989 9.612 349 HA LYS 48 HA LYS 48 0.738 -0.282 7.772 350 HB2 LYS 48 HB2 LYS 48 0.574 -0.541 10.762 351 HB3 LYS 48 HB1 LYS 48 0.776 -1.814 9.567 352 HG2 LYS 48 HG2 LYS 48 2.952 -1.745 9.959 353 HG3 LYS 48 HG1 LYS 48 2.983 -0.131 9.242 354 HD2 LYS 48 HD2 LYS 48 2.509 -0.779 12.153 355 HD3 LYS 48 HD1 LYS 48 3.991 -0.113 11.463 356 HE2 LYS 48 HE2 LYS 48 2.693 1.855 10.700 357 HE3 LYS 48 HE1 LYS 48 1.275 1.202 11.523 358 HZ1 LYS 48 HZ1 LYS 48 2.452 2.873 12.851 359 HZ2 LYS 48 HZ2 LYS 48 3.838 1.902 12.857 360 HZ3 LYS 48 HZ3 LYS 48 2.427 1.364 13.618 361 H GLU 49 HN GLU 49 -0.763 2.290 9.038 362 HA GLU 49 HA GLU 49 -3.381 1.285 8.459 363 HB2 GLU 49 HB2 GLU 49 -2.997 0.387 10.741 364 HB3 GLU 49 HB1 GLU 49 -2.823 2.035 11.317 365 HG2 GLU 49 HG2 GLU 49 -5.096 2.540 10.665 366 HG3 GLU 49 HG1 GLU 49 -5.287 0.913 10.012 367 H ALA 50 HN ALA 50 -4.497 2.914 7.721 368 HA ALA 50 HA ALA 50 -3.718 5.675 8.179 369 HB1 ALA 50 HB1 ALA 50 -5.750 5.938 6.490 370 HB2 ALA 50 HB2 ALA 50 -5.371 4.246 6.156 371 HB3 ALA 50 HB3 ALA 50 -4.141 5.489 5.935 372 H GLY 51 HN GLY 51 -6.073 7.005 7.939 373 HA2 GLY 51 HA2 GLY 51 -7.168 6.751 10.549 374 HA3 GLY 51 HA1 GLY 51 -7.740 7.837 9.292 375 H GLY 52 HN GLY 52 -7.930 5.216 7.598 376 HA2 GLY 52 HA2 GLY 52 -10.217 3.919 8.832 377 HA3 GLY 52 HA1 GLY 52 -10.568 4.840 7.383 378 H PHE 53 HN PHE 53 -7.523 3.828 7.017 379 HA PHE 53 HA PHE 53 -8.250 1.253 5.787 380 HB2 PHE 53 HB2 PHE 53 -6.760 3.565 4.639 381 HB3 PHE 53 HB1 PHE 53 -6.140 1.965 4.281 382 HD1 PHE 53 HD1 PHE 53 -9.616 3.328 4.505 383 HD2 PHE 53 HD2 PHE 53 -6.667 1.392 2.143 384 HE1 PHE 53 HE1 PHE 53 -11.242 3.090 2.687 385 HE2 PHE 53 HE2 PHE 53 -8.290 1.142 0.317 386 HZ PHE 53 HZ PHE 53 -10.583 1.994 0.586 387 H CYS 54 HN CYS 54 -6.272 -0.166 5.508 388 HA CYS 54 HA CYS 54 -4.324 0.355 7.637 389 HB2 CYS 54 HB2 CYS 54 -6.153 -1.796 7.435 390 HB3 CYS 54 HB1 CYS 54 -4.535 -2.438 7.225 391 H ILE 55 HN ILE 55 -2.220 -0.075 7.165 392 HA ILE 55 HA ILE 55 -1.714 -0.695 4.340 393 HB ILE 55 HB ILE 55 -0.148 1.114 6.164 394 HG12 ILE 55 HG12 ILE 55 -1.048 2.824 4.425 395 HG13 ILE 55 HG11 ILE 55 -2.257 1.591 4.091 396 HG21 ILE 55 HG21 ILE 55 0.198 0.375 3.271 397 HG22 ILE 55 HG22 ILE 55 1.369 0.238 4.586 398 HG23 ILE 55 HG23 ILE 55 0.907 1.830 3.979 399 HD11 ILE 55 HD11 ILE 55 -3.102 1.705 6.295 400 HD12 ILE 55 HD12 ILE 55 -2.957 3.354 5.692 401 HD13 ILE 55 HD13 ILE 55 -1.760 2.721 6.822 402 H ARG 56 HN ARG 56 0.126 -1.727 3.726 403 HA ARG 56 HA ARG 56 1.981 -2.858 5.641 404 HB2 ARG 56 HB2 ARG 56 -0.098 -4.507 4.244 405 HB3 ARG 56 HB1 ARG 56 1.503 -5.190 4.488 406 HG2 ARG 56 HG2 ARG 56 -0.346 -4.174 6.631 407 HG3 ARG 56 HG1 ARG 56 -0.007 -5.861 6.248 408 HD2 ARG 56 HD2 ARG 56 2.389 -5.425 6.788 409 HD3 ARG 56 HD1 ARG 56 1.923 -3.814 7.328 410 HE ARG 56 HE ARG 56 0.309 -5.527 8.729 411 HH11 ARG 56 HH11 ARG 56 3.749 -5.103 8.349 412 HH12 ARG 56 HH12 ARG 56 4.124 -5.688 9.936 413 HH21 ARG 56 HH21 ARG 56 0.796 -6.299 10.815 414 HH22 ARG 56 HH22 ARG 56 2.446 -6.370 11.337 415 H MET 57 HN MET 57 3.861 -3.700 4.626 416 HA MET 57 HA MET 57 4.650 -2.366 2.305 417 HB2 MET 57 HB2 MET 57 6.108 -3.436 4.131 418 HB3 MET 57 HB1 MET 57 5.925 -4.929 3.219 419 HG2 MET 57 HG2 MET 57 6.658 -3.082 1.310 420 HG3 MET 57 HG1 MET 57 7.621 -2.641 2.721 421 HE1 MET 57 HE1 MET 57 6.456 -5.452 0.419 422 HE2 MET 57 HE2 MET 57 6.434 -6.396 1.913 423 HE3 MET 57 HE3 MET 57 7.628 -6.743 0.666 424 H SER 58 HN SER 58 5.222 -3.212 0.212 425 HA SER 58 HA SER 58 3.254 -4.364 -1.222 426 HB2 SER 58 HB2 SER 58 5.074 -3.368 -2.381 427 HB3 SER 58 HB1 SER 58 6.231 -4.514 -1.688 428 HG SER 58 HG SER 58 5.819 -5.269 -3.698 429 H GLY 59 HN GLY 59 3.422 -6.475 -2.500 430 HA2 GLY 59 HA2 GLY 59 2.558 -8.553 -1.029 431 HA3 GLY 59 HA1 GLY 59 3.251 -8.740 -2.617 432 H GLN 60 HN GLN 60 4.111 -10.681 -2.328 433 HA GLN 60 HA GLN 60 5.441 -11.605 -0.063 434 HB2 GLN 60 HB2 GLN 60 6.471 -13.225 -1.903 435 HB3 GLN 60 HB1 GLN 60 4.811 -13.358 -1.354 436 HG2 GLN 60 HG2 GLN 60 4.059 -12.057 -3.256 437 HG3 GLN 60 HG1 GLN 60 5.726 -11.894 -3.805 438 HE21 GLN 60 HE21 GLN 60 3.017 -14.038 -3.444 439 HE22 GLN 60 HE22 GLN 60 3.614 -15.299 -4.462 440 H ALA 61 HN ALA 61 7.573 -11.813 0.483 441 HA ALA 61 HA ALA 61 9.378 -9.824 -0.036 442 HB1 ALA 61 HB1 ALA 61 10.999 -11.141 1.046 443 HB2 ALA 61 HB2 ALA 61 10.232 -12.645 0.537 444 HB3 ALA 61 HB3 ALA 61 9.453 -11.624 1.747 445 H LYS 62 HN LYS 62 8.746 -12.661 -1.976 446 HA LYS 62 HA LYS 62 11.135 -12.423 -3.552 447 HB2 LYS 62 HB2 LYS 62 10.125 -14.586 -3.285 448 HB3 LYS 62 HB1 LYS 62 8.604 -14.000 -3.922 449 HG2 LYS 62 HG2 LYS 62 9.304 -14.899 -5.848 450 HG3 LYS 62 HG1 LYS 62 10.300 -13.449 -5.978 451 HD2 LYS 62 HD2 LYS 62 11.690 -15.369 -6.365 452 HD3 LYS 62 HD1 LYS 62 12.124 -14.663 -4.806 453 HE2 LYS 62 HE2 LYS 62 10.785 -16.345 -3.658 454 HE3 LYS 62 HE1 LYS 62 10.312 -17.042 -5.209 455 HZ1 LYS 62 HZ1 LYS 62 12.631 -17.580 -5.630 456 HZ2 LYS 62 HZ2 LYS 62 12.110 -18.289 -4.186 457 HZ3 LYS 62 HZ3 LYS 62 13.083 -16.907 -4.146 458 H GLY 63 HN GLY 63 7.865 -11.259 -3.712 459 HA2 GLY 63 HA2 GLY 63 8.399 -9.963 -6.298 460 HA3 GLY 63 HA1 GLY 63 6.800 -10.324 -5.670 461 H ILE 64 HN ILE 64 9.697 -8.684 -4.468 462 HA ILE 64 HA ILE 64 7.936 -6.547 -3.524 463 HB ILE 64 HB ILE 64 10.546 -7.550 -2.436 464 HG12 ILE 64 HG12 ILE 64 8.942 -8.871 -1.506 465 HG13 ILE 64 HG11 ILE 64 8.891 -7.530 -0.369 466 HG21 ILE 64 HG21 ILE 64 9.052 -5.046 -1.708 467 HG22 ILE 64 HG22 ILE 64 10.742 -5.204 -2.198 468 HG23 ILE 64 HG23 ILE 64 10.211 -5.840 -0.637 469 HD11 ILE 64 HD11 ILE 64 6.953 -8.256 -2.529 470 HD12 ILE 64 HD12 ILE 64 7.039 -6.602 -1.901 471 HD13 ILE 64 HD13 ILE 64 6.666 -7.937 -0.811 472 H LEU 65 HN LEU 65 8.321 -4.524 -3.719 473 HA LEU 65 HA LEU 65 9.044 -3.339 -5.957 474 HB2 LEU 65 HB2 LEU 65 9.728 -1.405 -4.290 475 HB3 LEU 65 HB1 LEU 65 8.065 -1.887 -4.536 476 HG LEU 65 HG LEU 65 8.536 -3.485 -2.555 477 HD11 LEU 65 HD11 LEU 65 10.894 -3.212 -2.379 478 HD12 LEU 65 HD12 LEU 65 10.165 -2.482 -0.945 479 HD13 LEU 65 HD13 LEU 65 10.734 -1.459 -2.267 480 HD21 LEU 65 HD21 LEU 65 8.351 -0.534 -2.014 481 HD22 LEU 65 HD22 LEU 65 7.736 -1.852 -1.013 482 HD23 LEU 65 HD23 LEU 65 7.006 -1.522 -2.584 483 H GLU 66 HN GLU 66 10.842 -1.808 -6.496 484 HA GLU 66 HA GLU 66 13.422 -2.281 -5.317 485 HB2 GLU 66 HB2 GLU 66 12.603 -3.843 -7.642 486 HB3 GLU 66 HB1 GLU 66 14.078 -2.926 -7.928 487 HG2 GLU 66 HG2 GLU 66 13.760 -4.572 -5.453 488 HG3 GLU 66 HG1 GLU 66 14.248 -5.316 -6.978 489 H GLY 67 HN GLY 67 14.253 -0.310 -5.295 490 HA2 GLY 67 HA2 GLY 67 14.857 1.808 -5.982 491 HA3 GLY 67 HA1 GLY 67 14.594 1.260 -7.638 492 H LYS 68 HN LYS 68 11.925 0.506 -5.964 493 HA LYS 68 HA LYS 68 10.535 3.057 -6.273 494 HB2 LYS 68 HB2 LYS 68 8.904 2.152 -7.703 495 HB3 LYS 68 HB1 LYS 68 10.398 1.457 -8.319 496 HG2 LYS 68 HG2 LYS 68 9.470 -0.525 -8.140 497 HG3 LYS 68 HG1 LYS 68 9.536 -0.334 -6.395 498 HD2 LYS 68 HD2 LYS 68 7.319 0.749 -6.449 499 HD3 LYS 68 HD1 LYS 68 7.247 0.461 -8.190 500 HE2 LYS 68 HE2 LYS 68 7.730 -1.784 -6.277 501 HE3 LYS 68 HE1 LYS 68 6.092 -1.212 -6.596 502 HZ1 LYS 68 HZ1 LYS 68 8.016 -2.221 -8.625 503 HZ2 LYS 68 HZ2 LYS 68 6.457 -1.652 -8.955 504 HZ3 LYS 68 HZ3 LYS 68 6.668 -3.056 -8.037 505 H PHE 69 HN PHE 69 8.795 3.265 -4.783 506 HA PHE 69 HA PHE 69 8.386 0.917 -3.048 507 HB2 PHE 69 HB2 PHE 69 8.921 2.203 -1.273 508 HB3 PHE 69 HB1 PHE 69 9.049 3.638 -2.293 509 HD1 PHE 69 HD2 PHE 69 6.654 1.551 -0.372 510 HD2 PHE 69 HD1 PHE 69 7.379 5.246 -2.318 511 HE1 PHE 69 HE2 PHE 69 4.564 2.461 0.542 512 HE2 PHE 69 HE1 PHE 69 5.285 6.138 -1.419 513 HZ PHE 69 HZ PHE 69 3.874 4.743 0.021 514 H THR 70 HN THR 70 6.307 0.276 -2.654 515 HA THR 70 HA THR 70 4.150 2.138 -3.103 516 HB THR 70 HB THR 70 3.731 -0.459 -4.497 517 HG1 THR 70 HG1 THR 70 4.441 1.050 -6.417 518 HG21 THR 70 HG21 THR 70 2.327 1.110 -5.922 519 HG22 THR 70 HG22 THR 70 2.740 2.399 -4.792 520 HG23 THR 70 HG23 THR 70 1.822 0.997 -4.235 521 H LEU 71 HN LEU 71 2.971 1.963 -1.343 522 HA LEU 71 HA LEU 71 2.622 -0.708 -0.161 523 HB2 LEU 71 HB2 LEU 71 2.531 2.037 1.045 524 HB3 LEU 71 HB1 LEU 71 1.844 0.650 1.861 525 HG LEU 71 HG LEU 71 4.540 1.573 1.827 526 HD11 LEU 71 HD11 LEU 71 3.338 0.921 3.797 527 HD12 LEU 71 HD12 LEU 71 4.762 -0.106 3.609 528 HD13 LEU 71 HD13 LEU 71 3.165 -0.728 3.191 529 HD21 LEU 71 HD21 LEU 71 4.190 -1.242 0.810 530 HD22 LEU 71 HD22 LEU 71 5.689 -0.588 1.472 531 HD23 LEU 71 HD23 LEU 71 5.008 0.092 -0.007 532 H LYS 72 HN LYS 72 0.583 -1.486 0.234 533 HA LYS 72 HA LYS 72 -1.582 0.155 -0.883 534 HB2 LYS 72 HB2 LYS 72 -1.339 -1.864 -2.164 535 HB3 LYS 72 HB1 LYS 72 -1.349 -2.849 -0.703 536 HG2 LYS 72 HG2 LYS 72 -3.633 -2.426 -0.308 537 HG3 LYS 72 HG1 LYS 72 -3.669 -1.106 -1.476 538 HD2 LYS 72 HD2 LYS 72 -3.101 -3.965 -2.242 539 HD3 LYS 72 HD1 LYS 72 -4.725 -3.277 -2.229 540 HE2 LYS 72 HE2 LYS 72 -2.399 -2.214 -3.828 541 HE3 LYS 72 HE1 LYS 72 -3.686 -3.237 -4.467 542 HZ1 LYS 72 HZ1 LYS 72 -5.284 -1.521 -3.936 543 HZ2 LYS 72 HZ2 LYS 72 -4.068 -0.888 -4.928 544 HZ3 LYS 72 HZ3 LYS 72 -4.071 -0.545 -3.271 545 H ALA 73 HN ALA 73 -3.313 0.574 0.204 546 HA ALA 73 HA ALA 73 -3.404 -0.250 3.015 547 HB1 ALA 73 HB1 ALA 73 -4.802 2.080 1.728 548 HB2 ALA 73 HB2 ALA 73 -3.146 2.177 2.323 549 HB3 ALA 73 HB3 ALA 73 -4.473 1.826 3.446 550 H VAL 74 HN VAL 74 -5.470 -0.773 3.917 551 HA VAL 74 HA VAL 74 -7.589 -1.376 1.989 552 HB VAL 74 HB VAL 74 -6.283 -3.270 3.904 553 HG11 VAL 74 HG11 VAL 74 -9.090 -3.427 2.807 554 HG12 VAL 74 HG12 VAL 74 -8.585 -3.499 4.495 555 HG13 VAL 74 HG13 VAL 74 -8.207 -4.831 3.403 556 HG21 VAL 74 HG21 VAL 74 -5.620 -3.045 1.494 557 HG22 VAL 74 HG22 VAL 74 -7.220 -3.671 1.073 558 HG23 VAL 74 HG23 VAL 74 -6.097 -4.667 2.002 559 H ALA 75 HN ALA 75 -9.553 -0.847 2.641 560 HA ALA 75 HA ALA 75 -10.062 0.780 4.785 561 HB1 ALA 75 HB1 ALA 75 -12.466 0.124 4.467 562 HB2 ALA 75 HB2 ALA 75 -11.905 -1.057 3.278 563 HB3 ALA 75 HB3 ALA 75 -11.624 0.670 3.017 564 H LEU 76 HN LEU 76 -10.423 0.548 6.867 565 HA LEU 76 HA LEU 76 -10.040 -1.943 8.164 566 HB2 LEU 76 HB2 LEU 76 -11.167 0.620 9.293 567 HB3 LEU 76 HB1 LEU 76 -10.424 -0.690 10.200 568 HG LEU 76 HG LEU 76 -8.946 0.912 8.125 569 HD11 LEU 76 HD11 LEU 76 -7.884 2.082 10.030 570 HD12 LEU 76 HD12 LEU 76 -9.095 1.366 11.096 571 HD13 LEU 76 HD13 LEU 76 -9.590 2.475 9.815 572 HD21 LEU 76 HD21 LEU 76 -6.969 -0.017 9.173 573 HD22 LEU 76 HD22 LEU 76 -8.049 -1.313 8.659 574 HD23 LEU 76 HD23 LEU 76 -7.966 -0.856 10.361 575 H ASP 77 HN ASP 77 -12.693 0.009 7.134 576 HA ASP 77 HA ASP 77 -14.676 -1.886 8.169 577 HB2 ASP 77 HB2 ASP 77 -15.363 0.588 6.602 578 HB3 ASP 77 HB1 ASP 77 -16.324 -0.260 7.805 579 H ARG 78 HN ARG 78 -12.743 -2.394 5.981 580 HA ARG 78 HA ARG 78 -13.745 -2.218 3.448 581 HB2 ARG 78 HB2 ARG 78 -12.332 -4.043 2.874 582 HB3 ARG 78 HB1 ARG 78 -11.517 -2.967 3.986 583 HG2 ARG 78 HG2 ARG 78 -11.433 -4.519 5.640 584 HG3 ARG 78 HG1 ARG 78 -12.942 -5.297 5.123 585 HD2 ARG 78 HD2 ARG 78 -11.712 -5.964 3.043 586 HD3 ARG 78 HD1 ARG 78 -10.234 -5.483 3.866 587 HE ARG 78 HE ARG 78 -11.214 -7.175 5.646 588 HH11 ARG 78 HH11 ARG 78 -11.066 -7.478 2.176 589 HH12 ARG 78 HH12 ARG 78 -10.957 -9.206 2.204 590 HH21 ARG 78 HH21 ARG 78 -11.071 -9.450 5.690 591 HH22 ARG 78 HH22 ARG 78 -10.962 -10.326 4.200 592 H GLU 79 HN GLU 79 -14.812 -4.384 5.970 593 HA GLU 79 HA GLU 79 -16.110 -6.338 4.488 594 HB2 GLU 79 HB2 GLU 79 -17.361 -5.031 6.902 595 HB3 GLU 79 HB1 GLU 79 -17.501 -6.706 6.385 596 HG2 GLU 79 HG2 GLU 79 -15.185 -7.108 6.965 597 HG3 GLU 79 HG1 GLU 79 -14.986 -5.413 7.412 598 H ALA 80 HN ALA 80 -16.749 -3.042 4.986 599 HA ALA 80 HA ALA 80 -19.264 -3.091 3.508 600 HB1 ALA 80 HB1 ALA 80 -18.013 -1.110 5.401 601 HB2 ALA 80 HB2 ALA 80 -19.522 -2.013 5.597 602 HB3 ALA 80 HB3 ALA 80 -19.421 -0.718 4.404 603 H GLU 81 HN GLU 81 -15.949 -2.031 3.415 604 HA GLU 81 HA GLU 81 -16.444 -0.667 0.840 605 HB2 GLU 81 HB2 GLU 81 -14.174 0.105 2.620 606 HB3 GLU 81 HB1 GLU 81 -14.983 1.040 1.373 607 HG2 GLU 81 HG2 GLU 81 -16.254 0.286 3.989 608 HG3 GLU 81 HG1 GLU 81 -15.406 1.804 3.702 609 HA PRO 82 HA PRO 82 -13.486 -4.131 -0.026 610 HB2 PRO 82 HB2 PRO 82 -14.152 -4.265 -2.690 611 HB3 PRO 82 HB1 PRO 82 -14.969 -5.180 -1.417 612 HG2 PRO 82 HG2 PRO 82 -15.788 -2.632 -2.748 613 HG3 PRO 82 HG1 PRO 82 -16.781 -4.024 -2.281 614 HD2 PRO 82 HD2 PRO 82 -16.720 -1.759 -0.822 615 HD3 PRO 82 HD1 PRO 82 -16.902 -3.355 -0.069 616 H ARG 83 HN ARG 83 -13.950 -0.953 -1.202 617 HA ARG 83 HA ARG 83 -12.003 -0.672 -3.150 618 HB2 ARG 83 HB2 ARG 83 -13.186 1.210 -1.158 619 HB3 ARG 83 HB1 ARG 83 -11.825 1.735 -2.138 620 HG2 ARG 83 HG2 ARG 83 -13.117 1.123 -4.166 621 HG3 ARG 83 HG1 ARG 83 -14.498 0.773 -3.125 622 HD2 ARG 83 HD2 ARG 83 -14.597 3.042 -2.380 623 HD3 ARG 83 HD1 ARG 83 -13.090 3.433 -3.212 624 HE ARG 83 HE ARG 83 -15.472 2.590 -4.718 625 HH11 ARG 83 HH11 ARG 83 -12.964 4.916 -4.043 626 HH12 ARG 83 HH12 ARG 83 -13.354 5.919 -5.399 627 HH21 ARG 83 HH21 ARG 83 -15.991 3.907 -6.501 628 HH22 ARG 83 HH22 ARG 83 -15.075 5.346 -6.797 629 H VAL 84 HN VAL 84 -9.891 -0.265 -3.207 630 HA VAL 84 HA VAL 84 -8.356 -0.309 -0.698 631 HB VAL 84 HB VAL 84 -6.891 -1.571 -2.843 632 HG11 VAL 84 HG11 VAL 84 -6.018 -2.563 -1.081 633 HG12 VAL 84 HG12 VAL 84 -7.563 -3.337 -0.714 634 HG13 VAL 84 HG13 VAL 84 -7.201 -1.738 -0.066 635 HG21 VAL 84 HG21 VAL 84 -9.335 -3.099 -2.004 636 HG22 VAL 84 HG22 VAL 84 -8.144 -3.539 -3.229 637 HG23 VAL 84 HG23 VAL 84 -9.256 -2.197 -3.518 638 H LEU 85 HN LEU 85 -6.090 0.578 -1.013 639 HA LEU 85 HA LEU 85 -5.852 2.264 -3.401 640 HB2 LEU 85 HB2 LEU 85 -6.909 3.574 -1.530 641 HB3 LEU 85 HB1 LEU 85 -5.414 3.383 -0.640 642 HG LEU 85 HG LEU 85 -4.305 4.482 -2.709 643 HD11 LEU 85 HD11 LEU 85 -6.059 4.464 -4.293 644 HD12 LEU 85 HD12 LEU 85 -5.879 6.146 -3.782 645 HD13 LEU 85 HD13 LEU 85 -7.211 5.170 -3.144 646 HD21 LEU 85 HD21 LEU 85 -5.991 5.909 -0.675 647 HD22 LEU 85 HD22 LEU 85 -4.950 6.767 -1.812 648 HD23 LEU 85 HD23 LEU 85 -4.248 5.625 -0.664 649 H ARG 86 HN ARG 86 -3.737 3.227 -3.646 650 HA ARG 86 HA ARG 86 -1.537 2.100 -2.125 651 HB2 ARG 86 HB2 ARG 86 -0.849 0.593 -3.641 652 HB3 ARG 86 HB1 ARG 86 -2.310 0.874 -4.547 653 HG2 ARG 86 HG2 ARG 86 -1.198 2.605 -5.838 654 HG3 ARG 86 HG1 ARG 86 0.275 2.356 -4.902 655 HD2 ARG 86 HD2 ARG 86 0.416 0.059 -5.706 656 HD3 ARG 86 HD1 ARG 86 -1.081 0.271 -6.612 657 HE ARG 86 HE ARG 86 0.875 2.209 -7.339 658 HH11 ARG 86 HH11 ARG 86 -0.072 -1.111 -7.813 659 HH12 ARG 86 HH12 ARG 86 0.691 -1.240 -9.363 660 HH21 ARG 86 HH21 ARG 86 1.881 2.047 -9.375 661 HH22 ARG 86 HH22 ARG 86 1.804 0.555 -10.250 662 H LEU 87 HN LEU 87 0.375 3.334 -2.355 663 HA LEU 87 HA LEU 87 0.363 5.578 -4.202 664 HB2 LEU 87 HB2 LEU 87 -0.816 6.315 -2.076 665 HB3 LEU 87 HB1 LEU 87 0.698 6.050 -1.248 666 HG LEU 87 HG LEU 87 1.738 7.889 -2.213 667 HD11 LEU 87 HD11 LEU 87 -0.281 7.512 -4.375 668 HD12 LEU 87 HD12 LEU 87 1.463 7.734 -4.494 669 HD13 LEU 87 HD13 LEU 87 0.420 9.111 -4.128 670 HD21 LEU 87 HD21 LEU 87 -1.169 8.653 -1.967 671 HD22 LEU 87 HD22 LEU 87 0.210 9.748 -1.877 672 HD23 LEU 87 HD23 LEU 87 -0.025 8.519 -0.632 673 H ASN 88 HN ASN 88 2.358 5.865 -4.982 674 HA ASN 88 HA ASN 88 4.523 4.420 -3.630 675 HB2 ASN 88 HB2 ASN 88 5.732 4.721 -5.840 676 HB3 ASN 88 HB1 ASN 88 4.292 3.708 -5.878 677 HD21 ASN 88 HD21 ASN 88 4.018 4.028 -8.074 678 HD22 ASN 88 HD22 ASN 88 3.442 5.524 -8.720 679 H GLU 89 HN GLU 89 6.783 5.447 -4.159 680 HA GLU 89 HA GLU 89 7.055 7.749 -2.588 681 HB2 GLU 89 HB2 GLU 89 9.331 7.533 -2.926 682 HB3 GLU 89 HB1 GLU 89 8.763 5.902 -3.234 683 HG2 GLU 89 HG2 GLU 89 9.369 7.943 -5.361 684 HG3 GLU 89 HG1 GLU 89 10.449 6.647 -4.854 685 H SER 90 HN SER 90 5.985 7.500 -5.764 686 HA SER 90 HA SER 90 6.940 10.180 -6.507 687 HB2 SER 90 HB2 SER 90 6.089 9.594 -8.789 688 HB3 SER 90 HB1 SER 90 7.385 8.543 -8.222 689 HG SER 90 HG SER 90 5.997 7.048 -8.775 690 H LEU 91 HN LEU 91 4.728 9.198 -4.695 691 HA LEU 91 HA LEU 91 2.679 9.818 -4.043 692 HB2 LEU 91 HB2 LEU 91 3.596 12.162 -5.615 693 HB3 LEU 91 HB1 LEU 91 2.031 12.163 -4.821 694 HG LEU 91 HG LEU 91 4.387 12.970 -3.703 695 HD11 LEU 91 HD11 LEU 91 1.991 11.939 -2.212 696 HD12 LEU 91 HD12 LEU 91 2.092 13.519 -2.993 697 HD13 LEU 91 HD13 LEU 91 3.157 13.134 -1.641 698 HD21 LEU 91 HD21 LEU 91 5.021 11.421 -1.978 699 HD22 LEU 91 HD22 LEU 91 5.172 10.627 -3.548 700 HD23 LEU 91 HD23 LEU 91 3.789 10.277 -2.509 701 H THR 92 HN THR 92 2.982 8.328 -6.598 702 HA THR 92 HA THR 92 0.519 9.050 -8.001 703 HB THR 92 HB THR 92 2.616 6.958 -8.599 704 HG1 THR 92 HG1 THR 92 2.120 9.560 -9.458 705 HG21 THR 92 HG21 THR 92 1.404 6.554 -10.692 706 HG22 THR 92 HG22 THR 92 0.138 7.667 -10.176 707 HG23 THR 92 HG23 THR 92 0.403 6.162 -9.293 708 H ALA 93 HN ALA 93 -1.316 8.225 -7.224 709 HA ALA 93 HA ALA 93 -1.183 5.660 -5.774 710 HB1 ALA 93 HB1 ALA 93 -2.823 6.376 -4.347 711 HB2 ALA 93 HB2 ALA 93 -3.525 7.472 -5.534 712 HB3 ALA 93 HB3 ALA 93 -2.028 7.911 -4.705 713 H VAL 94 HN VAL 94 -2.869 4.222 -5.910 714 HA VAL 94 HA VAL 94 -4.788 4.533 -8.081 715 HB VAL 94 HB VAL 94 -2.857 3.313 -9.091 716 HG11 VAL 94 HG11 VAL 94 -2.666 2.034 -6.682 717 HG12 VAL 94 HG12 VAL 94 -1.909 1.487 -8.179 718 HG13 VAL 94 HG13 VAL 94 -3.459 0.812 -7.679 719 HG21 VAL 94 HG21 VAL 94 -5.484 1.868 -8.754 720 HG22 VAL 94 HG22 VAL 94 -4.246 1.356 -9.903 721 HG23 VAL 94 HG23 VAL 94 -4.997 2.946 -10.067 722 H VAL 95 HN VAL 95 -6.667 3.829 -7.617 723 HA VAL 95 HA VAL 95 -7.052 2.387 -5.105 724 HB VAL 95 HB VAL 95 -8.137 4.491 -5.090 725 HG11 VAL 95 HG11 VAL 95 -7.984 4.835 -7.534 726 HG12 VAL 95 HG12 VAL 95 -9.573 5.269 -6.875 727 HG13 VAL 95 HG13 VAL 95 -9.369 3.749 -7.744 728 HG21 VAL 95 HG21 VAL 95 -10.458 3.917 -4.822 729 HG22 VAL 95 HG22 VAL 95 -9.485 2.549 -4.273 730 HG23 VAL 95 HG23 VAL 95 -10.272 2.496 -5.851 731 H CYS 96 HN CYS 96 -8.454 0.672 -4.966 732 HA CYS 96 HA CYS 96 -9.315 -0.533 -7.501 733 HB2 CYS 96 HB2 CYS 96 -8.076 -1.790 -5.064 734 HB3 CYS 96 HB1 CYS 96 -9.117 -2.733 -6.120 735 H GLY 97 HN GLY 97 -11.250 -1.766 -7.410 736 HA2 GLY 97 HA2 GLY 97 -13.063 -0.765 -5.322 737 HA3 GLY 97 HA1 GLY 97 -13.554 -1.215 -6.951 738 H LYS 98 HN LYS 98 -11.294 -3.340 -6.017 739 HA LYS 98 HA LYS 98 -12.958 -5.133 -4.475 740 HB2 LYS 98 HB2 LYS 98 -13.294 -5.316 -7.126 741 HB3 LYS 98 HB1 LYS 98 -11.861 -6.304 -6.970 742 HG2 LYS 98 HG2 LYS 98 -14.486 -6.722 -5.568 743 HG3 LYS 98 HG1 LYS 98 -13.839 -7.677 -6.908 744 HD2 LYS 98 HD2 LYS 98 -13.021 -9.037 -5.318 745 HD3 LYS 98 HD1 LYS 98 -11.822 -7.773 -5.027 746 HE2 LYS 98 HE2 LYS 98 -12.806 -8.342 -2.928 747 HE3 LYS 98 HE1 LYS 98 -13.401 -6.749 -3.400 748 HZ1 LYS 98 HZ1 LYS 98 -14.878 -9.303 -3.747 749 HZ2 LYS 98 HZ2 LYS 98 -15.446 -7.765 -4.162 750 HZ3 LYS 98 HZ3 LYS 98 -15.174 -8.155 -2.538 751 H MET 99 HN MET 99 -11.690 -6.080 -3.036 752 HA MET 99 HA MET 99 -8.849 -6.420 -3.717 753 HB2 MET 99 HB2 MET 99 -9.679 -4.824 -1.773 754 HB3 MET 99 HB1 MET 99 -9.751 -6.330 -0.876 755 HG2 MET 99 HG2 MET 99 -7.298 -6.335 -2.220 756 HG3 MET 99 HG1 MET 99 -7.483 -4.728 -1.526 757 HE1 MET 99 HE1 MET 99 -7.452 -8.514 -0.916 758 HE2 MET 99 HE2 MET 99 -9.022 -8.023 -0.282 759 HE3 MET 99 HE3 MET 99 -7.781 -8.641 0.815 760 H LYS 100 HN LYS 100 -8.542 -8.447 -4.256 761 HA LYS 100 HA LYS 100 -10.130 -10.551 -3.008 762 HB2 LYS 100 HB2 LYS 100 -8.100 -10.815 -5.227 763 HB3 LYS 100 HB1 LYS 100 -9.319 -11.991 -4.755 764 HG2 LYS 100 HG2 LYS 100 -11.083 -10.478 -5.467 765 HG3 LYS 100 HG1 LYS 100 -9.878 -9.266 -5.905 766 HD2 LYS 100 HD2 LYS 100 -8.934 -10.824 -7.556 767 HD3 LYS 100 HD1 LYS 100 -10.170 -12.009 -7.130 768 HE2 LYS 100 HE2 LYS 100 -10.680 -9.261 -8.268 769 HE3 LYS 100 HE1 LYS 100 -10.751 -10.776 -9.168 770 HZ1 LYS 100 HZ1 LYS 100 -12.491 -10.033 -6.877 771 HZ2 LYS 100 HZ2 LYS 100 -12.553 -11.499 -7.719 772 HZ3 LYS 100 HZ3 LYS 100 -12.950 -10.055 -8.507 773 H GLY 101 HN GLY 101 -6.680 -10.365 -3.915 774 HA2 GLY 101 HA2 GLY 101 -6.021 -12.160 -1.725 775 HA3 GLY 101 HA1 GLY 101 -4.920 -11.578 -2.965 776 H LYS 102 HN LYS 102 -3.524 -10.033 -2.448 777 HA LYS 102 HA LYS 102 -2.254 -8.757 -1.026 778 HB2 LYS 102 HB2 LYS 102 -4.359 -6.965 -0.218 779 HB3 LYS 102 HB1 LYS 102 -3.012 -6.676 -1.307 780 HG2 LYS 102 HG2 LYS 102 -5.273 -8.227 -2.391 781 HG3 LYS 102 HG1 LYS 102 -5.572 -6.531 -2.040 782 HD2 LYS 102 HD2 LYS 102 -4.881 -6.563 -4.275 783 HD3 LYS 102 HD1 LYS 102 -3.448 -6.057 -3.377 784 HE2 LYS 102 HE2 LYS 102 -2.480 -8.217 -3.557 785 HE3 LYS 102 HE1 LYS 102 -3.988 -8.912 -4.147 786 HZ1 LYS 102 HZ1 LYS 102 -3.767 -7.617 -6.166 787 HZ2 LYS 102 HZ2 LYS 102 -2.397 -8.580 -5.934 788 HZ3 LYS 102 HZ3 LYS 102 -2.331 -6.926 -5.603 789 H GLY 103 HN GLY 103 -3.564 -7.104 1.135 790 HA2 GLY 103 HA2 GLY 103 -4.154 -9.177 3.138 791 HA3 GLY 103 HA1 GLY 103 -2.863 -8.021 3.447 792 H SER 104 HN SER 104 -5.462 -8.464 4.848 793 HA SER 104 HA SER 104 -6.390 -5.694 4.676 794 HB2 SER 104 HB2 SER 104 -8.198 -8.081 4.871 795 HB3 SER 104 HB1 SER 104 -8.699 -6.398 4.846 796 HG SER 104 HG SER 104 -8.884 -6.953 2.773 797 H CYS 105 HN CYS 105 -6.919 -4.731 6.548 798 HA CYS 105 HA CYS 105 -6.033 -5.896 8.979 799 HB2 CYS 105 HB2 CYS 105 -6.879 -3.287 8.124 800 HB3 CYS 105 HB1 CYS 105 -7.743 -3.718 9.595 801 H THR 106 HN THR 106 -7.790 -5.480 10.933 802 HA THR 106 HA THR 106 -9.659 -6.255 11.988 803 HB THR 106 HB THR 106 -11.714 -6.355 10.937 804 HG1 THR 106 HG1 THR 106 -12.054 -7.243 8.948 805 HG21 THR 106 HG21 THR 106 -9.889 -4.461 9.751 806 HG22 THR 106 HG22 THR 106 -11.589 -4.261 10.178 807 HG23 THR 106 HG23 THR 106 -11.148 -4.918 8.598 808 H ASP 107 HN ASP 107 -7.674 -7.957 10.013 809 HA ASP 107 HA ASP 107 -8.566 -10.506 11.141 810 HB2 ASP 107 HB2 ASP 107 -7.873 -10.048 8.233 811 HB3 ASP 107 HB1 ASP 107 -8.082 -11.635 8.970 812 H GLY 108 HN GLY 108 -5.996 -8.788 9.377 813 HA2 GLY 108 HA2 GLY 108 -3.906 -8.966 10.973 814 HA3 GLY 108 HA1 GLY 108 -4.013 -10.642 10.462 815 H GLU 109 HN GLU 109 -3.833 -7.343 9.126 816 HA GLU 109 HA GLU 109 -3.032 -8.034 6.546 817 HB2 GLU 109 HB2 GLU 109 -3.236 -5.661 8.118 818 HB3 GLU 109 HB1 GLU 109 -1.731 -5.625 7.214 819 HG2 GLU 109 HG2 GLU 109 -3.178 -6.248 5.193 820 HG3 GLU 109 HG1 GLU 109 -4.534 -5.753 6.202 821 H GLU 110 HN GLU 110 -0.943 -7.880 5.539 822 HA GLU 110 HA GLU 110 1.397 -7.971 7.229 823 HB2 GLU 110 HB2 GLU 110 2.208 -10.099 6.283 824 HB3 GLU 110 HB1 GLU 110 0.759 -10.292 7.262 825 HG2 GLU 110 HG2 GLU 110 -0.579 -10.293 5.209 826 HG3 GLU 110 HG1 GLU 110 0.912 -10.220 4.276 827 H ILE 111 HN ILE 111 0.287 -8.584 3.903 828 HA ILE 111 HA ILE 111 1.951 -6.443 2.932 829 HB ILE 111 HB ILE 111 3.050 -7.884 1.204 830 HG12 ILE 111 HG12 ILE 111 3.400 -10.285 2.375 831 HG13 ILE 111 HG11 ILE 111 1.734 -9.962 2.833 832 HG21 ILE 111 HG21 ILE 111 3.972 -8.534 3.977 833 HG22 ILE 111 HG22 ILE 111 4.111 -6.914 3.285 834 HG23 ILE 111 HG23 ILE 111 4.940 -8.276 2.523 835 HD11 ILE 111 HD11 ILE 111 1.609 -9.334 0.251 836 HD12 ILE 111 HD12 ILE 111 1.338 -10.961 0.879 837 HD13 ILE 111 HD13 ILE 111 2.915 -10.531 0.205 838 H PHE 112 HN PHE 112 1.906 -6.503 0.414 839 HA PHE 112 HA PHE 112 -0.903 -6.875 -0.334 840 HB2 PHE 112 HB2 PHE 112 -0.582 -4.613 -0.473 841 HB3 PHE 112 HB1 PHE 112 1.124 -4.762 -0.843 842 HD1 PHE 112 HD2 PHE 112 -1.793 -6.162 -2.688 843 HD2 PHE 112 HD1 PHE 112 1.419 -3.378 -2.657 844 HE1 PHE 112 HE2 PHE 112 -2.272 -5.581 -5.029 845 HE2 PHE 112 HE1 PHE 112 0.933 -2.793 -4.998 846 HZ PHE 112 HZ PHE 112 -0.908 -3.897 -6.186 847 H ARG 113 HN ARG 113 -0.312 -9.165 -0.835 848 HA ARG 113 HA ARG 113 0.725 -9.347 -3.581 849 HB2 ARG 113 HB2 ARG 113 1.728 -11.410 -3.120 850 HB3 ARG 113 HB1 ARG 113 2.106 -10.439 -1.716 851 HG2 ARG 113 HG2 ARG 113 0.282 -11.495 -0.489 852 HG3 ARG 113 HG1 ARG 113 -0.081 -12.496 -1.901 853 HD2 ARG 113 HD2 ARG 113 2.342 -13.259 -1.758 854 HD3 ARG 113 HD1 ARG 113 2.359 -12.507 -0.166 855 HE ARG 113 HE ARG 113 0.164 -14.275 -0.394 856 HH11 ARG 113 HH11 ARG 113 3.628 -14.243 -0.009 857 HH12 ARG 113 HH12 ARG 113 3.681 -15.773 0.802 858 HH21 ARG 113 HH21 ARG 113 0.226 -16.290 0.669 859 HH22 ARG 113 HH22 ARG 113 1.747 -16.938 1.185 860 H GLY 114 HN GLY 114 -0.583 -10.341 -5.073 861 HA2 GLY 114 HA2 GLY 114 -2.263 -12.345 -5.078 862 HA3 GLY 114 HA1 GLY 114 -3.200 -11.239 -4.087 863 H ASN 115 HN ASN 115 -4.803 -10.408 -5.228 864 HA ASN 115 HA ASN 115 -4.250 -9.021 -7.696 865 HB2 ASN 115 HB2 ASN 115 -5.807 -11.573 -7.619 866 HB3 ASN 115 HB1 ASN 115 -6.266 -10.320 -8.765 867 HD21 ASN 115 HD21 ASN 115 -3.589 -9.358 -9.191 868 HD22 ASN 115 HD22 ASN 115 -2.770 -10.554 -10.132 869 H ASP 116 HN ASP 116 -5.657 -7.417 -8.131 870 HA ASP 116 HA ASP 116 -8.036 -7.181 -6.409 871 HB2 ASP 116 HB2 ASP 116 -7.478 -4.598 -7.001 872 HB3 ASP 116 HB1 ASP 116 -6.929 -5.387 -5.532 873 H ALA 117 HN ALA 117 -9.754 -5.803 -7.356 874 HA ALA 117 HA ALA 117 -9.706 -5.762 -10.299 875 HB1 ALA 117 HB1 ALA 117 -10.959 -7.751 -9.377 876 HB2 ALA 117 HB2 ALA 117 -11.880 -6.695 -10.450 877 HB3 ALA 117 HB3 ALA 117 -12.120 -6.601 -8.700 878 H GLU 118 HN GLU 118 -11.493 -4.453 -11.211 879 HA GLU 118 HA GLU 118 -12.428 -2.393 -11.472 880 HB2 GLU 118 HB2 GLU 118 -13.171 -3.027 -8.609 881 HB3 GLU 118 HB1 GLU 118 -13.859 -1.688 -9.528 882 HG2 GLU 118 HG2 GLU 118 -14.106 -4.621 -10.148 883 HG3 GLU 118 HG1 GLU 118 -15.372 -3.558 -9.536 884 H CYS 119 HN CYS 119 -9.895 -1.826 -11.375 885 HA CYS 119 HA CYS 119 -9.598 0.190 -9.235 886 HB2 CYS 119 HB2 CYS 119 -7.224 -0.972 -10.641 887 HB3 CYS 119 HB1 CYS 119 -7.321 -0.217 -9.061 888 H ARG 120 HN ARG 120 -8.760 2.138 -9.658 889 HA ARG 120 HA ARG 120 -8.093 2.904 -12.387 890 HB2 ARG 120 HB2 ARG 120 -9.643 4.620 -12.458 891 HB3 ARG 120 HB1 ARG 120 -10.548 3.330 -11.685 892 HG2 ARG 120 HG2 ARG 120 -11.012 4.722 -10.047 893 HG3 ARG 120 HG1 ARG 120 -9.302 4.699 -9.615 894 HD2 ARG 120 HD2 ARG 120 -9.780 6.966 -9.899 895 HD3 ARG 120 HD1 ARG 120 -9.007 6.479 -11.409 896 HE ARG 120 HE ARG 120 -11.739 6.171 -11.765 897 HH11 ARG 120 HH11 ARG 120 -9.489 8.758 -11.144 898 HH12 ARG 120 HH12 ARG 120 -10.455 9.960 -11.933 899 HH21 ARG 120 HH21 ARG 120 -13.019 7.746 -12.802 900 HH22 ARG 120 HH22 ARG 120 -12.462 9.384 -12.875 901 HA PRO 121 HA PRO 121 -4.916 5.246 -10.398 902 HB2 PRO 121 HB2 PRO 121 -4.659 7.433 -11.913 903 HB3 PRO 121 HB1 PRO 121 -4.236 5.825 -12.522 904 HG2 PRO 121 HG2 PRO 121 -6.780 7.360 -12.908 905 HG3 PRO 121 HG1 PRO 121 -5.774 6.559 -14.130 906 HD2 PRO 121 HD2 PRO 121 -7.964 5.370 -13.133 907 HD3 PRO 121 HD1 PRO 121 -6.499 4.441 -13.512 908 H PHE 122 HN PHE 122 -5.007 6.294 -8.531 909 HA PHE 122 HA PHE 122 -7.018 8.413 -8.189 910 HB2 PHE 122 HB2 PHE 122 -6.514 6.100 -6.674 911 HB3 PHE 122 HB1 PHE 122 -5.900 7.431 -5.713 912 HD1 PHE 122 HD2 PHE 122 -8.808 7.671 -8.001 913 HD2 PHE 122 HD1 PHE 122 -7.451 7.390 -3.982 914 HE1 PHE 122 HE2 PHE 122 -11.075 8.205 -7.203 915 HE2 PHE 122 HE1 PHE 122 -9.708 7.916 -3.172 916 HZ PHE 122 HZ PHE 122 -11.528 8.330 -4.785 917 H THR 123 HN THR 123 -6.455 10.362 -7.302 918 HA THR 123 HA THR 123 -3.602 10.767 -6.705 919 HB THR 123 HB THR 123 -3.752 13.019 -7.724 920 HG1 THR 123 HG1 THR 123 -6.348 12.091 -8.397 921 HG21 THR 123 HG21 THR 123 -2.835 11.152 -8.992 922 HG22 THR 123 HG22 THR 123 -3.683 12.280 -10.047 923 HG23 THR 123 HG23 THR 123 -4.446 10.757 -9.590 924 H GLY 124 HN GLY 124 -3.591 11.047 -4.572 925 HA2 GLY 124 HA2 GLY 124 -5.689 12.179 -3.059 926 HA3 GLY 124 HA1 GLY 124 -4.051 11.893 -2.495 Start of MODEL 20 1 H1 HIS 6 HT1 HIS 6 -21.782 6.982 -3.280 2 H2 HIS 6 HT2 HIS 6 -20.991 5.514 -3.561 3 H3 HIS 6 HT3 HIS 6 -20.265 6.692 -2.589 4 HA HIS 6 HA HIS 6 -21.975 6.462 -0.934 5 HB2 HIS 6 HB2 HIS 6 -23.653 4.670 -1.152 6 HB3 HIS 6 HB1 HIS 6 -23.815 5.868 -2.431 7 HD1 HIS 6 HD1 HIS 6 -23.108 2.286 -1.831 8 HD2 HIS 6 HD2 HIS 6 -23.042 4.952 -5.016 9 HE1 HIS 6 HE1 HIS 6 -22.968 0.859 -3.897 10 HE2 HIS 6 HE2 HIS 6 -22.995 2.493 -5.816 11 H ARG 7 HN ARG 7 -19.919 4.399 -2.728 12 HA ARG 7 HA ARG 7 -19.485 2.677 -0.383 13 HB2 ARG 7 HB2 ARG 7 -20.049 1.735 -2.741 14 HB3 ARG 7 HB1 ARG 7 -18.367 2.101 -3.101 15 HG2 ARG 7 HG2 ARG 7 -19.002 0.521 -0.658 16 HG3 ARG 7 HG1 ARG 7 -19.078 -0.265 -2.235 17 HD2 ARG 7 HD2 ARG 7 -16.698 1.180 -1.079 18 HD3 ARG 7 HD1 ARG 7 -16.883 -0.552 -1.214 19 HE ARG 7 HE ARG 7 -16.051 1.223 -3.263 20 HH11 ARG 7 HH11 ARG 7 -17.867 -1.703 -2.713 21 HH12 ARG 7 HH12 ARG 7 -17.569 -2.336 -4.298 22 HH21 ARG 7 HH21 ARG 7 -15.661 0.397 -5.350 23 HH22 ARG 7 HH22 ARG 7 -16.317 -1.143 -5.796 24 H SER 8 HN SER 8 -18.114 5.174 -2.261 25 HA SER 8 HA SER 8 -15.453 4.910 -2.315 26 HB2 SER 8 HB2 SER 8 -15.249 7.331 -1.581 27 HB3 SER 8 HB1 SER 8 -16.344 7.026 -2.933 28 HG SER 8 HG SER 8 -17.731 6.807 -0.678 29 H ALA 9 HN ALA 9 -14.431 3.657 -0.927 30 HA ALA 9 HA ALA 9 -14.803 3.559 1.842 31 HB1 ALA 9 HB1 ALA 9 -13.794 1.773 0.518 32 HB2 ALA 9 HB2 ALA 9 -12.749 2.260 1.860 33 HB3 ALA 9 HB3 ALA 9 -12.385 2.799 0.219 34 H ASN 10 HN ASN 10 -12.598 3.822 3.210 35 HA ASN 10 HA ASN 10 -12.224 6.668 3.359 36 HB2 ASN 10 HB2 ASN 10 -10.950 4.471 5.001 37 HB3 ASN 10 HB1 ASN 10 -10.967 6.187 5.395 38 HD21 ASN 10 HD21 ASN 10 -13.709 6.546 4.471 39 HD22 ASN 10 HD22 ASN 10 -14.717 5.835 5.681 40 H LEU 11 HN LEU 11 -11.172 5.671 0.927 41 HA LEU 11 HA LEU 11 -8.427 5.116 0.970 42 HB2 LEU 11 HB2 LEU 11 -9.807 6.785 -1.114 43 HB3 LEU 11 HB1 LEU 11 -8.376 5.807 -1.299 44 HG LEU 11 HG LEU 11 -10.926 4.487 -0.565 45 HD11 LEU 11 HD11 LEU 11 -10.147 5.300 -3.350 46 HD12 LEU 11 HD12 LEU 11 -11.453 6.023 -2.397 47 HD13 LEU 11 HD13 LEU 11 -11.554 4.330 -2.895 48 HD21 LEU 11 HD21 LEU 11 -8.715 3.293 -0.681 49 HD22 LEU 11 HD22 LEU 11 -8.721 3.619 -2.415 50 HD23 LEU 11 HD23 LEU 11 -9.988 2.621 -1.700 51 H ARG 12 HN ARG 12 -10.188 7.945 1.559 52 HA ARG 12 HA ARG 12 -8.236 9.890 0.933 53 HB2 ARG 12 HB2 ARG 12 -10.055 10.622 3.098 54 HB3 ARG 12 HB1 ARG 12 -9.846 11.361 1.517 55 HG2 ARG 12 HG2 ARG 12 -11.518 8.927 2.136 56 HG3 ARG 12 HG1 ARG 12 -12.120 10.551 1.811 57 HD2 ARG 12 HD2 ARG 12 -10.498 8.925 -0.151 58 HD3 ARG 12 HD1 ARG 12 -12.264 8.967 -0.130 59 HE ARG 12 HE ARG 12 -11.949 11.469 -0.454 60 HH11 ARG 12 HH11 ARG 12 -9.685 9.101 -1.637 61 HH12 ARG 12 HH12 ARG 12 -9.147 10.087 -2.955 62 HH21 ARG 12 HH21 ARG 12 -11.248 12.772 -2.183 63 HH22 ARG 12 HH22 ARG 12 -10.036 12.174 -3.266 64 H ALA 13 HN ALA 13 -8.888 7.897 3.681 65 HA ALA 13 HA ALA 13 -7.087 9.237 5.475 66 HB1 ALA 13 HB1 ALA 13 -8.215 6.449 5.628 67 HB2 ALA 13 HB2 ALA 13 -8.998 7.894 6.275 68 HB3 ALA 13 HB3 ALA 13 -7.459 7.351 6.940 69 H ALA 14 HN ALA 14 -7.009 6.566 3.272 70 HA ALA 14 HA ALA 14 -4.411 5.632 4.021 71 HB1 ALA 14 HB1 ALA 14 -6.283 4.286 2.966 72 HB2 ALA 14 HB2 ALA 14 -4.679 4.067 2.269 73 HB3 ALA 14 HB3 ALA 14 -5.868 5.080 1.442 74 H HIS 15 HN HIS 15 -5.770 7.649 1.505 75 HA HIS 15 HA HIS 15 -3.676 7.926 -0.214 76 HB2 HIS 15 HB2 HIS 15 -6.052 9.423 0.509 77 HB3 HIS 15 HB1 HIS 15 -4.733 10.505 0.101 78 HD1 HIS 15 HD1 HIS 15 -3.440 9.472 -2.248 79 HD2 HIS 15 HD2 HIS 15 -7.517 8.900 -1.688 80 HE1 HIS 15 HE1 HIS 15 -4.381 9.041 -4.530 81 HE2 HIS 15 HE2 HIS 15 -6.862 8.986 -4.187 82 H ALA 16 HN ALA 16 -4.173 9.272 2.972 83 HA ALA 16 HA ALA 16 -1.794 10.913 2.838 84 HB1 ALA 16 HB1 ALA 16 -3.737 11.752 4.061 85 HB2 ALA 16 HB2 ALA 16 -2.338 11.567 5.123 86 HB3 ALA 16 HB3 ALA 16 -3.640 10.376 5.163 87 H ALA 17 HN ALA 17 -2.769 7.779 4.036 88 HA ALA 17 HA ALA 17 -0.507 7.377 5.736 89 HB1 ALA 17 HB1 ALA 17 -2.391 5.401 4.475 90 HB2 ALA 17 HB2 ALA 17 -2.523 6.105 6.086 91 HB3 ALA 17 HB3 ALA 17 -1.185 5.015 5.707 92 H LEU 18 HN LEU 18 -1.359 5.891 2.587 93 HA LEU 18 HA LEU 18 1.156 4.780 2.076 94 HB2 LEU 18 HB2 LEU 18 -0.858 5.838 0.081 95 HB3 LEU 18 HB1 LEU 18 0.483 4.782 -0.308 96 HG LEU 18 HG LEU 18 -1.035 3.147 -0.173 97 HD11 LEU 18 HD11 LEU 18 0.245 2.785 1.891 98 HD12 LEU 18 HD12 LEU 18 -1.404 2.167 1.981 99 HD13 LEU 18 HD13 LEU 18 -0.985 3.683 2.780 100 HD21 LEU 18 HD21 LEU 18 -2.830 4.706 1.634 101 HD22 LEU 18 HD22 LEU 18 -3.245 3.455 0.458 102 HD23 LEU 18 HD23 LEU 18 -2.717 5.052 -0.095 103 H LEU 19 HN LEU 19 -0.048 7.990 1.865 104 HA LEU 19 HA LEU 19 2.126 9.062 0.304 105 HB2 LEU 19 HB2 LEU 19 0.134 10.315 0.203 106 HB3 LEU 19 HB1 LEU 19 -0.132 10.210 1.926 107 HG LEU 19 HG LEU 19 0.555 12.473 0.871 108 HD11 LEU 19 HD11 LEU 19 0.349 12.008 3.274 109 HD12 LEU 19 HD12 LEU 19 1.674 13.118 2.913 110 HD13 LEU 19 HD13 LEU 19 2.015 11.429 3.285 111 HD21 LEU 19 HD21 LEU 19 3.319 11.443 1.325 112 HD22 LEU 19 HD22 LEU 19 2.795 12.886 0.454 113 HD23 LEU 19 HD23 LEU 19 2.555 11.287 -0.255 114 H GLU 20 HN GLU 20 1.117 8.959 3.651 115 HA GLU 20 HA GLU 20 3.237 10.240 4.893 116 HB2 GLU 20 HB2 GLU 20 1.264 9.709 6.146 117 HB3 GLU 20 HB1 GLU 20 1.449 7.997 5.804 118 HG2 GLU 20 HG2 GLU 20 3.273 7.791 7.241 119 HG3 GLU 20 HG1 GLU 20 3.466 9.536 7.385 120 H ASN 21 HN ASN 21 2.936 7.153 3.438 121 HA ASN 21 HA ASN 21 5.419 6.111 4.507 122 HB2 ASN 21 HB2 ASN 21 4.182 4.249 4.078 123 HB3 ASN 21 HB1 ASN 21 3.162 5.065 2.907 124 HD21 ASN 21 HD21 ASN 21 5.979 3.166 3.406 125 HD22 ASN 21 HD22 ASN 21 6.331 2.857 1.747 126 H ALA 22 HN ALA 22 4.063 7.106 1.407 127 HA ALA 22 HA ALA 22 6.202 6.817 -0.268 128 HB1 ALA 22 HB1 ALA 22 5.224 8.578 -1.639 129 HB2 ALA 22 HB2 ALA 22 4.255 9.120 -0.268 130 HB3 ALA 22 HB3 ALA 22 3.964 7.532 -0.980 131 H ARG 23 HN ARG 23 5.694 9.366 2.091 132 HA ARG 23 HA ARG 23 7.914 10.937 1.148 133 HB2 ARG 23 HB2 ARG 23 7.605 12.196 3.282 134 HB3 ARG 23 HB1 ARG 23 6.144 12.097 2.306 135 HG2 ARG 23 HG2 ARG 23 5.220 10.424 3.746 136 HG3 ARG 23 HG1 ARG 23 6.735 10.290 4.639 137 HD2 ARG 23 HD2 ARG 23 5.141 11.602 5.897 138 HD3 ARG 23 HD1 ARG 23 6.488 12.616 5.379 139 HE ARG 23 HE ARG 23 4.582 12.916 3.434 140 HH11 ARG 23 HH11 ARG 23 4.721 13.393 6.884 141 HH12 ARG 23 HH12 ARG 23 3.551 14.670 6.883 142 HH21 ARG 23 HH21 ARG 23 3.041 14.595 3.426 143 HH22 ARG 23 HH22 ARG 23 2.597 15.353 4.917 144 H PHE 24 HN PHE 24 7.282 8.828 3.921 145 HA PHE 24 HA PHE 24 9.861 8.904 5.015 146 HB2 PHE 24 HB2 PHE 24 7.417 7.304 5.308 147 HB3 PHE 24 HB1 PHE 24 8.880 6.404 5.664 148 HD1 PHE 24 HD2 PHE 24 10.421 7.256 7.453 149 HD2 PHE 24 HD1 PHE 24 6.553 8.894 6.785 150 HE1 PHE 24 HE2 PHE 24 10.467 8.269 9.694 151 HE2 PHE 24 HE1 PHE 24 6.592 9.914 9.025 152 HZ PHE 24 HZ PHE 24 8.551 9.600 10.483 153 H MET 25 HN MET 25 8.552 7.304 2.262 154 HA MET 25 HA MET 25 10.719 5.400 2.036 155 HB2 MET 25 HB2 MET 25 8.380 6.100 0.247 156 HB3 MET 25 HB1 MET 25 9.595 4.897 -0.172 157 HG2 MET 25 HG2 MET 25 7.258 4.421 1.190 158 HG3 MET 25 HG1 MET 25 8.648 3.343 1.111 159 HE1 MET 25 HE1 MET 25 9.923 2.556 3.124 160 HE2 MET 25 HE2 MET 25 10.178 3.499 4.592 161 HE3 MET 25 HE3 MET 25 10.827 4.071 3.055 162 H GLU 26 HN GLU 26 9.570 8.369 0.580 163 HA GLU 26 HA GLU 26 11.622 8.767 -1.271 164 HB2 GLU 26 HB2 GLU 26 9.570 10.393 0.100 165 HB3 GLU 26 HB1 GLU 26 10.985 11.299 -0.386 166 HG2 GLU 26 HG2 GLU 26 9.132 9.723 -2.138 167 HG3 GLU 26 HG1 GLU 26 9.361 11.468 -2.109 168 H GLN 27 HN GLN 27 11.426 8.852 2.129 169 HA GLN 27 HA GLN 27 13.861 10.330 2.603 170 HB2 GLN 27 HB2 GLN 27 11.999 8.846 4.425 171 HB3 GLN 27 HB1 GLN 27 13.416 9.695 4.982 172 HG2 GLN 27 HG2 GLN 27 12.507 11.727 4.537 173 HG3 GLN 27 HG1 GLN 27 11.352 11.107 3.386 174 HE21 GLN 27 HE21 GLN 27 11.976 9.750 6.548 175 HE22 GLN 27 HE22 GLN 27 10.448 10.158 7.243 176 H PHE 28 HN PHE 28 12.695 7.020 3.203 177 HA PHE 28 HA PHE 28 14.982 5.860 4.172 178 HB2 PHE 28 HB2 PHE 28 12.786 4.725 3.986 179 HB3 PHE 28 HB1 PHE 28 13.049 4.567 2.256 180 HD1 PHE 28 HD2 PHE 28 14.169 3.456 5.572 181 HD2 PHE 28 HD1 PHE 28 14.497 2.889 1.369 182 HE1 PHE 28 HE2 PHE 28 15.336 1.323 5.953 183 HE2 PHE 28 HE1 PHE 28 15.657 0.748 1.738 184 HZ PHE 28 HZ PHE 28 16.083 -0.032 4.036 185 H TYR 29 HN TYR 29 14.050 6.368 0.807 186 HA TYR 29 HA TYR 29 16.333 5.155 -0.363 187 HB2 TYR 29 HB2 TYR 29 14.339 5.572 -1.692 188 HB3 TYR 29 HB1 TYR 29 14.429 7.295 -1.367 189 HD1 TYR 29 HD1 TYR 29 15.938 4.515 -3.251 190 HD2 TYR 29 HD2 TYR 29 15.901 8.717 -2.612 191 HE1 TYR 29 HE1 TYR 29 17.270 4.831 -5.295 192 HE2 TYR 29 HE2 TYR 29 17.228 9.050 -4.648 193 HH TYR 29 HH TYR 29 17.694 6.626 -6.956 194 H ALA 30 HN ALA 30 15.480 8.456 0.557 195 HA ALA 30 HA ALA 30 17.839 9.725 -0.318 196 HB1 ALA 30 HB1 ALA 30 17.150 11.504 1.332 197 HB2 ALA 30 HB2 ALA 30 15.820 10.443 1.806 198 HB3 ALA 30 HB3 ALA 30 15.919 11.053 0.154 199 H LYS 31 HN LYS 31 17.211 7.613 2.257 200 HA LYS 31 HA LYS 31 19.616 8.423 3.730 201 HB2 LYS 31 HB2 LYS 31 17.389 6.549 4.554 202 HB3 LYS 31 HB1 LYS 31 18.727 7.071 5.568 203 HG2 LYS 31 HG2 LYS 31 17.816 9.108 5.962 204 HG3 LYS 31 HG1 LYS 31 17.031 9.186 4.384 205 HD2 LYS 31 HD2 LYS 31 15.271 7.754 5.087 206 HD3 LYS 31 HD1 LYS 31 16.131 7.317 6.567 207 HE2 LYS 31 HE2 LYS 31 14.972 10.010 5.869 208 HE3 LYS 31 HE1 LYS 31 14.370 8.885 7.085 209 HZ1 LYS 31 HZ1 LYS 31 16.980 10.301 7.142 210 HZ2 LYS 31 HZ2 LYS 31 16.473 9.163 8.286 211 HZ3 LYS 31 HZ3 LYS 31 15.641 10.627 8.124 212 H LYS 32 HN LYS 32 18.282 5.999 1.705 213 HA LYS 32 HA LYS 32 20.623 4.278 2.147 214 HB2 LYS 32 HB2 LYS 32 17.731 3.630 1.896 215 HB3 LYS 32 HB1 LYS 32 18.892 2.502 1.224 216 HG2 LYS 32 HG2 LYS 32 19.213 3.486 4.015 217 HG3 LYS 32 HG1 LYS 32 18.058 2.205 3.654 218 HD2 LYS 32 HD2 LYS 32 19.835 0.860 2.668 219 HD3 LYS 32 HD1 LYS 32 20.999 2.150 2.982 220 HE2 LYS 32 HE2 LYS 32 20.613 1.918 5.383 221 HE3 LYS 32 HE1 LYS 32 19.429 0.647 5.076 222 HZ1 LYS 32 HZ1 LYS 32 21.177 -0.705 4.108 223 HZ2 LYS 32 HZ2 LYS 32 21.583 -0.266 5.689 224 HZ3 LYS 32 HZ3 LYS 32 22.315 0.517 4.383 225 H GLY 33 HN GLY 33 18.014 4.097 -0.230 226 HA2 GLY 33 HA2 GLY 33 18.629 5.213 -2.467 227 HA3 GLY 33 HA1 GLY 33 20.043 4.174 -2.359 228 H SER 34 HN SER 34 17.968 2.260 -0.962 229 HA SER 34 HA SER 34 16.305 1.405 -3.135 230 HB2 SER 34 HB2 SER 34 18.673 -0.330 -2.394 231 HB3 SER 34 HB1 SER 34 17.365 -0.792 -3.480 232 HG SER 34 HG SER 34 18.855 -0.041 -4.842 233 H PHE 35 HN PHE 35 14.850 -0.278 -2.538 234 HA PHE 35 HA PHE 35 14.585 -0.544 0.354 235 HB2 PHE 35 HB2 PHE 35 12.678 -0.945 -1.932 236 HB3 PHE 35 HB1 PHE 35 12.372 -1.738 -0.391 237 HD1 PHE 35 HD1 PHE 35 13.896 1.591 -0.948 238 HD2 PHE 35 HD2 PHE 35 10.504 -0.604 0.389 239 HE1 PHE 35 HE1 PHE 35 12.909 3.662 -0.061 240 HE2 PHE 35 HE2 PHE 35 9.514 1.466 1.273 241 HZ PHE 35 HZ PHE 35 10.723 3.595 1.047 242 H LYS 36 HN LYS 36 13.762 -2.950 -2.160 243 HA LYS 36 HA LYS 36 14.695 -5.068 -0.445 244 HB2 LYS 36 HB2 LYS 36 12.929 -5.059 -2.512 245 HB3 LYS 36 HB1 LYS 36 14.372 -5.662 -3.306 246 HG2 LYS 36 HG2 LYS 36 14.565 -7.417 -1.587 247 HG3 LYS 36 HG1 LYS 36 13.027 -6.869 -0.918 248 HD2 LYS 36 HD2 LYS 36 12.735 -8.799 -2.410 249 HD3 LYS 36 HD1 LYS 36 11.908 -7.368 -3.017 250 HE2 LYS 36 HE2 LYS 36 13.766 -6.950 -4.559 251 HE3 LYS 36 HE1 LYS 36 14.576 -8.397 -3.964 252 HZ1 LYS 36 HZ1 LYS 36 12.707 -9.718 -4.752 253 HZ2 LYS 36 HZ2 LYS 36 13.404 -8.841 -6.019 254 HZ3 LYS 36 HZ3 LYS 36 11.945 -8.324 -5.337 255 H LEU 37 HN LEU 37 16.343 -6.520 -0.951 256 HA LEU 37 HA LEU 37 18.577 -5.274 -2.404 257 HB2 LEU 37 HB2 LEU 37 19.839 -6.847 -0.667 258 HB3 LEU 37 HB1 LEU 37 19.360 -5.209 -0.265 259 HG LEU 37 HG LEU 37 17.322 -6.086 0.860 260 HD11 LEU 37 HD11 LEU 37 18.255 -8.555 -0.381 261 HD12 LEU 37 HD12 LEU 37 16.621 -7.978 0.004 262 HD13 LEU 37 HD13 LEU 37 17.644 -8.684 1.269 263 HD21 LEU 37 HD21 LEU 37 18.421 -7.010 2.786 264 HD22 LEU 37 HD22 LEU 37 19.460 -5.761 2.099 265 HD23 LEU 37 HD23 LEU 37 19.828 -7.463 1.825 266 H THR 38 HN THR 38 16.735 -8.133 -1.754 267 HA THR 38 HA THR 38 17.914 -9.510 -4.027 268 HB THR 38 HB THR 38 19.180 -10.176 -1.887 269 HG1 THR 38 HG1 THR 38 17.836 -12.297 -3.231 270 HG21 THR 38 HG21 THR 38 16.621 -11.706 -1.386 271 HG22 THR 38 HG22 THR 38 17.116 -10.279 -0.474 272 HG23 THR 38 HG23 THR 38 18.093 -11.750 -0.411 273 H SER 39 HN SER 39 16.578 -11.315 -4.733 274 HA SER 39 HA SER 39 13.808 -10.850 -4.423 275 HB2 SER 39 HB2 SER 39 13.529 -12.988 -5.672 276 HB3 SER 39 HB1 SER 39 14.666 -11.894 -6.461 277 HG SER 39 HG SER 39 15.422 -14.004 -4.720 278 H THR 40 HN THR 40 12.388 -11.638 -3.071 279 HA THR 40 HA THR 40 11.372 -12.907 -1.492 280 HB THR 40 HB THR 40 12.165 -14.969 -0.683 281 HG1 THR 40 HG1 THR 40 14.606 -15.192 -1.753 282 HG21 THR 40 HG21 THR 40 11.501 -14.852 -3.089 283 HG22 THR 40 HG22 THR 40 12.583 -16.194 -2.698 284 HG23 THR 40 HG23 THR 40 13.217 -14.758 -3.501 285 H LYS 41 HN LYS 41 12.716 -10.502 -0.976 286 HA LYS 41 HA LYS 41 13.383 -10.898 1.866 287 HB2 LYS 41 HB2 LYS 41 15.314 -10.167 0.374 288 HB3 LYS 41 HB1 LYS 41 14.502 -8.618 0.227 289 HG2 LYS 41 HG2 LYS 41 14.956 -9.720 2.943 290 HG3 LYS 41 HG1 LYS 41 16.329 -9.068 2.064 291 HD2 LYS 41 HD2 LYS 41 13.892 -7.673 3.086 292 HD3 LYS 41 HD1 LYS 41 15.592 -7.229 3.253 293 HE2 LYS 41 HE2 LYS 41 15.582 -6.767 0.767 294 HE3 LYS 41 HE1 LYS 41 13.830 -6.925 0.834 295 HZ1 LYS 41 HZ1 LYS 41 14.375 -4.635 1.038 296 HZ2 LYS 41 HZ2 LYS 41 15.501 -4.934 2.264 297 HZ3 LYS 41 HZ3 LYS 41 13.852 -5.158 2.560 298 H TRP 42 HN TRP 42 12.678 -9.170 3.297 299 HA TRP 42 HA TRP 42 10.469 -7.624 2.118 300 HB2 TRP 42 HB2 TRP 42 10.431 -9.545 4.325 301 HB3 TRP 42 HB1 TRP 42 9.636 -8.016 4.677 302 HD1 TRP 42 HD1 TRP 42 8.848 -8.045 1.290 303 HE1 TRP 42 HE1 TRP 42 6.665 -9.270 0.747 304 HE3 TRP 42 HE3 TRP 42 8.324 -10.758 5.599 305 HZ2 TRP 42 HZ2 TRP 42 4.943 -11.109 1.955 306 HZ3 TRP 42 HZ3 TRP 42 6.363 -12.231 5.821 307 HH2 TRP 42 HH2 TRP 42 4.707 -12.406 4.034 308 HA PRO 43 HA PRO 43 12.852 -4.336 4.245 309 HB2 PRO 43 HB2 PRO 43 11.619 -2.354 2.780 310 HB3 PRO 43 HB1 PRO 43 13.086 -3.187 2.256 311 HG2 PRO 43 HG2 PRO 43 10.243 -3.677 1.466 312 HG3 PRO 43 HG1 PRO 43 11.702 -3.662 0.456 313 HD2 PRO 43 HD2 PRO 43 10.568 -5.965 1.262 314 HD3 PRO 43 HD1 PRO 43 12.339 -5.798 1.113 315 H GLU 44 HN GLU 44 12.011 -2.711 5.755 316 HA GLU 44 HA GLU 44 9.368 -3.403 6.699 317 HB2 GLU 44 HB2 GLU 44 11.267 -3.231 8.257 318 HB3 GLU 44 HB1 GLU 44 11.359 -1.519 7.886 319 HG2 GLU 44 HG2 GLU 44 8.882 -1.480 8.600 320 HG3 GLU 44 HG1 GLU 44 9.270 -3.003 9.396 321 H LEU 45 HN LEU 45 7.579 -2.226 6.522 322 HA LEU 45 HA LEU 45 7.743 0.307 5.102 323 HB2 LEU 45 HB2 LEU 45 5.366 0.157 4.760 324 HB3 LEU 45 HB1 LEU 45 6.150 -1.317 4.247 325 HG LEU 45 HG LEU 45 4.162 -2.014 5.228 326 HD11 LEU 45 HD11 LEU 45 6.191 -2.250 7.430 327 HD12 LEU 45 HD12 LEU 45 5.995 -3.339 6.053 328 HD13 LEU 45 HD13 LEU 45 4.714 -3.211 7.262 329 HD21 LEU 45 HD21 LEU 45 4.500 0.302 6.943 330 HD22 LEU 45 HD22 LEU 45 3.888 -1.118 7.789 331 HD23 LEU 45 HD23 LEU 45 3.033 -0.500 6.373 332 HA PRO 46 HA PRO 46 7.057 2.843 8.613 333 HB2 PRO 46 HB2 PRO 46 5.946 5.020 7.454 334 HB3 PRO 46 HB1 PRO 46 7.648 4.591 7.254 335 HG2 PRO 46 HG2 PRO 46 5.353 4.146 5.394 336 HG3 PRO 46 HG1 PRO 46 7.010 4.643 5.024 337 HD2 PRO 46 HD2 PRO 46 6.080 2.097 4.718 338 HD3 PRO 46 HD1 PRO 46 7.781 2.496 5.025 339 H VAL 47 HN VAL 47 4.237 3.842 6.698 340 HA VAL 47 HA VAL 47 2.570 3.745 9.022 341 HB VAL 47 HB VAL 47 2.268 5.415 7.159 342 HG11 VAL 47 HG11 VAL 47 1.052 3.055 5.750 343 HG12 VAL 47 HG12 VAL 47 2.531 3.903 5.275 344 HG13 VAL 47 HG13 VAL 47 0.973 4.731 5.211 345 HG21 VAL 47 HG21 VAL 47 0.554 4.984 8.878 346 HG22 VAL 47 HG22 VAL 47 -0.169 3.774 7.816 347 HG23 VAL 47 HG23 VAL 47 -0.135 5.470 7.329 348 H LYS 48 HN LYS 48 1.133 2.251 9.645 349 HA LYS 48 HA LYS 48 0.818 -0.119 7.932 350 HB2 LYS 48 HB2 LYS 48 0.591 -0.215 10.924 351 HB3 LYS 48 HB1 LYS 48 0.874 -1.537 9.801 352 HG2 LYS 48 HG2 LYS 48 3.033 -1.376 10.250 353 HG3 LYS 48 HG1 LYS 48 3.037 0.209 9.474 354 HD2 LYS 48 HD2 LYS 48 2.451 -0.329 12.387 355 HD3 LYS 48 HD1 LYS 48 3.967 0.307 11.742 356 HE2 LYS 48 HE2 LYS 48 2.744 2.254 10.859 357 HE3 LYS 48 HE1 LYS 48 1.255 1.626 11.570 358 HZ1 LYS 48 HZ1 LYS 48 2.350 3.335 12.942 359 HZ2 LYS 48 HZ2 LYS 48 3.693 2.323 13.119 360 HZ3 LYS 48 HZ3 LYS 48 2.193 1.856 13.749 361 H GLU 49 HN GLU 49 -0.734 2.512 9.074 362 HA GLU 49 HA GLU 49 -3.333 1.467 8.483 363 HB2 GLU 49 HB2 GLU 49 -2.997 0.594 10.775 364 HB3 GLU 49 HB1 GLU 49 -2.815 2.243 11.345 365 HG2 GLU 49 HG2 GLU 49 -5.080 2.761 10.689 366 HG3 GLU 49 HG1 GLU 49 -5.275 1.145 10.013 367 H ALA 50 HN ALA 50 -4.499 3.080 7.744 368 HA ALA 50 HA ALA 50 -3.734 5.853 8.161 369 HB1 ALA 50 HB1 ALA 50 -4.188 5.682 5.932 370 HB2 ALA 50 HB2 ALA 50 -5.817 6.053 6.498 371 HB3 ALA 50 HB3 ALA 50 -5.359 4.382 6.160 372 H GLY 51 HN GLY 51 -6.118 7.159 7.931 373 HA2 GLY 51 HA2 GLY 51 -7.176 6.892 10.564 374 HA3 GLY 51 HA1 GLY 51 -7.742 8.006 9.332 375 H GLY 52 HN GLY 52 -7.897 5.276 7.701 376 HA2 GLY 52 HA2 GLY 52 -10.242 4.064 8.891 377 HA3 GLY 52 HA1 GLY 52 -10.558 4.969 7.422 378 H PHE 53 HN PHE 53 -7.544 3.981 7.047 379 HA PHE 53 HA PHE 53 -8.242 1.377 5.864 380 HB2 PHE 53 HB2 PHE 53 -6.785 3.687 4.688 381 HB3 PHE 53 HB1 PHE 53 -6.100 2.103 4.391 382 HD1 PHE 53 HD1 PHE 53 -9.622 3.355 4.493 383 HD2 PHE 53 HD2 PHE 53 -6.554 1.444 2.264 384 HE1 PHE 53 HE1 PHE 53 -11.190 3.010 2.639 385 HE2 PHE 53 HE2 PHE 53 -8.120 1.087 0.404 386 HZ PHE 53 HZ PHE 53 -10.445 1.874 0.591 387 H CYS 54 HN CYS 54 -6.251 -0.013 5.602 388 HA CYS 54 HA CYS 54 -4.333 0.527 7.747 389 HB2 CYS 54 HB2 CYS 54 -6.145 -1.623 7.561 390 HB3 CYS 54 HB1 CYS 54 -4.537 -2.270 7.299 391 H ILE 55 HN ILE 55 -2.226 0.106 7.292 392 HA ILE 55 HA ILE 55 -1.700 -0.569 4.487 393 HB ILE 55 HB ILE 55 -0.152 1.319 6.245 394 HG12 ILE 55 HG12 ILE 55 -1.073 2.962 4.461 395 HG13 ILE 55 HG11 ILE 55 -2.253 1.701 4.144 396 HG21 ILE 55 HG21 ILE 55 0.859 1.962 4.000 397 HG22 ILE 55 HG22 ILE 55 0.193 0.444 3.394 398 HG23 ILE 55 HG23 ILE 55 1.376 0.428 4.703 399 HD11 ILE 55 HD11 ILE 55 -1.833 2.851 6.870 400 HD12 ILE 55 HD12 ILE 55 -3.188 1.888 6.274 401 HD13 ILE 55 HD13 ILE 55 -2.957 3.536 5.696 402 H ARG 56 HN ARG 56 0.187 -1.564 3.930 403 HA ARG 56 HA ARG 56 1.953 -2.678 5.913 404 HB2 ARG 56 HB2 ARG 56 -0.101 -4.314 4.510 405 HB3 ARG 56 HB1 ARG 56 1.507 -5.006 4.675 406 HG2 ARG 56 HG2 ARG 56 -0.130 -3.957 6.972 407 HG3 ARG 56 HG1 ARG 56 -0.055 -5.651 6.485 408 HD2 ARG 56 HD2 ARG 56 2.240 -5.803 7.023 409 HD3 ARG 56 HD1 ARG 56 2.404 -4.053 7.171 410 HE ARG 56 HE ARG 56 0.554 -5.270 9.031 411 HH11 ARG 56 HH11 ARG 56 3.838 -4.265 8.439 412 HH12 ARG 56 HH12 ARG 56 4.243 -4.151 10.120 413 HH21 ARG 56 HH21 ARG 56 1.079 -5.123 11.247 414 HH22 ARG 56 HH22 ARG 56 2.675 -4.638 11.715 415 H MET 57 HN MET 57 3.619 -4.143 4.687 416 HA MET 57 HA MET 57 4.659 -2.510 2.596 417 HB2 MET 57 HB2 MET 57 5.951 -3.878 4.377 418 HB3 MET 57 HB1 MET 57 5.732 -5.224 3.263 419 HG2 MET 57 HG2 MET 57 6.630 -3.205 1.633 420 HG3 MET 57 HG1 MET 57 7.544 -2.962 3.125 421 HE1 MET 57 HE1 MET 57 7.480 -6.821 0.651 422 HE2 MET 57 HE2 MET 57 6.378 -5.458 0.485 423 HE3 MET 57 HE3 MET 57 6.252 -6.535 1.879 424 H SER 58 HN SER 58 5.169 -3.211 0.432 425 HA SER 58 HA SER 58 3.132 -4.207 -1.047 426 HB2 SER 58 HB2 SER 58 5.014 -3.152 -2.120 427 HB3 SER 58 HB1 SER 58 6.097 -4.452 -1.596 428 HG SER 58 HG SER 58 5.529 -4.832 -3.718 429 H GLY 59 HN GLY 59 3.364 -6.317 -2.492 430 HA2 GLY 59 HA2 GLY 59 2.442 -8.451 -1.100 431 HA3 GLY 59 HA1 GLY 59 3.195 -8.588 -2.667 432 H GLN 60 HN GLN 60 4.038 -10.563 -2.364 433 HA GLN 60 HA GLN 60 5.407 -11.454 -0.069 434 HB2 GLN 60 HB2 GLN 60 6.308 -13.230 -1.654 435 HB3 GLN 60 HB1 GLN 60 4.570 -13.132 -1.470 436 HG2 GLN 60 HG2 GLN 60 4.492 -11.781 -3.560 437 HG3 GLN 60 HG1 GLN 60 6.216 -12.101 -3.757 438 HE21 GLN 60 HE21 GLN 60 3.954 -14.413 -2.444 439 HE22 GLN 60 HE22 GLN 60 4.014 -15.520 -3.767 440 H ALA 61 HN ALA 61 7.574 -11.878 0.256 441 HA ALA 61 HA ALA 61 9.320 -9.749 -0.276 442 HB1 ALA 61 HB1 ALA 61 10.058 -12.561 0.540 443 HB2 ALA 61 HB2 ALA 61 9.517 -11.298 1.647 444 HB3 ALA 61 HB3 ALA 61 11.027 -11.104 0.761 445 H LYS 62 HN LYS 62 8.594 -12.664 -1.950 446 HA LYS 62 HA LYS 62 10.847 -12.860 -3.562 447 HB2 LYS 62 HB2 LYS 62 8.387 -13.889 -4.657 448 HB3 LYS 62 HB1 LYS 62 9.842 -14.719 -4.191 449 HG2 LYS 62 HG2 LYS 62 8.054 -13.821 -2.052 450 HG3 LYS 62 HG1 LYS 62 7.528 -15.177 -3.038 451 HD2 LYS 62 HD2 LYS 62 10.204 -15.039 -1.668 452 HD3 LYS 62 HD1 LYS 62 8.777 -15.788 -0.951 453 HE2 LYS 62 HE2 LYS 62 10.081 -16.587 -3.552 454 HE3 LYS 62 HE1 LYS 62 10.218 -17.450 -2.021 455 HZ1 LYS 62 HZ1 LYS 62 7.840 -17.854 -2.072 456 HZ2 LYS 62 HZ2 LYS 62 8.570 -18.460 -3.473 457 HZ3 LYS 62 HZ3 LYS 62 7.699 -17.011 -3.533 458 H GLY 63 HN GLY 63 7.974 -10.976 -3.656 459 HA2 GLY 63 HA2 GLY 63 8.754 -9.818 -6.246 460 HA3 GLY 63 HA1 GLY 63 7.077 -10.173 -5.865 461 H ILE 64 HN ILE 64 9.844 -8.468 -4.440 462 HA ILE 64 HA ILE 64 7.931 -6.439 -3.546 463 HB ILE 64 HB ILE 64 10.507 -7.354 -2.325 464 HG12 ILE 64 HG12 ILE 64 8.881 -8.748 -1.559 465 HG13 ILE 64 HG11 ILE 64 8.775 -7.466 -0.359 466 HG21 ILE 64 HG21 ILE 64 10.693 -5.074 -1.952 467 HG22 ILE 64 HG22 ILE 64 9.873 -5.674 -0.506 468 HG23 ILE 64 HG23 ILE 64 8.948 -4.867 -1.776 469 HD11 ILE 64 HD11 ILE 64 6.937 -8.087 -2.640 470 HD12 ILE 64 HD12 ILE 64 6.965 -6.480 -1.892 471 HD13 ILE 64 HD13 ILE 64 6.573 -7.896 -0.917 472 H LEU 65 HN LEU 65 8.215 -4.421 -3.723 473 HA LEU 65 HA LEU 65 8.924 -3.180 -5.898 474 HB2 LEU 65 HB2 LEU 65 9.568 -1.238 -4.246 475 HB3 LEU 65 HB1 LEU 65 7.917 -1.789 -4.436 476 HG LEU 65 HG LEU 65 8.413 -3.329 -2.475 477 HD11 LEU 65 HD11 LEU 65 10.756 -1.453 -2.326 478 HD12 LEU 65 HD12 LEU 65 10.788 -3.217 -2.405 479 HD13 LEU 65 HD13 LEU 65 10.190 -2.409 -0.954 480 HD21 LEU 65 HD21 LEU 65 7.494 -1.803 -1.064 481 HD22 LEU 65 HD22 LEU 65 7.270 -0.921 -2.580 482 HD23 LEU 65 HD23 LEU 65 8.639 -0.539 -1.528 483 H GLU 66 HN GLU 66 10.606 -2.097 -6.835 484 HA GLU 66 HA GLU 66 13.236 -2.076 -5.623 485 HB2 GLU 66 HB2 GLU 66 12.625 -3.762 -8.049 486 HB3 GLU 66 HB1 GLU 66 14.245 -3.169 -7.706 487 HG2 GLU 66 HG2 GLU 66 13.887 -4.268 -5.385 488 HG3 GLU 66 HG1 GLU 66 12.606 -5.162 -6.206 489 H GLY 67 HN GLY 67 13.879 -0.062 -5.980 490 HA2 GLY 67 HA2 GLY 67 14.362 1.888 -7.139 491 HA3 GLY 67 HA1 GLY 67 13.828 1.087 -8.619 492 H LYS 68 HN LYS 68 11.526 0.520 -6.430 493 HA LYS 68 HA LYS 68 10.002 2.995 -6.788 494 HB2 LYS 68 HB2 LYS 68 8.330 2.033 -8.006 495 HB3 LYS 68 HB1 LYS 68 9.574 0.868 -8.454 496 HG2 LYS 68 HG2 LYS 68 8.859 -0.616 -6.667 497 HG3 LYS 68 HG1 LYS 68 7.635 0.549 -6.176 498 HD2 LYS 68 HD2 LYS 68 6.404 0.233 -8.179 499 HD3 LYS 68 HD1 LYS 68 7.725 -0.679 -8.920 500 HE2 LYS 68 HE2 LYS 68 7.451 -2.398 -7.150 501 HE3 LYS 68 HE1 LYS 68 6.038 -1.512 -6.561 502 HZ1 LYS 68 HZ1 LYS 68 5.418 -3.346 -8.025 503 HZ2 LYS 68 HZ2 LYS 68 6.325 -2.674 -9.285 504 HZ3 LYS 68 HZ3 LYS 68 4.966 -1.858 -8.693 505 H PHE 69 HN PHE 69 8.786 3.445 -4.938 506 HA PHE 69 HA PHE 69 8.607 1.252 -2.976 507 HB2 PHE 69 HB2 PHE 69 8.515 4.032 -1.954 508 HB3 PHE 69 HB1 PHE 69 9.257 2.592 -1.259 509 HD1 PHE 69 HD2 PHE 69 11.167 1.693 -3.175 510 HD2 PHE 69 HD1 PHE 69 10.078 5.675 -2.176 511 HE1 PHE 69 HE2 PHE 69 13.361 2.482 -3.952 512 HE2 PHE 69 HE1 PHE 69 12.268 6.477 -2.957 513 HZ PHE 69 HZ PHE 69 13.909 4.875 -3.849 514 H THR 70 HN THR 70 6.570 0.598 -2.634 515 HA THR 70 HA THR 70 4.423 2.593 -2.656 516 HB THR 70 HB THR 70 4.008 0.031 -4.177 517 HG1 THR 70 HG1 THR 70 4.550 1.231 -6.077 518 HG21 THR 70 HG21 THR 70 1.960 1.194 -3.693 519 HG22 THR 70 HG22 THR 70 2.340 1.579 -5.370 520 HG23 THR 70 HG23 THR 70 2.667 2.760 -4.105 521 H LEU 71 HN LEU 71 2.770 2.186 -1.309 522 HA LEU 71 HA LEU 71 2.676 -0.439 0.016 523 HB2 LEU 71 HB2 LEU 71 2.156 2.286 1.187 524 HB3 LEU 71 HB1 LEU 71 1.740 0.788 1.987 525 HG LEU 71 HG LEU 71 4.418 1.992 1.512 526 HD11 LEU 71 HD11 LEU 71 3.193 0.626 3.895 527 HD12 LEU 71 HD12 LEU 71 3.196 2.368 3.613 528 HD13 LEU 71 HD13 LEU 71 4.718 1.510 3.849 529 HD21 LEU 71 HD21 LEU 71 4.824 -0.159 0.618 530 HD22 LEU 71 HD22 LEU 71 3.837 -0.941 1.850 531 HD23 LEU 71 HD23 LEU 71 5.387 -0.221 2.288 532 H LYS 72 HN LYS 72 0.649 -1.348 0.323 533 HA LYS 72 HA LYS 72 -1.563 0.143 -0.932 534 HB2 LYS 72 HB2 LYS 72 -1.008 -1.924 -2.145 535 HB3 LYS 72 HB1 LYS 72 -1.235 -2.855 -0.669 536 HG2 LYS 72 HG2 LYS 72 -3.537 -2.555 -0.678 537 HG3 LYS 72 HG1 LYS 72 -3.450 -1.164 -1.757 538 HD2 LYS 72 HD2 LYS 72 -2.683 -3.950 -2.599 539 HD3 LYS 72 HD1 LYS 72 -4.314 -3.302 -2.783 540 HE2 LYS 72 HE2 LYS 72 -1.799 -2.145 -3.982 541 HE3 LYS 72 HE1 LYS 72 -3.027 -3.069 -4.847 542 HZ1 LYS 72 HZ1 LYS 72 -3.438 -0.444 -3.519 543 HZ2 LYS 72 HZ2 LYS 72 -4.636 -1.334 -4.314 544 HZ3 LYS 72 HZ3 LYS 72 -3.329 -0.708 -5.187 545 H ALA 73 HN ALA 73 -3.070 0.804 0.276 546 HA ALA 73 HA ALA 73 -3.321 -0.183 3.009 547 HB1 ALA 73 HB1 ALA 73 -3.062 2.204 2.694 548 HB2 ALA 73 HB2 ALA 73 -4.688 1.873 3.312 549 HB3 ALA 73 HB3 ALA 73 -4.439 2.238 1.599 550 H VAL 74 HN VAL 74 -5.323 -0.788 3.861 551 HA VAL 74 HA VAL 74 -7.454 -1.367 1.934 552 HB VAL 74 HB VAL 74 -6.174 -3.260 3.879 553 HG11 VAL 74 HG11 VAL 74 -8.141 -4.785 3.067 554 HG12 VAL 74 HG12 VAL 74 -8.969 -3.249 2.816 555 HG13 VAL 74 HG13 VAL 74 -8.383 -3.684 4.422 556 HG21 VAL 74 HG21 VAL 74 -5.507 -2.964 1.407 557 HG22 VAL 74 HG22 VAL 74 -7.016 -3.819 1.059 558 HG23 VAL 74 HG23 VAL 74 -5.759 -4.598 2.028 559 H ALA 75 HN ALA 75 -9.430 -0.875 2.623 560 HA ALA 75 HA ALA 75 -9.909 0.769 4.763 561 HB1 ALA 75 HB1 ALA 75 -12.323 0.005 4.519 562 HB2 ALA 75 HB2 ALA 75 -11.733 -1.080 3.255 563 HB3 ALA 75 HB3 ALA 75 -11.539 0.669 3.086 564 H LEU 76 HN LEU 76 -10.440 0.567 6.845 565 HA LEU 76 HA LEU 76 -9.855 -1.866 8.194 566 HB2 LEU 76 HB2 LEU 76 -11.192 0.629 9.245 567 HB3 LEU 76 HB1 LEU 76 -10.424 -0.624 10.209 568 HG LEU 76 HG LEU 76 -8.956 1.042 8.178 569 HD11 LEU 76 HD11 LEU 76 -8.015 2.272 10.091 570 HD12 LEU 76 HD12 LEU 76 -9.175 1.464 11.151 571 HD13 LEU 76 HD13 LEU 76 -9.745 2.546 9.878 572 HD21 LEU 76 HD21 LEU 76 -6.963 0.211 9.288 573 HD22 LEU 76 HD22 LEU 76 -7.956 -1.133 8.722 574 HD23 LEU 76 HD23 LEU 76 -7.956 -0.695 10.430 575 H ASP 77 HN ASP 77 -12.667 -0.111 7.182 576 HA ASP 77 HA ASP 77 -14.465 -2.233 8.114 577 HB2 ASP 77 HB2 ASP 77 -15.377 0.236 6.654 578 HB3 ASP 77 HB1 ASP 77 -16.260 -0.753 7.811 579 H ARG 78 HN ARG 78 -12.476 -2.447 5.923 580 HA ARG 78 HA ARG 78 -13.502 -2.255 3.389 581 HB2 ARG 78 HB2 ARG 78 -11.841 -3.787 2.711 582 HB3 ARG 78 HB1 ARG 78 -11.173 -2.822 4.009 583 HG2 ARG 78 HG2 ARG 78 -10.657 -4.664 5.117 584 HG3 ARG 78 HG1 ARG 78 -12.363 -5.138 5.143 585 HD2 ARG 78 HD2 ARG 78 -12.015 -5.912 2.763 586 HD3 ARG 78 HD1 ARG 78 -10.286 -5.745 3.068 587 HE ARG 78 HE ARG 78 -11.392 -7.311 5.109 588 HH11 ARG 78 HH11 ARG 78 -10.765 -7.484 1.685 589 HH12 ARG 78 HH12 ARG 78 -10.605 -9.209 1.673 590 HH21 ARG 78 HH21 ARG 78 -11.184 -9.582 5.100 591 HH22 ARG 78 HH22 ARG 78 -10.843 -10.400 3.612 592 H GLU 79 HN GLU 79 -14.342 -4.592 5.830 593 HA GLU 79 HA GLU 79 -15.414 -6.634 4.281 594 HB2 GLU 79 HB2 GLU 79 -16.799 -5.531 6.724 595 HB3 GLU 79 HB1 GLU 79 -16.773 -7.195 6.157 596 HG2 GLU 79 HG2 GLU 79 -14.425 -7.379 6.733 597 HG3 GLU 79 HG1 GLU 79 -14.404 -5.689 7.239 598 H ALA 80 HN ALA 80 -16.383 -3.438 4.873 599 HA ALA 80 HA ALA 80 -18.875 -3.686 3.375 600 HB1 ALA 80 HB1 ALA 80 -19.252 -1.356 4.333 601 HB2 ALA 80 HB2 ALA 80 -17.830 -1.659 5.342 602 HB3 ALA 80 HB3 ALA 80 -19.257 -2.694 5.483 603 H GLU 81 HN GLU 81 -15.685 -2.296 3.359 604 HA GLU 81 HA GLU 81 -16.282 -0.903 0.818 605 HB2 GLU 81 HB2 GLU 81 -14.036 -0.053 2.598 606 HB3 GLU 81 HB1 GLU 81 -14.936 0.876 1.407 607 HG2 GLU 81 HG2 GLU 81 -16.036 -0.049 4.049 608 HG3 GLU 81 HG1 GLU 81 -15.385 1.558 3.729 609 HA PRO 82 HA PRO 82 -13.172 -4.253 -0.112 610 HB2 PRO 82 HB2 PRO 82 -13.885 -4.228 -2.806 611 HB3 PRO 82 HB1 PRO 82 -14.497 -5.360 -1.599 612 HG2 PRO 82 HG2 PRO 82 -15.749 -2.894 -2.704 613 HG3 PRO 82 HG1 PRO 82 -16.510 -4.409 -2.189 614 HD2 PRO 82 HD2 PRO 82 -16.609 -2.165 -0.698 615 HD3 PRO 82 HD1 PRO 82 -16.546 -3.780 0.032 616 H ARG 83 HN ARG 83 -13.773 -1.046 -1.164 617 HA ARG 83 HA ARG 83 -11.853 -0.673 -3.133 618 HB2 ARG 83 HB2 ARG 83 -13.037 1.166 -1.099 619 HB3 ARG 83 HB1 ARG 83 -11.742 1.723 -2.148 620 HG2 ARG 83 HG2 ARG 83 -13.188 0.878 -4.073 621 HG3 ARG 83 HG1 ARG 83 -14.495 0.818 -2.888 622 HD2 ARG 83 HD2 ARG 83 -14.194 3.188 -2.414 623 HD3 ARG 83 HD1 ARG 83 -12.858 3.258 -3.562 624 HE ARG 83 HE ARG 83 -15.326 2.317 -4.699 625 HH11 ARG 83 HH11 ARG 83 -13.410 5.125 -3.930 626 HH12 ARG 83 HH12 ARG 83 -14.170 6.127 -5.122 627 HH21 ARG 83 HH21 ARG 83 -16.328 3.626 -6.270 628 HH22 ARG 83 HH22 ARG 83 -15.828 5.273 -6.453 629 H VAL 84 HN VAL 84 -9.782 -0.418 -3.211 630 HA VAL 84 HA VAL 84 -8.217 -0.373 -0.712 631 HB VAL 84 HB VAL 84 -6.757 -1.622 -2.867 632 HG11 VAL 84 HG11 VAL 84 -7.004 -1.772 -0.101 633 HG12 VAL 84 HG12 VAL 84 -5.884 -2.666 -1.130 634 HG13 VAL 84 HG13 VAL 84 -7.450 -3.370 -0.703 635 HG21 VAL 84 HG21 VAL 84 -9.117 -2.266 -3.538 636 HG22 VAL 84 HG22 VAL 84 -9.189 -3.166 -2.019 637 HG23 VAL 84 HG23 VAL 84 -7.998 -3.601 -3.245 638 H LEU 85 HN LEU 85 -6.044 0.634 -0.969 639 HA LEU 85 HA LEU 85 -5.800 2.266 -3.398 640 HB2 LEU 85 HB2 LEU 85 -6.906 3.563 -1.540 641 HB3 LEU 85 HB1 LEU 85 -5.406 3.434 -0.651 642 HG LEU 85 HG LEU 85 -4.334 4.550 -2.723 643 HD11 LEU 85 HD11 LEU 85 -5.964 6.125 -3.840 644 HD12 LEU 85 HD12 LEU 85 -7.261 5.106 -3.197 645 HD13 LEU 85 HD13 LEU 85 -6.067 4.428 -4.319 646 HD21 LEU 85 HD21 LEU 85 -4.365 5.719 -0.678 647 HD22 LEU 85 HD22 LEU 85 -6.112 5.953 -0.742 648 HD23 LEU 85 HD23 LEU 85 -5.064 6.820 -1.866 649 H ARG 86 HN ARG 86 -3.702 3.262 -3.636 650 HA ARG 86 HA ARG 86 -1.499 2.189 -2.078 651 HB2 ARG 86 HB2 ARG 86 -0.777 0.671 -3.565 652 HB3 ARG 86 HB1 ARG 86 -2.222 0.932 -4.502 653 HG2 ARG 86 HG2 ARG 86 -1.117 2.615 -5.822 654 HG3 ARG 86 HG1 ARG 86 0.326 2.486 -4.818 655 HD2 ARG 86 HD2 ARG 86 0.617 0.165 -5.514 656 HD3 ARG 86 HD1 ARG 86 -0.846 0.265 -6.491 657 HE ARG 86 HE ARG 86 0.969 2.280 -7.268 658 HH11 ARG 86 HH11 ARG 86 0.501 -1.170 -7.445 659 HH12 ARG 86 HH12 ARG 86 1.395 -1.344 -8.917 660 HH21 ARG 86 HH21 ARG 86 2.146 2.058 -9.209 661 HH22 ARG 86 HH22 ARG 86 2.329 0.491 -9.921 662 H LEU 87 HN LEU 87 0.353 3.482 -2.224 663 HA LEU 87 HA LEU 87 0.384 5.654 -4.151 664 HB2 LEU 87 HB2 LEU 87 -0.918 6.444 -2.121 665 HB3 LEU 87 HB1 LEU 87 0.561 6.253 -1.210 666 HG LEU 87 HG LEU 87 1.616 8.053 -2.232 667 HD11 LEU 87 HD11 LEU 87 -0.314 7.554 -4.441 668 HD12 LEU 87 HD12 LEU 87 1.428 7.821 -4.504 669 HD13 LEU 87 HD13 LEU 87 0.334 9.179 -4.230 670 HD21 LEU 87 HD21 LEU 87 0.092 9.897 -1.959 671 HD22 LEU 87 HD22 LEU 87 -0.252 8.675 -0.732 672 HD23 LEU 87 HD23 LEU 87 -1.296 8.825 -2.147 673 H ASN 88 HN ASN 88 2.369 5.903 -4.878 674 HA ASN 88 HA ASN 88 4.534 4.626 -3.373 675 HB2 ASN 88 HB2 ASN 88 5.764 5.037 -5.643 676 HB3 ASN 88 HB1 ASN 88 4.588 3.736 -5.501 677 HD21 ASN 88 HD21 ASN 88 5.097 7.007 -6.641 678 HD22 ASN 88 HD22 ASN 88 3.833 6.994 -7.819 679 H GLU 89 HN GLU 89 6.779 5.702 -3.951 680 HA GLU 89 HA GLU 89 6.936 8.105 -2.515 681 HB2 GLU 89 HB2 GLU 89 9.228 8.020 -2.883 682 HB3 GLU 89 HB1 GLU 89 8.743 6.339 -3.009 683 HG2 GLU 89 HG2 GLU 89 9.090 8.119 -5.404 684 HG3 GLU 89 HG1 GLU 89 10.390 7.144 -4.724 685 H SER 90 HN SER 90 6.276 7.491 -5.840 686 HA SER 90 HA SER 90 6.997 10.159 -6.729 687 HB2 SER 90 HB2 SER 90 5.598 7.918 -8.213 688 HB3 SER 90 HB1 SER 90 6.152 9.428 -8.932 689 HG SER 90 HG SER 90 8.292 8.732 -8.029 690 H LEU 91 HN LEU 91 4.775 9.133 -4.818 691 HA LEU 91 HA LEU 91 2.761 9.803 -4.120 692 HB2 LEU 91 HB2 LEU 91 3.672 12.150 -5.697 693 HB3 LEU 91 HB1 LEU 91 2.146 12.166 -4.832 694 HG LEU 91 HG LEU 91 4.610 12.884 -3.832 695 HD11 LEU 91 HD11 LEU 91 3.461 13.262 -1.786 696 HD12 LEU 91 HD12 LEU 91 2.247 12.047 -2.185 697 HD13 LEU 91 HD13 LEU 91 2.321 13.554 -3.100 698 HD21 LEU 91 HD21 LEU 91 3.864 10.263 -2.559 699 HD22 LEU 91 HD22 LEU 91 5.174 11.338 -2.072 700 HD23 LEU 91 HD23 LEU 91 5.248 10.507 -3.626 701 H THR 92 HN THR 92 2.914 8.228 -6.561 702 HA THR 92 HA THR 92 0.485 9.085 -7.975 703 HB THR 92 HB THR 92 2.498 6.935 -8.646 704 HG1 THR 92 HG1 THR 92 2.379 9.562 -9.188 705 HG21 THR 92 HG21 THR 92 1.246 6.685 -10.759 706 HG22 THR 92 HG22 THR 92 0.019 7.790 -10.143 707 HG23 THR 92 HG23 THR 92 0.277 6.233 -9.355 708 H ALA 93 HN ALA 93 -1.359 8.292 -7.162 709 HA ALA 93 HA ALA 93 -1.233 5.732 -5.720 710 HB1 ALA 93 HB1 ALA 93 -2.975 6.415 -4.375 711 HB2 ALA 93 HB2 ALA 93 -3.570 7.576 -5.558 712 HB3 ALA 93 HB3 ALA 93 -2.103 7.928 -4.640 713 H VAL 94 HN VAL 94 -2.841 4.233 -5.896 714 HA VAL 94 HA VAL 94 -4.743 4.496 -8.091 715 HB VAL 94 HB VAL 94 -2.783 3.315 -9.077 716 HG11 VAL 94 HG11 VAL 94 -3.283 0.801 -7.671 717 HG12 VAL 94 HG12 VAL 94 -2.591 2.055 -6.643 718 HG13 VAL 94 HG13 VAL 94 -1.758 1.565 -8.118 719 HG21 VAL 94 HG21 VAL 94 -5.373 1.803 -8.743 720 HG22 VAL 94 HG22 VAL 94 -4.107 1.296 -9.865 721 HG23 VAL 94 HG23 VAL 94 -4.893 2.863 -10.073 722 H VAL 95 HN VAL 95 -6.609 3.776 -7.645 723 HA VAL 95 HA VAL 95 -7.004 2.328 -5.134 724 HB VAL 95 HB VAL 95 -8.084 4.443 -5.126 725 HG11 VAL 95 HG11 VAL 95 -7.951 4.788 -7.562 726 HG12 VAL 95 HG12 VAL 95 -9.553 5.185 -6.913 727 HG13 VAL 95 HG13 VAL 95 -9.307 3.666 -7.777 728 HG21 VAL 95 HG21 VAL 95 -9.418 2.514 -4.276 729 HG22 VAL 95 HG22 VAL 95 -10.206 2.422 -5.852 730 HG23 VAL 95 HG23 VAL 95 -10.405 3.859 -4.851 731 H CYS 96 HN CYS 96 -8.399 0.615 -5.008 732 HA CYS 96 HA CYS 96 -9.311 -0.565 -7.535 733 HB2 CYS 96 HB2 CYS 96 -8.081 -1.852 -5.104 734 HB3 CYS 96 HB1 CYS 96 -9.113 -2.770 -6.192 735 H GLY 97 HN GLY 97 -11.231 -1.869 -7.353 736 HA2 GLY 97 HA2 GLY 97 -13.002 -0.818 -5.255 737 HA3 GLY 97 HA1 GLY 97 -13.529 -1.296 -6.866 738 H LYS 98 HN LYS 98 -11.248 -3.401 -5.977 739 HA LYS 98 HA LYS 98 -12.906 -5.169 -4.396 740 HB2 LYS 98 HB2 LYS 98 -13.214 -5.364 -7.051 741 HB3 LYS 98 HB1 LYS 98 -11.797 -6.372 -6.868 742 HG2 LYS 98 HG2 LYS 98 -14.480 -6.730 -5.580 743 HG3 LYS 98 HG1 LYS 98 -13.727 -7.758 -6.802 744 HD2 LYS 98 HD2 LYS 98 -12.950 -9.014 -5.119 745 HD3 LYS 98 HD1 LYS 98 -11.896 -7.668 -4.690 746 HE2 LYS 98 HE2 LYS 98 -13.115 -8.304 -2.740 747 HE3 LYS 98 HE1 LYS 98 -13.736 -6.750 -3.300 748 HZ1 LYS 98 HZ1 LYS 98 -15.580 -7.929 -4.356 749 HZ2 LYS 98 HZ2 LYS 98 -15.541 -8.211 -2.690 750 HZ3 LYS 98 HZ3 LYS 98 -14.995 -9.401 -3.761 751 H MET 99 HN MET 99 -11.669 -6.115 -2.958 752 HA MET 99 HA MET 99 -8.823 -6.489 -3.597 753 HB2 MET 99 HB2 MET 99 -9.617 -4.827 -1.710 754 HB3 MET 99 HB1 MET 99 -9.765 -6.303 -0.773 755 HG2 MET 99 HG2 MET 99 -7.304 -6.477 -2.051 756 HG3 MET 99 HG1 MET 99 -7.417 -4.820 -1.467 757 HE1 MET 99 HE1 MET 99 -7.922 -8.556 1.118 758 HE2 MET 99 HE2 MET 99 -7.714 -8.530 -0.637 759 HE3 MET 99 HE3 MET 99 -9.194 -7.898 0.083 760 H LYS 100 HN LYS 100 -8.557 -8.522 -4.108 761 HA LYS 100 HA LYS 100 -10.162 -10.569 -2.787 762 HB2 LYS 100 HB2 LYS 100 -8.269 -10.824 -5.129 763 HB3 LYS 100 HB1 LYS 100 -9.370 -12.065 -4.543 764 HG2 LYS 100 HG2 LYS 100 -11.279 -10.685 -5.123 765 HG3 LYS 100 HG1 LYS 100 -10.201 -9.391 -5.651 766 HD2 LYS 100 HD2 LYS 100 -9.301 -10.852 -7.395 767 HD3 LYS 100 HD1 LYS 100 -10.372 -12.150 -6.862 768 HE2 LYS 100 HE2 LYS 100 -11.224 -9.470 -7.958 769 HE3 LYS 100 HE1 LYS 100 -11.287 -11.012 -8.814 770 HZ1 LYS 100 HZ1 LYS 100 -12.810 -10.327 -6.357 771 HZ2 LYS 100 HZ2 LYS 100 -12.862 -11.816 -7.158 772 HZ3 LYS 100 HZ3 LYS 100 -13.446 -10.425 -7.923 773 H GLY 101 HN GLY 101 -6.736 -10.486 -3.827 774 HA2 GLY 101 HA2 GLY 101 -6.053 -12.298 -1.655 775 HA3 GLY 101 HA1 GLY 101 -4.985 -11.763 -2.942 776 H LYS 102 HN LYS 102 -3.261 -11.068 -1.793 777 HA LYS 102 HA LYS 102 -1.954 -9.751 -0.497 778 HB2 LYS 102 HB2 LYS 102 -4.321 -7.894 -0.612 779 HB3 LYS 102 HB1 LYS 102 -2.668 -7.467 -0.234 780 HG2 LYS 102 HG2 LYS 102 -1.942 -7.726 -2.408 781 HG3 LYS 102 HG1 LYS 102 -3.308 -8.754 -2.840 782 HD2 LYS 102 HD2 LYS 102 -3.724 -5.895 -2.051 783 HD3 LYS 102 HD1 LYS 102 -3.251 -6.317 -3.700 784 HE2 LYS 102 HE2 LYS 102 -5.198 -7.828 -3.831 785 HE3 LYS 102 HE1 LYS 102 -5.676 -7.314 -2.214 786 HZ1 LYS 102 HZ1 LYS 102 -5.399 -5.488 -4.539 787 HZ2 LYS 102 HZ2 LYS 102 -5.993 -5.088 -3.007 788 HZ3 LYS 102 HZ3 LYS 102 -6.866 -6.140 -4.004 789 H GLY 103 HN GLY 103 -3.083 -7.807 1.479 790 HA2 GLY 103 HA2 GLY 103 -4.265 -9.637 3.456 791 HA3 GLY 103 HA1 GLY 103 -2.787 -8.775 3.862 792 H SER 104 HN SER 104 -5.491 -8.637 5.071 793 HA SER 104 HA SER 104 -5.820 -5.739 4.850 794 HB2 SER 104 HB2 SER 104 -8.113 -7.678 4.888 795 HB3 SER 104 HB1 SER 104 -8.214 -5.930 4.752 796 HG SER 104 HG SER 104 -8.402 -7.006 2.722 797 H CYS 105 HN CYS 105 -6.376 -4.686 6.700 798 HA CYS 105 HA CYS 105 -5.876 -5.882 9.185 799 HB2 CYS 105 HB2 CYS 105 -6.753 -3.263 8.248 800 HB3 CYS 105 HB1 CYS 105 -7.512 -3.709 9.767 801 H THR 106 HN THR 106 -7.771 -5.418 10.975 802 HA THR 106 HA THR 106 -9.534 -6.483 11.944 803 HB THR 106 HB THR 106 -10.722 -4.633 10.907 804 HG1 THR 106 HG1 THR 106 -12.278 -5.745 11.835 805 HG21 THR 106 HG21 THR 106 -11.929 -4.971 8.750 806 HG22 THR 106 HG22 THR 106 -11.007 -6.455 8.515 807 HG23 THR 106 HG23 THR 106 -10.174 -4.900 8.577 808 H ASP 107 HN ASP 107 -7.841 -8.045 9.986 809 HA ASP 107 HA ASP 107 -9.359 -10.478 10.121 810 HB2 ASP 107 HB2 ASP 107 -8.679 -9.248 7.446 811 HB3 ASP 107 HB1 ASP 107 -9.029 -10.961 7.650 812 H GLY 108 HN GLY 108 -6.496 -8.740 9.060 813 HA2 GLY 108 HA2 GLY 108 -4.456 -9.755 10.235 814 HA3 GLY 108 HA1 GLY 108 -4.904 -11.202 9.346 815 H GLU 109 HN GLU 109 -4.153 -7.758 8.817 816 HA GLU 109 HA GLU 109 -3.463 -8.123 6.074 817 HB2 GLU 109 HB2 GLU 109 -2.677 -5.833 6.146 818 HB3 GLU 109 HB1 GLU 109 -4.209 -5.952 6.998 819 HG2 GLU 109 HG2 GLU 109 -3.115 -5.871 9.118 820 HG3 GLU 109 HG1 GLU 109 -1.530 -5.975 8.355 821 H GLU 110 HN GLU 110 -1.375 -8.014 5.112 822 HA GLU 110 HA GLU 110 0.925 -8.233 6.844 823 HB2 GLU 110 HB2 GLU 110 1.700 -10.329 5.773 824 HB3 GLU 110 HB1 GLU 110 0.263 -10.525 6.768 825 HG2 GLU 110 HG2 GLU 110 -1.108 -10.394 4.738 826 HG3 GLU 110 HG1 GLU 110 0.370 -10.332 3.785 827 H ILE 111 HN ILE 111 -0.053 -8.708 3.443 828 HA ILE 111 HA ILE 111 1.741 -6.600 2.620 829 HB ILE 111 HB ILE 111 2.877 -8.059 0.925 830 HG12 ILE 111 HG12 ILE 111 3.067 -10.497 1.727 831 HG13 ILE 111 HG11 ILE 111 1.584 -10.179 2.622 832 HG21 ILE 111 HG21 ILE 111 3.840 -7.216 3.118 833 HG22 ILE 111 HG22 ILE 111 4.648 -8.594 2.365 834 HG23 ILE 111 HG23 ILE 111 3.562 -8.847 3.735 835 HD11 ILE 111 HD11 ILE 111 1.063 -11.229 0.554 836 HD12 ILE 111 HD12 ILE 111 1.988 -10.028 -0.347 837 HD13 ILE 111 HD13 ILE 111 0.506 -9.559 0.498 838 H PHE 112 HN PHE 112 1.846 -6.622 0.078 839 HA PHE 112 HA PHE 112 -0.936 -6.797 -0.848 840 HB2 PHE 112 HB2 PHE 112 -0.432 -4.556 -0.962 841 HB3 PHE 112 HB1 PHE 112 1.273 -4.835 -1.255 842 HD1 PHE 112 HD2 PHE 112 -1.507 -6.189 -3.306 843 HD2 PHE 112 HD1 PHE 112 1.608 -3.323 -2.999 844 HE1 PHE 112 HE2 PHE 112 -1.840 -5.595 -5.665 845 HE2 PHE 112 HE1 PHE 112 1.284 -2.718 -5.362 846 HZ PHE 112 HZ PHE 112 -0.440 -3.855 -6.699 847 H ARG 113 HN ARG 113 -0.375 -9.148 -1.258 848 HA ARG 113 HA ARG 113 0.654 -9.376 -3.990 849 HB2 ARG 113 HB2 ARG 113 1.954 -11.222 -3.535 850 HB3 ARG 113 HB1 ARG 113 2.136 -10.330 -2.042 851 HG2 ARG 113 HG2 ARG 113 0.295 -11.724 -1.087 852 HG3 ARG 113 HG1 ARG 113 0.400 -12.724 -2.542 853 HD2 ARG 113 HD2 ARG 113 2.775 -13.117 -2.047 854 HD3 ARG 113 HD1 ARG 113 2.599 -12.159 -0.578 855 HE ARG 113 HE ARG 113 0.854 -14.471 -0.867 856 HH11 ARG 113 HH11 ARG 113 3.720 -13.077 0.541 857 HH12 ARG 113 HH12 ARG 113 3.839 -14.265 1.795 858 HH21 ARG 113 HH21 ARG 113 1.001 -16.040 0.784 859 HH22 ARG 113 HH22 ARG 113 2.292 -15.949 1.934 860 H GLY 114 HN GLY 114 -0.815 -10.154 -5.368 861 HA2 GLY 114 HA2 GLY 114 -2.315 -12.357 -5.327 862 HA3 GLY 114 HA1 GLY 114 -3.258 -11.309 -4.280 863 H ASN 115 HN ASN 115 -4.993 -10.695 -5.394 864 HA ASN 115 HA ASN 115 -4.574 -9.373 -7.966 865 HB2 ASN 115 HB2 ASN 115 -6.468 -11.663 -7.469 866 HB3 ASN 115 HB1 ASN 115 -6.683 -10.541 -8.808 867 HD21 ASN 115 HD21 ASN 115 -3.873 -10.180 -9.301 868 HD22 ASN 115 HD22 ASN 115 -3.299 -11.641 -10.024 869 H ASP 116 HN ASP 116 -5.875 -7.679 -8.374 870 HA ASP 116 HA ASP 116 -8.086 -7.142 -6.513 871 HB2 ASP 116 HB2 ASP 116 -7.114 -4.633 -7.234 872 HB3 ASP 116 HB1 ASP 116 -6.933 -5.408 -5.666 873 H ALA 117 HN ALA 117 -9.826 -5.992 -7.377 874 HA ALA 117 HA ALA 117 -9.794 -5.684 -10.313 875 HB1 ALA 117 HB1 ALA 117 -12.026 -6.518 -10.449 876 HB2 ALA 117 HB2 ALA 117 -12.176 -6.573 -8.690 877 HB3 ALA 117 HB3 ALA 117 -11.080 -7.684 -9.522 878 H GLU 118 HN GLU 118 -11.580 -4.268 -11.105 879 HA GLU 118 HA GLU 118 -12.541 -2.208 -11.202 880 HB2 GLU 118 HB2 GLU 118 -12.987 -2.958 -8.313 881 HB3 GLU 118 HB1 GLU 118 -13.653 -1.492 -9.028 882 HG2 GLU 118 HG2 GLU 118 -14.199 -4.280 -10.009 883 HG3 GLU 118 HG1 GLU 118 -15.245 -3.370 -8.920 884 H CYS 119 HN CYS 119 -9.924 -1.768 -11.309 885 HA CYS 119 HA CYS 119 -9.442 0.250 -9.211 886 HB2 CYS 119 HB2 CYS 119 -7.165 -0.985 -10.696 887 HB3 CYS 119 HB1 CYS 119 -7.190 -0.247 -9.105 888 H ARG 120 HN ARG 120 -8.643 2.164 -9.684 889 HA ARG 120 HA ARG 120 -7.973 2.903 -12.413 890 HB2 ARG 120 HB2 ARG 120 -9.530 4.615 -12.518 891 HB3 ARG 120 HB1 ARG 120 -10.440 3.313 -11.772 892 HG2 ARG 120 HG2 ARG 120 -10.959 4.696 -10.142 893 HG3 ARG 120 HG1 ARG 120 -9.261 4.684 -9.667 894 HD2 ARG 120 HD2 ARG 120 -9.712 6.946 -9.955 895 HD3 ARG 120 HD1 ARG 120 -8.953 6.469 -11.476 896 HE ARG 120 HE ARG 120 -11.814 6.289 -11.539 897 HH11 ARG 120 HH11 ARG 120 -9.092 8.429 -11.928 898 HH12 ARG 120 HH12 ARG 120 -9.945 9.535 -12.951 899 HH21 ARG 120 HH21 ARG 120 -12.944 7.741 -12.887 900 HH22 ARG 120 HH22 ARG 120 -12.133 9.143 -13.499 901 HA PRO 121 HA PRO 121 -4.861 5.298 -10.390 902 HB2 PRO 121 HB2 PRO 121 -4.617 7.487 -11.916 903 HB3 PRO 121 HB1 PRO 121 -4.139 5.884 -12.497 904 HG2 PRO 121 HG2 PRO 121 -6.705 7.354 -12.972 905 HG3 PRO 121 HG1 PRO 121 -5.652 6.553 -14.154 906 HD2 PRO 121 HD2 PRO 121 -7.843 5.337 -13.197 907 HD3 PRO 121 HD1 PRO 121 -6.350 4.431 -13.518 908 H PHE 122 HN PHE 122 -5.022 6.333 -8.533 909 HA PHE 122 HA PHE 122 -7.090 8.397 -8.216 910 HB2 PHE 122 HB2 PHE 122 -6.526 6.100 -6.703 911 HB3 PHE 122 HB1 PHE 122 -5.956 7.445 -5.734 912 HD1 PHE 122 HD2 PHE 122 -8.857 7.636 -8.031 913 HD2 PHE 122 HD1 PHE 122 -7.514 7.311 -4.012 914 HE1 PHE 122 HE2 PHE 122 -11.143 8.087 -7.236 915 HE2 PHE 122 HE1 PHE 122 -9.788 7.751 -3.205 916 HZ PHE 122 HZ PHE 122 -11.614 8.146 -4.819 917 H THR 123 HN THR 123 -6.608 10.360 -7.320 918 HA THR 123 HA THR 123 -3.778 10.874 -6.695 919 HB THR 123 HB THR 123 -4.006 13.121 -7.709 920 HG1 THR 123 HG1 THR 123 -6.153 12.543 -9.272 921 HG21 THR 123 HG21 THR 123 -3.029 11.268 -8.974 922 HG22 THR 123 HG22 THR 123 -3.879 12.400 -10.025 923 HG23 THR 123 HG23 THR 123 -4.624 10.859 -9.601 924 H GLY 124 HN GLY 124 -3.794 11.149 -4.561 925 HA2 GLY 124 HA2 GLY 124 -5.966 12.230 -3.090 926 HA3 GLY 124 HA1 GLY 124 -4.352 11.916 -2.476
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