NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572480 | 2mgp | 19233 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 18.590 -4.194 -4.747 2 H2 GLY 1 HT2 GLY 1 19.591 -4.410 -3.394 3 H3 GLY 1 HT3 GLY 1 18.205 -3.435 -3.280 4 HA2 GLY 1 HA2 GLY 1 18.131 -6.334 -3.879 5 HA3 GLY 1 HA1 GLY 1 16.765 -5.286 -3.523 6 H VAL 2 HN VAL 2 16.021 -5.363 -1.519 7 HA VAL 2 HA VAL 2 17.466 -6.857 0.470 8 HB VAL 2 HB VAL 2 18.342 -4.435 0.584 9 HG11 VAL 2 HG11 VAL 2 15.584 -4.050 1.750 10 HG12 VAL 2 HG12 VAL 2 16.273 -3.237 0.341 11 HG13 VAL 2 HG13 VAL 2 16.923 -2.916 1.949 12 HG21 VAL 2 HG21 VAL 2 17.137 -5.664 3.057 13 HG22 VAL 2 HG22 VAL 2 18.476 -4.515 3.002 14 HG23 VAL 2 HG23 VAL 2 18.670 -6.131 2.322 15 H ASP 3 HN ASP 3 16.165 -7.055 2.486 16 HA ASP 3 HA ASP 3 13.474 -7.558 2.010 17 HB2 ASP 3 HB2 ASP 3 13.302 -7.647 4.543 18 HB3 ASP 3 HB1 ASP 3 14.462 -8.730 3.795 19 HA PRO 4 HA PRO 4 11.554 -3.786 1.285 20 HB2 PRO 4 HB2 PRO 4 9.255 -4.646 2.775 21 HB3 PRO 4 HB1 PRO 4 9.459 -4.457 1.040 22 HG2 PRO 4 HG2 PRO 4 9.639 -6.855 2.690 23 HG3 PRO 4 HG1 PRO 4 9.465 -6.719 0.935 24 HD2 PRO 4 HD2 PRO 4 11.709 -7.609 2.139 25 HD3 PRO 4 HD1 PRO 4 11.726 -6.735 0.601 26 H LYS 5 HN LYS 5 12.446 -4.390 4.501 27 HA LYS 5 HA LYS 5 10.793 -2.548 5.877 28 HB2 LYS 5 HB2 LYS 5 12.650 -2.607 7.614 29 HB3 LYS 5 HB1 LYS 5 11.857 -4.123 7.220 30 HG2 LYS 5 HG2 LYS 5 14.131 -4.633 7.350 31 HG3 LYS 5 HG1 LYS 5 13.781 -4.547 5.626 32 HD2 LYS 5 HD2 LYS 5 14.652 -2.211 5.636 33 HD3 LYS 5 HD1 LYS 5 15.134 -2.451 7.318 34 HE2 LYS 5 HE2 LYS 5 16.111 -3.975 4.906 35 HE3 LYS 5 HE1 LYS 5 17.034 -2.834 5.887 36 HZ1 LYS 5 HZ1 LYS 5 15.963 -5.459 6.781 37 HZ2 LYS 5 HZ2 LYS 5 16.775 -4.354 7.779 38 HZ3 LYS 5 HZ3 LYS 5 17.590 -5.087 6.484 39 H HIS 6 HN HIS 6 12.294 -1.458 3.426 40 HA HIS 6 HA HIS 6 14.356 0.283 4.014 41 HB2 HIS 6 HB2 HIS 6 12.181 1.049 2.084 42 HB3 HIS 6 HB1 HIS 6 13.886 1.452 2.013 43 HD1 HIS 6 HD1 HIS 6 11.531 -1.431 1.434 44 HD2 HIS 6 HD2 HIS 6 15.380 -0.238 0.523 45 HE1 HIS 6 HE1 HIS 6 12.347 -3.074 -0.266 46 HE2 HIS 6 HE2 HIS 6 14.761 -2.439 -0.696 47 H VAL 7 HN VAL 7 11.077 0.620 4.962 48 HA VAL 7 HA VAL 7 9.677 2.270 5.533 49 HB VAL 7 HB VAL 7 10.377 3.764 7.283 50 HG11 VAL 7 HG11 VAL 7 9.963 1.509 7.927 51 HG12 VAL 7 HG12 VAL 7 11.357 2.090 8.842 52 HG13 VAL 7 HG13 VAL 7 11.594 1.017 7.459 53 HG21 VAL 7 HG21 VAL 7 12.697 3.884 8.072 54 HG22 VAL 7 HG22 VAL 7 12.510 4.560 6.453 55 HG23 VAL 7 HG23 VAL 7 13.215 2.957 6.663 56 H CYS 8 HN CYS 8 10.317 5.127 5.984 57 HA CYS 8 HA CYS 8 10.825 6.045 3.263 58 HB2 CYS 8 HB2 CYS 8 8.554 5.225 3.095 59 HB3 CYS 8 HB1 CYS 8 8.088 6.132 4.517 60 H VAL 9 HN VAL 9 11.082 8.145 3.020 61 HA VAL 9 HA VAL 9 9.931 10.022 4.914 62 HB VAL 9 HB VAL 9 12.106 11.412 4.567 63 HG11 VAL 9 HG11 VAL 9 12.269 8.931 6.274 64 HG12 VAL 9 HG12 VAL 9 11.443 10.422 6.739 65 HG13 VAL 9 HG13 VAL 9 13.192 10.416 6.502 66 HG21 VAL 9 HG21 VAL 9 14.130 10.003 4.277 67 HG22 VAL 9 HG22 VAL 9 13.086 10.020 2.852 68 HG23 VAL 9 HG23 VAL 9 13.069 8.628 3.939 69 H ASP 10 HN ASP 10 8.465 10.720 3.413 70 HA ASP 10 HA ASP 10 9.498 11.552 0.809 71 HB2 ASP 10 HB2 ASP 10 8.532 9.414 0.447 72 HB3 ASP 10 HB1 ASP 10 7.109 9.822 1.384 73 H THR 11 HN THR 11 8.097 13.040 -0.350 74 HA THR 11 HA THR 11 6.759 14.900 -0.523 75 HB THR 11 HB THR 11 5.251 12.435 0.098 76 HG1 THR 11 HG1 THR 11 5.939 12.394 -1.919 77 HG21 THR 11 HG21 THR 11 3.728 14.031 0.969 78 HG22 THR 11 HG22 THR 11 3.145 13.555 -0.630 79 HG23 THR 11 HG23 THR 11 3.964 15.108 -0.412 80 H ARG 12 HN ARG 12 7.033 16.513 0.755 81 HA ARG 12 HA ARG 12 6.470 17.767 2.755 82 HB2 ARG 12 HB2 ARG 12 4.346 18.154 0.717 83 HB3 ARG 12 HB1 ARG 12 4.941 19.343 1.843 84 HG2 ARG 12 HG2 ARG 12 5.919 19.979 -0.132 85 HG3 ARG 12 HG1 ARG 12 7.188 19.008 0.618 86 HD2 ARG 12 HD2 ARG 12 6.810 18.557 -1.811 87 HD3 ARG 12 HD1 ARG 12 6.709 17.159 -0.754 88 HE ARG 12 HE ARG 12 4.152 18.355 -1.256 89 HH11 ARG 12 HH11 ARG 12 6.576 16.196 -2.585 90 HH12 ARG 12 HH12 ARG 12 5.422 15.244 -3.467 91 HH21 ARG 12 HH21 ARG 12 2.626 17.079 -2.412 92 HH22 ARG 12 HH22 ARG 12 3.186 15.736 -3.364 93 H ASP 13 HN ASP 13 3.458 16.580 1.347 94 HA ASP 13 HA ASP 13 2.406 16.007 4.027 95 HB2 ASP 13 HB2 ASP 13 1.493 18.152 3.552 96 HB3 ASP 13 HB1 ASP 13 1.156 17.725 1.881 97 H ILE 14 HN ILE 14 2.402 13.837 3.812 98 HA ILE 14 HA ILE 14 1.186 12.609 1.476 99 HB ILE 14 HB ILE 14 2.363 11.387 3.981 100 HG12 ILE 14 HG12 ILE 14 3.514 10.847 1.333 101 HG13 ILE 14 HG11 ILE 14 3.610 12.532 1.835 102 HG21 ILE 14 HG21 ILE 14 0.600 9.943 3.130 103 HG22 ILE 14 HG22 ILE 14 2.190 9.230 2.816 104 HG23 ILE 14 HG23 ILE 14 1.301 10.023 1.513 105 HD11 ILE 14 HD11 ILE 14 5.594 11.232 2.411 106 HD12 ILE 14 HD12 ILE 14 4.596 10.198 3.441 107 HD13 ILE 14 HD13 ILE 14 4.786 11.914 3.822 108 HA PRO 15 HA PRO 15 -2.911 12.841 2.831 109 HB2 PRO 15 HB2 PRO 15 -3.009 10.086 1.664 110 HB3 PRO 15 HB1 PRO 15 -4.085 11.457 1.385 111 HG2 PRO 15 HG2 PRO 15 -2.316 10.932 -0.453 112 HG3 PRO 15 HG1 PRO 15 -2.445 12.609 0.115 113 HD2 PRO 15 HD2 PRO 15 -0.496 10.489 0.937 114 HD3 PRO 15 HD1 PRO 15 -0.162 12.150 0.426 115 H LYS 16 HN LYS 16 -4.247 12.194 4.452 116 HA LYS 16 HA LYS 16 -3.112 10.868 6.649 117 HB2 LYS 16 HB2 LYS 16 -4.729 12.702 6.744 118 HB3 LYS 16 HB1 LYS 16 -5.962 11.637 6.103 119 HG2 LYS 16 HG2 LYS 16 -5.565 10.178 8.116 120 HG3 LYS 16 HG1 LYS 16 -4.609 11.513 8.770 121 HD2 LYS 16 HD2 LYS 16 -6.552 12.997 8.495 122 HD3 LYS 16 HD1 LYS 16 -7.495 11.620 7.924 123 HE2 LYS 16 HE2 LYS 16 -8.008 11.967 10.240 124 HE3 LYS 16 HE1 LYS 16 -7.044 10.496 10.105 125 HZ1 LYS 16 HZ1 LYS 16 -5.991 13.168 10.869 126 HZ2 LYS 16 HZ2 LYS 16 -5.097 11.732 10.798 127 HZ3 LYS 16 HZ3 LYS 16 -6.332 11.909 11.949 128 H ASN 17 HN ASN 17 -5.240 9.879 4.106 129 HA ASN 17 HA ASN 17 -5.658 7.277 5.391 130 HB2 ASN 17 HB2 ASN 17 -6.821 8.463 2.853 131 HB3 ASN 17 HB1 ASN 17 -7.209 6.868 3.476 132 HD21 ASN 17 HD21 ASN 17 -6.715 9.627 5.531 133 HD22 ASN 17 HD22 ASN 17 -8.350 9.802 6.025 134 H ALA 18 HN ALA 18 -3.098 8.223 4.484 135 HA ALA 18 HA ALA 18 -2.504 6.215 2.440 136 HB1 ALA 18 HB1 ALA 18 -1.588 9.088 2.306 137 HB2 ALA 18 HB2 ALA 18 -2.792 8.337 1.255 138 HB3 ALA 18 HB3 ALA 18 -1.115 7.790 1.203 139 H GLY 19 HN GLY 19 -0.174 5.985 2.175 140 HA2 GLY 19 HA2 GLY 19 1.471 6.905 4.411 141 HA3 GLY 19 HA1 GLY 19 1.341 5.164 4.157 142 H CYS 20 HN CYS 20 3.711 6.859 3.961 143 HA CYS 20 HA CYS 20 4.218 6.707 1.071 144 HB2 CYS 20 HB2 CYS 20 5.750 8.440 1.270 145 HB3 CYS 20 HB1 CYS 20 4.527 8.896 2.445 146 H PHE 21 HN PHE 21 6.040 5.743 0.320 147 HA PHE 21 HA PHE 21 7.762 4.527 2.307 148 HB2 PHE 21 HB2 PHE 21 6.072 2.850 1.705 149 HB3 PHE 21 HB1 PHE 21 6.632 2.926 0.032 150 HD1 PHE 21 HD1 PHE 21 8.865 2.101 -0.557 151 HD2 PHE 21 HD2 PHE 21 7.341 1.782 3.402 152 HE1 PHE 21 HE1 PHE 21 10.636 0.490 0.009 153 HE2 PHE 21 HE2 PHE 21 9.111 0.175 3.960 154 HZ PHE 21 HZ PHE 21 10.763 -0.463 2.250 155 H ARG 22 HN ARG 22 9.804 4.479 1.808 156 HA ARG 22 HA ARG 22 10.615 5.558 -0.794 157 HB2 ARG 22 HB2 ARG 22 11.216 7.032 0.980 158 HB3 ARG 22 HB1 ARG 22 11.812 5.713 1.959 159 HG2 ARG 22 HG2 ARG 22 13.688 5.418 0.564 160 HG3 ARG 22 HG1 ARG 22 13.067 6.574 -0.606 161 HD2 ARG 22 HD2 ARG 22 13.087 7.926 1.817 162 HD3 ARG 22 HD1 ARG 22 14.595 7.005 1.797 163 HE ARG 22 HE ARG 22 13.944 8.424 -0.627 164 HH11 ARG 22 HH11 ARG 22 15.714 8.436 2.406 165 HH12 ARG 22 HH12 ARG 22 16.795 9.709 1.922 166 HH21 ARG 22 HH21 ARG 22 15.351 10.125 -1.249 167 HH22 ARG 22 HH22 ARG 22 16.608 10.645 -0.170 168 H ASP 23 HN ASP 23 11.499 4.077 -2.128 169 HA ASP 23 HA ASP 23 11.598 1.417 -0.993 170 HB2 ASP 23 HB2 ASP 23 11.383 0.540 -3.184 171 HB3 ASP 23 HB1 ASP 23 10.254 1.879 -3.018 172 H ASP 24 HN ASP 24 13.073 0.089 -2.937 173 HA ASP 24 HA ASP 24 15.558 0.063 -1.579 174 HB2 ASP 24 HB2 ASP 24 14.258 -1.835 -2.801 175 HB3 ASP 24 HB1 ASP 24 15.120 -1.263 -4.222 176 H ASP 25 HN ASP 25 14.482 1.352 -4.660 177 HA ASP 25 HA ASP 25 17.149 1.791 -5.652 178 HB2 ASP 25 HB2 ASP 25 15.188 1.328 -7.138 179 HB3 ASP 25 HB1 ASP 25 14.533 2.904 -6.701 180 H GLY 26 HN GLY 26 15.044 3.426 -3.570 181 HA2 GLY 26 HA2 GLY 26 15.914 5.288 -2.285 182 HA3 GLY 26 HA1 GLY 26 16.730 5.844 -3.742 183 H THR 27 HN THR 27 13.755 4.667 -4.507 184 HA THR 27 HA THR 27 12.675 7.135 -5.340 185 HB THR 27 HB THR 27 11.148 4.624 -4.761 186 HG1 THR 27 HG1 THR 27 12.437 3.669 -6.123 187 HG21 THR 27 HG21 THR 27 9.821 6.560 -5.452 188 HG22 THR 27 HG22 THR 27 9.779 5.285 -6.668 189 HG23 THR 27 HG23 THR 27 10.794 6.707 -6.917 190 H GLU 28 HN GLU 28 10.955 8.337 -4.461 191 HA GLU 28 HA GLU 28 10.000 7.484 -1.819 192 HB2 GLU 28 HB2 GLU 28 10.658 10.275 -2.756 193 HB3 GLU 28 HB1 GLU 28 9.802 9.916 -1.260 194 HG2 GLU 28 HG2 GLU 28 11.657 8.994 -0.254 195 HG3 GLU 28 HG1 GLU 28 12.430 8.623 -1.786 196 H GLU 29 HN GLU 29 8.004 6.951 -1.915 197 HA GLU 29 HA GLU 29 6.151 8.369 -3.696 198 HB2 GLU 29 HB2 GLU 29 7.021 6.316 -4.829 199 HB3 GLU 29 HB1 GLU 29 6.389 5.366 -3.491 200 HG2 GLU 29 HG2 GLU 29 4.882 5.258 -5.364 201 HG3 GLU 29 HG1 GLU 29 4.127 6.121 -4.030 202 H TRP 30 HN TRP 30 3.929 8.040 -3.091 203 HA TRP 30 HA TRP 30 3.541 6.581 -0.598 204 HB2 TRP 30 HB2 TRP 30 1.959 8.250 0.242 205 HB3 TRP 30 HB1 TRP 30 3.566 8.933 0.049 206 HD1 TRP 30 HD TRP 30 3.750 11.078 -1.339 207 HE1 TRP 30 HE1 TRP 30 2.116 12.504 -2.723 208 HE3 TRP 30 HE3 TRP 30 -0.210 7.889 -1.339 209 HZ2 TRP 30 HZ2 TRP 30 -0.538 12.288 -3.687 210 HZ3 TRP 30 HZ3 TRP 30 -2.275 8.579 -2.510 211 HH2 TRP 30 HH TRP 30 -2.419 10.730 -3.654 212 H ARG 31 HN ARG 31 1.416 5.806 -0.301 213 HA ARG 31 HA ARG 31 -0.187 5.605 -2.738 214 HB2 ARG 31 HB2 ARG 31 0.831 3.260 -1.147 215 HB3 ARG 31 HB1 ARG 31 -0.464 3.148 -2.324 216 HG2 ARG 31 HG2 ARG 31 1.320 4.147 -3.955 217 HG3 ARG 31 HG1 ARG 31 2.457 3.547 -2.745 218 HD2 ARG 31 HD2 ARG 31 1.216 1.333 -2.899 219 HD3 ARG 31 HD1 ARG 31 0.447 1.984 -4.343 220 HE ARG 31 HE ARG 31 3.363 1.625 -4.073 221 HH11 ARG 31 HH11 ARG 31 0.456 1.656 -6.008 222 HH12 ARG 31 HH12 ARG 31 1.201 0.883 -7.373 223 HH21 ARG 31 HH21 ARG 31 4.355 0.604 -5.871 224 HH22 ARG 31 HH22 ARG 31 3.407 0.301 -7.299 225 H CYS 32 HN CYS 32 -2.146 4.012 -1.969 226 HA CYS 32 HA CYS 32 -3.228 5.476 0.344 227 HB2 CYS 32 HB2 CYS 32 -4.680 4.275 -2.045 228 HB3 CYS 32 HB1 CYS 32 -5.452 5.127 -0.714 229 H LEU 33 HN LEU 33 -3.888 4.361 1.988 230 HA LEU 33 HA LEU 33 -2.977 1.793 2.422 231 HB2 LEU 33 HB2 LEU 33 -5.206 3.173 3.861 232 HB3 LEU 33 HB1 LEU 33 -4.233 1.883 4.502 233 HG LEU 33 HG LEU 33 -3.626 4.782 4.196 234 HD11 LEU 33 HD11 LEU 33 -2.685 4.465 6.423 235 HD12 LEU 33 HD12 LEU 33 -3.020 2.734 6.318 236 HD13 LEU 33 HD13 LEU 33 -4.352 3.895 6.331 237 HD21 LEU 33 HD21 LEU 33 -1.277 4.505 4.309 238 HD22 LEU 33 HD22 LEU 33 -1.843 3.573 2.920 239 HD23 LEU 33 HD23 LEU 33 -1.417 2.746 4.421 240 H LEU 34 HN LEU 34 -4.226 -0.102 3.005 241 HA LEU 34 HA LEU 34 -5.664 -0.956 0.794 242 HB2 LEU 34 HB2 LEU 34 -5.386 -2.249 3.494 243 HB3 LEU 34 HB1 LEU 34 -5.826 -3.056 1.996 244 HG LEU 34 HG LEU 34 -3.191 -1.684 2.513 245 HD11 LEU 34 HD11 LEU 34 -2.283 -3.988 2.429 246 HD12 LEU 34 HD12 LEU 34 -3.938 -4.600 2.470 247 HD13 LEU 34 HD13 LEU 34 -3.304 -3.668 3.831 248 HD21 LEU 34 HD21 LEU 34 -4.106 -3.359 0.181 249 HD22 LEU 34 HD22 LEU 34 -2.512 -2.635 0.389 250 HD23 LEU 34 HD23 LEU 34 -3.931 -1.603 0.178 251 H GLY 35 HN GLY 35 -7.726 -0.950 0.315 252 HA2 GLY 35 HA2 GLY 35 -10.039 -0.978 0.723 253 HA3 GLY 35 HA1 GLY 35 -9.719 -0.653 2.423 254 H TYR 36 HN TYR 36 -7.924 1.287 0.296 255 HA TYR 36 HA TYR 36 -9.879 3.478 0.392 256 HB2 TYR 36 HB2 TYR 36 -6.882 3.687 0.802 257 HB3 TYR 36 HB1 TYR 36 -8.008 5.022 0.752 258 HD1 TYR 36 HD1 TYR 36 -6.469 5.268 2.906 259 HD2 TYR 36 HD2 TYR 36 -9.659 2.533 2.502 260 HE1 TYR 36 HE1 TYR 36 -6.697 5.156 5.343 261 HE2 TYR 36 HE2 TYR 36 -9.906 2.390 4.916 262 HH TYR 36 HH TYR 36 -8.358 4.600 7.030 263 H LYS 37 HN LYS 37 -9.357 5.171 -1.251 264 HA LYS 37 HA LYS 37 -7.836 4.155 -3.505 265 HB2 LYS 37 HB2 LYS 37 -9.577 4.527 -5.018 266 HB3 LYS 37 HB1 LYS 37 -10.290 3.597 -3.768 267 HG2 LYS 37 HG2 LYS 37 -10.538 6.544 -4.125 268 HG3 LYS 37 HG1 LYS 37 -11.631 5.336 -4.794 269 HD2 LYS 37 HD2 LYS 37 -12.153 4.562 -2.629 270 HD3 LYS 37 HD1 LYS 37 -11.063 5.759 -1.936 271 HE2 LYS 37 HE2 LYS 37 -12.365 7.526 -2.982 272 HE3 LYS 37 HE1 LYS 37 -13.453 6.331 -3.664 273 HZ1 LYS 37 HZ1 LYS 37 -14.284 7.467 -1.617 274 HZ2 LYS 37 HZ2 LYS 37 -13.079 6.655 -0.744 275 HZ3 LYS 37 HZ3 LYS 37 -14.279 5.779 -1.546 276 H LYS 38 HN LYS 38 -7.979 6.045 -5.262 277 HA LYS 38 HA LYS 38 -6.769 8.288 -3.854 278 HB2 LYS 38 HB2 LYS 38 -5.763 7.111 -5.888 279 HB3 LYS 38 HB1 LYS 38 -6.989 7.945 -6.829 280 HG2 LYS 38 HG2 LYS 38 -4.982 9.212 -6.932 281 HG3 LYS 38 HG1 LYS 38 -6.147 10.090 -5.935 282 HD2 LYS 38 HD2 LYS 38 -4.389 10.241 -4.521 283 HD3 LYS 38 HD1 LYS 38 -4.944 8.626 -4.036 284 HE2 LYS 38 HE2 LYS 38 -2.961 9.027 -6.251 285 HE3 LYS 38 HE1 LYS 38 -2.444 8.959 -4.567 286 HZ1 LYS 38 HZ1 LYS 38 -2.228 6.797 -5.333 287 HZ2 LYS 38 HZ2 LYS 38 -3.665 6.845 -6.233 288 HZ3 LYS 38 HZ3 LYS 38 -3.725 6.759 -4.537 289 H GLY 39 HN GLY 39 -7.586 10.282 -3.671 290 HA2 GLY 39 HA2 GLY 39 -10.308 10.650 -4.684 291 HA3 GLY 39 HA1 GLY 39 -9.553 11.565 -3.390 292 H GLU 40 HN GLU 40 -8.302 13.363 -3.874 293 HA GLU 40 HA GLU 40 -8.838 14.438 -6.538 294 HB2 GLU 40 HB2 GLU 40 -8.323 16.612 -5.610 295 HB3 GLU 40 HB1 GLU 40 -9.459 15.777 -4.561 296 HG2 GLU 40 HG2 GLU 40 -7.755 15.300 -2.968 297 HG3 GLU 40 HG1 GLU 40 -6.495 15.869 -4.064 298 H GLY 41 HN GLY 41 -7.002 12.564 -6.817 299 HA2 GLY 41 HA2 GLY 41 -5.014 12.354 -7.991 300 HA3 GLY 41 HA1 GLY 41 -4.732 14.071 -7.752 301 H ASN 42 HN ASN 42 -4.367 14.568 -5.254 302 HA ASN 42 HA ASN 42 -2.425 12.569 -4.317 303 HB2 ASN 42 HB2 ASN 42 -2.268 15.558 -4.295 304 HB3 ASN 42 HB1 ASN 42 -1.389 14.615 -3.094 305 HD21 ASN 42 HD21 ASN 42 -0.323 16.298 -5.150 306 HD22 ASN 42 HD22 ASN 42 0.666 15.280 -6.135 307 H THR 43 HN THR 43 -5.001 12.247 -3.605 308 HA THR 43 HA THR 43 -4.626 12.423 -0.725 309 HB THR 43 HB THR 43 -7.119 12.730 -0.435 310 HG1 THR 43 HG1 THR 43 -8.306 13.464 -2.088 311 HG21 THR 43 HG21 THR 43 -5.487 15.004 -1.530 312 HG22 THR 43 HG22 THR 43 -5.553 14.458 0.148 313 HG23 THR 43 HG23 THR 43 -6.979 15.180 -0.603 314 H CYS 44 HN CYS 44 -5.428 10.733 0.371 315 HA CYS 44 HA CYS 44 -6.548 8.576 -1.263 316 HB2 CYS 44 HB2 CYS 44 -4.919 8.436 1.274 317 HB3 CYS 44 HB1 CYS 44 -5.640 7.046 0.468 318 H VAL 45 HN VAL 45 -8.365 7.592 -0.609 319 HA VAL 45 HA VAL 45 -9.724 8.602 1.779 320 HB VAL 45 HB VAL 45 -11.812 8.844 0.367 321 HG11 VAL 45 HG11 VAL 45 -11.258 11.113 -0.364 322 HG12 VAL 45 HG12 VAL 45 -9.537 10.743 -0.254 323 HG13 VAL 45 HG13 VAL 45 -10.527 10.780 1.208 324 HG21 VAL 45 HG21 VAL 45 -9.785 8.888 -1.891 325 HG22 VAL 45 HG22 VAL 45 -11.499 9.271 -2.035 326 HG23 VAL 45 HG23 VAL 45 -10.996 7.630 -1.625 327 H GLU 46 HN GLU 46 -11.067 7.186 2.698 328 HA GLU 46 HA GLU 46 -10.785 4.472 2.328 329 HB2 GLU 46 HB2 GLU 46 -12.807 6.216 3.648 330 HB3 GLU 46 HB1 GLU 46 -13.164 4.499 3.512 331 HG2 GLU 46 HG2 GLU 46 -11.137 3.960 4.733 332 HG3 GLU 46 HG1 GLU 46 -10.719 5.674 4.839 333 H ASN 47 HN ASN 47 -11.417 3.175 0.617 334 HA ASN 47 HA ASN 47 -13.343 4.248 -1.195 335 HB2 ASN 47 HB2 ASN 47 -12.854 2.229 -2.525 336 HB3 ASN 47 HB1 ASN 47 -11.472 3.206 -2.241 337 HD21 ASN 47 HD21 ASN 47 -10.190 1.656 -2.829 338 HD22 ASN 47 HD22 ASN 47 -9.886 0.280 -1.875 339 H ASN 48 HN ASN 48 -13.133 1.425 0.900 340 HA ASN 48 HA ASN 48 -14.710 0.220 1.967 341 HB2 ASN 48 HB2 ASN 48 -16.361 2.641 1.307 342 HB3 ASN 48 HB1 ASN 48 -17.064 1.246 2.124 343 HD21 ASN 48 HD21 ASN 48 -13.749 2.230 2.570 344 HD22 ASN 48 HD22 ASN 48 -13.911 2.745 4.208 345 H ASN 49 HN ASN 49 -15.005 0.969 -1.323 346 HA ASN 49 HA ASN 49 -16.214 -1.686 -1.684 347 HB2 ASN 49 HB2 ASN 49 -17.754 0.261 -2.309 348 HB3 ASN 49 HB1 ASN 49 -16.616 0.578 -3.611 349 HD21 ASN 49 HD21 ASN 49 -16.435 -0.931 -5.307 350 HD22 ASN 49 HD22 ASN 49 -17.653 -2.123 -5.604 351 HA PRO 50 HA PRO 50 -12.018 -1.042 -3.783 352 HB2 PRO 50 HB2 PRO 50 -10.668 -2.881 -2.322 353 HB3 PRO 50 HB1 PRO 50 -10.746 -1.171 -1.913 354 HG2 PRO 50 HG2 PRO 50 -12.255 -3.456 -0.776 355 HG3 PRO 50 HG1 PRO 50 -11.600 -2.015 0.022 356 HD2 PRO 50 HD2 PRO 50 -14.228 -2.299 -0.636 357 HD3 PRO 50 HD1 PRO 50 -13.412 -0.746 -0.511 358 H THR 51 HN THR 51 -11.411 -2.270 -5.413 359 HA THR 51 HA THR 51 -12.407 -5.036 -5.559 360 HB THR 51 HB THR 51 -13.672 -3.615 -7.107 361 HG1 THR 51 HG1 THR 51 -12.719 -5.837 -7.697 362 HG21 THR 51 HG21 THR 51 -11.012 -2.984 -8.392 363 HG22 THR 51 HG22 THR 51 -11.987 -1.854 -7.451 364 HG23 THR 51 HG23 THR 51 -12.599 -2.484 -8.981 365 H CYS 52 HN CYS 52 -10.943 -6.571 -6.515 366 HA CYS 52 HA CYS 52 -8.173 -5.668 -6.567 367 HB2 CYS 52 HB2 CYS 52 -9.027 -7.976 -5.690 368 HB3 CYS 52 HB1 CYS 52 -9.161 -8.399 -7.391 369 H ASP 53 HN ASP 53 -7.094 -5.274 -8.427 370 HA ASP 53 HA ASP 53 -7.409 -5.427 -11.031 371 HB2 ASP 53 HB2 ASP 53 -9.931 -5.271 -10.709 372 HB3 ASP 53 HB1 ASP 53 -9.687 -3.623 -10.149 373 H ILE 54 HN ILE 54 -8.211 -2.973 -8.629 374 HA ILE 54 HA ILE 54 -6.700 -0.918 -9.974 375 HB ILE 54 HB ILE 54 -8.004 -0.885 -7.249 376 HG12 ILE 54 HG12 ILE 54 -9.033 0.232 -9.868 377 HG13 ILE 54 HG11 ILE 54 -9.586 -1.272 -9.138 378 HG21 ILE 54 HG21 ILE 54 -6.157 0.751 -7.614 379 HG22 ILE 54 HG22 ILE 54 -7.733 1.496 -7.305 380 HG23 ILE 54 HG23 ILE 54 -7.096 1.436 -8.949 381 HD11 ILE 54 HD11 ILE 54 -9.846 1.477 -7.943 382 HD12 ILE 54 HD12 ILE 54 -10.391 -0.025 -7.195 383 HD13 ILE 54 HD13 ILE 54 -11.136 0.538 -8.692 384 H ASN 55 HN ASN 55 -4.602 -1.660 -9.945 385 HA ASN 55 HA ASN 55 -2.523 -2.100 -9.106 386 HB2 ASN 55 HB2 ASN 55 -3.222 0.230 -8.113 387 HB3 ASN 55 HB1 ASN 55 -3.287 -0.630 -6.604 388 HD21 ASN 55 HD21 ASN 55 -1.422 -1.296 -5.678 389 HD22 ASN 55 HD22 ASN 55 0.147 -0.813 -6.219 390 H ASN 56 HN ASN 56 -4.369 -4.096 -8.749 391 HA ASN 56 HA ASN 56 -4.613 -6.111 -7.706 392 HB2 ASN 56 HB2 ASN 56 -2.552 -5.507 -5.624 393 HB3 ASN 56 HB1 ASN 56 -2.842 -7.006 -6.490 394 HD21 ASN 56 HD21 ASN 56 -0.591 -4.994 -5.945 395 HD22 ASN 56 HD22 ASN 56 0.202 -4.938 -7.464 396 H GLY 57 HN GLY 57 -5.984 -3.652 -6.808 397 HA2 GLY 57 HA2 GLY 57 -7.747 -3.454 -5.286 398 HA3 GLY 57 HA1 GLY 57 -7.040 -4.757 -4.342 399 H GLY 58 HN GLY 58 -4.629 -2.632 -5.104 400 HA2 GLY 58 HA2 GLY 58 -4.074 -0.578 -3.906 401 HA3 GLY 58 HA1 GLY 58 -4.969 -1.222 -2.536 402 H CYS 59 HN CYS 59 -3.226 -3.555 -4.175 403 HA CYS 59 HA CYS 59 -1.249 -3.737 -2.015 404 HB2 CYS 59 HB2 CYS 59 -1.900 -5.862 -4.049 405 HB3 CYS 59 HB1 CYS 59 -1.133 -6.059 -2.474 406 H ASP 60 HN ASP 60 0.681 -5.051 -2.857 407 HA ASP 60 HA ASP 60 1.776 -3.735 -5.251 408 HB2 ASP 60 HB2 ASP 60 2.972 -3.798 -3.003 409 HB3 ASP 60 HB1 ASP 60 3.123 -5.530 -3.222 410 HA PRO 61 HA PRO 61 0.968 -7.338 -7.604 411 HB2 PRO 61 HB2 PRO 61 3.711 -7.140 -8.721 412 HB3 PRO 61 HB1 PRO 61 2.158 -7.124 -9.553 413 HG2 PRO 61 HG2 PRO 61 3.667 -4.911 -9.233 414 HG3 PRO 61 HG1 PRO 61 1.896 -4.870 -9.298 415 HD2 PRO 61 HD2 PRO 61 3.710 -4.552 -6.973 416 HD3 PRO 61 HD1 PRO 61 2.093 -3.897 -7.254 417 H THR 62 HN THR 62 3.792 -7.039 -5.632 418 HA THR 62 HA THR 62 4.328 -9.903 -5.628 419 HB THR 62 HB THR 62 6.275 -9.376 -4.317 420 HG1 THR 62 HG1 THR 62 5.473 -6.638 -4.226 421 HG21 THR 62 HG21 THR 62 6.491 -8.892 -6.674 422 HG22 THR 62 HG22 THR 62 7.354 -7.656 -5.757 423 HG23 THR 62 HG23 THR 62 5.764 -7.297 -6.449 424 H ALA 63 HN ALA 63 2.323 -7.740 -4.127 425 HA ALA 63 HA ALA 63 1.942 -9.435 -1.774 426 HB1 ALA 63 HB1 ALA 63 0.268 -7.717 -1.120 427 HB2 ALA 63 HB2 ALA 63 0.669 -6.806 -2.585 428 HB3 ALA 63 HB3 ALA 63 1.892 -7.060 -1.329 429 H SER 64 HN SER 64 0.842 -11.220 -2.261 430 HA SER 64 HA SER 64 -0.878 -11.681 -4.387 431 HB2 SER 64 HB2 SER 64 0.005 -13.514 -3.089 432 HB3 SER 64 HB1 SER 64 -0.780 -12.929 -1.627 433 HG SER 64 HG SER 64 -2.554 -13.887 -2.216 434 H CYS 65 HN CYS 65 -2.691 -10.616 -4.871 435 HA CYS 65 HA CYS 65 -4.225 -9.378 -2.738 436 HB2 CYS 65 HB2 CYS 65 -3.974 -7.898 -4.559 437 HB3 CYS 65 HB1 CYS 65 -4.363 -9.155 -5.727 438 H GLN 66 HN GLN 66 -5.966 -10.047 -1.985 439 HA GLN 66 HA GLN 66 -7.593 -12.052 -3.404 440 HB2 GLN 66 HB2 GLN 66 -7.736 -11.747 -0.437 441 HB3 GLN 66 HB1 GLN 66 -8.049 -13.166 -1.420 442 HG2 GLN 66 HG2 GLN 66 -5.289 -12.153 -1.334 443 HG3 GLN 66 HG1 GLN 66 -5.911 -12.912 0.117 444 HE21 GLN 66 HE21 GLN 66 -6.470 -15.078 0.084 445 HE22 GLN 66 HE22 GLN 66 -5.912 -16.153 -1.156 446 H ASN 67 HN ASN 67 -9.516 -11.146 -3.979 447 HA ASN 67 HA ASN 67 -10.365 -8.771 -2.568 448 HB2 ASN 67 HB2 ASN 67 -12.394 -8.946 -4.145 449 HB3 ASN 67 HB1 ASN 67 -10.845 -8.467 -4.792 450 HD21 ASN 67 HD21 ASN 67 -13.156 -9.573 -6.096 451 HD22 ASN 67 HD22 ASN 67 -12.596 -10.986 -6.917 452 H ALA 68 HN ALA 68 -11.970 -8.570 -1.250 453 HA ALA 68 HA ALA 68 -13.650 -10.810 -0.511 454 HB1 ALA 68 HB1 ALA 68 -11.523 -9.710 1.312 455 HB2 ALA 68 HB2 ALA 68 -11.678 -11.367 0.722 456 HB3 ALA 68 HB3 ALA 68 -12.867 -10.719 1.856 457 H GLU 69 HN GLU 69 -15.098 -10.143 1.331 458 HA GLU 69 HA GLU 69 -15.470 -7.258 1.410 459 HB2 GLU 69 HB2 GLU 69 -17.936 -7.638 1.351 460 HB3 GLU 69 HB1 GLU 69 -17.082 -7.955 -0.156 461 HG2 GLU 69 HG2 GLU 69 -17.062 -10.317 0.341 462 HG3 GLU 69 HG1 GLU 69 -17.887 -9.987 1.857 463 H SER 70 HN SER 70 -15.388 -6.515 3.352 464 HA SER 70 HA SER 70 -16.286 -8.157 5.605 465 HB2 SER 70 HB2 SER 70 -13.838 -8.454 5.402 466 HB3 SER 70 HB1 SER 70 -13.622 -6.709 5.464 467 HG SER 70 HG SER 70 -13.789 -8.421 7.488 468 H THR 71 HN THR 71 -16.474 -6.827 7.609 469 HA THR 71 HA THR 71 -17.895 -4.453 7.208 470 HB THR 71 HB THR 71 -18.207 -5.714 9.234 471 HG1 THR 71 HG1 THR 71 -18.278 -4.012 10.631 472 HG21 THR 71 HG21 THR 71 -15.353 -5.025 9.931 473 HG22 THR 71 HG22 THR 71 -15.945 -6.615 9.448 474 HG23 THR 71 HG23 THR 71 -16.495 -5.891 10.961 475 H GLU 72 HN GLU 72 -14.482 -5.076 7.758 476 HA GLU 72 HA GLU 72 -13.859 -2.228 7.821 477 HB2 GLU 72 HB2 GLU 72 -11.891 -4.487 7.707 478 HB3 GLU 72 HB1 GLU 72 -11.609 -2.849 8.255 479 HG2 GLU 72 HG2 GLU 72 -13.537 -3.702 9.984 480 HG3 GLU 72 HG1 GLU 72 -12.605 -5.176 9.695 481 H ASN 73 HN ASN 73 -13.047 -1.120 6.143 482 HA ASN 73 HA ASN 73 -13.073 -2.149 3.496 483 HB2 ASN 73 HB2 ASN 73 -11.793 0.030 2.998 484 HB3 ASN 73 HB1 ASN 73 -13.371 0.210 3.722 485 HD21 ASN 73 HD21 ASN 73 -13.603 1.096 5.667 486 HD22 ASN 73 HD22 ASN 73 -12.293 1.768 6.563 487 H SER 74 HN SER 74 -10.580 -1.765 5.944 488 HA SER 74 HA SER 74 -8.412 -2.307 4.157 489 HB2 SER 74 HB2 SER 74 -8.246 -0.950 6.283 490 HB3 SER 74 HB1 SER 74 -8.401 -2.460 7.181 491 HG SER 74 HG SER 74 -6.280 -1.498 5.622 492 H LYS 75 HN LYS 75 -10.736 -4.216 5.683 493 HA LYS 75 HA LYS 75 -9.058 -6.614 5.600 494 HB2 LYS 75 HB2 LYS 75 -11.828 -6.190 6.742 495 HB3 LYS 75 HB1 LYS 75 -10.921 -7.694 6.804 496 HG2 LYS 75 HG2 LYS 75 -9.938 -5.139 8.006 497 HG3 LYS 75 HG1 LYS 75 -10.875 -6.345 8.891 498 HD2 LYS 75 HD2 LYS 75 -8.268 -6.895 7.481 499 HD3 LYS 75 HD1 LYS 75 -8.435 -6.574 9.204 500 HE2 LYS 75 HE2 LYS 75 -9.862 -8.517 9.452 501 HE3 LYS 75 HE1 LYS 75 -9.753 -8.830 7.720 502 HZ1 LYS 75 HZ1 LYS 75 -7.363 -9.137 7.971 503 HZ2 LYS 75 HZ2 LYS 75 -8.231 -10.238 8.925 504 HZ3 LYS 75 HZ3 LYS 75 -7.494 -8.887 9.646 505 H LYS 76 HN LYS 76 -10.690 -4.962 3.416 506 HA LYS 76 HA LYS 76 -12.271 -7.126 2.303 507 HB2 LYS 76 HB2 LYS 76 -11.645 -4.462 1.069 508 HB3 LYS 76 HB1 LYS 76 -12.880 -5.603 0.568 509 HG2 LYS 76 HG2 LYS 76 -13.952 -5.233 2.830 510 HG3 LYS 76 HG1 LYS 76 -12.833 -3.878 3.025 511 HD2 LYS 76 HD2 LYS 76 -13.684 -3.174 0.693 512 HD3 LYS 76 HD1 LYS 76 -15.023 -4.250 1.041 513 HE2 LYS 76 HE2 LYS 76 -14.210 -1.776 2.539 514 HE3 LYS 76 HE1 LYS 76 -15.687 -2.060 1.628 515 HZ1 LYS 76 HZ1 LYS 76 -14.929 -3.354 4.183 516 HZ2 LYS 76 HZ2 LYS 76 -16.236 -3.848 3.231 517 HZ3 LYS 76 HZ3 LYS 76 -16.226 -2.293 3.907 518 H ILE 77 HN ILE 77 -9.549 -5.108 1.284 519 HA ILE 77 HA ILE 77 -8.831 -7.122 -0.687 520 HB ILE 77 HB ILE 77 -7.588 -4.427 -0.143 521 HG12 ILE 77 HG12 ILE 77 -9.832 -4.204 -1.042 522 HG13 ILE 77 HG11 ILE 77 -8.661 -3.794 -2.293 523 HG21 ILE 77 HG21 ILE 77 -7.077 -6.402 -2.359 524 HG22 ILE 77 HG22 ILE 77 -5.954 -5.940 -1.080 525 HG23 ILE 77 HG23 ILE 77 -6.438 -4.758 -2.298 526 HD11 ILE 77 HD11 ILE 77 -10.532 -5.149 -3.119 527 HD12 ILE 77 HD12 ILE 77 -10.040 -6.451 -2.029 528 HD13 ILE 77 HD13 ILE 77 -8.968 -5.940 -3.335 529 H ILE 78 HN ILE 78 -7.573 -8.671 -0.136 530 HA ILE 78 HA ILE 78 -5.856 -8.398 2.211 531 HB ILE 78 HB ILE 78 -6.518 -10.866 0.598 532 HG12 ILE 78 HG12 ILE 78 -7.674 -11.458 2.845 533 HG13 ILE 78 HG11 ILE 78 -7.637 -9.725 3.144 534 HG21 ILE 78 HG21 ILE 78 -5.026 -10.579 3.196 535 HG22 ILE 78 HG22 ILE 78 -4.335 -11.024 1.635 536 HG23 ILE 78 HG23 ILE 78 -5.480 -12.104 2.432 537 HD11 ILE 78 HD11 ILE 78 -8.974 -9.304 1.201 538 HD12 ILE 78 HD12 ILE 78 -9.773 -10.537 2.182 539 HD13 ILE 78 HD13 ILE 78 -8.888 -11.000 0.727 540 H CYS 79 HN CYS 79 -3.875 -7.744 1.886 541 HA CYS 79 HA CYS 79 -2.518 -8.459 -0.616 542 HB2 CYS 79 HB2 CYS 79 -1.746 -6.244 1.283 543 HB3 CYS 79 HB1 CYS 79 -1.189 -6.496 -0.366 544 H THR 80 HN THR 80 -1.141 -10.052 -0.409 545 HA THR 80 HA THR 80 0.209 -10.476 2.174 546 HB THR 80 HB THR 80 -0.714 -12.519 0.148 547 HG1 THR 80 HG1 THR 80 -1.687 -11.591 2.601 548 HG21 THR 80 HG21 THR 80 0.114 -14.191 1.806 549 HG22 THR 80 HG22 THR 80 0.896 -12.867 2.675 550 HG23 THR 80 HG23 THR 80 1.392 -13.256 1.027 551 H CYS 81 HN CYS 81 2.296 -9.871 1.966 552 HA CYS 81 HA CYS 81 3.592 -10.052 -0.616 553 HB2 CYS 81 HB2 CYS 81 4.987 -9.376 1.976 554 HB3 CYS 81 HB1 CYS 81 5.398 -8.866 0.348 555 H LYS 82 HN LYS 82 4.951 -11.636 -1.254 556 HA LYS 82 HA LYS 82 4.675 -14.155 0.039 557 HB2 LYS 82 HB2 LYS 82 6.176 -13.286 -2.420 558 HB3 LYS 82 HB1 LYS 82 6.209 -14.942 -1.839 559 HG2 LYS 82 HG2 LYS 82 4.590 -14.831 -3.558 560 HG3 LYS 82 HG1 LYS 82 3.709 -14.961 -2.037 561 HD2 LYS 82 HD2 LYS 82 3.248 -12.595 -2.055 562 HD3 LYS 82 HD1 LYS 82 4.247 -12.381 -3.494 563 HE2 LYS 82 HE2 LYS 82 1.717 -14.009 -3.327 564 HE3 LYS 82 HE1 LYS 82 1.858 -12.391 -4.015 565 HZ1 LYS 82 HZ1 LYS 82 3.288 -14.794 -5.024 566 HZ2 LYS 82 HZ2 LYS 82 3.313 -13.242 -5.716 567 HZ3 LYS 82 HZ3 LYS 82 1.873 -14.144 -5.700 568 H GLU 83 HN GLU 83 6.812 -15.609 -0.199 569 HA GLU 83 HA GLU 83 8.290 -15.217 2.067 570 HB2 GLU 83 HB2 GLU 83 9.103 -16.743 -0.396 571 HB3 GLU 83 HB1 GLU 83 9.864 -16.897 1.179 572 HG2 GLU 83 HG2 GLU 83 7.658 -17.577 2.088 573 HG3 GLU 83 HG1 GLU 83 7.039 -17.587 0.441 574 HA PRO 84 HA PRO 84 12.008 -13.354 -0.251 575 HB2 PRO 84 HB2 PRO 84 11.754 -12.273 -2.683 576 HB3 PRO 84 HB1 PRO 84 12.033 -14.005 -2.471 577 HG2 PRO 84 HG2 PRO 84 9.506 -12.557 -3.113 578 HG3 PRO 84 HG1 PRO 84 10.082 -14.127 -3.701 579 HD2 PRO 84 HD2 PRO 84 8.220 -13.760 -1.681 580 HD3 PRO 84 HD1 PRO 84 9.174 -15.230 -1.930 581 H THR 85 HN THR 85 9.115 -12.172 0.350 582 HA THR 85 HA THR 85 10.070 -9.411 0.512 583 HB THR 85 HB THR 85 7.934 -8.545 -0.146 584 HG1 THR 85 HG1 THR 85 7.025 -10.901 0.675 585 HG21 THR 85 HG21 THR 85 8.691 -10.825 -1.969 586 HG22 THR 85 HG22 THR 85 9.285 -9.162 -2.041 587 HG23 THR 85 HG23 THR 85 7.594 -9.509 -2.402 588 HA PRO 86 HA PRO 86 8.858 -11.524 4.513 589 HB2 PRO 86 HB2 PRO 86 11.145 -9.991 5.545 590 HB3 PRO 86 HB1 PRO 86 10.823 -11.721 5.659 591 HG2 PRO 86 HG2 PRO 86 12.753 -10.726 4.089 592 HG3 PRO 86 HG1 PRO 86 11.806 -12.153 3.617 593 HD2 PRO 86 HD2 PRO 86 11.550 -9.314 2.710 594 HD3 PRO 86 HD1 PRO 86 11.425 -10.816 1.776 595 H ASN 87 HN ASN 87 9.085 -8.367 3.434 596 HA ASN 87 HA ASN 87 7.822 -7.298 5.854 597 HB2 ASN 87 HB2 ASN 87 9.743 -5.811 4.066 598 HB3 ASN 87 HB1 ASN 87 9.046 -5.240 5.564 599 HD21 ASN 87 HD21 ASN 87 11.383 -7.213 4.076 600 HD22 ASN 87 HD22 ASN 87 12.325 -7.605 5.476 601 H ALA 88 HN ALA 88 6.587 -5.288 5.355 602 HA ALA 88 HA ALA 88 5.679 -5.192 2.564 603 HB1 ALA 88 HB1 ALA 88 3.387 -4.888 3.310 604 HB2 ALA 88 HB2 ALA 88 3.897 -5.043 4.992 605 HB3 ALA 88 HB3 ALA 88 4.029 -6.421 3.898 606 H TYR 89 HN TYR 89 5.280 -3.179 1.770 607 HA TYR 89 HA TYR 89 6.199 -0.915 3.296 608 HB2 TYR 89 HB2 TYR 89 4.775 -0.926 0.620 609 HB3 TYR 89 HB1 TYR 89 5.640 0.414 1.319 610 HD1 TYR 89 HD1 TYR 89 7.633 -2.394 1.956 611 HD2 TYR 89 HD2 TYR 89 6.366 0.123 -1.223 612 HE1 TYR 89 HE1 TYR 89 9.612 -3.023 0.660 613 HE2 TYR 89 HE2 TYR 89 8.343 -0.499 -2.524 614 HH TYR 89 HH TYR 89 10.472 -1.393 -2.304 615 H TYR 90 HN TYR 90 4.951 -0.262 4.892 616 HA TYR 90 HA TYR 90 3.190 0.279 6.177 617 HB2 TYR 90 HB2 TYR 90 2.531 1.445 3.779 618 HB3 TYR 90 HB1 TYR 90 1.116 0.462 4.117 619 HD1 TYR 90 HD1 TYR 90 2.614 3.578 4.680 620 HD2 TYR 90 HD2 TYR 90 0.222 0.643 6.611 621 HE1 TYR 90 HE1 TYR 90 1.856 5.264 6.283 622 HE2 TYR 90 HE2 TYR 90 -0.558 2.328 8.219 623 HH TYR 90 HH TYR 90 0.008 5.686 7.806 624 H GLU 91 HN GLU 91 0.582 -0.809 4.361 625 HA GLU 91 HA GLU 91 0.308 -3.026 6.251 626 HB2 GLU 91 HB2 GLU 91 -1.845 -2.143 4.356 627 HB3 GLU 91 HB1 GLU 91 -2.006 -2.932 5.916 628 HG2 GLU 91 HG2 GLU 91 -0.911 -0.696 6.777 629 HG3 GLU 91 HG1 GLU 91 -1.575 -0.075 5.263 630 H GLY 92 HN GLY 92 1.702 -2.890 3.387 631 HA2 GLY 92 HA2 GLY 92 2.081 -4.878 2.041 632 HA3 GLY 92 HA1 GLY 92 0.414 -5.351 2.359 633 H VAL 93 HN VAL 93 0.578 -2.084 1.922 634 HA VAL 93 HA VAL 93 -0.843 -2.000 -0.477 635 HB VAL 93 HB VAL 93 0.873 0.203 0.723 636 HG11 VAL 93 HG11 VAL 93 -1.542 0.324 -1.057 637 HG12 VAL 93 HG12 VAL 93 0.123 0.690 -1.514 638 HG13 VAL 93 HG13 VAL 93 -0.716 1.710 -0.347 639 HG21 VAL 93 HG21 VAL 93 -0.566 -0.573 2.472 640 HG22 VAL 93 HG22 VAL 93 -1.962 -0.592 1.393 641 HG23 VAL 93 HG23 VAL 93 -1.231 0.945 1.860 642 H PHE 94 HN PHE 94 2.551 -1.894 0.288 643 HA PHE 94 HA PHE 94 3.083 -2.813 -2.389 644 HB2 PHE 94 HB2 PHE 94 5.343 -1.240 -1.926 645 HB3 PHE 94 HB1 PHE 94 4.132 -1.003 -3.161 646 HD1 PHE 94 HD1 PHE 94 2.580 -0.147 -0.062 647 HD2 PHE 94 HD2 PHE 94 5.463 1.222 -2.880 648 HE1 PHE 94 HE1 PHE 94 2.281 2.148 0.754 649 HE2 PHE 94 HE2 PHE 94 5.165 3.522 -2.066 650 HZ PHE 94 HZ PHE 94 3.569 3.994 -0.252 651 H CYS 95 HN CYS 95 5.320 -3.843 -2.505 652 HA CYS 95 HA CYS 95 6.534 -4.478 0.069 653 HB2 CYS 95 HB2 CYS 95 5.924 -6.872 -1.633 654 HB3 CYS 95 HB1 CYS 95 6.214 -6.775 0.102 655 H SER 96 HN SER 96 8.546 -6.012 -0.399 656 HA SER 96 HA SER 96 9.728 -5.200 -2.985 657 HB2 SER 96 HB2 SER 96 10.571 -3.892 -0.965 658 HB3 SER 96 HB1 SER 96 11.285 -5.398 -0.408 659 HG SER 96 HG SER 96 11.887 -3.922 -2.744 660 H SER 97 HN SER 97 10.433 -6.884 -4.147 661 HA SER 97 HA SER 97 10.865 -9.414 -2.735 662 HB2 SER 97 HB2 SER 97 10.585 -10.337 -5.156 663 HB3 SER 97 HB1 SER 97 9.179 -9.813 -4.237 664 HG SER 97 HG SER 97 9.558 -9.026 -6.543 665 H SER 98 HN SER 98 12.975 -8.758 -2.183 666 HA SER 98 HA SER 98 14.936 -9.825 -3.915 667 HB2 SER 98 HB2 SER 98 16.290 -7.683 -4.169 668 HB3 SER 98 HB1 SER 98 14.839 -7.804 -5.163 669 HG SER 98 HG SER 98 13.826 -6.632 -3.271 670 H SER 99 HN SER 99 13.985 -9.880 -1.092 671 HA SER 99 HA SER 99 16.098 -8.739 0.480 672 HB2 SER 99 HB2 SER 99 14.961 -9.943 2.365 673 HB3 SER 99 HB1 SER 99 13.888 -8.907 1.428 674 HG SER 99 HG SER 99 14.201 -11.672 0.898 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 20.245 -2.564 -2.139 2 H2 GLY 1 HT2 GLY 1 19.447 -2.022 -3.540 3 H3 GLY 1 HT3 GLY 1 19.618 -3.684 -3.247 4 HA2 GLY 1 HA2 GLY 1 17.363 -2.933 -2.766 5 HA3 GLY 1 HA1 GLY 1 18.026 -1.810 -1.585 6 H VAL 2 HN VAL 2 16.241 -3.411 -0.529 7 HA VAL 2 HA VAL 2 17.421 -5.852 0.446 8 HB VAL 2 HB VAL 2 18.404 -3.862 1.795 9 HG11 VAL 2 HG11 VAL 2 15.643 -4.045 3.011 10 HG12 VAL 2 HG12 VAL 2 16.358 -2.649 2.199 11 HG13 VAL 2 HG13 VAL 2 17.020 -3.205 3.737 12 HG21 VAL 2 HG21 VAL 2 18.712 -5.241 3.652 13 HG22 VAL 2 HG22 VAL 2 18.408 -6.373 2.329 14 HG23 VAL 2 HG23 VAL 2 17.126 -5.991 3.480 15 H ASP 3 HN ASP 3 15.954 -6.680 2.353 16 HA ASP 3 HA ASP 3 13.400 -7.169 1.591 17 HB2 ASP 3 HB2 ASP 3 13.019 -7.888 3.848 18 HB3 ASP 3 HB1 ASP 3 14.643 -8.330 3.378 19 HA PRO 4 HA PRO 4 11.169 -3.519 1.219 20 HB2 PRO 4 HB2 PRO 4 8.824 -4.597 2.407 21 HB3 PRO 4 HB1 PRO 4 9.217 -4.418 0.702 22 HG2 PRO 4 HG2 PRO 4 9.492 -6.756 2.478 23 HG3 PRO 4 HG1 PRO 4 9.232 -6.702 0.725 24 HD2 PRO 4 HD2 PRO 4 11.556 -7.418 1.777 25 HD3 PRO 4 HD1 PRO 4 11.491 -6.432 0.304 26 H LYS 5 HN LYS 5 11.541 -4.678 4.528 27 HA LYS 5 HA LYS 5 9.762 -2.706 5.626 28 HB2 LYS 5 HB2 LYS 5 10.663 -3.403 7.834 29 HB3 LYS 5 HB1 LYS 5 9.980 -4.702 6.889 30 HG2 LYS 5 HG2 LYS 5 11.892 -5.647 7.769 31 HG3 LYS 5 HG1 LYS 5 12.407 -5.155 6.156 32 HD2 LYS 5 HD2 LYS 5 14.124 -4.542 7.713 33 HD3 LYS 5 HD1 LYS 5 13.327 -3.064 7.169 34 HE2 LYS 5 HE2 LYS 5 12.000 -3.014 9.216 35 HE3 LYS 5 HE1 LYS 5 12.758 -4.512 9.755 36 HZ1 LYS 5 HZ1 LYS 5 14.019 -1.851 9.425 37 HZ2 LYS 5 HZ2 LYS 5 14.923 -3.270 9.593 38 HZ3 LYS 5 HZ3 LYS 5 13.887 -2.780 10.838 39 H HIS 6 HN HIS 6 12.356 -1.996 4.078 40 HA HIS 6 HA HIS 6 13.836 -0.432 5.949 41 HB2 HIS 6 HB2 HIS 6 14.809 0.603 3.808 42 HB3 HIS 6 HB1 HIS 6 15.124 -1.101 4.125 43 HD1 HIS 6 HD1 HIS 6 13.625 -2.806 2.713 44 HD2 HIS 6 HD2 HIS 6 13.634 1.147 1.466 45 HE1 HIS 6 HE1 HIS 6 12.584 -2.823 0.435 46 HE2 HIS 6 HE2 HIS 6 12.895 -0.473 -0.419 47 H VAL 7 HN VAL 7 10.883 -0.047 5.477 48 HA VAL 7 HA VAL 7 9.346 1.577 5.639 49 HB VAL 7 HB VAL 7 9.827 3.252 7.322 50 HG11 VAL 7 HG11 VAL 7 10.969 0.510 7.831 51 HG12 VAL 7 HG12 VAL 7 9.315 1.063 8.096 52 HG13 VAL 7 HG13 VAL 7 10.622 1.684 9.104 53 HG21 VAL 7 HG21 VAL 7 12.713 2.392 7.082 54 HG22 VAL 7 HG22 VAL 7 12.060 3.451 8.331 55 HG23 VAL 7 HG23 VAL 7 12.054 3.968 6.646 56 H CYS 8 HN CYS 8 9.878 4.451 6.019 57 HA CYS 8 HA CYS 8 10.704 5.352 3.379 58 HB2 CYS 8 HB2 CYS 8 8.506 4.682 2.858 59 HB3 CYS 8 HB1 CYS 8 7.862 5.308 4.354 60 H VAL 9 HN VAL 9 10.972 7.489 3.196 61 HA VAL 9 HA VAL 9 9.688 9.307 5.067 62 HB VAL 9 HB VAL 9 11.913 10.692 4.831 63 HG11 VAL 9 HG11 VAL 9 12.805 9.669 6.901 64 HG12 VAL 9 HG12 VAL 9 11.684 8.322 6.686 65 HG13 VAL 9 HG13 VAL 9 11.066 9.950 6.979 66 HG21 VAL 9 HG21 VAL 9 13.019 9.223 3.283 67 HG22 VAL 9 HG22 VAL 9 12.816 7.848 4.373 68 HG23 VAL 9 HG23 VAL 9 13.908 9.170 4.813 69 H ASP 10 HN ASP 10 8.332 10.022 3.488 70 HA ASP 10 HA ASP 10 9.541 11.035 1.027 71 HB2 ASP 10 HB2 ASP 10 8.576 8.986 0.382 72 HB3 ASP 10 HB1 ASP 10 7.148 9.262 1.349 73 H THR 11 HN THR 11 8.476 12.733 0.030 74 HA THR 11 HA THR 11 7.146 14.506 -0.334 75 HB THR 11 HB THR 11 5.512 12.257 0.621 76 HG1 THR 11 HG1 THR 11 5.952 12.032 -1.437 77 HG21 THR 11 HG21 THR 11 3.416 13.451 0.014 78 HG22 THR 11 HG22 THR 11 4.334 14.963 0.041 79 HG23 THR 11 HG23 THR 11 4.165 13.999 1.514 80 H ARG 12 HN ARG 12 5.835 16.150 0.357 81 HA ARG 12 HA ARG 12 6.742 17.238 2.828 82 HB2 ARG 12 HB2 ARG 12 4.889 18.310 0.745 83 HB3 ARG 12 HB1 ARG 12 5.544 19.244 2.068 84 HG2 ARG 12 HG2 ARG 12 6.847 19.800 0.218 85 HG3 ARG 12 HG1 ARG 12 7.826 18.663 1.142 86 HD2 ARG 12 HD2 ARG 12 7.898 18.288 -1.299 87 HD3 ARG 12 HD1 ARG 12 7.354 16.899 -0.367 88 HE ARG 12 HE ARG 12 5.248 18.573 -1.448 89 HH11 ARG 12 HH11 ARG 12 7.337 15.798 -1.943 90 HH12 ARG 12 HH12 ARG 12 6.275 15.049 -3.107 91 HH21 ARG 12 HH21 ARG 12 3.867 17.610 -2.986 92 HH22 ARG 12 HH22 ARG 12 4.299 16.077 -3.689 93 H ASP 13 HN ASP 13 3.624 16.461 1.383 94 HA ASP 13 HA ASP 13 2.616 15.787 4.046 95 HB2 ASP 13 HB2 ASP 13 1.860 18.093 3.637 96 HB3 ASP 13 HB1 ASP 13 1.102 17.579 2.131 97 H ILE 14 HN ILE 14 2.322 13.689 3.763 98 HA ILE 14 HA ILE 14 1.219 12.594 1.311 99 HB ILE 14 HB ILE 14 1.980 11.234 3.914 100 HG12 ILE 14 HG12 ILE 14 3.545 10.743 1.482 101 HG13 ILE 14 HG11 ILE 14 3.631 12.400 2.067 102 HG21 ILE 14 HG21 ILE 14 1.963 9.152 2.575 103 HG22 ILE 14 HG22 ILE 14 1.253 10.061 1.238 104 HG23 ILE 14 HG23 ILE 14 0.361 9.882 2.749 105 HD11 ILE 14 HD11 ILE 14 5.434 11.093 2.959 106 HD12 ILE 14 HD12 ILE 14 4.292 9.921 3.624 107 HD13 ILE 14 HD13 ILE 14 4.332 11.570 4.253 108 HA PRO 15 HA PRO 15 -3.027 12.898 2.405 109 HB2 PRO 15 HB2 PRO 15 -3.163 10.173 1.196 110 HB3 PRO 15 HB1 PRO 15 -4.148 11.599 0.871 111 HG2 PRO 15 HG2 PRO 15 -2.300 10.951 -0.852 112 HG3 PRO 15 HG1 PRO 15 -2.444 12.646 -0.355 113 HD2 PRO 15 HD2 PRO 15 -0.519 10.560 0.584 114 HD3 PRO 15 HD1 PRO 15 -0.191 12.227 0.108 115 H LYS 16 HN LYS 16 -4.545 12.106 3.844 116 HA LYS 16 HA LYS 16 -3.454 10.970 6.167 117 HB2 LYS 16 HB2 LYS 16 -5.206 12.632 6.132 118 HB3 LYS 16 HB1 LYS 16 -6.299 11.486 5.376 119 HG2 LYS 16 HG2 LYS 16 -6.283 10.109 7.331 120 HG3 LYS 16 HG1 LYS 16 -5.060 11.134 8.089 121 HD2 LYS 16 HD2 LYS 16 -6.594 13.002 8.079 122 HD3 LYS 16 HD1 LYS 16 -7.807 12.022 7.258 123 HE2 LYS 16 HE2 LYS 16 -8.268 12.195 9.660 124 HE3 LYS 16 HE1 LYS 16 -7.931 10.533 9.183 125 HZ1 LYS 16 HZ1 LYS 16 -5.930 12.364 10.396 126 HZ2 LYS 16 HZ2 LYS 16 -5.729 10.711 10.063 127 HZ3 LYS 16 HZ3 LYS 16 -6.820 11.206 11.256 128 H ASN 17 HN ASN 17 -5.506 9.727 3.647 129 HA ASN 17 HA ASN 17 -5.688 7.143 4.997 130 HB2 ASN 17 HB2 ASN 17 -6.992 8.170 2.460 131 HB3 ASN 17 HB1 ASN 17 -7.257 6.574 3.137 132 HD21 ASN 17 HD21 ASN 17 -6.890 9.347 5.176 133 HD22 ASN 17 HD22 ASN 17 -8.530 9.441 5.689 134 H ALA 18 HN ALA 18 -3.222 8.223 4.038 135 HA ALA 18 HA ALA 18 -2.562 6.259 1.954 136 HB1 ALA 18 HB1 ALA 18 -1.137 7.879 0.835 137 HB2 ALA 18 HB2 ALA 18 -1.604 9.121 2.004 138 HB3 ALA 18 HB3 ALA 18 -2.804 8.457 0.894 139 H GLY 19 HN GLY 19 -0.318 5.801 1.816 140 HA2 GLY 19 HA2 GLY 19 1.289 6.516 4.163 141 HA3 GLY 19 HA1 GLY 19 1.108 4.821 3.723 142 H CYS 20 HN CYS 20 3.568 6.304 3.819 143 HA CYS 20 HA CYS 20 4.153 6.681 0.974 144 HB2 CYS 20 HB2 CYS 20 5.723 8.297 1.520 145 HB3 CYS 20 HB1 CYS 20 4.477 8.574 2.723 146 H PHE 21 HN PHE 21 5.959 5.767 0.085 147 HA PHE 21 HA PHE 21 7.585 4.097 1.854 148 HB2 PHE 21 HB2 PHE 21 6.328 2.533 0.669 149 HB3 PHE 21 HB1 PHE 21 6.545 3.375 -0.855 150 HD1 PHE 21 HD1 PHE 21 8.552 1.998 1.817 151 HD2 PHE 21 HD2 PHE 21 8.106 2.439 -2.331 152 HE1 PHE 21 HE1 PHE 21 10.528 0.590 1.485 153 HE2 PHE 21 HE2 PHE 21 10.100 1.042 -2.703 154 HZ PHE 21 HZ PHE 21 11.312 0.104 -0.751 155 H ARG 22 HN ARG 22 9.696 4.186 1.606 156 HA ARG 22 HA ARG 22 10.799 5.488 -0.754 157 HB2 ARG 22 HB2 ARG 22 10.743 7.301 0.831 158 HB3 ARG 22 HB1 ARG 22 11.456 6.292 2.082 159 HG2 ARG 22 HG2 ARG 22 13.101 6.307 -0.274 160 HG3 ARG 22 HG1 ARG 22 12.805 7.948 0.298 161 HD2 ARG 22 HD2 ARG 22 13.986 7.634 2.186 162 HD3 ARG 22 HD1 ARG 22 13.417 5.980 2.369 163 HE ARG 22 HE ARG 22 15.085 5.271 0.814 164 HH11 ARG 22 HH11 ARG 22 15.376 8.615 1.791 165 HH12 ARG 22 HH12 ARG 22 17.083 8.699 1.476 166 HH21 ARG 22 HH21 ARG 22 17.338 5.364 0.395 167 HH22 ARG 22 HH22 ARG 22 18.213 6.830 0.720 168 H ASP 23 HN ASP 23 12.152 4.078 -1.600 169 HA ASP 23 HA ASP 23 12.694 1.768 0.010 170 HB2 ASP 23 HB2 ASP 23 13.033 0.604 -1.919 171 HB3 ASP 23 HB1 ASP 23 11.964 1.879 -2.485 172 H ASP 24 HN ASP 24 14.993 0.715 -0.908 173 HA ASP 24 HA ASP 24 16.955 1.981 0.660 174 HB2 ASP 24 HB2 ASP 24 16.890 -0.432 0.247 175 HB3 ASP 24 HB1 ASP 24 17.234 -0.147 -1.453 176 H ASP 25 HN ASP 25 16.208 2.075 -2.762 177 HA ASP 25 HA ASP 25 18.673 3.255 -3.595 178 HB2 ASP 25 HB2 ASP 25 17.174 1.951 -5.098 179 HB3 ASP 25 HB1 ASP 25 15.990 3.255 -5.008 180 H GLY 26 HN GLY 26 15.672 4.517 -2.362 181 HA2 GLY 26 HA2 GLY 26 15.737 6.798 -1.457 182 HA3 GLY 26 HA1 GLY 26 16.662 7.253 -2.883 183 H THR 27 HN THR 27 14.288 5.016 -3.593 184 HA THR 27 HA THR 27 12.740 6.869 -5.131 185 HB THR 27 HB THR 27 12.162 3.986 -4.435 186 HG1 THR 27 HG1 THR 27 13.993 3.735 -5.496 187 HG21 THR 27 HG21 THR 27 10.256 5.176 -5.417 188 HG22 THR 27 HG22 THR 27 10.895 3.968 -6.530 189 HG23 THR 27 HG23 THR 27 11.264 5.675 -6.777 190 H GLU 28 HN GLU 28 11.106 8.061 -4.350 191 HA GLU 28 HA GLU 28 9.800 7.156 -1.871 192 HB2 GLU 28 HB2 GLU 28 10.476 9.919 -2.860 193 HB3 GLU 28 HB1 GLU 28 9.304 9.645 -1.579 194 HG2 GLU 28 HG2 GLU 28 10.921 8.814 -0.109 195 HG3 GLU 28 HG1 GLU 28 12.088 8.550 -1.405 196 H GLU 29 HN GLU 29 7.797 6.583 -2.037 197 HA GLU 29 HA GLU 29 6.000 7.959 -3.886 198 HB2 GLU 29 HB2 GLU 29 6.688 6.213 -5.332 199 HB3 GLU 29 HB1 GLU 29 6.693 5.036 -4.029 200 HG2 GLU 29 HG2 GLU 29 4.264 5.128 -3.916 201 HG3 GLU 29 HG1 GLU 29 4.238 6.333 -5.200 202 H TRP 30 HN TRP 30 4.179 8.354 -2.786 203 HA TRP 30 HA TRP 30 3.486 6.498 -0.645 204 HB2 TRP 30 HB2 TRP 30 1.862 8.165 0.104 205 HB3 TRP 30 HB1 TRP 30 3.474 8.855 -0.001 206 HD1 TRP 30 HD TRP 30 3.707 11.026 -1.352 207 HE1 TRP 30 HE1 TRP 30 2.128 12.436 -2.821 208 HE3 TRP 30 HE3 TRP 30 -0.200 7.761 -1.656 209 HZ2 TRP 30 HZ2 TRP 30 -0.467 12.181 -3.946 210 HZ3 TRP 30 HZ3 TRP 30 -2.199 8.424 -2.940 211 HH2 TRP 30 HH TRP 30 -2.318 10.591 -4.065 212 H ARG 31 HN ARG 31 1.384 5.688 -0.479 213 HA ARG 31 HA ARG 31 -0.147 5.512 -2.976 214 HB2 ARG 31 HB2 ARG 31 0.739 3.164 -1.298 215 HB3 ARG 31 HB1 ARG 31 -0.482 3.072 -2.557 216 HG2 ARG 31 HG2 ARG 31 1.344 3.935 -4.131 217 HG3 ARG 31 HG1 ARG 31 2.456 3.538 -2.821 218 HD2 ARG 31 HD2 ARG 31 1.446 1.226 -2.817 219 HD3 ARG 31 HD1 ARG 31 0.641 1.666 -4.321 220 HE ARG 31 HE ARG 31 3.455 2.162 -4.430 221 HH11 ARG 31 HH11 ARG 31 1.125 -0.460 -4.549 222 HH12 ARG 31 HH12 ARG 31 2.069 -1.415 -5.647 223 HH21 ARG 31 HH21 ARG 31 4.694 0.913 -5.856 224 HH22 ARG 31 HH22 ARG 31 4.128 -0.652 -6.359 225 H CYS 32 HN CYS 32 -2.151 3.983 -2.304 226 HA CYS 32 HA CYS 32 -3.326 5.400 -0.003 227 HB2 CYS 32 HB2 CYS 32 -4.696 4.123 -2.395 228 HB3 CYS 32 HB1 CYS 32 -5.503 5.004 -1.101 229 H LEU 33 HN LEU 33 -4.028 4.244 1.637 230 HA LEU 33 HA LEU 33 -2.904 1.727 2.017 231 HB2 LEU 33 HB2 LEU 33 -5.144 2.930 3.605 232 HB3 LEU 33 HB1 LEU 33 -4.015 1.725 4.161 233 HG LEU 33 HG LEU 33 -3.630 4.663 3.774 234 HD11 LEU 33 HD11 LEU 33 -4.317 3.803 5.947 235 HD12 LEU 33 HD12 LEU 33 -2.708 4.522 6.006 236 HD13 LEU 33 HD13 LEU 33 -2.889 2.763 5.989 237 HD21 LEU 33 HD21 LEU 33 -1.800 3.448 2.553 238 HD22 LEU 33 HD22 LEU 33 -1.312 2.773 4.113 239 HD23 LEU 33 HD23 LEU 33 -1.289 4.528 3.852 240 H LEU 34 HN LEU 34 -4.179 -0.176 2.848 241 HA LEU 34 HA LEU 34 -5.453 -1.221 0.619 242 HB2 LEU 34 HB2 LEU 34 -5.319 -2.310 3.420 243 HB3 LEU 34 HB1 LEU 34 -5.682 -3.232 1.968 244 HG LEU 34 HG LEU 34 -3.080 -1.840 2.584 245 HD11 LEU 34 HD11 LEU 34 -3.801 -4.754 2.418 246 HD12 LEU 34 HD12 LEU 34 -3.337 -3.851 3.866 247 HD13 LEU 34 HD13 LEU 34 -2.166 -4.109 2.572 248 HD21 LEU 34 HD21 LEU 34 -2.267 -2.798 0.514 249 HD22 LEU 34 HD22 LEU 34 -3.643 -1.735 0.212 250 HD23 LEU 34 HD23 LEU 34 -3.858 -3.485 0.188 251 H GLY 35 HN GLY 35 -7.450 -1.355 0.016 252 HA2 GLY 35 HA2 GLY 35 -9.768 -1.498 0.200 253 HA3 GLY 35 HA1 GLY 35 -9.636 -1.122 1.913 254 H TYR 36 HN TYR 36 -7.737 1.027 0.305 255 HA TYR 36 HA TYR 36 -9.866 3.046 0.353 256 HB2 TYR 36 HB2 TYR 36 -6.867 3.413 0.449 257 HB3 TYR 36 HB1 TYR 36 -8.060 4.702 0.516 258 HD1 TYR 36 HD1 TYR 36 -6.405 5.015 2.574 259 HD2 TYR 36 HD2 TYR 36 -9.426 2.051 2.332 260 HE1 TYR 36 HE1 TYR 36 -6.432 4.845 5.024 261 HE2 TYR 36 HE2 TYR 36 -9.459 1.868 4.777 262 HH TYR 36 HH TYR 36 -7.922 4.118 6.818 263 H LYS 37 HN LYS 37 -8.927 4.984 -1.194 264 HA LYS 37 HA LYS 37 -8.201 3.927 -3.789 265 HB2 LYS 37 HB2 LYS 37 -10.262 5.037 -4.729 266 HB3 LYS 37 HB1 LYS 37 -10.582 3.618 -3.757 267 HG2 LYS 37 HG2 LYS 37 -11.308 4.946 -1.950 268 HG3 LYS 37 HG1 LYS 37 -10.692 6.417 -2.709 269 HD2 LYS 37 HD2 LYS 37 -12.700 4.707 -4.066 270 HD3 LYS 37 HD1 LYS 37 -13.174 5.908 -2.888 271 HE2 LYS 37 HE2 LYS 37 -12.278 7.684 -4.155 272 HE3 LYS 37 HE1 LYS 37 -11.398 6.566 -5.198 273 HZ1 LYS 37 HZ1 LYS 37 -14.364 6.774 -5.079 274 HZ2 LYS 37 HZ2 LYS 37 -13.454 5.842 -6.171 275 HZ3 LYS 37 HZ3 LYS 37 -13.394 7.533 -6.247 276 H LYS 38 HN LYS 38 -8.261 5.874 -5.373 277 HA LYS 38 HA LYS 38 -6.979 8.143 -4.031 278 HB2 LYS 38 HB2 LYS 38 -5.909 6.876 -6.011 279 HB3 LYS 38 HB1 LYS 38 -7.123 7.666 -7.005 280 HG2 LYS 38 HG2 LYS 38 -5.199 8.989 -7.193 281 HG3 LYS 38 HG1 LYS 38 -6.259 9.856 -6.082 282 HD2 LYS 38 HD2 LYS 38 -4.331 9.993 -4.899 283 HD3 LYS 38 HD1 LYS 38 -4.913 8.435 -4.294 284 HE2 LYS 38 HE2 LYS 38 -3.129 8.609 -6.698 285 HE3 LYS 38 HE1 LYS 38 -2.458 8.640 -5.070 286 HZ1 LYS 38 HZ1 LYS 38 -3.647 6.501 -4.681 287 HZ2 LYS 38 HZ2 LYS 38 -2.416 6.413 -5.840 288 HZ3 LYS 38 HZ3 LYS 38 -4.035 6.458 -6.332 289 H GLY 39 HN GLY 39 -7.951 10.048 -3.872 290 HA2 GLY 39 HA2 GLY 39 -10.635 10.308 -4.989 291 HA3 GLY 39 HA1 GLY 39 -9.896 11.369 -3.792 292 H GLU 40 HN GLU 40 -8.641 13.101 -4.460 293 HA GLU 40 HA GLU 40 -8.589 13.674 -7.318 294 HB2 GLU 40 HB2 GLU 40 -7.650 15.793 -6.778 295 HB3 GLU 40 HB1 GLU 40 -8.881 15.496 -5.562 296 HG2 GLU 40 HG2 GLU 40 -7.139 14.816 -3.975 297 HG3 GLU 40 HG1 GLU 40 -5.906 15.134 -5.196 298 H GLY 41 HN GLY 41 -6.246 14.500 -8.039 299 HA2 GLY 41 HA2 GLY 41 -4.767 12.251 -8.538 300 HA3 GLY 41 HA1 GLY 41 -4.101 13.875 -8.581 301 H ASN 42 HN ASN 42 -4.259 14.503 -5.838 302 HA ASN 42 HA ASN 42 -2.272 12.592 -4.792 303 HB2 ASN 42 HB2 ASN 42 -2.413 15.592 -4.522 304 HB3 ASN 42 HB1 ASN 42 -1.379 14.595 -3.508 305 HD21 ASN 42 HD21 ASN 42 0.462 15.518 -4.239 306 HD22 ASN 42 HD22 ASN 42 1.092 15.242 -5.823 307 H THR 43 HN THR 43 -4.886 12.036 -4.186 308 HA THR 43 HA THR 43 -4.712 12.352 -1.289 309 HB THR 43 HB THR 43 -7.229 12.588 -1.153 310 HG1 THR 43 HG1 THR 43 -6.795 12.932 -3.880 311 HG21 THR 43 HG21 THR 43 -7.141 15.019 -1.324 312 HG22 THR 43 HG22 THR 43 -5.630 14.900 -2.228 313 HG23 THR 43 HG23 THR 43 -5.696 14.366 -0.547 314 H CYS 44 HN CYS 44 -5.338 10.668 -0.163 315 HA CYS 44 HA CYS 44 -6.569 8.440 -1.621 316 HB2 CYS 44 HB2 CYS 44 -4.803 8.388 0.831 317 HB3 CYS 44 HB1 CYS 44 -5.564 6.975 0.102 318 H VAL 45 HN VAL 45 -8.345 7.488 -0.764 319 HA VAL 45 HA VAL 45 -9.505 8.643 1.657 320 HB VAL 45 HB VAL 45 -11.696 8.919 0.486 321 HG11 VAL 45 HG11 VAL 45 -9.484 10.625 -0.667 322 HG12 VAL 45 HG12 VAL 45 -10.214 10.854 0.925 323 HG13 VAL 45 HG13 VAL 45 -11.190 11.061 -0.536 324 HG21 VAL 45 HG21 VAL 45 -11.712 9.110 -1.963 325 HG22 VAL 45 HG22 VAL 45 -11.279 7.481 -1.441 326 HG23 VAL 45 HG23 VAL 45 -10.028 8.590 -2.011 327 H GLU 46 HN GLU 46 -11.092 7.367 2.588 328 HA GLU 46 HA GLU 46 -10.721 4.599 2.244 329 HB2 GLU 46 HB2 GLU 46 -12.559 6.310 3.857 330 HB3 GLU 46 HB1 GLU 46 -12.850 4.574 3.770 331 HG2 GLU 46 HG2 GLU 46 -10.642 4.130 4.648 332 HG3 GLU 46 HG1 GLU 46 -10.277 5.857 4.668 333 H ASN 47 HN ASN 47 -11.581 3.302 0.835 334 HA ASN 47 HA ASN 47 -13.710 4.261 -0.883 335 HB2 ASN 47 HB2 ASN 47 -11.818 3.334 -2.003 336 HB3 ASN 47 HB1 ASN 47 -11.837 1.896 -1.002 337 HD21 ASN 47 HD21 ASN 47 -11.678 0.929 -3.094 338 HD22 ASN 47 HD22 ASN 47 -13.125 0.520 -3.942 339 H ASN 48 HN ASN 48 -13.040 1.427 1.140 340 HA ASN 48 HA ASN 48 -14.337 -0.086 2.182 341 HB2 ASN 48 HB2 ASN 48 -16.078 2.298 2.202 342 HB3 ASN 48 HB1 ASN 48 -16.861 0.751 2.524 343 HD21 ASN 48 HD21 ASN 48 -14.771 3.188 3.717 344 HD22 ASN 48 HD22 ASN 48 -14.475 2.476 5.279 345 H ASN 49 HN ASN 49 -15.067 0.867 -0.943 346 HA ASN 49 HA ASN 49 -16.358 -1.735 -1.345 347 HB2 ASN 49 HB2 ASN 49 -16.657 0.901 -2.612 348 HB3 ASN 49 HB1 ASN 49 -16.689 -0.490 -3.670 349 HD21 ASN 49 HD21 ASN 49 -18.796 -0.311 -4.227 350 HD22 ASN 49 HD22 ASN 49 -20.110 -0.584 -3.121 351 HA PRO 50 HA PRO 50 -12.045 -1.336 -3.365 352 HB2 PRO 50 HB2 PRO 50 -10.673 -3.101 -1.856 353 HB3 PRO 50 HB1 PRO 50 -10.707 -1.377 -1.543 354 HG2 PRO 50 HG2 PRO 50 -12.219 -3.571 -0.230 355 HG3 PRO 50 HG1 PRO 50 -11.515 -2.113 0.479 356 HD2 PRO 50 HD2 PRO 50 -14.152 -2.373 -0.058 357 HD3 PRO 50 HD1 PRO 50 -13.305 -0.821 -0.077 358 H THR 51 HN THR 51 -11.784 -2.513 -5.051 359 HA THR 51 HA THR 51 -12.655 -5.318 -5.055 360 HB THR 51 HB THR 51 -14.165 -3.928 -6.383 361 HG1 THR 51 HG1 THR 51 -14.237 -5.419 -7.861 362 HG21 THR 51 HG21 THR 51 -13.394 -2.708 -8.358 363 HG22 THR 51 HG22 THR 51 -11.719 -3.114 -7.971 364 HG23 THR 51 HG23 THR 51 -12.652 -2.073 -6.889 365 H CYS 52 HN CYS 52 -11.272 -6.770 -6.286 366 HA CYS 52 HA CYS 52 -8.549 -5.777 -6.486 367 HB2 CYS 52 HB2 CYS 52 -9.322 -8.158 -5.699 368 HB3 CYS 52 HB1 CYS 52 -9.468 -8.494 -7.419 369 H ASP 53 HN ASP 53 -7.589 -5.268 -8.374 370 HA ASP 53 HA ASP 53 -8.100 -5.223 -10.955 371 HB2 ASP 53 HB2 ASP 53 -10.564 -5.109 -10.575 372 HB3 ASP 53 HB1 ASP 53 -10.346 -3.617 -9.676 373 H ILE 54 HN ILE 54 -8.854 -2.852 -8.432 374 HA ILE 54 HA ILE 54 -7.328 -0.773 -9.695 375 HB ILE 54 HB ILE 54 -8.407 -0.810 -6.879 376 HG12 ILE 54 HG12 ILE 54 -9.792 0.190 -9.381 377 HG13 ILE 54 HG11 ILE 54 -10.188 -1.307 -8.548 378 HG21 ILE 54 HG21 ILE 54 -6.709 0.901 -7.455 379 HG22 ILE 54 HG22 ILE 54 -8.284 1.589 -7.025 380 HG23 ILE 54 HG23 ILE 54 -7.795 1.502 -8.718 381 HD11 ILE 54 HD11 ILE 54 -10.833 -0.036 -6.570 382 HD12 ILE 54 HD12 ILE 54 -11.749 0.470 -7.991 383 HD13 ILE 54 HD13 ILE 54 -10.419 1.465 -7.397 384 H ASN 55 HN ASN 55 -5.214 -1.539 -9.780 385 HA ASN 55 HA ASN 55 -3.107 -1.962 -9.016 386 HB2 ASN 55 HB2 ASN 55 -3.748 0.318 -7.961 387 HB3 ASN 55 HB1 ASN 55 -3.889 -0.566 -6.466 388 HD21 ASN 55 HD21 ASN 55 -2.127 -0.871 -5.329 389 HD22 ASN 55 HD22 ASN 55 -0.509 -0.596 -5.863 390 H ASN 56 HN ASN 56 -4.935 -3.990 -8.689 391 HA ASN 56 HA ASN 56 -5.090 -6.066 -7.745 392 HB2 ASN 56 HB2 ASN 56 -2.937 -5.494 -5.744 393 HB3 ASN 56 HB1 ASN 56 -3.248 -6.974 -6.635 394 HD21 ASN 56 HD21 ASN 56 -1.006 -4.970 -6.152 395 HD22 ASN 56 HD22 ASN 56 -0.295 -4.832 -7.704 396 H GLY 57 HN GLY 57 -6.467 -3.688 -6.654 397 HA2 GLY 57 HA2 GLY 57 -8.146 -3.611 -5.026 398 HA3 GLY 57 HA1 GLY 57 -7.332 -4.911 -4.167 399 H GLY 58 HN GLY 58 -5.027 -2.721 -5.019 400 HA2 GLY 58 HA2 GLY 58 -4.469 -0.664 -3.831 401 HA3 GLY 58 HA1 GLY 58 -5.248 -1.359 -2.415 402 H CYS 59 HN CYS 59 -3.536 -3.613 -4.193 403 HA CYS 59 HA CYS 59 -1.424 -3.770 -2.164 404 HB2 CYS 59 HB2 CYS 59 -2.104 -5.880 -4.196 405 HB3 CYS 59 HB1 CYS 59 -1.296 -6.080 -2.645 406 H ASP 60 HN ASP 60 0.487 -5.026 -3.154 407 HA ASP 60 HA ASP 60 1.406 -3.589 -5.550 408 HB2 ASP 60 HB2 ASP 60 2.746 -3.701 -3.383 409 HB3 ASP 60 HB1 ASP 60 2.924 -5.424 -3.675 410 HA PRO 61 HA PRO 61 0.479 -7.014 -8.066 411 HB2 PRO 61 HB2 PRO 61 3.145 -6.739 -9.335 412 HB3 PRO 61 HB1 PRO 61 1.543 -6.658 -10.063 413 HG2 PRO 61 HG2 PRO 61 3.089 -4.485 -9.671 414 HG3 PRO 61 HG1 PRO 61 1.320 -4.430 -9.629 415 HD2 PRO 61 HD2 PRO 61 3.264 -4.280 -7.399 416 HD3 PRO 61 HD1 PRO 61 1.629 -3.621 -7.536 417 H THR 62 HN THR 62 3.386 -6.925 -6.223 418 HA THR 62 HA THR 62 3.938 -9.759 -6.565 419 HB THR 62 HB THR 62 5.881 -9.363 -5.189 420 HG1 THR 62 HG1 THR 62 5.145 -6.647 -4.801 421 HG21 THR 62 HG21 THR 62 5.374 -7.024 -7.037 422 HG22 THR 62 HG22 THR 62 6.032 -8.597 -7.504 423 HG23 THR 62 HG23 THR 62 6.962 -7.530 -6.447 424 H ALA 63 HN ALA 63 2.233 -7.615 -4.515 425 HA ALA 63 HA ALA 63 1.919 -9.465 -2.323 426 HB1 ALA 63 HB1 ALA 63 1.844 -7.069 -1.873 427 HB2 ALA 63 HB2 ALA 63 0.292 -7.809 -1.478 428 HB3 ALA 63 HB3 ALA 63 0.473 -6.879 -2.972 429 H SER 64 HN SER 64 0.663 -11.179 -2.479 430 HA SER 64 HA SER 64 -1.134 -11.722 -4.566 431 HB2 SER 64 HB2 SER 64 -0.097 -13.472 -3.168 432 HB3 SER 64 HB1 SER 64 -1.008 -12.899 -1.772 433 HG SER 64 HG SER 64 -1.921 -14.273 -4.060 434 H CYS 65 HN CYS 65 -3.030 -10.766 -4.955 435 HA CYS 65 HA CYS 65 -4.385 -9.365 -2.797 436 HB2 CYS 65 HB2 CYS 65 -4.284 -7.989 -4.698 437 HB3 CYS 65 HB1 CYS 65 -4.680 -9.322 -5.778 438 H GLN 66 HN GLN 66 -6.114 -9.955 -1.895 439 HA GLN 66 HA GLN 66 -7.831 -12.032 -3.088 440 HB2 GLN 66 HB2 GLN 66 -7.704 -11.683 -0.127 441 HB3 GLN 66 HB1 GLN 66 -8.067 -13.125 -1.058 442 HG2 GLN 66 HG2 GLN 66 -5.332 -12.029 -1.209 443 HG3 GLN 66 HG1 GLN 66 -5.814 -12.814 0.281 444 HE21 GLN 66 HE21 GLN 66 -6.224 -15.003 0.299 445 HE22 GLN 66 HE22 GLN 66 -5.778 -16.047 -1.012 446 H ASN 67 HN ASN 67 -9.819 -11.132 -3.486 447 HA ASN 67 HA ASN 67 -10.503 -8.728 -2.013 448 HB2 ASN 67 HB2 ASN 67 -12.597 -8.760 -3.469 449 HB3 ASN 67 HB1 ASN 67 -11.067 -8.402 -4.227 450 HD21 ASN 67 HD21 ASN 67 -13.546 -9.330 -5.358 451 HD22 ASN 67 HD22 ASN 67 -13.176 -10.806 -6.169 452 H ALA 68 HN ALA 68 -11.873 -8.545 -0.520 453 HA ALA 68 HA ALA 68 -13.691 -10.684 0.228 454 HB1 ALA 68 HB1 ALA 68 -11.687 -11.407 1.328 455 HB2 ALA 68 HB2 ALA 68 -12.780 -10.742 2.544 456 HB3 ALA 68 HB3 ALA 68 -11.407 -9.789 1.969 457 H GLU 69 HN GLU 69 -14.955 -9.972 2.219 458 HA GLU 69 HA GLU 69 -15.136 -7.048 2.324 459 HB2 GLU 69 HB2 GLU 69 -17.456 -8.963 2.399 460 HB3 GLU 69 HB1 GLU 69 -17.563 -7.216 2.547 461 HG2 GLU 69 HG2 GLU 69 -16.551 -7.051 0.269 462 HG3 GLU 69 HG1 GLU 69 -16.726 -8.801 0.139 463 H SER 70 HN SER 70 -14.502 -6.436 4.199 464 HA SER 70 HA SER 70 -15.433 -7.858 6.601 465 HB2 SER 70 HB2 SER 70 -12.976 -8.105 6.187 466 HB3 SER 70 HB1 SER 70 -12.818 -6.354 6.275 467 HG SER 70 HG SER 70 -13.141 -8.206 8.292 468 H THR 71 HN THR 71 -15.668 -6.427 8.479 469 HA THR 71 HA THR 71 -17.080 -4.060 7.903 470 HB THR 71 HB THR 71 -17.450 -5.344 9.952 471 HG1 THR 71 HG1 THR 71 -16.699 -2.627 10.137 472 HG21 THR 71 HG21 THR 71 -15.146 -6.036 10.363 473 HG22 THR 71 HG22 THR 71 -15.843 -5.274 11.794 474 HG23 THR 71 HG23 THR 71 -14.716 -4.376 10.779 475 H GLU 72 HN GLU 72 -13.750 -4.718 8.175 476 HA GLU 72 HA GLU 72 -13.068 -1.865 8.269 477 HB2 GLU 72 HB2 GLU 72 -11.218 -4.236 8.371 478 HB3 GLU 72 HB1 GLU 72 -10.806 -2.563 8.710 479 HG2 GLU 72 HG2 GLU 72 -12.286 -2.611 10.652 480 HG3 GLU 72 HG1 GLU 72 -12.644 -4.304 10.315 481 H ASN 73 HN ASN 73 -12.400 -0.860 6.455 482 HA ASN 73 HA ASN 73 -12.632 -2.134 3.937 483 HB2 ASN 73 HB2 ASN 73 -11.428 0.006 3.107 484 HB3 ASN 73 HB1 ASN 73 -13.032 0.154 3.809 485 HD21 ASN 73 HD21 ASN 73 -12.767 2.252 4.400 486 HD22 ASN 73 HD22 ASN 73 -11.709 2.762 5.672 487 H SER 74 HN SER 74 -9.909 -1.635 6.076 488 HA SER 74 HA SER 74 -7.990 -2.329 4.063 489 HB2 SER 74 HB2 SER 74 -7.408 -0.864 5.983 490 HB3 SER 74 HB1 SER 74 -7.654 -2.226 7.071 491 HG SER 74 HG SER 74 -5.448 -1.565 5.763 492 H LYS 75 HN LYS 75 -9.968 -4.009 6.340 493 HA LYS 75 HA LYS 75 -8.489 -6.490 6.090 494 HB2 LYS 75 HB2 LYS 75 -11.107 -5.802 7.428 495 HB3 LYS 75 HB1 LYS 75 -10.376 -7.402 7.456 496 HG2 LYS 75 HG2 LYS 75 -8.654 -5.183 8.321 497 HG3 LYS 75 HG1 LYS 75 -10.012 -5.580 9.376 498 HD2 LYS 75 HD2 LYS 75 -7.983 -7.566 8.357 499 HD3 LYS 75 HD1 LYS 75 -7.942 -6.808 9.950 500 HE2 LYS 75 HE2 LYS 75 -10.152 -7.758 10.445 501 HE3 LYS 75 HE1 LYS 75 -10.154 -8.545 8.867 502 HZ1 LYS 75 HZ1 LYS 75 -8.254 -9.071 11.090 503 HZ2 LYS 75 HZ2 LYS 75 -8.162 -9.781 9.555 504 HZ3 LYS 75 HZ3 LYS 75 -9.495 -10.093 10.559 505 H LYS 76 HN LYS 76 -10.300 -4.895 3.966 506 HA LYS 76 HA LYS 76 -11.994 -7.065 3.068 507 HB2 LYS 76 HB2 LYS 76 -11.424 -4.388 1.852 508 HB3 LYS 76 HB1 LYS 76 -12.556 -5.569 1.210 509 HG2 LYS 76 HG2 LYS 76 -13.837 -5.405 3.326 510 HG3 LYS 76 HG1 LYS 76 -12.738 -4.116 3.833 511 HD2 LYS 76 HD2 LYS 76 -13.315 -3.028 1.583 512 HD3 LYS 76 HD1 LYS 76 -14.666 -4.150 1.553 513 HE2 LYS 76 HE2 LYS 76 -14.135 -2.241 3.805 514 HE3 LYS 76 HE1 LYS 76 -15.171 -1.863 2.432 515 HZ1 LYS 76 HZ1 LYS 76 -15.601 -4.014 4.434 516 HZ2 LYS 76 HZ2 LYS 76 -16.519 -3.838 3.021 517 HZ3 LYS 76 HZ3 LYS 76 -16.544 -2.623 4.206 518 H ILE 77 HN ILE 77 -9.347 -5.153 1.695 519 HA ILE 77 HA ILE 77 -8.861 -7.269 -0.245 520 HB ILE 77 HB ILE 77 -7.546 -4.567 0.045 521 HG12 ILE 77 HG12 ILE 77 -9.894 -4.422 -0.645 522 HG13 ILE 77 HG11 ILE 77 -8.826 -3.987 -1.976 523 HG21 ILE 77 HG21 ILE 77 -7.277 -6.623 -2.143 524 HG22 ILE 77 HG22 ILE 77 -6.032 -6.176 -0.978 525 HG23 ILE 77 HG23 ILE 77 -6.586 -5.000 -2.173 526 HD11 ILE 77 HD11 ILE 77 -10.065 -6.703 -1.623 527 HD12 ILE 77 HD12 ILE 77 -9.161 -6.110 -3.022 528 HD13 ILE 77 HD13 ILE 77 -10.739 -5.418 -2.632 529 H ILE 78 HN ILE 78 -7.572 -8.812 0.251 530 HA ILE 78 HA ILE 78 -5.673 -8.470 2.439 531 HB ILE 78 HB ILE 78 -6.398 -10.998 0.947 532 HG12 ILE 78 HG12 ILE 78 -7.474 -11.518 3.251 533 HG13 ILE 78 HG11 ILE 78 -7.450 -9.777 3.489 534 HG21 ILE 78 HG21 ILE 78 -4.178 -11.064 1.924 535 HG22 ILE 78 HG22 ILE 78 -5.276 -12.145 2.784 536 HG23 ILE 78 HG23 ILE 78 -4.839 -10.587 3.487 537 HD11 ILE 78 HD11 ILE 78 -9.613 -10.574 2.649 538 HD12 ILE 78 HD12 ILE 78 -8.806 -11.198 1.208 539 HD13 ILE 78 HD13 ILE 78 -8.828 -9.462 1.524 540 H CYS 79 HN CYS 79 -3.811 -7.694 1.881 541 HA CYS 79 HA CYS 79 -2.591 -8.502 -0.660 542 HB2 CYS 79 HB2 CYS 79 -1.805 -6.191 1.120 543 HB3 CYS 79 HB1 CYS 79 -1.290 -6.478 -0.534 544 H THR 80 HN THR 80 -1.178 -10.080 -0.462 545 HA THR 80 HA THR 80 0.432 -10.273 1.999 546 HB THR 80 HB THR 80 -0.819 -12.466 0.348 547 HG1 THR 80 HG1 THR 80 -1.402 -11.203 2.690 548 HG21 THR 80 HG21 THR 80 1.225 -12.704 2.558 549 HG22 THR 80 HG22 THR 80 1.428 -13.178 0.868 550 HG23 THR 80 HG23 THR 80 0.291 -14.049 1.898 551 H CYS 81 HN CYS 81 2.540 -9.988 1.631 552 HA CYS 81 HA CYS 81 3.507 -10.022 -1.099 553 HB2 CYS 81 HB2 CYS 81 5.203 -9.500 1.339 554 HB3 CYS 81 HB1 CYS 81 5.408 -8.887 -0.296 555 H LYS 82 HN LYS 82 5.311 -11.278 -1.786 556 HA LYS 82 HA LYS 82 4.922 -14.016 -0.967 557 HB2 LYS 82 HB2 LYS 82 6.681 -12.930 -3.162 558 HB3 LYS 82 HB1 LYS 82 6.102 -14.581 -2.990 559 HG2 LYS 82 HG2 LYS 82 4.313 -12.207 -3.386 560 HG3 LYS 82 HG1 LYS 82 4.920 -13.215 -4.698 561 HD2 LYS 82 HD2 LYS 82 3.764 -15.130 -3.833 562 HD3 LYS 82 HD1 LYS 82 3.308 -14.252 -2.372 563 HE2 LYS 82 HE2 LYS 82 1.656 -13.116 -3.404 564 HE3 LYS 82 HE1 LYS 82 2.525 -13.029 -4.942 565 HZ1 LYS 82 HZ1 LYS 82 0.596 -14.430 -5.164 566 HZ2 LYS 82 HZ2 LYS 82 1.084 -15.400 -3.857 567 HZ3 LYS 82 HZ3 LYS 82 1.993 -15.388 -5.291 568 H GLU 83 HN GLU 83 7.076 -15.393 -1.397 569 HA GLU 83 HA GLU 83 8.554 -15.358 0.886 570 HB2 GLU 83 HB2 GLU 83 9.544 -16.372 -1.765 571 HB3 GLU 83 HB1 GLU 83 10.004 -16.939 -0.165 572 HG2 GLU 83 HG2 GLU 83 7.243 -17.117 -1.331 573 HG3 GLU 83 HG1 GLU 83 8.412 -18.417 -1.291 574 HA PRO 84 HA PRO 84 12.265 -13.092 -1.094 575 HB2 PRO 84 HB2 PRO 84 12.091 -11.838 -3.436 576 HB3 PRO 84 HB1 PRO 84 12.351 -13.586 -3.360 577 HG2 PRO 84 HG2 PRO 84 9.837 -12.064 -3.906 578 HG3 PRO 84 HG1 PRO 84 10.438 -13.543 -4.675 579 HD2 PRO 84 HD2 PRO 84 8.529 -13.483 -2.687 580 HD3 PRO 84 HD1 PRO 84 9.558 -14.877 -3.049 581 H THR 85 HN THR 85 9.266 -11.983 -0.627 582 HA THR 85 HA THR 85 10.164 -9.224 -0.208 583 HB THR 85 HB THR 85 8.075 -8.350 -0.950 584 HG1 THR 85 HG1 THR 85 7.088 -10.657 -0.194 585 HG21 THR 85 HG21 THR 85 7.850 -9.219 -3.258 586 HG22 THR 85 HG22 THR 85 8.911 -10.564 -2.824 587 HG23 THR 85 HG23 THR 85 9.525 -8.908 -2.796 588 HA PRO 86 HA PRO 86 8.837 -11.704 3.498 589 HB2 PRO 86 HB2 PRO 86 11.042 -10.310 4.822 590 HB3 PRO 86 HB1 PRO 86 10.778 -12.043 4.637 591 HG2 PRO 86 HG2 PRO 86 12.729 -10.722 3.334 592 HG3 PRO 86 HG1 PRO 86 11.881 -12.104 2.611 593 HD2 PRO 86 HD2 PRO 86 11.505 -9.172 2.131 594 HD3 PRO 86 HD1 PRO 86 11.503 -10.522 0.979 595 H ASN 87 HN ASN 87 8.722 -8.530 2.734 596 HA ASN 87 HA ASN 87 7.452 -7.735 5.223 597 HB2 ASN 87 HB2 ASN 87 9.554 -6.071 3.856 598 HB3 ASN 87 HB1 ASN 87 8.748 -5.724 5.367 599 HD21 ASN 87 HD21 ASN 87 11.207 -7.431 3.783 600 HD22 ASN 87 HD22 ASN 87 12.008 -8.093 5.166 601 H ALA 88 HN ALA 88 6.603 -5.357 4.819 602 HA ALA 88 HA ALA 88 5.779 -5.068 2.017 603 HB1 ALA 88 HB1 ALA 88 3.895 -5.031 4.369 604 HB2 ALA 88 HB2 ALA 88 3.987 -6.275 3.120 605 HB3 ALA 88 HB3 ALA 88 3.470 -4.641 2.704 606 H TYR 89 HN TYR 89 5.485 -3.004 1.336 607 HA TYR 89 HA TYR 89 6.328 -0.810 3.002 608 HB2 TYR 89 HB2 TYR 89 4.844 -0.591 0.371 609 HB3 TYR 89 HB1 TYR 89 5.924 0.592 1.065 610 HD1 TYR 89 HD1 TYR 89 8.036 -1.887 1.619 611 HD2 TYR 89 HD2 TYR 89 5.988 -0.219 -1.704 612 HE1 TYR 89 HE1 TYR 89 9.837 -2.624 0.125 613 HE2 TYR 89 HE2 TYR 89 7.762 -0.957 -3.201 614 HH TYR 89 HH TYR 89 10.045 -1.521 -3.155 615 H TYR 90 HN TYR 90 4.997 -0.308 4.633 616 HA TYR 90 HA TYR 90 3.175 0.166 5.872 617 HB2 TYR 90 HB2 TYR 90 2.551 1.341 3.445 618 HB3 TYR 90 HB1 TYR 90 1.138 0.352 3.791 619 HD1 TYR 90 HD1 TYR 90 2.674 3.446 4.365 620 HD2 TYR 90 HD2 TYR 90 0.209 0.558 6.258 621 HE1 TYR 90 HE1 TYR 90 1.931 5.147 5.958 622 HE2 TYR 90 HE2 TYR 90 -0.565 2.260 7.858 623 HH TYR 90 HH TYR 90 -0.022 5.568 7.429 624 H GLU 91 HN GLU 91 0.455 -0.777 4.370 625 HA GLU 91 HA GLU 91 0.371 -3.101 6.090 626 HB2 GLU 91 HB2 GLU 91 -1.903 -2.282 4.313 627 HB3 GLU 91 HB1 GLU 91 -1.952 -3.036 5.898 628 HG2 GLU 91 HG2 GLU 91 -0.896 -0.792 6.693 629 HG3 GLU 91 HG1 GLU 91 -1.540 -0.181 5.167 630 H GLY 92 HN GLY 92 1.540 -2.842 3.077 631 HA2 GLY 92 HA2 GLY 92 1.977 -4.913 1.827 632 HA3 GLY 92 HA1 GLY 92 0.311 -5.375 2.167 633 H VAL 93 HN VAL 93 0.415 -2.145 1.688 634 HA VAL 93 HA VAL 93 -0.988 -2.063 -0.709 635 HB VAL 93 HB VAL 93 0.770 0.138 0.423 636 HG11 VAL 93 HG11 VAL 93 -0.953 1.618 -0.537 637 HG12 VAL 93 HG12 VAL 93 -1.698 0.201 -1.275 638 HG13 VAL 93 HG13 VAL 93 -0.062 0.678 -1.736 639 HG21 VAL 93 HG21 VAL 93 -2.038 -0.612 1.233 640 HG22 VAL 93 HG22 VAL 93 -1.200 0.863 1.724 641 HG23 VAL 93 HG23 VAL 93 -0.586 -0.713 2.233 642 H PHE 94 HN PHE 94 2.398 -2.016 0.026 643 HA PHE 94 HA PHE 94 2.984 -2.757 -2.684 644 HB2 PHE 94 HB2 PHE 94 5.116 -1.074 -2.227 645 HB3 PHE 94 HB1 PHE 94 3.798 -0.775 -3.335 646 HD1 PHE 94 HD1 PHE 94 2.334 -0.273 -0.171 647 HD2 PHE 94 HD2 PHE 94 5.196 1.444 -2.804 648 HE1 PHE 94 HE1 PHE 94 2.001 1.907 0.897 649 HE2 PHE 94 HE2 PHE 94 4.858 3.631 -1.740 650 HZ PHE 94 HZ PHE 94 3.259 3.868 0.112 651 H CYS 95 HN CYS 95 5.154 -3.805 -2.844 652 HA CYS 95 HA CYS 95 6.419 -4.436 -0.277 653 HB2 CYS 95 HB2 CYS 95 5.797 -6.749 -2.105 654 HB3 CYS 95 HB1 CYS 95 6.224 -6.768 -0.394 655 H SER 96 HN SER 96 8.529 -5.695 -0.656 656 HA SER 96 HA SER 96 9.764 -4.635 -3.122 657 HB2 SER 96 HB2 SER 96 10.516 -3.644 -0.911 658 HB3 SER 96 HB1 SER 96 11.207 -5.217 -0.539 659 HG SER 96 HG SER 96 11.871 -3.540 -2.729 660 H SER 97 HN SER 97 10.439 -6.100 -4.515 661 HA SER 97 HA SER 97 11.108 -8.780 -3.549 662 HB2 SER 97 HB2 SER 97 10.886 -7.799 -6.396 663 HB3 SER 97 HB1 SER 97 11.022 -9.471 -5.864 664 HG SER 97 HG SER 97 8.917 -8.025 -4.786 665 H SER 98 HN SER 98 12.980 -7.512 -2.597 666 HA SER 98 HA SER 98 15.321 -7.885 -4.246 667 HB2 SER 98 HB2 SER 98 14.743 -5.132 -3.114 668 HB3 SER 98 HB1 SER 98 16.153 -5.608 -4.060 669 HG SER 98 HG SER 98 14.053 -6.271 -5.486 670 H SER 99 HN SER 99 14.533 -9.224 -1.928 671 HA SER 99 HA SER 99 16.165 -8.012 0.194 672 HB2 SER 99 HB2 SER 99 14.943 -9.499 1.761 673 HB3 SER 99 HB1 SER 99 13.857 -8.465 0.843 674 HG SER 99 HG SER 99 13.343 -10.213 -0.483 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 16.470 -2.817 -4.743 2 H2 GLY 1 HT2 GLY 1 15.182 -2.089 -3.903 3 H3 GLY 1 HT3 GLY 1 14.970 -2.605 -5.501 4 HA2 GLY 1 HA2 GLY 1 15.093 -4.867 -4.925 5 HA3 GLY 1 HA1 GLY 1 13.969 -4.101 -3.812 6 H VAL 2 HN VAL 2 14.161 -5.095 -1.932 7 HA VAL 2 HA VAL 2 16.299 -6.572 -0.963 8 HB VAL 2 HB VAL 2 17.405 -4.276 -0.889 9 HG11 VAL 2 HG11 VAL 2 15.567 -2.908 -0.212 10 HG12 VAL 2 HG12 VAL 2 16.786 -2.852 1.065 11 HG13 VAL 2 HG13 VAL 2 15.341 -3.849 1.265 12 HG21 VAL 2 HG21 VAL 2 18.609 -4.769 1.043 13 HG22 VAL 2 HG22 VAL 2 17.955 -6.337 0.557 14 HG23 VAL 2 HG23 VAL 2 17.199 -5.429 1.866 15 H ASP 3 HN ASP 3 15.969 -6.736 1.648 16 HA ASP 3 HA ASP 3 13.443 -7.405 2.392 17 HB2 ASP 3 HB2 ASP 3 15.686 -6.182 3.966 18 HB3 ASP 3 HB1 ASP 3 14.160 -6.554 4.727 19 HA PRO 4 HA PRO 4 11.312 -3.598 1.522 20 HB2 PRO 4 HB2 PRO 4 9.010 -4.608 2.797 21 HB3 PRO 4 HB1 PRO 4 9.356 -4.554 1.075 22 HG2 PRO 4 HG2 PRO 4 9.602 -6.773 2.986 23 HG3 PRO 4 HG1 PRO 4 9.350 -6.820 1.237 24 HD2 PRO 4 HD2 PRO 4 11.682 -7.479 2.412 25 HD3 PRO 4 HD1 PRO 4 11.601 -6.754 0.802 26 H LYS 5 HN LYS 5 12.326 -4.532 4.599 27 HA LYS 5 HA LYS 5 10.599 -2.792 6.075 28 HB2 LYS 5 HB2 LYS 5 12.311 -3.181 7.942 29 HB3 LYS 5 HB1 LYS 5 11.376 -4.548 7.373 30 HG2 LYS 5 HG2 LYS 5 13.617 -5.284 7.676 31 HG3 LYS 5 HG1 LYS 5 13.338 -5.181 5.939 32 HD2 LYS 5 HD2 LYS 5 14.481 -3.017 5.880 33 HD3 LYS 5 HD1 LYS 5 14.738 -3.104 7.624 34 HE2 LYS 5 HE2 LYS 5 15.806 -5.108 5.639 35 HE3 LYS 5 HE1 LYS 5 16.727 -3.739 6.258 36 HZ1 LYS 5 HZ1 LYS 5 15.600 -5.953 7.896 37 HZ2 LYS 5 HZ2 LYS 5 16.484 -4.636 8.493 38 HZ3 LYS 5 HZ3 LYS 5 17.229 -5.765 7.467 39 H HIS 6 HN HIS 6 12.450 -1.615 3.887 40 HA HIS 6 HA HIS 6 14.394 -0.125 5.336 41 HB2 HIS 6 HB2 HIS 6 14.185 1.254 2.977 42 HB3 HIS 6 HB1 HIS 6 15.297 -0.071 3.293 43 HD1 HIS 6 HD1 HIS 6 13.681 -2.530 2.636 44 HD2 HIS 6 HD2 HIS 6 13.314 1.072 0.640 45 HE1 HIS 6 HE1 HIS 6 12.621 -3.071 0.402 46 HE2 HIS 6 HE2 HIS 6 12.590 -0.914 -0.850 47 H VAL 7 HN VAL 7 11.132 0.332 5.016 48 HA VAL 7 HA VAL 7 9.618 1.958 5.328 49 HB VAL 7 HB VAL 7 9.785 3.313 7.185 50 HG11 VAL 7 HG11 VAL 7 9.792 0.999 7.755 51 HG12 VAL 7 HG12 VAL 7 10.828 1.858 8.894 52 HG13 VAL 7 HG13 VAL 7 11.545 0.909 7.592 53 HG21 VAL 7 HG21 VAL 7 12.791 3.197 6.989 54 HG22 VAL 7 HG22 VAL 7 11.870 3.998 8.264 55 HG23 VAL 7 HG23 VAL 7 11.767 4.583 6.599 56 H CYS 8 HN CYS 8 9.015 4.268 5.192 57 HA CYS 8 HA CYS 8 10.368 5.344 2.816 58 HB2 CYS 8 HB2 CYS 8 8.124 5.839 2.050 59 HB3 CYS 8 HB1 CYS 8 8.203 4.172 2.531 60 H VAL 9 HN VAL 9 10.336 7.561 2.491 61 HA VAL 9 HA VAL 9 9.010 9.372 4.261 62 HB VAL 9 HB VAL 9 11.210 10.700 4.543 63 HG11 VAL 9 HG11 VAL 9 10.000 9.712 6.433 64 HG12 VAL 9 HG12 VAL 9 11.748 9.612 6.659 65 HG13 VAL 9 HG13 VAL 9 10.840 8.183 6.156 66 HG21 VAL 9 HG21 VAL 9 12.373 7.941 4.214 67 HG22 VAL 9 HG22 VAL 9 13.253 9.409 4.653 68 HG23 VAL 9 HG23 VAL 9 12.528 9.255 3.047 69 H ASP 10 HN ASP 10 8.007 10.179 2.447 70 HA ASP 10 HA ASP 10 9.755 11.625 0.602 71 HB2 ASP 10 HB2 ASP 10 8.942 9.726 -0.610 72 HB3 ASP 10 HB1 ASP 10 7.300 10.037 -0.094 73 H THR 11 HN THR 11 8.661 13.473 -0.435 74 HA THR 11 HA THR 11 7.142 15.094 -0.738 75 HB THR 11 HB THR 11 5.824 12.643 -0.049 76 HG1 THR 11 HG1 THR 11 5.738 12.996 -2.104 77 HG21 THR 11 HG21 THR 11 3.524 13.646 0.079 78 HG22 THR 11 HG22 THR 11 4.315 15.162 0.535 79 HG23 THR 11 HG23 THR 11 4.508 13.721 1.542 80 H ARG 12 HN ARG 12 5.548 16.608 0.411 81 HA ARG 12 HA ARG 12 6.798 17.492 2.828 82 HB2 ARG 12 HB2 ARG 12 4.167 18.567 2.019 83 HB3 ARG 12 HB1 ARG 12 5.571 19.411 2.625 84 HG2 ARG 12 HG2 ARG 12 5.125 18.395 -0.166 85 HG3 ARG 12 HG1 ARG 12 5.190 20.073 0.365 86 HD2 ARG 12 HD2 ARG 12 7.578 19.560 1.119 87 HD3 ARG 12 HD1 ARG 12 7.431 18.077 0.164 88 HE ARG 12 HE ARG 12 7.151 20.805 -0.952 89 HH11 ARG 12 HH11 ARG 12 8.181 17.461 -1.264 90 HH12 ARG 12 HH12 ARG 12 8.794 17.682 -2.867 91 HH21 ARG 12 HH21 ARG 12 7.959 21.075 -3.050 92 HH22 ARG 12 HH22 ARG 12 8.665 19.726 -3.886 93 H ASP 13 HN ASP 13 3.749 16.041 1.916 94 HA ASP 13 HA ASP 13 3.410 14.861 4.529 95 HB2 ASP 13 HB2 ASP 13 2.452 17.149 4.791 96 HB3 ASP 13 HB1 ASP 13 1.324 16.796 3.491 97 H ILE 14 HN ILE 14 3.389 12.876 3.523 98 HA ILE 14 HA ILE 14 1.783 12.179 1.297 99 HB ILE 14 HB ILE 14 2.879 10.470 3.543 100 HG12 ILE 14 HG12 ILE 14 3.924 10.090 0.862 101 HG13 ILE 14 HG11 ILE 14 4.104 11.756 1.405 102 HG21 ILE 14 HG21 ILE 14 1.039 9.225 2.697 103 HG22 ILE 14 HG22 ILE 14 2.511 8.555 1.956 104 HG23 ILE 14 HG23 ILE 14 1.458 9.635 1.031 105 HD11 ILE 14 HD11 ILE 14 6.061 10.454 1.927 106 HD12 ILE 14 HD12 ILE 14 5.073 9.307 2.844 107 HD13 ILE 14 HD13 ILE 14 5.244 10.977 3.398 108 HA PRO 15 HA PRO 15 -2.208 12.765 2.708 109 HB2 PRO 15 HB2 PRO 15 -2.812 10.233 1.261 110 HB3 PRO 15 HB1 PRO 15 -3.579 11.809 1.130 111 HG2 PRO 15 HG2 PRO 15 -1.944 11.060 -0.750 112 HG3 PRO 15 HG1 PRO 15 -1.810 12.704 -0.103 113 HD2 PRO 15 HD2 PRO 15 -0.166 10.290 0.518 114 HD3 PRO 15 HD1 PRO 15 0.380 11.930 0.185 115 H LYS 16 HN LYS 16 -3.549 12.201 4.381 116 HA LYS 16 HA LYS 16 -3.133 9.911 5.966 117 HB2 LYS 16 HB2 LYS 16 -4.378 11.957 6.651 118 HB3 LYS 16 HB1 LYS 16 -5.679 11.481 5.576 119 HG2 LYS 16 HG2 LYS 16 -5.985 9.435 6.882 120 HG3 LYS 16 HG1 LYS 16 -4.707 9.968 7.979 121 HD2 LYS 16 HD2 LYS 16 -6.309 10.992 9.143 122 HD3 LYS 16 HD1 LYS 16 -6.365 12.149 7.807 123 HE2 LYS 16 HE2 LYS 16 -8.601 11.420 8.220 124 HE3 LYS 16 HE1 LYS 16 -8.068 10.682 6.713 125 HZ1 LYS 16 HZ1 LYS 16 -9.221 9.054 8.006 126 HZ2 LYS 16 HZ2 LYS 16 -8.268 9.367 9.369 127 HZ3 LYS 16 HZ3 LYS 16 -7.576 8.637 8.010 128 H ASN 17 HN ASN 17 -4.469 7.995 6.013 129 HA ASN 17 HA ASN 17 -5.384 6.159 5.021 130 HB2 ASN 17 HB2 ASN 17 -6.497 7.881 2.809 131 HB3 ASN 17 HB1 ASN 17 -7.145 6.386 3.451 132 HD21 ASN 17 HD21 ASN 17 -6.839 9.765 3.838 133 HD22 ASN 17 HD22 ASN 17 -8.120 9.972 4.999 134 H ALA 18 HN ALA 18 -2.967 7.920 3.919 135 HA ALA 18 HA ALA 18 -2.395 6.063 1.705 136 HB1 ALA 18 HB1 ALA 18 -1.447 8.922 1.910 137 HB2 ALA 18 HB2 ALA 18 -2.738 8.344 0.858 138 HB3 ALA 18 HB3 ALA 18 -1.084 7.783 0.612 139 H GLY 19 HN GLY 19 -0.234 5.496 1.414 140 HA2 GLY 19 HA2 GLY 19 1.621 6.152 3.598 141 HA3 GLY 19 HA1 GLY 19 1.360 4.465 3.157 142 H CYS 20 HN CYS 20 3.855 5.519 3.066 143 HA CYS 20 HA CYS 20 4.356 6.137 0.257 144 HB2 CYS 20 HB2 CYS 20 6.399 7.305 1.128 145 HB3 CYS 20 HB1 CYS 20 4.880 8.052 1.539 146 H PHE 21 HN PHE 21 6.225 5.333 -0.692 147 HA PHE 21 HA PHE 21 7.592 3.282 0.883 148 HB2 PHE 21 HB2 PHE 21 5.957 2.283 -0.689 149 HB3 PHE 21 HB1 PHE 21 6.900 2.933 -2.024 150 HD1 PHE 21 HD1 PHE 21 9.532 2.540 -0.754 151 HD2 PHE 21 HD2 PHE 21 6.290 -0.091 -1.129 152 HE1 PHE 21 HE1 PHE 21 11.082 0.672 -0.475 153 HE2 PHE 21 HE2 PHE 21 7.808 -2.012 -0.864 154 HZ PHE 21 HZ PHE 21 10.247 -1.595 -0.492 155 H ARG 22 HN ARG 22 9.639 3.544 0.979 156 HA ARG 22 HA ARG 22 11.004 5.056 -1.140 157 HB2 ARG 22 HB2 ARG 22 10.925 6.311 1.005 158 HB3 ARG 22 HB1 ARG 22 11.745 4.971 1.791 159 HG2 ARG 22 HG2 ARG 22 13.724 5.391 0.726 160 HG3 ARG 22 HG1 ARG 22 12.964 6.239 -0.606 161 HD2 ARG 22 HD2 ARG 22 12.319 7.772 1.574 162 HD3 ARG 22 HD1 ARG 22 13.962 7.227 1.937 163 HE ARG 22 HE ARG 22 13.428 8.260 -0.729 164 HH11 ARG 22 HH11 ARG 22 14.866 8.719 2.436 165 HH12 ARG 22 HH12 ARG 22 15.844 10.072 1.944 166 HH21 ARG 22 HH21 ARG 22 14.711 10.070 -1.376 167 HH22 ARG 22 HH22 ARG 22 15.750 10.837 -0.211 168 H ASP 23 HN ASP 23 12.062 3.566 -2.307 169 HA ASP 23 HA ASP 23 12.740 1.084 -0.972 170 HB2 ASP 23 HB2 ASP 23 11.743 1.174 -3.330 171 HB3 ASP 23 HB1 ASP 23 13.381 1.572 -3.854 172 H ASP 24 HN ASP 24 14.974 0.157 -2.075 173 HA ASP 24 HA ASP 24 16.911 1.234 -0.411 174 HB2 ASP 24 HB2 ASP 24 17.056 -1.006 -1.122 175 HB3 ASP 24 HB1 ASP 24 17.070 -0.539 -2.818 176 H ASP 25 HN ASP 25 16.224 1.979 -3.776 177 HA ASP 25 HA ASP 25 18.646 3.454 -4.209 178 HB2 ASP 25 HB2 ASP 25 16.062 3.381 -5.780 179 HB3 ASP 25 HB1 ASP 25 17.537 4.175 -6.314 180 H GLY 26 HN GLY 26 16.118 4.181 -2.272 181 HA2 GLY 26 HA2 GLY 26 15.656 6.214 -1.214 182 HA3 GLY 26 HA1 GLY 26 16.592 7.049 -2.447 183 H THR 27 HN THR 27 14.847 5.126 -4.228 184 HA THR 27 HA THR 27 13.113 6.964 -5.345 185 HB THR 27 HB THR 27 12.565 4.025 -5.224 186 HG1 THR 27 HG1 THR 27 14.359 5.188 -7.095 187 HG21 THR 27 HG21 THR 27 11.836 4.338 -7.549 188 HG22 THR 27 HG22 THR 27 12.251 6.049 -7.446 189 HG23 THR 27 HG23 THR 27 10.946 5.397 -6.453 190 H GLU 28 HN GLU 28 11.031 7.581 -4.987 191 HA GLU 28 HA GLU 28 9.694 6.301 -2.747 192 HB2 GLU 28 HB2 GLU 28 10.825 8.959 -2.795 193 HB3 GLU 28 HB1 GLU 28 9.126 8.931 -2.303 194 HG2 GLU 28 HG2 GLU 28 10.979 6.902 -1.233 195 HG3 GLU 28 HG1 GLU 28 11.031 8.508 -0.550 196 H GLU 29 HN GLU 29 7.601 6.320 -2.612 197 HA GLU 29 HA GLU 29 5.924 7.528 -4.633 198 HB2 GLU 29 HB2 GLU 29 6.553 5.621 -5.937 199 HB3 GLU 29 HB1 GLU 29 6.439 4.551 -4.545 200 HG2 GLU 29 HG2 GLU 29 4.077 4.649 -4.552 201 HG3 GLU 29 HG1 GLU 29 4.059 5.959 -5.723 202 H TRP 30 HN TRP 30 4.041 8.008 -3.594 203 HA TRP 30 HA TRP 30 3.465 6.294 -1.309 204 HB2 TRP 30 HB2 TRP 30 2.099 8.056 -0.356 205 HB3 TRP 30 HB1 TRP 30 3.732 8.631 -0.659 206 HD1 TRP 30 HD TRP 30 3.940 10.834 -1.937 207 HE1 TRP 30 HE1 TRP 30 2.275 12.405 -3.129 208 HE3 TRP 30 HE3 TRP 30 -0.154 7.809 -1.880 209 HZ2 TRP 30 HZ2 TRP 30 -0.437 12.346 -3.919 210 HZ3 TRP 30 HZ3 TRP 30 -2.253 8.646 -2.876 211 HH2 TRP 30 HH TRP 30 -2.376 10.869 -3.878 212 H ARG 31 HN ARG 31 1.336 5.690 -0.920 213 HA ARG 31 HA ARG 31 -0.329 5.411 -3.323 214 HB2 ARG 31 HB2 ARG 31 0.656 3.179 -1.559 215 HB3 ARG 31 HB1 ARG 31 -0.682 3.007 -2.676 216 HG2 ARG 31 HG2 ARG 31 1.039 3.758 -4.464 217 HG3 ARG 31 HG1 ARG 31 2.230 3.299 -3.241 218 HD2 ARG 31 HD2 ARG 31 0.747 1.141 -3.068 219 HD3 ARG 31 HD1 ARG 31 0.244 1.613 -4.686 220 HE ARG 31 HE ARG 31 2.952 0.843 -3.863 221 HH11 ARG 31 HH11 ARG 31 0.713 1.706 -6.407 222 HH12 ARG 31 HH12 ARG 31 1.623 0.913 -7.660 223 HH21 ARG 31 HH21 ARG 31 4.136 -0.248 -5.501 224 HH22 ARG 31 HH22 ARG 31 3.575 -0.191 -7.137 225 H CYS 32 HN CYS 32 -2.285 3.960 -2.502 226 HA CYS 32 HA CYS 32 -3.342 5.396 -0.154 227 HB2 CYS 32 HB2 CYS 32 -4.857 4.198 -2.493 228 HB3 CYS 32 HB1 CYS 32 -5.557 5.120 -1.168 229 H LEU 33 HN LEU 33 -4.081 4.246 1.482 230 HA LEU 33 HA LEU 33 -3.013 1.711 1.852 231 HB2 LEU 33 HB2 LEU 33 -5.235 2.989 3.414 232 HB3 LEU 33 HB1 LEU 33 -4.205 1.693 3.973 233 HG LEU 33 HG LEU 33 -3.557 4.593 3.575 234 HD11 LEU 33 HD11 LEU 33 -4.460 3.974 5.717 235 HD12 LEU 33 HD12 LEU 33 -2.754 4.392 5.881 236 HD13 LEU 33 HD13 LEU 33 -3.254 2.698 5.888 237 HD21 LEU 33 HD21 LEU 33 -1.785 3.215 2.510 238 HD22 LEU 33 HD22 LEU 33 -1.496 2.464 4.083 239 HD23 LEU 33 HD23 LEU 33 -1.246 4.204 3.869 240 H LEU 34 HN LEU 34 -4.375 -0.118 2.773 241 HA LEU 34 HA LEU 34 -5.564 -1.252 0.528 242 HB2 LEU 34 HB2 LEU 34 -5.572 -2.264 3.359 243 HB3 LEU 34 HB1 LEU 34 -5.757 -3.217 1.896 244 HG LEU 34 HG LEU 34 -3.287 -1.734 2.778 245 HD11 LEU 34 HD11 LEU 34 -2.281 -3.931 2.877 246 HD12 LEU 34 HD12 LEU 34 -3.813 -4.677 2.407 247 HD13 LEU 34 HD13 LEU 34 -3.673 -3.828 3.951 248 HD21 LEU 34 HD21 LEU 34 -2.237 -2.596 0.767 249 HD22 LEU 34 HD22 LEU 34 -3.612 -1.562 0.368 250 HD23 LEU 34 HD23 LEU 34 -3.767 -3.314 0.261 251 H GLY 35 HN GLY 35 -7.568 -1.361 -0.131 252 HA2 GLY 35 HA2 GLY 35 -9.885 -1.457 -0.013 253 HA3 GLY 35 HA1 GLY 35 -9.791 -1.140 1.714 254 H TYR 36 HN TYR 36 -7.861 0.982 0.031 255 HA TYR 36 HA TYR 36 -9.941 3.090 0.079 256 HB2 TYR 36 HB2 TYR 36 -6.946 3.377 0.424 257 HB3 TYR 36 HB1 TYR 36 -8.128 4.679 0.454 258 HD1 TYR 36 HD1 TYR 36 -6.572 4.879 2.575 259 HD2 TYR 36 HD2 TYR 36 -9.664 2.015 2.119 260 HE1 TYR 36 HE1 TYR 36 -6.726 4.645 5.023 261 HE2 TYR 36 HE2 TYR 36 -9.827 1.772 4.558 262 HH TYR 36 HH TYR 36 -8.251 2.131 6.542 263 H LYS 37 HN LYS 37 -8.760 5.044 -1.204 264 HA LYS 37 HA LYS 37 -7.824 4.185 -3.751 265 HB2 LYS 37 HB2 LYS 37 -9.789 4.744 -4.958 266 HB3 LYS 37 HB1 LYS 37 -10.173 3.496 -3.850 267 HG2 LYS 37 HG2 LYS 37 -11.061 6.321 -4.021 268 HG3 LYS 37 HG1 LYS 37 -11.981 4.817 -3.862 269 HD2 LYS 37 HD2 LYS 37 -11.423 4.631 -1.669 270 HD3 LYS 37 HD1 LYS 37 -10.326 6.002 -1.769 271 HE2 LYS 37 HE2 LYS 37 -12.532 6.632 -0.838 272 HE3 LYS 37 HE1 LYS 37 -12.131 7.474 -2.324 273 HZ1 LYS 37 HZ1 LYS 37 -14.475 6.585 -2.099 274 HZ2 LYS 37 HZ2 LYS 37 -13.817 5.046 -2.337 275 HZ3 LYS 37 HZ3 LYS 37 -13.656 6.227 -3.539 276 H LYS 38 HN LYS 38 -8.071 6.111 -5.347 277 HA LYS 38 HA LYS 38 -6.809 8.332 -3.952 278 HB2 LYS 38 HB2 LYS 38 -5.921 7.170 -6.076 279 HB3 LYS 38 HB1 LYS 38 -7.163 8.077 -6.924 280 HG2 LYS 38 HG2 LYS 38 -5.154 9.307 -7.107 281 HG3 LYS 38 HG1 LYS 38 -6.183 10.163 -5.959 282 HD2 LYS 38 HD2 LYS 38 -4.198 10.186 -4.819 283 HD3 LYS 38 HD1 LYS 38 -4.900 8.682 -4.208 284 HE2 LYS 38 HE2 LYS 38 -3.071 8.763 -6.591 285 HE3 LYS 38 HE1 LYS 38 -2.459 8.622 -4.947 286 HZ1 LYS 38 HZ1 LYS 38 -4.144 6.702 -6.450 287 HZ2 LYS 38 HZ2 LYS 38 -3.966 6.619 -4.766 288 HZ3 LYS 38 HZ3 LYS 38 -2.611 6.451 -5.765 289 H GLY 39 HN GLY 39 -7.644 10.312 -3.698 290 HA2 GLY 39 HA2 GLY 39 -10.417 10.666 -4.585 291 HA3 GLY 39 HA1 GLY 39 -9.627 11.537 -3.280 292 H GLU 40 HN GLU 40 -8.888 13.507 -3.672 293 HA GLU 40 HA GLU 40 -9.387 14.659 -6.269 294 HB2 GLU 40 HB2 GLU 40 -8.828 16.799 -5.141 295 HB3 GLU 40 HB1 GLU 40 -10.083 15.892 -4.309 296 HG2 GLU 40 HG2 GLU 40 -8.430 15.098 -2.687 297 HG3 GLU 40 HG1 GLU 40 -7.176 16.010 -3.527 298 H GLY 41 HN GLY 41 -7.455 12.976 -6.833 299 HA2 GLY 41 HA2 GLY 41 -5.558 13.198 -8.199 300 HA3 GLY 41 HA1 GLY 41 -5.281 14.791 -7.508 301 H ASN 42 HN ASN 42 -4.360 14.897 -5.338 302 HA ASN 42 HA ASN 42 -2.501 12.651 -4.960 303 HB2 ASN 42 HB2 ASN 42 -1.013 14.253 -3.819 304 HB3 ASN 42 HB1 ASN 42 -1.377 14.758 -5.466 305 HD21 ASN 42 HD21 ASN 42 -1.737 15.459 -2.105 306 HD22 ASN 42 HD22 ASN 42 -2.429 17.037 -2.290 307 H THR 43 HN THR 43 -5.010 12.309 -3.936 308 HA THR 43 HA THR 43 -4.432 12.352 -1.069 309 HB THR 43 HB THR 43 -6.952 12.685 -0.728 310 HG1 THR 43 HG1 THR 43 -6.865 14.177 -3.088 311 HG21 THR 43 HG21 THR 43 -5.175 14.918 -1.692 312 HG22 THR 43 HG22 THR 43 -5.312 14.307 -0.041 313 HG23 THR 43 HG23 THR 43 -6.677 15.139 -0.791 314 H CYS 44 HN CYS 44 -5.134 10.604 0.071 315 HA CYS 44 HA CYS 44 -6.480 8.518 -1.499 316 HB2 CYS 44 HB2 CYS 44 -4.593 8.222 0.839 317 HB3 CYS 44 HB1 CYS 44 -5.434 6.890 0.038 318 H VAL 45 HN VAL 45 -8.278 7.642 -0.773 319 HA VAL 45 HA VAL 45 -9.365 8.634 1.763 320 HB VAL 45 HB VAL 45 -11.569 8.837 0.377 321 HG11 VAL 45 HG11 VAL 45 -9.301 10.819 0.120 322 HG12 VAL 45 HG12 VAL 45 -10.464 10.724 1.446 323 HG13 VAL 45 HG13 VAL 45 -11.001 11.187 -0.170 324 HG21 VAL 45 HG21 VAL 45 -10.584 7.851 -1.703 325 HG22 VAL 45 HG22 VAL 45 -9.506 9.245 -1.809 326 HG23 VAL 45 HG23 VAL 45 -11.249 9.468 -1.954 327 H GLU 46 HN GLU 46 -11.357 7.408 2.352 328 HA GLU 46 HA GLU 46 -10.731 4.620 2.141 329 HB2 GLU 46 HB2 GLU 46 -12.746 6.268 3.594 330 HB3 GLU 46 HB1 GLU 46 -12.963 4.527 3.504 331 HG2 GLU 46 HG2 GLU 46 -10.699 4.249 4.481 332 HG3 GLU 46 HG1 GLU 46 -10.625 6.002 4.684 333 H ASN 47 HN ASN 47 -11.396 3.319 0.586 334 HA ASN 47 HA ASN 47 -13.296 4.221 -1.362 335 HB2 ASN 47 HB2 ASN 47 -11.339 3.012 -2.093 336 HB3 ASN 47 HB1 ASN 47 -11.732 1.659 -1.099 337 HD21 ASN 47 HD21 ASN 47 -11.107 1.337 -3.628 338 HD22 ASN 47 HD22 ASN 47 -12.485 0.871 -4.558 339 H ASN 48 HN ASN 48 -13.193 1.507 0.933 340 HA ASN 48 HA ASN 48 -14.825 0.557 2.190 341 HB2 ASN 48 HB2 ASN 48 -16.392 2.896 1.148 342 HB3 ASN 48 HB1 ASN 48 -17.179 1.634 2.095 343 HD21 ASN 48 HD21 ASN 48 -13.865 2.461 2.657 344 HD22 ASN 48 HD22 ASN 48 -14.096 3.202 4.196 345 H ASN 49 HN ASN 49 -15.263 1.006 -1.181 346 HA ASN 49 HA ASN 49 -16.433 -1.692 -1.276 347 HB2 ASN 49 HB2 ASN 49 -18.043 0.130 -1.974 348 HB3 ASN 49 HB1 ASN 49 -16.933 0.499 -3.287 349 HD21 ASN 49 HD21 ASN 49 -16.970 -0.732 -5.111 350 HD22 ASN 49 HD22 ASN 49 -18.076 -2.039 -5.366 351 HA PRO 50 HA PRO 50 -12.324 -1.085 -3.539 352 HB2 PRO 50 HB2 PRO 50 -10.883 -2.828 -2.000 353 HB3 PRO 50 HB1 PRO 50 -10.902 -1.090 -1.778 354 HG2 PRO 50 HG2 PRO 50 -12.229 -3.203 -0.236 355 HG3 PRO 50 HG1 PRO 50 -11.725 -1.585 0.271 356 HD2 PRO 50 HD2 PRO 50 -14.316 -2.362 -0.267 357 HD3 PRO 50 HD1 PRO 50 -13.723 -0.704 -0.218 358 H THR 51 HN THR 51 -11.899 -2.299 -5.213 359 HA THR 51 HA THR 51 -12.706 -5.123 -5.178 360 HB THR 51 HB THR 51 -14.088 -3.711 -6.693 361 HG1 THR 51 HG1 THR 51 -13.198 -5.080 -8.692 362 HG21 THR 51 HG21 THR 51 -12.421 -2.052 -7.345 363 HG22 THR 51 HG22 THR 51 -13.078 -2.850 -8.775 364 HG23 THR 51 HG23 THR 51 -11.479 -3.296 -8.173 365 H CYS 52 HN CYS 52 -11.254 -6.599 -6.255 366 HA CYS 52 HA CYS 52 -8.519 -5.616 -6.387 367 HB2 CYS 52 HB2 CYS 52 -9.272 -7.937 -5.486 368 HB3 CYS 52 HB1 CYS 52 -9.460 -8.371 -7.179 369 H ASP 53 HN ASP 53 -7.488 -5.203 -8.241 370 HA ASP 53 HA ASP 53 -7.715 -5.458 -10.822 371 HB2 ASP 53 HB2 ASP 53 -10.251 -5.379 -10.626 372 HB3 ASP 53 HB1 ASP 53 -10.090 -3.697 -10.140 373 H ILE 54 HN ILE 54 -8.607 -2.956 -8.502 374 HA ILE 54 HA ILE 54 -7.104 -0.912 -9.876 375 HB ILE 54 HB ILE 54 -8.289 -0.806 -7.106 376 HG12 ILE 54 HG12 ILE 54 -9.569 0.100 -9.695 377 HG13 ILE 54 HG11 ILE 54 -9.968 -1.402 -8.869 378 HG21 ILE 54 HG21 ILE 54 -8.133 1.578 -7.344 379 HG22 ILE 54 HG22 ILE 54 -7.617 1.422 -9.024 380 HG23 ILE 54 HG23 ILE 54 -6.548 0.872 -7.720 381 HD11 ILE 54 HD11 ILE 54 -11.599 0.330 -8.391 382 HD12 ILE 54 HD12 ILE 54 -10.325 1.378 -7.766 383 HD13 ILE 54 HD13 ILE 54 -10.725 -0.122 -6.927 384 H ASN 55 HN ASN 55 -4.989 -1.610 -9.846 385 HA ASN 55 HA ASN 55 -2.907 -2.020 -9.006 386 HB2 ASN 55 HB2 ASN 55 -3.493 0.298 -8.057 387 HB3 ASN 55 HB1 ASN 55 -3.779 -0.528 -6.537 388 HD21 ASN 55 HD21 ASN 55 -2.065 0.261 -5.391 389 HD22 ASN 55 HD22 ASN 55 -0.421 -0.081 -5.794 390 H ASN 56 HN ASN 56 -4.725 -4.068 -8.643 391 HA ASN 56 HA ASN 56 -4.896 -6.075 -7.569 392 HB2 ASN 56 HB2 ASN 56 -2.801 -5.385 -5.546 393 HB3 ASN 56 HB1 ASN 56 -3.064 -6.900 -6.395 394 HD21 ASN 56 HD21 ASN 56 -0.856 -4.841 -5.918 395 HD22 ASN 56 HD22 ASN 56 -0.112 -4.741 -7.459 396 H GLY 57 HN GLY 57 -6.326 -3.662 -6.716 397 HA2 GLY 57 HA2 GLY 57 -8.055 -3.454 -5.147 398 HA3 GLY 57 HA1 GLY 57 -7.280 -4.698 -4.176 399 H GLY 58 HN GLY 58 -4.933 -2.540 -5.031 400 HA2 GLY 58 HA2 GLY 58 -4.456 -0.419 -3.899 401 HA3 GLY 58 HA1 GLY 58 -5.298 -1.069 -2.499 402 H CYS 59 HN CYS 59 -3.419 -3.294 -4.183 403 HA CYS 59 HA CYS 59 -1.424 -3.357 -2.024 404 HB2 CYS 59 HB2 CYS 59 -1.948 -5.579 -3.977 405 HB3 CYS 59 HB1 CYS 59 -1.246 -5.673 -2.366 406 H ASP 60 HN ASP 60 0.554 -4.615 -2.899 407 HA ASP 60 HA ASP 60 1.546 -3.198 -5.271 408 HB2 ASP 60 HB2 ASP 60 2.793 -3.295 -3.037 409 HB3 ASP 60 HB1 ASP 60 3.029 -5.003 -3.349 410 HA PRO 61 HA PRO 61 0.685 -6.660 -7.750 411 HB2 PRO 61 HB2 PRO 61 3.363 -6.370 -8.988 412 HB3 PRO 61 HB1 PRO 61 1.769 -6.310 -9.733 413 HG2 PRO 61 HG2 PRO 61 3.298 -4.122 -9.333 414 HG3 PRO 61 HG1 PRO 61 1.526 -4.076 -9.337 415 HD2 PRO 61 HD2 PRO 61 3.413 -3.867 -7.072 416 HD3 PRO 61 HD1 PRO 61 1.765 -3.247 -7.239 417 H THR 62 HN THR 62 3.582 -6.514 -5.896 418 HA THR 62 HA THR 62 4.211 -9.327 -6.205 419 HB THR 62 HB THR 62 6.091 -8.857 -4.741 420 HG1 THR 62 HG1 THR 62 5.280 -6.146 -4.488 421 HG21 THR 62 HG21 THR 62 7.156 -7.011 -6.022 422 HG22 THR 62 HG22 THR 62 5.576 -6.640 -6.731 423 HG23 THR 62 HG23 THR 62 6.352 -8.192 -7.057 424 H ALA 63 HN ALA 63 2.418 -7.233 -4.164 425 HA ALA 63 HA ALA 63 2.008 -9.199 -2.075 426 HB1 ALA 63 HB1 ALA 63 2.006 -6.852 -1.462 427 HB2 ALA 63 HB2 ALA 63 0.400 -7.534 -1.194 428 HB3 ALA 63 HB3 ALA 63 0.701 -6.516 -2.613 429 H SER 64 HN SER 64 0.868 -10.928 -2.642 430 HA SER 64 HA SER 64 -0.893 -11.143 -4.798 431 HB2 SER 64 HB2 SER 64 0.201 -13.058 -3.632 432 HB3 SER 64 HB1 SER 64 -0.883 -12.806 -2.266 433 HG SER 64 HG SER 64 -2.638 -13.144 -3.788 434 H CYS 65 HN CYS 65 -2.851 -10.300 -5.081 435 HA CYS 65 HA CYS 65 -4.289 -9.266 -2.763 436 HB2 CYS 65 HB2 CYS 65 -4.242 -7.661 -4.473 437 HB3 CYS 65 HB1 CYS 65 -4.570 -8.860 -5.718 438 H GLN 66 HN GLN 66 -6.021 -10.016 -1.980 439 HA GLN 66 HA GLN 66 -7.673 -11.944 -3.474 440 HB2 GLN 66 HB2 GLN 66 -7.758 -11.870 -0.493 441 HB3 GLN 66 HB1 GLN 66 -7.993 -13.232 -1.579 442 HG2 GLN 66 HG2 GLN 66 -5.307 -12.021 -1.394 443 HG3 GLN 66 HG1 GLN 66 -5.862 -13.007 -0.059 444 HE21 GLN 66 HE21 GLN 66 -4.316 -14.601 -0.450 445 HE22 GLN 66 HE22 GLN 66 -4.426 -15.667 -1.811 446 H ASN 67 HN ASN 67 -9.902 -11.377 -3.470 447 HA ASN 67 HA ASN 67 -10.387 -8.797 -2.175 448 HB2 ASN 67 HB2 ASN 67 -12.470 -8.721 -3.625 449 HB3 ASN 67 HB1 ASN 67 -10.920 -8.492 -4.399 450 HD21 ASN 67 HD21 ASN 67 -10.143 -10.091 -5.772 451 HD22 ASN 67 HD22 ASN 67 -11.161 -11.327 -6.404 452 H ALA 68 HN ALA 68 -11.884 -8.407 -0.865 453 HA ALA 68 HA ALA 68 -13.876 -10.349 -0.067 454 HB1 ALA 68 HB1 ALA 68 -12.224 -11.156 1.389 455 HB2 ALA 68 HB2 ALA 68 -13.108 -9.978 2.380 456 HB3 ALA 68 HB3 ALA 68 -11.547 -9.546 1.649 457 H GLU 69 HN GLU 69 -15.233 -9.316 1.675 458 HA GLU 69 HA GLU 69 -14.818 -6.471 1.894 459 HB2 GLU 69 HB2 GLU 69 -17.258 -6.085 1.735 460 HB3 GLU 69 HB1 GLU 69 -16.433 -6.476 0.234 461 HG2 GLU 69 HG2 GLU 69 -17.137 -8.809 0.508 462 HG3 GLU 69 HG1 GLU 69 -18.034 -8.307 1.933 463 H SER 70 HN SER 70 -13.949 -6.978 3.773 464 HA SER 70 HA SER 70 -15.434 -8.396 5.781 465 HB2 SER 70 HB2 SER 70 -12.912 -8.538 5.496 466 HB3 SER 70 HB1 SER 70 -12.826 -6.918 6.177 467 HG SER 70 HG SER 70 -14.217 -8.982 7.522 468 H THR 71 HN THR 71 -15.422 -7.289 8.070 469 HA THR 71 HA THR 71 -17.041 -5.032 8.048 470 HB THR 71 HB THR 71 -15.156 -5.563 10.332 471 HG1 THR 71 HG1 THR 71 -17.491 -7.106 9.739 472 HG21 THR 71 HG21 THR 71 -17.149 -5.027 11.671 473 HG22 THR 71 HG22 THR 71 -18.079 -4.810 10.188 474 HG23 THR 71 HG23 THR 71 -16.740 -3.721 10.555 475 H GLU 72 HN GLU 72 -13.538 -5.317 8.198 476 HA GLU 72 HA GLU 72 -13.289 -2.412 8.347 477 HB2 GLU 72 HB2 GLU 72 -11.050 -4.409 8.258 478 HB3 GLU 72 HB1 GLU 72 -10.974 -2.730 8.772 479 HG2 GLU 72 HG2 GLU 72 -12.582 -3.397 10.618 480 HG3 GLU 72 HG1 GLU 72 -12.208 -5.064 10.180 481 H ASN 73 HN ASN 73 -12.602 -1.207 6.713 482 HA ASN 73 HA ASN 73 -12.901 -2.204 4.075 483 HB2 ASN 73 HB2 ASN 73 -11.678 0.426 4.888 484 HB3 ASN 73 HB1 ASN 73 -12.478 0.061 3.370 485 HD21 ASN 73 HD21 ASN 73 -12.856 1.084 6.602 486 HD22 ASN 73 HD22 ASN 73 -14.582 1.260 6.571 487 H SER 74 HN SER 74 -10.172 -1.661 6.172 488 HA SER 74 HA SER 74 -8.236 -2.089 4.083 489 HB2 SER 74 HB2 SER 74 -7.680 -0.755 6.087 490 HB3 SER 74 HB1 SER 74 -7.900 -2.186 7.095 491 HG SER 74 HG SER 74 -5.728 -1.408 5.695 492 H LYS 75 HN LYS 75 -10.158 -4.035 6.156 493 HA LYS 75 HA LYS 75 -8.565 -6.429 5.747 494 HB2 LYS 75 HB2 LYS 75 -11.153 -5.866 7.184 495 HB3 LYS 75 HB1 LYS 75 -10.537 -7.496 6.968 496 HG2 LYS 75 HG2 LYS 75 -8.782 -5.435 8.193 497 HG3 LYS 75 HG1 LYS 75 -10.055 -6.186 9.157 498 HD2 LYS 75 HD2 LYS 75 -7.828 -7.600 7.694 499 HD3 LYS 75 HD1 LYS 75 -7.993 -7.407 9.438 500 HE2 LYS 75 HE2 LYS 75 -10.150 -8.654 9.299 501 HE3 LYS 75 HE1 LYS 75 -9.795 -8.974 7.603 502 HZ1 LYS 75 HZ1 LYS 75 -9.052 -10.856 8.701 503 HZ2 LYS 75 HZ2 LYS 75 -8.417 -9.986 10.003 504 HZ3 LYS 75 HZ3 LYS 75 -7.621 -9.961 8.503 505 H LYS 76 HN LYS 76 -10.463 -4.742 3.755 506 HA LYS 76 HA LYS 76 -12.117 -6.882 2.756 507 HB2 LYS 76 HB2 LYS 76 -11.590 -4.153 1.633 508 HB3 LYS 76 HB1 LYS 76 -12.746 -5.314 0.999 509 HG2 LYS 76 HG2 LYS 76 -13.909 -5.254 3.204 510 HG3 LYS 76 HG1 LYS 76 -12.822 -3.945 3.673 511 HD2 LYS 76 HD2 LYS 76 -13.611 -2.820 1.494 512 HD3 LYS 76 HD1 LYS 76 -14.918 -3.989 1.547 513 HE2 LYS 76 HE2 LYS 76 -14.262 -1.981 3.691 514 HE3 LYS 76 HE1 LYS 76 -15.573 -1.854 2.528 515 HZ1 LYS 76 HZ1 LYS 76 -15.337 -3.982 4.582 516 HZ2 LYS 76 HZ2 LYS 76 -16.594 -3.816 3.457 517 HZ3 LYS 76 HZ3 LYS 76 -16.370 -2.642 4.658 518 H ILE 77 HN ILE 77 -9.383 -4.991 1.540 519 HA ILE 77 HA ILE 77 -8.956 -7.041 -0.496 520 HB ILE 77 HB ILE 77 -7.595 -4.375 -0.119 521 HG12 ILE 77 HG12 ILE 77 -9.923 -4.147 -0.806 522 HG13 ILE 77 HG11 ILE 77 -8.859 -3.730 -2.144 523 HG21 ILE 77 HG21 ILE 77 -7.349 -6.364 -2.363 524 HG22 ILE 77 HG22 ILE 77 -6.111 -5.989 -1.162 525 HG23 ILE 77 HG23 ILE 77 -6.617 -4.758 -2.323 526 HD11 ILE 77 HD11 ILE 77 -10.799 -5.076 -2.826 527 HD12 ILE 77 HD12 ILE 77 -10.220 -6.389 -1.794 528 HD13 ILE 77 HD13 ILE 77 -9.259 -5.865 -3.179 529 H ILE 78 HN ILE 78 -7.708 -8.619 -0.058 530 HA ILE 78 HA ILE 78 -5.869 -8.487 2.186 531 HB ILE 78 HB ILE 78 -6.563 -10.827 0.407 532 HG12 ILE 78 HG12 ILE 78 -7.726 -11.584 2.590 533 HG13 ILE 78 HG11 ILE 78 -7.659 -9.889 3.049 534 HG21 ILE 78 HG21 ILE 78 -5.057 -10.726 3.011 535 HG22 ILE 78 HG22 ILE 78 -4.375 -11.052 1.418 536 HG23 ILE 78 HG23 ILE 78 -5.512 -12.189 2.140 537 HD11 ILE 78 HD11 ILE 78 -9.817 -10.628 2.016 538 HD12 ILE 78 HD12 ILE 78 -8.929 -10.865 0.507 539 HD13 ILE 78 HD13 ILE 78 -9.041 -9.254 1.223 540 H CYS 79 HN CYS 79 -3.969 -7.663 1.779 541 HA CYS 79 HA CYS 79 -2.630 -8.295 -0.752 542 HB2 CYS 79 HB2 CYS 79 -1.843 -6.165 1.235 543 HB3 CYS 79 HB1 CYS 79 -1.315 -6.330 -0.435 544 H THR 80 HN THR 80 -1.155 -9.823 -0.671 545 HA THR 80 HA THR 80 0.127 -10.420 1.908 546 HB THR 80 HB THR 80 -0.814 -12.318 -0.243 547 HG1 THR 80 HG1 THR 80 -1.649 -11.680 2.382 548 HG21 THR 80 HG21 THR 80 0.802 -12.869 2.246 549 HG22 THR 80 HG22 THR 80 1.293 -13.141 0.572 550 HG23 THR 80 HG23 THR 80 -0.000 -14.111 1.281 551 H CYS 81 HN CYS 81 2.189 -9.805 1.787 552 HA CYS 81 HA CYS 81 3.657 -9.946 -0.703 553 HB2 CYS 81 HB2 CYS 81 4.840 -9.343 2.015 554 HB3 CYS 81 HB1 CYS 81 5.419 -8.836 0.433 555 H LYS 82 HN LYS 82 5.266 -11.440 -1.166 556 HA LYS 82 HA LYS 82 4.973 -13.996 0.128 557 HB2 LYS 82 HB2 LYS 82 6.660 -13.090 -2.204 558 HB3 LYS 82 HB1 LYS 82 6.676 -14.734 -1.592 559 HG2 LYS 82 HG2 LYS 82 5.240 -14.759 -3.443 560 HG3 LYS 82 HG1 LYS 82 4.181 -14.779 -2.033 561 HD2 LYS 82 HD2 LYS 82 3.753 -12.414 -2.281 562 HD3 LYS 82 HD1 LYS 82 4.908 -12.309 -3.608 563 HE2 LYS 82 HE2 LYS 82 2.381 -13.951 -3.617 564 HE3 LYS 82 HE1 LYS 82 2.573 -12.370 -4.375 565 HZ1 LYS 82 HZ1 LYS 82 2.857 -14.513 -5.780 566 HZ2 LYS 82 HZ2 LYS 82 4.416 -14.551 -5.106 567 HZ3 LYS 82 HZ3 LYS 82 3.917 -13.214 -6.013 568 H GLU 83 HN GLU 83 7.274 -15.247 0.120 569 HA GLU 83 HA GLU 83 8.464 -14.286 2.494 570 HB2 GLU 83 HB2 GLU 83 9.209 -16.607 0.741 571 HB3 GLU 83 HB1 GLU 83 9.918 -16.282 2.315 572 HG2 GLU 83 HG2 GLU 83 7.496 -16.274 3.161 573 HG3 GLU 83 HG1 GLU 83 7.127 -17.073 1.641 574 HA PRO 84 HA PRO 84 12.264 -13.007 -0.039 575 HB2 PRO 84 HB2 PRO 84 11.958 -12.120 -2.535 576 HB3 PRO 84 HB1 PRO 84 12.219 -13.837 -2.201 577 HG2 PRO 84 HG2 PRO 84 9.705 -12.402 -2.904 578 HG3 PRO 84 HG1 PRO 84 10.236 -14.031 -3.360 579 HD2 PRO 84 HD2 PRO 84 8.445 -13.409 -1.316 580 HD3 PRO 84 HD1 PRO 84 9.306 -14.946 -1.503 581 H THR 85 HN THR 85 9.303 -11.863 0.404 582 HA THR 85 HA THR 85 10.201 -9.088 0.572 583 HB THR 85 HB THR 85 8.063 -8.274 -0.170 584 HG1 THR 85 HG1 THR 85 7.135 -10.579 0.668 585 HG21 THR 85 HG21 THR 85 9.005 -10.518 -1.951 586 HG22 THR 85 HG22 THR 85 9.509 -8.823 -1.999 587 HG23 THR 85 HG23 THR 85 7.862 -9.261 -2.443 588 HA PRO 86 HA PRO 86 8.664 -11.339 4.379 589 HB2 PRO 86 HB2 PRO 86 11.013 -10.282 5.750 590 HB3 PRO 86 HB1 PRO 86 10.560 -11.965 5.470 591 HG2 PRO 86 HG2 PRO 86 12.664 -10.821 4.254 592 HG3 PRO 86 HG1 PRO 86 11.660 -12.037 3.439 593 HD2 PRO 86 HD2 PRO 86 11.556 -9.040 3.214 594 HD3 PRO 86 HD1 PRO 86 11.559 -10.261 1.927 595 H ASN 87 HN ASN 87 8.715 -8.287 3.522 596 HA ASN 87 HA ASN 87 7.664 -7.287 6.047 597 HB2 ASN 87 HB2 ASN 87 9.588 -5.725 4.314 598 HB3 ASN 87 HB1 ASN 87 8.928 -5.242 5.855 599 HD21 ASN 87 HD21 ASN 87 11.308 -7.015 4.217 600 HD22 ASN 87 HD22 ASN 87 12.206 -7.588 5.585 601 H ALA 88 HN ALA 88 6.363 -5.305 5.653 602 HA ALA 88 HA ALA 88 5.526 -5.030 2.856 603 HB1 ALA 88 HB1 ALA 88 3.940 -6.557 3.916 604 HB2 ALA 88 HB2 ALA 88 3.181 -5.032 3.476 605 HB3 ALA 88 HB3 ALA 88 3.606 -5.349 5.156 606 H TYR 89 HN TYR 89 5.171 -2.991 2.244 607 HA TYR 89 HA TYR 89 5.768 -0.920 4.144 608 HB2 TYR 89 HB2 TYR 89 5.665 -1.152 1.230 609 HB3 TYR 89 HB1 TYR 89 4.999 0.365 1.808 610 HD1 TYR 89 HD1 TYR 89 7.950 -1.837 2.139 611 HD2 TYR 89 HD2 TYR 89 6.406 2.103 2.412 612 HE1 TYR 89 HE1 TYR 89 10.219 -0.970 2.356 613 HE2 TYR 89 HE2 TYR 89 8.689 2.984 2.628 614 HH TYR 89 HH TYR 89 11.264 1.572 1.701 615 H TYR 90 HN TYR 90 4.403 -0.126 5.425 616 HA TYR 90 HA TYR 90 2.516 0.444 6.483 617 HB2 TYR 90 HB2 TYR 90 2.069 1.374 3.914 618 HB3 TYR 90 HB1 TYR 90 0.621 0.434 4.267 619 HD1 TYR 90 HD1 TYR 90 1.973 3.607 4.439 620 HD2 TYR 90 HD2 TYR 90 -0.243 0.872 6.829 621 HE1 TYR 90 HE1 TYR 90 1.165 5.465 5.802 622 HE2 TYR 90 HE2 TYR 90 -1.076 2.741 8.197 623 HH TYR 90 HH TYR 90 -0.490 4.996 8.771 624 H GLU 91 HN GLU 91 0.073 -0.830 4.606 625 HA GLU 91 HA GLU 91 -0.105 -3.057 6.490 626 HB2 GLU 91 HB2 GLU 91 -2.283 -2.339 4.570 627 HB3 GLU 91 HB1 GLU 91 -2.403 -3.020 6.187 628 HG2 GLU 91 HG2 GLU 91 -1.548 -0.802 7.049 629 HG3 GLU 91 HG1 GLU 91 -1.793 -0.191 5.413 630 H GLY 92 HN GLY 92 1.215 -2.737 3.555 631 HA2 GLY 92 HA2 GLY 92 1.782 -4.839 2.340 632 HA3 GLY 92 HA1 GLY 92 0.075 -5.255 2.468 633 H VAL 93 HN VAL 93 0.521 -1.980 2.052 634 HA VAL 93 HA VAL 93 -0.762 -1.888 -0.432 635 HB VAL 93 HB VAL 93 0.880 0.339 0.789 636 HG11 VAL 93 HG11 VAL 93 0.035 0.724 -1.450 637 HG12 VAL 93 HG12 VAL 93 -0.750 1.772 -0.269 638 HG13 VAL 93 HG13 VAL 93 -1.600 0.359 -0.896 639 HG21 VAL 93 HG21 VAL 93 -1.925 -0.537 1.491 640 HG22 VAL 93 HG22 VAL 93 -1.173 0.975 2.011 641 HG23 VAL 93 HG23 VAL 93 -0.510 -0.571 2.547 642 H PHE 94 HN PHE 94 2.622 -1.731 0.523 643 HA PHE 94 HA PHE 94 3.210 -2.749 -2.124 644 HB2 PHE 94 HB2 PHE 94 5.483 -1.218 -1.271 645 HB3 PHE 94 HB1 PHE 94 4.674 -1.232 -2.819 646 HD1 PHE 94 HD1 PHE 94 3.287 0.035 0.411 647 HD2 PHE 94 HD2 PHE 94 4.858 0.946 -3.425 648 HE1 PHE 94 HE1 PHE 94 2.804 2.418 0.783 649 HE2 PHE 94 HE2 PHE 94 4.355 3.321 -3.073 650 HZ PHE 94 HZ PHE 94 3.367 4.058 -0.961 651 H CYS 95 HN CYS 95 5.347 -3.820 -2.221 652 HA CYS 95 HA CYS 95 6.609 -4.442 0.333 653 HB2 CYS 95 HB2 CYS 95 6.216 -6.797 -1.446 654 HB3 CYS 95 HB1 CYS 95 6.277 -6.711 0.314 655 H SER 96 HN SER 96 8.770 -5.655 -0.159 656 HA SER 96 HA SER 96 9.810 -4.745 -2.775 657 HB2 SER 96 HB2 SER 96 10.590 -3.450 -0.683 658 HB3 SER 96 HB1 SER 96 11.495 -4.906 -0.278 659 HG SER 96 HG SER 96 11.952 -3.021 -2.278 660 H SER 97 HN SER 97 10.754 -6.298 -3.982 661 HA SER 97 HA SER 97 11.095 -8.906 -2.687 662 HB2 SER 97 HB2 SER 97 10.838 -9.736 -5.121 663 HB3 SER 97 HB1 SER 97 9.415 -9.144 -4.266 664 HG SER 97 HG SER 97 10.438 -8.275 -6.559 665 H SER 98 HN SER 98 13.141 -8.842 -2.063 666 HA SER 98 HA SER 98 15.092 -9.972 -3.575 667 HB2 SER 98 HB2 SER 98 15.199 -6.996 -3.836 668 HB3 SER 98 HB1 SER 98 16.717 -7.875 -3.683 669 HG SER 98 HG SER 98 14.701 -8.496 -5.582 670 H SER 99 HN SER 99 14.253 -10.284 -1.034 671 HA SER 99 HA SER 99 16.198 -8.982 0.705 672 HB2 SER 99 HB2 SER 99 14.832 -9.920 2.544 673 HB3 SER 99 HB1 SER 99 13.854 -8.991 1.404 674 HG SER 99 HG SER 99 14.172 -11.811 1.317 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 18.588 -11.210 -2.630 2 H2 GLY 1 HT2 GLY 1 19.038 -11.387 -1.008 3 H3 GLY 1 HT3 GLY 1 18.987 -9.843 -1.709 4 HA2 GLY 1 HA2 GLY 1 16.650 -11.622 -1.280 5 HA3 GLY 1 HA1 GLY 1 16.598 -10.012 -1.985 6 H VAL 2 HN VAL 2 17.436 -8.238 -0.609 7 HA VAL 2 HA VAL 2 17.487 -8.678 2.244 8 HB VAL 2 HB VAL 2 18.953 -7.006 1.127 9 HG11 VAL 2 HG11 VAL 2 16.321 -5.670 0.589 10 HG12 VAL 2 HG12 VAL 2 17.555 -6.164 -0.579 11 HG13 VAL 2 HG13 VAL 2 17.867 -4.818 0.524 12 HG21 VAL 2 HG21 VAL 2 18.730 -5.254 2.756 13 HG22 VAL 2 HG22 VAL 2 18.353 -6.793 3.535 14 HG23 VAL 2 HG23 VAL 2 17.050 -5.697 3.063 15 H ASP 3 HN ASP 3 16.099 -7.221 3.651 16 HA ASP 3 HA ASP 3 13.326 -7.751 2.865 17 HB2 ASP 3 HB2 ASP 3 13.943 -6.748 5.556 18 HB3 ASP 3 HB1 ASP 3 12.919 -8.096 5.087 19 HA PRO 4 HA PRO 4 12.119 -3.594 1.725 20 HB2 PRO 4 HB2 PRO 4 9.675 -4.274 3.121 21 HB3 PRO 4 HB1 PRO 4 9.958 -4.025 1.401 22 HG2 PRO 4 HG2 PRO 4 9.889 -6.507 2.935 23 HG3 PRO 4 HG1 PRO 4 9.757 -6.278 1.189 24 HD2 PRO 4 HD2 PRO 4 11.863 -7.437 2.361 25 HD3 PRO 4 HD1 PRO 4 12.042 -6.426 0.917 26 H LYS 5 HN LYS 5 12.867 -4.325 4.934 27 HA LYS 5 HA LYS 5 11.125 -2.590 6.352 28 HB2 LYS 5 HB2 LYS 5 13.023 -2.957 8.164 29 HB3 LYS 5 HB1 LYS 5 11.848 -4.200 7.766 30 HG2 LYS 5 HG2 LYS 5 14.035 -5.184 7.907 31 HG3 LYS 5 HG1 LYS 5 13.497 -5.219 6.229 32 HD2 LYS 5 HD2 LYS 5 15.781 -4.575 6.189 33 HD3 LYS 5 HD1 LYS 5 14.846 -3.112 5.879 34 HE2 LYS 5 HE2 LYS 5 15.099 -2.418 8.186 35 HE3 LYS 5 HE1 LYS 5 15.956 -3.911 8.567 36 HZ1 LYS 5 HZ1 LYS 5 16.871 -1.604 6.969 37 HZ2 LYS 5 HZ2 LYS 5 17.568 -3.134 6.743 38 HZ3 LYS 5 HZ3 LYS 5 17.645 -2.388 8.263 39 H HIS 6 HN HIS 6 13.141 -1.375 4.272 40 HA HIS 6 HA HIS 6 14.691 0.428 5.897 41 HB2 HIS 6 HB2 HIS 6 15.080 1.562 3.594 42 HB3 HIS 6 HB1 HIS 6 15.775 -0.032 3.885 43 HD1 HIS 6 HD1 HIS 6 14.453 -2.062 2.808 44 HD2 HIS 6 HD2 HIS 6 13.403 1.712 1.466 45 HE1 HIS 6 HE1 HIS 6 12.946 -2.448 0.832 46 HE2 HIS 6 HE2 HIS 6 12.576 -0.148 -0.116 47 H VAL 7 HN VAL 7 11.575 0.328 5.636 48 HA VAL 7 HA VAL 7 9.813 1.728 5.762 49 HB VAL 7 HB VAL 7 10.025 3.508 7.402 50 HG11 VAL 7 HG11 VAL 7 10.969 2.158 9.254 51 HG12 VAL 7 HG12 VAL 7 11.592 1.018 8.057 52 HG13 VAL 7 HG13 VAL 7 9.852 1.264 8.222 53 HG21 VAL 7 HG21 VAL 7 12.187 4.063 8.435 54 HG22 VAL 7 HG22 VAL 7 12.136 4.523 6.734 55 HG23 VAL 7 HG23 VAL 7 13.010 3.074 7.228 56 H CYS 8 HN CYS 8 9.990 4.681 6.051 57 HA CYS 8 HA CYS 8 10.811 5.573 3.405 58 HB2 CYS 8 HB2 CYS 8 8.685 4.708 2.847 59 HB3 CYS 8 HB1 CYS 8 7.947 5.326 4.305 60 H VAL 9 HN VAL 9 10.945 7.700 3.189 61 HA VAL 9 HA VAL 9 9.520 9.477 4.992 62 HB VAL 9 HB VAL 9 11.652 10.989 4.780 63 HG11 VAL 9 HG11 VAL 9 11.641 8.597 6.626 64 HG12 VAL 9 HG12 VAL 9 10.832 10.136 6.923 65 HG13 VAL 9 HG13 VAL 9 12.593 10.064 6.858 66 HG21 VAL 9 HG21 VAL 9 12.834 9.577 3.219 67 HG22 VAL 9 HG22 VAL 9 12.761 8.221 4.350 68 HG23 VAL 9 HG23 VAL 9 13.744 9.643 4.738 69 H ASP 10 HN ASP 10 8.149 10.090 3.397 70 HA ASP 10 HA ASP 10 9.330 11.134 0.935 71 HB2 ASP 10 HB2 ASP 10 8.439 9.060 0.297 72 HB3 ASP 10 HB1 ASP 10 7.014 9.270 1.285 73 H THR 11 HN THR 11 8.152 12.788 -0.091 74 HA THR 11 HA THR 11 6.731 14.518 -0.388 75 HB THR 11 HB THR 11 5.250 12.245 0.775 76 HG1 THR 11 HG1 THR 11 5.420 11.855 -1.267 77 HG21 THR 11 HG21 THR 11 3.887 13.978 1.645 78 HG22 THR 11 HG22 THR 11 3.083 13.335 0.211 79 HG23 THR 11 HG23 THR 11 3.947 14.873 0.125 80 H ARG 12 HN ARG 12 5.257 16.083 0.533 81 HA ARG 12 HA ARG 12 6.367 17.070 3.000 82 HB2 ARG 12 HB2 ARG 12 4.604 18.303 0.936 83 HB3 ARG 12 HB1 ARG 12 5.218 19.155 2.339 84 HG2 ARG 12 HG2 ARG 12 6.663 19.756 0.665 85 HG3 ARG 12 HG1 ARG 12 7.525 18.460 1.474 86 HD2 ARG 12 HD2 ARG 12 6.636 16.927 -0.302 87 HD3 ARG 12 HD1 ARG 12 6.092 18.367 -1.168 88 HE ARG 12 HE ARG 12 8.739 18.826 -0.590 89 HH11 ARG 12 HH11 ARG 12 6.931 16.485 -2.488 90 HH12 ARG 12 HH12 ARG 12 8.298 16.037 -3.455 91 HH21 ARG 12 HH21 ARG 12 10.535 18.213 -1.857 92 HH22 ARG 12 HH22 ARG 12 10.338 17.003 -3.092 93 H ASP 13 HN ASP 13 3.255 16.406 1.528 94 HA ASP 13 HA ASP 13 2.204 15.774 4.199 95 HB2 ASP 13 HB2 ASP 13 1.387 18.019 3.693 96 HB3 ASP 13 HB1 ASP 13 0.757 17.463 2.146 97 H ILE 14 HN ILE 14 2.350 13.592 3.747 98 HA ILE 14 HA ILE 14 1.147 12.410 1.440 99 HB ILE 14 HB ILE 14 1.955 11.167 4.083 100 HG12 ILE 14 HG12 ILE 14 3.412 10.564 1.602 101 HG13 ILE 14 HG11 ILE 14 3.537 12.237 2.133 102 HG21 ILE 14 HG21 ILE 14 0.293 9.750 3.052 103 HG22 ILE 14 HG22 ILE 14 1.890 9.012 2.836 104 HG23 ILE 14 HG23 ILE 14 1.117 9.863 1.498 105 HD11 ILE 14 HD11 ILE 14 4.368 11.484 4.288 106 HD12 ILE 14 HD12 ILE 14 5.372 10.906 2.955 107 HD13 ILE 14 HD13 ILE 14 4.240 9.805 3.749 108 HA PRO 15 HA PRO 15 -3.071 12.825 2.405 109 HB2 PRO 15 HB2 PRO 15 -3.223 10.094 1.217 110 HB3 PRO 15 HB1 PRO 15 -4.160 11.536 0.840 111 HG2 PRO 15 HG2 PRO 15 -2.277 10.855 -0.808 112 HG3 PRO 15 HG1 PRO 15 -2.363 12.550 -0.288 113 HD2 PRO 15 HD2 PRO 15 -0.594 10.359 0.732 114 HD3 PRO 15 HD1 PRO 15 -0.147 11.995 0.248 115 H LYS 16 HN LYS 16 -4.533 12.263 3.950 116 HA LYS 16 HA LYS 16 -3.992 10.307 5.913 117 HB2 LYS 16 HB2 LYS 16 -5.468 12.257 6.273 118 HB3 LYS 16 HB1 LYS 16 -6.608 11.598 5.105 119 HG2 LYS 16 HG2 LYS 16 -7.301 11.227 7.415 120 HG3 LYS 16 HG1 LYS 16 -7.044 9.721 6.537 121 HD2 LYS 16 HD2 LYS 16 -4.865 9.459 7.588 122 HD3 LYS 16 HD1 LYS 16 -5.073 10.997 8.428 123 HE2 LYS 16 HE2 LYS 16 -5.574 9.163 9.932 124 HE3 LYS 16 HE1 LYS 16 -7.035 10.084 9.586 125 HZ1 LYS 16 HZ1 LYS 16 -7.330 7.639 9.556 126 HZ2 LYS 16 HZ2 LYS 16 -6.325 7.560 8.195 127 HZ3 LYS 16 HZ3 LYS 16 -7.793 8.408 8.122 128 H ASN 17 HN ASN 17 -4.853 8.220 6.094 129 HA ASN 17 HA ASN 17 -5.585 6.177 5.379 130 HB2 ASN 17 HB2 ASN 17 -7.036 7.612 3.133 131 HB3 ASN 17 HB1 ASN 17 -7.371 5.988 3.733 132 HD21 ASN 17 HD21 ASN 17 -7.541 9.368 4.406 133 HD22 ASN 17 HD22 ASN 17 -8.777 9.271 5.633 134 H ALA 18 HN ALA 18 -3.394 7.940 4.187 135 HA ALA 18 HA ALA 18 -2.585 6.005 2.127 136 HB1 ALA 18 HB1 ALA 18 -1.784 8.917 2.181 137 HB2 ALA 18 HB2 ALA 18 -3.034 8.236 1.139 138 HB3 ALA 18 HB3 ALA 18 -1.354 7.714 0.957 139 H GLY 19 HN GLY 19 -0.412 5.490 2.060 140 HA2 GLY 19 HA2 GLY 19 1.251 6.429 4.313 141 HA3 GLY 19 HA1 GLY 19 1.160 4.715 3.913 142 H CYS 20 HN CYS 20 3.588 6.183 3.920 143 HA CYS 20 HA CYS 20 4.096 6.573 1.049 144 HB2 CYS 20 HB2 CYS 20 5.622 8.240 1.527 145 HB3 CYS 20 HB1 CYS 20 4.434 8.490 2.793 146 H PHE 21 HN PHE 21 5.920 5.707 0.142 147 HA PHE 21 HA PHE 21 7.579 4.045 1.887 148 HB2 PHE 21 HB2 PHE 21 6.236 2.482 0.749 149 HB3 PHE 21 HB1 PHE 21 6.529 3.257 -0.801 150 HD1 PHE 21 HD1 PHE 21 8.342 1.934 1.991 151 HD2 PHE 21 HD2 PHE 21 8.184 2.258 -2.182 152 HE1 PHE 21 HE1 PHE 21 10.328 0.502 1.838 153 HE2 PHE 21 HE2 PHE 21 10.182 0.837 -2.383 154 HZ PHE 21 HZ PHE 21 11.263 -0.054 -0.330 155 H ARG 22 HN ARG 22 9.692 4.055 1.550 156 HA ARG 22 HA ARG 22 10.706 5.381 -0.851 157 HB2 ARG 22 HB2 ARG 22 11.008 7.105 0.714 158 HB3 ARG 22 HB1 ARG 22 11.432 5.987 1.990 159 HG2 ARG 22 HG2 ARG 22 13.525 5.522 0.976 160 HG3 ARG 22 HG1 ARG 22 13.103 6.488 -0.423 161 HD2 ARG 22 HD2 ARG 22 12.774 8.059 1.914 162 HD3 ARG 22 HD1 ARG 22 14.372 7.305 1.946 163 HE ARG 22 HE ARG 22 13.465 8.593 -0.497 164 HH11 ARG 22 HH11 ARG 22 15.637 8.565 2.250 165 HH12 ARG 22 HH12 ARG 22 16.655 9.822 1.626 166 HH21 ARG 22 HH21 ARG 22 14.827 10.217 -1.345 167 HH22 ARG 22 HH22 ARG 22 16.214 10.747 -0.434 168 H ASP 23 HN ASP 23 12.096 4.069 -1.886 169 HA ASP 23 HA ASP 23 12.506 1.520 -0.585 170 HB2 ASP 23 HB2 ASP 23 12.823 0.581 -2.676 171 HB3 ASP 23 HB1 ASP 23 11.696 1.889 -3.008 172 H ASP 24 HN ASP 24 14.748 0.460 -1.675 173 HA ASP 24 HA ASP 24 16.759 1.487 0.021 174 HB2 ASP 24 HB2 ASP 24 16.626 -0.878 -0.492 175 HB3 ASP 24 HB1 ASP 24 16.904 -0.543 -2.197 176 H ASP 25 HN ASP 25 16.017 1.996 -3.344 177 HA ASP 25 HA ASP 25 18.565 3.105 -4.047 178 HB2 ASP 25 HB2 ASP 25 17.112 2.105 -5.756 179 HB3 ASP 25 HB1 ASP 25 15.890 3.338 -5.447 180 H GLY 26 HN GLY 26 15.625 4.335 -2.686 181 HA2 GLY 26 HA2 GLY 26 15.878 6.431 -1.401 182 HA3 GLY 26 HA1 GLY 26 16.760 7.069 -2.783 183 H THR 27 HN THR 27 14.341 5.135 -3.879 184 HA THR 27 HA THR 27 12.848 7.264 -5.034 185 HB THR 27 HB THR 27 11.948 4.410 -4.766 186 HG1 THR 27 HG1 THR 27 13.938 4.086 -5.562 187 HG21 THR 27 HG21 THR 27 11.592 6.474 -6.940 188 HG22 THR 27 HG22 THR 27 10.356 5.907 -5.814 189 HG23 THR 27 HG23 THR 27 11.022 4.808 -7.021 190 H GLU 28 HN GLU 28 10.942 8.168 -4.366 191 HA GLU 28 HA GLU 28 9.776 7.090 -1.884 192 HB2 GLU 28 HB2 GLU 28 10.143 9.968 -2.712 193 HB3 GLU 28 HB1 GLU 28 9.213 9.450 -1.313 194 HG2 GLU 28 HG2 GLU 28 11.089 8.803 -0.126 195 HG3 GLU 28 HG1 GLU 28 12.060 8.599 -1.579 196 H GLU 29 HN GLU 29 7.750 6.510 -1.991 197 HA GLU 29 HA GLU 29 5.923 7.827 -3.863 198 HB2 GLU 29 HB2 GLU 29 6.654 6.081 -5.277 199 HB3 GLU 29 HB1 GLU 29 6.709 4.928 -3.956 200 HG2 GLU 29 HG2 GLU 29 4.274 4.940 -3.835 201 HG3 GLU 29 HG1 GLU 29 4.207 6.093 -5.165 202 H TRP 30 HN TRP 30 4.115 8.231 -2.763 203 HA TRP 30 HA TRP 30 3.440 6.412 -0.577 204 HB2 TRP 30 HB2 TRP 30 1.863 8.109 0.197 205 HB3 TRP 30 HB1 TRP 30 3.479 8.780 0.042 206 HD1 TRP 30 HD TRP 30 3.709 10.936 -1.323 207 HE1 TRP 30 HE1 TRP 30 2.110 12.352 -2.767 208 HE3 TRP 30 HE3 TRP 30 -0.242 7.718 -1.499 209 HZ2 TRP 30 HZ2 TRP 30 -0.505 12.125 -3.818 210 HZ3 TRP 30 HZ3 TRP 30 -2.261 8.395 -2.745 211 HH2 TRP 30 HH TRP 30 -2.375 10.557 -3.883 212 H ARG 31 HN ARG 31 1.311 5.630 -0.387 213 HA ARG 31 HA ARG 31 -0.223 5.489 -2.879 214 HB2 ARG 31 HB2 ARG 31 0.673 3.113 -1.250 215 HB3 ARG 31 HB1 ARG 31 -0.574 3.038 -2.484 216 HG2 ARG 31 HG2 ARG 31 1.192 3.902 -4.095 217 HG3 ARG 31 HG1 ARG 31 2.353 3.551 -2.815 218 HD2 ARG 31 HD2 ARG 31 1.446 1.209 -2.763 219 HD3 ARG 31 HD1 ARG 31 0.541 1.600 -4.227 220 HE ARG 31 HE ARG 31 3.378 2.159 -4.369 221 HH11 ARG 31 HH11 ARG 31 0.948 -0.344 -4.816 222 HH12 ARG 31 HH12 ARG 31 1.862 -1.175 -6.033 223 HH21 ARG 31 HH21 ARG 31 4.570 1.072 -5.914 224 HH22 ARG 31 HH22 ARG 31 3.952 -0.375 -6.649 225 H CYS 32 HN CYS 32 -2.242 3.993 -2.237 226 HA CYS 32 HA CYS 32 -3.382 5.328 0.129 227 HB2 CYS 32 HB2 CYS 32 -4.786 4.231 -2.333 228 HB3 CYS 32 HB1 CYS 32 -5.569 5.058 -0.988 229 H LEU 33 HN LEU 33 -4.166 4.075 1.678 230 HA LEU 33 HA LEU 33 -3.013 1.534 1.849 231 HB2 LEU 33 HB2 LEU 33 -5.200 2.593 3.610 232 HB3 LEU 33 HB1 LEU 33 -4.016 1.373 4.020 233 HG LEU 33 HG LEU 33 -3.729 4.344 3.871 234 HD11 LEU 33 HD11 LEU 33 -4.226 3.279 6.002 235 HD12 LEU 33 HD12 LEU 33 -2.629 4.025 6.009 236 HD13 LEU 33 HD13 LEU 33 -2.784 2.273 5.838 237 HD21 LEU 33 HD21 LEU 33 -1.326 2.548 3.922 238 HD22 LEU 33 HD22 LEU 33 -1.403 4.310 3.743 239 HD23 LEU 33 HD23 LEU 33 -1.945 3.262 2.430 240 H LEU 34 HN LEU 34 -4.357 -0.386 2.654 241 HA LEU 34 HA LEU 34 -5.578 -1.291 0.327 242 HB2 LEU 34 HB2 LEU 34 -5.528 -2.573 3.048 243 HB3 LEU 34 HB1 LEU 34 -5.771 -3.384 1.507 244 HG LEU 34 HG LEU 34 -3.266 -1.968 2.396 245 HD11 LEU 34 HD11 LEU 34 -3.583 -4.122 3.480 246 HD12 LEU 34 HD12 LEU 34 -2.240 -4.162 2.338 247 HD13 LEU 34 HD13 LEU 34 -3.789 -4.889 1.904 248 HD21 LEU 34 HD21 LEU 34 -2.300 -2.757 0.294 249 HD22 LEU 34 HD22 LEU 34 -3.654 -1.657 0.023 250 HD23 LEU 34 HD23 LEU 34 -3.873 -3.394 -0.187 251 H GLY 35 HN GLY 35 -7.605 -1.521 -0.272 252 HA2 GLY 35 HA2 GLY 35 -9.932 -1.640 -0.083 253 HA3 GLY 35 HA1 GLY 35 -9.794 -1.289 1.635 254 H TYR 36 HN TYR 36 -7.890 0.877 0.068 255 HA TYR 36 HA TYR 36 -10.005 2.903 0.219 256 HB2 TYR 36 HB2 TYR 36 -7.006 3.249 0.376 257 HB3 TYR 36 HB1 TYR 36 -8.202 4.526 0.536 258 HD1 TYR 36 HD1 TYR 36 -6.589 4.702 2.622 259 HD2 TYR 36 HD2 TYR 36 -9.555 1.715 2.134 260 HE1 TYR 36 HE1 TYR 36 -6.646 4.353 5.059 261 HE2 TYR 36 HE2 TYR 36 -9.623 1.360 4.562 262 HH TYR 36 HH TYR 36 -8.099 1.690 6.512 263 H LYS 37 HN LYS 37 -8.978 4.928 -1.199 264 HA LYS 37 HA LYS 37 -8.231 3.988 -3.827 265 HB2 LYS 37 HB2 LYS 37 -10.194 4.980 -4.887 266 HB3 LYS 37 HB1 LYS 37 -10.669 3.712 -3.789 267 HG2 LYS 37 HG2 LYS 37 -11.207 5.429 -2.105 268 HG3 LYS 37 HG1 LYS 37 -10.811 6.672 -3.292 269 HD2 LYS 37 HD2 LYS 37 -12.553 5.677 -4.781 270 HD3 LYS 37 HD1 LYS 37 -12.999 4.617 -3.445 271 HE2 LYS 37 HE2 LYS 37 -13.535 6.529 -2.060 272 HE3 LYS 37 HE1 LYS 37 -13.035 7.632 -3.343 273 HZ1 LYS 37 HZ1 LYS 37 -15.294 5.710 -3.465 274 HZ2 LYS 37 HZ2 LYS 37 -14.798 6.701 -4.744 275 HZ3 LYS 37 HZ3 LYS 37 -15.426 7.392 -3.327 276 H LYS 38 HN LYS 38 -8.105 5.896 -5.326 277 HA LYS 38 HA LYS 38 -6.833 8.111 -3.925 278 HB2 LYS 38 HB2 LYS 38 -5.946 6.894 -6.050 279 HB3 LYS 38 HB1 LYS 38 -7.108 7.888 -6.908 280 HG2 LYS 38 HG2 LYS 38 -5.138 9.084 -7.045 281 HG3 LYS 38 HG1 LYS 38 -6.018 9.867 -5.729 282 HD2 LYS 38 HD2 LYS 38 -4.107 9.599 -4.579 283 HD3 LYS 38 HD1 LYS 38 -4.657 7.924 -4.397 284 HE2 LYS 38 HE2 LYS 38 -2.921 8.934 -6.643 285 HE3 LYS 38 HE1 LYS 38 -2.303 8.148 -5.195 286 HZ1 LYS 38 HZ1 LYS 38 -3.999 6.972 -7.325 287 HZ2 LYS 38 HZ2 LYS 38 -3.721 6.199 -5.845 288 HZ3 LYS 38 HZ3 LYS 38 -2.424 6.524 -6.886 289 H GLY 39 HN GLY 39 -7.726 10.060 -3.645 290 HA2 GLY 39 HA2 GLY 39 -10.484 10.332 -4.576 291 HA3 GLY 39 HA1 GLY 39 -9.734 11.248 -3.278 292 H GLU 40 HN GLU 40 -9.107 13.243 -3.692 293 HA GLU 40 HA GLU 40 -9.591 14.336 -6.320 294 HB2 GLU 40 HB2 GLU 40 -9.147 16.509 -5.198 295 HB3 GLU 40 HB1 GLU 40 -10.393 15.559 -4.402 296 HG2 GLU 40 HG2 GLU 40 -8.661 14.787 -2.777 297 HG3 GLU 40 HG1 GLU 40 -7.538 15.924 -3.522 298 H GLY 41 HN GLY 41 -7.633 12.794 -6.939 299 HA2 GLY 41 HA2 GLY 41 -5.704 13.103 -8.238 300 HA3 GLY 41 HA1 GLY 41 -5.470 14.663 -7.465 301 H ASN 42 HN ASN 42 -4.396 14.779 -5.475 302 HA ASN 42 HA ASN 42 -2.750 12.413 -4.937 303 HB2 ASN 42 HB2 ASN 42 -1.142 13.978 -3.884 304 HB3 ASN 42 HB1 ASN 42 -1.428 14.332 -5.583 305 HD21 ASN 42 HD21 ASN 42 -0.368 16.057 -3.555 306 HD22 ASN 42 HD22 ASN 42 -1.431 17.425 -3.452 307 H THR 43 HN THR 43 -5.035 11.977 -3.903 308 HA THR 43 HA THR 43 -4.625 12.286 -1.033 309 HB THR 43 HB THR 43 -7.172 12.562 -0.830 310 HG1 THR 43 HG1 THR 43 -6.946 13.911 -3.285 311 HG21 THR 43 HG21 THR 43 -6.970 15.011 -0.940 312 HG22 THR 43 HG22 THR 43 -5.448 14.835 -1.817 313 HG23 THR 43 HG23 THR 43 -5.577 14.272 -0.151 314 H CYS 44 HN CYS 44 -5.688 10.696 0.228 315 HA CYS 44 HA CYS 44 -6.767 8.460 -1.337 316 HB2 CYS 44 HB2 CYS 44 -5.033 8.226 1.129 317 HB3 CYS 44 HB1 CYS 44 -5.748 6.887 0.227 318 H VAL 45 HN VAL 45 -8.474 7.448 -0.540 319 HA VAL 45 HA VAL 45 -9.668 8.294 1.981 320 HB VAL 45 HB VAL 45 -11.870 8.626 0.791 321 HG11 VAL 45 HG11 VAL 45 -9.700 10.547 -0.060 322 HG12 VAL 45 HG12 VAL 45 -10.455 10.531 1.535 323 HG13 VAL 45 HG13 VAL 45 -11.420 10.904 0.101 324 HG21 VAL 45 HG21 VAL 45 -11.249 7.452 -1.303 325 HG22 VAL 45 HG22 VAL 45 -10.129 8.764 -1.680 326 HG23 VAL 45 HG23 VAL 45 -11.863 9.080 -1.601 327 H GLU 46 HN GLU 46 -11.105 6.703 2.807 328 HA GLU 46 HA GLU 46 -10.410 4.127 1.771 329 HB2 GLU 46 HB2 GLU 46 -12.529 3.962 3.719 330 HB3 GLU 46 HB1 GLU 46 -10.897 3.317 3.751 331 HG2 GLU 46 HG2 GLU 46 -11.095 4.634 5.634 332 HG3 GLU 46 HG1 GLU 46 -10.111 5.553 4.500 333 H ASN 47 HN ASN 47 -11.291 3.229 0.192 334 HA ASN 47 HA ASN 47 -13.506 4.267 -1.183 335 HB2 ASN 47 HB2 ASN 47 -11.744 3.240 -2.406 336 HB3 ASN 47 HB1 ASN 47 -11.848 1.762 -1.466 337 HD21 ASN 47 HD21 ASN 47 -11.831 0.786 -3.521 338 HD22 ASN 47 HD22 ASN 47 -13.317 0.549 -4.367 339 H ASN 48 HN ASN 48 -13.102 1.418 0.853 340 HA ASN 48 HA ASN 48 -14.553 0.180 2.050 341 HB2 ASN 48 HB2 ASN 48 -16.153 2.650 1.644 342 HB3 ASN 48 HB1 ASN 48 -16.976 1.216 2.261 343 HD21 ASN 48 HD21 ASN 48 -14.466 3.562 2.867 344 HD22 ASN 48 HD22 ASN 48 -14.262 3.185 4.544 345 H ASN 49 HN ASN 49 -15.263 0.922 -1.191 346 HA ASN 49 HA ASN 49 -16.386 -1.798 -1.346 347 HB2 ASN 49 HB2 ASN 49 -17.989 -0.002 -2.048 348 HB3 ASN 49 HB1 ASN 49 -16.847 0.436 -3.313 349 HD21 ASN 49 HD21 ASN 49 -18.389 -0.030 -4.912 350 HD22 ASN 49 HD22 ASN 49 -18.804 -1.654 -5.334 351 HA PRO 50 HA PRO 50 -12.256 -1.226 -3.576 352 HB2 PRO 50 HB2 PRO 50 -10.783 -2.867 -2.023 353 HB3 PRO 50 HB1 PRO 50 -10.908 -1.139 -1.760 354 HG2 PRO 50 HG2 PRO 50 -12.251 -3.367 -0.339 355 HG3 PRO 50 HG1 PRO 50 -11.678 -1.816 0.277 356 HD2 PRO 50 HD2 PRO 50 -14.282 -2.390 -0.273 357 HD3 PRO 50 HD1 PRO 50 -13.607 -0.760 -0.255 358 H THR 51 HN THR 51 -11.860 -2.470 -5.225 359 HA THR 51 HA THR 51 -12.613 -5.304 -5.116 360 HB THR 51 HB THR 51 -14.179 -4.130 -6.545 361 HG1 THR 51 HG1 THR 51 -14.025 -5.595 -8.099 362 HG21 THR 51 HG21 THR 51 -12.871 -2.141 -7.063 363 HG22 THR 51 HG22 THR 51 -13.423 -2.903 -8.553 364 HG23 THR 51 HG23 THR 51 -11.750 -3.101 -8.030 365 H CYS 52 HN CYS 52 -11.178 -6.776 -6.176 366 HA CYS 52 HA CYS 52 -8.563 -5.751 -6.859 367 HB2 CYS 52 HB2 CYS 52 -9.866 -8.465 -6.827 368 HB3 CYS 52 HB1 CYS 52 -8.375 -8.223 -7.714 369 H ASP 53 HN ASP 53 -7.901 -5.356 -8.909 370 HA ASP 53 HA ASP 53 -8.802 -5.495 -11.389 371 HB2 ASP 53 HB2 ASP 53 -11.176 -5.270 -10.549 372 HB3 ASP 53 HB1 ASP 53 -10.764 -3.676 -9.947 373 H ILE 54 HN ILE 54 -9.029 -3.046 -8.876 374 HA ILE 54 HA ILE 54 -7.694 -1.002 -10.355 375 HB ILE 54 HB ILE 54 -8.171 -1.222 -7.386 376 HG12 ILE 54 HG12 ILE 54 -9.843 0.148 -9.510 377 HG13 ILE 54 HG11 ILE 54 -10.260 -1.360 -8.701 378 HG21 ILE 54 HG21 ILE 54 -7.764 1.158 -7.319 379 HG22 ILE 54 HG22 ILE 54 -7.585 1.210 -9.073 380 HG23 ILE 54 HG23 ILE 54 -6.387 0.344 -8.092 381 HD11 ILE 54 HD11 ILE 54 -9.979 1.347 -7.404 382 HD12 ILE 54 HD12 ILE 54 -10.351 -0.155 -6.562 383 HD13 ILE 54 HD13 ILE 54 -11.487 0.496 -7.743 384 H ASN 55 HN ASN 55 -5.730 -1.851 -10.984 385 HA ASN 55 HA ASN 55 -3.511 -2.342 -10.807 386 HB2 ASN 55 HB2 ASN 55 -3.583 -0.536 -9.008 387 HB3 ASN 55 HB1 ASN 55 -3.700 -1.833 -7.845 388 HD21 ASN 55 HD21 ASN 55 -1.725 -1.466 -6.889 389 HD22 ASN 55 HD22 ASN 55 -0.225 -1.724 -7.705 390 H ASN 56 HN ASN 56 -5.262 -3.436 -8.039 391 HA ASN 56 HA ASN 56 -5.362 -6.118 -8.206 392 HB2 ASN 56 HB2 ASN 56 -3.411 -6.951 -6.943 393 HB3 ASN 56 HB1 ASN 56 -2.962 -6.299 -8.514 394 HD21 ASN 56 HD21 ASN 56 -1.103 -6.625 -6.775 395 HD22 ASN 56 HD22 ASN 56 -0.601 -5.110 -6.141 396 H GLY 57 HN GLY 57 -6.780 -4.071 -7.092 397 HA2 GLY 57 HA2 GLY 57 -8.156 -3.952 -5.233 398 HA3 GLY 57 HA1 GLY 57 -7.101 -5.098 -4.421 399 H GLY 58 HN GLY 58 -5.022 -2.875 -5.545 400 HA2 GLY 58 HA2 GLY 58 -4.385 -0.751 -4.596 401 HA3 GLY 58 HA1 GLY 58 -5.273 -1.193 -3.142 402 H CYS 59 HN CYS 59 -3.344 -3.511 -4.765 403 HA CYS 59 HA CYS 59 -1.539 -3.672 -2.448 404 HB2 CYS 59 HB2 CYS 59 -2.135 -5.855 -4.448 405 HB3 CYS 59 HB1 CYS 59 -1.314 -6.016 -2.914 406 H ASP 60 HN ASP 60 0.445 -5.028 -3.224 407 HA ASP 60 HA ASP 60 1.674 -3.643 -5.500 408 HB2 ASP 60 HB2 ASP 60 2.767 -3.806 -3.230 409 HB3 ASP 60 HB1 ASP 60 2.823 -5.547 -3.439 410 HA PRO 61 HA PRO 61 0.845 -7.017 -8.174 411 HB2 PRO 61 HB2 PRO 61 3.673 -6.915 -9.057 412 HB3 PRO 61 HB1 PRO 61 2.195 -6.745 -10.001 413 HG2 PRO 61 HG2 PRO 61 3.812 -4.671 -9.372 414 HG3 PRO 61 HG1 PRO 61 2.066 -4.500 -9.624 415 HD2 PRO 61 HD2 PRO 61 3.631 -4.400 -7.125 416 HD3 PRO 61 HD1 PRO 61 2.054 -3.699 -7.505 417 H THR 62 HN THR 62 3.504 -7.098 -5.969 418 HA THR 62 HA THR 62 3.906 -9.969 -6.247 419 HB THR 62 HB THR 62 5.679 -9.679 -4.602 420 HG1 THR 62 HG1 THR 62 5.092 -6.897 -4.479 421 HG21 THR 62 HG21 THR 62 7.073 -8.030 -5.807 422 HG22 THR 62 HG22 THR 62 5.627 -7.454 -6.647 423 HG23 THR 62 HG23 THR 62 6.206 -9.101 -6.909 424 H ALA 63 HN ALA 63 2.236 -7.675 -4.273 425 HA ALA 63 HA ALA 63 1.541 -9.544 -2.201 426 HB1 ALA 63 HB1 ALA 63 0.403 -6.821 -2.854 427 HB2 ALA 63 HB2 ALA 63 1.675 -7.161 -1.679 428 HB3 ALA 63 HB3 ALA 63 0.039 -7.771 -1.410 429 H SER 64 HN SER 64 0.336 -11.198 -2.782 430 HA SER 64 HA SER 64 -1.445 -11.303 -4.933 431 HB2 SER 64 HB2 SER 64 -0.533 -12.960 -2.734 432 HB3 SER 64 HB1 SER 64 -2.212 -13.245 -3.115 433 HG SER 64 HG SER 64 -1.592 -13.631 -5.284 434 H CYS 65 HN CYS 65 -3.249 -10.065 -5.074 435 HA CYS 65 HA CYS 65 -4.486 -8.976 -2.762 436 HB2 CYS 65 HB2 CYS 65 -5.481 -7.537 -4.214 437 HB3 CYS 65 HB1 CYS 65 -4.168 -8.036 -5.221 438 H GLN 66 HN GLN 66 -6.604 -9.123 -2.215 439 HA GLN 66 HA GLN 66 -8.255 -11.297 -3.281 440 HB2 GLN 66 HB2 GLN 66 -7.975 -10.768 -0.324 441 HB3 GLN 66 HB1 GLN 66 -8.828 -12.093 -1.096 442 HG2 GLN 66 HG2 GLN 66 -5.923 -11.844 -1.551 443 HG3 GLN 66 HG1 GLN 66 -6.477 -12.385 0.021 444 HE21 GLN 66 HE21 GLN 66 -5.689 -14.456 -0.211 445 HE22 GLN 66 HE22 GLN 66 -6.384 -15.613 -1.299 446 H ASN 67 HN ASN 67 -10.411 -10.658 -3.398 447 HA ASN 67 HA ASN 67 -11.064 -8.135 -2.077 448 HB2 ASN 67 HB2 ASN 67 -13.311 -8.525 -3.405 449 HB3 ASN 67 HB1 ASN 67 -11.904 -7.812 -4.161 450 HD21 ASN 67 HD21 ASN 67 -12.663 -8.436 -6.193 451 HD22 ASN 67 HD22 ASN 67 -12.572 -10.070 -6.746 452 H ALA 68 HN ALA 68 -12.340 -7.989 -0.453 453 HA ALA 68 HA ALA 68 -13.972 -10.224 0.422 454 HB1 ALA 68 HB1 ALA 68 -11.849 -10.809 1.377 455 HB2 ALA 68 HB2 ALA 68 -12.908 -10.229 2.666 456 HB3 ALA 68 HB3 ALA 68 -11.645 -9.179 2.016 457 H GLU 69 HN GLU 69 -15.450 -9.624 2.105 458 HA GLU 69 HA GLU 69 -15.763 -6.718 2.357 459 HB2 GLU 69 HB2 GLU 69 -17.858 -8.877 2.572 460 HB3 GLU 69 HB1 GLU 69 -18.150 -7.153 2.739 461 HG2 GLU 69 HG2 GLU 69 -17.570 -6.765 0.454 462 HG3 GLU 69 HG1 GLU 69 -17.055 -8.440 0.253 463 H SER 70 HN SER 70 -14.963 -6.099 4.144 464 HA SER 70 HA SER 70 -15.562 -7.542 6.633 465 HB2 SER 70 HB2 SER 70 -13.208 -7.904 5.943 466 HB3 SER 70 HB1 SER 70 -12.965 -6.160 5.895 467 HG SER 70 HG SER 70 -12.509 -7.637 7.928 468 H THR 71 HN THR 71 -15.516 -6.122 8.554 469 HA THR 71 HA THR 71 -16.870 -3.665 8.137 470 HB THR 71 HB THR 71 -17.158 -4.963 10.197 471 HG1 THR 71 HG1 THR 71 -16.802 -2.354 10.098 472 HG21 THR 71 HG21 THR 71 -14.949 -5.886 10.456 473 HG22 THR 71 HG22 THR 71 -15.365 -4.981 11.913 474 HG23 THR 71 HG23 THR 71 -14.266 -4.279 10.724 475 H GLU 72 HN GLU 72 -13.622 -4.645 8.289 476 HA GLU 72 HA GLU 72 -12.531 -1.966 8.506 477 HB2 GLU 72 HB2 GLU 72 -11.484 -4.748 8.548 478 HB3 GLU 72 HB1 GLU 72 -10.375 -3.467 8.111 479 HG2 GLU 72 HG2 GLU 72 -11.984 -3.608 10.642 480 HG3 GLU 72 HG1 GLU 72 -10.279 -4.049 10.476 481 H ASN 73 HN ASN 73 -12.663 -0.804 6.665 482 HA ASN 73 HA ASN 73 -12.667 -1.725 4.022 483 HB2 ASN 73 HB2 ASN 73 -11.278 0.668 3.888 484 HB3 ASN 73 HB1 ASN 73 -13.020 0.498 3.789 485 HD21 ASN 73 HD21 ASN 73 -14.271 1.070 5.564 486 HD22 ASN 73 HD22 ASN 73 -13.625 1.906 6.942 487 H SER 74 HN SER 74 -10.026 -0.935 6.196 488 HA SER 74 HA SER 74 -7.971 -1.285 4.293 489 HB2 SER 74 HB2 SER 74 -6.561 -1.501 6.466 490 HB3 SER 74 HB1 SER 74 -7.379 0.030 6.143 491 HG SER 74 HG SER 74 -7.717 -1.684 8.209 492 H LYS 75 HN LYS 75 -9.953 -3.465 5.926 493 HA LYS 75 HA LYS 75 -8.025 -5.650 5.535 494 HB2 LYS 75 HB2 LYS 75 -8.917 -5.072 7.868 495 HB3 LYS 75 HB1 LYS 75 -10.445 -5.745 7.323 496 HG2 LYS 75 HG2 LYS 75 -9.043 -7.269 8.642 497 HG3 LYS 75 HG1 LYS 75 -9.447 -7.890 7.038 498 HD2 LYS 75 HD2 LYS 75 -7.041 -8.166 7.804 499 HD3 LYS 75 HD1 LYS 75 -7.282 -7.451 6.213 500 HE2 LYS 75 HE2 LYS 75 -7.090 -5.208 7.304 501 HE3 LYS 75 HE1 LYS 75 -6.621 -6.033 8.790 502 HZ1 LYS 75 HZ1 LYS 75 -5.181 -6.160 6.192 503 HZ2 LYS 75 HZ2 LYS 75 -4.732 -6.995 7.595 504 HZ3 LYS 75 HZ3 LYS 75 -4.686 -5.298 7.566 505 H LYS 76 HN LYS 76 -10.092 -4.301 3.728 506 HA LYS 76 HA LYS 76 -11.852 -6.513 3.136 507 HB2 LYS 76 HB2 LYS 76 -11.441 -3.900 1.725 508 HB3 LYS 76 HB1 LYS 76 -12.596 -5.126 1.231 509 HG2 LYS 76 HG2 LYS 76 -13.701 -4.890 3.447 510 HG3 LYS 76 HG1 LYS 76 -12.609 -3.539 3.782 511 HD2 LYS 76 HD2 LYS 76 -13.413 -2.634 1.504 512 HD3 LYS 76 HD1 LYS 76 -14.730 -3.775 1.699 513 HE2 LYS 76 HE2 LYS 76 -14.047 -1.676 3.732 514 HE3 LYS 76 HE1 LYS 76 -15.186 -1.427 2.415 515 HZ1 LYS 76 HZ1 LYS 76 -16.316 -2.046 4.463 516 HZ2 LYS 76 HZ2 LYS 76 -15.450 -3.501 4.532 517 HZ3 LYS 76 HZ3 LYS 76 -16.544 -3.223 3.263 518 H ILE 77 HN ILE 77 -9.226 -4.778 1.536 519 HA ILE 77 HA ILE 77 -8.936 -6.984 -0.347 520 HB ILE 77 HB ILE 77 -7.475 -4.346 -0.212 521 HG12 ILE 77 HG12 ILE 77 -9.823 -4.096 -0.848 522 HG13 ILE 77 HG11 ILE 77 -8.776 -3.800 -2.234 523 HG21 ILE 77 HG21 ILE 77 -6.060 -6.050 -1.211 524 HG22 ILE 77 HG22 ILE 77 -6.613 -4.910 -2.443 525 HG23 ILE 77 HG23 ILE 77 -7.363 -6.503 -2.313 526 HD11 ILE 77 HD11 ILE 77 -10.216 -6.383 -1.679 527 HD12 ILE 77 HD12 ILE 77 -9.249 -6.004 -3.106 528 HD13 ILE 77 HD13 ILE 77 -10.757 -5.134 -2.803 529 H ILE 78 HN ILE 78 -7.701 -8.585 0.161 530 HA ILE 78 HA ILE 78 -5.766 -8.293 2.327 531 HB ILE 78 HB ILE 78 -6.637 -10.813 0.900 532 HG12 ILE 78 HG12 ILE 78 -7.790 -11.218 3.186 533 HG13 ILE 78 HG11 ILE 78 -7.649 -9.478 3.403 534 HG21 ILE 78 HG21 ILE 78 -4.441 -10.997 1.897 535 HG22 ILE 78 HG22 ILE 78 -5.611 -11.971 2.790 536 HG23 ILE 78 HG23 ILE 78 -5.075 -10.421 3.439 537 HD11 ILE 78 HD11 ILE 78 -9.085 -10.857 1.149 538 HD12 ILE 78 HD12 ILE 78 -8.957 -9.113 1.382 539 HD13 ILE 78 HD13 ILE 78 -9.843 -10.097 2.548 540 H CYS 79 HN CYS 79 -3.905 -7.503 1.611 541 HA CYS 79 HA CYS 79 -2.794 -8.493 -0.903 542 HB2 CYS 79 HB2 CYS 79 -1.771 -6.251 0.838 543 HB3 CYS 79 HB1 CYS 79 -1.324 -6.596 -0.827 544 H THR 80 HN THR 80 -1.517 -10.176 -0.767 545 HA THR 80 HA THR 80 0.014 -10.631 1.702 546 HB THR 80 HB THR 80 -0.821 -12.602 -0.440 547 HG1 THR 80 HG1 THR 80 -2.097 -11.620 1.734 548 HG21 THR 80 HG21 THR 80 -0.007 -14.315 1.122 549 HG22 THR 80 HG22 THR 80 0.561 -13.046 2.210 550 HG23 THR 80 HG23 THR 80 1.286 -13.230 0.613 551 H CYS 81 HN CYS 81 2.073 -9.968 1.501 552 HA CYS 81 HA CYS 81 3.354 -9.886 -1.095 553 HB2 CYS 81 HB2 CYS 81 4.664 -9.381 1.585 554 HB3 CYS 81 HB1 CYS 81 5.181 -8.808 0.007 555 H LYS 82 HN LYS 82 5.382 -11.047 -1.498 556 HA LYS 82 HA LYS 82 4.803 -13.800 -0.798 557 HB2 LYS 82 HB2 LYS 82 6.615 -12.654 -2.915 558 HB3 LYS 82 HB1 LYS 82 6.209 -14.355 -2.730 559 HG2 LYS 82 HG2 LYS 82 4.222 -12.163 -3.271 560 HG3 LYS 82 HG1 LYS 82 4.923 -13.219 -4.498 561 HD2 LYS 82 HD2 LYS 82 3.907 -15.147 -3.523 562 HD3 LYS 82 HD1 LYS 82 3.388 -14.222 -2.112 563 HE2 LYS 82 HE2 LYS 82 1.727 -13.104 -3.290 564 HE3 LYS 82 HE1 LYS 82 2.485 -13.426 -4.854 565 HZ1 LYS 82 HZ1 LYS 82 1.178 -15.443 -3.103 566 HZ2 LYS 82 HZ2 LYS 82 1.869 -15.749 -4.622 567 HZ3 LYS 82 HZ3 LYS 82 0.494 -14.762 -4.500 568 H GLU 83 HN GLU 83 6.958 -15.197 -1.145 569 HA GLU 83 HA GLU 83 8.214 -15.215 1.288 570 HB2 GLU 83 HB2 GLU 83 9.248 -16.359 -1.295 571 HB3 GLU 83 HB1 GLU 83 9.758 -16.841 0.316 572 HG2 GLU 83 HG2 GLU 83 7.493 -17.579 0.801 573 HG3 GLU 83 HG1 GLU 83 6.983 -17.096 -0.811 574 HA PRO 84 HA PRO 84 12.168 -13.132 -0.485 575 HB2 PRO 84 HB2 PRO 84 12.029 -11.577 -2.667 576 HB3 PRO 84 HB1 PRO 84 12.214 -13.328 -2.790 577 HG2 PRO 84 HG2 PRO 84 9.745 -11.665 -3.079 578 HG3 PRO 84 HG1 PRO 84 10.302 -13.019 -4.078 579 HD2 PRO 84 HD2 PRO 84 8.415 -13.270 -2.122 580 HD3 PRO 84 HD1 PRO 84 9.494 -14.587 -2.612 581 H THR 85 HN THR 85 9.188 -11.810 0.010 582 HA THR 85 HA THR 85 10.229 -9.119 0.564 583 HB THR 85 HB THR 85 8.056 -8.248 0.159 584 HG1 THR 85 HG1 THR 85 7.214 -10.595 1.083 585 HG21 THR 85 HG21 THR 85 8.554 -10.507 -1.789 586 HG22 THR 85 HG22 THR 85 9.092 -8.829 -1.929 587 HG23 THR 85 HG23 THR 85 7.375 -9.217 -2.044 588 HA PRO 86 HA PRO 86 9.565 -11.130 4.644 589 HB2 PRO 86 HB2 PRO 86 11.832 -9.436 5.429 590 HB3 PRO 86 HB1 PRO 86 11.671 -11.192 5.529 591 HG2 PRO 86 HG2 PRO 86 13.333 -10.085 3.772 592 HG3 PRO 86 HG1 PRO 86 12.343 -11.488 3.304 593 HD2 PRO 86 HD2 PRO 86 11.788 -8.563 2.845 594 HD3 PRO 86 HD1 PRO 86 11.821 -9.872 1.646 595 H ASN 87 HN ASN 87 9.183 -8.103 3.448 596 HA ASN 87 HA ASN 87 7.746 -7.225 5.818 597 HB2 ASN 87 HB2 ASN 87 9.441 -5.361 4.190 598 HB3 ASN 87 HB1 ASN 87 8.529 -4.964 5.633 599 HD21 ASN 87 HD21 ASN 87 11.361 -6.124 4.305 600 HD22 ASN 87 HD22 ASN 87 12.290 -6.283 5.744 601 H ALA 88 HN ALA 88 6.429 -5.237 5.161 602 HA ALA 88 HA ALA 88 5.768 -5.263 2.293 603 HB1 ALA 88 HB1 ALA 88 4.000 -6.446 3.519 604 HB2 ALA 88 HB2 ALA 88 3.411 -4.919 2.863 605 HB3 ALA 88 HB3 ALA 88 3.799 -5.050 4.578 606 H TYR 89 HN TYR 89 5.535 -3.216 1.404 607 HA TYR 89 HA TYR 89 6.267 -0.937 2.977 608 HB2 TYR 89 HB2 TYR 89 4.783 -0.840 0.340 609 HB3 TYR 89 HB1 TYR 89 5.805 0.407 1.020 610 HD1 TYR 89 HD1 TYR 89 7.976 -2.036 1.639 611 HD2 TYR 89 HD2 TYR 89 5.979 -0.392 -1.725 612 HE1 TYR 89 HE1 TYR 89 9.827 -2.733 0.185 613 HE2 TYR 89 HE2 TYR 89 7.798 -1.096 -3.186 614 HH TYR 89 HH TYR 89 10.312 -3.169 -2.199 615 H TYR 90 HN TYR 90 4.961 -0.433 4.591 616 HA TYR 90 HA TYR 90 3.152 -0.030 5.867 617 HB2 TYR 90 HB2 TYR 90 2.466 1.159 3.487 618 HB3 TYR 90 HB1 TYR 90 1.090 0.110 3.807 619 HD1 TYR 90 HD1 TYR 90 2.525 3.238 4.473 620 HD2 TYR 90 HD2 TYR 90 0.164 0.205 6.276 621 HE1 TYR 90 HE1 TYR 90 1.737 4.853 6.136 622 HE2 TYR 90 HE2 TYR 90 -0.652 1.818 7.942 623 HH TYR 90 HH TYR 90 -0.296 5.126 7.636 624 H GLU 91 HN GLU 91 0.593 -1.185 4.061 625 HA GLU 91 HA GLU 91 0.477 -3.482 5.868 626 HB2 GLU 91 HB2 GLU 91 -1.788 -2.693 4.091 627 HB3 GLU 91 HB1 GLU 91 -1.830 -3.419 5.689 628 HG2 GLU 91 HG2 GLU 91 -0.946 -1.211 6.555 629 HG3 GLU 91 HG1 GLU 91 -1.301 -0.568 4.951 630 H GLY 92 HN GLY 92 1.582 -3.059 2.830 631 HA2 GLY 92 HA2 GLY 92 2.012 -5.064 1.457 632 HA3 GLY 92 HA1 GLY 92 0.363 -5.565 1.827 633 H VAL 93 HN VAL 93 0.270 -2.335 1.563 634 HA VAL 93 HA VAL 93 -1.044 -2.076 -0.854 635 HB VAL 93 HB VAL 93 0.733 0.050 0.390 636 HG11 VAL 93 HG11 VAL 93 -0.127 0.667 -1.750 637 HG12 VAL 93 HG12 VAL 93 -0.963 1.588 -0.498 638 HG13 VAL 93 HG13 VAL 93 -1.763 0.215 -1.266 639 HG21 VAL 93 HG21 VAL 93 -0.625 -0.896 2.160 640 HG22 VAL 93 HG22 VAL 93 -2.080 -0.691 1.185 641 HG23 VAL 93 HG23 VAL 93 -1.191 0.724 1.752 642 H PHE 94 HN PHE 94 2.314 -2.058 -0.030 643 HA PHE 94 HA PHE 94 2.975 -2.823 -2.698 644 HB2 PHE 94 HB2 PHE 94 5.097 -1.141 -2.278 645 HB3 PHE 94 HB1 PHE 94 3.766 -0.835 -3.366 646 HD1 PHE 94 HD1 PHE 94 2.343 -0.324 -0.190 647 HD2 PHE 94 HD2 PHE 94 5.177 1.385 -2.859 648 HE1 PHE 94 HE1 PHE 94 2.011 1.858 0.865 649 HE2 PHE 94 HE2 PHE 94 4.843 3.574 -1.803 650 HZ PHE 94 HZ PHE 94 3.254 3.817 0.060 651 H CYS 95 HN CYS 95 5.217 -3.822 -2.747 652 HA CYS 95 HA CYS 95 6.192 -4.610 -0.085 653 HB2 CYS 95 HB2 CYS 95 5.613 -6.756 -2.126 654 HB3 CYS 95 HB1 CYS 95 5.934 -6.942 -0.407 655 H SER 96 HN SER 96 8.340 -5.766 -0.205 656 HA SER 96 HA SER 96 9.746 -5.065 -2.713 657 HB2 SER 96 HB2 SER 96 10.328 -3.826 -0.454 658 HB3 SER 96 HB1 SER 96 11.300 -5.277 -0.139 659 HG SER 96 HG SER 96 12.697 -4.525 -1.516 660 H SER 97 HN SER 97 10.465 -6.712 -3.789 661 HA SER 97 HA SER 97 10.656 -9.332 -2.619 662 HB2 SER 97 HB2 SER 97 11.535 -9.882 -4.983 663 HB3 SER 97 HB1 SER 97 9.876 -9.297 -4.859 664 HG SER 97 HG SER 97 11.345 -8.291 -6.496 665 H SER 98 HN SER 98 12.703 -6.705 -3.291 666 HA SER 98 HA SER 98 14.656 -7.843 -1.526 667 HB2 SER 98 HB2 SER 98 15.378 -8.499 -3.908 668 HB3 SER 98 HB1 SER 98 15.632 -6.776 -4.185 669 HG SER 98 HG SER 98 17.538 -7.907 -3.488 670 H SER 99 HN SER 99 14.473 -6.304 -0.073 671 HA SER 99 HA SER 99 13.340 -3.900 -0.174 672 HB2 SER 99 HB2 SER 99 13.984 -3.788 1.953 673 HB3 SER 99 HB1 SER 99 14.963 -5.217 1.671 674 HG SER 99 HG SER 99 16.467 -3.345 0.768 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 18.155 -2.005 -3.141 2 H2 GLY 1 HT2 GLY 1 17.215 -1.898 -4.546 3 H3 GLY 1 HT3 GLY 1 18.166 -3.274 -4.269 4 HA2 GLY 1 HA2 GLY 1 15.897 -3.816 -3.812 5 HA3 GLY 1 HA1 GLY 1 15.770 -2.424 -2.745 6 H VAL 2 HN VAL 2 14.994 -4.306 -1.368 7 HA VAL 2 HA VAL 2 16.768 -6.159 -0.230 8 HB VAL 2 HB VAL 2 17.829 -3.917 0.487 9 HG11 VAL 2 HG11 VAL 2 15.401 -3.906 2.274 10 HG12 VAL 2 HG12 VAL 2 15.839 -2.702 1.061 11 HG13 VAL 2 HG13 VAL 2 16.829 -2.893 2.507 12 HG21 VAL 2 HG21 VAL 2 17.106 -5.650 2.825 13 HG22 VAL 2 HG22 VAL 2 18.620 -4.810 2.492 14 HG23 VAL 2 HG23 VAL 2 18.166 -6.224 1.537 15 H ASP 3 HN ASP 3 15.834 -6.722 2.132 16 HA ASP 3 HA ASP 3 13.192 -7.366 2.105 17 HB2 ASP 3 HB2 ASP 3 13.375 -7.259 4.646 18 HB3 ASP 3 HB1 ASP 3 14.499 -8.310 3.807 19 HA PRO 4 HA PRO 4 11.215 -3.543 1.391 20 HB2 PRO 4 HB2 PRO 4 8.795 -4.569 2.486 21 HB3 PRO 4 HB1 PRO 4 9.252 -4.375 0.799 22 HG2 PRO 4 HG2 PRO 4 9.329 -6.753 2.516 23 HG3 PRO 4 HG1 PRO 4 9.247 -6.648 0.753 24 HD2 PRO 4 HD2 PRO 4 11.432 -7.458 2.070 25 HD3 PRO 4 HD1 PRO 4 11.527 -6.560 0.548 26 H LYS 5 HN LYS 5 11.502 -4.693 4.698 27 HA LYS 5 HA LYS 5 9.679 -2.734 5.737 28 HB2 LYS 5 HB2 LYS 5 10.525 -3.410 7.982 29 HB3 LYS 5 HB1 LYS 5 9.841 -4.699 7.027 30 HG2 LYS 5 HG2 LYS 5 11.755 -5.567 8.118 31 HG3 LYS 5 HG1 LYS 5 12.188 -5.367 6.422 32 HD2 LYS 5 HD2 LYS 5 13.416 -3.373 6.900 33 HD3 LYS 5 HD1 LYS 5 12.813 -3.334 8.556 34 HE2 LYS 5 HE2 LYS 5 14.084 -5.253 9.150 35 HE3 LYS 5 HE1 LYS 5 14.497 -5.576 7.465 36 HZ1 LYS 5 HZ1 LYS 5 15.774 -3.537 7.413 37 HZ2 LYS 5 HZ2 LYS 5 16.333 -4.548 8.654 38 HZ3 LYS 5 HZ3 LYS 5 15.366 -3.203 9.024 39 H HIS 6 HN HIS 6 12.284 -1.945 4.281 40 HA HIS 6 HA HIS 6 13.773 -0.496 6.222 41 HB2 HIS 6 HB2 HIS 6 14.726 0.660 4.112 42 HB3 HIS 6 HB1 HIS 6 15.074 -1.046 4.387 43 HD1 HIS 6 HD1 HIS 6 13.578 -2.738 2.932 44 HD2 HIS 6 HD2 HIS 6 13.557 1.249 1.785 45 HE1 HIS 6 HE1 HIS 6 12.560 -2.693 0.637 46 HE2 HIS 6 HE2 HIS 6 12.920 -0.346 -0.157 47 H VAL 7 HN VAL 7 10.797 0.035 5.682 48 HA VAL 7 HA VAL 7 9.334 1.710 5.932 49 HB VAL 7 HB VAL 7 9.809 3.261 7.693 50 HG11 VAL 7 HG11 VAL 7 10.621 1.646 9.413 51 HG12 VAL 7 HG12 VAL 7 11.038 0.538 8.101 52 HG13 VAL 7 HG13 VAL 7 9.361 1.012 8.358 53 HG21 VAL 7 HG21 VAL 7 12.715 2.491 7.398 54 HG22 VAL 7 HG22 VAL 7 12.044 3.467 8.706 55 HG23 VAL 7 HG23 VAL 7 12.007 4.070 7.048 56 H CYS 8 HN CYS 8 9.925 4.557 6.396 57 HA CYS 8 HA CYS 8 10.877 5.498 3.828 58 HB2 CYS 8 HB2 CYS 8 8.761 4.740 3.124 59 HB3 CYS 8 HB1 CYS 8 7.969 5.342 4.555 60 H VAL 9 HN VAL 9 10.888 7.708 3.591 61 HA VAL 9 HA VAL 9 9.537 9.440 5.467 62 HB VAL 9 HB VAL 9 11.714 10.900 5.382 63 HG11 VAL 9 HG11 VAL 9 10.774 10.033 7.461 64 HG12 VAL 9 HG12 VAL 9 12.534 9.906 7.474 65 HG13 VAL 9 HG13 VAL 9 11.549 8.474 7.168 66 HG21 VAL 9 HG21 VAL 9 12.902 9.466 3.828 67 HG22 VAL 9 HG22 VAL 9 12.790 8.118 4.964 68 HG23 VAL 9 HG23 VAL 9 13.772 9.533 5.368 69 H ASP 10 HN ASP 10 8.266 10.303 3.908 70 HA ASP 10 HA ASP 10 9.556 11.132 1.413 71 HB2 ASP 10 HB2 ASP 10 8.529 9.030 0.944 72 HB3 ASP 10 HB1 ASP 10 7.042 9.512 1.727 73 H THR 11 HN THR 11 8.318 12.682 0.170 74 HA THR 11 HA THR 11 7.126 14.595 -0.084 75 HB THR 11 HB THR 11 5.372 12.259 0.415 76 HG1 THR 11 HG1 THR 11 6.279 12.056 -1.504 77 HG21 THR 11 HG21 THR 11 4.449 15.023 -0.324 78 HG22 THR 11 HG22 THR 11 3.895 14.003 1.011 79 HG23 THR 11 HG23 THR 11 3.513 13.564 -0.657 80 H ARG 12 HN ARG 12 7.124 16.294 1.059 81 HA ARG 12 HA ARG 12 6.617 16.943 3.589 82 HB2 ARG 12 HB2 ARG 12 5.247 18.972 2.321 83 HB3 ARG 12 HB1 ARG 12 6.953 18.919 2.634 84 HG2 ARG 12 HG2 ARG 12 6.415 19.530 0.322 85 HG3 ARG 12 HG1 ARG 12 7.407 18.073 0.438 86 HD2 ARG 12 HD2 ARG 12 5.515 16.683 0.124 87 HD3 ARG 12 HD1 ARG 12 4.422 18.066 0.191 88 HE ARG 12 HE ARG 12 6.405 18.141 -1.932 89 HH11 ARG 12 HH11 ARG 12 3.114 17.318 -1.027 90 HH12 ARG 12 HH12 ARG 12 2.551 17.236 -2.665 91 HH21 ARG 12 HH21 ARG 12 5.655 18.091 -4.072 92 HH22 ARG 12 HH22 ARG 12 3.980 17.733 -4.402 93 H ASP 13 HN ASP 13 4.088 15.996 1.356 94 HA ASP 13 HA ASP 13 2.145 16.194 3.516 95 HB2 ASP 13 HB2 ASP 13 2.089 18.342 2.244 96 HB3 ASP 13 HB1 ASP 13 1.663 17.429 0.799 97 H ILE 14 HN ILE 14 2.426 13.902 3.383 98 HA ILE 14 HA ILE 14 1.340 12.524 1.079 99 HB ILE 14 HB ILE 14 2.265 11.530 3.781 100 HG12 ILE 14 HG12 ILE 14 3.565 10.690 1.270 101 HG13 ILE 14 HG11 ILE 14 3.751 12.391 1.690 102 HG21 ILE 14 HG21 ILE 14 2.140 9.253 2.759 103 HG22 ILE 14 HG22 ILE 14 1.253 9.964 1.405 104 HG23 ILE 14 HG23 ILE 14 0.560 10.007 3.027 105 HD11 ILE 14 HD11 ILE 14 4.741 11.819 3.779 106 HD12 ILE 14 HD12 ILE 14 5.581 10.958 2.487 107 HD13 ILE 14 HD13 ILE 14 4.423 10.101 3.514 108 HA PRO 15 HA PRO 15 -2.878 12.867 2.206 109 HB2 PRO 15 HB2 PRO 15 -3.011 10.110 1.089 110 HB3 PRO 15 HB1 PRO 15 -3.979 11.531 0.712 111 HG2 PRO 15 HG2 PRO 15 -2.120 10.801 -0.977 112 HG3 PRO 15 HG1 PRO 15 -2.275 12.518 -0.555 113 HD2 PRO 15 HD2 PRO 15 -0.355 10.476 0.483 114 HD3 PRO 15 HD1 PRO 15 -0.024 12.124 -0.065 115 H LYS 16 HN LYS 16 -4.295 12.239 3.726 116 HA LYS 16 HA LYS 16 -3.320 11.081 6.055 117 HB2 LYS 16 HB2 LYS 16 -5.015 12.768 5.968 118 HB3 LYS 16 HB1 LYS 16 -6.113 11.683 5.139 119 HG2 LYS 16 HG2 LYS 16 -6.199 10.267 7.119 120 HG3 LYS 16 HG1 LYS 16 -5.099 11.371 7.951 121 HD2 LYS 16 HD2 LYS 16 -6.684 13.150 7.833 122 HD3 LYS 16 HD1 LYS 16 -7.740 12.204 6.786 123 HE2 LYS 16 HE2 LYS 16 -7.037 11.485 9.627 124 HE3 LYS 16 HE1 LYS 16 -8.523 12.302 9.142 125 HZ1 LYS 16 HZ1 LYS 16 -7.658 9.580 8.318 126 HZ2 LYS 16 HZ2 LYS 16 -9.054 10.365 7.762 127 HZ3 LYS 16 HZ3 LYS 16 -8.909 9.951 9.398 128 H ASN 17 HN ASN 17 -5.334 9.745 3.530 129 HA ASN 17 HA ASN 17 -5.538 7.222 4.992 130 HB2 ASN 17 HB2 ASN 17 -6.843 8.141 2.411 131 HB3 ASN 17 HB1 ASN 17 -7.107 6.580 3.162 132 HD21 ASN 17 HD21 ASN 17 -6.749 9.450 5.071 133 HD22 ASN 17 HD22 ASN 17 -8.398 9.575 5.557 134 H ALA 18 HN ALA 18 -3.081 8.262 4.013 135 HA ALA 18 HA ALA 18 -2.373 6.230 2.014 136 HB1 ALA 18 HB1 ALA 18 -1.495 9.118 1.934 137 HB2 ALA 18 HB2 ALA 18 -2.654 8.361 0.842 138 HB3 ALA 18 HB3 ALA 18 -0.970 7.838 0.836 139 H GLY 19 HN GLY 19 -0.200 5.652 2.019 140 HA2 GLY 19 HA2 GLY 19 1.390 6.628 4.299 141 HA3 GLY 19 HA1 GLY 19 1.263 4.899 3.967 142 H CYS 20 HN CYS 20 3.687 6.348 4.024 143 HA CYS 20 HA CYS 20 4.323 6.658 1.180 144 HB2 CYS 20 HB2 CYS 20 5.863 8.299 1.716 145 HB3 CYS 20 HB1 CYS 20 4.618 8.581 2.918 146 H PHE 21 HN PHE 21 6.166 5.755 0.367 147 HA PHE 21 HA PHE 21 7.699 4.028 2.170 148 HB2 PHE 21 HB2 PHE 21 6.424 2.486 0.980 149 HB3 PHE 21 HB1 PHE 21 6.632 3.343 -0.538 150 HD1 PHE 21 HD1 PHE 21 8.679 1.913 2.081 151 HD2 PHE 21 HD2 PHE 21 8.133 2.405 -2.049 152 HE1 PHE 21 HE1 PHE 21 10.625 0.500 1.677 153 HE2 PHE 21 HE2 PHE 21 10.095 0.998 -2.484 154 HZ PHE 21 HZ PHE 21 11.350 0.040 -0.564 155 H ARG 22 HN ARG 22 9.853 4.018 1.922 156 HA ARG 22 HA ARG 22 10.993 5.345 -0.424 157 HB2 ARG 22 HB2 ARG 22 11.319 7.097 1.044 158 HB3 ARG 22 HB1 ARG 22 11.459 6.049 2.431 159 HG2 ARG 22 HG2 ARG 22 13.651 5.389 1.796 160 HG3 ARG 22 HG1 ARG 22 13.517 6.260 0.279 161 HD2 ARG 22 HD2 ARG 22 12.968 7.980 2.510 162 HD3 ARG 22 HD1 ARG 22 14.539 7.195 2.684 163 HE ARG 22 HE ARG 22 13.935 8.320 0.093 164 HH11 ARG 22 HH11 ARG 22 15.570 8.727 3.178 165 HH12 ARG 22 HH12 ARG 22 16.602 10.001 2.596 166 HH21 ARG 22 HH21 ARG 22 15.322 9.991 -0.658 167 HH22 ARG 22 HH22 ARG 22 16.472 10.702 0.434 168 H ASP 23 HN ASP 23 12.432 4.046 -1.373 169 HA ASP 23 HA ASP 23 12.893 1.564 0.060 170 HB2 ASP 23 HB2 ASP 23 11.875 1.241 -2.013 171 HB3 ASP 23 HB1 ASP 23 13.040 2.259 -2.852 172 H ASP 24 HN ASP 24 14.965 0.439 -0.886 173 HA ASP 24 HA ASP 24 17.215 1.448 0.404 174 HB2 ASP 24 HB2 ASP 24 17.060 -0.866 0.010 175 HB3 ASP 24 HB1 ASP 24 16.699 -0.619 -1.696 176 H ASP 25 HN ASP 25 16.048 1.812 -2.849 177 HA ASP 25 HA ASP 25 18.364 2.838 -4.072 178 HB2 ASP 25 HB2 ASP 25 16.503 2.034 -5.390 179 HB3 ASP 25 HB1 ASP 25 15.429 3.235 -4.683 180 H GLY 26 HN GLY 26 16.021 4.272 -1.954 181 HA2 GLY 26 HA2 GLY 26 16.475 6.367 -0.855 182 HA3 GLY 26 HA1 GLY 26 17.316 6.898 -2.307 183 H THR 27 HN THR 27 15.151 5.678 -3.949 184 HA THR 27 HA THR 27 13.493 7.872 -4.400 185 HB THR 27 HB THR 27 13.133 4.957 -5.039 186 HG1 THR 27 HG1 THR 27 14.819 5.708 -6.226 187 HG21 THR 27 HG21 THR 27 11.478 5.647 -6.722 188 HG22 THR 27 HG22 THR 27 11.576 7.304 -6.130 189 HG23 THR 27 HG23 THR 27 10.942 6.030 -5.087 190 H GLU 28 HN GLU 28 11.436 8.409 -3.775 191 HA GLU 28 HA GLU 28 10.238 6.785 -1.630 192 HB2 GLU 28 HB2 GLU 28 10.167 9.794 -1.849 193 HB3 GLU 28 HB1 GLU 28 9.542 8.811 -0.528 194 HG2 GLU 28 HG2 GLU 28 11.502 8.806 0.478 195 HG3 GLU 28 HG1 GLU 28 12.305 8.215 -0.967 196 H GLU 29 HN GLU 29 8.089 6.509 -1.649 197 HA GLU 29 HA GLU 29 6.414 7.836 -3.643 198 HB2 GLU 29 HB2 GLU 29 7.162 6.043 -4.999 199 HB3 GLU 29 HB1 GLU 29 7.064 4.898 -3.671 200 HG2 GLU 29 HG2 GLU 29 4.644 5.017 -3.721 201 HG3 GLU 29 HG1 GLU 29 4.713 6.199 -5.025 202 H TRP 30 HN TRP 30 4.489 8.258 -2.681 203 HA TRP 30 HA TRP 30 3.700 6.482 -0.499 204 HB2 TRP 30 HB2 TRP 30 2.053 8.162 0.131 205 HB3 TRP 30 HB1 TRP 30 3.664 8.855 0.059 206 HD1 TRP 30 HD TRP 30 3.958 10.958 -1.390 207 HE1 TRP 30 HE1 TRP 30 2.431 12.323 -2.949 208 HE3 TRP 30 HE3 TRP 30 0.028 7.720 -1.648 209 HZ2 TRP 30 HZ2 TRP 30 -0.137 12.043 -4.117 210 HZ3 TRP 30 HZ3 TRP 30 -1.937 8.354 -3.008 211 HH2 TRP 30 HH TRP 30 -2.003 10.473 -4.221 212 H ARG 31 HN ARG 31 1.568 5.708 -0.381 213 HA ARG 31 HA ARG 31 0.075 5.564 -2.898 214 HB2 ARG 31 HB2 ARG 31 0.920 3.154 -1.288 215 HB3 ARG 31 HB1 ARG 31 -0.297 3.119 -2.554 216 HG2 ARG 31 HG2 ARG 31 1.560 4.042 -4.073 217 HG3 ARG 31 HG1 ARG 31 2.647 3.531 -2.782 218 HD2 ARG 31 HD2 ARG 31 1.655 1.255 -2.920 219 HD3 ARG 31 HD1 ARG 31 0.737 1.790 -4.329 220 HE ARG 31 HE ARG 31 3.578 2.248 -4.543 221 HH11 ARG 31 HH11 ARG 31 1.067 -0.168 -4.958 222 HH12 ARG 31 HH12 ARG 31 1.897 -0.989 -6.242 223 HH21 ARG 31 HH21 ARG 31 4.662 1.184 -6.203 224 HH22 ARG 31 HH22 ARG 31 3.965 -0.231 -6.942 225 H CYS 32 HN CYS 32 -1.959 4.034 -2.263 226 HA CYS 32 HA CYS 32 -3.134 5.448 0.035 227 HB2 CYS 32 HB2 CYS 32 -4.508 4.230 -2.390 228 HB3 CYS 32 HB1 CYS 32 -5.306 5.125 -1.096 229 H LEU 33 HN LEU 33 -3.871 4.279 1.632 230 HA LEU 33 HA LEU 33 -2.791 1.741 1.964 231 HB2 LEU 33 HB2 LEU 33 -5.017 2.958 3.559 232 HB3 LEU 33 HB1 LEU 33 -3.927 1.711 4.100 233 HG LEU 33 HG LEU 33 -3.510 4.649 3.841 234 HD11 LEU 33 HD11 LEU 33 -2.498 4.384 6.011 235 HD12 LEU 33 HD12 LEU 33 -2.633 2.628 5.885 236 HD13 LEU 33 HD13 LEU 33 -4.090 3.623 5.984 237 HD21 LEU 33 HD21 LEU 33 -1.167 4.524 3.826 238 HD22 LEU 33 HD22 LEU 33 -1.722 3.538 2.469 239 HD23 LEU 33 HD23 LEU 33 -1.176 2.758 3.959 240 H LEU 34 HN LEU 34 -4.033 -0.187 2.650 241 HA LEU 34 HA LEU 34 -5.324 -1.129 0.403 242 HB2 LEU 34 HB2 LEU 34 -5.285 -2.323 3.163 243 HB3 LEU 34 HB1 LEU 34 -5.576 -3.179 1.658 244 HG LEU 34 HG LEU 34 -3.007 -1.803 2.433 245 HD11 LEU 34 HD11 LEU 34 -2.065 -4.028 2.498 246 HD12 LEU 34 HD12 LEU 34 -3.642 -4.729 2.128 247 HD13 LEU 34 HD13 LEU 34 -3.387 -3.877 3.657 248 HD21 LEU 34 HD21 LEU 34 -2.115 -2.726 0.374 249 HD22 LEU 34 HD22 LEU 34 -3.477 -1.649 0.050 250 HD23 LEU 34 HD23 LEU 34 -3.698 -3.398 -0.023 251 H GLY 35 HN GLY 35 -7.356 -1.335 -0.196 252 HA2 GLY 35 HA2 GLY 35 -9.682 -1.462 0.076 253 HA3 GLY 35 HA1 GLY 35 -9.507 -0.850 1.718 254 H TYR 36 HN TYR 36 -7.576 1.210 0.400 255 HA TYR 36 HA TYR 36 -9.722 3.164 0.200 256 HB2 TYR 36 HB2 TYR 36 -6.737 3.557 0.405 257 HB3 TYR 36 HB1 TYR 36 -7.951 4.830 0.464 258 HD1 TYR 36 HD1 TYR 36 -6.312 5.042 2.562 259 HD2 TYR 36 HD2 TYR 36 -9.405 2.172 2.161 260 HE1 TYR 36 HE1 TYR 36 -6.422 4.822 5.007 261 HE2 TYR 36 HE2 TYR 36 -9.522 1.933 4.603 262 HH TYR 36 HH TYR 36 -8.005 2.297 6.562 263 H LYS 37 HN LYS 37 -8.936 5.118 -1.278 264 HA LYS 37 HA LYS 37 -8.153 4.076 -3.893 265 HB2 LYS 37 HB2 LYS 37 -10.195 5.299 -4.802 266 HB3 LYS 37 HB1 LYS 37 -10.515 3.822 -3.916 267 HG2 LYS 37 HG2 LYS 37 -11.271 5.015 -2.052 268 HG3 LYS 37 HG1 LYS 37 -10.598 6.531 -2.658 269 HD2 LYS 37 HD2 LYS 37 -12.664 5.006 -4.164 270 HD3 LYS 37 HD1 LYS 37 -13.081 6.167 -2.925 271 HE2 LYS 37 HE2 LYS 37 -12.034 7.945 -4.097 272 HE3 LYS 37 HE1 LYS 37 -11.299 6.825 -5.240 273 HZ1 LYS 37 HZ1 LYS 37 -13.270 8.044 -6.103 274 HZ2 LYS 37 HZ2 LYS 37 -14.235 7.226 -4.968 275 HZ3 LYS 37 HZ3 LYS 37 -13.422 6.355 -6.184 276 H LYS 38 HN LYS 38 -7.953 5.885 -5.474 277 HA LYS 38 HA LYS 38 -6.689 8.184 -4.210 278 HB2 LYS 38 HB2 LYS 38 -5.702 6.843 -6.189 279 HB3 LYS 38 HB1 LYS 38 -6.885 7.688 -7.176 280 HG2 LYS 38 HG2 LYS 38 -4.852 8.886 -7.339 281 HG3 LYS 38 HG1 LYS 38 -5.935 9.837 -6.320 282 HD2 LYS 38 HD2 LYS 38 -4.046 9.937 -5.045 283 HD3 LYS 38 HD1 LYS 38 -4.757 8.443 -4.403 284 HE2 LYS 38 HE2 LYS 38 -2.848 8.397 -6.717 285 HE3 LYS 38 HE1 LYS 38 -2.256 8.455 -5.060 286 HZ1 LYS 38 HZ1 LYS 38 -3.519 6.417 -4.619 287 HZ2 LYS 38 HZ2 LYS 38 -2.353 6.194 -5.826 288 HZ3 LYS 38 HZ3 LYS 38 -3.987 6.346 -6.244 289 H GLY 39 HN GLY 39 -7.567 10.170 -4.144 290 HA2 GLY 39 HA2 GLY 39 -10.304 10.345 -5.205 291 HA3 GLY 39 HA1 GLY 39 -9.702 11.208 -3.801 292 H GLU 40 HN GLU 40 -9.245 13.236 -4.049 293 HA GLU 40 HA GLU 40 -9.517 14.516 -6.597 294 HB2 GLU 40 HB2 GLU 40 -9.159 16.594 -5.236 295 HB3 GLU 40 HB1 GLU 40 -10.476 15.577 -4.667 296 HG2 GLU 40 HG2 GLU 40 -8.937 14.625 -2.965 297 HG3 GLU 40 HG1 GLU 40 -7.710 15.777 -3.490 298 H GLY 41 HN GLY 41 -7.507 13.113 -7.261 299 HA2 GLY 41 HA2 GLY 41 -5.470 13.553 -8.336 300 HA3 GLY 41 HA1 GLY 41 -5.301 15.005 -7.359 301 H ASN 42 HN ASN 42 -3.687 14.939 -5.979 302 HA ASN 42 HA ASN 42 -2.434 12.436 -5.292 303 HB2 ASN 42 HB2 ASN 42 -0.818 13.894 -4.050 304 HB3 ASN 42 HB1 ASN 42 -0.985 14.299 -5.753 305 HD21 ASN 42 HD21 ASN 42 -1.431 15.358 -2.508 306 HD22 ASN 42 HD22 ASN 42 -1.894 16.980 -2.876 307 H THR 43 HN THR 43 -4.710 11.947 -4.308 308 HA THR 43 HA THR 43 -4.511 12.370 -1.427 309 HB THR 43 HB THR 43 -7.084 12.653 -1.484 310 HG1 THR 43 HG1 THR 43 -6.542 13.966 -3.908 311 HG21 THR 43 HG21 THR 43 -5.537 14.334 -0.639 312 HG22 THR 43 HG22 THR 43 -6.818 15.094 -1.586 313 HG23 THR 43 HG23 THR 43 -5.211 14.878 -2.284 314 H CYS 44 HN CYS 44 -5.264 10.739 -0.223 315 HA CYS 44 HA CYS 44 -6.486 8.477 -1.631 316 HB2 CYS 44 HB2 CYS 44 -4.755 8.434 0.849 317 HB3 CYS 44 HB1 CYS 44 -5.457 7.026 0.048 318 H VAL 45 HN VAL 45 -8.275 7.588 -0.771 319 HA VAL 45 HA VAL 45 -9.381 8.710 1.682 320 HB VAL 45 HB VAL 45 -11.599 9.012 0.557 321 HG11 VAL 45 HG11 VAL 45 -11.061 11.185 -0.434 322 HG12 VAL 45 HG12 VAL 45 -9.354 10.743 -0.477 323 HG13 VAL 45 HG13 VAL 45 -10.176 10.927 1.071 324 HG21 VAL 45 HG21 VAL 45 -11.196 7.654 -1.434 325 HG22 VAL 45 HG22 VAL 45 -9.955 8.791 -1.968 326 HG23 VAL 45 HG23 VAL 45 -11.642 9.303 -1.878 327 H GLU 46 HN GLU 46 -10.994 7.460 2.602 328 HA GLU 46 HA GLU 46 -10.593 4.703 2.337 329 HB2 GLU 46 HB2 GLU 46 -12.555 6.399 3.822 330 HB3 GLU 46 HB1 GLU 46 -12.757 4.653 3.786 331 HG2 GLU 46 HG2 GLU 46 -10.620 4.330 4.814 332 HG3 GLU 46 HG1 GLU 46 -10.279 6.062 4.747 333 H ASN 47 HN ASN 47 -11.368 3.353 0.947 334 HA ASN 47 HA ASN 47 -14.013 3.834 -0.228 335 HB2 ASN 47 HB2 ASN 47 -12.267 3.668 -1.908 336 HB3 ASN 47 HB1 ASN 47 -11.669 2.178 -1.194 337 HD21 ASN 47 HD21 ASN 47 -11.853 1.220 -3.187 338 HD22 ASN 47 HD22 ASN 47 -13.373 0.647 -3.783 339 H ASN 48 HN ASN 48 -15.558 2.675 0.715 340 HA ASN 48 HA ASN 48 -14.800 0.256 2.160 341 HB2 ASN 48 HB2 ASN 48 -16.904 2.249 2.455 342 HB3 ASN 48 HB1 ASN 48 -17.511 0.598 2.575 343 HD21 ASN 48 HD21 ASN 48 -15.082 2.810 3.837 344 HD22 ASN 48 HD22 ASN 48 -14.961 2.078 5.395 345 H ASN 49 HN ASN 49 -15.253 0.761 -0.840 346 HA ASN 49 HA ASN 49 -16.490 -1.873 -1.230 347 HB2 ASN 49 HB2 ASN 49 -18.044 -0.032 -1.888 348 HB3 ASN 49 HB1 ASN 49 -16.834 0.502 -3.050 349 HD21 ASN 49 HD21 ASN 49 -18.291 0.201 -4.750 350 HD22 ASN 49 HD22 ASN 49 -18.670 -1.374 -5.350 351 HA PRO 50 HA PRO 50 -12.279 -1.247 -3.458 352 HB2 PRO 50 HB2 PRO 50 -10.839 -2.951 -1.881 353 HB3 PRO 50 HB1 PRO 50 -10.795 -1.200 -1.729 354 HG2 PRO 50 HG2 PRO 50 -12.271 -3.211 -0.130 355 HG3 PRO 50 HG1 PRO 50 -11.529 -1.689 0.376 356 HD2 PRO 50 HD2 PRO 50 -14.186 -1.971 0.045 357 HD3 PRO 50 HD1 PRO 50 -13.344 -0.445 -0.230 358 H THR 51 HN THR 51 -11.906 -2.611 -5.037 359 HA THR 51 HA THR 51 -12.844 -5.383 -4.785 360 HB THR 51 HB THR 51 -14.288 -4.050 -6.302 361 HG1 THR 51 HG1 THR 51 -13.947 -5.529 -8.164 362 HG21 THR 51 HG21 THR 51 -11.782 -3.788 -7.975 363 HG22 THR 51 HG22 THR 51 -12.623 -2.472 -7.152 364 HG23 THR 51 HG23 THR 51 -13.409 -3.327 -8.480 365 H CYS 52 HN CYS 52 -11.534 -6.976 -5.855 366 HA CYS 52 HA CYS 52 -8.776 -6.127 -6.213 367 HB2 CYS 52 HB2 CYS 52 -9.554 -8.350 -5.125 368 HB3 CYS 52 HB1 CYS 52 -9.890 -8.877 -6.767 369 H ASP 53 HN ASP 53 -7.846 -5.858 -8.149 370 HA ASP 53 HA ASP 53 -8.227 -6.247 -10.696 371 HB2 ASP 53 HB2 ASP 53 -10.757 -6.098 -10.331 372 HB3 ASP 53 HB1 ASP 53 -10.523 -4.393 -9.990 373 H ILE 54 HN ILE 54 -8.940 -3.609 -8.460 374 HA ILE 54 HA ILE 54 -7.561 -1.643 -10.058 375 HB ILE 54 HB ILE 54 -8.659 -1.405 -7.255 376 HG12 ILE 54 HG12 ILE 54 -9.944 -0.609 -9.875 377 HG13 ILE 54 HG11 ILE 54 -10.381 -2.029 -8.929 378 HG21 ILE 54 HG21 ILE 54 -8.545 0.987 -7.605 379 HG22 ILE 54 HG22 ILE 54 -7.949 0.745 -9.247 380 HG23 ILE 54 HG23 ILE 54 -6.949 0.268 -7.869 381 HD11 ILE 54 HD11 ILE 54 -10.622 0.832 -8.014 382 HD12 ILE 54 HD12 ILE 54 -11.090 -0.599 -7.093 383 HD13 ILE 54 HD13 ILE 54 -11.942 -0.191 -8.584 384 H ASN 55 HN ASN 55 -5.412 -2.226 -10.116 385 HA ASN 55 HA ASN 55 -3.256 -2.466 -9.381 386 HB2 ASN 55 HB2 ASN 55 -3.998 -0.161 -8.465 387 HB3 ASN 55 HB1 ASN 55 -4.075 -0.946 -6.915 388 HD21 ASN 55 HD21 ASN 55 -2.257 -1.334 -5.844 389 HD22 ASN 55 HD22 ASN 55 -0.677 -0.899 -6.383 390 H ASN 56 HN ASN 56 -4.902 -4.595 -8.860 391 HA ASN 56 HA ASN 56 -5.042 -6.537 -7.680 392 HB2 ASN 56 HB2 ASN 56 -2.842 -5.853 -5.792 393 HB3 ASN 56 HB1 ASN 56 -3.134 -7.349 -6.660 394 HD21 ASN 56 HD21 ASN 56 -0.990 -5.145 -6.237 395 HD22 ASN 56 HD22 ASN 56 -0.271 -5.068 -7.788 396 H GLY 57 HN GLY 57 -6.484 -4.175 -6.824 397 HA2 GLY 57 HA2 GLY 57 -8.101 -3.954 -5.161 398 HA3 GLY 57 HA1 GLY 57 -7.234 -5.142 -4.200 399 H GLY 58 HN GLY 58 -4.993 -2.968 -5.256 400 HA2 GLY 58 HA2 GLY 58 -4.467 -0.808 -4.248 401 HA3 GLY 58 HA1 GLY 58 -5.267 -1.373 -2.787 402 H CYS 59 HN CYS 59 -3.520 -3.755 -4.317 403 HA CYS 59 HA CYS 59 -1.412 -3.722 -2.287 404 HB2 CYS 59 HB2 CYS 59 -2.087 -5.968 -4.180 405 HB3 CYS 59 HB1 CYS 59 -1.236 -6.063 -2.637 406 H ASP 60 HN ASP 60 0.509 -5.040 -3.195 407 HA ASP 60 HA ASP 60 1.457 -3.723 -5.644 408 HB2 ASP 60 HB2 ASP 60 2.758 -3.777 -3.443 409 HB3 ASP 60 HB1 ASP 60 2.930 -5.504 -3.690 410 HA PRO 61 HA PRO 61 0.610 -7.346 -7.963 411 HB2 PRO 61 HB2 PRO 61 3.264 -7.043 -9.248 412 HB3 PRO 61 HB1 PRO 61 1.659 -7.062 -9.975 413 HG2 PRO 61 HG2 PRO 61 3.113 -4.812 -9.727 414 HG3 PRO 61 HG1 PRO 61 1.343 -4.823 -9.661 415 HD2 PRO 61 HD2 PRO 61 3.312 -4.497 -7.464 416 HD3 PRO 61 HD1 PRO 61 1.668 -3.867 -7.627 417 H THR 62 HN THR 62 3.419 -7.027 -6.035 418 HA THR 62 HA THR 62 3.997 -9.895 -6.139 419 HB THR 62 HB THR 62 6.030 -9.375 -4.947 420 HG1 THR 62 HG1 THR 62 5.231 -6.639 -4.822 421 HG21 THR 62 HG21 THR 62 7.041 -7.702 -6.471 422 HG22 THR 62 HG22 THR 62 5.419 -7.282 -7.039 423 HG23 THR 62 HG23 THR 62 6.070 -8.900 -7.329 424 H ALA 63 HN ALA 63 2.077 -7.745 -4.528 425 HA ALA 63 HA ALA 63 1.834 -9.446 -2.156 426 HB1 ALA 63 HB1 ALA 63 0.255 -7.709 -1.371 427 HB2 ALA 63 HB2 ALA 63 0.518 -6.811 -2.875 428 HB3 ALA 63 HB3 ALA 63 1.851 -7.052 -1.735 429 H SER 64 HN SER 64 0.629 -11.208 -2.552 430 HA SER 64 HA SER 64 -1.213 -11.560 -4.619 431 HB2 SER 64 HB2 SER 64 -0.188 -13.407 -3.301 432 HB3 SER 64 HB1 SER 64 -1.181 -12.947 -1.920 433 HG SER 64 HG SER 64 -2.993 -13.601 -2.982 434 H CYS 65 HN CYS 65 -3.228 -10.848 -4.916 435 HA CYS 65 HA CYS 65 -4.460 -9.377 -2.711 436 HB2 CYS 65 HB2 CYS 65 -4.341 -8.008 -4.620 437 HB3 CYS 65 HB1 CYS 65 -4.876 -9.307 -5.676 438 H GLN 66 HN GLN 66 -6.206 -9.917 -1.796 439 HA GLN 66 HA GLN 66 -8.019 -11.889 -3.004 440 HB2 GLN 66 HB2 GLN 66 -7.911 -11.788 -0.051 441 HB3 GLN 66 HB1 GLN 66 -8.100 -13.172 -1.114 442 HG2 GLN 66 HG2 GLN 66 -5.486 -11.810 -1.036 443 HG3 GLN 66 HG1 GLN 66 -5.934 -12.809 0.336 444 HE21 GLN 66 HE21 GLN 66 -7.503 -14.622 -1.306 445 HE22 GLN 66 HE22 GLN 66 -6.373 -15.590 -2.174 446 H ASN 67 HN ASN 67 -10.164 -11.143 -2.981 447 HA ASN 67 HA ASN 67 -10.513 -8.640 -1.512 448 HB2 ASN 67 HB2 ASN 67 -12.545 -8.247 -2.837 449 HB3 ASN 67 HB1 ASN 67 -11.097 -8.354 -3.804 450 HD21 ASN 67 HD21 ASN 67 -13.823 -8.645 -4.588 451 HD22 ASN 67 HD22 ASN 67 -13.979 -10.220 -5.272 452 H ALA 68 HN ALA 68 -12.075 -8.273 -0.161 453 HA ALA 68 HA ALA 68 -13.787 -10.453 0.745 454 HB1 ALA 68 HB1 ALA 68 -12.091 -10.958 2.215 455 HB2 ALA 68 HB2 ALA 68 -12.979 -9.741 3.148 456 HB3 ALA 68 HB3 ALA 68 -11.502 -9.296 2.268 457 H GLU 69 HN GLU 69 -15.458 -9.700 2.168 458 HA GLU 69 HA GLU 69 -15.704 -6.803 2.261 459 HB2 GLU 69 HB2 GLU 69 -18.134 -7.290 2.742 460 HB3 GLU 69 HB1 GLU 69 -17.542 -7.535 1.105 461 HG2 GLU 69 HG2 GLU 69 -17.554 -9.832 1.299 462 HG3 GLU 69 HG1 GLU 69 -17.578 -9.754 3.056 463 H SER 70 HN SER 70 -14.369 -6.695 3.958 464 HA SER 70 HA SER 70 -15.180 -7.912 6.466 465 HB2 SER 70 HB2 SER 70 -12.720 -7.714 5.577 466 HB3 SER 70 HB1 SER 70 -12.816 -6.070 6.192 467 HG SER 70 HG SER 70 -12.821 -6.788 8.204 468 H THR 71 HN THR 71 -15.310 -6.436 8.424 469 HA THR 71 HA THR 71 -16.956 -4.198 7.977 470 HB THR 71 HB THR 71 -15.284 -4.911 10.400 471 HG1 THR 71 HG1 THR 71 -18.058 -5.166 10.412 472 HG21 THR 71 HG21 THR 71 -16.765 -3.421 11.655 473 HG22 THR 71 HG22 THR 71 -17.574 -2.956 10.159 474 HG23 THR 71 HG23 THR 71 -15.879 -2.536 10.412 475 H GLU 72 HN GLU 72 -13.507 -4.595 8.311 476 HA GLU 72 HA GLU 72 -12.998 -1.728 8.229 477 HB2 GLU 72 HB2 GLU 72 -10.867 -3.808 8.019 478 HB3 GLU 72 HB1 GLU 72 -10.799 -2.231 8.777 479 HG2 GLU 72 HG2 GLU 72 -10.752 -3.593 10.599 480 HG3 GLU 72 HG1 GLU 72 -12.485 -3.291 10.467 481 H ASN 73 HN ASN 73 -12.618 -0.654 6.379 482 HA ASN 73 HA ASN 73 -12.687 -1.812 3.823 483 HB2 ASN 73 HB2 ASN 73 -11.400 0.386 3.181 484 HB3 ASN 73 HB1 ASN 73 -13.081 0.452 3.671 485 HD21 ASN 73 HD21 ASN 73 -13.013 2.509 4.417 486 HD22 ASN 73 HD22 ASN 73 -12.131 3.004 5.821 487 H SER 74 HN SER 74 -9.998 -1.110 5.957 488 HA SER 74 HA SER 74 -8.032 -1.678 3.977 489 HB2 SER 74 HB2 SER 74 -7.758 -1.470 6.983 490 HB3 SER 74 HB1 SER 74 -6.431 -1.452 5.820 491 HG SER 74 HG SER 74 -7.629 0.402 4.869 492 H LYS 75 HN LYS 75 -9.942 -3.569 6.052 493 HA LYS 75 HA LYS 75 -8.162 -5.868 5.803 494 HB2 LYS 75 HB2 LYS 75 -10.619 -5.376 7.447 495 HB3 LYS 75 HB1 LYS 75 -9.840 -6.952 7.322 496 HG2 LYS 75 HG2 LYS 75 -8.152 -4.631 8.020 497 HG3 LYS 75 HG1 LYS 75 -9.255 -5.265 9.230 498 HD2 LYS 75 HD2 LYS 75 -7.274 -6.942 7.718 499 HD3 LYS 75 HD1 LYS 75 -6.979 -6.259 9.314 500 HE2 LYS 75 HE2 LYS 75 -8.871 -7.483 10.219 501 HE3 LYS 75 HE1 LYS 75 -9.232 -8.134 8.620 502 HZ1 LYS 75 HZ1 LYS 75 -7.085 -9.260 8.633 503 HZ2 LYS 75 HZ2 LYS 75 -8.020 -9.739 9.963 504 HZ3 LYS 75 HZ3 LYS 75 -6.746 -8.643 10.175 505 H LYS 76 HN LYS 76 -10.374 -4.432 3.939 506 HA LYS 76 HA LYS 76 -11.965 -6.682 3.157 507 HB2 LYS 76 HB2 LYS 76 -11.490 -4.057 1.789 508 HB3 LYS 76 HB1 LYS 76 -12.617 -5.287 1.240 509 HG2 LYS 76 HG2 LYS 76 -13.832 -5.054 3.386 510 HG3 LYS 76 HG1 LYS 76 -12.748 -3.724 3.804 511 HD2 LYS 76 HD2 LYS 76 -13.456 -2.752 1.519 512 HD3 LYS 76 HD1 LYS 76 -14.788 -3.894 1.631 513 HE2 LYS 76 HE2 LYS 76 -14.143 -1.796 3.692 514 HE3 LYS 76 HE1 LYS 76 -15.350 -1.617 2.425 515 HZ1 LYS 76 HZ1 LYS 76 -16.500 -3.568 3.342 516 HZ2 LYS 76 HZ2 LYS 76 -16.427 -2.279 4.434 517 HZ3 LYS 76 HZ3 LYS 76 -15.397 -3.610 4.627 518 H ILE 77 HN ILE 77 -9.293 -4.871 1.698 519 HA ILE 77 HA ILE 77 -8.904 -7.056 -0.190 520 HB ILE 77 HB ILE 77 -7.518 -4.382 -0.027 521 HG12 ILE 77 HG12 ILE 77 -9.861 -4.190 -0.700 522 HG13 ILE 77 HG11 ILE 77 -8.798 -3.859 -2.067 523 HG21 ILE 77 HG21 ILE 77 -6.047 -6.043 -0.988 524 HG22 ILE 77 HG22 ILE 77 -6.609 -4.934 -2.241 525 HG23 ILE 77 HG23 ILE 77 -7.315 -6.545 -2.107 526 HD11 ILE 77 HD11 ILE 77 -10.208 -6.464 -1.548 527 HD12 ILE 77 HD12 ILE 77 -9.197 -6.080 -2.943 528 HD13 ILE 77 HD13 ILE 77 -10.723 -5.224 -2.695 529 H ILE 78 HN ILE 78 -7.671 -8.613 0.339 530 HA ILE 78 HA ILE 78 -5.663 -8.320 2.427 531 HB ILE 78 HB ILE 78 -6.519 -10.796 0.914 532 HG12 ILE 78 HG12 ILE 78 -7.502 -11.342 3.246 533 HG13 ILE 78 HG11 ILE 78 -7.398 -9.612 3.536 534 HG21 ILE 78 HG21 ILE 78 -4.252 -10.955 1.771 535 HG22 ILE 78 HG22 ILE 78 -5.340 -12.027 2.656 536 HG23 ILE 78 HG23 ILE 78 -4.820 -10.504 3.381 537 HD11 ILE 78 HD11 ILE 78 -8.890 -9.156 1.722 538 HD12 ILE 78 HD12 ILE 78 -9.631 -10.369 2.772 539 HD13 ILE 78 HD13 ILE 78 -8.891 -10.853 1.241 540 H CYS 79 HN CYS 79 -3.661 -7.858 1.946 541 HA CYS 79 HA CYS 79 -2.596 -8.604 -0.689 542 HB2 CYS 79 HB2 CYS 79 -1.588 -6.369 1.080 543 HB3 CYS 79 HB1 CYS 79 -1.197 -6.663 -0.605 544 H THR 80 HN THR 80 -1.054 -10.096 -0.663 545 HA THR 80 HA THR 80 0.507 -10.470 1.809 546 HB THR 80 HB THR 80 -0.684 -12.605 0.037 547 HG1 THR 80 HG1 THR 80 -1.537 -11.357 2.238 548 HG21 THR 80 HG21 THR 80 1.184 -12.889 2.392 549 HG22 THR 80 HG22 THR 80 1.558 -13.270 0.708 550 HG23 THR 80 HG23 THR 80 0.352 -14.218 1.583 551 H CYS 81 HN CYS 81 2.576 -10.022 1.409 552 HA CYS 81 HA CYS 81 3.589 -10.102 -1.301 553 HB2 CYS 81 HB2 CYS 81 5.227 -9.517 1.165 554 HB3 CYS 81 HB1 CYS 81 5.450 -8.908 -0.470 555 H LYS 82 HN LYS 82 5.208 -11.491 -2.061 556 HA LYS 82 HA LYS 82 4.980 -14.135 -0.967 557 HB2 LYS 82 HB2 LYS 82 6.218 -13.019 -3.457 558 HB3 LYS 82 HB1 LYS 82 6.478 -14.694 -2.992 559 HG2 LYS 82 HG2 LYS 82 4.683 -14.715 -4.504 560 HG3 LYS 82 HG1 LYS 82 3.965 -14.926 -2.908 561 HD2 LYS 82 HD2 LYS 82 3.462 -12.506 -2.865 562 HD3 LYS 82 HD1 LYS 82 4.082 -12.375 -4.509 563 HE2 LYS 82 HE2 LYS 82 1.742 -14.054 -3.616 564 HE3 LYS 82 HE1 LYS 82 1.657 -12.515 -4.479 565 HZ1 LYS 82 HZ1 LYS 82 1.402 -14.570 -5.872 566 HZ2 LYS 82 HZ2 LYS 82 3.047 -14.890 -5.592 567 HZ3 LYS 82 HZ3 LYS 82 2.583 -13.470 -6.397 568 H GLU 83 HN GLU 83 7.168 -15.470 -1.527 569 HA GLU 83 HA GLU 83 8.580 -15.443 0.783 570 HB2 GLU 83 HB2 GLU 83 9.553 -16.415 -1.887 571 HB3 GLU 83 HB1 GLU 83 10.135 -16.945 -0.310 572 HG2 GLU 83 HG2 GLU 83 7.304 -17.218 -1.269 573 HG3 GLU 83 HG1 GLU 83 8.512 -18.483 -1.339 574 HA PRO 84 HA PRO 84 12.325 -13.106 -0.871 575 HB2 PRO 84 HB2 PRO 84 12.297 -11.797 -3.230 576 HB3 PRO 84 HB1 PRO 84 12.729 -13.502 -3.090 577 HG2 PRO 84 HG2 PRO 84 10.276 -12.270 -4.151 578 HG3 PRO 84 HG1 PRO 84 10.988 -13.851 -4.505 579 HD2 PRO 84 HD2 PRO 84 8.809 -13.281 -2.788 580 HD3 PRO 84 HD1 PRO 84 9.616 -14.837 -3.015 581 H THR 85 HN THR 85 9.352 -12.076 -0.518 582 HA THR 85 HA THR 85 10.144 -9.303 -0.012 583 HB THR 85 HB THR 85 8.070 -8.459 -0.856 584 HG1 THR 85 HG1 THR 85 7.106 -10.809 -0.267 585 HG21 THR 85 HG21 THR 85 8.033 -9.245 -3.223 586 HG22 THR 85 HG22 THR 85 9.147 -10.542 -2.770 587 HG23 THR 85 HG23 THR 85 9.650 -8.854 -2.637 588 HA PRO 86 HA PRO 86 8.563 -11.850 3.588 589 HB2 PRO 86 HB2 PRO 86 10.641 -10.339 5.025 590 HB3 PRO 86 HB1 PRO 86 10.387 -12.084 4.949 591 HG2 PRO 86 HG2 PRO 86 12.441 -10.887 3.723 592 HG3 PRO 86 HG1 PRO 86 11.615 -12.284 2.999 593 HD2 PRO 86 HD2 PRO 86 11.346 -9.371 2.367 594 HD3 PRO 86 HD1 PRO 86 11.408 -10.764 1.272 595 H ASN 87 HN ASN 87 8.991 -8.561 2.958 596 HA ASN 87 HA ASN 87 7.352 -7.763 5.253 597 HB2 ASN 87 HB2 ASN 87 9.537 -6.149 3.948 598 HB3 ASN 87 HB1 ASN 87 8.643 -5.739 5.396 599 HD21 ASN 87 HD21 ASN 87 11.200 -7.513 4.042 600 HD22 ASN 87 HD22 ASN 87 11.863 -8.160 5.505 601 H ALA 88 HN ALA 88 6.698 -5.296 4.689 602 HA ALA 88 HA ALA 88 5.919 -5.128 1.884 603 HB1 ALA 88 HB1 ALA 88 3.590 -4.644 2.492 604 HB2 ALA 88 HB2 ALA 88 3.961 -5.012 4.176 605 HB3 ALA 88 HB3 ALA 88 4.069 -6.276 2.949 606 H TYR 89 HN TYR 89 5.598 -3.056 1.161 607 HA TYR 89 HA TYR 89 6.501 -0.860 2.785 608 HB2 TYR 89 HB2 TYR 89 4.981 -0.705 0.171 609 HB3 TYR 89 HB1 TYR 89 6.018 0.524 0.841 610 HD1 TYR 89 HD1 TYR 89 8.196 -1.909 1.434 611 HD2 TYR 89 HD2 TYR 89 6.128 -0.309 -1.911 612 HE1 TYR 89 HE1 TYR 89 10.021 -2.617 -0.048 613 HE2 TYR 89 HE2 TYR 89 7.925 -1.017 -3.396 614 HH TYR 89 HH TYR 89 10.648 -2.901 -2.271 615 H TYR 90 HN TYR 90 5.212 -0.341 4.445 616 HA TYR 90 HA TYR 90 3.430 0.074 5.757 617 HB2 TYR 90 HB2 TYR 90 2.744 1.371 3.428 618 HB3 TYR 90 HB1 TYR 90 1.349 0.338 3.711 619 HD1 TYR 90 HD1 TYR 90 2.739 3.453 4.446 620 HD2 TYR 90 HD2 TYR 90 0.521 0.314 6.243 621 HE1 TYR 90 HE1 TYR 90 1.946 5.009 6.161 622 HE2 TYR 90 HE2 TYR 90 -0.295 1.863 7.963 623 HH TYR 90 HH TYR 90 0.068 5.233 7.725 624 H GLU 91 HN GLU 91 0.701 -0.842 4.188 625 HA GLU 91 HA GLU 91 0.592 -3.164 5.921 626 HB2 GLU 91 HB2 GLU 91 -1.705 -2.400 4.181 627 HB3 GLU 91 HB1 GLU 91 -1.702 -3.001 5.832 628 HG2 GLU 91 HG2 GLU 91 -0.697 -0.739 6.464 629 HG3 GLU 91 HG1 GLU 91 -1.186 -0.225 4.848 630 H GLY 92 HN GLY 92 1.729 -2.887 2.897 631 HA2 GLY 92 HA2 GLY 92 2.103 -4.936 1.593 632 HA3 GLY 92 HA1 GLY 92 0.443 -5.390 1.973 633 H VAL 93 HN VAL 93 0.542 -2.156 1.557 634 HA VAL 93 HA VAL 93 -0.891 -1.997 -0.809 635 HB VAL 93 HB VAL 93 0.939 0.148 0.317 636 HG11 VAL 93 HG11 VAL 93 0.045 0.691 -1.837 637 HG12 VAL 93 HG12 VAL 93 -0.729 1.683 -0.602 638 HG13 VAL 93 HG13 VAL 93 -1.588 0.306 -1.293 639 HG21 VAL 93 HG21 VAL 93 -1.825 -0.660 1.209 640 HG22 VAL 93 HG22 VAL 93 -1.093 0.897 1.599 641 HG23 VAL 93 HG23 VAL 93 -0.348 -0.596 2.173 642 H PHE 94 HN PHE 94 2.504 -2.007 -0.126 643 HA PHE 94 HA PHE 94 3.072 -2.782 -2.829 644 HB2 PHE 94 HB2 PHE 94 5.222 -1.123 -2.437 645 HB3 PHE 94 HB1 PHE 94 3.872 -0.790 -3.500 646 HD1 PHE 94 HD1 PHE 94 2.456 -0.263 -0.354 647 HD2 PHE 94 HD2 PHE 94 5.408 1.376 -2.938 648 HE1 PHE 94 HE1 PHE 94 2.208 1.910 0.747 649 HE2 PHE 94 HE2 PHE 94 5.162 3.553 -1.836 650 HZ PHE 94 HZ PHE 94 3.552 3.830 0.010 651 H CYS 95 HN CYS 95 5.259 -3.855 -2.956 652 HA CYS 95 HA CYS 95 6.431 -4.483 -0.336 653 HB2 CYS 95 HB2 CYS 95 5.904 -6.778 -2.211 654 HB3 CYS 95 HB1 CYS 95 6.252 -6.808 -0.481 655 H SER 96 HN SER 96 8.541 -5.770 -0.606 656 HA SER 96 HA SER 96 9.936 -4.811 -3.036 657 HB2 SER 96 HB2 SER 96 10.485 -3.773 -0.658 658 HB3 SER 96 HB1 SER 96 11.427 -5.254 -0.486 659 HG SER 96 HG SER 96 12.635 -4.687 -2.260 660 H SER 97 HN SER 97 11.004 -6.283 -4.161 661 HA SER 97 HA SER 97 11.346 -8.944 -3.047 662 HB2 SER 97 HB2 SER 97 12.216 -9.342 -5.468 663 HB3 SER 97 HB1 SER 97 10.493 -9.047 -5.231 664 HG SER 97 HG SER 97 11.374 -7.770 -6.933 665 H SER 98 HN SER 98 13.441 -10.042 -3.536 666 HA SER 98 HA SER 98 15.704 -10.251 -3.575 667 HB2 SER 98 HB2 SER 98 15.618 -8.414 -5.319 668 HB3 SER 98 HB1 SER 98 15.912 -7.263 -4.018 669 HG SER 98 HG SER 98 17.763 -9.030 -3.684 670 H SER 99 HN SER 99 14.699 -10.427 -1.238 671 HA SER 99 HA SER 99 16.209 -8.653 0.543 672 HB2 SER 99 HB2 SER 99 14.744 -9.643 2.327 673 HB3 SER 99 HB1 SER 99 13.855 -8.759 1.079 674 HG SER 99 HG SER 99 14.278 -11.567 1.036 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 16.851 -4.754 -5.862 2 H2 GLY 1 HT2 GLY 1 16.787 -3.217 -5.147 3 H3 GLY 1 HT3 GLY 1 15.659 -3.649 -6.326 4 HA2 GLY 1 HA2 GLY 1 14.689 -5.301 -4.905 5 HA3 GLY 1 HA1 GLY 1 14.681 -3.728 -4.117 6 H VAL 2 HN VAL 2 14.398 -5.189 -2.220 7 HA VAL 2 HA VAL 2 16.373 -6.881 -1.200 8 HB VAL 2 HB VAL 2 17.650 -4.626 -1.260 9 HG11 VAL 2 HG11 VAL 2 17.265 -3.196 0.734 10 HG12 VAL 2 HG12 VAL 2 15.782 -4.110 1.049 11 HG13 VAL 2 HG13 VAL 2 15.945 -3.170 -0.436 12 HG21 VAL 2 HG21 VAL 2 18.098 -6.773 0.172 13 HG22 VAL 2 HG22 VAL 2 17.624 -5.724 1.517 14 HG23 VAL 2 HG23 VAL 2 18.984 -5.281 0.486 15 H ASP 3 HN ASP 3 16.077 -6.642 1.459 16 HA ASP 3 HA ASP 3 13.530 -7.206 2.195 17 HB2 ASP 3 HB2 ASP 3 14.231 -6.288 4.473 18 HB3 ASP 3 HB1 ASP 3 15.182 -7.593 3.800 19 HA PRO 4 HA PRO 4 11.283 -3.523 1.050 20 HB2 PRO 4 HB2 PRO 4 9.086 -4.481 2.552 21 HB3 PRO 4 HB1 PRO 4 9.324 -4.555 0.811 22 HG2 PRO 4 HG2 PRO 4 9.761 -6.602 2.878 23 HG3 PRO 4 HG1 PRO 4 9.408 -6.812 1.158 24 HD2 PRO 4 HD2 PRO 4 11.818 -7.313 2.236 25 HD3 PRO 4 HD1 PRO 4 11.626 -6.700 0.588 26 H LYS 5 HN LYS 5 12.369 -4.226 4.183 27 HA LYS 5 HA LYS 5 10.622 -2.482 5.621 28 HB2 LYS 5 HB2 LYS 5 12.379 -2.773 7.473 29 HB3 LYS 5 HB1 LYS 5 11.494 -4.196 6.941 30 HG2 LYS 5 HG2 LYS 5 13.670 -4.949 7.106 31 HG3 LYS 5 HG1 LYS 5 13.498 -4.603 5.386 32 HD2 LYS 5 HD2 LYS 5 15.569 -3.689 5.940 33 HD3 LYS 5 HD1 LYS 5 14.480 -2.301 5.957 34 HE2 LYS 5 HE2 LYS 5 14.374 -2.317 8.338 35 HE3 LYS 5 HE1 LYS 5 15.205 -3.870 8.422 36 HZ1 LYS 5 HZ1 LYS 5 17.143 -2.714 7.354 37 HZ2 LYS 5 HZ2 LYS 5 16.791 -2.234 8.942 38 HZ3 LYS 5 HZ3 LYS 5 16.340 -1.246 7.641 39 H HIS 6 HN HIS 6 12.352 -1.464 3.354 40 HA HIS 6 HA HIS 6 14.279 0.345 4.068 41 HB2 HIS 6 HB2 HIS 6 12.132 1.118 2.113 42 HB3 HIS 6 HB1 HIS 6 13.841 1.516 2.074 43 HD1 HIS 6 HD1 HIS 6 11.443 -1.262 1.315 44 HD2 HIS 6 HD2 HIS 6 15.403 -0.247 0.711 45 HE1 HIS 6 HE1 HIS 6 12.321 -2.958 -0.315 46 HE2 HIS 6 HE2 HIS 6 14.780 -2.452 -0.484 47 H VAL 7 HN VAL 7 10.889 0.521 4.757 48 HA VAL 7 HA VAL 7 9.395 2.131 5.223 49 HB VAL 7 HB VAL 7 9.810 3.550 7.076 50 HG11 VAL 7 HG11 VAL 7 9.586 1.243 7.628 51 HG12 VAL 7 HG12 VAL 7 10.787 1.959 8.702 52 HG13 VAL 7 HG13 VAL 7 11.301 0.955 7.346 53 HG21 VAL 7 HG21 VAL 7 11.901 4.602 6.455 54 HG22 VAL 7 HG22 VAL 7 12.768 3.087 6.708 55 HG23 VAL 7 HG23 VAL 7 12.023 3.918 8.076 56 H CYS 8 HN CYS 8 9.842 4.973 5.721 57 HA CYS 8 HA CYS 8 10.999 5.933 3.255 58 HB2 CYS 8 HB2 CYS 8 9.044 5.235 2.301 59 HB3 CYS 8 HB1 CYS 8 8.065 5.621 3.678 60 H VAL 9 HN VAL 9 11.139 8.082 3.061 61 HA VAL 9 HA VAL 9 9.636 9.849 4.823 62 HB VAL 9 HB VAL 9 11.808 11.309 4.770 63 HG11 VAL 9 HG11 VAL 9 12.634 10.281 6.843 64 HG12 VAL 9 HG12 VAL 9 11.687 8.834 6.501 65 HG13 VAL 9 HG13 VAL 9 10.873 10.364 6.836 66 HG21 VAL 9 HG21 VAL 9 13.869 9.903 4.750 67 HG22 VAL 9 HG22 VAL 9 13.022 9.940 3.197 68 HG23 VAL 9 HG23 VAL 9 12.862 8.533 4.253 69 H ASP 10 HN ASP 10 8.356 10.475 3.158 70 HA ASP 10 HA ASP 10 9.668 11.596 0.799 71 HB2 ASP 10 HB2 ASP 10 8.828 9.519 0.061 72 HB3 ASP 10 HB1 ASP 10 7.330 9.719 0.940 73 H THR 11 HN THR 11 8.444 13.242 -0.274 74 HA THR 11 HA THR 11 6.997 14.944 -0.543 75 HB THR 11 HB THR 11 5.547 12.697 0.726 76 HG1 THR 11 HG1 THR 11 5.666 12.217 -1.307 77 HG21 THR 11 HG21 THR 11 3.375 13.761 0.186 78 HG22 THR 11 HG22 THR 11 4.232 15.290 -0.030 79 HG23 THR 11 HG23 THR 11 4.219 14.497 1.550 80 H ARG 12 HN ARG 12 5.612 16.627 0.609 81 HA ARG 12 HA ARG 12 6.840 17.288 3.142 82 HB2 ARG 12 HB2 ARG 12 4.636 18.831 1.861 83 HB3 ARG 12 HB1 ARG 12 5.906 19.403 2.913 84 HG2 ARG 12 HG2 ARG 12 6.137 18.608 0.041 85 HG3 ARG 12 HG1 ARG 12 6.382 20.194 0.757 86 HD2 ARG 12 HD2 ARG 12 8.093 17.750 1.054 87 HD3 ARG 12 HD1 ARG 12 8.533 19.279 0.303 88 HE ARG 12 HE ARG 12 8.037 20.049 2.816 89 HH11 ARG 12 HH11 ARG 12 9.853 17.315 1.577 90 HH12 ARG 12 HH12 ARG 12 10.967 17.282 2.915 91 HH21 ARG 12 HH21 ARG 12 9.495 20.011 4.570 92 HH22 ARG 12 HH22 ARG 12 10.783 18.839 4.610 93 H ASP 13 HN ASP 13 3.713 16.372 1.880 94 HA ASP 13 HA ASP 13 2.946 15.388 4.504 95 HB2 ASP 13 HB2 ASP 13 2.156 17.728 4.494 96 HB3 ASP 13 HB1 ASP 13 1.235 17.400 3.031 97 H ILE 14 HN ILE 14 2.910 13.316 3.660 98 HA ILE 14 HA ILE 14 1.564 12.554 1.285 99 HB ILE 14 HB ILE 14 2.317 10.927 3.730 100 HG12 ILE 14 HG12 ILE 14 3.742 10.153 1.434 101 HG13 ILE 14 HG11 ILE 14 3.735 11.913 1.429 102 HG21 ILE 14 HG21 ILE 14 2.021 8.934 2.298 103 HG22 ILE 14 HG22 ILE 14 1.249 9.965 1.089 104 HG23 ILE 14 HG23 ILE 14 0.508 9.764 2.676 105 HD11 ILE 14 HD11 ILE 14 5.684 10.991 2.555 106 HD12 ILE 14 HD12 ILE 14 4.628 10.174 3.709 107 HD13 ILE 14 HD13 ILE 14 4.680 11.943 3.652 108 HA PRO 15 HA PRO 15 -2.626 13.147 2.146 109 HB2 PRO 15 HB2 PRO 15 -2.991 10.431 0.972 110 HB3 PRO 15 HB1 PRO 15 -3.799 11.943 0.573 111 HG2 PRO 15 HG2 PRO 15 -1.948 11.049 -1.029 112 HG3 PRO 15 HG1 PRO 15 -1.946 12.765 -0.590 113 HD2 PRO 15 HD2 PRO 15 -0.273 10.537 0.492 114 HD3 PRO 15 HD1 PRO 15 0.227 12.160 0.020 115 H LYS 16 HN LYS 16 -4.202 12.647 3.623 116 HA LYS 16 HA LYS 16 -3.819 10.751 5.658 117 HB2 LYS 16 HB2 LYS 16 -5.331 12.751 5.747 118 HB3 LYS 16 HB1 LYS 16 -6.419 11.921 4.646 119 HG2 LYS 16 HG2 LYS 16 -7.248 11.716 6.868 120 HG3 LYS 16 HG1 LYS 16 -6.676 10.139 6.326 121 HD2 LYS 16 HD2 LYS 16 -4.621 10.426 7.576 122 HD3 LYS 16 HD1 LYS 16 -5.118 12.047 8.063 123 HE2 LYS 16 HE2 LYS 16 -7.037 11.082 9.259 124 HE3 LYS 16 HE1 LYS 16 -6.511 9.468 8.783 125 HZ1 LYS 16 HZ1 LYS 16 -5.807 9.984 11.029 126 HZ2 LYS 16 HZ2 LYS 16 -4.982 11.365 10.485 127 HZ3 LYS 16 HZ3 LYS 16 -4.453 9.822 10.016 128 H ASN 17 HN ASN 17 -4.860 8.697 5.908 129 HA ASN 17 HA ASN 17 -5.521 6.622 5.231 130 HB2 ASN 17 HB2 ASN 17 -6.704 7.899 2.759 131 HB3 ASN 17 HB1 ASN 17 -7.163 6.373 3.498 132 HD21 ASN 17 HD21 ASN 17 -7.251 9.801 3.749 133 HD22 ASN 17 HD22 ASN 17 -8.589 9.905 4.865 134 H ALA 18 HN ALA 18 -3.205 8.307 3.939 135 HA ALA 18 HA ALA 18 -2.442 6.263 1.969 136 HB1 ALA 18 HB1 ALA 18 -2.746 8.531 0.988 137 HB2 ALA 18 HB2 ALA 18 -1.115 7.886 0.801 138 HB3 ALA 18 HB3 ALA 18 -1.445 9.115 2.027 139 H GLY 19 HN GLY 19 -0.082 6.074 1.713 140 HA2 GLY 19 HA2 GLY 19 1.519 6.784 4.048 141 HA3 GLY 19 HA1 GLY 19 1.344 5.067 3.703 142 H CYS 20 HN CYS 20 3.788 6.617 3.676 143 HA CYS 20 HA CYS 20 4.366 6.730 0.809 144 HB2 CYS 20 HB2 CYS 20 5.838 8.455 1.144 145 HB3 CYS 20 HB1 CYS 20 4.651 8.791 2.393 146 H PHE 21 HN PHE 21 6.285 5.918 0.026 147 HA PHE 21 HA PHE 21 7.879 4.289 1.855 148 HB2 PHE 21 HB2 PHE 21 6.485 2.655 0.972 149 HB3 PHE 21 HB1 PHE 21 6.523 3.383 -0.616 150 HD1 PHE 21 HD1 PHE 21 8.907 2.062 1.836 151 HD2 PHE 21 HD2 PHE 21 7.815 2.319 -2.225 152 HE1 PHE 21 HE1 PHE 21 10.766 0.583 1.254 153 HE2 PHE 21 HE2 PHE 21 9.701 0.865 -2.819 154 HZ PHE 21 HZ PHE 21 11.178 -0.004 -1.025 155 H ARG 22 HN ARG 22 9.988 4.352 1.485 156 HA ARG 22 HA ARG 22 10.971 5.466 -1.041 157 HB2 ARG 22 HB2 ARG 22 11.417 7.274 0.326 158 HB3 ARG 22 HB1 ARG 22 11.571 6.289 1.759 159 HG2 ARG 22 HG2 ARG 22 13.721 5.524 1.042 160 HG3 ARG 22 HG1 ARG 22 13.569 6.415 -0.458 161 HD2 ARG 22 HD2 ARG 22 13.141 8.094 1.841 162 HD3 ARG 22 HD1 ARG 22 14.708 7.291 1.896 163 HE ARG 22 HE ARG 22 13.924 8.568 -0.595 164 HH11 ARG 22 HH11 ARG 22 15.946 8.553 2.276 165 HH12 ARG 22 HH12 ARG 22 16.975 9.833 1.720 166 HH21 ARG 22 HH21 ARG 22 15.254 10.295 -1.306 167 HH22 ARG 22 HH22 ARG 22 16.568 10.845 -0.303 168 H ASP 23 HN ASP 23 12.431 4.143 -1.994 169 HA ASP 23 HA ASP 23 12.717 1.635 -0.523 170 HB2 ASP 23 HB2 ASP 23 12.746 0.509 -2.558 171 HB3 ASP 23 HB1 ASP 23 11.576 1.801 -2.785 172 H ASP 24 HN ASP 24 14.614 0.401 -2.109 173 HA ASP 24 HA ASP 24 16.995 1.033 -0.761 174 HB2 ASP 24 HB2 ASP 24 16.573 -1.216 -1.462 175 HB3 ASP 24 HB1 ASP 24 16.397 -0.714 -3.134 176 H ASP 25 HN ASP 25 15.791 1.826 -3.971 177 HA ASP 25 HA ASP 25 18.229 2.906 -4.970 178 HB2 ASP 25 HB2 ASP 25 16.606 2.310 -6.588 179 HB3 ASP 25 HB1 ASP 25 15.336 3.206 -5.762 180 H GLY 26 HN GLY 26 15.698 4.130 -2.951 181 HA2 GLY 26 HA2 GLY 26 16.081 6.119 -1.608 182 HA3 GLY 26 HA1 GLY 26 16.987 6.787 -2.961 183 H THR 27 HN THR 27 14.618 5.280 -4.418 184 HA THR 27 HA THR 27 13.118 7.517 -5.177 185 HB THR 27 HB THR 27 12.554 4.572 -5.261 186 HG1 THR 27 HG1 THR 27 14.283 5.398 -6.602 187 HG21 THR 27 HG21 THR 27 10.409 5.678 -5.305 188 HG22 THR 27 HG22 THR 27 10.786 5.089 -6.924 189 HG23 THR 27 HG23 THR 27 10.976 6.801 -6.542 190 H GLU 28 HN GLU 28 11.433 8.504 -4.254 191 HA GLU 28 HA GLU 28 10.215 7.242 -1.899 192 HB2 GLU 28 HB2 GLU 28 10.531 10.160 -2.611 193 HB3 GLU 28 HB1 GLU 28 9.702 9.555 -1.181 194 HG2 GLU 28 HG2 GLU 28 11.627 9.003 -0.117 195 HG3 GLU 28 HG1 GLU 28 12.482 8.643 -1.606 196 H GLU 29 HN GLU 29 8.116 6.823 -1.905 197 HA GLU 29 HA GLU 29 6.399 8.099 -3.948 198 HB2 GLU 29 HB2 GLU 29 7.269 5.887 -4.774 199 HB3 GLU 29 HB1 GLU 29 6.491 5.132 -3.392 200 HG2 GLU 29 HG2 GLU 29 5.167 4.894 -5.418 201 HG3 GLU 29 HG1 GLU 29 4.321 5.822 -4.181 202 H TRP 30 HN TRP 30 4.065 7.745 -3.435 203 HA TRP 30 HA TRP 30 3.615 6.508 -0.838 204 HB2 TRP 30 HB2 TRP 30 2.036 8.228 -0.120 205 HB3 TRP 30 HB1 TRP 30 3.648 8.894 -0.338 206 HD1 TRP 30 HD TRP 30 3.858 10.965 -1.860 207 HE1 TRP 30 HE1 TRP 30 2.218 12.291 -3.335 208 HE3 TRP 30 HE3 TRP 30 -0.124 7.773 -1.689 209 HZ2 TRP 30 HZ2 TRP 30 -0.428 12.017 -4.296 210 HZ3 TRP 30 HZ3 TRP 30 -2.182 8.396 -2.909 211 HH2 TRP 30 HH TRP 30 -2.316 10.474 -4.183 212 H ARG 31 HN ARG 31 1.482 5.761 -0.525 213 HA ARG 31 HA ARG 31 -0.143 5.443 -2.943 214 HB2 ARG 31 HB2 ARG 31 0.865 3.160 -1.254 215 HB3 ARG 31 HB1 ARG 31 -0.431 3.009 -2.425 216 HG2 ARG 31 HG2 ARG 31 1.280 3.849 -4.133 217 HG3 ARG 31 HG1 ARG 31 2.477 3.492 -2.888 218 HD2 ARG 31 HD2 ARG 31 1.423 1.175 -2.762 219 HD3 ARG 31 HD1 ARG 31 0.613 1.584 -4.273 220 HE ARG 31 HE ARG 31 3.394 2.072 -4.486 221 HH11 ARG 31 HH11 ARG 31 1.146 -0.617 -4.287 222 HH12 ARG 31 HH12 ARG 31 2.159 -1.677 -5.211 223 HH21 ARG 31 HH21 ARG 31 4.704 0.677 -5.718 224 HH22 ARG 31 HH22 ARG 31 4.183 -0.965 -5.997 225 H CYS 32 HN CYS 32 -2.089 3.905 -2.138 226 HA CYS 32 HA CYS 32 -3.189 5.360 0.173 227 HB2 CYS 32 HB2 CYS 32 -4.643 4.071 -2.160 228 HB3 CYS 32 HB1 CYS 32 -5.395 4.993 -0.861 229 H LEU 33 HN LEU 33 -3.785 4.222 1.850 230 HA LEU 33 HA LEU 33 -2.848 1.658 2.240 231 HB2 LEU 33 HB2 LEU 33 -5.094 2.910 3.786 232 HB3 LEU 33 HB1 LEU 33 -4.016 1.656 4.342 233 HG LEU 33 HG LEU 33 -3.628 4.588 4.202 234 HD11 LEU 33 HD11 LEU 33 -4.053 3.462 6.299 235 HD12 LEU 33 HD12 LEU 33 -2.435 4.164 6.287 236 HD13 LEU 33 HD13 LEU 33 -2.646 2.427 6.051 237 HD21 LEU 33 HD21 LEU 33 -1.298 4.573 3.999 238 HD22 LEU 33 HD22 LEU 33 -1.887 3.596 2.651 239 HD23 LEU 33 HD23 LEU 33 -1.209 2.808 4.080 240 H LEU 34 HN LEU 34 -4.166 -0.205 3.018 241 HA LEU 34 HA LEU 34 -5.376 -1.200 0.721 242 HB2 LEU 34 HB2 LEU 34 -5.305 -2.403 3.474 243 HB3 LEU 34 HB1 LEU 34 -5.552 -3.260 1.963 244 HG LEU 34 HG LEU 34 -3.037 -1.814 2.788 245 HD11 LEU 34 HD11 LEU 34 -3.597 -4.744 2.402 246 HD12 LEU 34 HD12 LEU 34 -3.345 -3.923 3.946 247 HD13 LEU 34 HD13 LEU 34 -2.030 -4.022 2.775 248 HD21 LEU 34 HD21 LEU 34 -3.508 -1.614 0.390 249 HD22 LEU 34 HD22 LEU 34 -3.622 -3.370 0.278 250 HD23 LEU 34 HD23 LEU 34 -2.090 -2.612 0.715 251 H GLY 35 HN GLY 35 -7.380 -1.360 0.084 252 HA2 GLY 35 HA2 GLY 35 -9.712 -1.647 0.373 253 HA3 GLY 35 HA1 GLY 35 -9.560 -1.036 2.016 254 H TYR 36 HN TYR 36 -7.703 1.062 0.545 255 HA TYR 36 HA TYR 36 -9.929 2.947 0.369 256 HB2 TYR 36 HB2 TYR 36 -6.959 3.460 0.600 257 HB3 TYR 36 HB1 TYR 36 -8.227 4.682 0.651 258 HD1 TYR 36 HD1 TYR 36 -6.485 4.787 2.795 259 HD2 TYR 36 HD2 TYR 36 -9.746 2.120 2.290 260 HE1 TYR 36 HE1 TYR 36 -6.631 4.498 5.234 261 HE2 TYR 36 HE2 TYR 36 -9.911 1.822 4.717 262 HH TYR 36 HH TYR 36 -8.339 2.028 6.701 263 H LYS 37 HN LYS 37 -9.073 4.938 -1.130 264 HA LYS 37 HA LYS 37 -8.238 3.853 -3.705 265 HB2 LYS 37 HB2 LYS 37 -10.174 4.861 -4.829 266 HB3 LYS 37 HB1 LYS 37 -10.675 3.631 -3.687 267 HG2 LYS 37 HG2 LYS 37 -11.236 5.376 -2.069 268 HG3 LYS 37 HG1 LYS 37 -10.752 6.606 -3.240 269 HD2 LYS 37 HD2 LYS 37 -12.479 5.700 -4.793 270 HD3 LYS 37 HD1 LYS 37 -13.004 4.625 -3.497 271 HE2 LYS 37 HE2 LYS 37 -13.568 6.505 -2.098 272 HE3 LYS 37 HE1 LYS 37 -12.936 7.632 -3.297 273 HZ1 LYS 37 HZ1 LYS 37 -15.224 5.796 -3.763 274 HZ2 LYS 37 HZ2 LYS 37 -14.663 7.009 -4.812 275 HZ3 LYS 37 HZ3 LYS 37 -15.374 7.429 -3.330 276 H LYS 38 HN LYS 38 -8.183 5.734 -5.325 277 HA LYS 38 HA LYS 38 -6.825 7.978 -4.054 278 HB2 LYS 38 HB2 LYS 38 -5.941 6.677 -6.104 279 HB3 LYS 38 HB1 LYS 38 -7.164 7.547 -7.018 280 HG2 LYS 38 HG2 LYS 38 -5.107 8.716 -7.239 281 HG3 LYS 38 HG1 LYS 38 -6.169 9.674 -6.203 282 HD2 LYS 38 HD2 LYS 38 -4.194 9.756 -5.022 283 HD3 LYS 38 HD1 LYS 38 -4.996 8.360 -4.277 284 HE2 LYS 38 HE2 LYS 38 -3.073 8.090 -6.574 285 HE3 LYS 38 HE1 LYS 38 -2.535 8.096 -4.894 286 HZ1 LYS 38 HZ1 LYS 38 -4.320 6.137 -6.231 287 HZ2 LYS 38 HZ2 LYS 38 -4.122 6.212 -4.549 288 HZ3 LYS 38 HZ3 LYS 38 -2.798 5.858 -5.538 289 H GLY 39 HN GLY 39 -7.664 9.966 -3.917 290 HA2 GLY 39 HA2 GLY 39 -10.471 10.201 -4.683 291 HA3 GLY 39 HA1 GLY 39 -9.615 11.225 -3.543 292 H GLU 40 HN GLU 40 -8.275 12.906 -4.349 293 HA GLU 40 HA GLU 40 -9.197 13.825 -6.977 294 HB2 GLU 40 HB2 GLU 40 -8.770 16.085 -6.128 295 HB3 GLU 40 HB1 GLU 40 -9.878 15.195 -5.094 296 HG2 GLU 40 HG2 GLU 40 -7.893 14.662 -3.631 297 HG3 GLU 40 HG1 GLU 40 -6.997 15.845 -4.583 298 H GLY 41 HN GLY 41 -7.248 12.134 -7.381 299 HA2 GLY 41 HA2 GLY 41 -5.385 12.199 -8.790 300 HA3 GLY 41 HA1 GLY 41 -5.136 13.882 -8.345 301 H ASN 42 HN ASN 42 -4.611 14.091 -5.871 302 HA ASN 42 HA ASN 42 -2.557 12.076 -5.284 303 HB2 ASN 42 HB2 ASN 42 -1.117 13.882 -4.402 304 HB3 ASN 42 HB1 ASN 42 -1.447 14.061 -6.120 305 HD21 ASN 42 HD21 ASN 42 -1.864 15.392 -2.969 306 HD22 ASN 42 HD22 ASN 42 -2.589 16.888 -3.461 307 H THR 43 HN THR 43 -5.085 11.887 -4.241 308 HA THR 43 HA THR 43 -4.430 12.192 -1.412 309 HB THR 43 HB THR 43 -6.850 12.583 -0.902 310 HG1 THR 43 HG1 THR 43 -8.177 13.323 -2.509 311 HG21 THR 43 HG21 THR 43 -6.705 15.001 -1.305 312 HG22 THR 43 HG22 THR 43 -5.350 14.719 -2.405 313 HG23 THR 43 HG23 THR 43 -5.195 14.325 -0.691 314 H CYS 44 HN CYS 44 -5.237 10.637 -0.080 315 HA CYS 44 HA CYS 44 -6.468 8.356 -1.453 316 HB2 CYS 44 HB2 CYS 44 -4.680 8.371 0.983 317 HB3 CYS 44 HB1 CYS 44 -5.438 6.937 0.279 318 H VAL 45 HN VAL 45 -8.230 7.448 -0.600 319 HA VAL 45 HA VAL 45 -9.435 8.644 1.768 320 HB VAL 45 HB VAL 45 -11.578 8.997 0.541 321 HG11 VAL 45 HG11 VAL 45 -10.969 11.126 -0.434 322 HG12 VAL 45 HG12 VAL 45 -9.285 10.619 -0.573 323 HG13 VAL 45 HG13 VAL 45 -10.005 10.860 1.021 324 HG21 VAL 45 HG21 VAL 45 -11.143 7.527 -1.370 325 HG22 VAL 45 HG22 VAL 45 -9.864 8.612 -1.918 326 HG23 VAL 45 HG23 VAL 45 -11.538 9.162 -1.902 327 H GLU 46 HN GLU 46 -11.017 7.400 2.700 328 HA GLU 46 HA GLU 46 -10.662 4.637 2.477 329 HB2 GLU 46 HB2 GLU 46 -12.445 6.460 3.963 330 HB3 GLU 46 HB1 GLU 46 -13.012 4.804 3.781 331 HG2 GLU 46 HG2 GLU 46 -11.010 3.962 4.828 332 HG3 GLU 46 HG1 GLU 46 -10.354 5.602 4.953 333 H ASN 47 HN ASN 47 -11.236 3.487 0.784 334 HA ASN 47 HA ASN 47 -13.767 3.997 -0.560 335 HB2 ASN 47 HB2 ASN 47 -11.834 3.511 -1.973 336 HB3 ASN 47 HB1 ASN 47 -11.545 2.008 -1.107 337 HD21 ASN 47 HD21 ASN 47 -11.606 0.989 -3.122 338 HD22 ASN 47 HD22 ASN 47 -13.120 0.566 -3.845 339 H ASN 48 HN ASN 48 -15.571 2.875 -0.093 340 HA ASN 48 HA ASN 48 -15.303 0.788 1.949 341 HB2 ASN 48 HB2 ASN 48 -17.434 2.725 1.230 342 HB3 ASN 48 HB1 ASN 48 -17.962 1.157 1.832 343 HD21 ASN 48 HD21 ASN 48 -14.925 2.438 2.851 344 HD22 ASN 48 HD22 ASN 48 -15.398 2.855 4.465 345 H ASN 49 HN ASN 49 -15.406 0.981 -1.276 346 HA ASN 49 HA ASN 49 -16.477 -1.757 -1.438 347 HB2 ASN 49 HB2 ASN 49 -17.993 0.037 -2.419 348 HB3 ASN 49 HB1 ASN 49 -16.734 0.287 -3.619 349 HD21 ASN 49 HD21 ASN 49 -16.425 -1.255 -5.220 350 HD22 ASN 49 HD22 ASN 49 -17.555 -2.530 -5.517 351 HA PRO 50 HA PRO 50 -12.104 -1.171 -3.253 352 HB2 PRO 50 HB2 PRO 50 -10.987 -3.040 -1.549 353 HB3 PRO 50 HB1 PRO 50 -10.788 -1.300 -1.432 354 HG2 PRO 50 HG2 PRO 50 -12.532 -3.110 0.099 355 HG3 PRO 50 HG1 PRO 50 -11.802 -1.575 0.573 356 HD2 PRO 50 HD2 PRO 50 -14.428 -1.874 -0.024 357 HD3 PRO 50 HD1 PRO 50 -13.548 -0.360 -0.243 358 H THR 51 HN THR 51 -11.689 -2.372 -4.871 359 HA THR 51 HA THR 51 -12.658 -5.141 -4.980 360 HB THR 51 HB THR 51 -14.031 -3.642 -6.383 361 HG1 THR 51 HG1 THR 51 -14.161 -5.195 -7.807 362 HG21 THR 51 HG21 THR 51 -13.056 -2.597 -8.390 363 HG22 THR 51 HG22 THR 51 -11.450 -3.088 -7.855 364 HG23 THR 51 HG23 THR 51 -12.378 -1.927 -6.909 365 H CYS 52 HN CYS 52 -11.269 -6.624 -6.113 366 HA CYS 52 HA CYS 52 -8.510 -5.720 -6.328 367 HB2 CYS 52 HB2 CYS 52 -9.347 -8.067 -5.497 368 HB3 CYS 52 HB1 CYS 52 -9.530 -8.420 -7.210 369 H ASP 53 HN ASP 53 -7.545 -5.292 -8.255 370 HA ASP 53 HA ASP 53 -8.099 -5.324 -10.825 371 HB2 ASP 53 HB2 ASP 53 -10.537 -5.110 -10.438 372 HB3 ASP 53 HB1 ASP 53 -10.272 -3.622 -9.545 373 H ILE 54 HN ILE 54 -8.659 -2.849 -8.352 374 HA ILE 54 HA ILE 54 -7.083 -0.888 -9.743 375 HB ILE 54 HB ILE 54 -8.111 -0.741 -6.915 376 HG12 ILE 54 HG12 ILE 54 -9.505 0.235 -9.422 377 HG13 ILE 54 HG11 ILE 54 -9.917 -1.254 -8.580 378 HG21 ILE 54 HG21 ILE 54 -6.325 0.839 -7.670 379 HG22 ILE 54 HG22 ILE 54 -7.829 1.621 -7.143 380 HG23 ILE 54 HG23 ILE 54 -7.474 1.468 -8.866 381 HD11 ILE 54 HD11 ILE 54 -10.060 1.509 -7.396 382 HD12 ILE 54 HD12 ILE 54 -10.539 0.005 -6.605 383 HD13 ILE 54 HD13 ILE 54 -11.426 0.584 -8.017 384 H ASN 55 HN ASN 55 -5.037 -1.823 -9.815 385 HA ASN 55 HA ASN 55 -2.947 -2.343 -9.062 386 HB2 ASN 55 HB2 ASN 55 -3.332 0.046 -8.175 387 HB3 ASN 55 HB1 ASN 55 -3.578 -0.711 -6.613 388 HD21 ASN 55 HD21 ASN 55 -1.736 0.237 -5.732 389 HD22 ASN 55 HD22 ASN 55 -0.149 -0.281 -6.167 390 H ASN 56 HN ASN 56 -4.885 -4.222 -8.565 391 HA ASN 56 HA ASN 56 -5.041 -6.245 -7.509 392 HB2 ASN 56 HB2 ASN 56 -2.911 -5.544 -5.510 393 HB3 ASN 56 HB1 ASN 56 -3.240 -7.095 -6.272 394 HD21 ASN 56 HD21 ASN 56 -0.944 -5.130 -5.946 395 HD22 ASN 56 HD22 ASN 56 -0.236 -5.121 -7.514 396 H GLY 57 HN GLY 57 -6.204 -3.600 -6.541 397 HA2 GLY 57 HA2 GLY 57 -8.003 -3.400 -5.014 398 HA3 GLY 57 HA1 GLY 57 -7.292 -4.691 -4.053 399 H GLY 58 HN GLY 58 -4.927 -2.527 -4.999 400 HA2 GLY 58 HA2 GLY 58 -4.311 -0.473 -3.855 401 HA3 GLY 58 HA1 GLY 58 -5.150 -1.086 -2.435 402 H CYS 59 HN CYS 59 -3.425 -3.403 -4.141 403 HA CYS 59 HA CYS 59 -1.370 -3.555 -2.050 404 HB2 CYS 59 HB2 CYS 59 -2.008 -5.743 -4.005 405 HB3 CYS 59 HB1 CYS 59 -1.319 -5.873 -2.393 406 H ASP 60 HN ASP 60 0.547 -4.850 -2.964 407 HA ASP 60 HA ASP 60 1.454 -3.593 -5.466 408 HB2 ASP 60 HB2 ASP 60 2.783 -3.625 -3.239 409 HB3 ASP 60 HB1 ASP 60 3.066 -5.318 -3.596 410 HA PRO 61 HA PRO 61 0.532 -7.262 -7.625 411 HB2 PRO 61 HB2 PRO 61 3.131 -6.980 -9.035 412 HB3 PRO 61 HB1 PRO 61 1.497 -7.026 -9.692 413 HG2 PRO 61 HG2 PRO 61 2.945 -4.762 -9.559 414 HG3 PRO 61 HG1 PRO 61 1.180 -4.781 -9.413 415 HD2 PRO 61 HD2 PRO 61 3.246 -4.401 -7.319 416 HD3 PRO 61 HD1 PRO 61 1.596 -3.774 -7.416 417 H THR 62 HN THR 62 3.454 -6.854 -5.880 418 HA THR 62 HA THR 62 4.205 -9.651 -5.974 419 HB THR 62 HB THR 62 6.057 -8.989 -4.548 420 HG1 THR 62 HG1 THR 62 5.226 -6.291 -4.523 421 HG21 THR 62 HG21 THR 62 7.044 -7.211 -5.979 422 HG22 THR 62 HG22 THR 62 5.454 -6.971 -6.718 423 HG23 THR 62 HG23 THR 62 6.299 -8.510 -6.911 424 H ALA 63 HN ALA 63 2.194 -7.579 -4.202 425 HA ALA 63 HA ALA 63 1.921 -9.389 -1.933 426 HB1 ALA 63 HB1 ALA 63 0.521 -6.786 -2.629 427 HB2 ALA 63 HB2 ALA 63 1.828 -7.008 -1.455 428 HB3 ALA 63 HB3 ALA 63 0.244 -7.727 -1.154 429 H SER 64 HN SER 64 0.582 -11.062 -2.041 430 HA SER 64 HA SER 64 -1.021 -11.596 -4.317 431 HB2 SER 64 HB2 SER 64 0.049 -13.328 -2.846 432 HB3 SER 64 HB1 SER 64 -1.133 -12.939 -1.602 433 HG SER 64 HG SER 64 -1.963 -13.663 -4.201 434 H CYS 65 HN CYS 65 -2.826 -10.463 -4.751 435 HA CYS 65 HA CYS 65 -4.401 -9.299 -2.647 436 HB2 CYS 65 HB2 CYS 65 -4.371 -7.983 -4.608 437 HB3 CYS 65 HB1 CYS 65 -4.705 -9.374 -5.635 438 H GLN 66 HN GLN 66 -6.166 -9.937 -1.802 439 HA GLN 66 HA GLN 66 -7.679 -12.156 -2.990 440 HB2 GLN 66 HB2 GLN 66 -7.876 -11.721 -0.067 441 HB3 GLN 66 HB1 GLN 66 -7.894 -13.226 -0.977 442 HG2 GLN 66 HG2 GLN 66 -5.396 -11.659 -0.776 443 HG3 GLN 66 HG1 GLN 66 -5.906 -12.630 0.590 444 HE21 GLN 66 HE21 GLN 66 -3.597 -12.866 -1.118 445 HE22 GLN 66 HE22 GLN 66 -3.643 -14.452 -1.810 446 H ASN 67 HN ASN 67 -9.616 -11.315 -3.653 447 HA ASN 67 HA ASN 67 -10.536 -8.893 -2.358 448 HB2 ASN 67 HB2 ASN 67 -12.481 -9.081 -3.998 449 HB3 ASN 67 HB1 ASN 67 -10.900 -8.693 -4.627 450 HD21 ASN 67 HD21 ASN 67 -13.206 -9.785 -5.953 451 HD22 ASN 67 HD22 ASN 67 -12.713 -11.293 -6.630 452 H ALA 68 HN ALA 68 -12.041 -8.684 -1.028 453 HA ALA 68 HA ALA 68 -13.698 -10.943 -0.208 454 HB1 ALA 68 HB1 ALA 68 -12.928 -10.653 2.147 455 HB2 ALA 68 HB2 ALA 68 -11.644 -9.603 1.535 456 HB3 ALA 68 HB3 ALA 68 -11.700 -11.298 1.055 457 H GLU 69 HN GLU 69 -15.150 -10.230 1.619 458 HA GLU 69 HA GLU 69 -15.668 -7.346 1.574 459 HB2 GLU 69 HB2 GLU 69 -17.752 -9.526 1.468 460 HB3 GLU 69 HB1 GLU 69 -18.088 -7.810 1.617 461 HG2 GLU 69 HG2 GLU 69 -17.213 -7.386 -0.570 462 HG3 GLU 69 HG1 GLU 69 -16.656 -9.052 -0.717 463 H SER 70 HN SER 70 -15.565 -6.544 3.535 464 HA SER 70 HA SER 70 -16.425 -8.114 5.831 465 HB2 SER 70 HB2 SER 70 -13.949 -8.539 5.396 466 HB3 SER 70 HB1 SER 70 -13.674 -6.836 5.760 467 HG SER 70 HG SER 70 -13.699 -8.761 7.466 468 H THR 71 HN THR 71 -16.552 -6.740 7.800 469 HA THR 71 HA THR 71 -17.708 -4.235 7.380 470 HB THR 71 HB THR 71 -18.135 -5.370 9.448 471 HG1 THR 71 HG1 THR 71 -18.032 -3.627 10.724 472 HG21 THR 71 HG21 THR 71 -15.195 -5.080 10.094 473 HG22 THR 71 HG22 THR 71 -15.999 -6.582 9.628 474 HG23 THR 71 HG23 THR 71 -16.430 -5.782 11.140 475 H GLU 72 HN GLU 72 -14.400 -5.193 7.816 476 HA GLU 72 HA GLU 72 -13.402 -2.482 8.006 477 HB2 GLU 72 HB2 GLU 72 -11.940 -5.089 7.692 478 HB3 GLU 72 HB1 GLU 72 -11.209 -3.542 8.083 479 HG2 GLU 72 HG2 GLU 72 -13.318 -4.715 9.824 480 HG3 GLU 72 HG1 GLU 72 -11.637 -5.242 9.961 481 H ASN 73 HN ASN 73 -13.059 -1.281 6.205 482 HA ASN 73 HA ASN 73 -13.138 -2.247 3.567 483 HB2 ASN 73 HB2 ASN 73 -11.716 -0.075 3.120 484 HB3 ASN 73 HB1 ASN 73 -13.390 0.064 3.616 485 HD21 ASN 73 HD21 ASN 73 -13.119 2.089 4.470 486 HD22 ASN 73 HD22 ASN 73 -12.234 2.399 5.924 487 H SER 74 HN SER 74 -10.539 -1.998 5.874 488 HA SER 74 HA SER 74 -8.492 -2.523 3.956 489 HB2 SER 74 HB2 SER 74 -8.111 -1.240 6.071 490 HB3 SER 74 HB1 SER 74 -8.361 -2.728 6.979 491 HG SER 74 HG SER 74 -6.346 -2.318 5.019 492 H LYS 75 HN LYS 75 -10.722 -4.428 5.686 493 HA LYS 75 HA LYS 75 -9.118 -6.855 5.432 494 HB2 LYS 75 HB2 LYS 75 -11.740 -6.257 6.783 495 HB3 LYS 75 HB1 LYS 75 -11.172 -7.903 6.533 496 HG2 LYS 75 HG2 LYS 75 -9.515 -5.843 7.921 497 HG3 LYS 75 HG1 LYS 75 -10.667 -6.877 8.772 498 HD2 LYS 75 HD2 LYS 75 -8.563 -7.999 6.948 499 HD3 LYS 75 HD1 LYS 75 -8.254 -7.683 8.650 500 HE2 LYS 75 HE2 LYS 75 -9.847 -9.248 9.356 501 HE3 LYS 75 HE1 LYS 75 -10.610 -9.305 7.769 502 HZ1 LYS 75 HZ1 LYS 75 -7.859 -10.291 8.322 503 HZ2 LYS 75 HZ2 LYS 75 -8.748 -10.477 6.889 504 HZ3 LYS 75 HZ3 LYS 75 -9.240 -11.278 8.296 505 H LYS 76 HN LYS 76 -10.960 -5.080 3.441 506 HA LYS 76 HA LYS 76 -12.453 -7.240 2.223 507 HB2 LYS 76 HB2 LYS 76 -12.052 -4.428 1.258 508 HB3 LYS 76 HB1 LYS 76 -13.197 -5.604 0.628 509 HG2 LYS 76 HG2 LYS 76 -14.271 -5.674 2.845 510 HG3 LYS 76 HG1 LYS 76 -13.191 -4.381 3.359 511 HD2 LYS 76 HD2 LYS 76 -14.118 -3.175 1.236 512 HD3 LYS 76 HD1 LYS 76 -15.436 -4.327 1.423 513 HE2 LYS 76 HE2 LYS 76 -15.288 -3.523 3.924 514 HE3 LYS 76 HE1 LYS 76 -14.610 -2.088 3.166 515 HZ1 LYS 76 HZ1 LYS 76 -16.991 -1.877 3.452 516 HZ2 LYS 76 HZ2 LYS 76 -17.261 -3.302 2.579 517 HZ3 LYS 76 HZ3 LYS 76 -16.621 -1.940 1.800 518 H ILE 77 HN ILE 77 -9.597 -5.309 1.649 519 HA ILE 77 HA ILE 77 -8.906 -7.153 -0.527 520 HB ILE 77 HB ILE 77 -7.751 -4.422 0.015 521 HG12 ILE 77 HG12 ILE 77 -10.029 -4.259 -0.816 522 HG13 ILE 77 HG11 ILE 77 -8.906 -3.788 -2.088 523 HG21 ILE 77 HG21 ILE 77 -7.291 -6.334 -2.264 524 HG22 ILE 77 HG22 ILE 77 -6.139 -5.951 -0.985 525 HG23 ILE 77 HG23 ILE 77 -6.626 -4.705 -2.137 526 HD11 ILE 77 HD11 ILE 77 -10.238 -6.471 -1.831 527 HD12 ILE 77 HD12 ILE 77 -9.158 -5.960 -3.131 528 HD13 ILE 77 HD13 ILE 77 -10.725 -5.172 -2.926 529 H ILE 78 HN ILE 78 -7.622 -8.647 0.069 530 HA ILE 78 HA ILE 78 -5.913 -8.230 2.397 531 HB ILE 78 HB ILE 78 -6.630 -10.803 0.981 532 HG12 ILE 78 HG12 ILE 78 -7.821 -11.190 3.242 533 HG13 ILE 78 HG11 ILE 78 -7.708 -9.449 3.448 534 HG21 ILE 78 HG21 ILE 78 -5.116 -10.302 3.535 535 HG22 ILE 78 HG22 ILE 78 -4.457 -10.930 2.023 536 HG23 ILE 78 HG23 ILE 78 -5.621 -11.886 2.941 537 HD11 ILE 78 HD11 ILE 78 -9.052 -10.797 1.112 538 HD12 ILE 78 HD12 ILE 78 -9.054 -9.073 1.494 539 HD13 ILE 78 HD13 ILE 78 -9.890 -10.212 2.550 540 H CYS 79 HN CYS 79 -4.072 -7.368 1.820 541 HA CYS 79 HA CYS 79 -2.698 -8.288 -0.594 542 HB2 CYS 79 HB2 CYS 79 -1.932 -6.007 1.227 543 HB3 CYS 79 HB1 CYS 79 -1.392 -6.277 -0.427 544 H THR 80 HN THR 80 -1.348 -9.917 -0.317 545 HA THR 80 HA THR 80 0.029 -10.196 2.267 546 HB THR 80 HB THR 80 -0.917 -12.350 0.374 547 HG1 THR 80 HG1 THR 80 -1.943 -11.166 2.654 548 HG21 THR 80 HG21 THR 80 -0.170 -13.911 2.168 549 HG22 THR 80 HG22 THR 80 0.618 -12.547 2.964 550 HG23 THR 80 HG23 THR 80 1.151 -13.064 1.363 551 H CYS 81 HN CYS 81 2.112 -9.669 2.067 552 HA CYS 81 HA CYS 81 3.488 -10.006 -0.461 553 HB2 CYS 81 HB2 CYS 81 4.790 -9.216 2.146 554 HB3 CYS 81 HB1 CYS 81 5.262 -8.782 0.510 555 H LYS 82 HN LYS 82 5.154 -11.525 -0.837 556 HA LYS 82 HA LYS 82 4.677 -13.996 0.591 557 HB2 LYS 82 HB2 LYS 82 6.237 -13.408 -1.912 558 HB3 LYS 82 HB1 LYS 82 6.118 -15.009 -1.202 559 HG2 LYS 82 HG2 LYS 82 4.497 -15.057 -2.831 560 HG3 LYS 82 HG1 LYS 82 3.567 -14.640 -1.390 561 HD2 LYS 82 HD2 LYS 82 3.660 -12.282 -2.016 562 HD3 LYS 82 HD1 LYS 82 4.598 -12.698 -3.451 563 HE2 LYS 82 HE2 LYS 82 1.775 -13.549 -2.834 564 HE3 LYS 82 HE1 LYS 82 2.276 -12.361 -4.038 565 HZ1 LYS 82 HZ1 LYS 82 2.873 -15.273 -4.069 566 HZ2 LYS 82 HZ2 LYS 82 3.496 -14.154 -5.179 567 HZ3 LYS 82 HZ3 LYS 82 1.827 -14.444 -5.114 568 H GLU 83 HN GLU 83 6.794 -15.500 0.396 569 HA GLU 83 HA GLU 83 8.313 -15.015 2.620 570 HB2 GLU 83 HB2 GLU 83 9.121 -16.655 0.237 571 HB3 GLU 83 HB1 GLU 83 9.774 -16.799 1.861 572 HG2 GLU 83 HG2 GLU 83 7.602 -17.458 2.688 573 HG3 GLU 83 HG1 GLU 83 6.914 -17.280 1.079 574 HA PRO 84 HA PRO 84 12.010 -13.343 0.096 575 HB2 PRO 84 HB2 PRO 84 11.667 -12.277 -2.340 576 HB3 PRO 84 HB1 PRO 84 11.919 -14.011 -2.112 577 HG2 PRO 84 HG2 PRO 84 9.410 -12.522 -2.682 578 HG3 PRO 84 HG1 PRO 84 9.916 -14.126 -3.238 579 HD2 PRO 84 HD2 PRO 84 8.158 -13.609 -1.143 580 HD3 PRO 84 HD1 PRO 84 9.014 -15.138 -1.413 581 H THR 85 HN THR 85 9.097 -12.073 0.657 582 HA THR 85 HA THR 85 10.137 -9.347 0.789 583 HB THR 85 HB THR 85 7.989 -8.457 0.247 584 HG1 THR 85 HG1 THR 85 7.062 -10.673 1.309 585 HG21 THR 85 HG21 THR 85 8.601 -10.830 -1.509 586 HG22 THR 85 HG22 THR 85 9.111 -9.152 -1.738 587 HG23 THR 85 HG23 THR 85 7.413 -9.588 -1.915 588 HA PRO 86 HA PRO 86 9.210 -11.254 4.954 589 HB2 PRO 86 HB2 PRO 86 11.605 -9.756 5.761 590 HB3 PRO 86 HB1 PRO 86 11.270 -11.484 5.913 591 HG2 PRO 86 HG2 PRO 86 13.081 -10.549 4.188 592 HG3 PRO 86 HG1 PRO 86 12.048 -11.933 3.776 593 HD2 PRO 86 HD2 PRO 86 11.763 -9.049 2.993 594 HD3 PRO 86 HD1 PRO 86 11.616 -10.509 1.987 595 H ASN 87 HN ASN 87 9.025 -8.307 3.657 596 HA ASN 87 HA ASN 87 8.103 -6.986 6.073 597 HB2 ASN 87 HB2 ASN 87 10.010 -5.668 4.139 598 HB3 ASN 87 HB1 ASN 87 9.424 -5.029 5.655 599 HD21 ASN 87 HD21 ASN 87 11.693 -7.024 4.105 600 HD22 ASN 87 HD22 ASN 87 12.635 -7.474 5.486 601 H ALA 88 HN ALA 88 7.078 -4.803 5.342 602 HA ALA 88 HA ALA 88 6.081 -4.977 2.596 603 HB1 ALA 88 HB1 ALA 88 4.290 -4.670 5.002 604 HB2 ALA 88 HB2 ALA 88 4.420 -6.109 3.992 605 HB3 ALA 88 HB3 ALA 88 3.781 -4.611 3.317 606 H TYR 89 HN TYR 89 5.616 -3.014 1.662 607 HA TYR 89 HA TYR 89 6.467 -0.617 3.028 608 HB2 TYR 89 HB2 TYR 89 4.934 -0.780 0.425 609 HB3 TYR 89 HB1 TYR 89 5.941 0.532 0.946 610 HD1 TYR 89 HD1 TYR 89 8.157 -1.818 1.756 611 HD2 TYR 89 HD2 TYR 89 6.052 -0.526 -1.689 612 HE1 TYR 89 HE1 TYR 89 9.967 -2.641 0.320 613 HE2 TYR 89 HE2 TYR 89 7.836 -1.346 -3.128 614 HH TYR 89 HH TYR 89 10.156 -1.814 -3.030 615 H TYR 90 HN TYR 90 5.171 0.003 4.646 616 HA TYR 90 HA TYR 90 3.380 0.444 5.948 617 HB2 TYR 90 HB2 TYR 90 2.610 1.510 3.558 618 HB3 TYR 90 HB1 TYR 90 1.296 0.382 3.883 619 HD1 TYR 90 HD1 TYR 90 2.048 3.676 4.175 620 HD2 TYR 90 HD2 TYR 90 0.765 0.457 6.641 621 HE1 TYR 90 HE1 TYR 90 1.072 5.275 5.744 622 HE2 TYR 90 HE2 TYR 90 -0.230 2.058 8.219 623 HH TYR 90 HH TYR 90 -0.682 5.342 7.459 624 H GLU 91 HN GLU 91 0.754 -0.832 4.395 625 HA GLU 91 HA GLU 91 0.754 -2.995 6.346 626 HB2 GLU 91 HB2 GLU 91 -1.572 -2.554 4.555 627 HB3 GLU 91 HB1 GLU 91 -1.533 -2.926 6.270 628 HG2 GLU 91 HG2 GLU 91 -0.759 -0.569 6.664 629 HG3 GLU 91 HG1 GLU 91 -1.079 -0.266 4.955 630 H GLY 92 HN GLY 92 1.599 -2.744 3.132 631 HA2 GLY 92 HA2 GLY 92 2.036 -4.959 1.990 632 HA3 GLY 92 HA1 GLY 92 0.356 -5.326 2.389 633 H VAL 93 HN VAL 93 0.465 -2.144 1.917 634 HA VAL 93 HA VAL 93 -0.911 -2.005 -0.476 635 HB VAL 93 HB VAL 93 0.905 0.142 0.654 636 HG11 VAL 93 HG11 VAL 93 -1.594 0.298 -0.997 637 HG12 VAL 93 HG12 VAL 93 0.050 0.697 -1.512 638 HG13 VAL 93 HG13 VAL 93 -0.758 1.678 -0.289 639 HG21 VAL 93 HG21 VAL 93 -1.058 0.915 1.949 640 HG22 VAL 93 HG22 VAL 93 -0.457 -0.661 2.469 641 HG23 VAL 93 HG23 VAL 93 -1.912 -0.557 1.478 642 H PHE 94 HN PHE 94 2.496 -1.943 0.255 643 HA PHE 94 HA PHE 94 3.013 -2.937 -2.383 644 HB2 PHE 94 HB2 PHE 94 5.196 -1.296 -2.156 645 HB3 PHE 94 HB1 PHE 94 3.848 -1.055 -3.243 646 HD1 PHE 94 HD1 PHE 94 2.497 -0.195 -0.114 647 HD2 PHE 94 HD2 PHE 94 5.372 1.134 -2.956 648 HE1 PHE 94 HE1 PHE 94 2.278 2.100 0.731 649 HE2 PHE 94 HE2 PHE 94 5.152 3.424 -2.113 650 HZ PHE 94 HZ PHE 94 3.601 3.919 -0.274 651 H CYS 95 HN CYS 95 5.186 -3.991 -2.522 652 HA CYS 95 HA CYS 95 6.538 -4.437 0.026 653 HB2 CYS 95 HB2 CYS 95 5.933 -6.954 -1.440 654 HB3 CYS 95 HB1 CYS 95 6.112 -6.675 0.290 655 H SER 96 HN SER 96 8.617 -5.669 -0.287 656 HA SER 96 HA SER 96 9.694 -5.168 -2.993 657 HB2 SER 96 HB2 SER 96 10.641 -3.859 -0.956 658 HB3 SER 96 HB1 SER 96 11.397 -5.395 -0.522 659 HG SER 96 HG SER 96 11.683 -4.345 -3.121 660 H SER 97 HN SER 97 10.444 -6.863 -4.105 661 HA SER 97 HA SER 97 10.547 -9.430 -2.667 662 HB2 SER 97 HB2 SER 97 10.171 -9.014 -5.622 663 HB3 SER 97 HB1 SER 97 9.920 -10.502 -4.715 664 HG SER 97 HG SER 97 8.448 -8.121 -4.254 665 H SER 98 HN SER 98 12.730 -9.030 -2.064 666 HA SER 98 HA SER 98 14.560 -10.335 -3.766 667 HB2 SER 98 HB2 SER 98 14.475 -8.008 -4.796 668 HB3 SER 98 HB1 SER 98 15.231 -7.423 -3.314 669 HG SER 98 HG SER 98 16.295 -8.914 -5.402 670 H SER 99 HN SER 99 13.525 -10.356 -1.014 671 HA SER 99 HA SER 99 16.087 -10.106 0.401 672 HB2 SER 99 HB2 SER 99 14.158 -8.589 1.143 673 HB3 SER 99 HB1 SER 99 13.418 -10.059 1.756 674 HG SER 99 HG SER 99 15.267 -10.391 3.059 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 20.304 -3.327 -2.306 2 H2 GLY 1 HT2 GLY 1 20.110 -2.185 -1.072 3 H3 GLY 1 HT3 GLY 1 19.714 -1.777 -2.670 4 HA2 GLY 1 HA2 GLY 1 17.937 -3.442 -2.662 5 HA3 GLY 1 HA1 GLY 1 17.701 -2.198 -1.439 6 H VAL 2 HN VAL 2 16.434 -3.515 -0.112 7 HA VAL 2 HA VAL 2 17.593 -5.953 0.936 8 HB VAL 2 HB VAL 2 18.493 -3.836 2.209 9 HG11 VAL 2 HG11 VAL 2 15.745 -4.189 3.413 10 HG12 VAL 2 HG12 VAL 2 16.400 -2.746 2.633 11 HG13 VAL 2 HG13 VAL 2 17.062 -3.290 4.174 12 HG21 VAL 2 HG21 VAL 2 18.926 -5.176 4.062 13 HG22 VAL 2 HG22 VAL 2 18.663 -6.339 2.758 14 HG23 VAL 2 HG23 VAL 2 17.387 -6.021 3.930 15 H ASP 3 HN ASP 3 16.132 -6.713 2.852 16 HA ASP 3 HA ASP 3 13.596 -7.276 2.037 17 HB2 ASP 3 HB2 ASP 3 13.133 -7.995 4.281 18 HB3 ASP 3 HB1 ASP 3 14.793 -8.399 3.883 19 HA PRO 4 HA PRO 4 11.325 -3.685 1.517 20 HB2 PRO 4 HB2 PRO 4 8.946 -4.824 2.589 21 HB3 PRO 4 HB1 PRO 4 9.406 -4.604 0.909 22 HG2 PRO 4 HG2 PRO 4 9.589 -6.979 2.621 23 HG3 PRO 4 HG1 PRO 4 9.508 -6.880 0.857 24 HD2 PRO 4 HD2 PRO 4 11.714 -7.596 2.185 25 HD3 PRO 4 HD1 PRO 4 11.806 -6.691 0.679 26 H LYS 5 HN LYS 5 11.685 -4.762 4.829 27 HA LYS 5 HA LYS 5 9.758 -2.921 5.923 28 HB2 LYS 5 HB2 LYS 5 10.734 -3.520 8.118 29 HB3 LYS 5 HB1 LYS 5 10.227 -4.905 7.181 30 HG2 LYS 5 HG2 LYS 5 12.246 -5.631 7.977 31 HG3 LYS 5 HG1 LYS 5 12.733 -4.943 6.427 32 HD2 LYS 5 HD2 LYS 5 13.170 -2.783 7.722 33 HD3 LYS 5 HD1 LYS 5 13.045 -3.771 9.179 34 HE2 LYS 5 HE2 LYS 5 15.018 -4.084 6.925 35 HE3 LYS 5 HE1 LYS 5 15.358 -3.555 8.571 36 HZ1 LYS 5 HZ1 LYS 5 15.991 -5.817 8.385 37 HZ2 LYS 5 HZ2 LYS 5 14.515 -6.258 7.683 38 HZ3 LYS 5 HZ3 LYS 5 14.571 -5.786 9.316 39 H HIS 6 HN HIS 6 12.309 -2.056 4.334 40 HA HIS 6 HA HIS 6 13.720 -0.410 6.187 41 HB2 HIS 6 HB2 HIS 6 14.682 0.601 4.046 42 HB3 HIS 6 HB1 HIS 6 15.019 -1.098 4.369 43 HD1 HIS 6 HD1 HIS 6 13.788 -2.836 2.874 44 HD2 HIS 6 HD2 HIS 6 13.179 1.135 1.848 45 HE1 HIS 6 HE1 HIS 6 12.634 -2.887 0.649 46 HE2 HIS 6 HE2 HIS 6 12.217 -0.482 0.062 47 H VAL 7 HN VAL 7 10.729 -0.129 5.516 48 HA VAL 7 HA VAL 7 9.151 1.464 5.550 49 HB VAL 7 HB VAL 7 9.463 3.157 7.280 50 HG11 VAL 7 HG11 VAL 7 8.849 0.939 7.946 51 HG12 VAL 7 HG12 VAL 7 10.009 1.566 9.121 52 HG13 VAL 7 HG13 VAL 7 10.529 0.401 7.897 53 HG21 VAL 7 HG21 VAL 7 12.338 2.222 7.367 54 HG22 VAL 7 HG22 VAL 7 11.574 3.324 8.516 55 HG23 VAL 7 HG23 VAL 7 11.784 3.811 6.831 56 H CYS 8 HN CYS 8 9.956 4.410 6.076 57 HA CYS 8 HA CYS 8 10.673 5.281 3.403 58 HB2 CYS 8 HB2 CYS 8 8.461 4.645 2.938 59 HB3 CYS 8 HB1 CYS 8 7.856 5.291 4.442 60 H VAL 9 HN VAL 9 11.046 7.377 3.214 61 HA VAL 9 HA VAL 9 9.785 9.276 5.027 62 HB VAL 9 HB VAL 9 12.022 10.619 4.731 63 HG11 VAL 9 HG11 VAL 9 11.852 8.277 6.630 64 HG12 VAL 9 HG12 VAL 9 11.181 9.887 6.907 65 HG13 VAL 9 HG13 VAL 9 12.929 9.664 6.811 66 HG21 VAL 9 HG21 VAL 9 13.064 9.094 3.182 67 HG22 VAL 9 HG22 VAL 9 12.882 7.757 4.321 68 HG23 VAL 9 HG23 VAL 9 13.997 9.085 4.688 69 H ASP 10 HN ASP 10 8.407 9.927 3.431 70 HA ASP 10 HA ASP 10 9.607 10.903 0.949 71 HB2 ASP 10 HB2 ASP 10 8.649 8.842 0.345 72 HB3 ASP 10 HB1 ASP 10 7.222 9.130 1.310 73 H THR 11 HN THR 11 8.455 12.575 -0.108 74 HA THR 11 HA THR 11 7.120 14.336 -0.427 75 HB THR 11 HB THR 11 5.500 12.260 0.923 76 HG1 THR 11 HG1 THR 11 5.610 11.636 -1.066 77 HG21 THR 11 HG21 THR 11 4.286 14.210 1.572 78 HG22 THR 11 HG22 THR 11 3.435 13.467 0.215 79 HG23 THR 11 HG23 THR 11 4.436 14.899 -0.047 80 H ARG 12 HN ARG 12 5.901 16.114 0.505 81 HA ARG 12 HA ARG 12 7.031 17.015 2.998 82 HB2 ARG 12 HB2 ARG 12 5.145 18.902 2.288 83 HB3 ARG 12 HB1 ARG 12 6.839 18.949 1.858 84 HG2 ARG 12 HG2 ARG 12 4.790 17.597 0.133 85 HG3 ARG 12 HG1 ARG 12 5.155 19.317 0.002 86 HD2 ARG 12 HD2 ARG 12 7.405 18.880 -0.635 87 HD3 ARG 12 HD1 ARG 12 7.267 17.173 -0.206 88 HE ARG 12 HE ARG 12 5.456 18.067 -2.283 89 HH11 ARG 12 HH11 ARG 12 8.609 16.701 -1.550 90 HH12 ARG 12 HH12 ARG 12 8.804 15.989 -3.123 91 HH21 ARG 12 HH21 ARG 12 5.712 17.098 -4.350 92 HH22 ARG 12 HH22 ARG 12 7.159 16.199 -4.704 93 H ASP 13 HN ASP 13 3.914 15.997 1.755 94 HA ASP 13 HA ASP 13 2.946 15.484 4.423 95 HB2 ASP 13 HB2 ASP 13 2.497 17.941 3.932 96 HB3 ASP 13 HB1 ASP 13 1.394 17.393 2.673 97 H ILE 14 HN ILE 14 2.733 13.361 3.787 98 HA ILE 14 HA ILE 14 1.496 12.527 1.361 99 HB ILE 14 HB ILE 14 2.073 11.012 3.920 100 HG12 ILE 14 HG12 ILE 14 3.574 10.097 1.711 101 HG13 ILE 14 HG11 ILE 14 3.657 11.856 1.687 102 HG21 ILE 14 HG21 ILE 14 1.824 8.967 2.482 103 HG22 ILE 14 HG22 ILE 14 1.025 10.004 1.291 104 HG23 ILE 14 HG23 ILE 14 0.318 9.798 2.895 105 HD11 ILE 14 HD11 ILE 14 4.361 10.073 3.994 106 HD12 ILE 14 HD12 ILE 14 4.427 11.841 3.997 107 HD13 ILE 14 HD13 ILE 14 5.491 10.917 2.933 108 HA PRO 15 HA PRO 15 -2.702 13.328 2.003 109 HB2 PRO 15 HB2 PRO 15 -3.083 10.597 0.851 110 HB3 PRO 15 HB1 PRO 15 -3.839 12.122 0.397 111 HG2 PRO 15 HG2 PRO 15 -1.932 11.199 -1.110 112 HG3 PRO 15 HG1 PRO 15 -1.891 12.912 -0.650 113 HD2 PRO 15 HD2 PRO 15 -0.374 10.614 0.501 114 HD3 PRO 15 HD1 PRO 15 0.224 12.208 0.058 115 H LYS 16 HN LYS 16 -4.346 12.970 3.407 116 HA LYS 16 HA LYS 16 -4.261 11.274 5.583 117 HB2 LYS 16 HB2 LYS 16 -5.775 13.184 5.354 118 HB3 LYS 16 HB1 LYS 16 -6.627 12.364 4.060 119 HG2 LYS 16 HG2 LYS 16 -7.989 12.107 5.905 120 HG3 LYS 16 HG1 LYS 16 -7.139 10.569 5.769 121 HD2 LYS 16 HD2 LYS 16 -5.571 11.272 7.500 122 HD3 LYS 16 HD1 LYS 16 -6.404 12.824 7.627 123 HE2 LYS 16 HE2 LYS 16 -7.566 10.104 8.222 124 HE3 LYS 16 HE1 LYS 16 -7.129 11.338 9.403 125 HZ1 LYS 16 HZ1 LYS 16 -8.855 12.748 8.614 126 HZ2 LYS 16 HZ2 LYS 16 -9.539 11.217 8.870 127 HZ3 LYS 16 HZ3 LYS 16 -9.182 11.731 7.296 128 H ASN 17 HN ASN 17 -5.019 9.218 5.947 129 HA ASN 17 HA ASN 17 -5.597 7.047 5.557 130 HB2 ASN 17 HB2 ASN 17 -6.824 7.906 2.936 131 HB3 ASN 17 HB1 ASN 17 -7.184 6.459 3.865 132 HD21 ASN 17 HD21 ASN 17 -7.620 9.823 3.537 133 HD22 ASN 17 HD22 ASN 17 -8.941 9.992 4.662 134 H ALA 18 HN ALA 18 -3.443 8.694 3.813 135 HA ALA 18 HA ALA 18 -2.657 6.438 2.119 136 HB1 ALA 18 HB1 ALA 18 -1.189 7.973 0.954 137 HB2 ALA 18 HB2 ALA 18 -1.582 9.264 2.096 138 HB3 ALA 18 HB3 ALA 18 -2.826 8.630 1.016 139 H GLY 19 HN GLY 19 -0.324 6.065 1.924 140 HA2 GLY 19 HA2 GLY 19 1.260 6.679 4.310 141 HA3 GLY 19 HA1 GLY 19 1.013 4.982 3.894 142 H CYS 20 HN CYS 20 3.557 6.308 3.962 143 HA CYS 20 HA CYS 20 4.139 6.700 1.115 144 HB2 CYS 20 HB2 CYS 20 5.708 8.301 1.650 145 HB3 CYS 20 HB1 CYS 20 4.493 8.574 2.883 146 H PHE 21 HN PHE 21 5.935 5.753 0.216 147 HA PHE 21 HA PHE 21 7.553 4.065 1.981 148 HB2 PHE 21 HB2 PHE 21 6.266 2.506 0.800 149 HB3 PHE 21 HB1 PHE 21 6.512 3.335 -0.727 150 HD1 PHE 21 HD1 PHE 21 8.437 1.873 1.963 151 HD2 PHE 21 HD2 PHE 21 8.143 2.422 -2.186 152 HE1 PHE 21 HE1 PHE 21 10.393 0.442 1.665 153 HE2 PHE 21 HE2 PHE 21 10.115 0.991 -2.517 154 HZ PHE 21 HZ PHE 21 11.243 -0.015 -0.545 155 H ARG 22 HN ARG 22 9.678 4.080 1.691 156 HA ARG 22 HA ARG 22 10.783 5.316 -0.699 157 HB2 ARG 22 HB2 ARG 22 10.775 7.195 0.801 158 HB3 ARG 22 HB1 ARG 22 11.452 6.229 2.103 159 HG2 ARG 22 HG2 ARG 22 13.122 6.126 -0.243 160 HG3 ARG 22 HG1 ARG 22 12.853 7.788 0.277 161 HD2 ARG 22 HD2 ARG 22 13.972 7.501 2.216 162 HD3 ARG 22 HD1 ARG 22 13.452 5.830 2.376 163 HE ARG 22 HE ARG 22 15.145 5.221 0.759 164 HH11 ARG 22 HH11 ARG 22 15.389 8.471 2.037 165 HH12 ARG 22 HH12 ARG 22 17.118 8.544 1.881 166 HH21 ARG 22 HH21 ARG 22 17.426 5.307 0.545 167 HH22 ARG 22 HH22 ARG 22 18.287 6.732 1.056 168 H ASP 23 HN ASP 23 12.119 3.844 -1.496 169 HA ASP 23 HA ASP 23 12.698 1.627 0.223 170 HB2 ASP 23 HB2 ASP 23 13.077 0.364 -1.630 171 HB3 ASP 23 HB1 ASP 23 11.995 1.592 -2.283 172 H ASP 24 HN ASP 24 15.018 0.566 -0.532 173 HA ASP 24 HA ASP 24 16.956 1.945 0.939 174 HB2 ASP 24 HB2 ASP 24 16.953 -0.493 0.585 175 HB3 ASP 24 HB1 ASP 24 17.325 -0.232 -1.111 176 H ASP 25 HN ASP 25 16.305 1.753 -2.517 177 HA ASP 25 HA ASP 25 18.697 2.981 -3.419 178 HB2 ASP 25 HB2 ASP 25 17.146 1.608 -4.827 179 HB3 ASP 25 HB1 ASP 25 15.993 2.938 -4.787 180 H GLY 26 HN GLY 26 15.699 4.226 -2.183 181 HA2 GLY 26 HA2 GLY 26 15.709 6.513 -1.315 182 HA3 GLY 26 HA1 GLY 26 16.652 6.965 -2.732 183 H THR 27 HN THR 27 14.342 4.692 -3.512 184 HA THR 27 HA THR 27 12.809 6.532 -5.072 185 HB THR 27 HB THR 27 12.216 3.649 -4.395 186 HG1 THR 27 HG1 THR 27 14.168 3.556 -5.350 187 HG21 THR 27 HG21 THR 27 11.363 5.376 -6.727 188 HG22 THR 27 HG22 THR 27 10.326 4.800 -5.418 189 HG23 THR 27 HG23 THR 27 11.029 3.653 -6.560 190 H GLU 28 HN GLU 28 11.179 7.731 -4.342 191 HA GLU 28 HA GLU 28 9.828 6.890 -1.863 192 HB2 GLU 28 HB2 GLU 28 10.461 9.637 -2.940 193 HB3 GLU 28 HB1 GLU 28 9.380 9.361 -1.583 194 HG2 GLU 28 HG2 GLU 28 11.090 8.687 -0.176 195 HG3 GLU 28 HG1 GLU 28 12.160 8.270 -1.517 196 H GLU 29 HN GLU 29 7.806 6.357 -2.011 197 HA GLU 29 HA GLU 29 6.041 7.741 -3.889 198 HB2 GLU 29 HB2 GLU 29 6.683 5.919 -5.267 199 HB3 GLU 29 HB1 GLU 29 6.615 4.791 -3.924 200 HG2 GLU 29 HG2 GLU 29 4.169 5.079 -3.845 201 HG3 GLU 29 HG1 GLU 29 4.267 6.127 -5.257 202 H TRP 30 HN TRP 30 4.177 8.176 -2.845 203 HA TRP 30 HA TRP 30 3.509 6.481 -0.562 204 HB2 TRP 30 HB2 TRP 30 1.935 8.228 0.104 205 HB3 TRP 30 HB1 TRP 30 3.556 8.875 -0.086 206 HD1 TRP 30 HD TRP 30 3.834 10.899 -1.677 207 HE1 TRP 30 HE1 TRP 30 2.218 12.242 -3.169 208 HE3 TRP 30 HE3 TRP 30 -0.202 7.775 -1.496 209 HZ2 TRP 30 HZ2 TRP 30 -0.422 12.000 -4.134 210 HZ3 TRP 30 HZ3 TRP 30 -2.243 8.415 -2.741 211 HH2 TRP 30 HH TRP 30 -2.334 10.482 -4.039 212 H ARG 31 HN ARG 31 1.353 5.738 -0.320 213 HA ARG 31 HA ARG 31 -0.243 5.542 -2.765 214 HB2 ARG 31 HB2 ARG 31 0.662 3.163 -1.150 215 HB3 ARG 31 HB1 ARG 31 -0.583 3.110 -2.385 216 HG2 ARG 31 HG2 ARG 31 1.198 3.969 -3.985 217 HG3 ARG 31 HG1 ARG 31 2.349 3.574 -2.711 218 HD2 ARG 31 HD2 ARG 31 1.376 1.254 -2.690 219 HD3 ARG 31 HD1 ARG 31 0.495 1.692 -4.155 220 HE ARG 31 HE ARG 31 3.317 2.209 -4.336 221 HH11 ARG 31 HH11 ARG 31 0.962 -0.383 -4.525 222 HH12 ARG 31 HH12 ARG 31 1.861 -1.270 -5.710 223 HH21 ARG 31 HH21 ARG 31 4.484 1.057 -5.889 224 HH22 ARG 31 HH22 ARG 31 3.873 -0.457 -6.489 225 H CYS 32 HN CYS 32 -2.225 4.023 -2.043 226 HA CYS 32 HA CYS 32 -3.347 5.438 0.283 227 HB2 CYS 32 HB2 CYS 32 -4.746 4.217 -2.121 228 HB3 CYS 32 HB1 CYS 32 -5.541 5.082 -0.812 229 H LEU 33 HN LEU 33 -3.917 4.233 1.958 230 HA LEU 33 HA LEU 33 -3.130 1.640 2.294 231 HB2 LEU 33 HB2 LEU 33 -5.225 3.291 3.632 232 HB3 LEU 33 HB1 LEU 33 -4.829 1.690 4.200 233 HG LEU 33 HG LEU 33 -3.750 3.955 5.157 234 HD11 LEU 33 HD11 LEU 33 -2.036 2.550 6.160 235 HD12 LEU 33 HD12 LEU 33 -2.323 1.310 4.940 236 HD13 LEU 33 HD13 LEU 33 -3.583 1.705 6.112 237 HD21 LEU 33 HD21 LEU 33 -1.325 3.906 4.392 238 HD22 LEU 33 HD22 LEU 33 -2.494 4.716 3.344 239 HD23 LEU 33 HD23 LEU 33 -1.924 3.084 2.951 240 H LEU 34 HN LEU 34 -4.406 -0.242 2.747 241 HA LEU 34 HA LEU 34 -5.660 -1.042 0.428 242 HB2 LEU 34 HB2 LEU 34 -5.659 -2.382 3.123 243 HB3 LEU 34 HB1 LEU 34 -5.934 -3.159 1.570 244 HG LEU 34 HG LEU 34 -3.370 -1.822 2.426 245 HD11 LEU 34 HD11 LEU 34 -2.451 -4.089 2.415 246 HD12 LEU 34 HD12 LEU 34 -4.066 -4.734 2.105 247 HD13 LEU 34 HD13 LEU 34 -3.723 -3.893 3.623 248 HD21 LEU 34 HD21 LEU 34 -3.825 -1.637 0.031 249 HD22 LEU 34 HD22 LEU 34 -4.011 -3.388 -0.061 250 HD23 LEU 34 HD23 LEU 34 -2.450 -2.690 0.367 251 H GLY 35 HN GLY 35 -7.706 -1.461 -0.108 252 HA2 GLY 35 HA2 GLY 35 -10.013 -1.501 0.040 253 HA3 GLY 35 HA1 GLY 35 -9.878 -1.182 1.762 254 H TYR 36 HN TYR 36 -7.987 1.071 0.361 255 HA TYR 36 HA TYR 36 -10.159 3.041 0.333 256 HB2 TYR 36 HB2 TYR 36 -7.169 3.452 0.519 257 HB3 TYR 36 HB1 TYR 36 -8.381 4.726 0.535 258 HD1 TYR 36 HD1 TYR 36 -6.756 5.015 2.667 259 HD2 TYR 36 HD2 TYR 36 -9.838 2.122 2.288 260 HE1 TYR 36 HE1 TYR 36 -6.883 4.819 5.118 261 HE2 TYR 36 HE2 TYR 36 -9.975 1.924 4.725 262 HH TYR 36 HH TYR 36 -8.913 2.405 6.673 263 H LYS 37 HN LYS 37 -9.195 5.007 -1.157 264 HA LYS 37 HA LYS 37 -8.330 3.934 -3.709 265 HB2 LYS 37 HB2 LYS 37 -10.258 4.859 -4.882 266 HB3 LYS 37 HB1 LYS 37 -10.762 3.643 -3.732 267 HG2 LYS 37 HG2 LYS 37 -11.372 5.423 -2.157 268 HG3 LYS 37 HG1 LYS 37 -10.927 6.622 -3.374 269 HD2 LYS 37 HD2 LYS 37 -12.605 5.544 -4.897 270 HD3 LYS 37 HD1 LYS 37 -13.129 4.584 -3.513 271 HE2 LYS 37 HE2 LYS 37 -13.688 6.585 -2.284 272 HE3 LYS 37 HE1 LYS 37 -13.085 7.597 -3.595 273 HZ1 LYS 37 HZ1 LYS 37 -14.820 6.728 -5.024 274 HZ2 LYS 37 HZ2 LYS 37 -15.493 7.418 -3.628 275 HZ3 LYS 37 HZ3 LYS 37 -15.395 5.733 -3.775 276 H LYS 38 HN LYS 38 -8.183 5.773 -5.299 277 HA LYS 38 HA LYS 38 -6.953 8.056 -3.985 278 HB2 LYS 38 HB2 LYS 38 -5.950 6.788 -5.996 279 HB3 LYS 38 HB1 LYS 38 -7.175 7.612 -6.956 280 HG2 LYS 38 HG2 LYS 38 -5.159 8.863 -7.116 281 HG3 LYS 38 HG1 LYS 38 -6.282 9.777 -6.106 282 HD2 LYS 38 HD2 LYS 38 -4.355 9.935 -4.865 283 HD3 LYS 38 HD1 LYS 38 -5.100 8.494 -4.155 284 HE2 LYS 38 HE2 LYS 38 -2.692 8.215 -4.601 285 HE3 LYS 38 HE1 LYS 38 -3.686 7.063 -5.493 286 HZ1 LYS 38 HZ1 LYS 38 -2.559 9.573 -6.621 287 HZ2 LYS 38 HZ2 LYS 38 -3.433 8.398 -7.471 288 HZ3 LYS 38 HZ3 LYS 38 -1.902 8.025 -6.849 289 H GLY 39 HN GLY 39 -7.872 9.987 -3.817 290 HA2 GLY 39 HA2 GLY 39 -10.615 10.225 -4.751 291 HA3 GLY 39 HA1 GLY 39 -9.803 11.277 -3.601 292 H GLU 40 HN GLU 40 -8.525 12.979 -4.354 293 HA GLU 40 HA GLU 40 -9.281 13.806 -7.061 294 HB2 GLU 40 HB2 GLU 40 -8.838 16.083 -6.294 295 HB3 GLU 40 HB1 GLU 40 -9.984 15.261 -5.247 296 HG2 GLU 40 HG2 GLU 40 -8.146 14.811 -3.652 297 HG3 GLU 40 HG1 GLU 40 -7.074 15.761 -4.684 298 H GLY 41 HN GLY 41 -7.348 12.047 -7.279 299 HA2 GLY 41 HA2 GLY 41 -5.447 11.974 -8.638 300 HA3 GLY 41 HA1 GLY 41 -5.175 13.676 -8.305 301 H ASN 42 HN ASN 42 -4.688 14.052 -5.844 302 HA ASN 42 HA ASN 42 -2.722 12.014 -5.047 303 HB2 ASN 42 HB2 ASN 42 -1.258 13.797 -4.227 304 HB3 ASN 42 HB1 ASN 42 -1.589 14.001 -5.940 305 HD21 ASN 42 HD21 ASN 42 -0.731 15.911 -3.884 306 HD22 ASN 42 HD22 ASN 42 -1.889 17.197 -3.915 307 H THR 43 HN THR 43 -5.253 11.829 -4.111 308 HA THR 43 HA THR 43 -4.740 12.252 -1.277 309 HB THR 43 HB THR 43 -7.200 12.668 -0.913 310 HG1 THR 43 HG1 THR 43 -8.402 13.422 -2.618 311 HG21 THR 43 HG21 THR 43 -7.000 15.084 -1.330 312 HG22 THR 43 HG22 THR 43 -5.569 14.773 -2.319 313 HG23 THR 43 HG23 THR 43 -5.549 14.396 -0.594 314 H CYS 44 HN CYS 44 -5.553 10.683 0.035 315 HA CYS 44 HA CYS 44 -6.710 8.389 -1.378 316 HB2 CYS 44 HB2 CYS 44 -5.042 8.423 1.142 317 HB3 CYS 44 HB1 CYS 44 -5.715 6.981 0.373 318 H VAL 45 HN VAL 45 -8.556 7.567 -0.711 319 HA VAL 45 HA VAL 45 -9.803 8.659 1.701 320 HB VAL 45 HB VAL 45 -11.951 8.915 0.438 321 HG11 VAL 45 HG11 VAL 45 -9.695 10.676 -0.549 322 HG12 VAL 45 HG12 VAL 45 -10.532 10.860 0.994 323 HG13 VAL 45 HG13 VAL 45 -11.409 11.092 -0.518 324 HG21 VAL 45 HG21 VAL 45 -11.382 7.513 -1.493 325 HG22 VAL 45 HG22 VAL 45 -10.156 8.684 -1.986 326 HG23 VAL 45 HG23 VAL 45 -11.863 9.134 -1.998 327 H GLU 46 HN GLU 46 -11.314 7.381 2.631 328 HA GLU 46 HA GLU 46 -10.966 4.617 2.380 329 HB2 GLU 46 HB2 GLU 46 -13.002 6.349 3.744 330 HB3 GLU 46 HB1 GLU 46 -13.084 4.593 3.841 331 HG2 GLU 46 HG2 GLU 46 -11.055 4.459 5.015 332 HG3 GLU 46 HG1 GLU 46 -10.631 6.131 4.636 333 H ASN 47 HN ASN 47 -11.529 3.551 0.602 334 HA ASN 47 HA ASN 47 -13.677 4.355 -1.087 335 HB2 ASN 47 HB2 ASN 47 -11.702 3.330 -2.038 336 HB3 ASN 47 HB1 ASN 47 -11.936 1.881 -1.073 337 HD21 ASN 47 HD21 ASN 47 -11.749 0.834 -3.110 338 HD22 ASN 47 HD22 ASN 47 -13.143 0.636 -4.113 339 H ASN 48 HN ASN 48 -13.137 1.551 1.013 340 HA ASN 48 HA ASN 48 -14.511 0.243 2.222 341 HB2 ASN 48 HB2 ASN 48 -16.120 2.694 1.972 342 HB3 ASN 48 HB1 ASN 48 -17.014 1.232 2.395 343 HD21 ASN 48 HD21 ASN 48 -14.548 3.458 3.375 344 HD22 ASN 48 HD22 ASN 48 -14.414 2.910 5.008 345 H ASN 49 HN ASN 49 -15.275 0.990 -0.979 346 HA ASN 49 HA ASN 49 -16.556 -1.659 -1.165 347 HB2 ASN 49 HB2 ASN 49 -18.001 0.264 -1.849 348 HB3 ASN 49 HB1 ASN 49 -16.809 0.651 -3.080 349 HD21 ASN 49 HD21 ASN 49 -18.331 0.378 -4.718 350 HD22 ASN 49 HD22 ASN 49 -18.865 -1.186 -5.219 351 HA PRO 50 HA PRO 50 -12.343 -1.222 -3.381 352 HB2 PRO 50 HB2 PRO 50 -10.970 -3.045 -1.907 353 HB3 PRO 50 HB1 PRO 50 -10.969 -1.317 -1.592 354 HG2 PRO 50 HG2 PRO 50 -12.486 -3.482 -0.235 355 HG3 PRO 50 HG1 PRO 50 -11.770 -2.015 0.438 356 HD2 PRO 50 HD2 PRO 50 -14.410 -2.308 -0.064 357 HD3 PRO 50 HD1 PRO 50 -13.586 -0.747 -0.085 358 H THR 51 HN THR 51 -11.944 -2.420 -5.082 359 HA THR 51 HA THR 51 -12.839 -5.218 -5.099 360 HB THR 51 HB THR 51 -14.202 -3.777 -6.580 361 HG1 THR 51 HG1 THR 51 -13.719 -5.040 -8.567 362 HG21 THR 51 HG21 THR 51 -13.177 -2.836 -8.623 363 HG22 THR 51 HG22 THR 51 -11.579 -3.281 -8.010 364 HG23 THR 51 HG23 THR 51 -12.557 -2.083 -7.153 365 H CYS 52 HN CYS 52 -11.462 -6.724 -6.116 366 HA CYS 52 HA CYS 52 -8.720 -5.849 -6.538 367 HB2 CYS 52 HB2 CYS 52 -9.512 -8.111 -5.490 368 HB3 CYS 52 HB1 CYS 52 -9.813 -8.591 -7.157 369 H ASP 53 HN ASP 53 -7.864 -5.535 -8.555 370 HA ASP 53 HA ASP 53 -8.526 -5.983 -11.081 371 HB2 ASP 53 HB2 ASP 53 -10.945 -5.608 -10.522 372 HB3 ASP 53 HB1 ASP 53 -10.553 -3.954 -10.085 373 H ILE 54 HN ILE 54 -8.744 -3.185 -8.918 374 HA ILE 54 HA ILE 54 -7.802 -1.307 -10.784 375 HB ILE 54 HB ILE 54 -7.865 -1.156 -7.774 376 HG12 ILE 54 HG12 ILE 54 -9.855 -0.077 -9.776 377 HG13 ILE 54 HG11 ILE 54 -10.042 -1.627 -8.955 378 HG21 ILE 54 HG21 ILE 54 -7.951 1.324 -8.171 379 HG22 ILE 54 HG22 ILE 54 -7.485 0.998 -9.843 380 HG23 ILE 54 HG23 ILE 54 -6.401 0.548 -8.517 381 HD11 ILE 54 HD11 ILE 54 -9.931 1.089 -7.657 382 HD12 ILE 54 HD12 ILE 54 -10.069 -0.447 -6.799 383 HD13 ILE 54 HD13 ILE 54 -11.362 0.081 -7.875 384 H ASN 55 HN ASN 55 -6.128 -1.410 -7.784 385 HA ASN 55 HA ASN 55 -3.652 -2.065 -9.184 386 HB2 ASN 55 HB2 ASN 55 -3.760 0.178 -8.081 387 HB3 ASN 55 HB1 ASN 55 -3.938 -0.643 -6.546 388 HD21 ASN 55 HD21 ASN 55 -1.988 0.235 -5.790 389 HD22 ASN 55 HD22 ASN 55 -0.468 -0.345 -6.359 390 H ASN 56 HN ASN 56 -5.127 -4.123 -8.807 391 HA ASN 56 HA ASN 56 -5.218 -6.211 -7.847 392 HB2 ASN 56 HB2 ASN 56 -3.052 -5.585 -5.864 393 HB3 ASN 56 HB1 ASN 56 -3.329 -7.069 -6.761 394 HD21 ASN 56 HD21 ASN 56 -1.089 -5.087 -6.271 395 HD22 ASN 56 HD22 ASN 56 -0.407 -4.889 -7.833 396 H GLY 57 HN GLY 57 -6.643 -3.871 -6.837 397 HA2 GLY 57 HA2 GLY 57 -8.307 -3.765 -5.186 398 HA3 GLY 57 HA1 GLY 57 -7.412 -4.956 -4.252 399 H GLY 58 HN GLY 58 -5.112 -2.873 -5.182 400 HA2 GLY 58 HA2 GLY 58 -4.678 -0.645 -4.202 401 HA3 GLY 58 HA1 GLY 58 -5.453 -1.249 -2.740 402 H CYS 59 HN CYS 59 -3.630 -3.493 -4.428 403 HA CYS 59 HA CYS 59 -1.577 -3.572 -2.342 404 HB2 CYS 59 HB2 CYS 59 -2.227 -5.738 -4.334 405 HB3 CYS 59 HB1 CYS 59 -1.396 -5.893 -2.788 406 H ASP 60 HN ASP 60 0.356 -4.833 -3.250 407 HA ASP 60 HA ASP 60 1.333 -3.510 -5.685 408 HB2 ASP 60 HB2 ASP 60 2.595 -3.570 -3.449 409 HB3 ASP 60 HB1 ASP 60 2.809 -5.286 -3.732 410 HA PRO 61 HA PRO 61 0.454 -7.103 -8.013 411 HB2 PRO 61 HB2 PRO 61 3.103 -6.837 -9.306 412 HB3 PRO 61 HB1 PRO 61 1.496 -6.807 -10.026 413 HG2 PRO 61 HG2 PRO 61 3.023 -4.604 -9.741 414 HG3 PRO 61 HG1 PRO 61 1.252 -4.565 -9.700 415 HD2 PRO 61 HD2 PRO 61 3.199 -4.298 -7.484 416 HD3 PRO 61 HD1 PRO 61 1.565 -3.647 -7.649 417 H THR 62 HN THR 62 3.340 -6.825 -6.164 418 HA THR 62 HA THR 62 3.993 -9.647 -6.339 419 HB THR 62 HB THR 62 5.869 -9.116 -4.900 420 HG1 THR 62 HG1 THR 62 5.056 -6.405 -4.726 421 HG21 THR 62 HG21 THR 62 6.127 -8.509 -7.237 422 HG22 THR 62 HG22 THR 62 6.922 -7.295 -6.233 423 HG23 THR 62 HG23 THR 62 5.340 -6.954 -6.950 424 H ALA 63 HN ALA 63 2.070 -7.519 -4.515 425 HA ALA 63 HA ALA 63 1.672 -9.370 -2.307 426 HB1 ALA 63 HB1 ALA 63 0.394 -6.708 -2.979 427 HB2 ALA 63 HB2 ALA 63 1.660 -7.007 -1.778 428 HB3 ALA 63 HB3 ALA 63 0.038 -7.666 -1.533 429 H SER 64 HN SER 64 0.663 -11.146 -3.018 430 HA SER 64 HA SER 64 -1.192 -11.418 -5.068 431 HB2 SER 64 HB2 SER 64 0.038 -13.243 -3.816 432 HB3 SER 64 HB1 SER 64 -1.134 -13.049 -2.519 433 HG SER 64 HG SER 64 -2.470 -13.319 -4.815 434 H CYS 65 HN CYS 65 -3.180 -10.617 -5.282 435 HA CYS 65 HA CYS 65 -4.460 -9.422 -2.965 436 HB2 CYS 65 HB2 CYS 65 -4.453 -7.935 -4.776 437 HB3 CYS 65 HB1 CYS 65 -4.888 -9.203 -5.915 438 H GLN 66 HN GLN 66 -6.213 -10.023 -2.064 439 HA GLN 66 HA GLN 66 -8.041 -11.886 -3.377 440 HB2 GLN 66 HB2 GLN 66 -8.085 -12.220 -0.506 441 HB3 GLN 66 HB1 GLN 66 -7.881 -13.444 -1.755 442 HG2 GLN 66 HG2 GLN 66 -5.581 -11.723 -1.194 443 HG3 GLN 66 HG1 GLN 66 -6.028 -12.857 0.072 444 HE21 GLN 66 HE21 GLN 66 -3.685 -12.718 -1.675 445 HE22 GLN 66 HE22 GLN 66 -3.590 -14.254 -2.474 446 H ASN 67 HN ASN 67 -10.018 -10.845 -3.496 447 HA ASN 67 HA ASN 67 -10.373 -8.578 -1.717 448 HB2 ASN 67 HB2 ASN 67 -12.484 -8.156 -3.022 449 HB3 ASN 67 HB1 ASN 67 -10.979 -7.984 -3.888 450 HD21 ASN 67 HD21 ASN 67 -13.725 -8.462 -4.770 451 HD22 ASN 67 HD22 ASN 67 -13.643 -9.884 -5.756 452 H ALA 68 HN ALA 68 -11.729 -8.368 -0.196 453 HA ALA 68 HA ALA 68 -13.605 -10.497 0.489 454 HB1 ALA 68 HB1 ALA 68 -12.649 -10.637 2.775 455 HB2 ALA 68 HB2 ALA 68 -11.296 -9.640 2.224 456 HB3 ALA 68 HB3 ALA 68 -11.560 -11.240 1.521 457 H GLU 69 HN GLU 69 -14.790 -9.854 2.534 458 HA GLU 69 HA GLU 69 -15.045 -6.940 2.686 459 HB2 GLU 69 HB2 GLU 69 -17.271 -8.950 2.841 460 HB3 GLU 69 HB1 GLU 69 -17.446 -7.209 3.015 461 HG2 GLU 69 HG2 GLU 69 -16.863 -6.818 0.772 462 HG3 GLU 69 HG1 GLU 69 -16.290 -8.470 0.554 463 H SER 70 HN SER 70 -13.879 -6.701 4.431 464 HA SER 70 HA SER 70 -14.569 -8.172 6.874 465 HB2 SER 70 HB2 SER 70 -12.174 -8.125 6.021 466 HB3 SER 70 HB1 SER 70 -12.149 -6.411 6.412 467 HG SER 70 HG SER 70 -11.675 -8.442 8.025 468 H THR 71 HN THR 71 -14.402 -6.821 8.921 469 HA THR 71 HA THR 71 -16.139 -4.612 8.824 470 HB THR 71 HB THR 71 -15.911 -5.850 10.883 471 HG1 THR 71 HG1 THR 71 -16.180 -4.105 12.026 472 HG21 THR 71 HG21 THR 71 -13.589 -6.567 10.645 473 HG22 THR 71 HG22 THR 71 -13.860 -5.827 12.222 474 HG23 THR 71 HG23 THR 71 -13.038 -4.919 10.953 475 H GLU 72 HN GLU 72 -12.664 -4.904 8.678 476 HA GLU 72 HA GLU 72 -12.302 -2.021 8.665 477 HB2 GLU 72 HB2 GLU 72 -10.385 -4.322 8.440 478 HB3 GLU 72 HB1 GLU 72 -9.891 -2.643 8.315 479 HG2 GLU 72 HG2 GLU 72 -11.341 -3.740 10.698 480 HG3 GLU 72 HG1 GLU 72 -9.580 -3.759 10.553 481 H ASN 73 HN ASN 73 -12.387 -0.873 6.841 482 HA ASN 73 HA ASN 73 -12.676 -1.912 4.258 483 HB2 ASN 73 HB2 ASN 73 -11.366 0.500 3.852 484 HB3 ASN 73 HB1 ASN 73 -13.109 0.281 3.945 485 HD21 ASN 73 HD21 ASN 73 -14.188 0.964 5.763 486 HD22 ASN 73 HD22 ASN 73 -13.437 1.888 7.021 487 H SER 74 HN SER 74 -9.833 -1.177 6.150 488 HA SER 74 HA SER 74 -8.014 -1.515 3.991 489 HB2 SER 74 HB2 SER 74 -7.685 -0.227 6.237 490 HB3 SER 74 HB1 SER 74 -7.208 -1.803 6.872 491 HG SER 74 HG SER 74 -5.335 -1.520 5.956 492 H LYS 75 HN LYS 75 -9.561 -3.661 6.243 493 HA LYS 75 HA LYS 75 -7.699 -5.812 5.595 494 HB2 LYS 75 HB2 LYS 75 -10.055 -5.793 7.488 495 HB3 LYS 75 HB1 LYS 75 -8.966 -7.144 7.239 496 HG2 LYS 75 HG2 LYS 75 -8.318 -4.485 8.469 497 HG3 LYS 75 HG1 LYS 75 -8.361 -6.056 9.265 498 HD2 LYS 75 HD2 LYS 75 -6.122 -5.935 8.937 499 HD3 LYS 75 HD1 LYS 75 -6.560 -6.590 7.360 500 HE2 LYS 75 HE2 LYS 75 -6.699 -4.272 6.494 501 HE3 LYS 75 HE1 LYS 75 -6.099 -3.694 8.049 502 HZ1 LYS 75 HZ1 LYS 75 -4.276 -3.809 6.571 503 HZ2 LYS 75 HZ2 LYS 75 -4.669 -5.386 6.076 504 HZ3 LYS 75 HZ3 LYS 75 -4.093 -5.108 7.651 505 H LYS 76 HN LYS 76 -10.103 -4.476 4.000 506 HA LYS 76 HA LYS 76 -11.712 -6.743 3.362 507 HB2 LYS 76 HB2 LYS 76 -11.373 -4.124 1.946 508 HB3 LYS 76 HB1 LYS 76 -12.514 -5.371 1.469 509 HG2 LYS 76 HG2 LYS 76 -13.565 -5.165 3.720 510 HG3 LYS 76 HG1 LYS 76 -12.506 -3.780 4.014 511 HD2 LYS 76 HD2 LYS 76 -13.405 -2.867 1.805 512 HD3 LYS 76 HD1 LYS 76 -14.654 -4.090 1.960 513 HE2 LYS 76 HE2 LYS 76 -14.075 -1.897 3.933 514 HE3 LYS 76 HE1 LYS 76 -15.399 -1.934 2.781 515 HZ1 LYS 76 HZ1 LYS 76 -16.065 -2.605 5.044 516 HZ2 LYS 76 HZ2 LYS 76 -15.026 -3.939 4.943 517 HZ3 LYS 76 HZ3 LYS 76 -16.349 -3.812 3.890 518 H ILE 77 HN ILE 77 -9.177 -4.960 1.698 519 HA ILE 77 HA ILE 77 -8.915 -7.119 -0.234 520 HB ILE 77 HB ILE 77 -7.534 -4.440 -0.088 521 HG12 ILE 77 HG12 ILE 77 -9.920 -4.309 -0.675 522 HG13 ILE 77 HG11 ILE 77 -8.896 -3.866 -2.039 523 HG21 ILE 77 HG21 ILE 77 -6.080 -6.070 -1.133 524 HG22 ILE 77 HG22 ILE 77 -6.688 -4.920 -2.328 525 HG23 ILE 77 HG23 ILE 77 -7.380 -6.541 -2.229 526 HD11 ILE 77 HD11 ILE 77 -10.207 -6.544 -1.644 527 HD12 ILE 77 HD12 ILE 77 -9.233 -6.053 -3.029 528 HD13 ILE 77 HD13 ILE 77 -10.782 -5.263 -2.716 529 H ILE 78 HN ILE 78 -7.618 -8.696 0.171 530 HA ILE 78 HA ILE 78 -5.609 -8.427 2.261 531 HB ILE 78 HB ILE 78 -6.513 -10.896 0.769 532 HG12 ILE 78 HG12 ILE 78 -7.390 -11.492 3.116 533 HG13 ILE 78 HG11 ILE 78 -7.211 -9.781 3.485 534 HG21 ILE 78 HG21 ILE 78 -4.659 -10.618 3.124 535 HG22 ILE 78 HG22 ILE 78 -4.208 -11.084 1.485 536 HG23 ILE 78 HG23 ILE 78 -5.239 -12.141 2.449 537 HD11 ILE 78 HD11 ILE 78 -9.500 -10.411 2.840 538 HD12 ILE 78 HD12 ILE 78 -8.893 -10.884 1.252 539 HD13 ILE 78 HD13 ILE 78 -8.791 -9.201 1.770 540 H CYS 79 HN CYS 79 -3.764 -7.611 1.599 541 HA CYS 79 HA CYS 79 -2.666 -8.436 -0.986 542 HB2 CYS 79 HB2 CYS 79 -1.664 -6.245 0.832 543 HB3 CYS 79 HB1 CYS 79 -1.314 -6.468 -0.879 544 H THR 80 HN THR 80 -1.342 -10.098 -0.902 545 HA THR 80 HA THR 80 0.190 -10.567 1.568 546 HB THR 80 HB THR 80 -0.825 -12.544 -0.481 547 HG1 THR 80 HG1 THR 80 -2.214 -11.606 1.298 548 HG21 THR 80 HG21 THR 80 1.363 -13.245 0.292 549 HG22 THR 80 HG22 THR 80 0.120 -14.275 1.006 550 HG23 THR 80 HG23 THR 80 0.874 -13.006 1.971 551 H CYS 81 HN CYS 81 2.247 -9.960 1.309 552 HA CYS 81 HA CYS 81 3.430 -9.882 -1.316 553 HB2 CYS 81 HB2 CYS 81 4.880 -9.445 1.300 554 HB3 CYS 81 HB1 CYS 81 5.271 -8.790 -0.284 555 H LYS 82 HN LYS 82 5.258 -11.149 -1.941 556 HA LYS 82 HA LYS 82 4.737 -13.870 -1.244 557 HB2 LYS 82 HB2 LYS 82 6.705 -12.708 -3.197 558 HB3 LYS 82 HB1 LYS 82 6.306 -14.412 -3.056 559 HG2 LYS 82 HG2 LYS 82 4.522 -12.163 -3.919 560 HG3 LYS 82 HG1 LYS 82 5.103 -13.516 -4.891 561 HD2 LYS 82 HD2 LYS 82 3.836 -15.057 -3.464 562 HD3 LYS 82 HD1 LYS 82 3.238 -13.682 -2.530 563 HE2 LYS 82 HE2 LYS 82 1.527 -14.139 -4.045 564 HE3 LYS 82 HE1 LYS 82 2.398 -12.772 -4.750 565 HZ1 LYS 82 HZ1 LYS 82 2.675 -15.628 -5.523 566 HZ2 LYS 82 HZ2 LYS 82 3.607 -14.359 -6.158 567 HZ3 LYS 82 HZ3 LYS 82 1.936 -14.405 -6.441 568 H GLU 83 HN GLU 83 6.863 -15.335 -1.417 569 HA GLU 83 HA GLU 83 8.021 -15.233 1.100 570 HB2 GLU 83 HB2 GLU 83 9.006 -16.685 -1.344 571 HB3 GLU 83 HB1 GLU 83 9.508 -17.019 0.306 572 HG2 GLU 83 HG2 GLU 83 7.139 -17.511 0.843 573 HG3 GLU 83 HG1 GLU 83 6.759 -17.330 -0.864 574 HA PRO 84 HA PRO 84 12.036 -13.397 -0.696 575 HB2 PRO 84 HB2 PRO 84 12.113 -12.199 -3.061 576 HB3 PRO 84 HB1 PRO 84 12.213 -13.960 -2.942 577 HG2 PRO 84 HG2 PRO 84 9.886 -12.243 -3.678 578 HG3 PRO 84 HG1 PRO 84 10.395 -13.792 -4.372 579 HD2 PRO 84 HD2 PRO 84 8.391 -13.479 -2.489 580 HD3 PRO 84 HD1 PRO 84 9.270 -14.983 -2.790 581 H THR 85 HN THR 85 9.186 -12.129 -0.228 582 HA THR 85 HA THR 85 10.239 -9.418 0.130 583 HB THR 85 HB THR 85 8.198 -8.427 -0.573 584 HG1 THR 85 HG1 THR 85 7.089 -10.689 0.265 585 HG21 THR 85 HG21 THR 85 9.457 -9.108 -2.503 586 HG22 THR 85 HG22 THR 85 7.755 -9.413 -2.841 587 HG23 THR 85 HG23 THR 85 8.821 -10.753 -2.405 588 HA PRO 86 HA PRO 86 9.030 -11.733 3.972 589 HB2 PRO 86 HB2 PRO 86 11.253 -10.139 5.078 590 HB3 PRO 86 HB1 PRO 86 10.988 -11.881 5.149 591 HG2 PRO 86 HG2 PRO 86 12.887 -10.831 3.607 592 HG3 PRO 86 HG1 PRO 86 11.931 -12.222 3.054 593 HD2 PRO 86 HD2 PRO 86 11.661 -9.321 2.345 594 HD3 PRO 86 HD1 PRO 86 11.575 -10.757 1.297 595 H ASN 87 HN ASN 87 8.713 -8.636 3.005 596 HA ASN 87 HA ASN 87 7.443 -7.736 5.453 597 HB2 ASN 87 HB2 ASN 87 9.456 -6.026 4.015 598 HB3 ASN 87 HB1 ASN 87 8.674 -5.697 5.546 599 HD21 ASN 87 HD21 ASN 87 11.164 -7.264 3.912 600 HD22 ASN 87 HD22 ASN 87 12.041 -7.878 5.259 601 H ALA 88 HN ALA 88 6.626 -5.353 4.882 602 HA ALA 88 HA ALA 88 5.785 -5.220 2.089 603 HB1 ALA 88 HB1 ALA 88 3.461 -4.831 2.716 604 HB2 ALA 88 HB2 ALA 88 3.868 -5.080 4.414 605 HB3 ALA 88 HB3 ALA 88 4.002 -6.416 3.270 606 H TYR 89 HN TYR 89 5.364 -3.146 1.368 607 HA TYR 89 HA TYR 89 6.212 -0.942 3.036 608 HB2 TYR 89 HB2 TYR 89 4.773 -0.742 0.374 609 HB3 TYR 89 HB1 TYR 89 5.811 0.469 1.101 610 HD1 TYR 89 HD1 TYR 89 7.925 -1.979 1.737 611 HD2 TYR 89 HD2 TYR 89 6.003 -0.340 -1.678 612 HE1 TYR 89 HE1 TYR 89 9.793 -2.707 0.325 613 HE2 TYR 89 HE2 TYR 89 7.853 -1.068 -3.096 614 HH TYR 89 HH TYR 89 10.182 -1.604 -2.918 615 H TYR 90 HN TYR 90 4.874 -0.467 4.652 616 HA TYR 90 HA TYR 90 3.047 -0.160 5.929 617 HB2 TYR 90 HB2 TYR 90 2.332 1.085 3.547 618 HB3 TYR 90 HB1 TYR 90 0.963 0.037 3.907 619 HD1 TYR 90 HD1 TYR 90 2.181 3.232 4.389 620 HD2 TYR 90 HD2 TYR 90 0.353 0.061 6.551 621 HE1 TYR 90 HE1 TYR 90 1.418 4.832 6.077 622 HE2 TYR 90 HE2 TYR 90 -0.425 1.659 8.249 623 HH TYR 90 HH TYR 90 -0.347 5.027 7.787 624 H GLU 91 HN GLU 91 0.359 -1.183 4.389 625 HA GLU 91 HA GLU 91 0.517 -3.691 5.870 626 HB2 GLU 91 HB2 GLU 91 -1.935 -2.713 4.449 627 HB3 GLU 91 HB1 GLU 91 -1.822 -3.751 5.860 628 HG2 GLU 91 HG2 GLU 91 -0.777 -1.641 6.975 629 HG3 GLU 91 HG1 GLU 91 -1.580 -0.798 5.647 630 H GLY 92 HN GLY 92 1.615 -3.144 2.995 631 HA2 GLY 92 HA2 GLY 92 1.999 -4.983 1.465 632 HA3 GLY 92 HA1 GLY 92 0.365 -5.540 1.803 633 H VAL 93 HN VAL 93 0.274 -2.261 1.636 634 HA VAL 93 HA VAL 93 -1.081 -2.006 -0.766 635 HB VAL 93 HB VAL 93 0.636 0.147 0.524 636 HG11 VAL 93 HG11 VAL 93 -1.061 1.657 -0.417 637 HG12 VAL 93 HG12 VAL 93 -1.797 0.274 -1.227 638 HG13 VAL 93 HG13 VAL 93 -0.153 0.768 -1.640 639 HG21 VAL 93 HG21 VAL 93 -0.765 -0.748 2.262 640 HG22 VAL 93 HG22 VAL 93 -2.178 -0.707 1.209 641 HG23 VAL 93 HG23 VAL 93 -1.442 0.802 1.750 642 H PHE 94 HN PHE 94 2.298 -1.978 0.025 643 HA PHE 94 HA PHE 94 2.907 -2.674 -2.691 644 HB2 PHE 94 HB2 PHE 94 5.070 -1.044 -2.187 645 HB3 PHE 94 HB1 PHE 94 3.768 -0.699 -3.299 646 HD1 PHE 94 HD1 PHE 94 2.334 -0.241 -0.098 647 HD2 PHE 94 HD2 PHE 94 5.147 1.503 -2.764 648 HE1 PHE 94 HE1 PHE 94 2.013 1.927 0.992 649 HE2 PHE 94 HE2 PHE 94 4.824 3.676 -1.672 650 HZ PHE 94 HZ PHE 94 3.249 3.895 0.206 651 H CYS 95 HN CYS 95 5.121 -3.716 -2.829 652 HA CYS 95 HA CYS 95 6.259 -4.488 -0.239 653 HB2 CYS 95 HB2 CYS 95 5.649 -6.694 -2.196 654 HB3 CYS 95 HB1 CYS 95 6.016 -6.811 -0.477 655 H SER 96 HN SER 96 8.381 -5.654 -0.493 656 HA SER 96 HA SER 96 9.757 -4.685 -2.925 657 HB2 SER 96 HB2 SER 96 10.646 -3.665 -0.904 658 HB3 SER 96 HB1 SER 96 10.860 -5.246 -0.163 659 HG SER 96 HG SER 96 12.806 -5.038 -0.968 660 H SER 97 HN SER 97 10.337 -6.172 -4.328 661 HA SER 97 HA SER 97 10.926 -8.882 -3.381 662 HB2 SER 97 HB2 SER 97 9.266 -8.322 -5.286 663 HB3 SER 97 HB1 SER 97 10.703 -8.085 -6.263 664 HG SER 97 HG SER 97 11.294 -10.290 -5.404 665 H SER 98 HN SER 98 12.609 -6.752 -2.909 666 HA SER 98 HA SER 98 15.028 -7.705 -4.273 667 HB2 SER 98 HB2 SER 98 14.308 -5.463 -5.170 668 HB3 SER 98 HB1 SER 98 14.511 -4.808 -3.548 669 HG SER 98 HG SER 98 16.746 -5.816 -3.820 670 H SER 99 HN SER 99 14.157 -8.750 -1.916 671 HA SER 99 HA SER 99 15.395 -7.258 0.265 672 HB2 SER 99 HB2 SER 99 14.304 -8.836 1.750 673 HB3 SER 99 HB1 SER 99 13.122 -8.228 0.621 674 HG SER 99 HG SER 99 13.054 -10.151 -0.389 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 17.204 -1.982 -4.587 2 H2 GLY 1 HT2 GLY 1 18.270 -3.259 -4.242 3 H3 GLY 1 HT3 GLY 1 17.986 -2.058 -3.078 4 HA2 GLY 1 HA2 GLY 1 16.052 -4.083 -4.071 5 HA3 GLY 1 HA1 GLY 1 15.631 -2.760 -2.990 6 H VAL 2 HN VAL 2 15.023 -4.158 -1.299 7 HA VAL 2 HA VAL 2 16.773 -6.115 -0.213 8 HB VAL 2 HB VAL 2 17.879 -3.792 0.278 9 HG11 VAL 2 HG11 VAL 2 15.984 -2.624 1.134 10 HG12 VAL 2 HG12 VAL 2 17.129 -2.844 2.458 11 HG13 VAL 2 HG13 VAL 2 15.692 -3.869 2.351 12 HG21 VAL 2 HG21 VAL 2 18.403 -6.120 1.246 13 HG22 VAL 2 HG22 VAL 2 17.583 -5.534 2.694 14 HG23 VAL 2 HG23 VAL 2 19.006 -4.693 2.084 15 H ASP 3 HN ASP 3 16.054 -6.403 2.267 16 HA ASP 3 HA ASP 3 13.473 -7.205 2.499 17 HB2 ASP 3 HB2 ASP 3 13.810 -6.676 5.021 18 HB3 ASP 3 HB1 ASP 3 14.862 -7.849 4.242 19 HA PRO 4 HA PRO 4 11.156 -3.525 1.659 20 HB2 PRO 4 HB2 PRO 4 8.877 -4.745 2.822 21 HB3 PRO 4 HB1 PRO 4 9.264 -4.530 1.121 22 HG2 PRO 4 HG2 PRO 4 9.657 -6.862 2.874 23 HG3 PRO 4 HG1 PRO 4 9.430 -6.805 1.120 24 HD2 PRO 4 HD2 PRO 4 11.776 -7.384 2.224 25 HD3 PRO 4 HD1 PRO 4 11.670 -6.425 0.739 26 H LYS 5 HN LYS 5 11.777 -4.540 4.936 27 HA LYS 5 HA LYS 5 9.941 -2.643 6.088 28 HB2 LYS 5 HB2 LYS 5 11.255 -3.086 8.236 29 HB3 LYS 5 HB1 LYS 5 10.282 -4.366 7.555 30 HG2 LYS 5 HG2 LYS 5 12.275 -5.380 8.251 31 HG3 LYS 5 HG1 LYS 5 12.419 -5.235 6.501 32 HD2 LYS 5 HD2 LYS 5 13.885 -3.362 6.704 33 HD3 LYS 5 HD1 LYS 5 13.586 -3.245 8.441 34 HE2 LYS 5 HE2 LYS 5 14.681 -5.344 8.829 35 HE3 LYS 5 HE1 LYS 5 14.837 -5.634 7.098 36 HZ1 LYS 5 HZ1 LYS 5 16.166 -3.454 8.619 37 HZ2 LYS 5 HZ2 LYS 5 16.316 -3.731 6.953 38 HZ3 LYS 5 HZ3 LYS 5 16.909 -4.872 8.057 39 H HIS 6 HN HIS 6 12.243 -1.705 4.271 40 HA HIS 6 HA HIS 6 13.872 -0.114 6.011 41 HB2 HIS 6 HB2 HIS 6 14.584 0.954 3.740 42 HB3 HIS 6 HB1 HIS 6 15.085 -0.686 4.142 43 HD1 HIS 6 HD1 HIS 6 13.771 -2.625 2.930 44 HD2 HIS 6 HD2 HIS 6 13.066 1.211 1.501 45 HE1 HIS 6 HE1 HIS 6 12.580 -2.933 0.747 46 HE2 HIS 6 HE2 HIS 6 12.043 -0.606 -0.041 47 H VAL 7 HN VAL 7 10.859 0.325 5.746 48 HA VAL 7 HA VAL 7 9.363 2.006 5.876 49 HB VAL 7 HB VAL 7 9.922 3.703 7.498 50 HG11 VAL 7 HG11 VAL 7 9.409 1.538 8.341 51 HG12 VAL 7 HG12 VAL 7 10.756 2.165 9.292 52 HG13 VAL 7 HG13 VAL 7 11.047 0.957 8.034 53 HG21 VAL 7 HG21 VAL 7 12.785 2.788 7.213 54 HG22 VAL 7 HG22 VAL 7 12.179 3.912 8.429 55 HG23 VAL 7 HG23 VAL 7 12.144 4.355 6.721 56 H CYS 8 HN CYS 8 10.036 4.914 6.144 57 HA CYS 8 HA CYS 8 10.652 5.596 3.361 58 HB2 CYS 8 HB2 CYS 8 8.341 4.897 3.234 59 HB3 CYS 8 HB1 CYS 8 7.921 5.912 4.601 60 H VAL 9 HN VAL 9 11.109 7.633 2.980 61 HA VAL 9 HA VAL 9 9.889 9.707 4.618 62 HB VAL 9 HB VAL 9 12.100 11.026 4.181 63 HG11 VAL 9 HG11 VAL 9 11.333 10.443 6.417 64 HG12 VAL 9 HG12 VAL 9 13.079 10.219 6.287 65 HG13 VAL 9 HG13 VAL 9 12.001 8.821 6.231 66 HG21 VAL 9 HG21 VAL 9 13.144 9.426 2.726 67 HG22 VAL 9 HG22 VAL 9 13.002 8.162 3.950 68 HG23 VAL 9 HG23 VAL 9 14.099 9.526 4.211 69 H ASP 10 HN ASP 10 8.483 10.151 2.991 70 HA ASP 10 HA ASP 10 9.624 11.064 0.458 71 HB2 ASP 10 HB2 ASP 10 8.705 8.965 -0.082 72 HB3 ASP 10 HB1 ASP 10 7.291 9.239 0.909 73 H THR 11 HN THR 11 8.380 12.702 -0.597 74 HA THR 11 HA THR 11 7.030 14.494 -0.812 75 HB THR 11 HB THR 11 5.476 12.412 0.637 76 HG1 THR 11 HG1 THR 11 5.598 11.703 -1.334 77 HG21 THR 11 HG21 THR 11 4.346 14.974 -0.461 78 HG22 THR 11 HG22 THR 11 4.292 14.420 1.216 79 HG23 THR 11 HG23 THR 11 3.386 13.559 -0.030 80 H ARG 12 HN ARG 12 5.734 16.230 0.391 81 HA ARG 12 HA ARG 12 7.058 16.839 2.899 82 HB2 ARG 12 HB2 ARG 12 5.018 18.560 1.584 83 HB3 ARG 12 HB1 ARG 12 6.340 19.028 2.626 84 HG2 ARG 12 HG2 ARG 12 6.513 18.114 -0.222 85 HG3 ARG 12 HG1 ARG 12 6.845 19.720 0.414 86 HD2 ARG 12 HD2 ARG 12 8.393 17.205 1.013 87 HD3 ARG 12 HD1 ARG 12 8.914 18.507 -0.051 88 HE ARG 12 HE ARG 12 8.533 19.777 2.307 89 HH11 ARG 12 HH11 ARG 12 10.279 16.876 1.404 90 HH12 ARG 12 HH12 ARG 12 11.496 17.062 2.636 91 HH21 ARG 12 HH21 ARG 12 10.141 20.030 3.943 92 HH22 ARG 12 HH22 ARG 12 11.426 18.869 4.056 93 H ASP 13 HN ASP 13 3.860 16.218 1.600 94 HA ASP 13 HA ASP 13 3.025 15.312 4.242 95 HB2 ASP 13 HB2 ASP 13 2.384 17.747 4.015 96 HB3 ASP 13 HB1 ASP 13 1.299 17.256 2.714 97 H ILE 14 HN ILE 14 2.636 13.259 3.700 98 HA ILE 14 HA ILE 14 1.419 12.502 1.202 99 HB ILE 14 HB ILE 14 2.155 10.923 3.674 100 HG12 ILE 14 HG12 ILE 14 3.546 10.035 1.427 101 HG13 ILE 14 HG11 ILE 14 3.520 11.789 1.279 102 HG21 ILE 14 HG21 ILE 14 1.048 9.890 1.081 103 HG22 ILE 14 HG22 ILE 14 0.304 9.760 2.675 104 HG23 ILE 14 HG23 ILE 14 1.807 8.894 2.322 105 HD11 ILE 14 HD11 ILE 14 4.472 10.240 3.664 106 HD12 ILE 14 HD12 ILE 14 4.472 11.999 3.493 107 HD13 ILE 14 HD13 ILE 14 5.493 11.008 2.448 108 HA PRO 15 HA PRO 15 -2.783 13.134 1.965 109 HB2 PRO 15 HB2 PRO 15 -3.106 10.377 0.878 110 HB3 PRO 15 HB1 PRO 15 -3.949 11.862 0.433 111 HG2 PRO 15 HG2 PRO 15 -2.061 10.989 -1.134 112 HG3 PRO 15 HG1 PRO 15 -2.078 12.712 -0.708 113 HD2 PRO 15 HD2 PRO 15 -0.405 10.505 0.406 114 HD3 PRO 15 HD1 PRO 15 0.090 12.130 -0.066 115 H LYS 16 HN LYS 16 -4.611 12.503 3.175 116 HA LYS 16 HA LYS 16 -4.141 11.647 5.675 117 HB2 LYS 16 HB2 LYS 16 -6.778 11.134 5.361 118 HB3 LYS 16 HB1 LYS 16 -6.096 12.714 5.655 119 HG2 LYS 16 HG2 LYS 16 -6.290 13.326 3.422 120 HG3 LYS 16 HG1 LYS 16 -6.469 11.658 2.885 121 HD2 LYS 16 HD2 LYS 16 -8.654 11.545 3.953 122 HD3 LYS 16 HD1 LYS 16 -8.470 13.200 4.532 123 HE2 LYS 16 HE2 LYS 16 -8.339 12.535 1.607 124 HE3 LYS 16 HE1 LYS 16 -9.878 12.800 2.421 125 HZ1 LYS 16 HZ1 LYS 16 -7.638 14.756 2.230 126 HZ2 LYS 16 HZ2 LYS 16 -9.084 15.008 3.086 127 HZ3 LYS 16 HZ3 LYS 16 -9.118 14.832 1.402 128 H ASN 17 HN ASN 17 -6.040 9.723 3.387 129 HA ASN 17 HA ASN 17 -5.719 7.421 5.117 130 HB2 ASN 17 HB2 ASN 17 -7.223 7.728 2.501 131 HB3 ASN 17 HB1 ASN 17 -7.278 6.319 3.542 132 HD21 ASN 17 HD21 ASN 17 -7.252 9.559 4.835 133 HD22 ASN 17 HD22 ASN 17 -8.900 9.586 5.343 134 H ALA 18 HN ALA 18 -3.412 8.471 3.982 135 HA ALA 18 HA ALA 18 -2.620 6.376 2.058 136 HB1 ALA 18 HB1 ALA 18 -2.938 8.523 0.882 137 HB2 ALA 18 HB2 ALA 18 -1.261 7.974 0.844 138 HB3 ALA 18 HB3 ALA 18 -1.747 9.269 1.952 139 H GLY 19 HN GLY 19 -0.327 6.057 1.969 140 HA2 GLY 19 HA2 GLY 19 1.225 7.061 4.235 141 HA3 GLY 19 HA1 GLY 19 1.062 5.313 4.064 142 H CYS 20 HN CYS 20 3.527 6.802 3.915 143 HA CYS 20 HA CYS 20 4.112 6.630 1.041 144 HB2 CYS 20 HB2 CYS 20 5.679 8.300 1.259 145 HB3 CYS 20 HB1 CYS 20 4.497 8.806 2.450 146 H PHE 21 HN PHE 21 5.850 5.515 0.353 147 HA PHE 21 HA PHE 21 7.529 4.394 2.415 148 HB2 PHE 21 HB2 PHE 21 5.813 2.690 1.910 149 HB3 PHE 21 HB1 PHE 21 6.434 2.632 0.258 150 HD1 PHE 21 HD1 PHE 21 8.739 1.902 -0.154 151 HD2 PHE 21 HD2 PHE 21 6.984 1.701 3.711 152 HE1 PHE 21 HE1 PHE 21 10.529 0.417 0.580 153 HE2 PHE 21 HE2 PHE 21 8.792 0.207 4.457 154 HZ PHE 21 HZ PHE 21 10.584 -0.422 2.883 155 H ARG 22 HN ARG 22 9.578 4.022 1.866 156 HA ARG 22 HA ARG 22 10.411 5.012 -0.772 157 HB2 ARG 22 HB2 ARG 22 10.746 6.791 0.842 158 HB3 ARG 22 HB1 ARG 22 11.567 5.690 1.936 159 HG2 ARG 22 HG2 ARG 22 13.105 5.369 -0.204 160 HG3 ARG 22 HG1 ARG 22 12.529 7.011 -0.494 161 HD2 ARG 22 HD2 ARG 22 13.520 7.848 1.392 162 HD3 ARG 22 HD1 ARG 22 13.563 6.271 2.189 163 HE ARG 22 HE ARG 22 15.193 5.712 0.318 164 HH11 ARG 22 HH11 ARG 22 14.939 8.861 1.820 165 HH12 ARG 22 HH12 ARG 22 16.609 9.265 1.573 166 HH21 ARG 22 HH21 ARG 22 17.379 6.233 -0.026 167 HH22 ARG 22 HH22 ARG 22 17.997 7.776 0.493 168 H ASP 23 HN ASP 23 11.698 3.542 -1.793 169 HA ASP 23 HA ASP 23 12.309 1.182 -0.227 170 HB2 ASP 23 HB2 ASP 23 12.665 -0.011 -2.268 171 HB3 ASP 23 HB1 ASP 23 11.180 0.911 -2.400 172 H ASP 24 HN ASP 24 14.395 0.003 -1.375 173 HA ASP 24 HA ASP 24 16.523 1.262 0.038 174 HB2 ASP 24 HB2 ASP 24 16.333 -1.126 0.086 175 HB3 ASP 24 HB1 ASP 24 16.363 -1.214 -1.666 176 H ASP 25 HN ASP 25 15.387 1.470 -3.145 177 HA ASP 25 HA ASP 25 17.982 2.152 -4.277 178 HB2 ASP 25 HB2 ASP 25 15.247 1.682 -5.452 179 HB3 ASP 25 HB1 ASP 25 16.579 2.328 -6.396 180 H GLY 26 HN GLY 26 16.005 3.754 -2.408 181 HA2 GLY 26 HA2 GLY 26 15.999 6.027 -1.952 182 HA3 GLY 26 HA1 GLY 26 16.825 6.312 -3.480 183 H THR 27 HN THR 27 14.171 4.321 -3.859 184 HA THR 27 HA THR 27 12.687 6.273 -5.346 185 HB THR 27 HB THR 27 11.799 3.544 -4.436 186 HG1 THR 27 HG1 THR 27 13.417 2.831 -5.569 187 HG21 THR 27 HG21 THR 27 11.087 5.188 -6.873 188 HG22 THR 27 HG22 THR 27 10.049 4.893 -5.479 189 HG23 THR 27 HG23 THR 27 10.506 3.557 -6.534 190 H GLU 28 HN GLU 28 11.210 7.648 -4.511 191 HA GLU 28 HA GLU 28 9.978 6.935 -1.933 192 HB2 GLU 28 HB2 GLU 28 10.676 9.613 -3.128 193 HB3 GLU 28 HB1 GLU 28 9.597 9.446 -1.748 194 HG2 GLU 28 HG2 GLU 28 11.306 8.535 -0.396 195 HG3 GLU 28 HG1 GLU 28 12.370 8.309 -1.781 196 H GLU 29 HN GLU 29 7.933 6.454 -1.951 197 HA GLU 29 HA GLU 29 6.115 7.627 -3.896 198 HB2 GLU 29 HB2 GLU 29 6.919 5.695 -5.085 199 HB3 GLU 29 HB1 GLU 29 6.709 4.678 -3.666 200 HG2 GLU 29 HG2 GLU 29 4.308 4.903 -3.824 201 HG3 GLU 29 HG1 GLU 29 4.473 5.993 -5.196 202 H TRP 30 HN TRP 30 4.261 8.108 -2.868 203 HA TRP 30 HA TRP 30 3.550 6.436 -0.573 204 HB2 TRP 30 HB2 TRP 30 1.952 8.162 0.067 205 HB3 TRP 30 HB1 TRP 30 3.565 8.835 -0.092 206 HD1 TRP 30 HD TRP 30 3.833 10.877 -1.609 207 HE1 TRP 30 HE1 TRP 30 2.257 12.224 -3.151 208 HE3 TRP 30 HE3 TRP 30 -0.145 7.692 -1.612 209 HZ2 TRP 30 HZ2 TRP 30 -0.362 11.935 -4.225 210 HZ3 TRP 30 HZ3 TRP 30 -2.147 8.302 -2.921 211 HH2 TRP 30 HH TRP 30 -2.240 10.378 -4.199 212 H ARG 31 HN ARG 31 1.349 5.767 -0.367 213 HA ARG 31 HA ARG 31 -0.129 5.460 -2.860 214 HB2 ARG 31 HB2 ARG 31 0.764 3.136 -1.151 215 HB3 ARG 31 HB1 ARG 31 -0.460 3.025 -2.405 216 HG2 ARG 31 HG2 ARG 31 1.340 3.861 -4.002 217 HG3 ARG 31 HG1 ARG 31 2.475 3.528 -2.695 218 HD2 ARG 31 HD2 ARG 31 1.567 1.185 -2.624 219 HD3 ARG 31 HD1 ARG 31 0.671 1.557 -4.098 220 HE ARG 31 HE ARG 31 3.493 2.127 -4.279 221 HH11 ARG 31 HH11 ARG 31 1.139 -0.472 -4.530 222 HH12 ARG 31 HH12 ARG 31 2.052 -1.336 -5.723 223 HH21 ARG 31 HH21 ARG 31 4.670 1.013 -5.821 224 HH22 ARG 31 HH22 ARG 31 4.094 -0.510 -6.449 225 H CYS 32 HN CYS 32 -2.138 3.967 -2.169 226 HA CYS 32 HA CYS 32 -3.308 5.416 0.112 227 HB2 CYS 32 HB2 CYS 32 -4.700 4.103 -2.255 228 HB3 CYS 32 HB1 CYS 32 -5.478 5.048 -0.989 229 H LEU 33 HN LEU 33 -3.986 4.271 1.767 230 HA LEU 33 HA LEU 33 -2.950 1.728 2.141 231 HB2 LEU 33 HB2 LEU 33 -5.233 2.819 3.738 232 HB3 LEU 33 HB1 LEU 33 -3.988 1.719 4.267 233 HG LEU 33 HG LEU 33 -3.884 4.686 3.935 234 HD11 LEU 33 HD11 LEU 33 -2.843 4.543 6.144 235 HD12 LEU 33 HD12 LEU 33 -2.966 2.780 6.075 236 HD13 LEU 33 HD13 LEU 33 -4.430 3.771 6.101 237 HD21 LEU 33 HD21 LEU 33 -1.518 4.757 3.993 238 HD22 LEU 33 HD22 LEU 33 -1.972 3.723 2.637 239 HD23 LEU 33 HD23 LEU 33 -1.392 2.994 4.137 240 H LEU 34 HN LEU 34 -4.200 -0.189 2.815 241 HA LEU 34 HA LEU 34 -5.463 -1.090 0.525 242 HB2 LEU 34 HB2 LEU 34 -5.306 -2.332 3.256 243 HB3 LEU 34 HB1 LEU 34 -5.738 -3.176 1.777 244 HG LEU 34 HG LEU 34 -3.094 -1.861 2.365 245 HD11 LEU 34 HD11 LEU 34 -3.339 -3.916 3.572 246 HD12 LEU 34 HD12 LEU 34 -2.221 -4.148 2.227 247 HD13 LEU 34 HD13 LEU 34 -3.874 -4.752 2.110 248 HD21 LEU 34 HD21 LEU 34 -2.372 -2.732 0.219 249 HD22 LEU 34 HD22 LEU 34 -3.739 -1.633 0.020 250 HD23 LEU 34 HD23 LEU 34 -3.986 -3.378 -0.080 251 H GLY 35 HN GLY 35 -7.460 -1.320 -0.078 252 HA2 GLY 35 HA2 GLY 35 -9.780 -1.540 0.130 253 HA3 GLY 35 HA1 GLY 35 -9.643 -1.117 1.833 254 H TYR 36 HN TYR 36 -7.811 1.057 0.194 255 HA TYR 36 HA TYR 36 -10.007 3.001 0.242 256 HB2 TYR 36 HB2 TYR 36 -7.031 3.442 0.501 257 HB3 TYR 36 HB1 TYR 36 -8.257 4.706 0.540 258 HD1 TYR 36 HD1 TYR 36 -6.595 4.793 2.725 259 HD2 TYR 36 HD2 TYR 36 -9.838 2.126 2.128 260 HE1 TYR 36 HE1 TYR 36 -6.809 4.496 5.162 261 HE2 TYR 36 HE2 TYR 36 -10.064 1.816 4.549 262 HH TYR 36 HH TYR 36 -8.563 2.021 6.569 263 H LYS 37 HN LYS 37 -8.994 5.040 -1.166 264 HA LYS 37 HA LYS 37 -8.311 4.060 -3.815 265 HB2 LYS 37 HB2 LYS 37 -10.305 5.039 -4.825 266 HB3 LYS 37 HB1 LYS 37 -10.751 3.797 -3.681 267 HG2 LYS 37 HG2 LYS 37 -11.195 5.569 -2.012 268 HG3 LYS 37 HG1 LYS 37 -10.866 6.772 -3.261 269 HD2 LYS 37 HD2 LYS 37 -12.681 5.683 -4.622 270 HD3 LYS 37 HD1 LYS 37 -13.077 4.737 -3.190 271 HE2 LYS 37 HE2 LYS 37 -13.511 6.742 -1.922 272 HE3 LYS 37 HE1 LYS 37 -13.036 7.752 -3.288 273 HZ1 LYS 37 HZ1 LYS 37 -15.385 5.932 -3.143 274 HZ2 LYS 37 HZ2 LYS 37 -14.893 6.736 -4.550 275 HZ3 LYS 37 HZ3 LYS 37 -15.409 7.626 -3.204 276 H LYS 38 HN LYS 38 -8.362 6.006 -5.363 277 HA LYS 38 HA LYS 38 -6.951 8.203 -4.043 278 HB2 LYS 38 HB2 LYS 38 -6.099 6.922 -6.127 279 HB3 LYS 38 HB1 LYS 38 -7.291 7.858 -7.014 280 HG2 LYS 38 HG2 LYS 38 -5.263 9.015 -7.234 281 HG3 LYS 38 HG1 LYS 38 -6.211 9.919 -6.051 282 HD2 LYS 38 HD2 LYS 38 -4.223 9.843 -4.936 283 HD3 LYS 38 HD1 LYS 38 -4.934 8.326 -4.363 284 HE2 LYS 38 HE2 LYS 38 -3.170 8.472 -6.792 285 HE3 LYS 38 HE1 LYS 38 -2.515 8.252 -5.171 286 HZ1 LYS 38 HZ1 LYS 38 -2.785 6.141 -6.268 287 HZ2 LYS 38 HZ2 LYS 38 -4.422 6.443 -6.564 288 HZ3 LYS 38 HZ3 LYS 38 -3.872 6.239 -4.972 289 H GLY 39 HN GLY 39 -7.822 10.188 -3.827 290 HA2 GLY 39 HA2 GLY 39 -10.655 10.338 -4.609 291 HA3 GLY 39 HA1 GLY 39 -9.958 11.082 -3.182 292 H GLU 40 HN GLU 40 -9.504 13.116 -3.238 293 HA GLU 40 HA GLU 40 -10.217 14.697 -5.515 294 HB2 GLU 40 HB2 GLU 40 -9.678 16.587 -3.929 295 HB3 GLU 40 HB1 GLU 40 -10.890 15.453 -3.344 296 HG2 GLU 40 HG2 GLU 40 -9.036 14.280 -2.106 297 HG3 GLU 40 HG1 GLU 40 -8.004 15.644 -2.523 298 H GLY 41 HN GLY 41 -8.198 13.324 -6.483 299 HA2 GLY 41 HA2 GLY 41 -6.393 14.036 -7.858 300 HA3 GLY 41 HA1 GLY 41 -6.055 15.315 -6.698 301 H ASN 42 HN ASN 42 -4.072 14.983 -5.936 302 HA ASN 42 HA ASN 42 -2.973 12.363 -5.503 303 HB2 ASN 42 HB2 ASN 42 -1.111 13.681 -4.369 304 HB3 ASN 42 HB1 ASN 42 -1.394 14.044 -6.068 305 HD21 ASN 42 HD21 ASN 42 -1.699 15.217 -2.794 306 HD22 ASN 42 HD22 ASN 42 -1.989 16.872 -3.212 307 H THR 43 HN THR 43 -4.978 11.833 -4.198 308 HA THR 43 HA THR 43 -4.444 12.209 -1.350 309 HB THR 43 HB THR 43 -6.983 12.546 -1.075 310 HG1 THR 43 HG1 THR 43 -6.557 13.385 -3.759 311 HG21 THR 43 HG21 THR 43 -5.245 14.762 -2.159 312 HG22 THR 43 HG22 THR 43 -5.348 14.242 -0.476 313 HG23 THR 43 HG23 THR 43 -6.746 14.981 -1.256 314 H CYS 44 HN CYS 44 -5.343 10.629 -0.049 315 HA CYS 44 HA CYS 44 -6.609 8.409 -1.483 316 HB2 CYS 44 HB2 CYS 44 -4.776 8.255 0.909 317 HB3 CYS 44 HB1 CYS 44 -5.536 6.889 0.094 318 H VAL 45 HN VAL 45 -8.345 7.487 -0.603 319 HA VAL 45 HA VAL 45 -9.452 8.522 1.889 320 HB VAL 45 HB VAL 45 -11.648 8.931 0.745 321 HG11 VAL 45 HG11 VAL 45 -10.192 10.790 1.378 322 HG12 VAL 45 HG12 VAL 45 -11.061 11.136 -0.121 323 HG13 VAL 45 HG13 VAL 45 -9.363 10.665 -0.175 324 HG21 VAL 45 HG21 VAL 45 -9.983 8.831 -1.776 325 HG22 VAL 45 HG22 VAL 45 -11.682 9.291 -1.668 326 HG23 VAL 45 HG23 VAL 45 -11.191 7.637 -1.301 327 H GLU 46 HN GLU 46 -11.063 7.235 2.757 328 HA GLU 46 HA GLU 46 -10.875 4.502 2.288 329 HB2 GLU 46 HB2 GLU 46 -12.720 6.255 3.832 330 HB3 GLU 46 HB1 GLU 46 -13.214 4.590 3.555 331 HG2 GLU 46 HG2 GLU 46 -11.257 3.763 4.652 332 HG3 GLU 46 HG1 GLU 46 -10.593 5.394 4.799 333 H ASN 47 HN ASN 47 -11.454 3.499 0.519 334 HA ASN 47 HA ASN 47 -13.469 4.470 -1.255 335 HB2 ASN 47 HB2 ASN 47 -11.613 3.342 -2.222 336 HB3 ASN 47 HB1 ASN 47 -11.796 1.960 -1.159 337 HD21 ASN 47 HD21 ASN 47 -11.611 0.835 -3.168 338 HD22 ASN 47 HD22 ASN 47 -13.038 0.505 -4.078 339 H ASN 48 HN ASN 48 -13.214 1.799 1.028 340 HA ASN 48 HA ASN 48 -14.761 0.798 2.337 341 HB2 ASN 48 HB2 ASN 48 -16.588 2.948 1.267 342 HB3 ASN 48 HB1 ASN 48 -17.046 1.801 2.526 343 HD21 ASN 48 HD21 ASN 48 -14.592 1.687 3.876 344 HD22 ASN 48 HD22 ASN 48 -14.295 3.209 4.630 345 H ASN 49 HN ASN 49 -15.242 1.090 -1.025 346 HA ASN 49 HA ASN 49 -16.446 -1.600 -0.918 347 HB2 ASN 49 HB2 ASN 49 -17.967 0.160 -1.878 348 HB3 ASN 49 HB1 ASN 49 -16.769 0.395 -3.147 349 HD21 ASN 49 HD21 ASN 49 -18.110 -0.255 -4.810 350 HD22 ASN 49 HD22 ASN 49 -18.634 -1.892 -5.003 351 HA PRO 50 HA PRO 50 -12.242 -1.273 -3.106 352 HB2 PRO 50 HB2 PRO 50 -10.908 -2.980 -1.454 353 HB3 PRO 50 HB1 PRO 50 -10.853 -1.233 -1.348 354 HG2 PRO 50 HG2 PRO 50 -12.384 -3.175 0.280 355 HG3 PRO 50 HG1 PRO 50 -11.685 -1.620 0.747 356 HD2 PRO 50 HD2 PRO 50 -14.328 -2.010 0.284 357 HD3 PRO 50 HD1 PRO 50 -13.511 -0.461 0.060 358 H THR 51 HN THR 51 -11.927 -2.549 -4.725 359 HA THR 51 HA THR 51 -12.760 -5.363 -4.586 360 HB THR 51 HB THR 51 -14.292 -4.079 -6.010 361 HG1 THR 51 HG1 THR 51 -14.123 -5.397 -7.815 362 HG21 THR 51 HG21 THR 51 -13.502 -2.980 -8.062 363 HG22 THR 51 HG22 THR 51 -11.833 -3.336 -7.616 364 HG23 THR 51 HG23 THR 51 -12.795 -2.236 -6.628 365 H CYS 52 HN CYS 52 -11.339 -6.843 -5.645 366 HA CYS 52 HA CYS 52 -8.690 -5.754 -6.158 367 HB2 CYS 52 HB2 CYS 52 -9.108 -7.966 -4.939 368 HB3 CYS 52 HB1 CYS 52 -9.588 -8.629 -6.494 369 H ASP 53 HN ASP 53 -7.904 -5.470 -8.182 370 HA ASP 53 HA ASP 53 -8.675 -5.931 -10.687 371 HB2 ASP 53 HB2 ASP 53 -11.087 -5.635 -9.828 372 HB3 ASP 53 HB1 ASP 53 -10.700 -3.934 -9.638 373 H ILE 54 HN ILE 54 -9.119 -3.157 -8.552 374 HA ILE 54 HA ILE 54 -7.878 -1.214 -10.169 375 HB ILE 54 HB ILE 54 -8.112 -1.277 -7.161 376 HG12 ILE 54 HG12 ILE 54 -9.987 -0.048 -9.196 377 HG13 ILE 54 HG11 ILE 54 -10.284 -1.559 -8.337 378 HG21 ILE 54 HG21 ILE 54 -7.818 1.118 -7.250 379 HG22 ILE 54 HG22 ILE 54 -7.743 1.070 -9.012 380 HG23 ILE 54 HG23 ILE 54 -6.455 0.315 -8.054 381 HD11 ILE 54 HD11 ILE 54 -9.981 1.159 -7.064 382 HD12 ILE 54 HD12 ILE 54 -10.326 -0.354 -6.223 383 HD13 ILE 54 HD13 ILE 54 -11.501 0.315 -7.355 384 H ASN 55 HN ASN 55 -5.868 -1.801 -10.901 385 HA ASN 55 HA ASN 55 -3.614 -2.191 -10.859 386 HB2 ASN 55 HB2 ASN 55 -3.659 -0.426 -9.020 387 HB3 ASN 55 HB1 ASN 55 -3.681 -1.746 -7.879 388 HD21 ASN 55 HD21 ASN 55 -1.693 -1.402 -6.987 389 HD22 ASN 55 HD22 ASN 55 -0.215 -1.553 -7.868 390 H ASN 56 HN ASN 56 -5.102 -3.380 -7.990 391 HA ASN 56 HA ASN 56 -5.107 -6.072 -8.268 392 HB2 ASN 56 HB2 ASN 56 -3.102 -6.825 -7.033 393 HB3 ASN 56 HB1 ASN 56 -2.698 -6.100 -8.583 394 HD21 ASN 56 HD21 ASN 56 -0.844 -6.392 -6.776 395 HD22 ASN 56 HD22 ASN 56 -0.424 -4.859 -6.127 396 H GLY 57 HN GLY 57 -6.604 -4.075 -7.072 397 HA2 GLY 57 HA2 GLY 57 -7.973 -4.083 -5.197 398 HA3 GLY 57 HA1 GLY 57 -6.828 -5.160 -4.408 399 H GLY 58 HN GLY 58 -4.880 -2.852 -5.533 400 HA2 GLY 58 HA2 GLY 58 -4.295 -0.720 -4.572 401 HA3 GLY 58 HA1 GLY 58 -5.199 -1.182 -3.133 402 H CYS 59 HN CYS 59 -3.227 -3.484 -4.700 403 HA CYS 59 HA CYS 59 -1.411 -3.588 -2.396 404 HB2 CYS 59 HB2 CYS 59 -1.954 -5.741 -4.441 405 HB3 CYS 59 HB1 CYS 59 -1.132 -5.924 -2.908 406 H ASP 60 HN ASP 60 0.634 -4.854 -3.229 407 HA ASP 60 HA ASP 60 1.761 -3.302 -5.450 408 HB2 ASP 60 HB2 ASP 60 2.872 -3.532 -3.170 409 HB3 ASP 60 HB1 ASP 60 3.105 -5.230 -3.545 410 HA PRO 61 HA PRO 61 1.162 -6.662 -8.201 411 HB2 PRO 61 HB2 PRO 61 3.918 -6.188 -9.189 412 HB3 PRO 61 HB1 PRO 61 2.388 -6.169 -10.068 413 HG2 PRO 61 HG2 PRO 61 3.751 -3.927 -9.455 414 HG3 PRO 61 HG1 PRO 61 1.983 -3.976 -9.573 415 HD2 PRO 61 HD2 PRO 61 3.720 -3.821 -7.178 416 HD3 PRO 61 HD1 PRO 61 2.074 -3.233 -7.427 417 H THR 62 HN THR 62 3.883 -6.484 -6.077 418 HA THR 62 HA THR 62 4.616 -9.276 -6.456 419 HB THR 62 HB THR 62 6.429 -8.826 -4.903 420 HG1 THR 62 HG1 THR 62 5.504 -6.147 -4.627 421 HG21 THR 62 HG21 THR 62 7.541 -6.956 -6.096 422 HG22 THR 62 HG22 THR 62 5.992 -6.561 -6.854 423 HG23 THR 62 HG23 THR 62 6.777 -8.106 -7.196 424 H ALA 63 HN ALA 63 2.532 -7.370 -4.584 425 HA ALA 63 HA ALA 63 2.218 -9.341 -2.468 426 HB1 ALA 63 HB1 ALA 63 2.065 -6.968 -1.879 427 HB2 ALA 63 HB2 ALA 63 0.536 -7.795 -1.574 428 HB3 ALA 63 HB3 ALA 63 0.717 -6.764 -2.998 429 H SER 64 HN SER 64 0.792 -10.915 -2.554 430 HA SER 64 HA SER 64 -0.858 -11.362 -4.826 431 HB2 SER 64 HB2 SER 64 0.125 -12.806 -2.549 432 HB3 SER 64 HB1 SER 64 -1.604 -13.058 -2.683 433 HG SER 64 HG SER 64 -1.329 -14.110 -4.530 434 H CYS 65 HN CYS 65 -2.774 -10.405 -5.147 435 HA CYS 65 HA CYS 65 -4.124 -9.200 -2.863 436 HB2 CYS 65 HB2 CYS 65 -3.917 -7.695 -4.690 437 HB3 CYS 65 HB1 CYS 65 -4.523 -8.897 -5.830 438 H GLN 66 HN GLN 66 -5.988 -9.750 -2.096 439 HA GLN 66 HA GLN 66 -7.644 -11.749 -3.484 440 HB2 GLN 66 HB2 GLN 66 -7.847 -11.656 -0.539 441 HB3 GLN 66 HB1 GLN 66 -7.872 -13.046 -1.616 442 HG2 GLN 66 HG2 GLN 66 -5.306 -11.651 -1.293 443 HG3 GLN 66 HG1 GLN 66 -5.897 -12.540 0.102 444 HE21 GLN 66 HE21 GLN 66 -6.125 -14.780 -0.039 445 HE22 GLN 66 HE22 GLN 66 -5.296 -15.698 -1.253 446 H ASN 67 HN ASN 67 -9.853 -11.214 -3.510 447 HA ASN 67 HA ASN 67 -10.477 -8.680 -2.176 448 HB2 ASN 67 HB2 ASN 67 -12.521 -8.581 -3.542 449 HB3 ASN 67 HB1 ASN 67 -11.050 -8.564 -4.477 450 HD21 ASN 67 HD21 ASN 67 -10.526 -10.428 -5.718 451 HD22 ASN 67 HD22 ASN 67 -11.745 -11.572 -6.161 452 H ALA 68 HN ALA 68 -12.152 -8.427 -0.885 453 HA ALA 68 HA ALA 68 -13.691 -10.648 0.087 454 HB1 ALA 68 HB1 ALA 68 -11.316 -9.649 1.635 455 HB2 ALA 68 HB2 ALA 68 -11.622 -11.291 1.061 456 HB3 ALA 68 HB3 ALA 68 -12.619 -10.608 2.347 457 H GLU 69 HN GLU 69 -14.867 -10.031 2.097 458 HA GLU 69 HA GLU 69 -15.007 -7.135 2.514 459 HB2 GLU 69 HB2 GLU 69 -17.309 -9.087 2.419 460 HB3 GLU 69 HB1 GLU 69 -17.443 -7.455 3.058 461 HG2 GLU 69 HG2 GLU 69 -16.671 -6.618 0.829 462 HG3 GLU 69 HG1 GLU 69 -16.818 -8.271 0.234 463 H SER 70 HN SER 70 -14.935 -6.487 4.588 464 HA SER 70 HA SER 70 -15.170 -8.449 6.722 465 HB2 SER 70 HB2 SER 70 -12.792 -8.523 6.003 466 HB3 SER 70 HB1 SER 70 -12.662 -6.787 6.296 467 HG SER 70 HG SER 70 -13.503 -8.568 8.333 468 H THR 71 HN THR 71 -14.907 -7.297 8.896 469 HA THR 71 HA THR 71 -16.588 -5.100 9.135 470 HB THR 71 HB THR 71 -16.132 -6.456 11.058 471 HG1 THR 71 HG1 THR 71 -16.226 -3.938 11.184 472 HG21 THR 71 HG21 THR 71 -13.848 -7.132 10.482 473 HG22 THR 71 HG22 THR 71 -13.950 -6.551 12.147 474 HG23 THR 71 HG23 THR 71 -13.266 -5.515 10.893 475 H GLU 72 HN GLU 72 -13.131 -5.278 8.566 476 HA GLU 72 HA GLU 72 -12.922 -2.363 8.656 477 HB2 GLU 72 HB2 GLU 72 -10.659 -4.248 8.118 478 HB3 GLU 72 HB1 GLU 72 -10.585 -2.604 8.725 479 HG2 GLU 72 HG2 GLU 72 -11.877 -3.606 10.761 480 HG3 GLU 72 HG1 GLU 72 -11.226 -5.137 10.154 481 H ASN 73 HN ASN 73 -12.669 -1.154 6.910 482 HA ASN 73 HA ASN 73 -13.107 -2.166 4.279 483 HB2 ASN 73 HB2 ASN 73 -12.423 0.212 3.612 484 HB3 ASN 73 HB1 ASN 73 -13.780 0.077 4.705 485 HD21 ASN 73 HD21 ASN 73 -13.668 1.947 5.747 486 HD22 ASN 73 HD22 ASN 73 -12.331 2.467 6.704 487 H SER 74 HN SER 74 -10.284 -1.606 6.197 488 HA SER 74 HA SER 74 -8.458 -1.746 3.986 489 HB2 SER 74 HB2 SER 74 -7.790 -0.419 5.874 490 HB3 SER 74 HB1 SER 74 -8.062 -1.760 6.985 491 HG SER 74 HG SER 74 -5.823 -1.114 5.691 492 H LYS 75 HN LYS 75 -10.140 -3.966 5.928 493 HA LYS 75 HA LYS 75 -8.232 -6.119 5.393 494 HB2 LYS 75 HB2 LYS 75 -10.702 -6.067 7.140 495 HB3 LYS 75 HB1 LYS 75 -9.599 -7.425 6.967 496 HG2 LYS 75 HG2 LYS 75 -8.698 -4.744 7.925 497 HG3 LYS 75 HG1 LYS 75 -9.291 -6.005 9.008 498 HD2 LYS 75 HD2 LYS 75 -7.021 -6.363 7.063 499 HD3 LYS 75 HD1 LYS 75 -6.826 -5.969 8.768 500 HE2 LYS 75 HE2 LYS 75 -7.974 -8.017 9.394 501 HE3 LYS 75 HE1 LYS 75 -8.207 -8.414 7.691 502 HZ1 LYS 75 HZ1 LYS 75 -5.920 -8.751 7.387 503 HZ2 LYS 75 HZ2 LYS 75 -6.271 -9.525 8.855 504 HZ3 LYS 75 HZ3 LYS 75 -5.511 -8.006 8.856 505 H LYS 76 HN LYS 76 -10.323 -4.720 3.586 506 HA LYS 76 HA LYS 76 -11.907 -7.011 2.765 507 HB2 LYS 76 HB2 LYS 76 -11.719 -4.282 1.513 508 HB3 LYS 76 HB1 LYS 76 -12.895 -5.526 1.131 509 HG2 LYS 76 HG2 LYS 76 -13.663 -5.370 3.524 510 HG3 LYS 76 HG1 LYS 76 -12.663 -3.920 3.655 511 HD2 LYS 76 HD2 LYS 76 -13.909 -3.092 1.591 512 HD3 LYS 76 HD1 LYS 76 -15.034 -4.401 1.890 513 HE2 LYS 76 HE2 LYS 76 -15.100 -3.414 4.285 514 HE3 LYS 76 HE1 LYS 76 -14.501 -1.964 3.490 515 HZ1 LYS 76 HZ1 LYS 76 -17.003 -3.422 2.812 516 HZ2 LYS 76 HZ2 LYS 76 -16.429 -2.051 2.004 517 HZ3 LYS 76 HZ3 LYS 76 -16.909 -1.938 3.624 518 H ILE 77 HN ILE 77 -9.185 -5.088 1.671 519 HA ILE 77 HA ILE 77 -8.780 -7.045 -0.476 520 HB ILE 77 HB ILE 77 -7.476 -4.346 -0.114 521 HG12 ILE 77 HG12 ILE 77 -9.789 -4.109 -0.794 522 HG13 ILE 77 HG11 ILE 77 -8.749 -3.759 -2.177 523 HG21 ILE 77 HG21 ILE 77 -6.541 -4.712 -2.347 524 HG22 ILE 77 HG22 ILE 77 -7.228 -6.334 -2.359 525 HG23 ILE 77 HG23 ILE 77 -5.972 -5.918 -1.192 526 HD11 ILE 77 HD11 ILE 77 -10.157 -6.371 -1.673 527 HD12 ILE 77 HD12 ILE 77 -9.174 -5.959 -3.083 528 HD13 ILE 77 HD13 ILE 77 -10.693 -5.107 -2.785 529 H ILE 78 HN ILE 78 -7.474 -8.586 -0.042 530 HA ILE 78 HA ILE 78 -5.612 -8.305 2.189 531 HB ILE 78 HB ILE 78 -6.388 -10.809 0.681 532 HG12 ILE 78 HG12 ILE 78 -7.590 -11.311 2.909 533 HG13 ILE 78 HG11 ILE 78 -7.466 -9.585 3.218 534 HG21 ILE 78 HG21 ILE 78 -4.202 -10.939 1.731 535 HG22 ILE 78 HG22 ILE 78 -5.360 -11.991 2.545 536 HG23 ILE 78 HG23 ILE 78 -4.903 -10.452 3.273 537 HD11 ILE 78 HD11 ILE 78 -8.776 -9.099 1.257 538 HD12 ILE 78 HD12 ILE 78 -9.647 -10.243 2.283 539 HD13 ILE 78 HD13 ILE 78 -8.824 -10.809 0.828 540 H CYS 79 HN CYS 79 -3.752 -7.462 1.554 541 HA CYS 79 HA CYS 79 -2.527 -8.412 -0.929 542 HB2 CYS 79 HB2 CYS 79 -1.599 -6.144 0.834 543 HB3 CYS 79 HB1 CYS 79 -1.147 -6.463 -0.838 544 H THR 80 HN THR 80 -1.236 -10.058 -0.730 545 HA THR 80 HA THR 80 0.226 -10.465 1.794 546 HB THR 80 HB THR 80 -0.821 -12.456 -0.227 547 HG1 THR 80 HG1 THR 80 -1.422 -12.698 2.462 548 HG21 THR 80 HG21 THR 80 1.360 -13.203 0.554 549 HG22 THR 80 HG22 THR 80 0.081 -14.208 1.234 550 HG23 THR 80 HG23 THR 80 0.857 -12.976 2.229 551 H CYS 81 HN CYS 81 2.325 -9.928 1.576 552 HA CYS 81 HA CYS 81 3.569 -9.948 -1.034 553 HB2 CYS 81 HB2 CYS 81 4.983 -9.416 1.582 554 HB3 CYS 81 HB1 CYS 81 5.391 -8.819 -0.018 555 H LYS 82 HN LYS 82 4.890 -11.483 -1.817 556 HA LYS 82 HA LYS 82 4.786 -14.047 -0.594 557 HB2 LYS 82 HB2 LYS 82 5.518 -12.933 -3.216 558 HB3 LYS 82 HB1 LYS 82 6.327 -14.432 -2.779 559 HG2 LYS 82 HG2 LYS 82 4.299 -14.850 -4.049 560 HG3 LYS 82 HG1 LYS 82 4.178 -15.506 -2.421 561 HD2 LYS 82 HD2 LYS 82 2.100 -14.515 -2.806 562 HD3 LYS 82 HD1 LYS 82 2.973 -13.328 -1.837 563 HE2 LYS 82 HE2 LYS 82 1.893 -12.142 -3.580 564 HE3 LYS 82 HE1 LYS 82 3.610 -12.192 -3.986 565 HZ1 LYS 82 HZ1 LYS 82 2.262 -12.657 -5.915 566 HZ2 LYS 82 HZ2 LYS 82 1.488 -13.937 -5.117 567 HZ3 LYS 82 HZ3 LYS 82 3.138 -14.047 -5.491 568 H GLU 83 HN GLU 83 6.896 -15.396 -1.279 569 HA GLU 83 HA GLU 83 8.506 -15.522 0.831 570 HB2 GLU 83 HB2 GLU 83 9.337 -16.115 -1.997 571 HB3 GLU 83 HB1 GLU 83 10.150 -16.710 -0.560 572 HG2 GLU 83 HG2 GLU 83 8.138 -17.897 0.087 573 HG3 GLU 83 HG1 GLU 83 7.310 -17.297 -1.345 574 HA PRO 84 HA PRO 84 12.156 -13.005 -0.838 575 HB2 PRO 84 HB2 PRO 84 11.974 -11.443 -3.004 576 HB3 PRO 84 HB1 PRO 84 12.280 -13.177 -3.130 577 HG2 PRO 84 HG2 PRO 84 9.756 -11.664 -3.579 578 HG3 PRO 84 HG1 PRO 84 10.390 -13.073 -4.444 579 HD2 PRO 84 HD2 PRO 84 8.435 -13.158 -2.485 580 HD3 PRO 84 HD1 PRO 84 9.438 -14.527 -2.980 581 H THR 85 HN THR 85 9.193 -11.918 -0.208 582 HA THR 85 HA THR 85 10.123 -9.220 0.470 583 HB THR 85 HB THR 85 7.922 -8.355 0.038 584 HG1 THR 85 HG1 THR 85 7.191 -10.946 0.305 585 HG21 THR 85 HG21 THR 85 8.851 -10.184 -2.171 586 HG22 THR 85 HG22 THR 85 9.186 -8.457 -1.967 587 HG23 THR 85 HG23 THR 85 7.556 -8.996 -2.366 588 HA PRO 86 HA PRO 86 9.073 -11.739 4.260 589 HB2 PRO 86 HB2 PRO 86 11.267 -10.132 5.383 590 HB3 PRO 86 HB1 PRO 86 11.055 -11.883 5.389 591 HG2 PRO 86 HG2 PRO 86 12.913 -10.686 3.883 592 HG3 PRO 86 HG1 PRO 86 12.037 -12.123 3.311 593 HD2 PRO 86 HD2 PRO 86 11.622 -9.242 2.617 594 HD3 PRO 86 HD1 PRO 86 11.581 -10.674 1.573 595 H ASN 87 HN ASN 87 8.988 -8.556 3.340 596 HA ASN 87 HA ASN 87 7.702 -7.644 5.801 597 HB2 ASN 87 HB2 ASN 87 9.679 -5.972 4.260 598 HB3 ASN 87 HB1 ASN 87 8.989 -5.639 5.830 599 HD21 ASN 87 HD21 ASN 87 11.410 -7.243 4.071 600 HD22 ASN 87 HD22 ASN 87 12.302 -7.911 5.393 601 H ALA 88 HN ALA 88 6.806 -5.269 5.228 602 HA ALA 88 HA ALA 88 5.908 -5.210 2.443 603 HB1 ALA 88 HB1 ALA 88 4.197 -6.458 3.687 604 HB2 ALA 88 HB2 ALA 88 3.586 -4.928 3.055 605 HB3 ALA 88 HB3 ALA 88 3.995 -5.076 4.766 606 H TYR 89 HN TYR 89 5.299 -3.201 1.692 607 HA TYR 89 HA TYR 89 6.152 -0.905 3.248 608 HB2 TYR 89 HB2 TYR 89 4.776 -0.955 0.542 609 HB3 TYR 89 HB1 TYR 89 5.601 0.415 1.255 610 HD1 TYR 89 HD1 TYR 89 7.686 -2.346 1.888 611 HD2 TYR 89 HD2 TYR 89 6.356 0.180 -1.260 612 HE1 TYR 89 HE1 TYR 89 9.724 -2.839 0.615 613 HE2 TYR 89 HE2 TYR 89 8.383 -0.306 -2.536 614 HH TYR 89 HH TYR 89 10.373 -1.236 -2.504 615 H TYR 90 HN TYR 90 4.777 -0.388 4.843 616 HA TYR 90 HA TYR 90 2.915 0.085 6.023 617 HB2 TYR 90 HB2 TYR 90 2.368 1.208 3.516 618 HB3 TYR 90 HB1 TYR 90 0.913 0.312 3.930 619 HD1 TYR 90 HD1 TYR 90 2.522 3.387 4.256 620 HD2 TYR 90 HD2 TYR 90 0.147 0.648 6.473 621 HE1 TYR 90 HE1 TYR 90 1.891 5.186 5.785 622 HE2 TYR 90 HE2 TYR 90 -0.504 2.452 8.012 623 HH TYR 90 HH TYR 90 0.162 5.761 7.350 624 H GLU 91 HN GLU 91 0.287 -0.873 4.336 625 HA GLU 91 HA GLU 91 0.084 -3.184 6.065 626 HB2 GLU 91 HB2 GLU 91 -2.039 -2.285 4.141 627 HB3 GLU 91 HB1 GLU 91 -2.226 -3.131 5.670 628 HG2 GLU 91 HG2 GLU 91 -1.192 -0.935 6.661 629 HG3 GLU 91 HG1 GLU 91 -1.765 -0.244 5.139 630 H GLY 92 HN GLY 92 1.426 -2.900 3.124 631 HA2 GLY 92 HA2 GLY 92 1.914 -4.973 1.869 632 HA3 GLY 92 HA1 GLY 92 0.218 -5.403 2.086 633 H VAL 93 HN VAL 93 0.317 -2.182 1.699 634 HA VAL 93 HA VAL 93 -0.892 -2.056 -0.788 635 HB VAL 93 HB VAL 93 0.743 0.161 0.488 636 HG11 VAL 93 HG11 VAL 93 -0.012 0.651 -1.740 637 HG12 VAL 93 HG12 VAL 93 -0.904 1.623 -0.568 638 HG13 VAL 93 HG13 VAL 93 -1.664 0.212 -1.307 639 HG21 VAL 93 HG21 VAL 93 -0.707 -0.755 2.197 640 HG22 VAL 93 HG22 VAL 93 -2.095 -0.655 1.112 641 HG23 VAL 93 HG23 VAL 93 -1.312 0.820 1.681 642 H PHE 94 HN PHE 94 2.446 -1.952 0.160 643 HA PHE 94 HA PHE 94 3.179 -2.695 -2.518 644 HB2 PHE 94 HB2 PHE 94 5.338 -1.068 -1.914 645 HB3 PHE 94 HB1 PHE 94 4.120 -0.766 -3.129 646 HD1 PHE 94 HD1 PHE 94 2.439 -0.204 -0.071 647 HD2 PHE 94 HD2 PHE 94 5.457 1.458 -2.563 648 HE1 PHE 94 HE1 PHE 94 2.035 1.996 0.921 649 HE2 PHE 94 HE2 PHE 94 5.053 3.667 -1.572 650 HZ PHE 94 HZ PHE 94 3.338 3.940 0.174 651 H CYS 95 HN CYS 95 5.383 -3.713 -2.574 652 HA CYS 95 HA CYS 95 6.553 -4.374 0.018 653 HB2 CYS 95 HB2 CYS 95 6.033 -6.746 -1.737 654 HB3 CYS 95 HB1 CYS 95 6.232 -6.665 0.009 655 H SER 96 HN SER 96 8.724 -5.376 -0.220 656 HA SER 96 HA SER 96 9.913 -4.703 -2.836 657 HB2 SER 96 HB2 SER 96 10.769 -3.570 -0.707 658 HB3 SER 96 HB1 SER 96 11.444 -5.137 -0.275 659 HG SER 96 HG SER 96 11.988 -3.755 -2.702 660 H SER 97 HN SER 97 10.577 -6.301 -4.088 661 HA SER 97 HA SER 97 10.445 -9.005 -2.995 662 HB2 SER 97 HB2 SER 97 9.179 -8.084 -5.052 663 HB3 SER 97 HB1 SER 97 10.691 -8.343 -5.901 664 HG SER 97 HG SER 97 10.462 -10.457 -5.742 665 H SER 98 HN SER 98 12.778 -7.171 -2.763 666 HA SER 98 HA SER 98 14.760 -8.978 -3.967 667 HB2 SER 98 HB2 SER 98 15.065 -6.012 -3.463 668 HB3 SER 98 HB1 SER 98 16.311 -7.075 -4.118 669 HG SER 98 HG SER 98 13.986 -6.078 -5.316 670 H SER 99 HN SER 99 13.703 -9.575 -1.477 671 HA SER 99 HA SER 99 16.051 -9.066 0.217 672 HB2 SER 99 HB2 SER 99 13.994 -8.087 1.162 673 HB3 SER 99 HB1 SER 99 13.267 -9.682 1.176 674 HG SER 99 HG SER 99 15.724 -9.545 2.396 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 16.299 -1.812 -5.077 2 H2 GLY 1 HT2 GLY 1 17.353 -3.134 -5.141 3 H3 GLY 1 HT3 GLY 1 17.346 -2.133 -3.772 4 HA2 GLY 1 HA2 GLY 1 15.243 -4.029 -4.663 5 HA3 GLY 1 HA1 GLY 1 14.966 -2.814 -3.422 6 H VAL 2 HN VAL 2 14.593 -4.378 -1.813 7 HA VAL 2 HA VAL 2 16.473 -6.339 -1.014 8 HB VAL 2 HB VAL 2 17.689 -4.063 -0.628 9 HG11 VAL 2 HG11 VAL 2 17.192 -3.052 1.585 10 HG12 VAL 2 HG12 VAL 2 15.744 -4.065 1.674 11 HG13 VAL 2 HG13 VAL 2 15.899 -2.855 0.400 12 HG21 VAL 2 HG21 VAL 2 18.192 -6.425 0.362 13 HG22 VAL 2 HG22 VAL 2 17.631 -5.695 1.870 14 HG23 VAL 2 HG23 VAL 2 18.999 -5.000 1.008 15 H ASP 3 HN ASP 3 16.087 -6.584 1.596 16 HA ASP 3 HA ASP 3 13.530 -7.296 2.211 17 HB2 ASP 3 HB2 ASP 3 14.199 -6.697 4.639 18 HB3 ASP 3 HB1 ASP 3 15.136 -7.912 3.783 19 HA PRO 4 HA PRO 4 11.373 -3.519 1.539 20 HB2 PRO 4 HB2 PRO 4 9.050 -4.591 2.697 21 HB3 PRO 4 HB1 PRO 4 9.459 -4.476 0.995 22 HG2 PRO 4 HG2 PRO 4 9.649 -6.754 2.836 23 HG3 PRO 4 HG1 PRO 4 9.473 -6.748 1.078 24 HD2 PRO 4 HD2 PRO 4 11.754 -7.421 2.358 25 HD3 PRO 4 HD1 PRO 4 11.727 -6.684 0.750 26 H LYS 5 HN LYS 5 12.277 -4.479 4.684 27 HA LYS 5 HA LYS 5 10.423 -2.758 6.060 28 HB2 LYS 5 HB2 LYS 5 11.999 -3.104 8.045 29 HB3 LYS 5 HB1 LYS 5 11.077 -4.462 7.450 30 HG2 LYS 5 HG2 LYS 5 13.285 -5.199 7.982 31 HG3 LYS 5 HG1 LYS 5 13.101 -5.230 6.231 32 HD2 LYS 5 HD2 LYS 5 14.444 -3.320 5.949 33 HD3 LYS 5 HD1 LYS 5 14.332 -2.888 7.658 34 HE2 LYS 5 HE2 LYS 5 15.790 -4.600 8.302 35 HE3 LYS 5 HE1 LYS 5 15.582 -5.470 6.784 36 HZ1 LYS 5 HZ1 LYS 5 16.951 -2.843 7.048 37 HZ2 LYS 5 HZ2 LYS 5 16.818 -3.788 5.641 38 HZ3 LYS 5 HZ3 LYS 5 17.737 -4.348 6.949 39 H HIS 6 HN HIS 6 12.422 -1.597 4.009 40 HA HIS 6 HA HIS 6 14.079 0.095 5.630 41 HB2 HIS 6 HB2 HIS 6 14.514 1.214 3.298 42 HB3 HIS 6 HB1 HIS 6 15.222 -0.348 3.704 43 HD1 HIS 6 HD1 HIS 6 14.039 -2.466 2.595 44 HD2 HIS 6 HD2 HIS 6 12.876 1.249 1.154 45 HE1 HIS 6 HE1 HIS 6 12.750 -2.929 0.492 46 HE2 HIS 6 HE2 HIS 6 11.979 -0.683 -0.322 47 H VAL 7 HN VAL 7 10.989 0.315 5.486 48 HA VAL 7 HA VAL 7 9.404 1.905 5.744 49 HB VAL 7 HB VAL 7 9.908 3.528 7.463 50 HG11 VAL 7 HG11 VAL 7 10.821 1.961 9.156 51 HG12 VAL 7 HG12 VAL 7 11.232 0.847 7.847 52 HG13 VAL 7 HG13 VAL 7 9.546 1.267 8.154 53 HG21 VAL 7 HG21 VAL 7 12.072 4.343 6.660 54 HG22 VAL 7 HG22 VAL 7 12.810 2.794 7.066 55 HG23 VAL 7 HG23 VAL 7 12.169 3.824 8.344 56 H CYS 8 HN CYS 8 9.796 4.772 6.194 57 HA CYS 8 HA CYS 8 10.421 5.758 3.506 58 HB2 CYS 8 HB2 CYS 8 8.171 5.502 3.140 59 HB3 CYS 8 HB1 CYS 8 7.779 5.650 4.836 60 H VAL 9 HN VAL 9 11.094 7.771 3.386 61 HA VAL 9 HA VAL 9 9.876 9.709 5.192 62 HB VAL 9 HB VAL 9 12.152 10.976 4.982 63 HG11 VAL 9 HG11 VAL 9 11.960 8.523 6.728 64 HG12 VAL 9 HG12 VAL 9 11.291 10.111 7.118 65 HG13 VAL 9 HG13 VAL 9 13.038 9.891 6.997 66 HG21 VAL 9 HG21 VAL 9 12.906 8.120 4.413 67 HG22 VAL 9 HG22 VAL 9 14.074 9.375 4.870 68 HG23 VAL 9 HG23 VAL 9 13.156 9.520 3.363 69 H ASP 10 HN ASP 10 8.525 10.292 3.488 70 HA ASP 10 HA ASP 10 9.842 11.562 1.210 71 HB2 ASP 10 HB2 ASP 10 9.093 9.469 0.368 72 HB3 ASP 10 HB1 ASP 10 7.536 9.637 1.147 73 H THR 11 HN THR 11 8.445 13.118 0.105 74 HA THR 11 HA THR 11 6.867 14.700 -0.173 75 HB THR 11 HB THR 11 5.596 12.374 1.138 76 HG1 THR 11 HG1 THR 11 5.809 11.963 -0.932 77 HG21 THR 11 HG21 THR 11 3.347 13.275 0.718 78 HG22 THR 11 HG22 THR 11 4.068 14.844 0.357 79 HG23 THR 11 HG23 THR 11 4.203 14.164 1.976 80 H ARG 12 HN ARG 12 5.294 16.166 0.830 81 HA ARG 12 HA ARG 12 6.529 17.377 3.130 82 HB2 ARG 12 HB2 ARG 12 4.232 18.330 1.476 83 HB3 ARG 12 HB1 ARG 12 5.131 19.284 2.629 84 HG2 ARG 12 HG2 ARG 12 5.941 19.957 0.564 85 HG3 ARG 12 HG1 ARG 12 7.160 18.827 1.148 86 HD2 ARG 12 HD2 ARG 12 6.385 17.120 -0.284 87 HD3 ARG 12 HD1 ARG 12 4.939 18.035 -0.713 88 HE ARG 12 HE ARG 12 6.630 19.666 -1.728 89 HH11 ARG 12 HH11 ARG 12 7.067 16.193 -1.600 90 HH12 ARG 12 HH12 ARG 12 8.065 16.135 -3.014 91 HH21 ARG 12 HH21 ARG 12 7.939 19.588 -3.601 92 HH22 ARG 12 HH22 ARG 12 8.559 18.060 -4.162 93 H ASP 13 HN ASP 13 3.396 16.235 2.070 94 HA ASP 13 HA ASP 13 2.804 15.250 4.732 95 HB2 ASP 13 HB2 ASP 13 1.929 17.574 4.777 96 HB3 ASP 13 HB1 ASP 13 0.915 17.200 3.390 97 H ILE 14 HN ILE 14 2.657 13.188 4.012 98 HA ILE 14 HA ILE 14 1.380 12.396 1.608 99 HB ILE 14 HB ILE 14 2.114 10.817 4.081 100 HG12 ILE 14 HG12 ILE 14 3.499 10.036 1.729 101 HG13 ILE 14 HG11 ILE 14 3.543 11.793 1.808 102 HG21 ILE 14 HG21 ILE 14 1.713 8.784 2.807 103 HG22 ILE 14 HG22 ILE 14 1.107 9.742 1.456 104 HG23 ILE 14 HG23 ILE 14 0.228 9.724 2.983 105 HD11 ILE 14 HD11 ILE 14 4.422 11.605 4.116 106 HD12 ILE 14 HD12 ILE 14 5.483 10.920 2.880 107 HD13 ILE 14 HD13 ILE 14 4.499 9.853 3.890 108 HA PRO 15 HA PRO 15 -2.833 13.012 2.364 109 HB2 PRO 15 HB2 PRO 15 -3.122 10.307 1.133 110 HB3 PRO 15 HB1 PRO 15 -3.969 11.807 0.753 111 HG2 PRO 15 HG2 PRO 15 -2.049 11.020 -0.833 112 HG3 PRO 15 HG1 PRO 15 -2.091 12.726 -0.341 113 HD2 PRO 15 HD2 PRO 15 -0.408 10.485 0.692 114 HD3 PRO 15 HD1 PRO 15 0.070 12.138 0.311 115 H LYS 16 HN LYS 16 -4.695 12.243 3.566 116 HA LYS 16 HA LYS 16 -3.938 11.295 6.057 117 HB2 LYS 16 HB2 LYS 16 -5.876 12.726 5.512 118 HB3 LYS 16 HB1 LYS 16 -6.700 11.308 4.884 119 HG2 LYS 16 HG2 LYS 16 -6.440 10.272 7.138 120 HG3 LYS 16 HG1 LYS 16 -5.847 11.836 7.713 121 HD2 LYS 16 HD2 LYS 16 -7.922 12.870 6.902 122 HD3 LYS 16 HD1 LYS 16 -8.515 11.270 6.460 123 HE2 LYS 16 HE2 LYS 16 -7.819 12.232 9.236 124 HE3 LYS 16 HE1 LYS 16 -9.435 11.932 8.601 125 HZ1 LYS 16 HZ1 LYS 16 -8.630 10.117 9.998 126 HZ2 LYS 16 HZ2 LYS 16 -7.328 9.864 8.943 127 HZ3 LYS 16 HZ3 LYS 16 -8.915 9.590 8.410 128 H ASN 17 HN ASN 17 -5.907 9.652 3.633 129 HA ASN 17 HA ASN 17 -5.798 7.200 5.187 130 HB2 ASN 17 HB2 ASN 17 -7.214 7.838 2.580 131 HB3 ASN 17 HB1 ASN 17 -7.348 6.326 3.455 132 HD21 ASN 17 HD21 ASN 17 -7.227 9.424 5.036 133 HD22 ASN 17 HD22 ASN 17 -8.867 9.434 5.570 134 H ALA 18 HN ALA 18 -3.436 8.312 4.108 135 HA ALA 18 HA ALA 18 -2.687 6.301 2.091 136 HB1 ALA 18 HB1 ALA 18 -2.928 8.490 1.018 137 HB2 ALA 18 HB2 ALA 18 -1.246 7.956 1.028 138 HB3 ALA 18 HB3 ALA 18 -1.789 9.185 2.175 139 H GLY 19 HN GLY 19 -0.402 5.953 1.995 140 HA2 GLY 19 HA2 GLY 19 1.105 6.706 4.373 141 HA3 GLY 19 HA1 GLY 19 0.884 4.987 4.050 142 H CYS 20 HN CYS 20 3.356 6.490 4.117 143 HA CYS 20 HA CYS 20 4.103 6.467 1.282 144 HB2 CYS 20 HB2 CYS 20 4.589 8.599 2.047 145 HB3 CYS 20 HB1 CYS 20 5.078 8.028 3.637 146 H PHE 21 HN PHE 21 5.933 5.495 0.638 147 HA PHE 21 HA PHE 21 7.517 4.210 2.673 148 HB2 PHE 21 HB2 PHE 21 5.863 2.516 1.952 149 HB3 PHE 21 HB1 PHE 21 6.521 2.639 0.317 150 HD1 PHE 21 HD1 PHE 21 8.765 1.907 -0.165 151 HD2 PHE 21 HD2 PHE 21 7.091 1.470 3.705 152 HE1 PHE 21 HE1 PHE 21 10.558 0.382 0.431 153 HE2 PHE 21 HE2 PHE 21 8.902 -0.072 4.316 154 HZ PHE 21 HZ PHE 21 10.656 -0.603 2.669 155 H ARG 22 HN ARG 22 9.616 4.043 2.181 156 HA ARG 22 HA ARG 22 10.456 5.261 -0.361 157 HB2 ARG 22 HB2 ARG 22 11.021 6.759 1.401 158 HB3 ARG 22 HB1 ARG 22 11.609 5.455 2.411 159 HG2 ARG 22 HG2 ARG 22 13.483 5.120 0.968 160 HG3 ARG 22 HG1 ARG 22 12.891 6.360 -0.138 161 HD2 ARG 22 HD2 ARG 22 12.924 7.588 2.331 162 HD3 ARG 22 HD1 ARG 22 14.390 6.606 2.318 163 HE ARG 22 HE ARG 22 13.905 8.114 -0.079 164 HH11 ARG 22 HH11 ARG 22 15.550 7.949 3.002 165 HH12 ARG 22 HH12 ARG 22 16.564 9.323 2.698 166 HH21 ARG 22 HH21 ARG 22 15.237 9.927 -0.514 167 HH22 ARG 22 HH22 ARG 22 16.402 10.443 0.671 168 H ASP 23 HN ASP 23 11.372 3.817 -1.659 169 HA ASP 23 HA ASP 23 11.993 1.229 -0.511 170 HB2 ASP 23 HB2 ASP 23 12.082 0.400 -2.787 171 HB3 ASP 23 HB1 ASP 23 10.610 1.326 -2.523 172 H ASP 24 HN ASP 24 13.860 0.107 -1.963 173 HA ASP 24 HA ASP 24 16.068 1.061 -0.431 174 HB2 ASP 24 HB2 ASP 24 15.674 -1.281 -0.490 175 HB3 ASP 24 HB1 ASP 24 15.687 -1.299 -2.246 176 H ASP 25 HN ASP 25 15.088 1.440 -3.673 177 HA ASP 25 HA ASP 25 17.712 1.868 -4.755 178 HB2 ASP 25 HB2 ASP 25 14.912 2.267 -5.793 179 HB3 ASP 25 HB1 ASP 25 16.316 2.811 -6.700 180 H GLY 26 HN GLY 26 15.848 3.608 -2.675 181 HA2 GLY 26 HA2 GLY 26 16.563 5.693 -1.782 182 HA3 GLY 26 HA1 GLY 26 17.281 6.086 -3.342 183 H THR 27 HN THR 27 14.461 4.738 -4.057 184 HA THR 27 HA THR 27 13.206 7.170 -4.840 185 HB THR 27 HB THR 27 12.232 4.329 -4.796 186 HG1 THR 27 HG1 THR 27 13.174 4.111 -6.734 187 HG21 THR 27 HG21 THR 27 10.348 5.832 -5.020 188 HG22 THR 27 HG22 THR 27 10.651 5.021 -6.556 189 HG23 THR 27 HG23 THR 27 11.157 6.697 -6.330 190 H GLU 28 HN GLU 28 11.190 7.965 -4.156 191 HA GLU 28 HA GLU 28 10.176 6.978 -1.576 192 HB2 GLU 28 HB2 GLU 28 10.673 9.844 -2.407 193 HB3 GLU 28 HB1 GLU 28 9.802 9.364 -0.955 194 HG2 GLU 28 HG2 GLU 28 11.680 8.749 0.141 195 HG3 GLU 28 HG1 GLU 28 12.481 8.195 -1.321 196 H GLU 29 HN GLU 29 8.036 6.769 -1.467 197 HA GLU 29 HA GLU 29 6.326 7.949 -3.509 198 HB2 GLU 29 HB2 GLU 29 7.226 5.777 -4.426 199 HB3 GLU 29 HB1 GLU 29 6.434 4.962 -3.085 200 HG2 GLU 29 HG2 GLU 29 5.016 4.742 -4.949 201 HG3 GLU 29 HG1 GLU 29 4.275 5.928 -3.881 202 H TRP 30 HN TRP 30 4.079 7.691 -2.997 203 HA TRP 30 HA TRP 30 3.513 6.349 -0.480 204 HB2 TRP 30 HB2 TRP 30 1.992 8.111 0.259 205 HB3 TRP 30 HB1 TRP 30 3.632 8.723 0.105 206 HD1 TRP 30 HD TRP 30 3.964 10.812 -1.383 207 HE1 TRP 30 HE1 TRP 30 2.410 12.241 -2.856 208 HE3 TRP 30 HE3 TRP 30 -0.144 7.790 -1.350 209 HZ2 TRP 30 HZ2 TRP 30 -0.240 12.099 -3.849 210 HZ3 TRP 30 HZ3 TRP 30 -2.155 8.520 -2.578 211 HH2 TRP 30 HH TRP 30 -2.188 10.630 -3.803 212 H ARG 31 HN ARG 31 1.277 5.780 -0.262 213 HA ARG 31 HA ARG 31 -0.219 5.552 -2.763 214 HB2 ARG 31 HB2 ARG 31 0.684 3.160 -1.153 215 HB3 ARG 31 HB1 ARG 31 -0.515 3.103 -2.434 216 HG2 ARG 31 HG2 ARG 31 1.286 4.002 -3.969 217 HG3 ARG 31 HG1 ARG 31 2.418 3.671 -2.656 218 HD2 ARG 31 HD2 ARG 31 1.632 1.302 -2.661 219 HD3 ARG 31 HD1 ARG 31 0.670 1.674 -4.092 220 HE ARG 31 HE ARG 31 3.430 2.380 -4.381 221 HH11 ARG 31 HH11 ARG 31 1.263 -0.372 -4.468 222 HH12 ARG 31 HH12 ARG 31 2.160 -1.190 -5.708 223 HH21 ARG 31 HH21 ARG 31 4.587 1.317 -6.034 224 HH22 ARG 31 HH22 ARG 31 4.050 -0.237 -6.607 225 H CYS 32 HN CYS 32 -2.201 3.974 -2.086 226 HA CYS 32 HA CYS 32 -3.384 5.388 0.209 227 HB2 CYS 32 HB2 CYS 32 -4.753 4.119 -2.189 228 HB3 CYS 32 HB1 CYS 32 -5.551 5.023 -0.905 229 H LEU 33 HN LEU 33 -4.065 4.219 1.842 230 HA LEU 33 HA LEU 33 -3.043 1.654 2.156 231 HB2 LEU 33 HB2 LEU 33 -5.266 2.816 3.794 232 HB3 LEU 33 HB1 LEU 33 -4.094 1.632 4.298 233 HG LEU 33 HG LEU 33 -3.843 4.588 4.067 234 HD11 LEU 33 HD11 LEU 33 -2.716 4.311 6.204 235 HD12 LEU 33 HD12 LEU 33 -2.863 2.553 6.054 236 HD13 LEU 33 HD13 LEU 33 -4.312 3.559 6.204 237 HD21 LEU 33 HD21 LEU 33 -2.022 3.556 2.631 238 HD22 LEU 33 HD22 LEU 33 -1.370 2.869 4.125 239 HD23 LEU 33 HD23 LEU 33 -1.513 4.626 3.936 240 H LEU 34 HN LEU 34 -4.297 -0.259 2.794 241 HA LEU 34 HA LEU 34 -5.612 -1.120 0.532 242 HB2 LEU 34 HB2 LEU 34 -5.488 -2.392 3.250 243 HB3 LEU 34 HB1 LEU 34 -5.900 -3.207 1.750 244 HG LEU 34 HG LEU 34 -3.251 -1.929 2.404 245 HD11 LEU 34 HD11 LEU 34 -4.083 -4.804 2.117 246 HD12 LEU 34 HD12 LEU 34 -3.543 -3.989 3.591 247 HD13 LEU 34 HD13 LEU 34 -2.419 -4.238 2.256 248 HD21 LEU 34 HD21 LEU 34 -2.502 -2.819 0.268 249 HD22 LEU 34 HD22 LEU 34 -3.827 -1.673 0.050 250 HD23 LEU 34 HD23 LEU 34 -4.131 -3.407 -0.067 251 H GLY 35 HN GLY 35 -7.625 -1.397 -0.033 252 HA2 GLY 35 HA2 GLY 35 -9.944 -1.566 0.202 253 HA3 GLY 35 HA1 GLY 35 -9.790 -1.072 1.882 254 H TYR 36 HN TYR 36 -7.916 1.018 0.254 255 HA TYR 36 HA TYR 36 -10.089 2.986 0.141 256 HB2 TYR 36 HB2 TYR 36 -7.126 3.445 0.518 257 HB3 TYR 36 HB1 TYR 36 -8.373 4.685 0.511 258 HD1 TYR 36 HD1 TYR 36 -6.736 4.785 2.705 259 HD2 TYR 36 HD2 TYR 36 -9.995 2.140 2.107 260 HE1 TYR 36 HE1 TYR 36 -7.001 4.545 5.140 261 HE2 TYR 36 HE2 TYR 36 -10.257 1.883 4.534 262 HH TYR 36 HH TYR 36 -8.763 3.933 6.762 263 H LYS 37 HN LYS 37 -9.007 4.981 -1.256 264 HA LYS 37 HA LYS 37 -8.089 3.938 -3.811 265 HB2 LYS 37 HB2 LYS 37 -9.967 4.947 -5.007 266 HB3 LYS 37 HB1 LYS 37 -10.518 3.699 -3.914 267 HG2 LYS 37 HG2 LYS 37 -11.122 5.463 -2.291 268 HG3 LYS 37 HG1 LYS 37 -10.669 6.673 -3.495 269 HD2 LYS 37 HD2 LYS 37 -12.335 5.607 -5.036 270 HD3 LYS 37 HD1 LYS 37 -12.861 4.624 -3.674 271 HE2 LYS 37 HE2 LYS 37 -13.492 6.566 -2.424 272 HE3 LYS 37 HE1 LYS 37 -12.831 7.639 -3.659 273 HZ1 LYS 37 HZ1 LYS 37 -15.215 7.493 -3.866 274 HZ2 LYS 37 HZ2 LYS 37 -15.155 5.805 -3.981 275 HZ3 LYS 37 HZ3 LYS 37 -14.496 6.762 -5.213 276 H LYS 38 HN LYS 38 -7.890 5.808 -5.393 277 HA LYS 38 HA LYS 38 -6.636 8.057 -4.026 278 HB2 LYS 38 HB2 LYS 38 -5.767 6.761 -6.163 279 HB3 LYS 38 HB1 LYS 38 -6.854 7.857 -7.008 280 HG2 LYS 38 HG2 LYS 38 -4.760 8.905 -7.054 281 HG3 LYS 38 HG1 LYS 38 -5.662 9.738 -5.785 282 HD2 LYS 38 HD2 LYS 38 -3.776 9.365 -4.591 283 HD3 LYS 38 HD1 LYS 38 -4.527 7.780 -4.332 284 HE2 LYS 38 HE2 LYS 38 -3.303 7.039 -6.439 285 HE3 LYS 38 HE1 LYS 38 -2.387 8.540 -6.309 286 HZ1 LYS 38 HZ1 LYS 38 -1.074 6.997 -5.228 287 HZ2 LYS 38 HZ2 LYS 38 -2.391 6.214 -4.504 288 HZ3 LYS 38 HZ3 LYS 38 -1.902 7.735 -3.944 289 H GLY 39 HN GLY 39 -7.472 10.056 -3.907 290 HA2 GLY 39 HA2 GLY 39 -10.230 10.318 -4.833 291 HA3 GLY 39 HA1 GLY 39 -9.449 11.310 -3.614 292 H GLU 40 HN GLU 40 -8.354 13.131 -4.214 293 HA GLU 40 HA GLU 40 -9.112 14.110 -6.851 294 HB2 GLU 40 HB2 GLU 40 -8.677 16.331 -5.898 295 HB3 GLU 40 HB1 GLU 40 -9.815 15.405 -4.929 296 HG2 GLU 40 HG2 GLU 40 -7.865 14.786 -3.446 297 HG3 GLU 40 HG1 GLU 40 -6.932 15.993 -4.332 298 H GLY 41 HN GLY 41 -7.159 12.439 -7.288 299 HA2 GLY 41 HA2 GLY 41 -5.282 12.577 -8.689 300 HA3 GLY 41 HA1 GLY 41 -4.995 14.209 -8.105 301 H ASN 42 HN ASN 42 -4.324 14.331 -5.744 302 HA ASN 42 HA ASN 42 -2.455 12.119 -5.223 303 HB2 ASN 42 HB2 ASN 42 -0.907 13.726 -4.226 304 HB3 ASN 42 HB1 ASN 42 -1.253 14.142 -5.904 305 HD21 ASN 42 HD21 ASN 42 -0.228 15.818 -3.801 306 HD22 ASN 42 HD22 ASN 42 -1.355 17.117 -3.593 307 H THR 43 HN THR 43 -4.956 11.910 -4.192 308 HA THR 43 HA THR 43 -4.336 12.169 -1.355 309 HB THR 43 HB THR 43 -6.764 12.600 -0.873 310 HG1 THR 43 HG1 THR 43 -8.028 13.400 -2.487 311 HG21 THR 43 HG21 THR 43 -5.103 14.320 -0.565 312 HG22 THR 43 HG22 THR 43 -6.560 15.035 -1.262 313 HG23 THR 43 HG23 THR 43 -5.154 14.722 -2.281 314 H CYS 44 HN CYS 44 -5.413 10.698 -0.002 315 HA CYS 44 HA CYS 44 -6.550 8.415 -1.450 316 HB2 CYS 44 HB2 CYS 44 -4.814 8.362 1.020 317 HB3 CYS 44 HB1 CYS 44 -5.578 6.954 0.275 318 H VAL 45 HN VAL 45 -8.327 7.535 -0.695 319 HA VAL 45 HA VAL 45 -9.602 8.637 1.686 320 HB VAL 45 HB VAL 45 -11.709 8.995 0.381 321 HG11 VAL 45 HG11 VAL 45 -9.389 10.704 -0.527 322 HG12 VAL 45 HG12 VAL 45 -10.235 10.875 1.012 323 HG13 VAL 45 HG13 VAL 45 -11.090 11.171 -0.507 324 HG21 VAL 45 HG21 VAL 45 -11.154 7.604 -1.563 325 HG22 VAL 45 HG22 VAL 45 -9.876 8.733 -2.015 326 HG23 VAL 45 HG23 VAL 45 -11.561 9.247 -2.057 327 H GLU 46 HN GLU 46 -11.315 7.383 2.442 328 HA GLU 46 HA GLU 46 -10.989 4.618 2.100 329 HB2 GLU 46 HB2 GLU 46 -12.971 6.367 3.466 330 HB3 GLU 46 HB1 GLU 46 -13.370 4.667 3.250 331 HG2 GLU 46 HG2 GLU 46 -11.233 4.091 4.392 332 HG3 GLU 46 HG1 GLU 46 -11.014 5.808 4.735 333 H ASN 47 HN ASN 47 -11.409 3.628 0.256 334 HA ASN 47 HA ASN 47 -13.323 4.504 -1.638 335 HB2 ASN 47 HB2 ASN 47 -11.398 3.302 -2.403 336 HB3 ASN 47 HB1 ASN 47 -11.749 1.941 -1.355 337 HD21 ASN 47 HD21 ASN 47 -11.425 0.813 -3.382 338 HD22 ASN 47 HD22 ASN 47 -12.787 0.561 -4.413 339 H ASN 48 HN ASN 48 -13.261 1.894 0.726 340 HA ASN 48 HA ASN 48 -14.896 0.907 1.929 341 HB2 ASN 48 HB2 ASN 48 -16.619 3.094 0.771 342 HB3 ASN 48 HB1 ASN 48 -17.171 1.953 1.994 343 HD21 ASN 48 HD21 ASN 48 -14.612 1.871 3.374 344 HD22 ASN 48 HD22 ASN 48 -14.449 3.368 4.211 345 H ASN 49 HN ASN 49 -15.193 1.193 -1.446 346 HA ASN 49 HA ASN 49 -16.461 -1.470 -1.427 347 HB2 ASN 49 HB2 ASN 49 -17.966 0.224 -2.402 348 HB3 ASN 49 HB1 ASN 49 -16.695 0.684 -3.522 349 HD21 ASN 49 HD21 ASN 49 -17.543 -2.629 -2.597 350 HD22 ASN 49 HD22 ASN 49 -18.093 -3.099 -4.170 351 HA PRO 50 HA PRO 50 -12.153 -1.231 -3.406 352 HB2 PRO 50 HB2 PRO 50 -10.933 -2.969 -1.691 353 HB3 PRO 50 HB1 PRO 50 -10.864 -1.220 -1.564 354 HG2 PRO 50 HG2 PRO 50 -12.494 -3.158 -0.034 355 HG3 PRO 50 HG1 PRO 50 -11.812 -1.608 0.476 356 HD2 PRO 50 HD2 PRO 50 -14.435 -2.003 -0.143 357 HD3 PRO 50 HD1 PRO 50 -13.607 -0.448 -0.267 358 H THR 51 HN THR 51 -11.862 -2.498 -5.045 359 HA THR 51 HA THR 51 -12.703 -5.308 -4.877 360 HB THR 51 HB THR 51 -14.163 -3.973 -6.373 361 HG1 THR 51 HG1 THR 51 -14.187 -5.543 -7.887 362 HG21 THR 51 HG21 THR 51 -11.599 -3.527 -7.924 363 HG22 THR 51 HG22 THR 51 -12.605 -2.295 -7.152 364 HG23 THR 51 HG23 THR 51 -13.221 -3.191 -8.539 365 H CYS 52 HN CYS 52 -11.329 -6.816 -5.945 366 HA CYS 52 HA CYS 52 -8.603 -5.874 -6.331 367 HB2 CYS 52 HB2 CYS 52 -9.298 -8.108 -5.211 368 HB3 CYS 52 HB1 CYS 52 -9.629 -8.666 -6.845 369 H ASP 53 HN ASP 53 -7.717 -5.590 -8.315 370 HA ASP 53 HA ASP 53 -8.305 -6.129 -10.845 371 HB2 ASP 53 HB2 ASP 53 -10.736 -5.809 -10.382 372 HB3 ASP 53 HB1 ASP 53 -10.411 -4.147 -9.920 373 H ILE 54 HN ILE 54 -8.770 -3.225 -8.873 374 HA ILE 54 HA ILE 54 -7.844 -1.370 -10.715 375 HB ILE 54 HB ILE 54 -7.845 -1.205 -7.702 376 HG12 ILE 54 HG12 ILE 54 -9.921 -0.234 -9.673 377 HG13 ILE 54 HG11 ILE 54 -10.020 -1.771 -8.813 378 HG21 ILE 54 HG21 ILE 54 -7.627 0.973 -9.772 379 HG22 ILE 54 HG22 ILE 54 -6.456 0.551 -8.512 380 HG23 ILE 54 HG23 ILE 54 -8.016 1.257 -8.074 381 HD11 ILE 54 HD11 ILE 54 -11.385 -0.045 -7.765 382 HD12 ILE 54 HD12 ILE 54 -9.950 0.957 -7.534 383 HD13 ILE 54 HD13 ILE 54 -10.096 -0.587 -6.691 384 H ASN 55 HN ASN 55 -6.080 -1.353 -7.762 385 HA ASN 55 HA ASN 55 -3.609 -1.896 -9.214 386 HB2 ASN 55 HB2 ASN 55 -3.763 0.281 -8.033 387 HB3 ASN 55 HB1 ASN 55 -3.953 -0.579 -6.525 388 HD21 ASN 55 HD21 ASN 55 -2.052 0.295 -5.691 389 HD22 ASN 55 HD22 ASN 55 -0.506 -0.218 -6.246 390 H ASN 56 HN ASN 56 -4.993 -4.039 -8.900 391 HA ASN 56 HA ASN 56 -5.059 -6.143 -7.981 392 HB2 ASN 56 HB2 ASN 56 -2.901 -5.621 -5.989 393 HB3 ASN 56 HB1 ASN 56 -3.122 -7.013 -7.032 394 HD21 ASN 56 HD21 ASN 56 -0.966 -4.979 -6.300 395 HD22 ASN 56 HD22 ASN 56 -0.256 -4.621 -7.819 396 H GLY 57 HN GLY 57 -6.599 -3.975 -6.948 397 HA2 GLY 57 HA2 GLY 57 -8.186 -3.900 -5.231 398 HA3 GLY 57 HA1 GLY 57 -7.195 -5.023 -4.309 399 H GLY 58 HN GLY 58 -4.963 -2.932 -5.236 400 HA2 GLY 58 HA2 GLY 58 -4.555 -0.678 -4.299 401 HA3 GLY 58 HA1 GLY 58 -5.360 -1.252 -2.840 402 H CYS 59 HN CYS 59 -3.447 -3.462 -4.515 403 HA CYS 59 HA CYS 59 -1.465 -3.561 -2.360 404 HB2 CYS 59 HB2 CYS 59 -2.061 -5.705 -4.396 405 HB3 CYS 59 HB1 CYS 59 -1.230 -5.873 -2.853 406 H ASP 60 HN ASP 60 0.497 -4.819 -3.263 407 HA ASP 60 HA ASP 60 1.574 -3.367 -5.571 408 HB2 ASP 60 HB2 ASP 60 2.754 -3.588 -3.327 409 HB3 ASP 60 HB1 ASP 60 2.878 -5.308 -3.644 410 HA PRO 61 HA PRO 61 0.658 -6.766 -8.199 411 HB2 PRO 61 HB2 PRO 61 3.341 -6.393 -9.416 412 HB3 PRO 61 HB1 PRO 61 1.747 -6.328 -10.168 413 HG2 PRO 61 HG2 PRO 61 3.219 -4.127 -9.698 414 HG3 PRO 61 HG1 PRO 61 1.449 -4.121 -9.663 415 HD2 PRO 61 HD2 PRO 61 3.383 -4.007 -7.422 416 HD3 PRO 61 HD1 PRO 61 1.746 -3.352 -7.544 417 H THR 62 HN THR 62 3.505 -6.663 -6.274 418 HA THR 62 HA THR 62 4.144 -9.466 -6.690 419 HB THR 62 HB THR 62 6.021 -9.062 -5.212 420 HG1 THR 62 HG1 THR 62 5.156 -6.380 -4.832 421 HG21 THR 62 HG21 THR 62 7.092 -7.171 -6.398 422 HG22 THR 62 HG22 THR 62 5.515 -6.727 -7.064 423 HG23 THR 62 HG23 THR 62 6.263 -8.268 -7.502 424 H ALA 63 HN ALA 63 2.297 -7.456 -4.638 425 HA ALA 63 HA ALA 63 1.962 -9.400 -2.524 426 HB1 ALA 63 HB1 ALA 63 1.819 -7.042 -1.953 427 HB2 ALA 63 HB2 ALA 63 0.250 -7.809 -1.685 428 HB3 ALA 63 HB3 ALA 63 0.512 -6.802 -3.118 429 H SER 64 HN SER 64 0.732 -11.130 -2.794 430 HA SER 64 HA SER 64 -1.078 -11.471 -4.951 431 HB2 SER 64 HB2 SER 64 0.150 -13.284 -3.562 432 HB3 SER 64 HB1 SER 64 -1.154 -13.075 -2.399 433 HG SER 64 HG SER 64 -1.255 -14.045 -5.043 434 H CYS 65 HN CYS 65 -3.038 -10.603 -5.124 435 HA CYS 65 HA CYS 65 -4.214 -9.355 -2.782 436 HB2 CYS 65 HB2 CYS 65 -4.194 -7.857 -4.577 437 HB3 CYS 65 HB1 CYS 65 -4.674 -9.099 -5.725 438 H GLN 66 HN GLN 66 -6.025 -9.866 -1.874 439 HA GLN 66 HA GLN 66 -7.756 -11.935 -3.060 440 HB2 GLN 66 HB2 GLN 66 -7.677 -11.516 -0.109 441 HB3 GLN 66 HB1 GLN 66 -8.012 -12.982 -1.017 442 HG2 GLN 66 HG2 GLN 66 -5.298 -11.815 -1.097 443 HG3 GLN 66 HG1 GLN 66 -5.800 -12.696 0.332 444 HE21 GLN 66 HE21 GLN 66 -4.299 -14.313 -0.026 445 HE22 GLN 66 HE22 GLN 66 -4.494 -15.498 -1.269 446 H ASN 67 HN ASN 67 -9.926 -11.343 -3.148 447 HA ASN 67 HA ASN 67 -10.571 -8.765 -1.936 448 HB2 ASN 67 HB2 ASN 67 -12.781 -9.079 -3.232 449 HB3 ASN 67 HB1 ASN 67 -11.327 -8.647 -4.106 450 HD21 ASN 67 HD21 ASN 67 -12.285 -9.453 -6.006 451 HD22 ASN 67 HD22 ASN 67 -12.386 -11.149 -6.321 452 H ALA 68 HN ALA 68 -12.128 -8.476 -0.496 453 HA ALA 68 HA ALA 68 -13.601 -10.714 0.592 454 HB1 ALA 68 HB1 ALA 68 -12.568 -10.352 2.872 455 HB2 ALA 68 HB2 ALA 68 -11.293 -9.443 2.046 456 HB3 ALA 68 HB3 ALA 68 -11.544 -11.150 1.677 457 H GLU 69 HN GLU 69 -14.968 -10.020 2.412 458 HA GLU 69 HA GLU 69 -15.287 -7.112 2.609 459 HB2 GLU 69 HB2 GLU 69 -17.492 -9.157 2.545 460 HB3 GLU 69 HB1 GLU 69 -17.719 -7.451 2.890 461 HG2 GLU 69 HG2 GLU 69 -16.790 -6.922 0.658 462 HG3 GLU 69 HG1 GLU 69 -16.734 -8.651 0.314 463 H SER 70 HN SER 70 -14.253 -6.876 4.427 464 HA SER 70 HA SER 70 -14.707 -8.685 6.677 465 HB2 SER 70 HB2 SER 70 -12.376 -8.054 5.838 466 HB3 SER 70 HB1 SER 70 -12.677 -6.450 6.496 467 HG SER 70 HG SER 70 -11.874 -8.680 7.766 468 H THR 71 HN THR 71 -14.336 -7.208 8.883 469 HA THR 71 HA THR 71 -16.622 -5.499 9.014 470 HB THR 71 HB THR 71 -15.949 -6.781 10.979 471 HG1 THR 71 HG1 THR 71 -15.487 -4.033 11.590 472 HG21 THR 71 HG21 THR 71 -13.531 -6.782 10.622 473 HG22 THR 71 HG22 THR 71 -13.937 -6.228 12.248 474 HG23 THR 71 HG23 THR 71 -13.469 -5.062 11.009 475 H GLU 72 HN GLU 72 -13.176 -5.099 8.658 476 HA GLU 72 HA GLU 72 -13.427 -2.197 8.573 477 HB2 GLU 72 HB2 GLU 72 -11.064 -4.039 8.512 478 HB3 GLU 72 HB1 GLU 72 -10.926 -2.316 8.203 479 HG2 GLU 72 HG2 GLU 72 -12.062 -3.499 10.716 480 HG3 GLU 72 HG1 GLU 72 -10.373 -3.011 10.519 481 H ASN 73 HN ASN 73 -13.397 -1.070 6.758 482 HA ASN 73 HA ASN 73 -13.536 -2.262 4.174 483 HB2 ASN 73 HB2 ASN 73 -12.907 0.589 4.988 484 HB3 ASN 73 HB1 ASN 73 -13.306 0.072 3.356 485 HD21 ASN 73 HD21 ASN 73 -14.543 0.603 6.586 486 HD22 ASN 73 HD22 ASN 73 -16.218 0.587 6.139 487 H SER 74 HN SER 74 -10.990 -1.099 6.210 488 HA SER 74 HA SER 74 -8.955 -0.938 4.245 489 HB2 SER 74 HB2 SER 74 -8.456 -1.501 7.155 490 HB3 SER 74 HB1 SER 74 -7.511 -0.510 6.042 491 HG SER 74 HG SER 74 -8.721 1.147 6.512 492 H LYS 75 HN LYS 75 -10.413 -3.546 5.980 493 HA LYS 75 HA LYS 75 -8.150 -5.330 5.460 494 HB2 LYS 75 HB2 LYS 75 -10.654 -5.794 7.091 495 HB3 LYS 75 HB1 LYS 75 -9.327 -6.927 6.919 496 HG2 LYS 75 HG2 LYS 75 -9.156 -4.215 8.208 497 HG3 LYS 75 HG1 LYS 75 -9.263 -5.757 9.054 498 HD2 LYS 75 HD2 LYS 75 -7.003 -5.470 9.110 499 HD3 LYS 75 HD1 LYS 75 -7.137 -6.300 7.559 500 HE2 LYS 75 HE2 LYS 75 -7.107 -4.174 6.389 501 HE3 LYS 75 HE1 LYS 75 -7.047 -3.309 7.927 502 HZ1 LYS 75 HZ1 LYS 75 -4.951 -5.061 6.773 503 HZ2 LYS 75 HZ2 LYS 75 -4.907 -4.495 8.363 504 HZ3 LYS 75 HZ3 LYS 75 -4.843 -3.395 7.069 505 H LYS 76 HN LYS 76 -10.449 -4.289 3.590 506 HA LYS 76 HA LYS 76 -11.848 -6.695 2.930 507 HB2 LYS 76 HB2 LYS 76 -11.706 -4.072 1.492 508 HB3 LYS 76 HB1 LYS 76 -12.731 -5.417 1.019 509 HG2 LYS 76 HG2 LYS 76 -13.776 -5.294 3.288 510 HG3 LYS 76 HG1 LYS 76 -12.885 -3.789 3.527 511 HD2 LYS 76 HD2 LYS 76 -13.932 -2.988 1.365 512 HD3 LYS 76 HD1 LYS 76 -14.986 -4.386 1.480 513 HE2 LYS 76 HE2 LYS 76 -15.513 -3.551 3.819 514 HE3 LYS 76 HE1 LYS 76 -14.790 -2.038 3.300 515 HZ1 LYS 76 HZ1 LYS 76 -17.046 -3.363 1.895 516 HZ2 LYS 76 HZ2 LYS 76 -16.434 -1.807 1.613 517 HZ3 LYS 76 HZ3 LYS 76 -17.242 -2.150 3.065 518 H ILE 77 HN ILE 77 -9.065 -4.983 1.736 519 HA ILE 77 HA ILE 77 -8.759 -7.049 -0.322 520 HB ILE 77 HB ILE 77 -7.412 -4.353 -0.145 521 HG12 ILE 77 HG12 ILE 77 -9.782 -4.162 -0.724 522 HG13 ILE 77 HG11 ILE 77 -8.782 -3.804 -2.131 523 HG21 ILE 77 HG21 ILE 77 -7.271 -6.496 -2.250 524 HG22 ILE 77 HG22 ILE 77 -5.954 -5.936 -1.217 525 HG23 ILE 77 HG23 ILE 77 -6.641 -4.861 -2.439 526 HD11 ILE 77 HD11 ILE 77 -10.768 -5.203 -2.616 527 HD12 ILE 77 HD12 ILE 77 -10.064 -6.474 -1.607 528 HD13 ILE 77 HD13 ILE 77 -9.235 -5.949 -3.076 529 H ILE 78 HN ILE 78 -7.466 -8.584 0.159 530 HA ILE 78 HA ILE 78 -5.518 -8.240 2.306 531 HB ILE 78 HB ILE 78 -6.361 -10.790 0.915 532 HG12 ILE 78 HG12 ILE 78 -7.490 -11.205 3.194 533 HG13 ILE 78 HG11 ILE 78 -7.346 -9.468 3.439 534 HG21 ILE 78 HG21 ILE 78 -4.149 -10.908 1.891 535 HG22 ILE 78 HG22 ILE 78 -5.285 -11.909 2.793 536 HG23 ILE 78 HG23 ILE 78 -4.783 -10.345 3.436 537 HD11 ILE 78 HD11 ILE 78 -8.779 -10.773 1.138 538 HD12 ILE 78 HD12 ILE 78 -8.702 -9.046 1.489 539 HD13 ILE 78 HD13 ILE 78 -9.556 -10.130 2.588 540 H CYS 79 HN CYS 79 -3.647 -7.482 1.598 541 HA CYS 79 HA CYS 79 -2.581 -8.448 -0.949 542 HB2 CYS 79 HB2 CYS 79 -1.501 -6.208 0.759 543 HB3 CYS 79 HB1 CYS 79 -1.191 -6.517 -0.948 544 H THR 80 HN THR 80 -1.333 -10.128 -0.817 545 HA THR 80 HA THR 80 0.203 -10.627 1.636 546 HB THR 80 HB THR 80 -0.699 -12.529 -0.535 547 HG1 THR 80 HG1 THR 80 -1.738 -11.756 1.930 548 HG21 THR 80 HG21 THR 80 0.117 -14.304 0.993 549 HG22 THR 80 HG22 THR 80 0.836 -13.052 2.009 550 HG23 THR 80 HG23 THR 80 1.407 -13.285 0.356 551 H CYS 81 HN CYS 81 2.261 -9.953 1.429 552 HA CYS 81 HA CYS 81 3.529 -9.895 -1.167 553 HB2 CYS 81 HB2 CYS 81 4.873 -9.391 1.495 554 HB3 CYS 81 HB1 CYS 81 5.359 -8.810 -0.091 555 H LYS 82 HN LYS 82 5.302 -11.175 -1.766 556 HA LYS 82 HA LYS 82 4.813 -13.884 -1.073 557 HB2 LYS 82 HB2 LYS 82 6.921 -12.731 -2.885 558 HB3 LYS 82 HB1 LYS 82 6.446 -14.421 -2.809 559 HG2 LYS 82 HG2 LYS 82 4.858 -12.077 -3.774 560 HG3 LYS 82 HG1 LYS 82 5.384 -13.487 -4.690 561 HD2 LYS 82 HD2 LYS 82 3.885 -14.898 -3.375 562 HD3 LYS 82 HD1 LYS 82 3.389 -13.495 -2.428 563 HE2 LYS 82 HE2 LYS 82 1.710 -13.740 -4.006 564 HE3 LYS 82 HE1 LYS 82 2.729 -12.454 -4.645 565 HZ1 LYS 82 HZ1 LYS 82 2.139 -13.980 -6.390 566 HZ2 LYS 82 HZ2 LYS 82 2.726 -15.299 -5.508 567 HZ3 LYS 82 HZ3 LYS 82 3.801 -14.119 -6.084 568 H GLU 83 HN GLU 83 6.978 -15.334 -1.095 569 HA GLU 83 HA GLU 83 8.020 -15.056 1.493 570 HB2 GLU 83 HB2 GLU 83 8.914 -16.838 -0.754 571 HB3 GLU 83 HB1 GLU 83 9.485 -16.965 0.904 572 HG2 GLU 83 HG2 GLU 83 6.985 -17.128 1.495 573 HG3 GLU 83 HG1 GLU 83 6.768 -17.509 -0.206 574 HA PRO 84 HA PRO 84 12.113 -13.458 -0.320 575 HB2 PRO 84 HB2 PRO 84 12.167 -12.184 -2.672 576 HB3 PRO 84 HB1 PRO 84 12.331 -13.938 -2.565 577 HG2 PRO 84 HG2 PRO 84 9.993 -12.307 -3.387 578 HG3 PRO 84 HG1 PRO 84 10.518 -13.896 -3.968 579 HD2 PRO 84 HD2 PRO 84 8.494 -13.401 -2.109 580 HD3 PRO 84 HD1 PRO 84 9.272 -14.965 -2.407 581 H THR 85 HN THR 85 9.273 -12.196 0.184 582 HA THR 85 HA THR 85 10.298 -9.483 0.553 583 HB THR 85 HB THR 85 8.205 -8.515 -0.093 584 HG1 THR 85 HG1 THR 85 7.192 -10.878 0.616 585 HG21 THR 85 HG21 THR 85 9.470 -9.039 -2.037 586 HG22 THR 85 HG22 THR 85 7.798 -9.475 -2.390 587 HG23 THR 85 HG23 THR 85 8.975 -10.733 -1.987 588 HA PRO 86 HA PRO 86 9.085 -11.674 4.484 589 HB2 PRO 86 HB2 PRO 86 11.329 -10.115 5.560 590 HB3 PRO 86 HB1 PRO 86 11.072 -11.859 5.601 591 HG2 PRO 86 HG2 PRO 86 12.966 -10.732 4.080 592 HG3 PRO 86 HG1 PRO 86 12.069 -12.165 3.537 593 HD2 PRO 86 HD2 PRO 86 11.694 -9.289 2.789 594 HD3 PRO 86 HD1 PRO 86 11.661 -10.737 1.767 595 H ASN 87 HN ASN 87 9.202 -8.548 3.421 596 HA ASN 87 HA ASN 87 7.871 -7.495 5.807 597 HB2 ASN 87 HB2 ASN 87 9.869 -5.998 4.109 598 HB3 ASN 87 HB1 ASN 87 9.077 -5.408 5.549 599 HD21 ASN 87 HD21 ASN 87 11.661 -7.172 4.256 600 HD22 ASN 87 HD22 ASN 87 12.444 -7.617 5.731 601 H ALA 88 HN ALA 88 7.017 -5.148 5.019 602 HA ALA 88 HA ALA 88 6.053 -5.273 2.276 603 HB1 ALA 88 HB1 ALA 88 3.714 -5.003 2.944 604 HB2 ALA 88 HB2 ALA 88 4.178 -5.182 4.637 605 HB3 ALA 88 HB3 ALA 88 4.375 -6.534 3.520 606 H TYR 89 HN TYR 89 5.365 -3.275 1.488 607 HA TYR 89 HA TYR 89 6.170 -0.954 3.037 608 HB2 TYR 89 HB2 TYR 89 4.795 -1.057 0.333 609 HB3 TYR 89 HB1 TYR 89 5.549 0.350 1.051 610 HD1 TYR 89 HD1 TYR 89 7.656 -2.495 1.571 611 HD2 TYR 89 HD2 TYR 89 6.437 0.339 -1.356 612 HE1 TYR 89 HE1 TYR 89 9.723 -2.894 0.311 613 HE2 TYR 89 HE2 TYR 89 8.493 -0.055 -2.620 614 HH TYR 89 HH TYR 89 10.543 -2.617 -2.122 615 H TYR 90 HN TYR 90 4.804 -0.498 4.642 616 HA TYR 90 HA TYR 90 2.949 -0.250 5.891 617 HB2 TYR 90 HB2 TYR 90 2.247 0.894 3.331 618 HB3 TYR 90 HB1 TYR 90 0.824 0.228 4.131 619 HD1 TYR 90 HD1 TYR 90 2.670 3.116 3.781 620 HD2 TYR 90 HD2 TYR 90 0.911 0.733 6.829 621 HE1 TYR 90 HE1 TYR 90 2.717 5.032 5.293 622 HE2 TYR 90 HE2 TYR 90 0.925 2.666 8.351 623 HH TYR 90 HH TYR 90 2.219 4.768 8.619 624 H GLU 91 HN GLU 91 0.264 -1.036 4.314 625 HA GLU 91 HA GLU 91 0.137 -3.470 5.853 626 HB2 GLU 91 HB2 GLU 91 -2.029 -2.437 4.043 627 HB3 GLU 91 HB1 GLU 91 -2.193 -3.416 5.493 628 HG2 GLU 91 HG2 GLU 91 -1.183 -1.350 6.698 629 HG3 GLU 91 HG1 GLU 91 -1.668 -0.491 5.232 630 H GLY 92 HN GLY 92 1.537 -3.097 3.034 631 HA2 GLY 92 HA2 GLY 92 2.033 -5.001 1.603 632 HA3 GLY 92 HA1 GLY 92 0.368 -5.534 1.837 633 H VAL 93 HN VAL 93 0.408 -2.263 1.620 634 HA VAL 93 HA VAL 93 -0.907 -2.051 -0.818 635 HB VAL 93 HB VAL 93 0.691 0.098 0.624 636 HG11 VAL 93 HG11 VAL 93 -1.612 0.275 -1.300 637 HG12 VAL 93 HG12 VAL 93 0.053 0.785 -1.593 638 HG13 VAL 93 HG13 VAL 93 -0.934 1.631 -0.401 639 HG21 VAL 93 HG21 VAL 93 -0.838 -0.898 2.191 640 HG22 VAL 93 HG22 VAL 93 -2.163 -0.789 1.033 641 HG23 VAL 93 HG23 VAL 93 -1.462 0.683 1.710 642 H PHE 94 HN PHE 94 2.460 -1.913 0.062 643 HA PHE 94 HA PHE 94 3.106 -2.666 -2.646 644 HB2 PHE 94 HB2 PHE 94 5.336 -1.121 -2.004 645 HB3 PHE 94 HB1 PHE 94 4.163 -0.792 -3.256 646 HD1 PHE 94 HD1 PHE 94 2.468 -0.160 -0.197 647 HD2 PHE 94 HD2 PHE 94 5.510 1.402 -2.730 648 HE1 PHE 94 HE1 PHE 94 2.109 2.077 0.754 649 HE2 PHE 94 HE2 PHE 94 5.150 3.637 -1.780 650 HZ PHE 94 HZ PHE 94 3.450 3.979 -0.043 651 H CYS 95 HN CYS 95 5.318 -3.735 -2.722 652 HA CYS 95 HA CYS 95 6.443 -4.393 -0.105 653 HB2 CYS 95 HB2 CYS 95 6.015 -6.739 -1.911 654 HB3 CYS 95 HB1 CYS 95 6.178 -6.686 -0.155 655 H SER 96 HN SER 96 8.508 -5.846 -0.468 656 HA SER 96 HA SER 96 9.825 -5.040 -2.986 657 HB2 SER 96 HB2 SER 96 10.407 -3.822 -0.649 658 HB3 SER 96 HB1 SER 96 11.506 -5.194 -0.556 659 HG SER 96 HG SER 96 12.039 -4.492 -2.854 660 H SER 97 HN SER 97 10.911 -6.627 -3.964 661 HA SER 97 HA SER 97 11.101 -9.196 -2.602 662 HB2 SER 97 HB2 SER 97 11.616 -10.028 -4.948 663 HB3 SER 97 HB1 SER 97 10.006 -9.341 -4.722 664 HG SER 97 HG SER 97 10.493 -7.985 -6.250 665 H SER 98 HN SER 98 13.045 -10.521 -3.035 666 HA SER 98 HA SER 98 15.272 -10.948 -3.198 667 HB2 SER 98 HB2 SER 98 15.546 -8.111 -4.225 668 HB3 SER 98 HB1 SER 98 16.766 -9.385 -4.330 669 HG SER 98 HG SER 98 14.710 -10.484 -5.391 670 H SER 99 HN SER 99 14.853 -10.924 -0.839 671 HA SER 99 HA SER 99 16.373 -8.789 0.496 672 HB2 SER 99 HB2 SER 99 15.055 -9.576 2.543 673 HB3 SER 99 HB1 SER 99 14.118 -8.775 1.278 674 HG SER 99 HG SER 99 14.384 -11.584 1.650 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 16.837 -1.885 -3.804 2 H2 GLY 1 HT2 GLY 1 15.900 -2.396 -5.118 3 H3 GLY 1 HT3 GLY 1 17.159 -3.375 -4.546 4 HA2 GLY 1 HA2 GLY 1 14.924 -4.150 -3.873 5 HA3 GLY 1 HA1 GLY 1 14.753 -2.655 -2.968 6 H VAL 2 HN VAL 2 14.409 -4.433 -1.298 7 HA VAL 2 HA VAL 2 16.423 -6.047 -0.285 8 HB VAL 2 HB VAL 2 17.460 -3.657 0.010 9 HG11 VAL 2 HG11 VAL 2 15.612 -2.555 1.039 10 HG12 VAL 2 HG12 VAL 2 16.916 -2.664 2.221 11 HG13 VAL 2 HG13 VAL 2 15.536 -3.762 2.323 12 HG21 VAL 2 HG21 VAL 2 18.294 -5.854 0.922 13 HG22 VAL 2 HG22 VAL 2 17.472 -5.442 2.428 14 HG23 VAL 2 HG23 VAL 2 18.765 -4.413 1.820 15 H ASP 3 HN ASP 3 15.929 -6.333 2.282 16 HA ASP 3 HA ASP 3 13.361 -7.173 2.681 17 HB2 ASP 3 HB2 ASP 3 13.818 -6.720 5.170 18 HB3 ASP 3 HB1 ASP 3 14.910 -7.800 4.318 19 HA PRO 4 HA PRO 4 11.167 -3.511 1.667 20 HB2 PRO 4 HB2 PRO 4 8.834 -4.529 2.950 21 HB3 PRO 4 HB1 PRO 4 9.212 -4.437 1.235 22 HG2 PRO 4 HG2 PRO 4 9.454 -6.686 3.097 23 HG3 PRO 4 HG1 PRO 4 9.306 -6.701 1.335 24 HD2 PRO 4 HD2 PRO 4 11.575 -7.341 2.618 25 HD3 PRO 4 HD1 PRO 4 11.567 -6.541 1.039 26 H LYS 5 HN LYS 5 11.413 -4.429 5.092 27 HA LYS 5 HA LYS 5 9.747 -2.242 5.944 28 HB2 LYS 5 HB2 LYS 5 10.750 -2.779 8.259 29 HB3 LYS 5 HB1 LYS 5 9.622 -3.888 7.512 30 HG2 LYS 5 HG2 LYS 5 11.379 -5.141 8.514 31 HG3 LYS 5 HG1 LYS 5 11.551 -5.260 6.766 32 HD2 LYS 5 HD2 LYS 5 13.356 -3.697 6.774 33 HD3 LYS 5 HD1 LYS 5 13.093 -3.330 8.482 34 HE2 LYS 5 HE2 LYS 5 13.666 -5.623 9.077 35 HE3 LYS 5 HE1 LYS 5 13.898 -6.016 7.374 36 HZ1 LYS 5 HZ1 LYS 5 15.980 -5.569 8.581 37 HZ2 LYS 5 HZ2 LYS 5 15.470 -3.973 8.847 38 HZ3 LYS 5 HZ3 LYS 5 15.738 -4.528 7.266 39 H HIS 6 HN HIS 6 12.386 -1.746 4.459 40 HA HIS 6 HA HIS 6 13.923 -0.168 6.272 41 HB2 HIS 6 HB2 HIS 6 14.959 0.718 4.092 42 HB3 HIS 6 HB1 HIS 6 15.198 -0.980 4.494 43 HD1 HIS 6 HD1 HIS 6 13.605 -2.674 3.187 44 HD2 HIS 6 HD2 HIS 6 13.841 1.194 1.712 45 HE1 HIS 6 HE1 HIS 6 12.559 -2.775 0.918 46 HE2 HIS 6 HE2 HIS 6 12.567 -0.390 0.090 47 H VAL 7 HN VAL 7 11.017 0.391 5.822 48 HA VAL 7 HA VAL 7 9.603 2.121 5.938 49 HB VAL 7 HB VAL 7 10.268 3.910 7.398 50 HG11 VAL 7 HG11 VAL 7 11.183 2.516 9.260 51 HG12 VAL 7 HG12 VAL 7 11.428 1.214 8.090 52 HG13 VAL 7 HG13 VAL 7 9.801 1.807 8.425 53 HG21 VAL 7 HG21 VAL 7 12.584 4.162 8.190 54 HG22 VAL 7 HG22 VAL 7 12.437 4.502 6.465 55 HG23 VAL 7 HG23 VAL 7 13.109 2.965 7.005 56 H CYS 8 HN CYS 8 10.172 4.953 5.924 57 HA CYS 8 HA CYS 8 10.960 5.582 3.203 58 HB2 CYS 8 HB2 CYS 8 8.815 4.776 2.702 59 HB3 CYS 8 HB1 CYS 8 8.106 5.463 4.140 60 H VAL 9 HN VAL 9 11.024 7.728 2.748 61 HA VAL 9 HA VAL 9 9.654 9.651 4.425 62 HB VAL 9 HB VAL 9 11.796 11.135 4.078 63 HG11 VAL 9 HG11 VAL 9 11.715 8.952 6.163 64 HG12 VAL 9 HG12 VAL 9 10.947 10.538 6.284 65 HG13 VAL 9 HG13 VAL 9 12.707 10.410 6.251 66 HG21 VAL 9 HG21 VAL 9 13.878 9.802 4.174 67 HG22 VAL 9 HG22 VAL 9 12.962 9.530 2.682 68 HG23 VAL 9 HG23 VAL 9 12.905 8.334 3.984 69 H ASP 10 HN ASP 10 8.292 10.113 2.755 70 HA ASP 10 HA ASP 10 9.518 11.042 0.268 71 HB2 ASP 10 HB2 ASP 10 8.619 8.927 -0.271 72 HB3 ASP 10 HB1 ASP 10 7.160 9.225 0.644 73 H THR 11 HN THR 11 8.283 12.629 -0.878 74 HA THR 11 HA THR 11 6.870 14.360 -1.212 75 HB THR 11 HB THR 11 5.419 12.219 0.210 76 HG1 THR 11 HG1 THR 11 5.439 11.675 -1.805 77 HG21 THR 11 HG21 THR 11 4.164 14.053 1.048 78 HG22 THR 11 HG22 THR 11 3.240 13.335 -0.273 79 HG23 THR 11 HG23 THR 11 4.136 14.833 -0.536 80 H ARG 12 HN ARG 12 5.424 16.015 -0.153 81 HA ARG 12 HA ARG 12 6.854 17.081 2.116 82 HB2 ARG 12 HB2 ARG 12 4.666 18.327 0.517 83 HB3 ARG 12 HB1 ARG 12 5.707 19.150 1.653 84 HG2 ARG 12 HG2 ARG 12 6.568 19.732 -0.399 85 HG3 ARG 12 HG1 ARG 12 7.616 18.409 0.103 86 HD2 ARG 12 HD2 ARG 12 6.447 16.884 -1.306 87 HD3 ARG 12 HD1 ARG 12 5.250 18.108 -1.727 88 HE ARG 12 HE ARG 12 7.836 19.005 -2.423 89 HH11 ARG 12 HH11 ARG 12 5.334 16.768 -3.421 90 HH12 ARG 12 HH12 ARG 12 5.892 16.674 -5.064 91 HH21 ARG 12 HH21 ARG 12 8.567 18.910 -4.584 92 HH22 ARG 12 HH22 ARG 12 7.736 17.889 -5.727 93 H ASP 13 HN ASP 13 3.612 16.307 1.097 94 HA ASP 13 HA ASP 13 2.853 15.713 3.859 95 HB2 ASP 13 HB2 ASP 13 2.122 17.985 3.611 96 HB3 ASP 13 HB1 ASP 13 1.398 17.641 2.047 97 H ILE 14 HN ILE 14 2.656 13.566 3.467 98 HA ILE 14 HA ILE 14 1.335 12.506 1.154 99 HB ILE 14 HB ILE 14 2.243 11.176 3.721 100 HG12 ILE 14 HG12 ILE 14 3.560 10.407 1.264 101 HG13 ILE 14 HG11 ILE 14 3.659 12.147 1.520 102 HG21 ILE 14 HG21 ILE 14 1.146 9.940 1.208 103 HG22 ILE 14 HG22 ILE 14 0.487 9.815 2.839 104 HG23 ILE 14 HG23 ILE 14 2.032 9.047 2.447 105 HD11 ILE 14 HD11 ILE 14 5.573 11.080 2.459 106 HD12 ILE 14 HD12 ILE 14 4.553 9.987 3.402 107 HD13 ILE 14 HD13 ILE 14 4.568 11.717 3.762 108 HA PRO 15 HA PRO 15 -2.869 12.878 2.312 109 HB2 PRO 15 HB2 PRO 15 -3.084 10.141 1.149 110 HB3 PRO 15 HB1 PRO 15 -4.030 11.586 0.807 111 HG2 PRO 15 HG2 PRO 15 -2.208 10.849 -0.916 112 HG3 PRO 15 HG1 PRO 15 -2.322 12.561 -0.466 113 HD2 PRO 15 HD2 PRO 15 -0.418 10.469 0.499 114 HD3 PRO 15 HD1 PRO 15 -0.072 12.126 -0.010 115 H LYS 16 HN LYS 16 -4.493 11.972 3.661 116 HA LYS 16 HA LYS 16 -3.336 11.191 6.089 117 HB2 LYS 16 HB2 LYS 16 -5.148 12.720 5.997 118 HB3 LYS 16 HB1 LYS 16 -6.166 11.562 5.166 119 HG2 LYS 16 HG2 LYS 16 -6.109 10.154 7.214 120 HG3 LYS 16 HG1 LYS 16 -5.261 11.474 8.029 121 HD2 LYS 16 HD2 LYS 16 -7.106 12.969 7.613 122 HD3 LYS 16 HD1 LYS 16 -7.935 11.727 6.675 123 HE2 LYS 16 HE2 LYS 16 -8.880 11.923 8.919 124 HE3 LYS 16 HE1 LYS 16 -8.141 10.343 8.675 125 HZ1 LYS 16 HZ1 LYS 16 -7.657 11.432 10.852 126 HZ2 LYS 16 HZ2 LYS 16 -6.741 12.591 10.009 127 HZ3 LYS 16 HZ3 LYS 16 -6.287 10.957 9.973 128 H ASN 17 HN ASN 17 -5.172 9.462 3.731 129 HA ASN 17 HA ASN 17 -5.187 7.080 5.447 130 HB2 ASN 17 HB2 ASN 17 -6.657 7.575 2.840 131 HB3 ASN 17 HB1 ASN 17 -6.918 6.243 3.965 132 HD21 ASN 17 HD21 ASN 17 -7.099 9.706 3.604 133 HD22 ASN 17 HD22 ASN 17 -8.337 9.980 4.789 134 H ALA 18 HN ALA 18 -3.057 8.411 3.875 135 HA ALA 18 HA ALA 18 -2.369 6.223 2.018 136 HB1 ALA 18 HB1 ALA 18 -2.814 8.250 0.797 137 HB2 ALA 18 HB2 ALA 18 -1.084 7.905 0.745 138 HB3 ALA 18 HB3 ALA 18 -1.705 9.159 1.827 139 H GLY 19 HN GLY 19 -0.306 5.465 2.032 140 HA2 GLY 19 HA2 GLY 19 1.493 6.563 4.104 141 HA3 GLY 19 HA1 GLY 19 1.377 4.842 3.752 142 H CYS 20 HN CYS 20 3.771 6.331 3.681 143 HA CYS 20 HA CYS 20 4.277 6.621 0.805 144 HB2 CYS 20 HB2 CYS 20 5.803 8.300 1.245 145 HB3 CYS 20 HB1 CYS 20 4.609 8.585 2.497 146 H PHE 21 HN PHE 21 6.111 5.698 -0.069 147 HA PHE 21 HA PHE 21 7.757 4.121 1.761 148 HB2 PHE 21 HB2 PHE 21 6.467 2.506 0.651 149 HB3 PHE 21 HB1 PHE 21 6.743 3.254 -0.915 150 HD1 PHE 21 HD1 PHE 21 8.630 2.001 1.895 151 HD2 PHE 21 HD2 PHE 21 8.378 2.241 -2.285 152 HE1 PHE 21 HE1 PHE 21 10.605 0.557 1.723 153 HE2 PHE 21 HE2 PHE 21 10.365 0.814 -2.497 154 HZ PHE 21 HZ PHE 21 11.482 -0.038 -0.455 155 H ARG 22 HN ARG 22 9.861 4.147 1.460 156 HA ARG 22 HA ARG 22 10.977 5.308 -0.957 157 HB2 ARG 22 HB2 ARG 22 10.869 7.261 0.439 158 HB3 ARG 22 HB1 ARG 22 11.524 6.390 1.811 159 HG2 ARG 22 HG2 ARG 22 13.277 6.212 -0.456 160 HG3 ARG 22 HG1 ARG 22 12.930 7.888 -0.045 161 HD2 ARG 22 HD2 ARG 22 13.729 7.618 2.149 162 HD3 ARG 22 HD1 ARG 22 13.733 5.862 1.997 163 HE ARG 22 HE ARG 22 15.471 6.299 0.209 164 HH11 ARG 22 HH11 ARG 22 15.073 8.251 3.083 165 HH12 ARG 22 HH12 ARG 22 16.720 8.791 3.117 166 HH21 ARG 22 HH21 ARG 22 17.656 7.071 0.203 167 HH22 ARG 22 HH22 ARG 22 18.175 8.148 1.464 168 H ASP 23 HN ASP 23 12.354 3.801 -1.628 169 HA ASP 23 HA ASP 23 12.931 1.740 0.271 170 HB2 ASP 23 HB2 ASP 23 13.752 0.420 -1.589 171 HB3 ASP 23 HB1 ASP 23 12.163 1.101 -1.916 172 H ASP 24 HN ASP 24 15.281 0.643 -0.556 173 HA ASP 24 HA ASP 24 17.136 2.316 0.859 174 HB2 ASP 24 HB2 ASP 24 16.933 -0.174 1.152 175 HB3 ASP 24 HB1 ASP 24 17.636 -0.350 -0.449 176 H ASP 25 HN ASP 25 16.162 2.176 -2.271 177 HA ASP 25 HA ASP 25 18.767 2.762 -3.456 178 HB2 ASP 25 HB2 ASP 25 16.016 2.315 -4.644 179 HB3 ASP 25 HB1 ASP 25 17.420 2.783 -5.590 180 H GLY 26 HN GLY 26 15.968 4.296 -2.222 181 HA2 GLY 26 HA2 GLY 26 15.954 6.647 -1.788 182 HA3 GLY 26 HA1 GLY 26 16.943 6.887 -3.226 183 H THR 27 HN THR 27 14.582 4.613 -3.754 184 HA THR 27 HA THR 27 13.014 6.323 -5.447 185 HB THR 27 HB THR 27 12.719 3.451 -4.579 186 HG1 THR 27 HG1 THR 27 13.665 4.552 -7.047 187 HG21 THR 27 HG21 THR 27 11.208 3.200 -6.519 188 HG22 THR 27 HG22 THR 27 11.273 4.945 -6.776 189 HG23 THR 27 HG23 THR 27 10.555 4.295 -5.301 190 H GLU 28 HN GLU 28 11.206 7.429 -4.848 191 HA GLU 28 HA GLU 28 9.974 6.744 -2.257 192 HB2 GLU 28 HB2 GLU 28 10.584 9.470 -3.400 193 HB3 GLU 28 HB1 GLU 28 9.574 9.206 -1.987 194 HG2 GLU 28 HG2 GLU 28 11.332 8.665 -0.641 195 HG3 GLU 28 HG1 GLU 28 12.301 8.032 -1.970 196 H GLU 29 HN GLU 29 7.910 6.310 -2.295 197 HA GLU 29 HA GLU 29 6.129 7.707 -4.133 198 HB2 GLU 29 HB2 GLU 29 6.637 5.874 -5.542 199 HB3 GLU 29 HB1 GLU 29 6.580 4.735 -4.206 200 HG2 GLU 29 HG2 GLU 29 4.176 5.059 -4.009 201 HG3 GLU 29 HG1 GLU 29 4.215 6.232 -5.321 202 H TRP 30 HN TRP 30 4.224 8.123 -3.104 203 HA TRP 30 HA TRP 30 3.597 6.416 -0.809 204 HB2 TRP 30 HB2 TRP 30 2.040 8.122 -0.072 205 HB3 TRP 30 HB1 TRP 30 3.626 8.829 -0.336 206 HD1 TRP 30 HD TRP 30 3.771 10.837 -1.931 207 HE1 TRP 30 HE1 TRP 30 2.064 12.136 -3.362 208 HE3 TRP 30 HE3 TRP 30 -0.171 7.633 -1.560 209 HZ2 TRP 30 HZ2 TRP 30 -0.620 11.838 -4.193 210 HZ3 TRP 30 HZ3 TRP 30 -2.285 8.217 -2.704 211 HH2 TRP 30 HH TRP 30 -2.487 10.277 -4.000 212 H ARG 31 HN ARG 31 1.447 5.675 -0.546 213 HA ARG 31 HA ARG 31 -0.149 5.442 -2.989 214 HB2 ARG 31 HB2 ARG 31 0.726 3.073 -1.327 215 HB3 ARG 31 HB1 ARG 31 -0.460 3.015 -2.619 216 HG2 ARG 31 HG2 ARG 31 1.377 3.834 -4.159 217 HG3 ARG 31 HG1 ARG 31 2.486 3.510 -2.826 218 HD2 ARG 31 HD2 ARG 31 1.533 1.165 -2.770 219 HD3 ARG 31 HD1 ARG 31 0.753 1.545 -4.307 220 HE ARG 31 HE ARG 31 3.522 2.149 -4.430 221 HH11 ARG 31 HH11 ARG 31 1.394 -0.649 -4.303 222 HH12 ARG 31 HH12 ARG 31 2.470 -1.642 -5.239 223 HH21 ARG 31 HH21 ARG 31 4.899 0.832 -5.671 224 HH22 ARG 31 HH22 ARG 31 4.451 -0.825 -5.989 225 H CYS 32 HN CYS 32 -2.173 3.978 -2.230 226 HA CYS 32 HA CYS 32 -3.155 5.329 0.195 227 HB2 CYS 32 HB2 CYS 32 -4.541 6.020 -1.604 228 HB3 CYS 32 HB1 CYS 32 -4.579 4.421 -2.317 229 H LEU 33 HN LEU 33 -4.093 4.140 1.742 230 HA LEU 33 HA LEU 33 -2.821 1.630 2.013 231 HB2 LEU 33 HB2 LEU 33 -4.974 2.699 3.802 232 HB3 LEU 33 HB1 LEU 33 -3.778 1.500 4.213 233 HG LEU 33 HG LEU 33 -3.551 4.465 4.069 234 HD11 LEU 33 HD11 LEU 33 -2.323 4.123 6.155 235 HD12 LEU 33 HD12 LEU 33 -2.505 2.377 5.968 236 HD13 LEU 33 HD13 LEU 33 -3.930 3.395 6.201 237 HD21 LEU 33 HD21 LEU 33 -1.061 2.798 4.032 238 HD22 LEU 33 HD22 LEU 33 -1.264 4.547 3.784 239 HD23 LEU 33 HD23 LEU 33 -1.790 3.406 2.542 240 H LEU 34 HN LEU 34 -4.053 -0.281 2.895 241 HA LEU 34 HA LEU 34 -5.316 -1.311 0.648 242 HB2 LEU 34 HB2 LEU 34 -5.145 -2.483 3.413 243 HB3 LEU 34 HB1 LEU 34 -5.429 -3.363 1.920 244 HG LEU 34 HG LEU 34 -2.917 -1.873 2.666 245 HD11 LEU 34 HD11 LEU 34 -3.434 -4.809 2.261 246 HD12 LEU 34 HD12 LEU 34 -3.143 -4.004 3.806 247 HD13 LEU 34 HD13 LEU 34 -1.868 -4.064 2.589 248 HD21 LEU 34 HD21 LEU 34 -2.030 -2.668 0.542 249 HD22 LEU 34 HD22 LEU 34 -3.437 -1.625 0.303 250 HD23 LEU 34 HD23 LEU 34 -3.598 -3.376 0.148 251 H GLY 35 HN GLY 35 -7.309 -1.210 0.015 252 HA2 GLY 35 HA2 GLY 35 -9.630 -1.635 0.352 253 HA3 GLY 35 HA1 GLY 35 -9.445 -1.110 2.020 254 H TYR 36 HN TYR 36 -7.682 1.138 0.617 255 HA TYR 36 HA TYR 36 -10.010 2.912 0.552 256 HB2 TYR 36 HB2 TYR 36 -7.113 3.829 0.680 257 HB3 TYR 36 HB1 TYR 36 -8.599 4.725 1.024 258 HD1 TYR 36 HD1 TYR 36 -6.443 4.715 2.918 259 HD2 TYR 36 HD2 TYR 36 -9.682 2.004 2.527 260 HE1 TYR 36 HE1 TYR 36 -6.280 4.171 5.303 261 HE2 TYR 36 HE2 TYR 36 -9.541 1.448 4.910 262 HH TYR 36 HH TYR 36 -7.697 3.280 7.107 263 H LYS 37 HN LYS 37 -8.923 5.082 -0.806 264 HA LYS 37 HA LYS 37 -8.401 4.148 -3.487 265 HB2 LYS 37 HB2 LYS 37 -10.424 5.246 -4.393 266 HB3 LYS 37 HB1 LYS 37 -10.803 3.874 -3.379 267 HG2 LYS 37 HG2 LYS 37 -11.242 5.457 -1.513 268 HG3 LYS 37 HG1 LYS 37 -10.994 6.784 -2.650 269 HD2 LYS 37 HD2 LYS 37 -12.839 5.906 -4.029 270 HD3 LYS 37 HD1 LYS 37 -13.088 4.636 -2.829 271 HE2 LYS 37 HE2 LYS 37 -13.602 6.299 -1.137 272 HE3 LYS 37 HE1 LYS 37 -13.299 7.595 -2.292 273 HZ1 LYS 37 HZ1 LYS 37 -15.649 7.210 -2.094 274 HZ2 LYS 37 HZ2 LYS 37 -15.466 5.562 -2.446 275 HZ3 LYS 37 HZ3 LYS 37 -15.146 6.726 -3.639 276 H LYS 38 HN LYS 38 -7.907 5.798 -4.894 277 HA LYS 38 HA LYS 38 -6.886 8.225 -3.817 278 HB2 LYS 38 HB2 LYS 38 -6.228 6.949 -6.010 279 HB3 LYS 38 HB1 LYS 38 -7.558 7.862 -6.716 280 HG2 LYS 38 HG2 LYS 38 -5.536 9.054 -7.131 281 HG3 LYS 38 HG1 LYS 38 -6.462 9.949 -5.923 282 HD2 LYS 38 HD2 LYS 38 -4.292 9.964 -5.070 283 HD3 LYS 38 HD1 LYS 38 -5.091 8.641 -4.195 284 HE2 LYS 38 HE2 LYS 38 -2.823 8.071 -4.977 285 HE3 LYS 38 HE1 LYS 38 -4.068 7.011 -5.635 286 HZ1 LYS 38 HZ1 LYS 38 -3.978 8.654 -7.624 287 HZ2 LYS 38 HZ2 LYS 38 -2.781 7.468 -7.465 288 HZ3 LYS 38 HZ3 LYS 38 -2.454 9.061 -7.003 289 H GLY 39 HN GLY 39 -7.989 9.939 -3.271 290 HA2 GLY 39 HA2 GLY 39 -10.800 10.150 -3.928 291 HA3 GLY 39 HA1 GLY 39 -9.894 11.199 -2.843 292 H GLU 40 HN GLU 40 -8.463 12.781 -3.807 293 HA GLU 40 HA GLU 40 -9.320 13.628 -6.479 294 HB2 GLU 40 HB2 GLU 40 -8.310 15.768 -5.968 295 HB3 GLU 40 HB1 GLU 40 -9.396 15.303 -4.669 296 HG2 GLU 40 HG2 GLU 40 -7.521 14.633 -3.297 297 HG3 GLU 40 HG1 GLU 40 -6.405 15.020 -4.606 298 H GLY 41 HN GLY 41 -7.114 14.997 -7.285 299 HA2 GLY 41 HA2 GLY 41 -5.691 13.189 -8.716 300 HA3 GLY 41 HA1 GLY 41 -5.054 14.761 -8.274 301 H ASN 42 HN ASN 42 -4.928 14.124 -5.383 302 HA ASN 42 HA ASN 42 -3.019 11.935 -5.287 303 HB2 ASN 42 HB2 ASN 42 -1.250 13.423 -4.276 304 HB3 ASN 42 HB1 ASN 42 -1.536 13.660 -5.993 305 HD21 ASN 42 HD21 ASN 42 -1.756 15.045 -2.838 306 HD22 ASN 42 HD22 ASN 42 -2.156 16.654 -3.339 307 H THR 43 HN THR 43 -5.254 11.667 -3.996 308 HA THR 43 HA THR 43 -4.371 11.855 -1.220 309 HB THR 43 HB THR 43 -6.750 12.311 -0.503 310 HG1 THR 43 HG1 THR 43 -8.166 13.121 -1.960 311 HG21 THR 43 HG21 THR 43 -5.043 13.984 -0.256 312 HG22 THR 43 HG22 THR 43 -6.547 14.746 -0.780 313 HG23 THR 43 HG23 THR 43 -5.241 14.484 -1.938 314 H CYS 44 HN CYS 44 -5.109 10.235 0.109 315 HA CYS 44 HA CYS 44 -6.735 8.171 -1.213 316 HB2 CYS 44 HB2 CYS 44 -4.728 7.103 -0.556 317 HB3 CYS 44 HB1 CYS 44 -4.712 7.899 1.015 318 H VAL 45 HN VAL 45 -8.500 7.430 -0.235 319 HA VAL 45 HA VAL 45 -9.352 8.577 2.306 320 HB VAL 45 HB VAL 45 -11.621 9.024 1.335 321 HG11 VAL 45 HG11 VAL 45 -11.060 11.187 0.374 322 HG12 VAL 45 HG12 VAL 45 -9.405 10.653 0.078 323 HG13 VAL 45 HG13 VAL 45 -9.987 10.848 1.734 324 HG21 VAL 45 HG21 VAL 45 -11.444 7.660 -0.681 325 HG22 VAL 45 HG22 VAL 45 -10.159 8.706 -1.294 326 HG23 VAL 45 HG23 VAL 45 -11.797 9.337 -1.107 327 H GLU 46 HN GLU 46 -10.916 7.284 3.333 328 HA GLU 46 HA GLU 46 -10.480 4.551 2.890 329 HB2 GLU 46 HB2 GLU 46 -12.179 6.163 4.685 330 HB3 GLU 46 HB1 GLU 46 -12.694 4.502 4.414 331 HG2 GLU 46 HG2 GLU 46 -10.469 3.726 5.114 332 HG3 GLU 46 HG1 GLU 46 -10.026 5.397 5.480 333 H ASN 47 HN ASN 47 -11.080 3.689 1.063 334 HA ASN 47 HA ASN 47 -13.687 4.103 -0.074 335 HB2 ASN 47 HB2 ASN 47 -11.757 3.647 -1.525 336 HB3 ASN 47 HB1 ASN 47 -11.519 2.096 -0.729 337 HD21 ASN 47 HD21 ASN 47 -11.659 1.174 -2.798 338 HD22 ASN 47 HD22 ASN 47 -13.199 0.861 -3.518 339 H ASN 48 HN ASN 48 -15.434 2.887 0.307 340 HA ASN 48 HA ASN 48 -15.059 0.716 2.245 341 HB2 ASN 48 HB2 ASN 48 -17.525 2.394 1.732 342 HB3 ASN 48 HB1 ASN 48 -17.384 1.117 2.938 343 HD21 ASN 48 HD21 ASN 48 -14.531 1.977 3.429 344 HD22 ASN 48 HD22 ASN 48 -14.674 3.350 4.456 345 H ASN 49 HN ASN 49 -15.286 1.110 -0.881 346 HA ASN 49 HA ASN 49 -16.457 -1.567 -1.195 347 HB2 ASN 49 HB2 ASN 49 -18.046 0.161 -2.025 348 HB3 ASN 49 HB1 ASN 49 -16.790 0.722 -3.123 349 HD21 ASN 49 HD21 ASN 49 -18.083 0.295 -4.920 350 HD22 ASN 49 HD22 ASN 49 -18.386 -1.316 -5.472 351 HA PRO 50 HA PRO 50 -12.125 -0.939 -3.136 352 HB2 PRO 50 HB2 PRO 50 -10.898 -2.803 -1.523 353 HB3 PRO 50 HB1 PRO 50 -10.785 -1.060 -1.316 354 HG2 PRO 50 HG2 PRO 50 -12.464 -3.036 0.098 355 HG3 PRO 50 HG1 PRO 50 -11.734 -1.542 0.712 356 HD2 PRO 50 HD2 PRO 50 -14.361 -1.771 0.129 357 HD3 PRO 50 HD1 PRO 50 -13.473 -0.254 -0.028 358 H THR 51 HN THR 51 -11.759 -2.140 -4.808 359 HA THR 51 HA THR 51 -12.643 -4.939 -4.821 360 HB THR 51 HB THR 51 -14.043 -3.500 -6.280 361 HG1 THR 51 HG1 THR 51 -13.292 -4.831 -8.318 362 HG21 THR 51 HG21 THR 51 -11.440 -3.036 -7.760 363 HG22 THR 51 HG22 THR 51 -12.425 -1.819 -6.943 364 HG23 THR 51 HG23 THR 51 -13.042 -2.626 -8.383 365 H CYS 52 HN CYS 52 -11.247 -6.419 -5.887 366 HA CYS 52 HA CYS 52 -8.525 -5.460 -6.285 367 HB2 CYS 52 HB2 CYS 52 -9.244 -7.747 -5.242 368 HB3 CYS 52 HB1 CYS 52 -9.517 -8.236 -6.908 369 H ASP 53 HN ASP 53 -7.685 -5.105 -8.291 370 HA ASP 53 HA ASP 53 -8.395 -5.564 -10.824 371 HB2 ASP 53 HB2 ASP 53 -10.798 -5.202 -10.175 372 HB3 ASP 53 HB1 ASP 53 -10.396 -3.549 -9.742 373 H ILE 54 HN ILE 54 -8.625 -2.776 -8.665 374 HA ILE 54 HA ILE 54 -7.686 -0.871 -10.497 375 HB ILE 54 HB ILE 54 -7.716 -0.777 -7.483 376 HG12 ILE 54 HG12 ILE 54 -9.740 0.302 -9.453 377 HG13 ILE 54 HG11 ILE 54 -9.905 -1.235 -8.610 378 HG21 ILE 54 HG21 ILE 54 -7.372 1.415 -9.517 379 HG22 ILE 54 HG22 ILE 54 -6.269 0.950 -8.213 380 HG23 ILE 54 HG23 ILE 54 -7.820 1.707 -7.835 381 HD11 ILE 54 HD11 ILE 54 -9.953 -0.065 -6.476 382 HD12 ILE 54 HD12 ILE 54 -11.208 0.533 -7.559 383 HD13 ILE 54 HD13 ILE 54 -9.740 1.476 -7.309 384 H ASN 55 HN ASN 55 -5.979 -1.018 -7.512 385 HA ASN 55 HA ASN 55 -3.506 -1.637 -8.936 386 HB2 ASN 55 HB2 ASN 55 -3.585 0.520 -7.716 387 HB3 ASN 55 HB1 ASN 55 -3.854 -0.362 -6.228 388 HD21 ASN 55 HD21 ASN 55 -1.926 0.377 -5.312 389 HD22 ASN 55 HD22 ASN 55 -0.393 -0.197 -5.856 390 H ASN 56 HN ASN 56 -5.003 -3.707 -8.697 391 HA ASN 56 HA ASN 56 -5.166 -5.840 -7.859 392 HB2 ASN 56 HB2 ASN 56 -2.965 -5.448 -5.868 393 HB3 ASN 56 HB1 ASN 56 -3.279 -6.826 -6.908 394 HD21 ASN 56 HD21 ASN 56 -1.015 -4.902 -6.226 395 HD22 ASN 56 HD22 ASN 56 -0.329 -4.576 -7.765 396 H GLY 57 HN GLY 57 -6.526 -3.567 -6.671 397 HA2 GLY 57 HA2 GLY 57 -8.143 -3.547 -4.966 398 HA3 GLY 57 HA1 GLY 57 -7.221 -4.781 -4.118 399 H GLY 58 HN GLY 58 -4.930 -2.704 -5.003 400 HA2 GLY 58 HA2 GLY 58 -4.402 -0.548 -3.944 401 HA3 GLY 58 HA1 GLY 58 -5.198 -1.167 -2.501 402 H CYS 59 HN CYS 59 -3.446 -3.428 -4.267 403 HA CYS 59 HA CYS 59 -1.360 -3.597 -2.213 404 HB2 CYS 59 HB2 CYS 59 -2.031 -5.699 -4.264 405 HB3 CYS 59 HB1 CYS 59 -1.214 -5.905 -2.716 406 H ASP 60 HN ASP 60 0.571 -4.831 -3.230 407 HA ASP 60 HA ASP 60 1.450 -3.361 -5.620 408 HB2 ASP 60 HB2 ASP 60 2.794 -3.557 -3.427 409 HB3 ASP 60 HB1 ASP 60 3.033 -5.239 -3.860 410 HA PRO 61 HA PRO 61 0.499 -6.786 -8.145 411 HB2 PRO 61 HB2 PRO 61 3.119 -6.389 -9.491 412 HB3 PRO 61 HB1 PRO 61 1.493 -6.368 -10.171 413 HG2 PRO 61 HG2 PRO 61 2.929 -4.126 -9.812 414 HG3 PRO 61 HG1 PRO 61 1.164 -4.161 -9.657 415 HD2 PRO 61 HD2 PRO 61 3.243 -4.003 -7.542 416 HD3 PRO 61 HD1 PRO 61 1.596 -3.357 -7.573 417 H THR 62 HN THR 62 3.379 -6.668 -6.302 418 HA THR 62 HA THR 62 4.029 -9.474 -6.718 419 HB THR 62 HB THR 62 5.946 -9.053 -5.299 420 HG1 THR 62 HG1 THR 62 5.244 -6.345 -4.929 421 HG21 THR 62 HG21 THR 62 6.154 -8.299 -7.596 422 HG22 THR 62 HG22 THR 62 6.989 -7.165 -6.533 423 HG23 THR 62 HG23 THR 62 5.397 -6.758 -7.187 424 H ALA 63 HN ALA 63 2.224 -7.438 -4.658 425 HA ALA 63 HA ALA 63 1.964 -9.383 -2.520 426 HB1 ALA 63 HB1 ALA 63 1.902 -7.034 -1.914 427 HB2 ALA 63 HB2 ALA 63 0.317 -7.752 -1.610 428 HB3 ALA 63 HB3 ALA 63 0.571 -6.739 -3.041 429 H SER 64 HN SER 64 0.830 -11.161 -3.019 430 HA SER 64 HA SER 64 -1.150 -11.448 -4.959 431 HB2 SER 64 HB2 SER 64 -0.083 -13.376 -3.905 432 HB3 SER 64 HB1 SER 64 -0.791 -12.953 -2.350 433 HG SER 64 HG SER 64 -2.840 -13.387 -3.201 434 H CYS 65 HN CYS 65 -3.030 -10.450 -5.107 435 HA CYS 65 HA CYS 65 -4.232 -9.301 -2.719 436 HB2 CYS 65 HB2 CYS 65 -4.239 -7.732 -4.450 437 HB3 CYS 65 HB1 CYS 65 -4.666 -8.940 -5.650 438 H GLN 66 HN GLN 66 -5.975 -9.943 -1.812 439 HA GLN 66 HA GLN 66 -7.645 -11.983 -3.107 440 HB2 GLN 66 HB2 GLN 66 -7.769 -11.851 -0.174 441 HB3 GLN 66 HB1 GLN 66 -7.693 -13.256 -1.231 442 HG2 GLN 66 HG2 GLN 66 -5.290 -11.580 -0.886 443 HG3 GLN 66 HG1 GLN 66 -5.739 -12.674 0.408 444 HE21 GLN 66 HE21 GLN 66 -5.647 -14.895 0.046 445 HE22 GLN 66 HE22 GLN 66 -4.762 -15.574 -1.277 446 H ASN 67 HN ASN 67 -9.583 -11.052 -3.605 447 HA ASN 67 HA ASN 67 -10.340 -8.683 -2.135 448 HB2 ASN 67 HB2 ASN 67 -12.393 -8.806 -3.730 449 HB3 ASN 67 HB1 ASN 67 -10.839 -8.254 -4.310 450 HD21 ASN 67 HD21 ASN 67 -13.131 -9.407 -5.703 451 HD22 ASN 67 HD22 ASN 67 -12.511 -10.765 -6.570 452 H ALA 68 HN ALA 68 -11.725 -8.497 -0.678 453 HA ALA 68 HA ALA 68 -13.613 -10.661 -0.089 454 HB1 ALA 68 HB1 ALA 68 -11.608 -9.420 1.772 455 HB2 ALA 68 HB2 ALA 68 -11.857 -11.130 1.418 456 HB3 ALA 68 HB3 ALA 68 -13.059 -10.239 2.359 457 H GLU 69 HN GLU 69 -15.358 -9.890 1.343 458 HA GLU 69 HA GLU 69 -15.594 -6.995 1.345 459 HB2 GLU 69 HB2 GLU 69 -18.074 -7.342 1.289 460 HB3 GLU 69 HB1 GLU 69 -17.180 -7.616 -0.201 461 HG2 GLU 69 HG2 GLU 69 -17.249 -9.968 0.119 462 HG3 GLU 69 HG1 GLU 69 -17.958 -9.749 1.712 463 H SER 70 HN SER 70 -14.622 -6.956 3.218 464 HA SER 70 HA SER 70 -15.728 -8.360 5.516 465 HB2 SER 70 HB2 SER 70 -13.245 -6.646 5.229 466 HB3 SER 70 HB1 SER 70 -13.676 -7.605 6.634 467 HG SER 70 HG SER 70 -12.191 -8.428 4.759 468 H THR 71 HN THR 71 -15.998 -7.042 7.584 469 HA THR 71 HA THR 71 -17.443 -4.647 6.978 470 HB THR 71 HB THR 71 -18.132 -6.086 8.870 471 HG1 THR 71 HG1 THR 71 -18.705 -3.872 8.894 472 HG21 THR 71 HG21 THR 71 -15.964 -6.780 9.696 473 HG22 THR 71 HG22 THR 71 -16.868 -5.983 10.983 474 HG23 THR 71 HG23 THR 71 -15.575 -5.121 10.148 475 H GLU 72 HN GLU 72 -14.317 -5.510 8.235 476 HA GLU 72 HA GLU 72 -13.288 -2.893 8.527 477 HB2 GLU 72 HB2 GLU 72 -12.146 -5.618 8.156 478 HB3 GLU 72 HB1 GLU 72 -11.090 -4.227 8.022 479 HG2 GLU 72 HG2 GLU 72 -12.824 -4.798 10.397 480 HG3 GLU 72 HG1 GLU 72 -11.140 -5.306 10.245 481 H ASN 73 HN ASN 73 -13.290 -1.474 6.891 482 HA ASN 73 HA ASN 73 -13.315 -2.200 4.134 483 HB2 ASN 73 HB2 ASN 73 -12.410 0.445 5.243 484 HB3 ASN 73 HB1 ASN 73 -13.119 0.149 3.673 485 HD21 ASN 73 HD21 ASN 73 -13.714 0.848 6.962 486 HD22 ASN 73 HD22 ASN 73 -15.440 0.889 6.865 487 H SER 74 HN SER 74 -10.822 -1.470 6.456 488 HA SER 74 HA SER 74 -8.681 -1.330 4.558 489 HB2 SER 74 HB2 SER 74 -8.407 -1.896 7.512 490 HB3 SER 74 HB1 SER 74 -7.263 -1.080 6.446 491 HG SER 74 HG SER 74 -8.312 0.738 6.697 492 H LYS 75 HN LYS 75 -10.514 -3.829 5.889 493 HA LYS 75 HA LYS 75 -8.382 -5.794 5.388 494 HB2 LYS 75 HB2 LYS 75 -9.276 -5.562 7.741 495 HB3 LYS 75 HB1 LYS 75 -10.809 -6.174 7.139 496 HG2 LYS 75 HG2 LYS 75 -9.487 -7.885 8.239 497 HG3 LYS 75 HG1 LYS 75 -9.745 -8.261 6.534 498 HD2 LYS 75 HD2 LYS 75 -7.395 -8.602 7.470 499 HD3 LYS 75 HD1 LYS 75 -7.537 -7.700 5.962 500 HE2 LYS 75 HE2 LYS 75 -7.430 -5.605 7.234 501 HE3 LYS 75 HE1 LYS 75 -7.233 -6.526 8.724 502 HZ1 LYS 75 HZ1 LYS 75 -5.110 -5.748 7.918 503 HZ2 LYS 75 HZ2 LYS 75 -5.356 -6.504 6.419 504 HZ3 LYS 75 HZ3 LYS 75 -5.169 -7.442 7.825 505 H LYS 76 HN LYS 76 -10.659 -4.500 3.694 506 HA LYS 76 HA LYS 76 -12.144 -6.827 2.890 507 HB2 LYS 76 HB2 LYS 76 -11.834 -4.185 1.485 508 HB3 LYS 76 HB1 LYS 76 -12.948 -5.459 1.030 509 HG2 LYS 76 HG2 LYS 76 -14.067 -5.173 3.237 510 HG3 LYS 76 HG1 LYS 76 -13.024 -3.775 3.518 511 HD2 LYS 76 HD2 LYS 76 -13.872 -3.009 1.194 512 HD3 LYS 76 HD1 LYS 76 -15.148 -4.170 1.472 513 HE2 LYS 76 HE2 LYS 76 -14.508 -1.891 3.322 514 HE3 LYS 76 HE1 LYS 76 -15.730 -1.831 2.060 515 HZ1 LYS 76 HZ1 LYS 76 -16.685 -2.339 4.228 516 HZ2 LYS 76 HZ2 LYS 76 -15.747 -3.746 4.326 517 HZ3 LYS 76 HZ3 LYS 76 -16.928 -3.604 3.127 518 H ILE 77 HN ILE 77 -9.366 -5.001 1.785 519 HA ILE 77 HA ILE 77 -8.893 -7.016 -0.289 520 HB ILE 77 HB ILE 77 -7.535 -4.348 0.093 521 HG12 ILE 77 HG12 ILE 77 -9.867 -4.090 -0.588 522 HG13 ILE 77 HG11 ILE 77 -8.795 -3.674 -1.922 523 HG21 ILE 77 HG21 ILE 77 -6.068 -5.949 -0.978 524 HG22 ILE 77 HG22 ILE 77 -6.611 -4.744 -2.152 525 HG23 ILE 77 HG23 ILE 77 -7.331 -6.355 -2.142 526 HD11 ILE 77 HD11 ILE 77 -10.199 -6.310 -1.587 527 HD12 ILE 77 HD12 ILE 77 -9.203 -5.812 -2.957 528 HD13 ILE 77 HD13 ILE 77 -10.733 -4.989 -2.631 529 H ILE 78 HN ILE 78 -7.637 -8.579 0.208 530 HA ILE 78 HA ILE 78 -5.758 -8.303 2.427 531 HB ILE 78 HB ILE 78 -6.578 -10.791 0.916 532 HG12 ILE 78 HG12 ILE 78 -7.694 -11.314 3.181 533 HG13 ILE 78 HG11 ILE 78 -7.548 -9.592 3.507 534 HG21 ILE 78 HG21 ILE 78 -4.368 -10.988 1.863 535 HG22 ILE 78 HG22 ILE 78 -5.502 -11.993 2.766 536 HG23 ILE 78 HG23 ILE 78 -4.966 -10.452 3.435 537 HD11 ILE 78 HD11 ILE 78 -8.966 -10.737 1.117 538 HD12 ILE 78 HD12 ILE 78 -8.959 -9.054 1.653 539 HD13 ILE 78 HD13 ILE 78 -9.765 -10.288 2.623 540 H CYS 79 HN CYS 79 -3.912 -7.433 1.754 541 HA CYS 79 HA CYS 79 -2.734 -8.319 -0.762 542 HB2 CYS 79 HB2 CYS 79 -1.815 -6.123 1.101 543 HB3 CYS 79 HB1 CYS 79 -1.257 -6.406 -0.546 544 H THR 80 HN THR 80 -1.370 -9.917 -0.732 545 HA THR 80 HA THR 80 0.068 -10.548 1.760 546 HB THR 80 HB THR 80 -0.979 -12.376 -0.409 547 HG1 THR 80 HG1 THR 80 -2.190 -11.438 1.633 548 HG21 THR 80 HG21 THR 80 0.732 -13.026 1.992 549 HG22 THR 80 HG22 THR 80 1.161 -13.233 0.293 550 HG23 THR 80 HG23 THR 80 -0.110 -14.224 1.008 551 H CYS 81 HN CYS 81 2.168 -10.014 1.580 552 HA CYS 81 HA CYS 81 3.423 -9.895 -1.016 553 HB2 CYS 81 HB2 CYS 81 4.786 -9.553 1.659 554 HB3 CYS 81 HB1 CYS 81 5.291 -8.923 0.097 555 H LYS 82 HN LYS 82 5.323 -11.124 -1.569 556 HA LYS 82 HA LYS 82 4.727 -13.889 -1.074 557 HB2 LYS 82 HB2 LYS 82 6.805 -12.686 -2.881 558 HB3 LYS 82 HB1 LYS 82 6.227 -14.343 -2.923 559 HG2 LYS 82 HG2 LYS 82 4.659 -11.861 -3.528 560 HG3 LYS 82 HG1 LYS 82 5.250 -13.046 -4.693 561 HD2 LYS 82 HD2 LYS 82 3.800 -14.739 -3.725 562 HD3 LYS 82 HD1 LYS 82 3.257 -13.592 -2.495 563 HE2 LYS 82 HE2 LYS 82 1.613 -13.691 -4.232 564 HE3 LYS 82 HE1 LYS 82 2.432 -12.129 -4.286 565 HZ1 LYS 82 HZ1 LYS 82 3.733 -12.847 -6.138 566 HZ2 LYS 82 HZ2 LYS 82 2.103 -13.136 -6.495 567 HZ3 LYS 82 HZ3 LYS 82 3.111 -14.421 -6.048 568 H GLU 83 HN GLU 83 6.843 -15.336 -1.339 569 HA GLU 83 HA GLU 83 8.077 -15.598 1.080 570 HB2 GLU 83 HB2 GLU 83 9.194 -16.380 -1.606 571 HB3 GLU 83 HB1 GLU 83 9.693 -17.041 -0.056 572 HG2 GLU 83 HG2 GLU 83 7.520 -17.986 0.281 573 HG3 GLU 83 HG1 GLU 83 6.918 -17.227 -1.183 574 HA PRO 84 HA PRO 84 12.035 -13.345 -0.284 575 HB2 PRO 84 HB2 PRO 84 12.173 -11.869 -2.502 576 HB3 PRO 84 HB1 PRO 84 12.321 -13.626 -2.563 577 HG2 PRO 84 HG2 PRO 84 10.001 -11.899 -3.256 578 HG3 PRO 84 HG1 PRO 84 10.560 -13.393 -4.029 579 HD2 PRO 84 HD2 PRO 84 8.469 -13.190 -2.194 580 HD3 PRO 84 HD1 PRO 84 9.320 -14.682 -2.629 581 H THR 85 HN THR 85 9.170 -12.146 0.239 582 HA THR 85 HA THR 85 10.148 -9.444 0.814 583 HB THR 85 HB THR 85 7.993 -8.522 0.278 584 HG1 THR 85 HG1 THR 85 7.117 -10.981 0.836 585 HG21 THR 85 HG21 THR 85 7.585 -9.337 -2.071 586 HG22 THR 85 HG22 THR 85 8.822 -10.567 -1.783 587 HG23 THR 85 HG23 THR 85 9.244 -8.854 -1.723 588 HA PRO 86 HA PRO 86 9.062 -11.723 4.711 589 HB2 PRO 86 HB2 PRO 86 11.202 -10.016 5.785 590 HB3 PRO 86 HB1 PRO 86 11.048 -11.773 5.850 591 HG2 PRO 86 HG2 PRO 86 12.883 -10.559 4.327 592 HG3 PRO 86 HG1 PRO 86 12.071 -12.047 3.793 593 HD2 PRO 86 HD2 PRO 86 11.537 -9.200 3.020 594 HD3 PRO 86 HD1 PRO 86 11.602 -10.652 2.003 595 H ASN 87 HN ASN 87 8.927 -8.617 3.588 596 HA ASN 87 HA ASN 87 7.600 -7.560 5.954 597 HB2 ASN 87 HB2 ASN 87 9.715 -6.039 4.444 598 HB3 ASN 87 HB1 ASN 87 8.943 -5.588 5.947 599 HD21 ASN 87 HD21 ASN 87 11.520 -7.162 4.490 600 HD22 ASN 87 HD22 ASN 87 12.263 -7.856 5.897 601 H ALA 88 HN ALA 88 6.986 -5.088 5.170 602 HA ALA 88 HA ALA 88 6.178 -5.114 2.372 603 HB1 ALA 88 HB1 ALA 88 3.823 -4.732 2.872 604 HB2 ALA 88 HB2 ALA 88 4.149 -4.923 4.594 605 HB3 ALA 88 HB3 ALA 88 4.361 -6.290 3.499 606 H TYR 89 HN TYR 89 5.769 -3.094 1.529 607 HA TYR 89 HA TYR 89 6.569 -0.780 3.037 608 HB2 TYR 89 HB2 TYR 89 5.045 -0.772 0.413 609 HB3 TYR 89 HB1 TYR 89 6.078 0.502 1.028 610 HD1 TYR 89 HD1 TYR 89 8.212 -1.966 1.734 611 HD2 TYR 89 HD2 TYR 89 6.260 -0.377 -1.685 612 HE1 TYR 89 HE1 TYR 89 10.042 -2.760 0.308 613 HE2 TYR 89 HE2 TYR 89 8.069 -1.174 -3.115 614 HH TYR 89 HH TYR 89 10.448 -1.711 -2.909 615 H TYR 90 HN TYR 90 5.271 -0.202 4.653 616 HA TYR 90 HA TYR 90 3.469 0.259 5.919 617 HB2 TYR 90 HB2 TYR 90 2.734 1.296 3.480 618 HB3 TYR 90 HB1 TYR 90 1.379 0.247 3.873 619 HD1 TYR 90 HD1 TYR 90 2.804 3.422 4.370 620 HD2 TYR 90 HD2 TYR 90 0.409 0.495 6.291 621 HE1 TYR 90 HE1 TYR 90 1.963 5.135 5.905 622 HE2 TYR 90 HE2 TYR 90 -0.458 2.203 7.831 623 HH TYR 90 HH TYR 90 0.137 4.356 8.713 624 H GLU 91 HN GLU 91 0.867 -1.031 4.291 625 HA GLU 91 HA GLU 91 0.908 -3.257 6.192 626 HB2 GLU 91 HB2 GLU 91 -1.489 -2.628 4.531 627 HB3 GLU 91 HB1 GLU 91 -1.398 -3.235 6.175 628 HG2 GLU 91 HG2 GLU 91 -0.510 -0.940 6.807 629 HG3 GLU 91 HG1 GLU 91 -1.032 -0.433 5.199 630 H GLY 92 HN GLY 92 1.714 -2.896 3.007 631 HA2 GLY 92 HA2 GLY 92 2.117 -5.073 1.806 632 HA3 GLY 92 HA1 GLY 92 0.438 -5.445 2.196 633 H VAL 93 HN VAL 93 0.467 -2.257 1.771 634 HA VAL 93 HA VAL 93 -0.821 -2.084 -0.664 635 HB VAL 93 HB VAL 93 0.977 0.076 0.476 636 HG11 VAL 93 HG11 VAL 93 0.056 0.534 -1.708 637 HG12 VAL 93 HG12 VAL 93 -0.652 1.595 -0.490 638 HG13 VAL 93 HG13 VAL 93 -1.571 0.218 -1.103 639 HG21 VAL 93 HG21 VAL 93 -0.385 -0.788 2.297 640 HG22 VAL 93 HG22 VAL 93 -1.841 -0.589 1.323 641 HG23 VAL 93 HG23 VAL 93 -0.920 0.826 1.832 642 H PHE 94 HN PHE 94 2.562 -2.009 0.167 643 HA PHE 94 HA PHE 94 3.189 -2.911 -2.487 644 HB2 PHE 94 HB2 PHE 94 5.337 -1.235 -2.076 645 HB3 PHE 94 HB1 PHE 94 4.051 -0.989 -3.231 646 HD1 PHE 94 HD1 PHE 94 2.506 -0.285 -0.147 647 HD2 PHE 94 HD2 PHE 94 5.449 1.251 -2.800 648 HE1 PHE 94 HE1 PHE 94 2.151 1.955 0.770 649 HE2 PHE 94 HE2 PHE 94 5.096 3.500 -1.880 650 HZ PHE 94 HZ PHE 94 3.442 3.857 -0.093 651 H CYS 95 HN CYS 95 5.375 -3.976 -2.540 652 HA CYS 95 HA CYS 95 6.576 -4.463 0.088 653 HB2 CYS 95 HB2 CYS 95 6.076 -6.929 -1.515 654 HB3 CYS 95 HB1 CYS 95 6.197 -6.725 0.232 655 H SER 96 HN SER 96 8.678 -5.714 -0.103 656 HA SER 96 HA SER 96 9.977 -5.105 -2.692 657 HB2 SER 96 HB2 SER 96 10.668 -3.821 -0.506 658 HB3 SER 96 HB1 SER 96 11.524 -5.313 -0.131 659 HG SER 96 HG SER 96 11.842 -3.735 -2.475 660 H SER 97 HN SER 97 10.990 -6.736 -3.715 661 HA SER 97 HA SER 97 10.783 -9.354 -2.422 662 HB2 SER 97 HB2 SER 97 11.147 -8.640 -5.334 663 HB3 SER 97 HB1 SER 97 10.905 -10.265 -4.703 664 HG SER 97 HG SER 97 9.086 -8.091 -4.494 665 H SER 98 HN SER 98 13.184 -7.112 -3.111 666 HA SER 98 HA SER 98 15.200 -9.129 -3.720 667 HB2 SER 98 HB2 SER 98 15.514 -6.127 -3.549 668 HB3 SER 98 HB1 SER 98 16.665 -7.273 -4.240 669 HG SER 98 HG SER 98 15.126 -6.090 -5.704 670 H SER 99 HN SER 99 14.372 -9.619 -1.206 671 HA SER 99 HA SER 99 16.271 -8.281 0.575 672 HB2 SER 99 HB2 SER 99 14.996 -9.337 2.429 673 HB3 SER 99 HB1 SER 99 13.968 -8.372 1.374 674 HG SER 99 HG SER 99 13.262 -10.283 0.384 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 20.382 -3.352 -2.518 2 H2 GLY 1 HT2 GLY 1 19.480 -3.473 -3.953 3 H3 GLY 1 HT3 GLY 1 19.833 -4.861 -3.052 4 HA2 GLY 1 HA2 GLY 1 17.525 -4.090 -2.775 5 HA3 GLY 1 HA1 GLY 1 18.170 -2.610 -2.082 6 H VAL 2 HN VAL 2 16.488 -3.927 -0.538 7 HA VAL 2 HA VAL 2 17.770 -5.943 1.051 8 HB VAL 2 HB VAL 2 18.628 -3.662 1.924 9 HG11 VAL 2 HG11 VAL 2 17.102 -2.555 3.530 10 HG12 VAL 2 HG12 VAL 2 15.790 -3.600 2.966 11 HG13 VAL 2 HG13 VAL 2 16.538 -2.441 1.863 12 HG21 VAL 2 HG21 VAL 2 18.758 -5.857 3.094 13 HG22 VAL 2 HG22 VAL 2 17.230 -5.470 3.891 14 HG23 VAL 2 HG23 VAL 2 18.657 -4.468 4.180 15 H ASP 3 HN ASP 3 16.287 -6.596 2.869 16 HA ASP 3 HA ASP 3 13.755 -7.182 2.093 17 HB2 ASP 3 HB2 ASP 3 13.333 -7.774 4.347 18 HB3 ASP 3 HB1 ASP 3 15.011 -8.141 4.020 19 HA PRO 4 HA PRO 4 11.465 -3.651 1.403 20 HB2 PRO 4 HB2 PRO 4 9.106 -4.630 2.618 21 HB3 PRO 4 HB1 PRO 4 9.555 -4.660 0.919 22 HG2 PRO 4 HG2 PRO 4 9.799 -6.747 2.988 23 HG3 PRO 4 HG1 PRO 4 9.547 -6.926 1.243 24 HD2 PRO 4 HD2 PRO 4 11.866 -7.489 2.396 25 HD3 PRO 4 HD1 PRO 4 11.799 -6.726 0.809 26 H LYS 5 HN LYS 5 11.929 -4.486 4.759 27 HA LYS 5 HA LYS 5 10.088 -2.526 5.769 28 HB2 LYS 5 HB2 LYS 5 11.021 -3.027 7.981 29 HB3 LYS 5 HB1 LYS 5 10.527 -4.464 7.124 30 HG2 LYS 5 HG2 LYS 5 12.511 -5.199 7.925 31 HG3 LYS 5 HG1 LYS 5 13.087 -4.469 6.427 32 HD2 LYS 5 HD2 LYS 5 13.707 -2.450 7.611 33 HD3 LYS 5 HD1 LYS 5 13.029 -3.084 9.108 34 HE2 LYS 5 HE2 LYS 5 15.373 -3.381 9.251 35 HE3 LYS 5 HE1 LYS 5 14.683 -4.971 8.931 36 HZ1 LYS 5 HZ1 LYS 5 15.849 -3.203 6.850 37 HZ2 LYS 5 HZ2 LYS 5 15.335 -4.812 6.646 38 HZ3 LYS 5 HZ3 LYS 5 16.685 -4.463 7.609 39 H HIS 6 HN HIS 6 12.557 -1.752 4.060 40 HA HIS 6 HA HIS 6 14.127 -0.147 5.803 41 HB2 HIS 6 HB2 HIS 6 14.863 0.937 3.549 42 HB3 HIS 6 HB1 HIS 6 15.358 -0.704 3.953 43 HD1 HIS 6 HD1 HIS 6 13.883 -2.641 2.771 44 HD2 HIS 6 HD2 HIS 6 13.594 1.185 1.182 45 HE1 HIS 6 HE1 HIS 6 12.788 -2.917 0.533 46 HE2 HIS 6 HE2 HIS 6 12.936 -0.646 -0.533 47 H VAL 7 HN VAL 7 11.106 0.262 5.471 48 HA VAL 7 HA VAL 7 9.617 1.905 5.804 49 HB VAL 7 HB VAL 7 10.218 3.541 7.469 50 HG11 VAL 7 HG11 VAL 7 11.504 0.840 7.869 51 HG12 VAL 7 HG12 VAL 7 9.845 1.305 8.245 52 HG13 VAL 7 HG13 VAL 7 11.183 1.992 9.166 53 HG21 VAL 7 HG21 VAL 7 12.364 4.301 6.586 54 HG22 VAL 7 HG22 VAL 7 13.092 2.749 6.995 55 HG23 VAL 7 HG23 VAL 7 12.511 3.816 8.274 56 H CYS 8 HN CYS 8 10.080 4.747 6.141 57 HA CYS 8 HA CYS 8 10.886 5.719 3.544 58 HB2 CYS 8 HB2 CYS 8 8.788 4.847 2.916 59 HB3 CYS 8 HB1 CYS 8 8.012 5.458 4.352 60 H VAL 9 HN VAL 9 11.041 7.837 3.388 61 HA VAL 9 HA VAL 9 9.666 9.608 5.246 62 HB VAL 9 HB VAL 9 11.827 11.062 5.067 63 HG11 VAL 9 HG11 VAL 9 11.880 8.564 6.756 64 HG12 VAL 9 HG12 VAL 9 11.023 10.050 7.168 65 HG13 VAL 9 HG13 VAL 9 12.784 10.046 7.066 66 HG21 VAL 9 HG21 VAL 9 13.889 9.678 4.889 67 HG22 VAL 9 HG22 VAL 9 12.939 9.717 3.394 68 HG23 VAL 9 HG23 VAL 9 12.866 8.301 4.450 69 H ASP 10 HN ASP 10 8.302 10.381 3.710 70 HA ASP 10 HA ASP 10 9.455 11.229 1.156 71 HB2 ASP 10 HB2 ASP 10 8.480 9.126 0.713 72 HB3 ASP 10 HB1 ASP 10 7.062 9.490 1.665 73 H THR 11 HN THR 11 8.147 12.758 -0.020 74 HA THR 11 HA THR 11 6.880 14.653 -0.235 75 HB THR 11 HB THR 11 5.251 12.229 0.265 76 HG1 THR 11 HG1 THR 11 6.261 12.234 -1.659 77 HG21 THR 11 HG21 THR 11 3.748 13.964 0.977 78 HG22 THR 11 HG22 THR 11 3.252 13.367 -0.609 79 HG23 THR 11 HG23 THR 11 4.098 14.913 -0.472 80 H ARG 12 HN ARG 12 5.995 16.309 0.459 81 HA ARG 12 HA ARG 12 6.436 17.060 3.089 82 HB2 ARG 12 HB2 ARG 12 4.891 18.404 0.921 83 HB3 ARG 12 HB1 ARG 12 5.395 19.183 2.400 84 HG2 ARG 12 HG2 ARG 12 6.956 19.850 0.824 85 HG3 ARG 12 HG1 ARG 12 7.758 18.562 1.717 86 HD2 ARG 12 HD2 ARG 12 8.078 18.530 -0.762 87 HD3 ARG 12 HD1 ARG 12 7.505 17.036 -0.037 88 HE ARG 12 HE ARG 12 5.348 18.650 -0.975 89 HH11 ARG 12 HH11 ARG 12 7.816 16.379 -1.976 90 HH12 ARG 12 HH12 ARG 12 7.005 15.941 -3.455 91 HH21 ARG 12 HH21 ARG 12 4.251 18.053 -2.905 92 HH22 ARG 12 HH22 ARG 12 4.970 16.888 -3.979 93 H ASP 13 HN ASP 13 3.439 16.624 1.299 94 HA ASP 13 HA ASP 13 2.078 16.081 3.850 95 HB2 ASP 13 HB2 ASP 13 1.396 18.310 3.143 96 HB3 ASP 13 HB1 ASP 13 0.974 17.704 1.548 97 H ILE 14 HN ILE 14 2.575 13.872 3.259 98 HA ILE 14 HA ILE 14 1.272 12.601 1.083 99 HB ILE 14 HB ILE 14 2.197 11.491 3.745 100 HG12 ILE 14 HG12 ILE 14 3.456 10.681 1.216 101 HG13 ILE 14 HG11 ILE 14 3.679 12.375 1.642 102 HG21 ILE 14 HG21 ILE 14 1.036 10.093 1.351 103 HG22 ILE 14 HG22 ILE 14 0.516 9.989 3.033 104 HG23 ILE 14 HG23 ILE 14 2.055 9.266 2.535 105 HD11 ILE 14 HD11 ILE 14 4.661 11.758 3.731 106 HD12 ILE 14 HD12 ILE 14 5.489 10.922 2.415 107 HD13 ILE 14 HD13 ILE 14 4.327 10.053 3.423 108 HA PRO 15 HA PRO 15 -2.915 13.122 2.125 109 HB2 PRO 15 HB2 PRO 15 -3.101 10.337 1.062 110 HB3 PRO 15 HB1 PRO 15 -4.057 11.760 0.646 111 HG2 PRO 15 HG2 PRO 15 -2.222 11.016 -1.021 112 HG3 PRO 15 HG1 PRO 15 -2.281 12.728 -0.557 113 HD2 PRO 15 HD2 PRO 15 -0.501 10.559 0.494 114 HD3 PRO 15 HD1 PRO 15 -0.052 12.173 -0.063 115 H LYS 16 HN LYS 16 -4.409 12.560 3.715 116 HA LYS 16 HA LYS 16 -3.768 10.700 5.729 117 HB2 LYS 16 HB2 LYS 16 -5.395 12.594 5.898 118 HB3 LYS 16 HB1 LYS 16 -6.505 11.667 4.897 119 HG2 LYS 16 HG2 LYS 16 -6.310 9.853 6.654 120 HG3 LYS 16 HG1 LYS 16 -5.541 11.077 7.669 121 HD2 LYS 16 HD2 LYS 16 -7.511 12.517 7.363 122 HD3 LYS 16 HD1 LYS 16 -8.280 11.227 6.439 123 HE2 LYS 16 HE2 LYS 16 -7.451 11.134 9.340 124 HE3 LYS 16 HE1 LYS 16 -9.099 11.183 8.715 125 HZ1 LYS 16 HZ1 LYS 16 -8.462 8.942 9.376 126 HZ2 LYS 16 HZ2 LYS 16 -7.154 8.968 8.301 127 HZ3 LYS 16 HZ3 LYS 16 -8.743 9.011 7.709 128 H ASN 17 HN ASN 17 -4.731 8.604 6.063 129 HA ASN 17 HA ASN 17 -5.374 6.502 5.414 130 HB2 ASN 17 HB2 ASN 17 -6.638 7.738 2.964 131 HB3 ASN 17 HB1 ASN 17 -7.063 6.219 3.733 132 HD21 ASN 17 HD21 ASN 17 -7.290 9.632 3.818 133 HD22 ASN 17 HD22 ASN 17 -8.593 9.740 4.967 134 H ALA 18 HN ALA 18 -3.178 8.298 4.075 135 HA ALA 18 HA ALA 18 -2.350 6.262 2.115 136 HB1 ALA 18 HB1 ALA 18 -1.593 9.188 2.096 137 HB2 ALA 18 HB2 ALA 18 -2.799 8.432 1.052 138 HB3 ALA 18 HB3 ALA 18 -1.106 7.961 0.922 139 H GLY 19 HN GLY 19 -0.273 5.591 2.119 140 HA2 GLY 19 HA2 GLY 19 1.451 6.566 4.305 141 HA3 GLY 19 HA1 GLY 19 1.282 4.846 3.961 142 H CYS 20 HN CYS 20 3.720 6.351 3.922 143 HA CYS 20 HA CYS 20 4.264 6.585 1.050 144 HB2 CYS 20 HB2 CYS 20 5.778 8.279 1.490 145 HB3 CYS 20 HB1 CYS 20 4.551 8.566 2.710 146 H PHE 21 HN PHE 21 6.133 5.721 0.199 147 HA PHE 21 HA PHE 21 7.717 4.029 1.998 148 HB2 PHE 21 HB2 PHE 21 6.434 2.476 0.814 149 HB3 PHE 21 HB1 PHE 21 6.693 3.294 -0.716 150 HD1 PHE 21 HD1 PHE 21 8.518 1.797 1.986 151 HD2 PHE 21 HD2 PHE 21 8.376 2.436 -2.145 152 HE1 PHE 21 HE1 PHE 21 10.484 0.361 1.735 153 HE2 PHE 21 HE2 PHE 21 10.354 1.019 -2.451 154 HZ PHE 21 HZ PHE 21 11.412 -0.032 -0.475 155 H ARG 22 HN ARG 22 9.849 4.017 1.750 156 HA ARG 22 HA ARG 22 10.974 5.411 -0.574 157 HB2 ARG 22 HB2 ARG 22 11.176 6.948 1.297 158 HB3 ARG 22 HB1 ARG 22 11.880 5.679 2.285 159 HG2 ARG 22 HG2 ARG 22 13.829 5.609 1.011 160 HG3 ARG 22 HG1 ARG 22 13.130 6.615 -0.248 161 HD2 ARG 22 HD2 ARG 22 12.891 8.114 2.062 162 HD3 ARG 22 HD1 ARG 22 14.487 7.360 2.181 163 HE ARG 22 HE ARG 22 13.734 8.591 -0.339 164 HH11 ARG 22 HH11 ARG 22 15.618 8.723 2.613 165 HH12 ARG 22 HH12 ARG 22 16.690 9.962 2.027 166 HH21 ARG 22 HH21 ARG 22 15.136 10.237 -1.109 167 HH22 ARG 22 HH22 ARG 22 16.433 10.809 -0.098 168 H ASP 23 HN ASP 23 12.279 4.068 -1.675 169 HA ASP 23 HA ASP 23 12.713 1.494 -0.454 170 HB2 ASP 23 HB2 ASP 23 12.915 0.613 -2.523 171 HB3 ASP 23 HB1 ASP 23 12.060 2.089 -2.966 172 H ASP 24 HN ASP 24 14.974 0.468 -1.376 173 HA ASP 24 HA ASP 24 16.952 1.520 0.324 174 HB2 ASP 24 HB2 ASP 24 16.963 -0.805 -0.148 175 HB3 ASP 24 HB1 ASP 24 17.025 -0.518 -1.879 176 H ASP 25 HN ASP 25 16.274 2.005 -3.081 177 HA ASP 25 HA ASP 25 18.805 3.211 -3.703 178 HB2 ASP 25 HB2 ASP 25 17.320 2.160 -5.411 179 HB3 ASP 25 HB1 ASP 25 16.166 3.469 -5.173 180 H GLY 26 HN GLY 26 15.782 4.309 -2.411 181 HA2 GLY 26 HA2 GLY 26 15.930 6.400 -1.084 182 HA3 GLY 26 HA1 GLY 26 16.796 7.087 -2.450 183 H THR 27 HN THR 27 14.575 5.117 -3.731 184 HA THR 27 HA THR 27 12.986 7.139 -4.873 185 HB THR 27 HB THR 27 12.275 4.240 -4.527 186 HG1 THR 27 HG1 THR 27 14.270 4.159 -5.419 187 HG21 THR 27 HG21 THR 27 11.134 4.506 -6.676 188 HG22 THR 27 HG22 THR 27 11.603 6.205 -6.718 189 HG23 THR 27 HG23 THR 27 10.495 5.625 -5.473 190 H GLU 28 HN GLU 28 11.198 8.143 -4.124 191 HA GLU 28 HA GLU 28 9.899 7.003 -1.741 192 HB2 GLU 28 HB2 GLU 28 10.235 9.898 -2.531 193 HB3 GLU 28 HB1 GLU 28 9.341 9.332 -1.126 194 HG2 GLU 28 HG2 GLU 28 11.236 8.773 0.034 195 HG3 GLU 28 HG1 GLU 28 12.185 8.520 -1.423 196 H GLU 29 HN GLU 29 7.860 6.485 -1.876 197 HA GLU 29 HA GLU 29 6.101 7.926 -3.719 198 HB2 GLU 29 HB2 GLU 29 6.742 6.128 -5.153 199 HB3 GLU 29 HB1 GLU 29 6.614 4.959 -3.844 200 HG2 GLU 29 HG2 GLU 29 4.178 5.352 -3.774 201 HG3 GLU 29 HG1 GLU 29 4.334 6.434 -5.150 202 H TRP 30 HN TRP 30 4.239 8.321 -2.697 203 HA TRP 30 HA TRP 30 3.527 6.555 -0.491 204 HB2 TRP 30 HB2 TRP 30 1.887 8.240 0.150 205 HB3 TRP 30 HB1 TRP 30 3.491 8.947 0.017 206 HD1 TRP 30 HD TRP 30 3.763 10.971 -1.565 207 HE1 TRP 30 HE1 TRP 30 2.160 12.279 -3.104 208 HE3 TRP 30 HE3 TRP 30 -0.197 7.763 -1.475 209 HZ2 TRP 30 HZ2 TRP 30 -0.482 11.984 -4.115 210 HZ3 TRP 30 HZ3 TRP 30 -2.232 8.358 -2.742 211 HH2 TRP 30 HH TRP 30 -2.357 10.427 -4.039 212 H ARG 31 HN ARG 31 1.420 5.734 -0.345 213 HA ARG 31 HA ARG 31 -0.122 5.566 -2.823 214 HB2 ARG 31 HB2 ARG 31 0.830 3.161 -1.262 215 HB3 ARG 31 HB1 ARG 31 -0.397 3.108 -2.515 216 HG2 ARG 31 HG2 ARG 31 1.402 4.054 -4.072 217 HG3 ARG 31 HG1 ARG 31 2.535 3.627 -2.790 218 HD2 ARG 31 HD2 ARG 31 1.596 1.300 -2.853 219 HD3 ARG 31 HD1 ARG 31 0.700 1.773 -4.296 220 HE ARG 31 HE ARG 31 3.487 2.347 -4.554 221 HH11 ARG 31 HH11 ARG 31 1.275 -0.389 -4.549 222 HH12 ARG 31 HH12 ARG 31 2.195 -1.279 -5.717 223 HH21 ARG 31 HH21 ARG 31 4.662 1.184 -6.106 224 HH22 ARG 31 HH22 ARG 31 4.126 -0.396 -6.603 225 H CYS 32 HN CYS 32 -2.095 3.966 -2.132 226 HA CYS 32 HA CYS 32 -3.225 5.331 0.223 227 HB2 CYS 32 HB2 CYS 32 -4.678 4.088 -2.137 228 HB3 CYS 32 HB1 CYS 32 -5.419 4.999 -0.824 229 H LEU 33 HN LEU 33 -3.870 4.114 1.851 230 HA LEU 33 HA LEU 33 -2.741 1.585 2.116 231 HB2 LEU 33 HB2 LEU 33 -4.955 2.737 3.769 232 HB3 LEU 33 HB1 LEU 33 -3.852 1.487 4.268 233 HG LEU 33 HG LEU 33 -3.545 4.419 4.228 234 HD11 LEU 33 HD11 LEU 33 -3.838 3.189 6.284 235 HD12 LEU 33 HD12 LEU 33 -2.245 3.947 6.234 236 HD13 LEU 33 HD13 LEU 33 -2.407 2.215 5.927 237 HD21 LEU 33 HD21 LEU 33 -1.042 2.787 3.984 238 HD22 LEU 33 HD22 LEU 33 -1.263 4.547 3.879 239 HD23 LEU 33 HD23 LEU 33 -1.823 3.502 2.570 240 H LEU 34 HN LEU 34 -3.976 -0.376 2.807 241 HA LEU 34 HA LEU 34 -5.403 -1.176 0.544 242 HB2 LEU 34 HB2 LEU 34 -4.977 -2.612 3.151 243 HB3 LEU 34 HB1 LEU 34 -5.449 -3.350 1.626 244 HG LEU 34 HG LEU 34 -2.836 -1.958 2.196 245 HD11 LEU 34 HD11 LEU 34 -2.900 -4.102 3.242 246 HD12 LEU 34 HD12 LEU 34 -1.885 -4.200 1.802 247 HD13 LEU 34 HD13 LEU 34 -3.523 -4.853 1.771 248 HD21 LEU 34 HD21 LEU 34 -2.194 -2.684 -0.050 249 HD22 LEU 34 HD22 LEU 34 -3.545 -1.550 -0.080 250 HD23 LEU 34 HD23 LEU 34 -3.834 -3.273 -0.324 251 H GLY 35 HN GLY 35 -7.492 -1.379 0.160 252 HA2 GLY 35 HA2 GLY 35 -9.770 -1.407 0.582 253 HA3 GLY 35 HA1 GLY 35 -9.427 -1.261 2.304 254 H TYR 36 HN TYR 36 -7.749 0.901 0.280 255 HA TYR 36 HA TYR 36 -9.766 3.004 0.580 256 HB2 TYR 36 HB2 TYR 36 -6.755 3.292 0.801 257 HB3 TYR 36 HB1 TYR 36 -7.915 4.597 0.840 258 HD1 TYR 36 HD1 TYR 36 -6.175 4.751 2.914 259 HD2 TYR 36 HD2 TYR 36 -9.489 2.141 2.652 260 HE1 TYR 36 HE1 TYR 36 -6.240 4.572 5.361 261 HE2 TYR 36 HE2 TYR 36 -9.567 1.953 5.087 262 HH TYR 36 HH TYR 36 -8.042 2.219 6.996 263 H LYS 37 HN LYS 37 -9.310 4.791 -1.021 264 HA LYS 37 HA LYS 37 -8.195 3.748 -3.525 265 HB2 LYS 37 HB2 LYS 37 -10.142 4.685 -4.712 266 HB3 LYS 37 HB1 LYS 37 -10.616 3.420 -3.593 267 HG2 LYS 37 HG2 LYS 37 -11.247 5.176 -1.964 268 HG3 LYS 37 HG1 LYS 37 -10.887 6.388 -3.197 269 HD2 LYS 37 HD2 LYS 37 -12.566 5.373 -4.665 270 HD3 LYS 37 HD1 LYS 37 -12.918 4.181 -3.404 271 HE2 LYS 37 HE2 LYS 37 -13.801 5.829 -1.961 272 HE3 LYS 37 HE1 LYS 37 -13.139 7.144 -2.930 273 HZ1 LYS 37 HZ1 LYS 37 -15.547 6.837 -3.214 274 HZ2 LYS 37 HZ2 LYS 37 -15.278 5.296 -3.862 275 HZ3 LYS 37 HZ3 LYS 37 -14.697 6.667 -4.664 276 H LYS 38 HN LYS 38 -8.236 5.670 -5.163 277 HA LYS 38 HA LYS 38 -7.043 7.964 -3.808 278 HB2 LYS 38 HB2 LYS 38 -6.038 6.772 -5.882 279 HB3 LYS 38 HB1 LYS 38 -7.281 7.619 -6.788 280 HG2 LYS 38 HG2 LYS 38 -5.346 8.939 -6.938 281 HG3 LYS 38 HG1 LYS 38 -6.409 9.750 -5.783 282 HD2 LYS 38 HD2 LYS 38 -4.499 9.813 -4.562 283 HD3 LYS 38 HD1 LYS 38 -5.061 8.194 -4.086 284 HE2 LYS 38 HE2 LYS 38 -3.188 8.747 -6.384 285 HE3 LYS 38 HE1 LYS 38 -2.645 8.334 -4.759 286 HZ1 LYS 38 HZ1 LYS 38 -4.249 6.640 -6.596 287 HZ2 LYS 38 HZ2 LYS 38 -3.926 6.232 -4.988 288 HZ3 LYS 38 HZ3 LYS 38 -2.651 6.370 -6.097 289 H GLY 39 HN GLY 39 -8.083 9.802 -3.517 290 HA2 GLY 39 HA2 GLY 39 -10.818 10.017 -4.479 291 HA3 GLY 39 HA1 GLY 39 -10.006 11.123 -3.374 292 H GLU 40 HN GLU 40 -8.715 12.779 -4.197 293 HA GLU 40 HA GLU 40 -8.896 13.236 -7.085 294 HB2 GLU 40 HB2 GLU 40 -8.016 15.422 -6.690 295 HB3 GLU 40 HB1 GLU 40 -9.243 15.140 -5.465 296 HG2 GLU 40 HG2 GLU 40 -7.511 14.635 -3.829 297 HG3 GLU 40 HG1 GLU 40 -6.269 14.897 -5.057 298 H GLY 41 HN GLY 41 -6.632 14.184 -7.911 299 HA2 GLY 41 HA2 GLY 41 -5.002 12.054 -8.373 300 HA3 GLY 41 HA1 GLY 41 -4.449 13.718 -8.454 301 H ASN 42 HN ASN 42 -4.699 14.295 -5.645 302 HA ASN 42 HA ASN 42 -2.565 12.543 -4.612 303 HB2 ASN 42 HB2 ASN 42 -2.815 15.545 -4.413 304 HB3 ASN 42 HB1 ASN 42 -1.723 14.604 -3.405 305 HD21 ASN 42 HD21 ASN 42 0.023 13.615 -4.310 306 HD22 ASN 42 HD22 ASN 42 0.652 14.073 -5.849 307 H THR 43 HN THR 43 -5.096 11.844 -3.926 308 HA THR 43 HA THR 43 -4.895 12.260 -1.050 309 HB THR 43 HB THR 43 -7.455 12.359 -0.942 310 HG1 THR 43 HG1 THR 43 -6.953 12.701 -3.635 311 HG21 THR 43 HG21 THR 43 -6.050 14.170 -0.212 312 HG22 THR 43 HG22 THR 43 -7.422 14.824 -1.111 313 HG23 THR 43 HG23 THR 43 -5.832 14.717 -1.874 314 H CYS 44 HN CYS 44 -5.386 10.530 0.117 315 HA CYS 44 HA CYS 44 -6.574 8.254 -1.309 316 HB2 CYS 44 HB2 CYS 44 -4.745 8.256 1.099 317 HB3 CYS 44 HB1 CYS 44 -5.446 6.820 0.347 318 H VAL 45 HN VAL 45 -8.272 7.201 -0.403 319 HA VAL 45 HA VAL 45 -9.465 8.323 2.009 320 HB VAL 45 HB VAL 45 -11.649 8.617 0.868 321 HG11 VAL 45 HG11 VAL 45 -11.162 10.772 -0.135 322 HG12 VAL 45 HG12 VAL 45 -9.471 10.327 -0.355 323 HG13 VAL 45 HG13 VAL 45 -10.120 10.542 1.275 324 HG21 VAL 45 HG21 VAL 45 -10.046 8.293 -1.679 325 HG22 VAL 45 HG22 VAL 45 -11.740 8.773 -1.577 326 HG23 VAL 45 HG23 VAL 45 -11.249 7.155 -1.069 327 H GLU 46 HN GLU 46 -10.829 6.989 3.037 328 HA GLU 46 HA GLU 46 -10.645 4.232 2.593 329 HB2 GLU 46 HB2 GLU 46 -12.567 5.930 4.166 330 HB3 GLU 46 HB1 GLU 46 -12.579 4.168 4.235 331 HG2 GLU 46 HG2 GLU 46 -10.447 4.101 5.233 332 HG3 GLU 46 HG1 GLU 46 -10.142 5.803 4.875 333 H ASN 47 HN ASN 47 -11.491 3.211 0.834 334 HA ASN 47 HA ASN 47 -13.530 4.472 -0.680 335 HB2 ASN 47 HB2 ASN 47 -13.324 2.299 -2.002 336 HB3 ASN 47 HB1 ASN 47 -11.967 3.372 -2.011 337 HD21 ASN 47 HD21 ASN 47 -10.634 1.804 -2.605 338 HD22 ASN 47 HD22 ASN 47 -10.160 0.539 -1.555 339 H ASN 48 HN ASN 48 -13.384 1.714 1.470 340 HA ASN 48 HA ASN 48 -14.994 0.616 2.625 341 HB2 ASN 48 HB2 ASN 48 -16.685 2.877 1.605 342 HB3 ASN 48 HB1 ASN 48 -17.424 1.512 2.433 343 HD21 ASN 48 HD21 ASN 48 -14.235 2.697 3.203 344 HD22 ASN 48 HD22 ASN 48 -14.635 3.329 4.766 345 H ASN 49 HN ASN 49 -15.472 1.228 -0.767 346 HA ASN 49 HA ASN 49 -16.459 -1.504 -0.996 347 HB2 ASN 49 HB2 ASN 49 -17.275 -0.670 -3.212 348 HB3 ASN 49 HB1 ASN 49 -18.202 -0.201 -1.807 349 HD21 ASN 49 HD21 ASN 49 -16.028 0.830 -4.321 350 HD22 ASN 49 HD22 ASN 49 -16.288 2.530 -4.129 351 HA PRO 50 HA PRO 50 -12.311 -0.882 -3.189 352 HB2 PRO 50 HB2 PRO 50 -10.920 -2.690 -1.690 353 HB3 PRO 50 HB1 PRO 50 -10.952 -0.961 -1.383 354 HG2 PRO 50 HG2 PRO 50 -12.360 -3.147 -0.007 355 HG3 PRO 50 HG1 PRO 50 -11.784 -1.593 0.619 356 HD2 PRO 50 HD2 PRO 50 -14.411 -2.163 0.004 357 HD3 PRO 50 HD1 PRO 50 -13.738 -0.550 0.108 358 H THR 51 HN THR 51 -11.824 -2.113 -4.854 359 HA THR 51 HA THR 51 -12.871 -4.862 -4.916 360 HB THR 51 HB THR 51 -14.201 -3.334 -6.327 361 HG1 THR 51 HG1 THR 51 -14.403 -5.118 -7.418 362 HG21 THR 51 HG21 THR 51 -13.227 -2.368 -8.357 363 HG22 THR 51 HG22 THR 51 -11.634 -2.954 -7.879 364 HG23 THR 51 HG23 THR 51 -12.447 -1.721 -6.913 365 H CYS 52 HN CYS 52 -11.546 -6.423 -5.950 366 HA CYS 52 HA CYS 52 -8.819 -5.570 -6.539 367 HB2 CYS 52 HB2 CYS 52 -9.564 -7.841 -5.427 368 HB3 CYS 52 HB1 CYS 52 -9.918 -8.326 -7.079 369 H ASP 53 HN ASP 53 -8.123 -5.287 -8.618 370 HA ASP 53 HA ASP 53 -9.069 -5.601 -11.086 371 HB2 ASP 53 HB2 ASP 53 -11.395 -5.129 -10.129 372 HB3 ASP 53 HB1 ASP 53 -10.850 -3.491 -9.830 373 H ILE 54 HN ILE 54 -9.136 -2.902 -8.840 374 HA ILE 54 HA ILE 54 -7.691 -1.056 -10.418 375 HB ILE 54 HB ILE 54 -7.987 -1.154 -7.417 376 HG12 ILE 54 HG12 ILE 54 -9.659 0.354 -9.443 377 HG13 ILE 54 HG11 ILE 54 -10.144 -1.164 -8.695 378 HG21 ILE 54 HG21 ILE 54 -7.329 1.173 -9.227 379 HG22 ILE 54 HG22 ILE 54 -6.142 0.259 -8.275 380 HG23 ILE 54 HG23 ILE 54 -7.413 1.194 -7.461 381 HD11 ILE 54 HD11 ILE 54 -11.185 0.780 -7.638 382 HD12 ILE 54 HD12 ILE 54 -9.588 1.404 -7.224 383 HD13 ILE 54 HD13 ILE 54 -10.157 -0.108 -6.513 384 H ASN 55 HN ASN 55 -5.828 -2.069 -11.149 385 HA ASN 55 HA ASN 55 -3.612 -2.613 -11.110 386 HB2 ASN 55 HB2 ASN 55 -3.482 -0.767 -9.340 387 HB3 ASN 55 HB1 ASN 55 -3.569 -2.043 -8.155 388 HD21 ASN 55 HD21 ASN 55 -1.521 -1.785 -7.344 389 HD22 ASN 55 HD22 ASN 55 -0.099 -2.114 -8.262 390 H ASN 56 HN ASN 56 -5.211 -3.543 -8.203 391 HA ASN 56 HA ASN 56 -5.382 -6.239 -8.335 392 HB2 ASN 56 HB2 ASN 56 -3.441 -7.058 -7.050 393 HB3 ASN 56 HB1 ASN 56 -2.988 -6.442 -8.633 394 HD21 ASN 56 HD21 ASN 56 -1.175 -6.782 -6.791 395 HD22 ASN 56 HD22 ASN 56 -0.628 -5.258 -6.235 396 H GLY 57 HN GLY 57 -6.712 -4.044 -7.201 397 HA2 GLY 57 HA2 GLY 57 -8.079 -3.955 -5.316 398 HA3 GLY 57 HA1 GLY 57 -6.971 -5.046 -4.501 399 H GLY 58 HN GLY 58 -4.918 -2.903 -5.719 400 HA2 GLY 58 HA2 GLY 58 -4.250 -0.740 -4.877 401 HA3 GLY 58 HA1 GLY 58 -5.160 -1.093 -3.405 402 H CYS 59 HN CYS 59 -3.322 -3.559 -4.878 403 HA CYS 59 HA CYS 59 -1.468 -3.641 -2.608 404 HB2 CYS 59 HB2 CYS 59 -2.096 -5.856 -4.566 405 HB3 CYS 59 HB1 CYS 59 -1.339 -6.005 -2.998 406 H ASP 60 HN ASP 60 0.523 -5.005 -3.415 407 HA ASP 60 HA ASP 60 1.656 -3.630 -5.750 408 HB2 ASP 60 HB2 ASP 60 2.796 -3.789 -3.468 409 HB3 ASP 60 HB1 ASP 60 2.969 -5.506 -3.775 410 HA PRO 61 HA PRO 61 0.818 -7.104 -8.288 411 HB2 PRO 61 HB2 PRO 61 3.588 -6.838 -9.322 412 HB3 PRO 61 HB1 PRO 61 2.057 -6.819 -10.193 413 HG2 PRO 61 HG2 PRO 61 3.497 -4.598 -9.765 414 HG3 PRO 61 HG1 PRO 61 1.726 -4.583 -9.831 415 HD2 PRO 61 HD2 PRO 61 3.535 -4.346 -7.495 416 HD3 PRO 61 HD1 PRO 61 1.910 -3.699 -7.741 417 H THR 62 HN THR 62 3.616 -6.976 -6.248 418 HA THR 62 HA THR 62 4.145 -9.829 -6.468 419 HB THR 62 HB THR 62 6.008 -9.419 -4.955 420 HG1 THR 62 HG1 THR 62 5.261 -6.667 -4.861 421 HG21 THR 62 HG21 THR 62 5.724 -7.256 -7.049 422 HG22 THR 62 HG22 THR 62 6.354 -8.887 -7.308 423 HG23 THR 62 HG23 THR 62 7.244 -7.750 -6.295 424 H ALA 63 HN ALA 63 2.241 -7.690 -4.662 425 HA ALA 63 HA ALA 63 1.780 -9.578 -2.489 426 HB1 ALA 63 HB1 ALA 63 0.231 -7.872 -1.626 427 HB2 ALA 63 HB2 ALA 63 0.508 -6.887 -3.064 428 HB3 ALA 63 HB3 ALA 63 1.828 -7.189 -1.934 429 H SER 64 HN SER 64 0.427 -11.205 -2.825 430 HA SER 64 HA SER 64 -1.327 -11.418 -5.033 431 HB2 SER 64 HB2 SER 64 -0.405 -13.385 -3.852 432 HB3 SER 64 HB1 SER 64 -1.331 -12.962 -2.417 433 HG SER 64 HG SER 64 -2.462 -13.548 -4.959 434 H CYS 65 HN CYS 65 -3.314 -10.632 -5.317 435 HA CYS 65 HA CYS 65 -4.569 -9.274 -3.050 436 HB2 CYS 65 HB2 CYS 65 -4.378 -7.813 -4.908 437 HB3 CYS 65 HB1 CYS 65 -4.975 -9.044 -6.018 438 H GLN 66 HN GLN 66 -6.398 -9.789 -2.221 439 HA GLN 66 HA GLN 66 -8.180 -11.715 -3.567 440 HB2 GLN 66 HB2 GLN 66 -8.061 -11.478 -0.581 441 HB3 GLN 66 HB1 GLN 66 -8.648 -12.814 -1.552 442 HG2 GLN 66 HG2 GLN 66 -5.807 -12.179 -1.818 443 HG3 GLN 66 HG1 GLN 66 -6.306 -12.789 -0.255 444 HE21 GLN 66 HE21 GLN 66 -5.160 -14.700 -0.546 445 HE22 GLN 66 HE22 GLN 66 -5.696 -15.942 -1.621 446 H ASN 67 HN ASN 67 -10.300 -11.020 -3.652 447 HA ASN 67 HA ASN 67 -10.858 -8.469 -2.361 448 HB2 ASN 67 HB2 ASN 67 -13.110 -8.753 -3.642 449 HB3 ASN 67 HB1 ASN 67 -11.663 -8.250 -4.491 450 HD21 ASN 67 HD21 ASN 67 -10.675 -9.698 -5.914 451 HD22 ASN 67 HD22 ASN 67 -11.500 -11.091 -6.502 452 H ALA 68 HN ALA 68 -12.428 -8.142 -0.951 453 HA ALA 68 HA ALA 68 -14.058 -10.232 0.124 454 HB1 ALA 68 HB1 ALA 68 -12.047 -11.004 1.109 455 HB2 ALA 68 HB2 ALA 68 -12.936 -10.157 2.378 456 HB3 ALA 68 HB3 ALA 68 -11.570 -9.372 1.572 457 H GLU 69 HN GLU 69 -15.105 -9.437 2.195 458 HA GLU 69 HA GLU 69 -15.040 -6.556 2.446 459 HB2 GLU 69 HB2 GLU 69 -17.538 -6.513 2.677 460 HB3 GLU 69 HB1 GLU 69 -16.913 -6.771 1.050 461 HG2 GLU 69 HG2 GLU 69 -17.344 -9.090 1.178 462 HG3 GLU 69 HG1 GLU 69 -17.744 -8.950 2.883 463 H SER 70 HN SER 70 -14.531 -6.087 4.377 464 HA SER 70 HA SER 70 -15.601 -7.667 6.607 465 HB2 SER 70 HB2 SER 70 -13.197 -8.134 6.290 466 HB3 SER 70 HB1 SER 70 -12.843 -6.410 6.378 467 HG SER 70 HG SER 70 -14.128 -7.834 8.474 468 H THR 71 HN THR 71 -15.734 -6.374 8.638 469 HA THR 71 HA THR 71 -17.005 -3.919 8.309 470 HB THR 71 HB THR 71 -17.279 -5.213 10.342 471 HG1 THR 71 HG1 THR 71 -17.608 -2.991 10.591 472 HG21 THR 71 HG21 THR 71 -14.406 -4.538 10.976 473 HG22 THR 71 HG22 THR 71 -15.002 -6.126 10.484 474 HG23 THR 71 HG23 THR 71 -15.528 -5.419 12.015 475 H GLU 72 HN GLU 72 -13.630 -4.712 8.594 476 HA GLU 72 HA GLU 72 -12.826 -1.914 8.550 477 HB2 GLU 72 HB2 GLU 72 -11.103 -4.368 8.303 478 HB3 GLU 72 HB1 GLU 72 -10.566 -2.734 8.651 479 HG2 GLU 72 HG2 GLU 72 -11.755 -2.808 10.782 480 HG3 GLU 72 HG1 GLU 72 -12.262 -4.458 10.427 481 H ASN 73 HN ASN 73 -12.316 -0.851 6.725 482 HA ASN 73 HA ASN 73 -12.651 -2.010 4.153 483 HB2 ASN 73 HB2 ASN 73 -11.273 0.148 3.495 484 HB3 ASN 73 HB1 ASN 73 -12.945 0.278 4.029 485 HD21 ASN 73 HD21 ASN 73 -12.862 2.272 4.938 486 HD22 ASN 73 HD22 ASN 73 -11.867 2.696 6.288 487 H SER 74 HN SER 74 -9.901 -1.517 6.258 488 HA SER 74 HA SER 74 -7.868 -2.133 4.419 489 HB2 SER 74 HB2 SER 74 -6.556 -2.651 6.532 490 HB3 SER 74 HB1 SER 74 -7.283 -1.046 6.455 491 HG SER 74 HG SER 74 -7.580 -2.259 8.477 492 H LYS 75 HN LYS 75 -10.073 -4.101 6.239 493 HA LYS 75 HA LYS 75 -8.589 -6.534 5.627 494 HB2 LYS 75 HB2 LYS 75 -11.045 -5.975 7.277 495 HB3 LYS 75 HB1 LYS 75 -10.510 -7.608 6.908 496 HG2 LYS 75 HG2 LYS 75 -8.290 -6.146 7.882 497 HG3 LYS 75 HG1 LYS 75 -9.648 -5.904 8.983 498 HD2 LYS 75 HD2 LYS 75 -8.751 -8.601 7.985 499 HD3 LYS 75 HD1 LYS 75 -8.226 -7.892 9.513 500 HE2 LYS 75 HE2 LYS 75 -11.140 -8.143 8.869 501 HE3 LYS 75 HE1 LYS 75 -10.243 -9.524 9.500 502 HZ1 LYS 75 HZ1 LYS 75 -9.675 -8.277 11.450 503 HZ2 LYS 75 HZ2 LYS 75 -11.356 -8.201 11.242 504 HZ3 LYS 75 HZ3 LYS 75 -10.392 -6.867 10.834 505 H LYS 76 HN LYS 76 -10.288 -4.724 3.704 506 HA LYS 76 HA LYS 76 -12.105 -6.770 2.708 507 HB2 LYS 76 HB2 LYS 76 -11.616 -3.983 1.697 508 HB3 LYS 76 HB1 LYS 76 -12.827 -5.099 1.087 509 HG2 LYS 76 HG2 LYS 76 -13.758 -5.116 3.464 510 HG3 LYS 76 HG1 LYS 76 -12.735 -3.706 3.735 511 HD2 LYS 76 HD2 LYS 76 -13.954 -3.104 1.364 512 HD3 LYS 76 HD1 LYS 76 -15.215 -3.966 2.230 513 HE2 LYS 76 HE2 LYS 76 -13.731 -1.510 3.151 514 HE3 LYS 76 HE1 LYS 76 -15.408 -1.599 2.619 515 HZ1 LYS 76 HZ1 LYS 76 -15.138 -1.538 5.063 516 HZ2 LYS 76 HZ2 LYS 76 -14.383 -3.054 4.990 517 HZ3 LYS 76 HZ3 LYS 76 -15.997 -2.890 4.501 518 H ILE 77 HN ILE 77 -9.357 -4.854 1.527 519 HA ILE 77 HA ILE 77 -9.012 -6.845 -0.588 520 HB ILE 77 HB ILE 77 -7.608 -4.199 -0.213 521 HG12 ILE 77 HG12 ILE 77 -9.896 -3.864 -0.914 522 HG13 ILE 77 HG11 ILE 77 -8.835 -3.578 -2.296 523 HG21 ILE 77 HG21 ILE 77 -7.391 -6.201 -2.449 524 HG22 ILE 77 HG22 ILE 77 -6.132 -5.792 -1.283 525 HG23 ILE 77 HG23 ILE 77 -6.680 -4.588 -2.454 526 HD11 ILE 77 HD11 ILE 77 -9.357 -5.777 -3.169 527 HD12 ILE 77 HD12 ILE 77 -10.826 -4.831 -2.910 528 HD13 ILE 77 HD13 ILE 77 -10.379 -6.104 -1.768 529 H ILE 78 HN ILE 78 -7.763 -8.442 -0.209 530 HA ILE 78 HA ILE 78 -5.860 -8.331 1.996 531 HB ILE 78 HB ILE 78 -6.725 -10.702 0.340 532 HG12 ILE 78 HG12 ILE 78 -7.863 -11.331 2.566 533 HG13 ILE 78 HG11 ILE 78 -7.695 -9.629 2.983 534 HG21 ILE 78 HG21 ILE 78 -4.511 -10.961 1.299 535 HG22 ILE 78 HG22 ILE 78 -5.670 -12.048 2.065 536 HG23 ILE 78 HG23 ILE 78 -5.151 -10.581 2.898 537 HD11 ILE 78 HD11 ILE 78 -9.111 -10.652 0.537 538 HD12 ILE 78 HD12 ILE 78 -9.059 -8.986 1.118 539 HD13 ILE 78 HD13 ILE 78 -9.911 -10.220 2.050 540 H CYS 79 HN CYS 79 -3.991 -7.483 1.387 541 HA CYS 79 HA CYS 79 -2.765 -8.396 -1.108 542 HB2 CYS 79 HB2 CYS 79 -1.846 -6.140 0.669 543 HB3 CYS 79 HB1 CYS 79 -1.379 -6.448 -1.000 544 H THR 80 HN THR 80 -1.507 -10.078 -0.868 545 HA THR 80 HA THR 80 0.009 -10.388 1.637 546 HB THR 80 HB THR 80 -1.108 -12.442 -0.269 547 HG1 THR 80 HG1 THR 80 -2.579 -12.531 1.228 548 HG21 THR 80 HG21 THR 80 0.899 -12.865 1.949 549 HG22 THR 80 HG22 THR 80 1.117 -13.199 0.228 550 HG23 THR 80 HG23 THR 80 -0.021 -14.157 1.176 551 H CYS 81 HN CYS 81 2.083 -9.837 1.383 552 HA CYS 81 HA CYS 81 3.320 -9.911 -1.220 553 HB2 CYS 81 HB2 CYS 81 4.703 -9.359 1.411 554 HB3 CYS 81 HB1 CYS 81 5.192 -8.839 -0.195 555 H LYS 82 HN LYS 82 4.947 -11.300 -1.852 556 HA LYS 82 HA LYS 82 4.497 -13.941 -0.912 557 HB2 LYS 82 HB2 LYS 82 6.001 -12.704 -3.157 558 HB3 LYS 82 HB1 LYS 82 6.377 -14.363 -2.720 559 HG2 LYS 82 HG2 LYS 82 4.658 -13.986 -4.553 560 HG3 LYS 82 HG1 LYS 82 4.244 -15.122 -3.273 561 HD2 LYS 82 HD2 LYS 82 2.739 -13.622 -2.279 562 HD3 LYS 82 HD1 LYS 82 3.410 -12.241 -3.150 563 HE2 LYS 82 HE2 LYS 82 1.244 -12.896 -4.038 564 HE3 LYS 82 HE1 LYS 82 2.520 -13.101 -5.235 565 HZ1 LYS 82 HZ1 LYS 82 1.358 -15.283 -3.581 566 HZ2 LYS 82 HZ2 LYS 82 2.537 -15.465 -4.789 567 HZ3 LYS 82 HZ3 LYS 82 0.968 -14.970 -5.202 568 H GLU 83 HN GLU 83 6.636 -15.391 -1.144 569 HA GLU 83 HA GLU 83 7.832 -15.230 1.350 570 HB2 GLU 83 HB2 GLU 83 8.799 -16.752 -1.056 571 HB3 GLU 83 HB1 GLU 83 9.178 -17.102 0.625 572 HG2 GLU 83 HG2 GLU 83 6.876 -17.596 1.080 573 HG3 GLU 83 HG1 GLU 83 6.412 -17.136 -0.551 574 HA PRO 84 HA PRO 84 11.866 -13.527 -0.667 575 HB2 PRO 84 HB2 PRO 84 11.661 -11.957 -2.826 576 HB3 PRO 84 HB1 PRO 84 11.839 -13.711 -2.956 577 HG2 PRO 84 HG2 PRO 84 9.373 -12.041 -3.189 578 HG3 PRO 84 HG1 PRO 84 9.884 -13.425 -4.172 579 HD2 PRO 84 HD2 PRO 84 8.056 -13.596 -2.158 580 HD3 PRO 84 HD1 PRO 84 9.099 -14.950 -2.648 581 H THR 85 HN THR 85 8.934 -12.068 -0.149 582 HA THR 85 HA THR 85 10.170 -9.453 0.459 583 HB THR 85 HB THR 85 7.984 -8.451 0.159 584 HG1 THR 85 HG1 THR 85 7.088 -10.942 0.559 585 HG21 THR 85 HG21 THR 85 9.296 -8.755 -1.842 586 HG22 THR 85 HG22 THR 85 7.580 -8.944 -2.215 587 HG23 THR 85 HG23 THR 85 8.620 -10.367 -2.075 588 HA PRO 86 HA PRO 86 9.375 -11.583 4.449 589 HB2 PRO 86 HB2 PRO 86 11.517 -9.714 5.271 590 HB3 PRO 86 HB1 PRO 86 11.412 -11.461 5.507 591 HG2 PRO 86 HG2 PRO 86 13.118 -10.444 3.748 592 HG3 PRO 86 HG1 PRO 86 12.192 -11.908 3.348 593 HD2 PRO 86 HD2 PRO 86 11.665 -9.053 2.545 594 HD3 PRO 86 HD1 PRO 86 11.657 -10.518 1.536 595 H ASN 87 HN ASN 87 9.225 -8.419 3.325 596 HA ASN 87 HA ASN 87 7.663 -7.538 5.644 597 HB2 ASN 87 HB2 ASN 87 9.615 -5.810 4.148 598 HB3 ASN 87 HB1 ASN 87 8.772 -5.419 5.631 599 HD21 ASN 87 HD21 ASN 87 11.393 -6.956 4.164 600 HD22 ASN 87 HD22 ASN 87 12.269 -7.406 5.587 601 H ALA 88 HN ALA 88 6.815 -5.180 4.873 602 HA ALA 88 HA ALA 88 6.112 -5.206 2.042 603 HB1 ALA 88 HB1 ALA 88 4.304 -6.429 3.157 604 HB2 ALA 88 HB2 ALA 88 3.741 -4.890 2.506 605 HB3 ALA 88 HB3 ALA 88 4.043 -5.058 4.235 606 H TYR 89 HN TYR 89 5.687 -3.161 1.222 607 HA TYR 89 HA TYR 89 6.457 -0.887 2.804 608 HB2 TYR 89 HB2 TYR 89 4.958 -0.813 0.169 609 HB3 TYR 89 HB1 TYR 89 5.966 0.452 0.837 610 HD1 TYR 89 HD1 TYR 89 8.093 -2.056 1.478 611 HD2 TYR 89 HD2 TYR 89 6.217 -0.284 -1.896 612 HE1 TYR 89 HE1 TYR 89 9.946 -2.792 0.048 613 HE2 TYR 89 HE2 TYR 89 8.051 -1.019 -3.330 614 HH TYR 89 HH TYR 89 10.288 -1.663 -3.225 615 H TYR 90 HN TYR 90 5.144 -0.402 4.428 616 HA TYR 90 HA TYR 90 3.343 -0.090 5.725 617 HB2 TYR 90 HB2 TYR 90 2.626 1.163 3.359 618 HB3 TYR 90 HB1 TYR 90 1.236 0.149 3.730 619 HD1 TYR 90 HD1 TYR 90 2.766 3.242 4.345 620 HD2 TYR 90 HD2 TYR 90 0.449 0.243 6.261 621 HE1 TYR 90 HE1 TYR 90 2.102 4.863 6.056 622 HE2 TYR 90 HE2 TYR 90 -0.236 1.860 7.981 623 HH TYR 90 HH TYR 90 0.676 3.991 8.968 624 H GLU 91 HN GLU 91 0.719 -1.147 4.000 625 HA GLU 91 HA GLU 91 0.705 -3.515 5.714 626 HB2 GLU 91 HB2 GLU 91 -1.679 -2.757 4.110 627 HB3 GLU 91 HB1 GLU 91 -1.585 -3.376 5.750 628 HG2 GLU 91 HG2 GLU 91 -0.712 -1.146 6.458 629 HG3 GLU 91 HG1 GLU 91 -1.041 -0.577 4.821 630 H GLY 92 HN GLY 92 1.771 -3.092 2.705 631 HA2 GLY 92 HA2 GLY 92 2.128 -5.082 1.308 632 HA3 GLY 92 HA1 GLY 92 0.466 -5.544 1.674 633 H VAL 93 HN VAL 93 0.462 -2.309 1.419 634 HA VAL 93 HA VAL 93 -0.875 -2.046 -0.989 635 HB VAL 93 HB VAL 93 0.908 0.065 0.281 636 HG11 VAL 93 HG11 VAL 93 -1.591 0.309 -1.368 637 HG12 VAL 93 HG12 VAL 93 0.056 0.658 -1.899 638 HG13 VAL 93 HG13 VAL 93 -0.694 1.646 -0.644 639 HG21 VAL 93 HG21 VAL 93 -1.927 -0.647 1.023 640 HG22 VAL 93 HG22 VAL 93 -1.041 0.762 1.608 641 HG23 VAL 93 HG23 VAL 93 -0.491 -0.864 2.025 642 H PHE 94 HN PHE 94 2.502 -1.994 -0.182 643 HA PHE 94 HA PHE 94 3.142 -2.779 -2.863 644 HB2 PHE 94 HB2 PHE 94 5.271 -1.106 -2.452 645 HB3 PHE 94 HB1 PHE 94 3.927 -0.779 -3.521 646 HD1 PHE 94 HD1 PHE 94 2.485 -0.257 -0.375 647 HD2 PHE 94 HD2 PHE 94 5.431 1.403 -2.956 648 HE1 PHE 94 HE1 PHE 94 2.200 1.919 0.712 649 HE2 PHE 94 HE2 PHE 94 5.138 3.588 -1.873 650 HZ PHE 94 HZ PHE 94 3.515 3.854 -0.038 651 H CYS 95 HN CYS 95 5.315 -3.872 -2.926 652 HA CYS 95 HA CYS 95 6.414 -4.495 -0.276 653 HB2 CYS 95 HB2 CYS 95 5.886 -6.831 -2.084 654 HB3 CYS 95 HB1 CYS 95 6.075 -6.791 -0.333 655 H SER 96 HN SER 96 8.519 -5.701 -0.411 656 HA SER 96 HA SER 96 9.921 -5.103 -2.953 657 HB2 SER 96 HB2 SER 96 10.573 -3.709 -0.911 658 HB3 SER 96 HB1 SER 96 11.236 -5.190 -0.239 659 HG SER 96 HG SER 96 12.016 -3.865 -2.625 660 H SER 97 HN SER 97 10.687 -6.831 -3.961 661 HA SER 97 HA SER 97 10.891 -9.344 -2.487 662 HB2 SER 97 HB2 SER 97 11.173 -8.763 -5.453 663 HB3 SER 97 HB1 SER 97 11.188 -10.368 -4.726 664 HG SER 97 HG SER 97 9.044 -8.513 -4.827 665 H SER 98 HN SER 98 12.806 -6.776 -3.406 666 HA SER 98 HA SER 98 15.234 -8.231 -3.949 667 HB2 SER 98 HB2 SER 98 14.954 -5.268 -3.448 668 HB3 SER 98 HB1 SER 98 16.193 -6.101 -4.389 669 HG SER 98 HG SER 98 14.489 -6.733 -5.845 670 H SER 99 HN SER 99 14.257 -8.928 -1.430 671 HA SER 99 HA SER 99 15.571 -7.358 0.586 672 HB2 SER 99 HB2 SER 99 14.792 -9.109 2.146 673 HB3 SER 99 HB1 SER 99 13.485 -8.499 1.154 674 HG SER 99 HG SER 99 13.348 -10.382 0.121 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 13.465 -3.768 -3.101 2 H2 GLY 1 HT2 GLY 1 14.099 -2.769 -4.311 3 H3 GLY 1 HT3 GLY 1 13.698 -2.120 -2.796 4 HA2 GLY 1 HA2 GLY 1 16.070 -2.359 -2.937 5 HA3 GLY 1 HA1 GLY 1 15.874 -4.051 -3.377 6 H VAL 2 HN VAL 2 16.861 -4.999 -1.702 7 HA VAL 2 HA VAL 2 17.043 -6.058 0.275 8 HB VAL 2 HB VAL 2 17.829 -3.594 0.733 9 HG11 VAL 2 HG11 VAL 2 16.694 -2.594 2.676 10 HG12 VAL 2 HG12 VAL 2 15.422 -3.814 2.536 11 HG13 VAL 2 HG13 VAL 2 15.672 -2.645 1.239 12 HG21 VAL 2 HG21 VAL 2 17.312 -5.287 3.151 13 HG22 VAL 2 HG22 VAL 2 18.718 -4.291 2.771 14 HG23 VAL 2 HG23 VAL 2 18.438 -5.797 1.893 15 H ASP 3 HN ASP 3 15.975 -6.349 2.567 16 HA ASP 3 HA ASP 3 13.384 -7.254 2.418 17 HB2 ASP 3 HB2 ASP 3 13.497 -6.713 5.004 18 HB3 ASP 3 HB1 ASP 3 14.451 -8.009 4.301 19 HA PRO 4 HA PRO 4 11.065 -3.613 1.621 20 HB2 PRO 4 HB2 PRO 4 8.709 -4.752 2.665 21 HB3 PRO 4 HB1 PRO 4 9.204 -4.631 0.984 22 HG2 PRO 4 HG2 PRO 4 9.390 -6.892 2.855 23 HG3 PRO 4 HG1 PRO 4 9.292 -6.907 1.091 24 HD2 PRO 4 HD2 PRO 4 11.538 -7.501 2.439 25 HD3 PRO 4 HD1 PRO 4 11.555 -6.719 0.854 26 H LYS 5 HN LYS 5 11.695 -4.603 4.840 27 HA LYS 5 HA LYS 5 9.826 -2.797 6.093 28 HB2 LYS 5 HB2 LYS 5 11.305 -3.254 8.155 29 HB3 LYS 5 HB1 LYS 5 10.296 -4.530 7.514 30 HG2 LYS 5 HG2 LYS 5 12.339 -5.568 7.961 31 HG3 LYS 5 HG1 LYS 5 12.381 -5.272 6.223 32 HD2 LYS 5 HD2 LYS 5 14.502 -4.640 7.053 33 HD3 LYS 5 HD1 LYS 5 13.632 -3.136 6.742 34 HE2 LYS 5 HE2 LYS 5 13.086 -2.953 9.106 35 HE3 LYS 5 HE1 LYS 5 13.897 -4.484 9.428 36 HZ1 LYS 5 HZ1 LYS 5 15.962 -3.437 8.564 37 HZ2 LYS 5 HZ2 LYS 5 15.377 -2.740 9.995 38 HZ3 LYS 5 HZ3 LYS 5 15.142 -1.950 8.515 39 H HIS 6 HN HIS 6 12.085 -1.761 4.220 40 HA HIS 6 HA HIS 6 13.726 -0.260 6.037 41 HB2 HIS 6 HB2 HIS 6 14.631 0.765 3.866 42 HB3 HIS 6 HB1 HIS 6 14.953 -0.935 4.190 43 HD1 HIS 6 HD1 HIS 6 13.280 -2.634 2.870 44 HD2 HIS 6 HD2 HIS 6 13.516 1.272 1.492 45 HE1 HIS 6 HE1 HIS 6 12.240 -2.642 0.586 46 HE2 HIS 6 HE2 HIS 6 12.648 -0.362 -0.324 47 H VAL 7 HN VAL 7 10.776 0.264 5.759 48 HA VAL 7 HA VAL 7 9.354 1.985 6.038 49 HB VAL 7 HB VAL 7 10.059 3.618 7.662 50 HG11 VAL 7 HG11 VAL 7 11.140 0.823 8.044 51 HG12 VAL 7 HG12 VAL 7 9.565 1.462 8.523 52 HG13 VAL 7 HG13 VAL 7 11.025 2.006 9.351 53 HG21 VAL 7 HG21 VAL 7 12.888 2.669 7.171 54 HG22 VAL 7 HG22 VAL 7 12.378 3.793 8.432 55 HG23 VAL 7 HG23 VAL 7 12.238 4.249 6.733 56 H CYS 8 HN CYS 8 10.036 4.853 6.305 57 HA CYS 8 HA CYS 8 10.685 5.668 3.581 58 HB2 CYS 8 HB2 CYS 8 8.407 4.854 3.325 59 HB3 CYS 8 HB1 CYS 8 7.883 5.826 4.687 60 H VAL 9 HN VAL 9 10.969 7.760 3.294 61 HA VAL 9 HA VAL 9 9.557 9.666 4.948 62 HB VAL 9 HB VAL 9 11.707 11.128 4.793 63 HG11 VAL 9 HG11 VAL 9 10.747 10.321 6.902 64 HG12 VAL 9 HG12 VAL 9 12.511 10.305 6.942 65 HG13 VAL 9 HG13 VAL 9 11.619 8.800 6.703 66 HG21 VAL 9 HG21 VAL 9 13.790 9.791 4.898 67 HG22 VAL 9 HG22 VAL 9 12.948 9.637 3.349 68 HG23 VAL 9 HG23 VAL 9 12.830 8.344 4.547 69 H ASP 10 HN ASP 10 8.295 10.242 3.273 70 HA ASP 10 HA ASP 10 9.596 11.127 0.802 71 HB2 ASP 10 HB2 ASP 10 8.651 9.033 0.261 72 HB3 ASP 10 HB1 ASP 10 7.202 9.357 1.184 73 H THR 11 HN THR 11 8.344 12.699 -0.400 74 HA THR 11 HA THR 11 7.055 14.540 -0.704 75 HB THR 11 HB THR 11 5.380 12.193 -0.045 76 HG1 THR 11 HG1 THR 11 6.333 12.035 -1.989 77 HG21 THR 11 HG21 THR 11 4.306 14.873 -0.905 78 HG22 THR 11 HG22 THR 11 3.934 13.999 0.587 79 HG23 THR 11 HG23 THR 11 3.403 13.355 -0.969 80 H ARG 12 HN ARG 12 6.082 16.242 -0.065 81 HA ARG 12 HA ARG 12 6.486 17.040 2.595 82 HB2 ARG 12 HB2 ARG 12 5.095 18.404 0.340 83 HB3 ARG 12 HB1 ARG 12 5.524 19.180 1.844 84 HG2 ARG 12 HG2 ARG 12 7.227 19.818 0.471 85 HG3 ARG 12 HG1 ARG 12 7.917 18.390 1.236 86 HD2 ARG 12 HD2 ARG 12 7.479 17.065 -0.674 87 HD3 ARG 12 HD1 ARG 12 6.547 18.355 -1.437 88 HE ARG 12 HE ARG 12 8.893 19.542 -1.203 89 HH11 ARG 12 HH11 ARG 12 8.178 16.260 -2.164 90 HH12 ARG 12 HH12 ARG 12 9.541 16.119 -3.222 91 HH21 ARG 12 HH21 ARG 12 10.710 19.381 -2.584 92 HH22 ARG 12 HH22 ARG 12 10.996 17.903 -3.461 93 H ASP 13 HN ASP 13 3.651 16.544 0.618 94 HA ASP 13 HA ASP 13 2.037 16.288 3.064 95 HB2 ASP 13 HB2 ASP 13 1.525 18.431 1.997 96 HB3 ASP 13 HB1 ASP 13 1.200 17.614 0.475 97 H ILE 14 HN ILE 14 2.231 14.068 3.006 98 HA ILE 14 HA ILE 14 1.226 12.593 0.716 99 HB ILE 14 HB ILE 14 2.129 11.685 3.460 100 HG12 ILE 14 HG12 ILE 14 3.427 10.829 0.945 101 HG13 ILE 14 HG11 ILE 14 3.661 12.511 1.421 102 HG21 ILE 14 HG21 ILE 14 2.071 9.384 2.438 103 HG22 ILE 14 HG22 ILE 14 1.110 10.081 1.126 104 HG23 ILE 14 HG23 ILE 14 0.489 10.103 2.778 105 HD11 ILE 14 HD11 ILE 14 4.228 10.154 3.182 106 HD12 ILE 14 HD12 ILE 14 4.622 11.850 3.485 107 HD13 ILE 14 HD13 ILE 14 5.427 10.977 2.181 108 HA PRO 15 HA PRO 15 -3.004 12.936 1.691 109 HB2 PRO 15 HB2 PRO 15 -3.022 10.097 0.783 110 HB3 PRO 15 HB1 PRO 15 -4.046 11.445 0.293 111 HG2 PRO 15 HG2 PRO 15 -2.152 10.695 -1.326 112 HG3 PRO 15 HG1 PRO 15 -2.336 12.429 -0.993 113 HD2 PRO 15 HD2 PRO 15 -0.406 10.471 0.186 114 HD3 PRO 15 HD1 PRO 15 -0.090 12.091 -0.442 115 H LYS 16 HN LYS 16 -4.530 12.317 3.190 116 HA LYS 16 HA LYS 16 -3.489 11.507 5.646 117 HB2 LYS 16 HB2 LYS 16 -5.346 13.065 5.271 118 HB3 LYS 16 HB1 LYS 16 -6.359 11.719 4.782 119 HG2 LYS 16 HG2 LYS 16 -5.889 10.737 7.063 120 HG3 LYS 16 HG1 LYS 16 -5.227 12.318 7.491 121 HD2 LYS 16 HD2 LYS 16 -7.351 13.356 6.856 122 HD3 LYS 16 HD1 LYS 16 -8.001 11.760 6.483 123 HE2 LYS 16 HE2 LYS 16 -7.045 12.698 9.188 124 HE3 LYS 16 HE1 LYS 16 -8.724 12.502 8.695 125 HZ1 LYS 16 HZ1 LYS 16 -7.827 10.630 10.022 126 HZ2 LYS 16 HZ2 LYS 16 -6.756 10.277 8.758 127 HZ3 LYS 16 HZ3 LYS 16 -8.430 10.163 8.508 128 H ASN 17 HN ASN 17 -5.416 9.770 3.298 129 HA ASN 17 HA ASN 17 -5.478 7.433 5.065 130 HB2 ASN 17 HB2 ASN 17 -6.937 7.969 2.455 131 HB3 ASN 17 HB1 ASN 17 -7.081 6.498 3.403 132 HD21 ASN 17 HD21 ASN 17 -6.839 9.636 4.871 133 HD22 ASN 17 HD22 ASN 17 -8.457 9.697 5.460 134 H ALA 18 HN ALA 18 -3.147 8.478 3.859 135 HA ALA 18 HA ALA 18 -2.445 6.308 2.010 136 HB1 ALA 18 HB1 ALA 18 -1.506 9.170 1.807 137 HB2 ALA 18 HB2 ALA 18 -2.712 8.417 0.764 138 HB3 ALA 18 HB3 ALA 18 -1.047 7.836 0.746 139 H GLY 19 HN GLY 19 -0.310 5.713 2.045 140 HA2 GLY 19 HA2 GLY 19 1.306 6.768 4.268 141 HA3 GLY 19 HA1 GLY 19 1.167 5.030 3.993 142 H CYS 20 HN CYS 20 3.559 6.684 3.920 143 HA CYS 20 HA CYS 20 4.182 6.523 1.053 144 HB2 CYS 20 HB2 CYS 20 5.723 8.231 1.306 145 HB3 CYS 20 HB1 CYS 20 4.498 8.713 2.464 146 H PHE 21 HN PHE 21 5.988 5.475 0.409 147 HA PHE 21 HA PHE 21 7.555 4.247 2.520 148 HB2 PHE 21 HB2 PHE 21 5.926 2.550 1.888 149 HB3 PHE 21 HB1 PHE 21 6.505 2.629 0.220 150 HD1 PHE 21 HD1 PHE 21 8.697 1.804 -0.362 151 HD2 PHE 21 HD2 PHE 21 7.251 1.551 3.625 152 HE1 PHE 21 HE1 PHE 21 10.503 0.268 0.194 153 HE2 PHE 21 HE2 PHE 21 9.075 0.004 4.190 154 HZ PHE 21 HZ PHE 21 10.717 -0.630 2.465 155 H ARG 22 HN ARG 22 9.631 3.852 2.085 156 HA ARG 22 HA ARG 22 10.641 5.098 -0.380 157 HB2 ARG 22 HB2 ARG 22 10.844 6.517 1.682 158 HB3 ARG 22 HB1 ARG 22 11.879 5.274 2.365 159 HG2 ARG 22 HG2 ARG 22 13.313 5.555 0.306 160 HG3 ARG 22 HG1 ARG 22 12.377 7.017 0.017 161 HD2 ARG 22 HD2 ARG 22 12.995 7.676 2.396 162 HD3 ARG 22 HD1 ARG 22 14.221 6.402 2.282 163 HE ARG 22 HE ARG 22 14.236 8.076 0.012 164 HH11 ARG 22 HH11 ARG 22 15.327 7.904 3.341 165 HH12 ARG 22 HH12 ARG 22 16.605 9.061 3.114 166 HH21 ARG 22 HH21 ARG 22 15.932 9.584 -0.279 167 HH22 ARG 22 HH22 ARG 22 16.948 10.005 1.061 168 H ASP 23 HN ASP 23 12.083 3.871 -1.480 169 HA ASP 23 HA ASP 23 12.702 1.299 -0.228 170 HB2 ASP 23 HB2 ASP 23 11.498 1.250 -2.370 171 HB3 ASP 23 HB1 ASP 23 12.878 2.019 -3.149 172 H ASP 24 HN ASP 24 14.784 0.315 -1.368 173 HA ASP 24 HA ASP 24 16.914 1.308 0.079 174 HB2 ASP 24 HB2 ASP 24 16.823 -0.961 -0.610 175 HB3 ASP 24 HB1 ASP 24 16.709 -0.495 -2.304 176 H ASP 25 HN ASP 25 16.122 1.757 -3.319 177 HA ASP 25 HA ASP 25 18.492 3.055 -4.109 178 HB2 ASP 25 HB2 ASP 25 17.056 2.091 -5.762 179 HB3 ASP 25 HB1 ASP 25 15.687 3.063 -5.234 180 H GLY 26 HN GLY 26 16.027 4.158 -2.096 181 HA2 GLY 26 HA2 GLY 26 15.987 6.306 -1.086 182 HA3 GLY 26 HA1 GLY 26 16.844 6.951 -2.484 183 H THR 27 HN THR 27 14.663 4.926 -3.688 184 HA THR 27 HA THR 27 12.985 6.780 -4.892 185 HB THR 27 HB THR 27 12.319 3.928 -4.203 186 HG1 THR 27 HG1 THR 27 14.173 5.029 -5.972 187 HG21 THR 27 HG21 THR 27 11.451 5.684 -6.506 188 HG22 THR 27 HG22 THR 27 10.447 5.190 -5.143 189 HG23 THR 27 HG23 THR 27 11.024 3.986 -6.299 190 H GLU 28 HN GLU 28 11.272 7.886 -4.177 191 HA GLU 28 HA GLU 28 10.039 7.042 -1.643 192 HB2 GLU 28 HB2 GLU 28 10.695 9.807 -2.654 193 HB3 GLU 28 HB1 GLU 28 9.634 9.513 -1.282 194 HG2 GLU 28 HG2 GLU 28 11.335 8.796 0.066 195 HG3 GLU 28 HG1 GLU 28 12.343 8.288 -1.283 196 H GLU 29 HN GLU 29 8.027 6.470 -1.829 197 HA GLU 29 HA GLU 29 6.252 7.802 -3.725 198 HB2 GLU 29 HB2 GLU 29 7.013 5.961 -5.037 199 HB3 GLU 29 HB1 GLU 29 6.866 4.855 -3.680 200 HG2 GLU 29 HG2 GLU 29 4.448 5.042 -3.758 201 HG3 GLU 29 HG1 GLU 29 4.559 6.200 -5.081 202 H TRP 30 HN TRP 30 4.307 8.140 -2.836 203 HA TRP 30 HA TRP 30 3.556 6.462 -0.560 204 HB2 TRP 30 HB2 TRP 30 1.867 8.156 -0.030 205 HB3 TRP 30 HB1 TRP 30 3.479 8.854 -0.079 206 HD1 TRP 30 HD TRP 30 3.863 10.831 -1.669 207 HE1 TRP 30 HE1 TRP 30 2.368 12.144 -3.314 208 HE3 TRP 30 HE3 TRP 30 -0.133 7.679 -1.763 209 HZ2 TRP 30 HZ2 TRP 30 -0.195 11.854 -4.493 210 HZ3 TRP 30 HZ3 TRP 30 -2.083 8.274 -3.181 211 HH2 TRP 30 HH TRP 30 -2.091 10.313 -4.522 212 H ARG 31 HN ARG 31 1.407 5.710 -0.444 213 HA ARG 31 HA ARG 31 -0.064 5.468 -2.953 214 HB2 ARG 31 HB2 ARG 31 0.816 3.104 -1.296 215 HB3 ARG 31 HB1 ARG 31 -0.363 3.026 -2.594 216 HG2 ARG 31 HG2 ARG 31 1.500 3.932 -4.095 217 HG3 ARG 31 HG1 ARG 31 2.580 3.513 -2.761 218 HD2 ARG 31 HD2 ARG 31 1.551 1.204 -2.827 219 HD3 ARG 31 HD1 ARG 31 0.807 1.683 -4.354 220 HE ARG 31 HE ARG 31 3.627 2.144 -4.356 221 HH11 ARG 31 HH11 ARG 31 1.231 -0.398 -4.643 222 HH12 ARG 31 HH12 ARG 31 2.241 -1.409 -5.622 223 HH21 ARG 31 HH21 ARG 31 4.966 0.794 -5.602 224 HH22 ARG 31 HH22 ARG 31 4.368 -0.745 -6.147 225 H CYS 32 HN CYS 32 -2.070 3.931 -2.280 226 HA CYS 32 HA CYS 32 -3.226 5.352 0.028 227 HB2 CYS 32 HB2 CYS 32 -4.613 4.085 -2.362 228 HB3 CYS 32 HB1 CYS 32 -5.415 4.954 -1.058 229 H LEU 33 HN LEU 33 -3.999 4.212 1.644 230 HA LEU 33 HA LEU 33 -2.861 1.702 2.043 231 HB2 LEU 33 HB2 LEU 33 -5.092 2.931 3.620 232 HB3 LEU 33 HB1 LEU 33 -3.987 1.710 4.186 233 HG LEU 33 HG LEU 33 -3.666 4.643 3.966 234 HD11 LEU 33 HD11 LEU 33 -2.602 2.550 5.849 235 HD12 LEU 33 HD12 LEU 33 -4.034 3.558 6.095 236 HD13 LEU 33 HD13 LEU 33 -2.433 4.298 6.041 237 HD21 LEU 33 HD21 LEU 33 -1.349 4.685 3.727 238 HD22 LEU 33 HD22 LEU 33 -1.920 3.643 2.420 239 HD23 LEU 33 HD23 LEU 33 -1.203 2.924 3.867 240 H LEU 34 HN LEU 34 -4.195 -0.187 2.919 241 HA LEU 34 HA LEU 34 -5.441 -1.187 0.625 242 HB2 LEU 34 HB2 LEU 34 -5.250 -2.370 3.381 243 HB3 LEU 34 HB1 LEU 34 -5.634 -3.245 1.910 244 HG LEU 34 HG LEU 34 -3.026 -1.864 2.529 245 HD11 LEU 34 HD11 LEU 34 -3.298 -3.944 3.735 246 HD12 LEU 34 HD12 LEU 34 -2.096 -4.114 2.456 247 HD13 LEU 34 HD13 LEU 34 -3.716 -4.780 2.238 248 HD21 LEU 34 HD21 LEU 34 -2.248 -2.755 0.411 249 HD22 LEU 34 HD22 LEU 34 -3.620 -1.670 0.172 250 HD23 LEU 34 HD23 LEU 34 -3.851 -3.416 0.086 251 H GLY 35 HN GLY 35 -7.448 -1.347 0.052 252 HA2 GLY 35 HA2 GLY 35 -9.773 -1.512 0.277 253 HA3 GLY 35 HA1 GLY 35 -9.619 -1.110 1.981 254 H TYR 36 HN TYR 36 -7.731 1.010 0.351 255 HA TYR 36 HA TYR 36 -9.835 3.053 0.419 256 HB2 TYR 36 HB2 TYR 36 -6.826 3.347 0.466 257 HB3 TYR 36 HB1 TYR 36 -7.980 4.676 0.521 258 HD1 TYR 36 HD1 TYR 36 -6.347 5.004 2.569 259 HD2 TYR 36 HD2 TYR 36 -9.379 2.046 2.368 260 HE1 TYR 36 HE1 TYR 36 -6.390 4.878 5.026 261 HE2 TYR 36 HE2 TYR 36 -9.426 1.909 4.817 262 HH TYR 36 HH TYR 36 -7.955 2.394 6.717 263 H LYS 37 HN LYS 37 -8.886 4.984 -1.156 264 HA LYS 37 HA LYS 37 -8.208 3.876 -3.750 265 HB2 LYS 37 HB2 LYS 37 -10.175 4.871 -4.811 266 HB3 LYS 37 HB1 LYS 37 -10.643 3.647 -3.655 267 HG2 LYS 37 HG2 LYS 37 -11.119 5.427 -2.025 268 HG3 LYS 37 HG1 LYS 37 -10.711 6.625 -3.254 269 HD2 LYS 37 HD2 LYS 37 -12.502 5.572 -4.687 270 HD3 LYS 37 HD1 LYS 37 -12.983 4.662 -3.257 271 HE2 LYS 37 HE2 LYS 37 -13.413 6.691 -2.043 272 HE3 LYS 37 HE1 LYS 37 -12.808 7.667 -3.380 273 HZ1 LYS 37 HZ1 LYS 37 -14.631 6.775 -4.749 274 HZ2 LYS 37 HZ2 LYS 37 -15.180 7.666 -3.419 275 HZ3 LYS 37 HZ3 LYS 37 -15.246 5.970 -3.386 276 H LYS 38 HN LYS 38 -8.152 5.717 -5.369 277 HA LYS 38 HA LYS 38 -6.807 7.989 -4.148 278 HB2 LYS 38 HB2 LYS 38 -5.946 6.682 -6.201 279 HB3 LYS 38 HB1 LYS 38 -7.203 7.526 -7.099 280 HG2 LYS 38 HG2 LYS 38 -5.211 8.755 -7.400 281 HG3 LYS 38 HG1 LYS 38 -6.199 9.677 -6.266 282 HD2 LYS 38 HD2 LYS 38 -4.126 9.743 -5.243 283 HD3 LYS 38 HD1 LYS 38 -4.881 8.344 -4.457 284 HE2 LYS 38 HE2 LYS 38 -2.532 7.951 -5.159 285 HE3 LYS 38 HE1 LYS 38 -3.683 6.829 -5.886 286 HZ1 LYS 38 HZ1 LYS 38 -2.457 9.204 -7.198 287 HZ2 LYS 38 HZ2 LYS 38 -3.629 8.199 -7.908 288 HZ3 LYS 38 HZ3 LYS 38 -2.103 7.576 -7.523 289 H GLY 39 HN GLY 39 -7.686 9.929 -3.949 290 HA2 GLY 39 HA2 GLY 39 -10.473 10.194 -4.769 291 HA3 GLY 39 HA1 GLY 39 -9.644 11.173 -3.569 292 H GLU 40 HN GLU 40 -8.675 13.046 -4.167 293 HA GLU 40 HA GLU 40 -9.502 14.057 -6.760 294 HB2 GLU 40 HB2 GLU 40 -8.842 16.254 -5.869 295 HB3 GLU 40 HB1 GLU 40 -9.954 15.413 -4.799 296 HG2 GLU 40 HG2 GLU 40 -7.966 14.686 -3.457 297 HG3 GLU 40 HG1 GLU 40 -6.992 15.768 -4.455 298 H GLY 41 HN GLY 41 -7.696 12.271 -7.365 299 HA2 GLY 41 HA2 GLY 41 -5.957 12.285 -8.937 300 HA3 GLY 41 HA1 GLY 41 -5.542 13.913 -8.423 301 H ASN 42 HN ASN 42 -4.767 13.974 -6.047 302 HA ASN 42 HA ASN 42 -2.846 11.766 -5.682 303 HB2 ASN 42 HB2 ASN 42 -1.241 13.479 -4.821 304 HB3 ASN 42 HB1 ASN 42 -1.618 13.659 -6.533 305 HD21 ASN 42 HD21 ASN 42 -1.829 15.042 -3.388 306 HD22 ASN 42 HD22 ASN 42 -2.479 16.576 -3.867 307 H THR 43 HN THR 43 -5.249 11.668 -4.421 308 HA THR 43 HA THR 43 -4.378 11.980 -1.662 309 HB THR 43 HB THR 43 -6.711 12.514 -0.950 310 HG1 THR 43 HG1 THR 43 -8.156 13.270 -2.431 311 HG21 THR 43 HG21 THR 43 -6.525 14.927 -1.485 312 HG22 THR 43 HG22 THR 43 -5.232 14.536 -2.624 313 HG23 THR 43 HG23 THR 43 -5.020 14.216 -0.902 314 H CYS 44 HN CYS 44 -5.430 10.591 -0.210 315 HA CYS 44 HA CYS 44 -6.587 8.245 -1.513 316 HB2 CYS 44 HB2 CYS 44 -4.753 8.327 0.885 317 HB3 CYS 44 HB1 CYS 44 -5.458 6.877 0.173 318 H VAL 45 HN VAL 45 -8.374 7.491 -0.696 319 HA VAL 45 HA VAL 45 -9.386 8.503 1.852 320 HB VAL 45 HB VAL 45 -11.638 8.838 0.778 321 HG11 VAL 45 HG11 VAL 45 -10.117 10.734 1.312 322 HG12 VAL 45 HG12 VAL 45 -11.151 11.059 -0.082 323 HG13 VAL 45 HG13 VAL 45 -9.457 10.632 -0.326 324 HG21 VAL 45 HG21 VAL 45 -11.748 9.141 -1.645 325 HG22 VAL 45 HG22 VAL 45 -11.185 7.512 -1.262 326 HG23 VAL 45 HG23 VAL 45 -10.037 8.742 -1.792 327 H GLU 46 HN GLU 46 -10.924 7.163 2.813 328 HA GLU 46 HA GLU 46 -10.626 4.428 2.333 329 HB2 GLU 46 HB2 GLU 46 -12.684 5.984 3.881 330 HB3 GLU 46 HB1 GLU 46 -12.699 4.228 3.807 331 HG2 GLU 46 HG2 GLU 46 -10.534 4.117 4.856 332 HG3 GLU 46 HG1 GLU 46 -10.397 5.877 4.835 333 H ASN 47 HN ASN 47 -11.171 3.615 0.433 334 HA ASN 47 HA ASN 47 -13.357 4.407 -1.154 335 HB2 ASN 47 HB2 ASN 47 -11.458 3.272 -2.128 336 HB3 ASN 47 HB1 ASN 47 -11.714 1.863 -1.112 337 HD21 ASN 47 HD21 ASN 47 -11.628 0.767 -3.150 338 HD22 ASN 47 HD22 ASN 47 -13.076 0.586 -4.075 339 H ASN 48 HN ASN 48 -12.864 1.804 1.138 340 HA ASN 48 HA ASN 48 -14.247 0.798 2.608 341 HB2 ASN 48 HB2 ASN 48 -15.286 3.248 2.489 342 HB3 ASN 48 HB1 ASN 48 -16.653 2.348 1.836 343 HD21 ASN 48 HD21 ASN 48 -14.508 2.701 4.560 344 HD22 ASN 48 HD22 ASN 48 -15.558 1.990 5.730 345 H ASN 49 HN ASN 49 -15.088 1.023 -0.685 346 HA ASN 49 HA ASN 49 -16.172 -1.707 -0.477 347 HB2 ASN 49 HB2 ASN 49 -17.912 -0.013 -1.136 348 HB3 ASN 49 HB1 ASN 49 -16.927 0.334 -2.553 349 HD21 ASN 49 HD21 ASN 49 -18.498 -0.315 -3.997 350 HD22 ASN 49 HD22 ASN 49 -18.940 -1.971 -4.215 351 HA PRO 50 HA PRO 50 -12.256 -1.054 -3.076 352 HB2 PRO 50 HB2 PRO 50 -10.775 -2.913 -1.737 353 HB3 PRO 50 HB1 PRO 50 -10.753 -1.192 -1.396 354 HG2 PRO 50 HG2 PRO 50 -12.188 -3.380 0.008 355 HG3 PRO 50 HG1 PRO 50 -11.435 -1.923 0.670 356 HD2 PRO 50 HD2 PRO 50 -14.094 -2.183 0.345 357 HD3 PRO 50 HD1 PRO 50 -13.269 -0.627 0.223 358 H THR 51 HN THR 51 -11.827 -2.196 -4.801 359 HA THR 51 HA THR 51 -12.784 -4.969 -4.962 360 HB THR 51 HB THR 51 -14.154 -3.418 -6.319 361 HG1 THR 51 HG1 THR 51 -14.310 -5.067 -7.610 362 HG21 THR 51 HG21 THR 51 -13.194 -2.334 -8.299 363 HG22 THR 51 HG22 THR 51 -11.586 -2.884 -7.823 364 HG23 THR 51 HG23 THR 51 -12.457 -1.723 -6.818 365 H CYS 52 HN CYS 52 -11.415 -6.417 -6.172 366 HA CYS 52 HA CYS 52 -8.655 -5.517 -6.342 367 HB2 CYS 52 HB2 CYS 52 -9.442 -7.870 -5.575 368 HB3 CYS 52 HB1 CYS 52 -9.720 -8.182 -7.283 369 H ASP 53 HN ASP 53 -7.679 -5.014 -8.206 370 HA ASP 53 HA ASP 53 -8.090 -5.089 -10.804 371 HB2 ASP 53 HB2 ASP 53 -10.570 -4.840 -10.485 372 HB3 ASP 53 HB1 ASP 53 -10.287 -3.279 -9.730 373 H ILE 54 HN ILE 54 -8.787 -2.607 -8.394 374 HA ILE 54 HA ILE 54 -7.269 -0.578 -9.696 375 HB ILE 54 HB ILE 54 -8.214 -0.636 -6.834 376 HG12 ILE 54 HG12 ILE 54 -9.653 0.485 -9.250 377 HG13 ILE 54 HG11 ILE 54 -10.048 -1.045 -8.477 378 HG21 ILE 54 HG21 ILE 54 -6.477 1.034 -7.429 379 HG22 ILE 54 HG22 ILE 54 -8.013 1.763 -6.924 380 HG23 ILE 54 HG23 ILE 54 -7.590 1.703 -8.636 381 HD11 ILE 54 HD11 ILE 54 -10.189 1.667 -7.178 382 HD12 ILE 54 HD12 ILE 54 -10.610 0.131 -6.420 383 HD13 ILE 54 HD13 ILE 54 -11.558 0.732 -7.779 384 H ASN 55 HN ASN 55 -5.194 -1.390 -9.916 385 HA ASN 55 HA ASN 55 -3.056 -1.895 -9.299 386 HB2 ASN 55 HB2 ASN 55 -3.610 0.426 -8.182 387 HB3 ASN 55 HB1 ASN 55 -3.527 -0.475 -6.696 388 HD21 ASN 55 HD21 ASN 55 -1.589 -1.124 -5.961 389 HD22 ASN 55 HD22 ASN 55 -0.076 -0.671 -6.665 390 H ASN 56 HN ASN 56 -4.888 -3.859 -8.833 391 HA ASN 56 HA ASN 56 -5.026 -5.921 -7.859 392 HB2 ASN 56 HB2 ASN 56 -2.860 -5.333 -5.873 393 HB3 ASN 56 HB1 ASN 56 -3.205 -6.834 -6.713 394 HD21 ASN 56 HD21 ASN 56 -0.928 -4.854 -6.295 395 HD22 ASN 56 HD22 ASN 56 -0.213 -4.790 -7.854 396 H GLY 57 HN GLY 57 -6.324 -3.448 -6.769 397 HA2 GLY 57 HA2 GLY 57 -8.017 -3.326 -5.162 398 HA3 GLY 57 HA1 GLY 57 -7.267 -4.670 -4.310 399 H GLY 58 HN GLY 58 -4.937 -2.431 -5.150 400 HA2 GLY 58 HA2 GLY 58 -4.330 -0.444 -3.886 401 HA3 GLY 58 HA1 GLY 58 -5.133 -1.164 -2.495 402 H CYS 59 HN CYS 59 -3.431 -3.374 -4.346 403 HA CYS 59 HA CYS 59 -1.351 -3.615 -2.291 404 HB2 CYS 59 HB2 CYS 59 -2.057 -5.703 -4.334 405 HB3 CYS 59 HB1 CYS 59 -1.291 -5.921 -2.762 406 H ASP 60 HN ASP 60 0.558 -4.888 -3.284 407 HA ASP 60 HA ASP 60 1.502 -3.437 -5.665 408 HB2 ASP 60 HB2 ASP 60 2.807 -3.601 -3.471 409 HB3 ASP 60 HB1 ASP 60 3.003 -5.308 -3.821 410 HA PRO 61 HA PRO 61 0.580 -6.901 -8.158 411 HB2 PRO 61 HB2 PRO 61 3.229 -6.598 -9.466 412 HB3 PRO 61 HB1 PRO 61 1.616 -6.532 -10.171 413 HG2 PRO 61 HG2 PRO 61 3.146 -4.341 -9.809 414 HG3 PRO 61 HG1 PRO 61 1.375 -4.304 -9.738 415 HD2 PRO 61 HD2 PRO 61 3.357 -4.145 -7.541 416 HD3 PRO 61 HD1 PRO 61 1.727 -3.476 -7.657 417 H THR 62 HN THR 62 3.489 -6.726 -6.331 418 HA THR 62 HA THR 62 4.101 -9.550 -6.616 419 HB THR 62 HB THR 62 6.020 -9.087 -5.207 420 HG1 THR 62 HG1 THR 62 5.216 -6.371 -4.963 421 HG21 THR 62 HG21 THR 62 7.081 -7.275 -6.523 422 HG22 THR 62 HG22 THR 62 5.493 -6.871 -7.193 423 HG23 THR 62 HG23 THR 62 6.228 -8.441 -7.537 424 H ALA 63 HN ALA 63 2.217 -7.485 -4.716 425 HA ALA 63 HA ALA 63 1.865 -9.404 -2.553 426 HB1 ALA 63 HB1 ALA 63 1.852 -7.048 -1.946 427 HB2 ALA 63 HB2 ALA 63 0.244 -7.732 -1.690 428 HB3 ALA 63 HB3 ALA 63 0.560 -6.724 -3.110 429 H SER 64 HN SER 64 0.740 -11.167 -3.198 430 HA SER 64 HA SER 64 -1.161 -11.333 -5.227 431 HB2 SER 64 HB2 SER 64 -0.090 -13.280 -4.045 432 HB3 SER 64 HB1 SER 64 -1.147 -12.963 -2.671 433 HG SER 64 HG SER 64 -2.217 -13.350 -5.259 434 H CYS 65 HN CYS 65 -3.175 -10.577 -5.417 435 HA CYS 65 HA CYS 65 -4.383 -9.314 -3.081 436 HB2 CYS 65 HB2 CYS 65 -4.333 -7.788 -4.875 437 HB3 CYS 65 HB1 CYS 65 -4.824 -9.024 -6.027 438 H GLN 66 HN GLN 66 -6.161 -9.898 -2.194 439 HA GLN 66 HA GLN 66 -7.962 -11.808 -3.531 440 HB2 GLN 66 HB2 GLN 66 -7.886 -11.751 -0.562 441 HB3 GLN 66 HB1 GLN 66 -8.183 -13.101 -1.641 442 HG2 GLN 66 HG2 GLN 66 -5.471 -11.967 -1.604 443 HG3 GLN 66 HG1 GLN 66 -5.981 -12.861 -0.186 444 HE21 GLN 66 HE21 GLN 66 -7.733 -14.597 -1.740 445 HE22 GLN 66 HE22 GLN 66 -6.705 -15.702 -2.574 446 H ASN 67 HN ASN 67 -9.959 -10.851 -3.791 447 HA ASN 67 HA ASN 67 -10.487 -8.533 -2.114 448 HB2 ASN 67 HB2 ASN 67 -12.528 -8.211 -3.569 449 HB3 ASN 67 HB1 ASN 67 -10.966 -7.951 -4.301 450 HD21 ASN 67 HD21 ASN 67 -13.506 -8.479 -5.518 451 HD22 ASN 67 HD22 ASN 67 -13.309 -9.902 -6.481 452 H ALA 68 HN ALA 68 -11.807 -8.436 -0.602 453 HA ALA 68 HA ALA 68 -13.631 -10.651 -0.021 454 HB1 ALA 68 HB1 ALA 68 -11.357 -9.752 1.728 455 HB2 ALA 68 HB2 ALA 68 -11.630 -11.362 1.049 456 HB3 ALA 68 HB3 ALA 68 -12.705 -10.736 2.304 457 H GLU 69 HN GLU 69 -14.766 -10.139 2.113 458 HA GLU 69 HA GLU 69 -15.218 -7.272 2.385 459 HB2 GLU 69 HB2 GLU 69 -17.624 -7.821 2.860 460 HB3 GLU 69 HB1 GLU 69 -17.104 -8.016 1.187 461 HG2 GLU 69 HG2 GLU 69 -16.868 -10.373 1.487 462 HG3 GLU 69 HG1 GLU 69 -17.223 -10.200 3.198 463 H SER 70 HN SER 70 -14.516 -6.689 4.260 464 HA SER 70 HA SER 70 -15.166 -8.314 6.619 465 HB2 SER 70 HB2 SER 70 -12.717 -8.472 5.903 466 HB3 SER 70 HB1 SER 70 -12.576 -6.764 6.320 467 HG SER 70 HG SER 70 -12.291 -8.784 7.922 468 H THR 71 HN THR 71 -15.116 -7.008 8.625 469 HA THR 71 HA THR 71 -16.708 -4.706 8.374 470 HB THR 71 HB THR 71 -16.821 -6.091 10.356 471 HG1 THR 71 HG1 THR 71 -17.454 -4.085 10.896 472 HG21 THR 71 HG21 THR 71 -14.023 -5.146 10.978 473 HG22 THR 71 HG22 THR 71 -14.464 -6.767 10.446 474 HG23 THR 71 HG23 THR 71 -15.033 -6.168 12.004 475 H GLU 72 HN GLU 72 -13.290 -5.160 8.377 476 HA GLU 72 HA GLU 72 -12.823 -2.270 8.598 477 HB2 GLU 72 HB2 GLU 72 -10.709 -4.379 8.304 478 HB3 GLU 72 HB1 GLU 72 -10.534 -2.752 8.936 479 HG2 GLU 72 HG2 GLU 72 -11.997 -3.454 10.849 480 HG3 GLU 72 HG1 GLU 72 -11.862 -5.104 10.241 481 H ASN 73 HN ASN 73 -12.364 -1.095 6.829 482 HA ASN 73 HA ASN 73 -12.658 -2.107 4.215 483 HB2 ASN 73 HB2 ASN 73 -11.306 0.160 3.726 484 HB3 ASN 73 HB1 ASN 73 -13.013 0.146 4.127 485 HD21 ASN 73 HD21 ASN 73 -13.684 0.943 6.093 486 HD22 ASN 73 HD22 ASN 73 -12.631 1.812 7.157 487 H SER 74 HN SER 74 -9.857 -1.705 6.278 488 HA SER 74 HA SER 74 -7.971 -2.150 4.175 489 HB2 SER 74 HB2 SER 74 -6.352 -2.437 6.114 490 HB3 SER 74 HB1 SER 74 -7.198 -0.890 6.047 491 HG SER 74 HG SER 74 -8.470 -1.483 7.716 492 H LYS 75 HN LYS 75 -9.882 -4.134 6.191 493 HA LYS 75 HA LYS 75 -8.263 -6.508 5.734 494 HB2 LYS 75 HB2 LYS 75 -10.781 -6.010 7.316 495 HB3 LYS 75 HB1 LYS 75 -10.044 -7.598 7.139 496 HG2 LYS 75 HG2 LYS 75 -8.251 -5.464 8.029 497 HG3 LYS 75 HG1 LYS 75 -9.519 -5.925 9.165 498 HD2 LYS 75 HD2 LYS 75 -7.738 -7.929 7.801 499 HD3 LYS 75 HD1 LYS 75 -7.346 -7.198 9.358 500 HE2 LYS 75 HE2 LYS 75 -9.965 -8.563 8.842 501 HE3 LYS 75 HE1 LYS 75 -8.544 -9.446 9.407 502 HZ1 LYS 75 HZ1 LYS 75 -9.713 -7.096 10.809 503 HZ2 LYS 75 HZ2 LYS 75 -8.474 -8.113 11.368 504 HZ3 LYS 75 HZ3 LYS 75 -10.052 -8.714 11.207 505 H LYS 76 HN LYS 76 -10.211 -4.871 3.825 506 HA LYS 76 HA LYS 76 -11.918 -7.032 2.948 507 HB2 LYS 76 HB2 LYS 76 -11.497 -4.305 1.775 508 HB3 LYS 76 HB1 LYS 76 -12.670 -5.485 1.218 509 HG2 LYS 76 HG2 LYS 76 -13.755 -5.389 3.439 510 HG3 LYS 76 HG1 LYS 76 -12.626 -4.103 3.885 511 HD2 LYS 76 HD2 LYS 76 -13.419 -2.960 1.732 512 HD3 LYS 76 HD1 LYS 76 -14.749 -4.104 1.790 513 HE2 LYS 76 HE2 LYS 76 -14.051 -2.188 3.987 514 HE3 LYS 76 HE1 LYS 76 -15.272 -1.898 2.759 515 HZ1 LYS 76 HZ1 LYS 76 -15.324 -4.098 4.758 516 HZ2 LYS 76 HZ2 LYS 76 -16.474 -3.855 3.533 517 HZ3 LYS 76 HZ3 LYS 76 -16.294 -2.706 4.769 518 H ILE 77 HN ILE 77 -9.284 -5.085 1.607 519 HA ILE 77 HA ILE 77 -8.889 -7.097 -0.470 520 HB ILE 77 HB ILE 77 -7.531 -4.431 -0.080 521 HG12 ILE 77 HG12 ILE 77 -9.872 -4.223 -0.778 522 HG13 ILE 77 HG11 ILE 77 -8.783 -3.747 -2.081 523 HG21 ILE 77 HG21 ILE 77 -6.029 -6.000 -1.150 524 HG22 ILE 77 HG22 ILE 77 -6.576 -4.787 -2.313 525 HG23 ILE 77 HG23 ILE 77 -7.274 -6.409 -2.332 526 HD11 ILE 77 HD11 ILE 77 -9.122 -5.855 -3.189 527 HD12 ILE 77 HD12 ILE 77 -10.683 -5.097 -2.852 528 HD13 ILE 77 HD13 ILE 77 -10.111 -6.435 -1.847 529 H ILE 78 HN ILE 78 -7.595 -8.679 -0.082 530 HA ILE 78 HA ILE 78 -5.657 -8.483 2.085 531 HB ILE 78 HB ILE 78 -6.486 -10.892 0.460 532 HG12 ILE 78 HG12 ILE 78 -7.464 -11.543 2.767 533 HG13 ILE 78 HG11 ILE 78 -7.356 -9.828 3.138 534 HG21 ILE 78 HG21 ILE 78 -4.742 -10.675 2.903 535 HG22 ILE 78 HG22 ILE 78 -4.235 -11.132 1.277 536 HG23 ILE 78 HG23 ILE 78 -5.315 -12.184 2.193 537 HD11 ILE 78 HD11 ILE 78 -8.857 -9.281 1.363 538 HD12 ILE 78 HD12 ILE 78 -9.589 -10.562 2.329 539 HD13 ILE 78 HD13 ILE 78 -8.844 -10.943 0.777 540 H CYS 79 HN CYS 79 -3.761 -7.735 1.560 541 HA CYS 79 HA CYS 79 -2.623 -8.398 -1.056 542 HB2 CYS 79 HB2 CYS 79 -1.694 -6.240 0.841 543 HB3 CYS 79 HB1 CYS 79 -1.278 -6.431 -0.861 544 H THR 80 HN THR 80 -1.290 -10.017 -1.011 545 HA THR 80 HA THR 80 0.185 -10.615 1.464 546 HB THR 80 HB THR 80 -0.713 -12.470 -0.752 547 HG1 THR 80 HG1 THR 80 -1.618 -12.110 1.935 548 HG21 THR 80 HG21 THR 80 0.801 -13.034 1.796 549 HG22 THR 80 HG22 THR 80 1.365 -13.266 0.139 550 HG23 THR 80 HG23 THR 80 0.066 -14.273 0.778 551 H CYS 81 HN CYS 81 2.277 -10.005 1.281 552 HA CYS 81 HA CYS 81 3.506 -9.811 -1.330 553 HB2 CYS 81 HB2 CYS 81 4.866 -9.505 1.359 554 HB3 CYS 81 HB1 CYS 81 5.404 -8.879 -0.193 555 H LYS 82 HN LYS 82 5.350 -11.050 -1.978 556 HA LYS 82 HA LYS 82 4.693 -13.785 -1.548 557 HB2 LYS 82 HB2 LYS 82 6.835 -12.550 -3.262 558 HB3 LYS 82 HB1 LYS 82 6.341 -14.236 -3.318 559 HG2 LYS 82 HG2 LYS 82 4.726 -11.813 -4.032 560 HG3 LYS 82 HG1 LYS 82 5.307 -13.075 -5.117 561 HD2 LYS 82 HD2 LYS 82 3.794 -14.661 -4.212 562 HD3 LYS 82 HD1 LYS 82 3.408 -13.614 -2.845 563 HE2 LYS 82 HE2 LYS 82 1.605 -13.535 -4.421 564 HE3 LYS 82 HE1 LYS 82 2.450 -11.989 -4.417 565 HZ1 LYS 82 HZ1 LYS 82 2.020 -12.556 -6.658 566 HZ2 LYS 82 HZ2 LYS 82 2.619 -14.131 -6.461 567 HZ3 LYS 82 HZ3 LYS 82 3.679 -12.808 -6.413 568 H GLU 83 HN GLU 83 6.781 -15.309 -1.759 569 HA GLU 83 HA GLU 83 7.671 -15.569 0.855 570 HB2 GLU 83 HB2 GLU 83 8.852 -16.792 -1.633 571 HB3 GLU 83 HB1 GLU 83 9.068 -17.378 0.012 572 HG2 GLU 83 HG2 GLU 83 6.685 -17.792 0.178 573 HG3 GLU 83 HG1 GLU 83 6.450 -17.183 -1.450 574 HA PRO 84 HA PRO 84 11.985 -13.908 -0.336 575 HB2 PRO 84 HB2 PRO 84 12.334 -12.351 -2.477 576 HB3 PRO 84 HB1 PRO 84 12.362 -14.113 -2.603 577 HG2 PRO 84 HG2 PRO 84 10.197 -12.200 -3.321 578 HG3 PRO 84 HG1 PRO 84 10.693 -13.691 -4.139 579 HD2 PRO 84 HD2 PRO 84 8.527 -13.453 -2.425 580 HD3 PRO 84 HD1 PRO 84 9.339 -14.977 -2.835 581 H THR 85 HN THR 85 9.152 -12.316 -0.115 582 HA THR 85 HA THR 85 10.407 -9.747 0.561 583 HB THR 85 HB THR 85 8.421 -8.620 -0.135 584 HG1 THR 85 HG1 THR 85 7.243 -11.051 0.343 585 HG21 THR 85 HG21 THR 85 8.971 -10.874 -2.071 586 HG22 THR 85 HG22 THR 85 9.770 -9.300 -2.025 587 HG23 THR 85 HG23 THR 85 8.065 -9.411 -2.463 588 HA PRO 86 HA PRO 86 9.059 -11.819 4.446 589 HB2 PRO 86 HB2 PRO 86 11.205 -10.167 5.585 590 HB3 PRO 86 HB1 PRO 86 11.000 -11.918 5.644 591 HG2 PRO 86 HG2 PRO 86 12.914 -10.754 4.178 592 HG3 PRO 86 HG1 PRO 86 12.080 -12.222 3.627 593 HD2 PRO 86 HD2 PRO 86 11.643 -9.367 2.824 594 HD3 PRO 86 HD1 PRO 86 11.701 -10.830 1.816 595 H ASN 87 HN ASN 87 8.798 -8.757 3.296 596 HA ASN 87 HA ASN 87 7.500 -7.740 5.698 597 HB2 ASN 87 HB2 ASN 87 9.552 -6.169 4.152 598 HB3 ASN 87 HB1 ASN 87 8.705 -5.656 5.592 599 HD21 ASN 87 HD21 ASN 87 11.328 -7.329 4.296 600 HD22 ASN 87 HD22 ASN 87 12.068 -7.854 5.771 601 H ALA 88 HN ALA 88 6.711 -5.348 5.000 602 HA ALA 88 HA ALA 88 5.852 -5.321 2.217 603 HB1 ALA 88 HB1 ALA 88 3.511 -5.023 2.787 604 HB2 ALA 88 HB2 ALA 88 3.885 -5.191 4.503 605 HB3 ALA 88 HB3 ALA 88 4.096 -6.563 3.415 606 H TYR 89 HN TYR 89 5.360 -3.265 1.465 607 HA TYR 89 HA TYR 89 6.259 -1.034 3.059 608 HB2 TYR 89 HB2 TYR 89 4.793 -0.948 0.401 609 HB3 TYR 89 HB1 TYR 89 5.722 0.353 1.125 610 HD1 TYR 89 HD1 TYR 89 7.665 -2.523 1.623 611 HD2 TYR 89 HD2 TYR 89 6.386 0.138 -1.434 612 HE1 TYR 89 HE1 TYR 89 9.620 -3.119 0.274 613 HE2 TYR 89 HE2 TYR 89 8.333 -0.454 -2.791 614 HH TYR 89 HH TYR 89 10.702 -1.349 -2.306 615 H TYR 90 HN TYR 90 4.989 -0.455 4.688 616 HA TYR 90 HA TYR 90 3.201 0.067 5.961 617 HB2 TYR 90 HB2 TYR 90 2.538 1.214 3.540 618 HB3 TYR 90 HB1 TYR 90 1.117 0.250 3.925 619 HD1 TYR 90 HD1 TYR 90 2.686 3.333 4.408 620 HD2 TYR 90 HD2 TYR 90 0.279 0.490 6.441 621 HE1 TYR 90 HE1 TYR 90 2.006 5.065 5.995 622 HE2 TYR 90 HE2 TYR 90 -0.429 2.220 8.041 623 HH TYR 90 HH TYR 90 0.222 5.557 7.536 624 H GLU 91 HN GLU 91 0.635 -1.039 4.127 625 HA GLU 91 HA GLU 91 0.368 -3.251 6.023 626 HB2 GLU 91 HB2 GLU 91 -1.835 -2.503 4.166 627 HB3 GLU 91 HB1 GLU 91 -1.909 -3.024 5.843 628 HG2 GLU 91 HG2 GLU 91 -1.021 -0.805 6.515 629 HG3 GLU 91 HG1 GLU 91 -1.115 -0.309 4.825 630 H GLY 92 HN GLY 92 1.548 -2.966 2.982 631 HA2 GLY 92 HA2 GLY 92 1.953 -5.069 1.717 632 HA3 GLY 92 HA1 GLY 92 0.253 -5.449 2.001 633 H VAL 93 HN VAL 93 0.427 -2.234 1.652 634 HA VAL 93 HA VAL 93 -0.882 -2.029 -0.777 635 HB VAL 93 HB VAL 93 0.871 0.104 0.495 636 HG11 VAL 93 HG11 VAL 93 -0.725 1.658 -0.484 637 HG12 VAL 93 HG12 VAL 93 -1.584 0.305 -1.218 638 HG13 VAL 93 HG13 VAL 93 0.072 0.672 -1.708 639 HG21 VAL 93 HG21 VAL 93 -0.559 -0.769 2.228 640 HG22 VAL 93 HG22 VAL 93 -1.971 -0.650 1.177 641 HG23 VAL 93 HG23 VAL 93 -1.158 0.816 1.726 642 H PHE 94 HN PHE 94 2.504 -2.000 0.035 643 HA PHE 94 HA PHE 94 3.117 -2.739 -2.682 644 HB2 PHE 94 HB2 PHE 94 5.320 -1.149 -2.130 645 HB3 PHE 94 HB1 PHE 94 4.070 -0.809 -3.302 646 HD1 PHE 94 HD1 PHE 94 2.429 -0.249 -0.256 647 HD2 PHE 94 HD2 PHE 94 5.532 1.370 -2.677 648 HE1 PHE 94 HE1 PHE 94 2.098 1.942 0.792 649 HE2 PHE 94 HE2 PHE 94 5.196 3.566 -1.629 650 HZ PHE 94 HZ PHE 94 3.475 3.856 0.105 651 H CYS 95 HN CYS 95 5.328 -3.782 -2.804 652 HA CYS 95 HA CYS 95 6.448 -4.509 -0.197 653 HB2 CYS 95 HB2 CYS 95 5.973 -6.762 -2.123 654 HB3 CYS 95 HB1 CYS 95 6.219 -6.815 -0.377 655 H SER 96 HN SER 96 8.558 -5.714 -0.429 656 HA SER 96 HA SER 96 10.000 -4.734 -2.815 657 HB2 SER 96 HB2 SER 96 10.681 -3.725 -0.608 658 HB3 SER 96 HB1 SER 96 11.164 -5.332 -0.087 659 HG SER 96 HG SER 96 13.006 -4.734 -0.917 660 H SER 97 HN SER 97 10.734 -6.252 -4.135 661 HA SER 97 HA SER 97 11.131 -8.949 -3.050 662 HB2 SER 97 HB2 SER 97 10.777 -8.109 -5.915 663 HB3 SER 97 HB1 SER 97 10.879 -9.760 -5.321 664 HG SER 97 HG SER 97 8.767 -7.985 -5.277 665 H SER 98 HN SER 98 13.116 -7.833 -2.257 666 HA SER 98 HA SER 98 15.335 -8.717 -3.876 667 HB2 SER 98 HB2 SER 98 15.211 -5.834 -2.942 668 HB3 SER 98 HB1 SER 98 16.593 -6.607 -3.715 669 HG SER 98 HG SER 98 14.491 -7.004 -5.272 670 H SER 99 HN SER 99 14.074 -9.484 -1.404 671 HA SER 99 HA SER 99 16.126 -8.757 0.571 672 HB2 SER 99 HB2 SER 99 14.020 -9.778 2.029 673 HB3 SER 99 HB1 SER 99 14.314 -8.068 1.712 674 HG SER 99 HG SER 99 12.648 -9.837 0.240 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 19.358 -10.440 0.519 2 H2 GLY 1 HT2 GLY 1 19.379 -10.714 -1.154 3 H3 GLY 1 HT3 GLY 1 17.909 -10.442 -0.361 4 HA2 GLY 1 HA2 GLY 1 18.651 -8.486 -1.598 5 HA3 GLY 1 HA1 GLY 1 20.113 -8.470 -0.624 6 H VAL 2 HN VAL 2 18.457 -6.287 -0.755 7 HA VAL 2 HA VAL 2 18.020 -5.628 1.904 8 HB VAL 2 HB VAL 2 18.384 -3.957 0.169 9 HG11 VAL 2 HG11 VAL 2 16.431 -3.416 -1.290 10 HG12 VAL 2 HG12 VAL 2 15.670 -4.896 -0.674 11 HG13 VAL 2 HG13 VAL 2 17.169 -4.992 -1.593 12 HG21 VAL 2 HG21 VAL 2 16.652 -2.361 0.888 13 HG22 VAL 2 HG22 VAL 2 17.305 -3.270 2.251 14 HG23 VAL 2 HG23 VAL 2 15.725 -3.695 1.586 15 H ASP 3 HN ASP 3 16.355 -5.766 3.240 16 HA ASP 3 HA ASP 3 13.931 -7.069 2.280 17 HB2 ASP 3 HB2 ASP 3 13.461 -7.466 4.635 18 HB3 ASP 3 HB1 ASP 3 15.080 -8.006 4.218 19 HA PRO 4 HA PRO 4 11.660 -3.450 1.511 20 HB2 PRO 4 HB2 PRO 4 9.291 -4.450 2.721 21 HB3 PRO 4 HB1 PRO 4 9.720 -4.386 1.014 22 HG2 PRO 4 HG2 PRO 4 9.920 -6.605 2.937 23 HG3 PRO 4 HG1 PRO 4 9.737 -6.660 1.177 24 HD2 PRO 4 HD2 PRO 4 12.022 -7.307 2.392 25 HD3 PRO 4 HD1 PRO 4 12.004 -6.476 0.830 26 H LYS 5 HN LYS 5 12.269 -4.231 4.831 27 HA LYS 5 HA LYS 5 10.260 -2.483 5.919 28 HB2 LYS 5 HB2 LYS 5 11.454 -2.829 8.098 29 HB3 LYS 5 HB1 LYS 5 10.845 -4.272 7.328 30 HG2 LYS 5 HG2 LYS 5 12.999 -4.767 8.216 31 HG3 LYS 5 HG1 LYS 5 13.159 -4.695 6.463 32 HD2 LYS 5 HD2 LYS 5 14.119 -2.484 6.592 33 HD3 LYS 5 HD1 LYS 5 13.832 -2.420 8.331 34 HE2 LYS 5 HE2 LYS 5 15.665 -4.358 6.926 35 HE3 LYS 5 HE1 LYS 5 16.177 -2.901 7.776 36 HZ1 LYS 5 HZ1 LYS 5 14.840 -5.266 8.974 37 HZ2 LYS 5 HZ2 LYS 5 15.212 -3.838 9.812 38 HZ3 LYS 5 HZ3 LYS 5 16.457 -4.802 9.185 39 H HIS 6 HN HIS 6 12.667 -1.466 4.217 40 HA HIS 6 HA HIS 6 14.026 0.302 6.002 41 HB2 HIS 6 HB2 HIS 6 14.812 1.313 3.729 42 HB3 HIS 6 HB1 HIS 6 15.368 -0.291 4.210 43 HD1 HIS 6 HD1 HIS 6 14.352 -2.320 2.915 44 HD2 HIS 6 HD2 HIS 6 13.154 1.425 1.596 45 HE1 HIS 6 HE1 HIS 6 13.068 -2.728 0.783 46 HE2 HIS 6 HE2 HIS 6 12.325 -0.457 0.019 47 H VAL 7 HN VAL 7 11.033 0.405 5.521 48 HA VAL 7 HA VAL 7 9.352 1.873 5.611 49 HB VAL 7 HB VAL 7 9.646 3.689 7.175 50 HG11 VAL 7 HG11 VAL 7 10.641 2.338 9.046 51 HG12 VAL 7 HG12 VAL 7 11.082 1.121 7.839 52 HG13 VAL 7 HG13 VAL 7 9.385 1.523 8.112 53 HG21 VAL 7 HG21 VAL 7 12.610 3.148 6.971 54 HG22 VAL 7 HG22 VAL 7 11.840 4.208 8.151 55 HG23 VAL 7 HG23 VAL 7 11.775 4.607 6.434 56 H CYS 8 HN CYS 8 9.565 4.820 5.763 57 HA CYS 8 HA CYS 8 10.283 5.593 3.057 58 HB2 CYS 8 HB2 CYS 8 7.924 6.129 2.504 59 HB3 CYS 8 HB1 CYS 8 8.160 4.412 2.757 60 H VAL 9 HN VAL 9 10.316 7.752 2.751 61 HA VAL 9 HA VAL 9 8.765 9.540 4.396 62 HB VAL 9 HB VAL 9 10.802 11.106 4.535 63 HG11 VAL 9 HG11 VAL 9 11.610 10.123 6.635 64 HG12 VAL 9 HG12 VAL 9 10.789 8.616 6.224 65 HG13 VAL 9 HG13 VAL 9 9.849 10.079 6.518 66 HG21 VAL 9 HG21 VAL 9 12.219 8.489 4.075 67 HG22 VAL 9 HG22 VAL 9 12.995 9.954 4.692 68 HG23 VAL 9 HG23 VAL 9 12.302 9.940 3.067 69 H ASP 10 HN ASP 10 7.616 10.305 2.719 70 HA ASP 10 HA ASP 10 9.090 11.181 0.350 71 HB2 ASP 10 HB2 ASP 10 8.138 9.115 -0.266 72 HB3 ASP 10 HB1 ASP 10 6.610 9.504 0.484 73 H THR 11 HN THR 11 8.146 12.852 -0.851 74 HA THR 11 HA THR 11 6.902 14.669 -1.350 75 HB THR 11 HB THR 11 5.294 12.486 -0.985 76 HG1 THR 11 HG1 THR 11 5.108 13.619 -2.827 77 HG21 THR 11 HG21 THR 11 3.867 14.814 0.278 78 HG22 THR 11 HG22 THR 11 4.497 13.427 1.163 79 HG23 THR 11 HG23 THR 11 3.221 13.200 -0.036 80 H ARG 12 HN ARG 12 5.024 16.151 -0.329 81 HA ARG 12 HA ARG 12 6.462 17.497 1.779 82 HB2 ARG 12 HB2 ARG 12 3.988 18.342 0.333 83 HB3 ARG 12 HB1 ARG 12 4.999 19.363 1.325 84 HG2 ARG 12 HG2 ARG 12 5.536 19.921 -0.873 85 HG3 ARG 12 HG1 ARG 12 6.852 18.875 -0.343 86 HD2 ARG 12 HD2 ARG 12 5.972 17.029 -1.543 87 HD3 ARG 12 HD1 ARG 12 4.483 17.901 -1.919 88 HE ARG 12 HE ARG 12 6.296 19.461 -3.089 89 HH11 ARG 12 HH11 ARG 12 5.941 15.986 -3.108 90 HH12 ARG 12 HH12 ARG 12 6.681 15.775 -4.665 91 HH21 ARG 12 HH21 ARG 12 7.266 19.208 -5.139 92 HH22 ARG 12 HH22 ARG 12 7.435 17.622 -5.829 93 H ASP 13 HN ASP 13 3.348 16.158 1.053 94 HA ASP 13 HA ASP 13 2.927 15.462 3.841 95 HB2 ASP 13 HB2 ASP 13 1.956 17.732 3.663 96 HB3 ASP 13 HB1 ASP 13 0.900 17.161 2.376 97 H ILE 14 HN ILE 14 2.717 13.342 3.532 98 HA ILE 14 HA ILE 14 1.363 12.216 1.259 99 HB ILE 14 HB ILE 14 2.424 10.914 3.779 100 HG12 ILE 14 HG12 ILE 14 3.560 10.546 1.061 101 HG13 ILE 14 HG11 ILE 14 3.848 12.077 1.871 102 HG21 ILE 14 HG21 ILE 14 1.216 9.705 1.306 103 HG22 ILE 14 HG22 ILE 14 0.771 9.413 2.990 104 HG23 ILE 14 HG23 ILE 14 2.320 8.809 2.361 105 HD11 ILE 14 HD11 ILE 14 5.634 10.407 2.130 106 HD12 ILE 14 HD12 ILE 14 4.499 9.415 3.067 107 HD13 ILE 14 HD13 ILE 14 4.970 11.011 3.649 108 HA PRO 15 HA PRO 15 -2.766 12.636 2.520 109 HB2 PRO 15 HB2 PRO 15 -3.038 9.929 1.296 110 HB3 PRO 15 HB1 PRO 15 -3.974 11.389 1.021 111 HG2 PRO 15 HG2 PRO 15 -2.202 10.690 -0.763 112 HG3 PRO 15 HG1 PRO 15 -2.290 12.388 -0.262 113 HD2 PRO 15 HD2 PRO 15 -0.379 10.257 0.588 114 HD3 PRO 15 HD1 PRO 15 -0.040 11.935 0.145 115 H LYS 16 HN LYS 16 -4.268 11.937 4.023 116 HA LYS 16 HA LYS 16 -3.306 10.670 6.287 117 HB2 LYS 16 HB2 LYS 16 -5.163 12.259 6.154 118 HB3 LYS 16 HB1 LYS 16 -6.157 11.002 5.435 119 HG2 LYS 16 HG2 LYS 16 -6.139 9.727 7.409 120 HG3 LYS 16 HG1 LYS 16 -4.854 10.711 8.119 121 HD2 LYS 16 HD2 LYS 16 -6.316 12.617 8.196 122 HD3 LYS 16 HD1 LYS 16 -7.599 11.697 7.413 123 HE2 LYS 16 HE2 LYS 16 -7.988 11.823 9.815 124 HE3 LYS 16 HE1 LYS 16 -7.659 10.161 9.325 125 HZ1 LYS 16 HZ1 LYS 16 -6.481 10.744 11.352 126 HZ2 LYS 16 HZ2 LYS 16 -5.698 12.020 10.566 127 HZ3 LYS 16 HZ3 LYS 16 -5.381 10.420 10.103 128 H ASN 17 HN ASN 17 -5.560 9.449 3.882 129 HA ASN 17 HA ASN 17 -5.447 6.823 5.101 130 HB2 ASN 17 HB2 ASN 17 -7.020 7.817 2.714 131 HB3 ASN 17 HB1 ASN 17 -7.233 6.266 3.511 132 HD21 ASN 17 HD21 ASN 17 -6.642 7.665 6.111 133 HD22 ASN 17 HD22 ASN 17 -8.125 8.432 6.520 134 H ALA 18 HN ALA 18 -3.104 7.910 4.051 135 HA ALA 18 HA ALA 18 -2.558 6.035 1.851 136 HB1 ALA 18 HB1 ALA 18 -2.745 8.298 0.928 137 HB2 ALA 18 HB2 ALA 18 -1.104 7.664 0.792 138 HB3 ALA 18 HB3 ALA 18 -1.495 8.850 2.045 139 H GLY 19 HN GLY 19 -0.313 5.548 1.616 140 HA2 GLY 19 HA2 GLY 19 1.343 6.050 3.986 141 HA3 GLY 19 HA1 GLY 19 1.111 4.392 3.428 142 H CYS 20 HN CYS 20 3.628 5.363 3.562 143 HA CYS 20 HA CYS 20 4.237 6.246 0.850 144 HB2 CYS 20 HB2 CYS 20 6.179 7.439 1.845 145 HB3 CYS 20 HB1 CYS 20 4.621 8.056 2.316 146 H PHE 21 HN PHE 21 6.072 5.523 -0.137 147 HA PHE 21 HA PHE 21 7.640 3.559 1.381 148 HB2 PHE 21 HB2 PHE 21 6.397 2.447 -0.417 149 HB3 PHE 21 HB1 PHE 21 7.144 3.557 -1.561 150 HD1 PHE 21 HD1 PHE 21 8.564 1.831 1.334 151 HD2 PHE 21 HD2 PHE 21 8.629 2.266 -2.869 152 HE1 PHE 21 HE1 PHE 21 10.529 0.414 1.226 153 HE2 PHE 21 HE2 PHE 21 10.618 0.821 -2.980 154 HZ PHE 21 HZ PHE 21 11.571 -0.099 -0.870 155 H ARG 22 HN ARG 22 9.740 3.862 1.458 156 HA ARG 22 HA ARG 22 11.031 5.339 -0.702 157 HB2 ARG 22 HB2 ARG 22 10.933 6.886 1.206 158 HB3 ARG 22 HB1 ARG 22 11.701 5.670 2.214 159 HG2 ARG 22 HG2 ARG 22 13.673 5.730 0.867 160 HG3 ARG 22 HG1 ARG 22 12.926 6.897 -0.220 161 HD2 ARG 22 HD2 ARG 22 12.602 8.008 2.265 162 HD3 ARG 22 HD1 ARG 22 14.207 7.285 2.337 163 HE ARG 22 HE ARG 22 13.549 8.830 -0.024 164 HH11 ARG 22 HH11 ARG 22 15.318 8.617 2.993 165 HH12 ARG 22 HH12 ARG 22 16.188 10.098 2.747 166 HH21 ARG 22 HH21 ARG 22 14.688 10.788 -0.358 167 HH22 ARG 22 HH22 ARG 22 15.848 11.327 0.828 168 H ASP 23 HN ASP 23 12.483 3.995 -1.609 169 HA ASP 23 HA ASP 23 12.980 1.580 -0.122 170 HB2 ASP 23 HB2 ASP 23 13.906 0.620 -2.119 171 HB3 ASP 23 HB1 ASP 23 12.339 1.346 -2.430 172 H ASP 24 HN ASP 24 15.474 0.767 -1.035 173 HA ASP 24 HA ASP 24 17.120 2.217 0.800 174 HB2 ASP 24 HB2 ASP 24 17.231 -0.244 0.510 175 HB3 ASP 24 HB1 ASP 24 17.903 0.012 -1.095 176 H ASP 25 HN ASP 25 16.515 2.347 -2.553 177 HA ASP 25 HA ASP 25 19.030 3.477 -3.366 178 HB2 ASP 25 HB2 ASP 25 17.576 2.167 -4.900 179 HB3 ASP 25 HB1 ASP 25 16.356 3.436 -4.800 180 H GLY 26 HN GLY 26 15.971 4.624 -2.219 181 HA2 GLY 26 HA2 GLY 26 15.981 6.845 -1.158 182 HA3 GLY 26 HA1 GLY 26 16.916 7.407 -2.540 183 H THR 27 HN THR 27 14.711 5.195 -3.583 184 HA THR 27 HA THR 27 13.085 6.981 -5.032 185 HB THR 27 HB THR 27 12.380 4.202 -4.148 186 HG1 THR 27 HG1 THR 27 14.044 3.534 -5.245 187 HG21 THR 27 HG21 THR 27 10.602 5.381 -5.329 188 HG22 THR 27 HG22 THR 27 11.238 4.064 -6.315 189 HG23 THR 27 HG23 THR 27 11.704 5.729 -6.663 190 H GLU 28 HN GLU 28 11.042 7.830 -4.560 191 HA GLU 28 HA GLU 28 9.883 7.097 -1.972 192 HB2 GLU 28 HB2 GLU 28 10.456 9.894 -2.944 193 HB3 GLU 28 HB1 GLU 28 9.418 9.527 -1.569 194 HG2 GLU 28 HG2 GLU 28 11.172 8.849 -0.247 195 HG3 GLU 28 HG1 GLU 28 12.182 8.424 -1.622 196 H GLU 29 HN GLU 29 7.883 6.516 -2.166 197 HA GLU 29 HA GLU 29 6.104 7.818 -4.089 198 HB2 GLU 29 HB2 GLU 29 6.858 6.091 -5.484 199 HB3 GLU 29 HB1 GLU 29 6.932 4.937 -4.164 200 HG2 GLU 29 HG2 GLU 29 4.477 4.917 -4.071 201 HG3 GLU 29 HG1 GLU 29 4.427 6.022 -5.443 202 H TRP 30 HN TRP 30 4.196 8.152 -3.091 203 HA TRP 30 HA TRP 30 3.555 6.332 -0.898 204 HB2 TRP 30 HB2 TRP 30 1.988 8.004 -0.079 205 HB3 TRP 30 HB1 TRP 30 3.596 8.687 -0.256 206 HD1 TRP 30 HD TRP 30 3.773 10.876 -1.591 207 HE1 TRP 30 HE1 TRP 30 2.128 12.299 -2.966 208 HE3 TRP 30 HE3 TRP 30 -0.148 7.616 -1.739 209 HZ2 TRP 30 HZ2 TRP 30 -0.517 12.057 -3.968 210 HZ3 TRP 30 HZ3 TRP 30 -2.202 8.298 -2.922 211 HH2 TRP 30 HH TRP 30 -2.368 10.475 -4.014 212 H ARG 31 HN ARG 31 1.411 5.610 -0.652 213 HA ARG 31 HA ARG 31 -0.169 5.382 -3.109 214 HB2 ARG 31 HB2 ARG 31 0.738 3.043 -1.424 215 HB3 ARG 31 HB1 ARG 31 -0.497 2.951 -2.669 216 HG2 ARG 31 HG2 ARG 31 1.289 3.755 -4.289 217 HG3 ARG 31 HG1 ARG 31 2.436 3.434 -2.990 218 HD2 ARG 31 HD2 ARG 31 1.551 1.106 -2.863 219 HD3 ARG 31 HD1 ARG 31 0.584 1.448 -4.296 220 HE ARG 31 HE ARG 31 3.391 1.990 -4.656 221 HH11 ARG 31 HH11 ARG 31 1.070 -0.631 -4.528 222 HH12 ARG 31 HH12 ARG 31 1.833 -1.545 -5.794 223 HH21 ARG 31 HH21 ARG 31 4.430 0.755 -6.293 224 HH22 ARG 31 HH22 ARG 31 3.763 -0.779 -6.755 225 H CYS 32 HN CYS 32 -2.173 3.879 -2.348 226 HA CYS 32 HA CYS 32 -3.239 5.281 0.013 227 HB2 CYS 32 HB2 CYS 32 -4.783 4.058 -2.299 228 HB3 CYS 32 HB1 CYS 32 -5.460 4.998 -0.975 229 H LEU 33 HN LEU 33 -4.058 4.088 1.613 230 HA LEU 33 HA LEU 33 -2.858 1.587 1.935 231 HB2 LEU 33 HB2 LEU 33 -5.085 2.782 3.549 232 HB3 LEU 33 HB1 LEU 33 -4.033 1.491 4.070 233 HG LEU 33 HG LEU 33 -3.523 4.417 3.865 234 HD11 LEU 33 HD11 LEU 33 -2.507 4.064 6.036 235 HD12 LEU 33 HD12 LEU 33 -2.746 2.318 5.880 236 HD13 LEU 33 HD13 LEU 33 -4.142 3.400 5.994 237 HD21 LEU 33 HD21 LEU 33 -1.258 2.450 3.962 238 HD22 LEU 33 HD22 LEU 33 -1.198 4.216 3.805 239 HD23 LEU 33 HD23 LEU 33 -1.798 3.228 2.472 240 H LEU 34 HN LEU 34 -4.123 -0.322 2.795 241 HA LEU 34 HA LEU 34 -5.457 -1.386 0.595 242 HB2 LEU 34 HB2 LEU 34 -5.262 -2.470 3.395 243 HB3 LEU 34 HB1 LEU 34 -5.600 -3.389 1.937 244 HG LEU 34 HG LEU 34 -3.030 -1.952 2.579 245 HD11 LEU 34 HD11 LEU 34 -2.050 -4.179 2.581 246 HD12 LEU 34 HD12 LEU 34 -3.648 -4.886 2.318 247 HD13 LEU 34 HD13 LEU 34 -3.297 -4.022 3.819 248 HD21 LEU 34 HD21 LEU 34 -2.205 -2.833 0.478 249 HD22 LEU 34 HD22 LEU 34 -3.621 -1.810 0.209 250 HD23 LEU 34 HD23 LEU 34 -3.778 -3.564 0.151 251 H GLY 35 HN GLY 35 -7.515 -1.405 0.067 252 HA2 GLY 35 HA2 GLY 35 -9.806 -1.264 0.281 253 HA3 GLY 35 HA1 GLY 35 -9.608 -1.238 2.030 254 H TYR 36 HN TYR 36 -7.794 0.976 0.087 255 HA TYR 36 HA TYR 36 -9.738 3.123 0.556 256 HB2 TYR 36 HB2 TYR 36 -6.712 3.303 0.769 257 HB3 TYR 36 HB1 TYR 36 -7.820 4.649 0.876 258 HD1 TYR 36 HD1 TYR 36 -6.243 4.856 2.934 259 HD2 TYR 36 HD2 TYR 36 -9.304 1.965 2.597 260 HE1 TYR 36 HE1 TYR 36 -6.315 4.635 5.382 261 HE2 TYR 36 HE2 TYR 36 -9.384 1.716 5.028 262 HH TYR 36 HH TYR 36 -7.911 2.103 6.964 263 H LYS 37 HN LYS 37 -9.319 4.971 -0.966 264 HA LYS 37 HA LYS 37 -8.375 4.011 -3.579 265 HB2 LYS 37 HB2 LYS 37 -10.337 5.159 -4.572 266 HB3 LYS 37 HB1 LYS 37 -10.804 3.828 -3.521 267 HG2 LYS 37 HG2 LYS 37 -11.163 5.519 -1.714 268 HG3 LYS 37 HG1 LYS 37 -10.906 6.773 -2.932 269 HD2 LYS 37 HD2 LYS 37 -12.773 5.909 -4.229 270 HD3 LYS 37 HD1 LYS 37 -13.002 4.618 -3.036 271 HE2 LYS 37 HE2 LYS 37 -13.558 6.237 -1.334 272 HE3 LYS 37 HE1 LYS 37 -13.175 7.570 -2.422 273 HZ1 LYS 37 HZ1 LYS 37 -15.586 7.088 -2.173 274 HZ2 LYS 37 HZ2 LYS 37 -15.336 5.597 -2.943 275 HZ3 LYS 37 HZ3 LYS 37 -15.035 7.045 -3.775 276 H LYS 38 HN LYS 38 -8.461 6.000 -5.136 277 HA LYS 38 HA LYS 38 -7.010 8.175 -3.837 278 HB2 LYS 38 HB2 LYS 38 -6.226 6.900 -5.975 279 HB3 LYS 38 HB1 LYS 38 -7.414 7.893 -6.801 280 HG2 LYS 38 HG2 LYS 38 -5.351 8.994 -7.009 281 HG3 LYS 38 HG1 LYS 38 -6.291 9.896 -5.814 282 HD2 LYS 38 HD2 LYS 38 -4.391 9.738 -4.599 283 HD3 LYS 38 HD1 LYS 38 -5.046 8.136 -4.201 284 HE2 LYS 38 HE2 LYS 38 -3.205 8.675 -6.522 285 HE3 LYS 38 HE1 LYS 38 -2.634 8.182 -4.931 286 HZ1 LYS 38 HZ1 LYS 38 -4.409 6.637 -6.742 287 HZ2 LYS 38 HZ2 LYS 38 -3.987 6.156 -5.174 288 HZ3 LYS 38 HZ3 LYS 38 -2.795 6.290 -6.368 289 H GLY 39 HN GLY 39 -7.850 10.168 -3.626 290 HA2 GLY 39 HA2 GLY 39 -10.650 10.448 -4.468 291 HA3 GLY 39 HA1 GLY 39 -9.882 11.315 -3.145 292 H GLU 40 HN GLU 40 -9.265 13.310 -3.494 293 HA GLU 40 HA GLU 40 -9.631 14.492 -6.102 294 HB2 GLU 40 HB2 GLU 40 -9.123 16.609 -4.861 295 HB3 GLU 40 HB1 GLU 40 -10.489 15.698 -4.229 296 HG2 GLU 40 HG2 GLU 40 -9.170 14.857 -2.416 297 HG3 GLU 40 HG1 GLU 40 -7.704 15.567 -3.096 298 H GLY 41 HN GLY 41 -7.765 13.129 -6.926 299 HA2 GLY 41 HA2 GLY 41 -5.750 13.440 -8.054 300 HA3 GLY 41 HA1 GLY 41 -5.502 14.911 -7.121 301 H ASN 42 HN ASN 42 -4.014 14.878 -5.589 302 HA ASN 42 HA ASN 42 -2.634 12.386 -5.043 303 HB2 ASN 42 HB2 ASN 42 -1.037 13.894 -3.801 304 HB3 ASN 42 HB1 ASN 42 -1.219 14.253 -5.515 305 HD21 ASN 42 HD21 ASN 42 -1.844 15.342 -2.279 306 HD22 ASN 42 HD22 ASN 42 -2.323 16.954 -2.694 307 H THR 43 HN THR 43 -4.954 11.956 -3.981 308 HA THR 43 HA THR 43 -4.558 12.255 -1.101 309 HB THR 43 HB THR 43 -7.123 12.572 -0.989 310 HG1 THR 43 HG1 THR 43 -6.688 13.937 -3.418 311 HG21 THR 43 HG21 THR 43 -5.263 14.796 -1.835 312 HG22 THR 43 HG22 THR 43 -5.503 14.206 -0.189 313 HG23 THR 43 HG23 THR 43 -6.821 15.018 -1.037 314 H CYS 44 HN CYS 44 -5.376 10.608 0.124 315 HA CYS 44 HA CYS 44 -6.652 8.423 -1.366 316 HB2 CYS 44 HB2 CYS 44 -4.690 8.180 0.917 317 HB3 CYS 44 HB1 CYS 44 -5.506 6.840 0.119 318 H VAL 45 HN VAL 45 -8.313 7.393 -0.377 319 HA VAL 45 HA VAL 45 -9.265 8.351 2.201 320 HB VAL 45 HB VAL 45 -11.531 8.794 1.233 321 HG11 VAL 45 HG11 VAL 45 -9.989 10.622 1.811 322 HG12 VAL 45 HG12 VAL 45 -11.009 11.032 0.429 323 HG13 VAL 45 HG13 VAL 45 -9.327 10.563 0.174 324 HG21 VAL 45 HG21 VAL 45 -10.054 8.750 -1.404 325 HG22 VAL 45 HG22 VAL 45 -11.736 9.222 -1.163 326 HG23 VAL 45 HG23 VAL 45 -11.238 7.553 -0.874 327 H GLU 46 HN GLU 46 -10.720 7.010 3.189 328 HA GLU 46 HA GLU 46 -10.661 4.291 2.608 329 HB2 GLU 46 HB2 GLU 46 -12.516 5.992 4.252 330 HB3 GLU 46 HB1 GLU 46 -12.724 4.248 4.141 331 HG2 GLU 46 HG2 GLU 46 -10.648 3.839 5.174 332 HG3 GLU 46 HG1 GLU 46 -10.166 5.536 5.048 333 H ASN 47 HN ASN 47 -11.504 3.318 0.835 334 HA ASN 47 HA ASN 47 -13.517 4.635 -0.680 335 HB2 ASN 47 HB2 ASN 47 -13.321 2.482 -2.033 336 HB3 ASN 47 HB1 ASN 47 -11.955 3.541 -2.022 337 HD21 ASN 47 HD21 ASN 47 -10.648 1.983 -2.642 338 HD22 ASN 47 HD22 ASN 47 -10.194 0.691 -1.632 339 H ASN 48 HN ASN 48 -13.375 1.905 1.475 340 HA ASN 48 HA ASN 48 -14.953 0.739 2.586 341 HB2 ASN 48 HB2 ASN 48 -16.814 2.885 1.548 342 HB3 ASN 48 HB1 ASN 48 -17.300 1.627 2.676 343 HD21 ASN 48 HD21 ASN 48 -14.811 1.633 4.165 344 HD22 ASN 48 HD22 ASN 48 -14.815 3.082 5.101 345 H ASN 49 HN ASN 49 -15.109 1.242 -0.753 346 HA ASN 49 HA ASN 49 -16.402 -1.376 -1.082 347 HB2 ASN 49 HB2 ASN 49 -17.951 0.559 -1.631 348 HB3 ASN 49 HB1 ASN 49 -16.841 0.950 -2.938 349 HD21 ASN 49 HD21 ASN 49 -16.914 -0.203 -4.797 350 HD22 ASN 49 HD22 ASN 49 -18.056 -1.460 -5.117 351 HA PRO 50 HA PRO 50 -12.268 -0.740 -3.344 352 HB2 PRO 50 HB2 PRO 50 -10.831 -2.551 -1.916 353 HB3 PRO 50 HB1 PRO 50 -10.911 -0.835 -1.538 354 HG2 PRO 50 HG2 PRO 50 -12.317 -3.111 -0.274 355 HG3 PRO 50 HG1 PRO 50 -11.680 -1.621 0.450 356 HD2 PRO 50 HD2 PRO 50 -14.320 -2.037 -0.102 357 HD3 PRO 50 HD1 PRO 50 -13.562 -0.451 -0.011 358 H THR 51 HN THR 51 -11.745 -1.937 -5.017 359 HA THR 51 HA THR 51 -12.694 -4.726 -5.121 360 HB THR 51 HB THR 51 -14.014 -3.224 -6.577 361 HG1 THR 51 HG1 THR 51 -14.108 -4.751 -8.049 362 HG21 THR 51 HG21 THR 51 -12.337 -1.546 -7.097 363 HG22 THR 51 HG22 THR 51 -12.962 -2.252 -8.589 364 HG23 THR 51 HG23 THR 51 -11.376 -2.741 -7.978 365 H CYS 52 HN CYS 52 -11.290 -6.227 -6.113 366 HA CYS 52 HA CYS 52 -8.539 -5.344 -6.463 367 HB2 CYS 52 HB2 CYS 52 -9.324 -7.584 -5.381 368 HB3 CYS 52 HB1 CYS 52 -9.601 -8.113 -7.035 369 H ASP 53 HN ASP 53 -7.627 -5.082 -8.482 370 HA ASP 53 HA ASP 53 -8.298 -5.531 -11.013 371 HB2 ASP 53 HB2 ASP 53 -10.716 -5.097 -10.402 372 HB3 ASP 53 HB1 ASP 53 -10.270 -3.440 -10.038 373 H ILE 54 HN ILE 54 -8.520 -2.737 -8.859 374 HA ILE 54 HA ILE 54 -7.480 -0.835 -10.618 375 HB ILE 54 HB ILE 54 -7.491 -0.830 -7.603 376 HG12 ILE 54 HG12 ILE 54 -9.483 0.394 -9.515 377 HG13 ILE 54 HG11 ILE 54 -9.701 -1.178 -8.746 378 HG21 ILE 54 HG21 ILE 54 -7.502 1.662 -7.871 379 HG22 ILE 54 HG22 ILE 54 -7.093 1.417 -9.569 380 HG23 ILE 54 HG23 ILE 54 -5.986 0.867 -8.304 381 HD11 ILE 54 HD11 ILE 54 -9.675 -0.103 -6.554 382 HD12 ILE 54 HD12 ILE 54 -10.937 0.566 -7.586 383 HD13 ILE 54 HD13 ILE 54 -9.443 1.465 -7.325 384 H ASN 55 HN ASN 55 -5.795 -1.130 -7.656 385 HA ASN 55 HA ASN 55 -3.343 -1.815 -9.084 386 HB2 ASN 55 HB2 ASN 55 -3.364 0.360 -7.855 387 HB3 ASN 55 HB1 ASN 55 -3.600 -0.537 -6.369 388 HD21 ASN 55 HD21 ASN 55 -1.635 0.138 -5.502 389 HD22 ASN 55 HD22 ASN 55 -0.128 -0.456 -6.101 390 H ASN 56 HN ASN 56 -4.914 -3.839 -8.803 391 HA ASN 56 HA ASN 56 -5.096 -5.954 -7.930 392 HB2 ASN 56 HB2 ASN 56 -2.957 -5.533 -5.875 393 HB3 ASN 56 HB1 ASN 56 -3.265 -6.945 -6.873 394 HD21 ASN 56 HD21 ASN 56 -0.956 -5.116 -6.183 395 HD22 ASN 56 HD22 ASN 56 -0.203 -4.860 -7.702 396 H GLY 57 HN GLY 57 -6.428 -3.582 -6.866 397 HA2 GLY 57 HA2 GLY 57 -8.109 -3.459 -5.227 398 HA3 GLY 57 HA1 GLY 57 -7.269 -4.707 -4.315 399 H GLY 58 HN GLY 58 -4.858 -2.774 -5.137 400 HA2 GLY 58 HA2 GLY 58 -4.272 -0.604 -4.118 401 HA3 GLY 58 HA1 GLY 58 -5.151 -1.149 -2.692 402 H CYS 59 HN CYS 59 -3.380 -3.462 -4.412 403 HA CYS 59 HA CYS 59 -1.449 -3.754 -2.227 404 HB2 CYS 59 HB2 CYS 59 -2.134 -5.836 -4.293 405 HB3 CYS 59 HB1 CYS 59 -1.366 -6.067 -2.727 406 H ASP 60 HN ASP 60 0.429 -5.114 -3.094 407 HA ASP 60 HA ASP 60 1.638 -3.765 -5.396 408 HB2 ASP 60 HB2 ASP 60 2.792 -4.030 -3.157 409 HB3 ASP 60 HB1 ASP 60 2.755 -5.767 -3.409 410 HA PRO 61 HA PRO 61 0.523 -7.094 -8.014 411 HB2 PRO 61 HB2 PRO 61 3.261 -7.000 -9.150 412 HB3 PRO 61 HB1 PRO 61 1.705 -6.790 -9.952 413 HG2 PRO 61 HG2 PRO 61 3.382 -4.741 -9.459 414 HG3 PRO 61 HG1 PRO 61 1.619 -4.558 -9.488 415 HD2 PRO 61 HD2 PRO 61 3.477 -4.594 -7.179 416 HD3 PRO 61 HD1 PRO 61 1.911 -3.792 -7.368 417 H THR 62 HN THR 62 3.340 -7.240 -6.027 418 HA THR 62 HA THR 62 3.624 -10.127 -6.360 419 HB THR 62 HB THR 62 5.597 -9.931 -4.988 420 HG1 THR 62 HG1 THR 62 5.000 -7.160 -4.617 421 HG21 THR 62 HG21 THR 62 5.306 -7.611 -6.900 422 HG22 THR 62 HG22 THR 62 5.883 -9.237 -7.288 423 HG23 THR 62 HG23 THR 62 6.848 -8.182 -6.251 424 H ALA 63 HN ALA 63 2.026 -7.835 -4.448 425 HA ALA 63 HA ALA 63 1.574 -9.575 -2.184 426 HB1 ALA 63 HB1 ALA 63 0.319 -6.923 -2.944 427 HB2 ALA 63 HB2 ALA 63 1.644 -7.173 -1.800 428 HB3 ALA 63 HB3 ALA 63 0.034 -7.793 -1.433 429 H SER 64 HN SER 64 0.533 -11.367 -2.808 430 HA SER 64 HA SER 64 -1.361 -11.748 -4.776 431 HB2 SER 64 HB2 SER 64 -0.203 -13.533 -3.461 432 HB3 SER 64 HB1 SER 64 -1.241 -13.148 -2.087 433 HG SER 64 HG SER 64 -2.671 -13.614 -4.371 434 H CYS 65 HN CYS 65 -3.174 -10.607 -5.052 435 HA CYS 65 HA CYS 65 -4.512 -9.447 -2.752 436 HB2 CYS 65 HB2 CYS 65 -4.324 -7.878 -4.499 437 HB3 CYS 65 HB1 CYS 65 -4.802 -9.063 -5.710 438 H GLN 66 HN GLN 66 -6.360 -9.976 -1.978 439 HA GLN 66 HA GLN 66 -8.089 -11.875 -3.413 440 HB2 GLN 66 HB2 GLN 66 -8.157 -11.723 -0.436 441 HB3 GLN 66 HB1 GLN 66 -8.499 -13.082 -1.486 442 HG2 GLN 66 HG2 GLN 66 -5.736 -12.050 -1.354 443 HG3 GLN 66 HG1 GLN 66 -6.341 -12.989 -0.004 444 HE21 GLN 66 HE21 GLN 66 -8.088 -14.584 -1.717 445 HE22 GLN 66 HE22 GLN 66 -7.054 -15.676 -2.566 446 H ASN 67 HN ASN 67 -10.148 -11.101 -3.686 447 HA ASN 67 HA ASN 67 -10.795 -8.590 -2.355 448 HB2 ASN 67 HB2 ASN 67 -12.918 -8.769 -3.832 449 HB3 ASN 67 HB1 ASN 67 -11.382 -8.351 -4.558 450 HD21 ASN 67 HD21 ASN 67 -12.212 -9.073 -6.590 451 HD22 ASN 67 HD22 ASN 67 -12.302 -10.761 -6.950 452 H ALA 68 HN ALA 68 -12.273 -8.325 -0.898 453 HA ALA 68 HA ALA 68 -13.916 -10.545 -0.005 454 HB1 ALA 68 HB1 ALA 68 -11.869 -11.117 1.047 455 HB2 ALA 68 HB2 ALA 68 -12.907 -10.413 2.289 456 HB3 ALA 68 HB3 ALA 68 -11.605 -9.454 1.573 457 H GLU 69 HN GLU 69 -15.425 -9.921 1.651 458 HA GLU 69 HA GLU 69 -15.737 -7.018 1.878 459 HB2 GLU 69 HB2 GLU 69 -17.856 -9.152 1.819 460 HB3 GLU 69 HB1 GLU 69 -18.174 -7.453 2.133 461 HG2 GLU 69 HG2 GLU 69 -17.473 -6.837 -0.059 462 HG3 GLU 69 HG1 GLU 69 -16.864 -8.459 -0.382 463 H SER 70 HN SER 70 -15.121 -6.384 3.735 464 HA SER 70 HA SER 70 -15.839 -7.882 6.156 465 HB2 SER 70 HB2 SER 70 -13.465 -8.242 5.698 466 HB3 SER 70 HB1 SER 70 -13.204 -6.510 5.520 467 HG SER 70 HG SER 70 -13.480 -8.042 7.822 468 H THR 71 HN THR 71 -15.973 -6.509 8.084 469 HA THR 71 HA THR 71 -17.250 -4.034 7.659 470 HB THR 71 HB THR 71 -17.665 -5.264 9.702 471 HG1 THR 71 HG1 THR 71 -16.713 -2.672 9.740 472 HG21 THR 71 HG21 THR 71 -15.952 -5.464 11.461 473 HG22 THR 71 HG22 THR 71 -14.758 -4.765 10.365 474 HG23 THR 71 HG23 THR 71 -15.495 -6.325 9.990 475 H GLU 72 HN GLU 72 -13.935 -4.955 8.086 476 HA GLU 72 HA GLU 72 -12.978 -2.216 8.222 477 HB2 GLU 72 HB2 GLU 72 -11.595 -4.876 8.048 478 HB3 GLU 72 HB1 GLU 72 -10.735 -3.349 8.053 479 HG2 GLU 72 HG2 GLU 72 -12.591 -4.178 10.249 480 HG3 GLU 72 HG1 GLU 72 -10.868 -4.587 10.231 481 H ASN 73 HN ASN 73 -12.707 -1.045 6.390 482 HA ASN 73 HA ASN 73 -12.814 -2.137 3.785 483 HB2 ASN 73 HB2 ASN 73 -11.586 0.079 3.167 484 HB3 ASN 73 HB1 ASN 73 -13.224 0.156 3.793 485 HD21 ASN 73 HD21 ASN 73 -13.023 2.224 4.588 486 HD22 ASN 73 HD22 ASN 73 -12.031 2.626 5.947 487 H SER 74 HN SER 74 -10.179 -1.514 5.999 488 HA SER 74 HA SER 74 -8.075 -2.033 4.213 489 HB2 SER 74 HB2 SER 74 -7.977 -2.558 7.180 490 HB3 SER 74 HB1 SER 74 -6.678 -2.012 6.115 491 HG SER 74 HG SER 74 -8.163 -0.121 5.768 492 H LYS 75 HN LYS 75 -10.214 -4.151 5.973 493 HA LYS 75 HA LYS 75 -8.522 -6.460 5.407 494 HB2 LYS 75 HB2 LYS 75 -11.159 -6.320 6.882 495 HB3 LYS 75 HB1 LYS 75 -10.159 -7.747 6.709 496 HG2 LYS 75 HG2 LYS 75 -9.426 -5.245 8.191 497 HG3 LYS 75 HG1 LYS 75 -9.923 -6.776 8.909 498 HD2 LYS 75 HD2 LYS 75 -7.661 -7.012 9.079 499 HD3 LYS 75 HD1 LYS 75 -7.891 -7.687 7.468 500 HE2 LYS 75 HE2 LYS 75 -7.326 -5.542 6.472 501 HE3 LYS 75 HE1 LYS 75 -7.142 -4.832 8.078 502 HZ1 LYS 75 HZ1 LYS 75 -5.482 -7.030 6.950 503 HZ2 LYS 75 HZ2 LYS 75 -5.307 -6.361 8.499 504 HZ3 LYS 75 HZ3 LYS 75 -4.998 -5.415 7.128 505 H LYS 76 HN LYS 76 -10.561 -4.702 3.637 506 HA LYS 76 HA LYS 76 -12.197 -6.813 2.584 507 HB2 LYS 76 HB2 LYS 76 -11.728 -4.027 1.583 508 HB3 LYS 76 HB1 LYS 76 -12.832 -5.181 0.848 509 HG2 LYS 76 HG2 LYS 76 -13.974 -5.297 3.107 510 HG3 LYS 76 HG1 LYS 76 -13.019 -3.878 3.534 511 HD2 LYS 76 HD2 LYS 76 -14.057 -3.257 1.057 512 HD3 LYS 76 HD1 LYS 76 -15.367 -4.111 1.860 513 HE2 LYS 76 HE2 LYS 76 -13.929 -1.645 2.807 514 HE3 LYS 76 HE1 LYS 76 -15.597 -1.773 2.260 515 HZ1 LYS 76 HZ1 LYS 76 -15.255 -1.682 4.729 516 HZ2 LYS 76 HZ2 LYS 76 -14.621 -3.249 4.629 517 HZ3 LYS 76 HZ3 LYS 76 -16.222 -2.951 4.165 518 H ILE 77 HN ILE 77 -9.325 -5.035 1.635 519 HA ILE 77 HA ILE 77 -8.946 -6.946 -0.555 520 HB ILE 77 HB ILE 77 -7.534 -4.315 -0.100 521 HG12 ILE 77 HG12 ILE 77 -9.855 -3.956 -0.750 522 HG13 ILE 77 HG11 ILE 77 -8.793 -3.561 -2.100 523 HG21 ILE 77 HG21 ILE 77 -7.392 -6.275 -2.381 524 HG22 ILE 77 HG22 ILE 77 -6.099 -5.876 -1.248 525 HG23 ILE 77 HG23 ILE 77 -6.675 -4.662 -2.393 526 HD11 ILE 77 HD11 ILE 77 -10.820 -4.804 -2.746 527 HD12 ILE 77 HD12 ILE 77 -10.244 -6.175 -1.787 528 HD13 ILE 77 HD13 ILE 77 -9.319 -5.622 -3.187 529 H ILE 78 HN ILE 78 -7.708 -8.538 -0.132 530 HA ILE 78 HA ILE 78 -5.835 -8.400 2.101 531 HB ILE 78 HB ILE 78 -6.718 -10.780 0.455 532 HG12 ILE 78 HG12 ILE 78 -7.829 -11.421 2.682 533 HG13 ILE 78 HG11 ILE 78 -7.605 -9.739 3.146 534 HG21 ILE 78 HG21 ILE 78 -4.513 -11.129 1.334 535 HG22 ILE 78 HG22 ILE 78 -5.665 -12.114 2.237 536 HG23 ILE 78 HG23 ILE 78 -5.035 -10.625 2.941 537 HD11 ILE 78 HD11 ILE 78 -9.013 -9.000 1.348 538 HD12 ILE 78 HD12 ILE 78 -9.865 -10.248 2.266 539 HD13 ILE 78 HD13 ILE 78 -9.124 -10.642 0.712 540 H CYS 79 HN CYS 79 -3.813 -7.887 1.696 541 HA CYS 79 HA CYS 79 -2.691 -8.523 -0.944 542 HB2 CYS 79 HB2 CYS 79 -1.788 -6.327 0.922 543 HB3 CYS 79 HB1 CYS 79 -1.350 -6.547 -0.767 544 H THR 80 HN THR 80 -1.342 -10.151 -0.840 545 HA THR 80 HA THR 80 0.116 -10.673 1.661 546 HB THR 80 HB THR 80 -0.731 -12.615 -0.492 547 HG1 THR 80 HG1 THR 80 -1.831 -11.813 1.972 548 HG21 THR 80 HG21 THR 80 0.011 -14.340 1.113 549 HG22 THR 80 HG22 THR 80 0.638 -13.065 2.163 550 HG23 THR 80 HG23 THR 80 1.335 -13.314 0.560 551 H CYS 81 HN CYS 81 2.176 -10.003 1.458 552 HA CYS 81 HA CYS 81 3.452 -9.951 -1.143 553 HB2 CYS 81 HB2 CYS 81 4.800 -9.341 1.484 554 HB3 CYS 81 HB1 CYS 81 5.181 -8.713 -0.112 555 H LYS 82 HN LYS 82 5.268 -11.205 -1.708 556 HA LYS 82 HA LYS 82 4.854 -13.900 -0.821 557 HB2 LYS 82 HB2 LYS 82 6.718 -12.832 -2.937 558 HB3 LYS 82 HB1 LYS 82 6.265 -14.515 -2.715 559 HG2 LYS 82 HG2 LYS 82 4.333 -12.305 -3.370 560 HG3 LYS 82 HG1 LYS 82 5.074 -13.375 -4.559 561 HD2 LYS 82 HD2 LYS 82 4.014 -15.294 -3.551 562 HD3 LYS 82 HD1 LYS 82 3.384 -14.299 -2.239 563 HE2 LYS 82 HE2 LYS 82 1.898 -13.174 -3.663 564 HE3 LYS 82 HE1 LYS 82 2.717 -13.754 -5.115 565 HZ1 LYS 82 HZ1 LYS 82 1.968 -16.009 -4.545 566 HZ2 LYS 82 HZ2 LYS 82 0.667 -14.950 -4.782 567 HZ3 LYS 82 HZ3 LYS 82 1.125 -15.395 -3.206 568 H GLU 83 HN GLU 83 6.996 -15.299 -1.080 569 HA GLU 83 HA GLU 83 8.345 -15.329 1.265 570 HB2 GLU 83 HB2 GLU 83 9.422 -16.230 -1.400 571 HB3 GLU 83 HB1 GLU 83 10.019 -16.749 0.168 572 HG2 GLU 83 HG2 GLU 83 7.866 -17.754 0.653 573 HG3 GLU 83 HG1 GLU 83 7.251 -17.218 -0.906 574 HA PRO 84 HA PRO 84 12.201 -13.026 -0.422 575 HB2 PRO 84 HB2 PRO 84 12.040 -11.460 -2.590 576 HB3 PRO 84 HB1 PRO 84 12.311 -13.199 -2.717 577 HG2 PRO 84 HG2 PRO 84 9.787 -11.649 -3.095 578 HG3 PRO 84 HG1 PRO 84 10.419 -13.007 -4.043 579 HD2 PRO 84 HD2 PRO 84 8.483 -13.251 -2.119 580 HD3 PRO 84 HD1 PRO 84 9.579 -14.556 -2.585 581 H THR 85 HN THR 85 9.279 -11.929 0.277 582 HA THR 85 HA THR 85 10.221 -9.213 0.863 583 HB THR 85 HB THR 85 8.069 -8.341 0.491 584 HG1 THR 85 HG1 THR 85 7.174 -11.018 0.772 585 HG21 THR 85 HG21 THR 85 8.995 -8.877 -1.632 586 HG22 THR 85 HG22 THR 85 7.289 -9.322 -1.691 587 HG23 THR 85 HG23 THR 85 8.523 -10.574 -1.486 588 HA PRO 86 HA PRO 86 9.612 -11.357 4.935 589 HB2 PRO 86 HB2 PRO 86 11.814 -9.504 5.625 590 HB3 PRO 86 HB1 PRO 86 11.678 -11.238 5.933 591 HG2 PRO 86 HG2 PRO 86 13.360 -10.316 4.098 592 HG3 PRO 86 HG1 PRO 86 12.414 -11.788 3.790 593 HD2 PRO 86 HD2 PRO 86 11.911 -8.976 2.843 594 HD3 PRO 86 HD1 PRO 86 11.854 -10.500 1.929 595 H ASN 87 HN ASN 87 9.199 -8.390 3.579 596 HA ASN 87 HA ASN 87 7.886 -7.236 5.896 597 HB2 ASN 87 HB2 ASN 87 9.783 -5.602 4.244 598 HB3 ASN 87 HB1 ASN 87 9.065 -5.200 5.784 599 HD21 ASN 87 HD21 ASN 87 11.539 -6.809 4.135 600 HD22 ASN 87 HD22 ASN 87 12.486 -7.316 5.488 601 H ALA 88 HN ALA 88 6.997 -4.966 5.033 602 HA ALA 88 HA ALA 88 6.214 -5.132 2.226 603 HB1 ALA 88 HB1 ALA 88 4.211 -4.977 4.479 604 HB2 ALA 88 HB2 ALA 88 4.450 -6.345 3.392 605 HB3 ALA 88 HB3 ALA 88 3.842 -4.815 2.762 606 H TYR 89 HN TYR 89 5.618 -3.118 1.361 607 HA TYR 89 HA TYR 89 6.438 -0.787 2.849 608 HB2 TYR 89 HB2 TYR 89 4.905 -0.825 0.236 609 HB3 TYR 89 HB1 TYR 89 5.910 0.470 0.842 610 HD1 TYR 89 HD1 TYR 89 8.106 -1.931 1.561 611 HD2 TYR 89 HD2 TYR 89 6.098 -0.424 -1.867 612 HE1 TYR 89 HE1 TYR 89 9.945 -2.701 0.131 613 HE2 TYR 89 HE2 TYR 89 7.919 -1.195 -3.299 614 HH TYR 89 HH TYR 89 10.113 -1.828 -3.270 615 H TYR 90 HN TYR 90 5.149 -0.229 4.477 616 HA TYR 90 HA TYR 90 3.365 0.073 5.818 617 HB2 TYR 90 HB2 TYR 90 2.566 1.274 3.492 618 HB3 TYR 90 HB1 TYR 90 1.260 0.127 3.779 619 HD1 TYR 90 HD1 TYR 90 1.894 3.397 4.199 620 HD2 TYR 90 HD2 TYR 90 0.902 0.038 6.611 621 HE1 TYR 90 HE1 TYR 90 0.974 4.895 5.895 622 HE2 TYR 90 HE2 TYR 90 -0.040 1.538 8.316 623 HH TYR 90 HH TYR 90 -0.667 4.825 7.733 624 H GLU 91 HN GLU 91 0.788 -1.130 4.087 625 HA GLU 91 HA GLU 91 0.780 -3.429 5.894 626 HB2 GLU 91 HB2 GLU 91 -1.544 -2.597 4.194 627 HB3 GLU 91 HB1 GLU 91 -1.551 -3.428 5.740 628 HG2 GLU 91 HG2 GLU 91 -0.622 -1.268 6.717 629 HG3 GLU 91 HG1 GLU 91 -1.072 -0.526 5.179 630 H GLY 92 HN GLY 92 1.750 -3.003 2.794 631 HA2 GLY 92 HA2 GLY 92 2.148 -5.036 1.432 632 HA3 GLY 92 HA1 GLY 92 0.505 -5.527 1.850 633 H VAL 93 HN VAL 93 0.473 -2.285 1.559 634 HA VAL 93 HA VAL 93 -0.936 -2.070 -0.822 635 HB VAL 93 HB VAL 93 0.832 0.086 0.381 636 HG11 VAL 93 HG11 VAL 93 -0.905 1.595 -0.474 637 HG12 VAL 93 HG12 VAL 93 -1.692 0.209 -1.229 638 HG13 VAL 93 HG13 VAL 93 -0.071 0.691 -1.739 639 HG21 VAL 93 HG21 VAL 93 -1.105 0.738 1.758 640 HG22 VAL 93 HG22 VAL 93 -0.481 -0.859 2.181 641 HG23 VAL 93 HG23 VAL 93 -1.953 -0.713 1.221 642 H PHE 94 HN PHE 94 2.444 -1.991 -0.071 643 HA PHE 94 HA PHE 94 3.056 -2.847 -2.730 644 HB2 PHE 94 HB2 PHE 94 5.176 -1.147 -2.401 645 HB3 PHE 94 HB1 PHE 94 3.822 -0.865 -3.469 646 HD1 PHE 94 HD1 PHE 94 2.515 -0.290 -0.235 647 HD2 PHE 94 HD2 PHE 94 5.191 1.375 -3.085 648 HE1 PHE 94 HE1 PHE 94 2.199 1.912 0.774 649 HE2 PHE 94 HE2 PHE 94 4.872 3.588 -2.073 650 HZ PHE 94 HZ PHE 94 3.377 3.861 -0.144 651 H CYS 95 HN CYS 95 5.231 -3.918 -2.760 652 HA CYS 95 HA CYS 95 6.446 -4.337 -0.129 653 HB2 CYS 95 HB2 CYS 95 5.871 -6.873 -1.587 654 HB3 CYS 95 HB1 CYS 95 6.003 -6.570 0.147 655 H SER 96 HN SER 96 8.576 -5.352 -0.239 656 HA SER 96 HA SER 96 9.794 -5.039 -2.902 657 HB2 SER 96 HB2 SER 96 10.717 -3.700 -0.964 658 HB3 SER 96 HB1 SER 96 11.241 -5.222 -0.246 659 HG SER 96 HG SER 96 12.026 -4.208 -2.785 660 H SER 97 HN SER 97 10.298 -6.809 -3.974 661 HA SER 97 HA SER 97 10.447 -9.340 -2.516 662 HB2 SER 97 HB2 SER 97 10.155 -8.747 -5.468 663 HB3 SER 97 HB1 SER 97 10.270 -10.357 -4.771 664 HG SER 97 HG SER 97 8.188 -8.481 -4.589 665 H SER 98 HN SER 98 12.565 -7.437 -2.463 666 HA SER 98 HA SER 98 14.617 -8.685 -4.134 667 HB2 SER 98 HB2 SER 98 14.636 -5.946 -2.854 668 HB3 SER 98 HB1 SER 98 15.828 -6.582 -3.991 669 HG SER 98 HG SER 98 14.422 -5.390 -5.203 670 H SER 99 HN SER 99 13.554 -9.106 -1.132 671 HA SER 99 HA SER 99 16.190 -9.011 0.107 672 HB2 SER 99 HB2 SER 99 14.375 -8.061 1.431 673 HB3 SER 99 HB1 SER 99 13.539 -9.602 1.419 674 HG SER 99 HG SER 99 16.135 -9.189 2.478 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 16.883 -1.164 -2.814 2 H2 GLY 1 HT2 GLY 1 17.066 -1.975 -4.282 3 H3 GLY 1 HT3 GLY 1 17.943 -2.481 -2.926 4 HA2 GLY 1 HA2 GLY 1 16.035 -3.932 -3.444 5 HA3 GLY 1 HA1 GLY 1 14.983 -2.554 -3.156 6 H VAL 2 HN VAL 2 16.738 -5.103 -1.807 7 HA VAL 2 HA VAL 2 17.044 -6.004 0.213 8 HB VAL 2 HB VAL 2 17.928 -3.525 0.659 9 HG11 VAL 2 HG11 VAL 2 15.605 -3.838 2.559 10 HG12 VAL 2 HG12 VAL 2 15.811 -2.596 1.323 11 HG13 VAL 2 HG13 VAL 2 16.892 -2.636 2.717 12 HG21 VAL 2 HG21 VAL 2 18.763 -5.632 1.618 13 HG22 VAL 2 HG22 VAL 2 17.495 -5.559 2.842 14 HG23 VAL 2 HG23 VAL 2 18.744 -4.314 2.790 15 H ASP 3 HN ASP 3 15.955 -6.351 2.397 16 HA ASP 3 HA ASP 3 13.329 -7.139 2.077 17 HB2 ASP 3 HB2 ASP 3 13.272 -7.416 4.508 18 HB3 ASP 3 HB1 ASP 3 14.772 -8.011 3.823 19 HA PRO 4 HA PRO 4 11.188 -3.422 1.433 20 HB2 PRO 4 HB2 PRO 4 8.787 -4.475 2.523 21 HB3 PRO 4 HB1 PRO 4 9.260 -4.331 0.835 22 HG2 PRO 4 HG2 PRO 4 9.402 -6.642 2.651 23 HG3 PRO 4 HG1 PRO 4 9.257 -6.607 0.888 24 HD2 PRO 4 HD2 PRO 4 11.503 -7.331 2.131 25 HD3 PRO 4 HD1 PRO 4 11.528 -6.445 0.602 26 H LYS 5 HN LYS 5 11.571 -4.490 4.757 27 HA LYS 5 HA LYS 5 9.660 -2.600 5.783 28 HB2 LYS 5 HB2 LYS 5 10.593 -3.170 8.031 29 HB3 LYS 5 HB1 LYS 5 9.895 -4.496 7.134 30 HG2 LYS 5 HG2 LYS 5 11.830 -5.336 8.168 31 HG3 LYS 5 HG1 LYS 5 12.251 -5.120 6.471 32 HD2 LYS 5 HD2 LYS 5 14.042 -4.378 7.980 33 HD3 LYS 5 HD1 LYS 5 13.414 -3.060 6.994 34 HE2 LYS 5 HE2 LYS 5 13.805 -2.374 9.319 35 HE3 LYS 5 HE1 LYS 5 12.114 -2.235 8.856 36 HZ1 LYS 5 HZ1 LYS 5 12.367 -3.167 11.061 37 HZ2 LYS 5 HZ2 LYS 5 13.289 -4.451 10.451 38 HZ3 LYS 5 HZ3 LYS 5 11.653 -4.298 10.020 39 H HIS 6 HN HIS 6 12.270 -1.747 4.315 40 HA HIS 6 HA HIS 6 13.599 -0.111 6.243 41 HB2 HIS 6 HB2 HIS 6 14.582 0.966 4.096 42 HB3 HIS 6 HB1 HIS 6 15.014 -0.696 4.494 43 HD1 HIS 6 HD1 HIS 6 13.690 -2.572 3.116 44 HD2 HIS 6 HD2 HIS 6 13.423 1.318 1.708 45 HE1 HIS 6 HE1 HIS 6 12.682 -2.765 0.832 46 HE2 HIS 6 HE2 HIS 6 12.454 -0.392 0.012 47 H VAL 7 HN VAL 7 10.641 0.150 5.497 48 HA VAL 7 HA VAL 7 9.033 1.711 5.374 49 HB VAL 7 HB VAL 7 9.168 3.427 7.085 50 HG11 VAL 7 HG11 VAL 7 9.670 1.926 9.001 51 HG12 VAL 7 HG12 VAL 7 10.339 0.759 7.857 52 HG13 VAL 7 HG13 VAL 7 8.633 1.196 7.775 53 HG21 VAL 7 HG21 VAL 7 11.183 3.732 8.445 54 HG22 VAL 7 HG22 VAL 7 11.468 4.200 6.768 55 HG23 VAL 7 HG23 VAL 7 12.074 2.656 7.370 56 H CYS 8 HN CYS 8 9.676 4.663 5.882 57 HA CYS 8 HA CYS 8 10.628 5.500 3.280 58 HB2 CYS 8 HB2 CYS 8 8.494 4.812 2.617 59 HB3 CYS 8 HB1 CYS 8 7.743 5.426 4.064 60 H VAL 9 HN VAL 9 10.871 7.659 3.063 61 HA VAL 9 HA VAL 9 9.529 9.491 4.879 62 HB VAL 9 HB VAL 9 11.739 10.888 4.708 63 HG11 VAL 9 HG11 VAL 9 12.594 9.903 6.789 64 HG12 VAL 9 HG12 VAL 9 11.588 8.477 6.523 65 HG13 VAL 9 HG13 VAL 9 10.835 10.044 6.825 66 HG21 VAL 9 HG21 VAL 9 12.691 8.068 4.229 67 HG22 VAL 9 HG22 VAL 9 13.753 9.414 4.673 68 HG23 VAL 9 HG23 VAL 9 12.864 9.451 3.144 69 H ASP 10 HN ASP 10 8.224 10.238 3.317 70 HA ASP 10 HA ASP 10 9.418 11.134 0.808 71 HB2 ASP 10 HB2 ASP 10 8.428 9.031 0.311 72 HB3 ASP 10 HB1 ASP 10 6.981 9.415 1.214 73 H THR 11 HN THR 11 7.997 12.669 -0.360 74 HA THR 11 HA THR 11 6.738 14.612 -0.405 75 HB THR 11 HB THR 11 5.071 12.199 0.086 76 HG1 THR 11 HG1 THR 11 5.718 11.985 -1.894 77 HG21 THR 11 HG21 THR 11 3.129 13.468 -0.824 78 HG22 THR 11 HG22 THR 11 4.059 14.953 -0.597 79 HG23 THR 11 HG23 THR 11 3.626 13.956 0.798 80 H ARG 12 HN ARG 12 6.348 16.300 0.762 81 HA ARG 12 HA ARG 12 6.505 16.286 3.565 82 HB2 ARG 12 HB2 ARG 12 5.301 18.595 2.159 83 HB3 ARG 12 HB1 ARG 12 6.505 18.576 3.433 84 HG2 ARG 12 HG2 ARG 12 6.934 17.955 0.520 85 HG3 ARG 12 HG1 ARG 12 7.509 19.355 1.410 86 HD2 ARG 12 HD2 ARG 12 9.118 18.126 2.560 87 HD3 ARG 12 HD1 ARG 12 8.291 16.596 2.265 88 HE ARG 12 HE ARG 12 9.343 17.974 -0.076 89 HH11 ARG 12 HH11 ARG 12 9.842 15.517 2.367 90 HH12 ARG 12 HH12 ARG 12 10.934 14.578 1.396 91 HH21 ARG 12 HH21 ARG 12 10.819 16.767 -1.351 92 HH22 ARG 12 HH22 ARG 12 11.507 15.304 -0.709 93 H ASP 13 HN ASP 13 3.803 16.375 1.355 94 HA ASP 13 HA ASP 13 2.012 16.027 3.672 95 HB2 ASP 13 HB2 ASP 13 1.731 18.293 2.717 96 HB3 ASP 13 HB1 ASP 13 1.350 17.577 1.157 97 H ILE 14 HN ILE 14 2.281 13.774 3.304 98 HA ILE 14 HA ILE 14 1.142 12.598 0.919 99 HB ILE 14 HB ILE 14 2.038 11.378 3.540 100 HG12 ILE 14 HG12 ILE 14 3.386 10.687 1.029 101 HG13 ILE 14 HG11 ILE 14 3.543 12.377 1.495 102 HG21 ILE 14 HG21 ILE 14 1.039 10.034 1.035 103 HG22 ILE 14 HG22 ILE 14 0.349 9.925 2.656 104 HG23 ILE 14 HG23 ILE 14 1.927 9.201 2.313 105 HD11 ILE 14 HD11 ILE 14 5.381 11.057 2.318 106 HD12 ILE 14 HD12 ILE 14 4.258 10.004 3.187 107 HD13 ILE 14 HD13 ILE 14 4.423 11.703 3.648 108 HA PRO 15 HA PRO 15 -3.076 12.879 2.108 109 HB2 PRO 15 HB2 PRO 15 -3.276 10.177 0.885 110 HB3 PRO 15 HB1 PRO 15 -4.206 11.635 0.561 111 HG2 PRO 15 HG2 PRO 15 -2.368 10.893 -1.160 112 HG3 PRO 15 HG1 PRO 15 -2.511 12.600 -0.712 113 HD2 PRO 15 HD2 PRO 15 -0.583 10.540 0.254 114 HD3 PRO 15 HD1 PRO 15 -0.259 12.202 -0.248 115 H LYS 16 HN LYS 16 -4.573 12.020 3.564 116 HA LYS 16 HA LYS 16 -3.369 10.921 5.841 117 HB2 LYS 16 HB2 LYS 16 -5.154 12.517 6.030 118 HB3 LYS 16 HB1 LYS 16 -6.245 11.462 5.139 119 HG2 LYS 16 HG2 LYS 16 -5.097 10.313 7.581 120 HG3 LYS 16 HG1 LYS 16 -6.184 11.683 7.823 121 HD2 LYS 16 HD2 LYS 16 -7.897 10.534 6.489 122 HD3 LYS 16 HD1 LYS 16 -6.807 9.165 6.279 123 HE2 LYS 16 HE2 LYS 16 -6.814 8.785 8.690 124 HE3 LYS 16 HE1 LYS 16 -7.882 10.170 8.913 125 HZ1 LYS 16 HZ1 LYS 16 -8.537 7.691 7.413 126 HZ2 LYS 16 HZ2 LYS 16 -9.555 9.034 7.564 127 HZ3 LYS 16 HZ3 LYS 16 -9.142 8.124 8.935 128 H ASN 17 HN ASN 17 -5.434 9.576 3.416 129 HA ASN 17 HA ASN 17 -5.471 6.984 4.782 130 HB2 ASN 17 HB2 ASN 17 -6.943 7.829 2.274 131 HB3 ASN 17 HB1 ASN 17 -7.275 6.421 3.279 132 HD21 ASN 17 HD21 ASN 17 -7.202 9.904 3.246 133 HD22 ASN 17 HD22 ASN 17 -8.441 10.152 4.435 134 H ALA 18 HN ALA 18 -3.212 8.232 3.554 135 HA ALA 18 HA ALA 18 -2.539 6.239 1.506 136 HB1 ALA 18 HB1 ALA 18 -2.869 8.364 0.400 137 HB2 ALA 18 HB2 ALA 18 -1.154 7.950 0.402 138 HB3 ALA 18 HB3 ALA 18 -1.776 9.158 1.535 139 H GLY 19 HN GLY 19 -0.396 5.612 1.455 140 HA2 GLY 19 HA2 GLY 19 1.260 6.486 3.732 141 HA3 GLY 19 HA1 GLY 19 1.122 4.786 3.290 142 H CYS 20 HN CYS 20 3.507 6.347 3.405 143 HA CYS 20 HA CYS 20 4.159 6.705 0.571 144 HB2 CYS 20 HB2 CYS 20 5.676 8.360 1.156 145 HB3 CYS 20 HB1 CYS 20 4.386 8.617 2.317 146 H PHE 21 HN PHE 21 6.039 5.834 -0.239 147 HA PHE 21 HA PHE 21 7.598 4.169 1.597 148 HB2 PHE 21 HB2 PHE 21 6.363 2.610 0.351 149 HB3 PHE 21 HB1 PHE 21 6.711 3.430 -1.162 150 HD1 PHE 21 HD1 PHE 21 8.519 2.097 1.674 151 HD2 PHE 21 HD2 PHE 21 8.341 2.402 -2.509 152 HE1 PHE 21 HE1 PHE 21 10.500 0.669 1.511 153 HE2 PHE 21 HE2 PHE 21 10.334 0.982 -2.706 154 HZ PHE 21 HZ PHE 21 11.416 0.106 -0.651 155 H ARG 22 HN ARG 22 9.712 4.239 1.427 156 HA ARG 22 HA ARG 22 10.940 5.516 -0.881 157 HB2 ARG 22 HB2 ARG 22 10.805 7.355 0.641 158 HB3 ARG 22 HB1 ARG 22 11.359 6.373 1.979 159 HG2 ARG 22 HG2 ARG 22 13.290 6.323 -0.142 160 HG3 ARG 22 HG1 ARG 22 12.909 7.986 0.310 161 HD2 ARG 22 HD2 ARG 22 14.012 7.792 2.235 162 HD3 ARG 22 HD1 ARG 22 13.162 6.308 2.625 163 HE ARG 22 HE ARG 22 14.897 5.356 0.908 164 HH11 ARG 22 HH11 ARG 22 15.446 7.732 3.418 165 HH12 ARG 22 HH12 ARG 22 17.079 7.228 3.727 166 HH21 ARG 22 HH21 ARG 22 17.031 4.672 1.308 167 HH22 ARG 22 HH22 ARG 22 17.981 5.458 2.531 168 H ASP 23 HN ASP 23 12.227 3.964 -1.623 169 HA ASP 23 HA ASP 23 12.790 1.796 0.138 170 HB2 ASP 23 HB2 ASP 23 13.681 0.604 -1.767 171 HB3 ASP 23 HB1 ASP 23 12.125 1.334 -2.143 172 H ASP 24 HN ASP 24 15.196 0.768 -0.526 173 HA ASP 24 HA ASP 24 16.944 2.371 1.046 174 HB2 ASP 24 HB2 ASP 24 16.948 -0.121 1.043 175 HB3 ASP 24 HB1 ASP 24 17.613 -0.074 -0.582 176 H ASP 25 HN ASP 25 16.280 2.128 -2.289 177 HA ASP 25 HA ASP 25 18.796 3.096 -3.256 178 HB2 ASP 25 HB2 ASP 25 16.089 2.924 -4.604 179 HB3 ASP 25 HB1 ASP 25 17.620 3.223 -5.408 180 H GLY 26 HN GLY 26 15.793 4.454 -2.171 181 HA2 GLY 26 HA2 GLY 26 15.818 6.794 -1.450 182 HA3 GLY 26 HA1 GLY 26 16.777 7.151 -2.883 183 H THR 27 HN THR 27 14.499 4.840 -3.584 184 HA THR 27 HA THR 27 12.942 6.572 -5.241 185 HB THR 27 HB THR 27 12.339 3.742 -4.380 186 HG1 THR 27 HG1 THR 27 14.102 3.252 -5.400 187 HG21 THR 27 HG21 THR 27 11.220 3.583 -6.564 188 HG22 THR 27 HG22 THR 27 11.575 5.286 -6.861 189 HG23 THR 27 HG23 THR 27 10.497 4.825 -5.542 190 H GLU 28 HN GLU 28 11.307 7.823 -4.555 191 HA GLU 28 HA GLU 28 9.845 7.005 -2.127 192 HB2 GLU 28 HB2 GLU 28 10.584 9.737 -3.166 193 HB3 GLU 28 HB1 GLU 28 9.345 9.505 -1.942 194 HG2 GLU 28 HG2 GLU 28 10.867 8.816 -0.338 195 HG3 GLU 28 HG1 GLU 28 12.082 8.370 -1.533 196 H GLU 29 HN GLU 29 7.812 6.516 -2.338 197 HA GLU 29 HA GLU 29 6.128 7.880 -4.297 198 HB2 GLU 29 HB2 GLU 29 6.762 6.066 -5.664 199 HB3 GLU 29 HB1 GLU 29 6.738 4.936 -4.322 200 HG2 GLU 29 HG2 GLU 29 4.272 5.188 -4.224 201 HG3 GLU 29 HG1 GLU 29 4.354 6.179 -5.679 202 H TRP 30 HN TRP 30 4.173 8.280 -3.343 203 HA TRP 30 HA TRP 30 3.475 6.541 -1.104 204 HB2 TRP 30 HB2 TRP 30 1.903 8.229 -0.360 205 HB3 TRP 30 HB1 TRP 30 3.507 8.919 -0.537 206 HD1 TRP 30 HD TRP 30 3.696 11.046 -1.944 207 HE1 TRP 30 HE1 TRP 30 2.062 12.433 -3.375 208 HE3 TRP 30 HE3 TRP 30 -0.217 7.782 -2.050 209 HZ2 TRP 30 HZ2 TRP 30 -0.562 12.164 -4.398 210 HZ3 TRP 30 HZ3 TRP 30 -2.263 8.431 -3.274 211 HH2 TRP 30 HH TRP 30 -2.418 10.578 -4.429 212 H ARG 31 HN ARG 31 1.387 5.750 -0.896 213 HA ARG 31 HA ARG 31 -0.182 5.501 -3.362 214 HB2 ARG 31 HB2 ARG 31 0.726 3.178 -1.660 215 HB3 ARG 31 HB1 ARG 31 -0.456 3.068 -2.952 216 HG2 ARG 31 HG2 ARG 31 1.374 3.904 -4.497 217 HG3 ARG 31 HG1 ARG 31 2.478 3.609 -3.154 218 HD2 ARG 31 HD2 ARG 31 1.628 1.256 -3.071 219 HD3 ARG 31 HD1 ARG 31 0.742 1.586 -4.561 220 HE ARG 31 HE ARG 31 3.505 2.257 -4.806 221 HH11 ARG 31 HH11 ARG 31 1.409 -0.563 -4.664 222 HH12 ARG 31 HH12 ARG 31 2.402 -1.488 -5.742 223 HH21 ARG 31 HH21 ARG 31 4.742 1.074 -6.261 224 HH22 ARG 31 HH22 ARG 31 4.300 -0.562 -6.659 225 H CYS 32 HN CYS 32 -2.149 3.929 -2.593 226 HA CYS 32 HA CYS 32 -3.286 5.395 -0.299 227 HB2 CYS 32 HB2 CYS 32 -4.743 3.998 -2.570 228 HB3 CYS 32 HB1 CYS 32 -5.481 4.977 -1.309 229 H LEU 33 HN LEU 33 -3.962 4.257 1.394 230 HA LEU 33 HA LEU 33 -2.818 1.742 1.776 231 HB2 LEU 33 HB2 LEU 33 -5.026 2.953 3.401 232 HB3 LEU 33 HB1 LEU 33 -3.911 1.721 3.930 233 HG LEU 33 HG LEU 33 -3.514 4.663 3.621 234 HD11 LEU 33 HD11 LEU 33 -2.710 2.664 5.722 235 HD12 LEU 33 HD12 LEU 33 -4.107 3.741 5.787 236 HD13 LEU 33 HD13 LEU 33 -2.476 4.412 5.809 237 HD21 LEU 33 HD21 LEU 33 -1.724 3.488 2.288 238 HD22 LEU 33 HD22 LEU 33 -1.173 2.785 3.814 239 HD23 LEU 33 HD23 LEU 33 -1.178 4.542 3.592 240 H LEU 34 HN LEU 34 -4.105 -0.138 2.655 241 HA LEU 34 HA LEU 34 -5.391 -1.151 0.397 242 HB2 LEU 34 HB2 LEU 34 -5.115 -2.350 3.144 243 HB3 LEU 34 HB1 LEU 34 -5.454 -3.221 1.654 244 HG LEU 34 HG LEU 34 -2.926 -1.709 2.291 245 HD11 LEU 34 HD11 LEU 34 -3.461 -4.656 2.000 246 HD12 LEU 34 HD12 LEU 34 -3.064 -3.794 3.491 247 HD13 LEU 34 HD13 LEU 34 -1.873 -3.912 2.196 248 HD21 LEU 34 HD21 LEU 34 -3.499 -1.503 -0.051 249 HD22 LEU 34 HD22 LEU 34 -3.708 -3.249 -0.177 250 HD23 LEU 34 HD23 LEU 34 -2.112 -2.573 0.154 251 H GLY 35 HN GLY 35 -7.421 -1.344 -0.130 252 HA2 GLY 35 HA2 GLY 35 -9.730 -1.548 0.161 253 HA3 GLY 35 HA1 GLY 35 -9.523 -1.200 1.874 254 H TYR 36 HN TYR 36 -7.751 0.981 0.141 255 HA TYR 36 HA TYR 36 -9.867 2.999 0.412 256 HB2 TYR 36 HB2 TYR 36 -6.861 3.326 0.359 257 HB3 TYR 36 HB1 TYR 36 -8.022 4.640 0.506 258 HD1 TYR 36 HD1 TYR 36 -6.348 4.957 2.509 259 HD2 TYR 36 HD2 TYR 36 -9.284 1.897 2.326 260 HE1 TYR 36 HE1 TYR 36 -6.263 4.728 4.956 261 HE2 TYR 36 HE2 TYR 36 -9.211 1.663 4.768 262 HH TYR 36 HH TYR 36 -7.640 3.926 6.784 263 H LYS 37 HN LYS 37 -8.986 5.001 -1.125 264 HA LYS 37 HA LYS 37 -8.441 3.990 -3.796 265 HB2 LYS 37 HB2 LYS 37 -10.459 5.033 -4.714 266 HB3 LYS 37 HB1 LYS 37 -10.862 3.758 -3.588 267 HG2 LYS 37 HG2 LYS 37 -11.250 5.481 -1.861 268 HG3 LYS 37 HG1 LYS 37 -10.948 6.719 -3.082 269 HD2 LYS 37 HD2 LYS 37 -12.809 5.812 -4.415 270 HD3 LYS 37 HD1 LYS 37 -13.119 4.635 -3.142 271 HE2 LYS 37 HE2 LYS 37 -13.648 6.371 -1.576 272 HE3 LYS 37 HE1 LYS 37 -13.172 7.615 -2.730 273 HZ1 LYS 37 HZ1 LYS 37 -15.345 5.713 -3.366 274 HZ2 LYS 37 HZ2 LYS 37 -15.038 7.246 -4.029 275 HZ3 LYS 37 HZ3 LYS 37 -15.645 7.109 -2.449 276 H LYS 38 HN LYS 38 -8.470 5.893 -5.357 277 HA LYS 38 HA LYS 38 -7.113 8.154 -4.096 278 HB2 LYS 38 HB2 LYS 38 -6.212 6.875 -6.155 279 HB3 LYS 38 HB1 LYS 38 -7.458 7.720 -7.058 280 HG2 LYS 38 HG2 LYS 38 -5.503 8.982 -7.336 281 HG3 LYS 38 HG1 LYS 38 -6.472 9.866 -6.157 282 HD2 LYS 38 HD2 LYS 38 -4.430 9.913 -5.123 283 HD3 LYS 38 HD1 LYS 38 -5.097 8.420 -4.441 284 HE2 LYS 38 HE2 LYS 38 -3.373 8.486 -6.910 285 HE3 LYS 38 HE1 LYS 38 -2.714 8.304 -5.286 286 HZ1 LYS 38 HZ1 LYS 38 -2.987 6.158 -6.290 287 HZ2 LYS 38 HZ2 LYS 38 -4.614 6.462 -6.645 288 HZ3 LYS 38 HZ3 LYS 38 -4.109 6.313 -5.035 289 H GLY 39 HN GLY 39 -8.002 10.139 -3.983 290 HA2 GLY 39 HA2 GLY 39 -10.812 10.258 -4.830 291 HA3 GLY 39 HA1 GLY 39 -10.116 11.145 -3.484 292 H GLU 40 HN GLU 40 -9.544 13.143 -3.776 293 HA GLU 40 HA GLU 40 -10.149 14.423 -6.287 294 HB2 GLU 40 HB2 GLU 40 -9.724 16.502 -4.929 295 HB3 GLU 40 HB1 GLU 40 -10.983 15.450 -4.291 296 HG2 GLU 40 HG2 GLU 40 -9.294 14.492 -2.725 297 HG3 GLU 40 HG1 GLU 40 -8.151 15.703 -3.296 298 H GLY 41 HN GLY 41 -8.139 13.081 -7.118 299 HA2 GLY 41 HA2 GLY 41 -6.211 13.636 -8.357 300 HA3 GLY 41 HA1 GLY 41 -6.000 15.051 -7.334 301 H ASN 42 HN ASN 42 -4.253 14.961 -6.108 302 HA ASN 42 HA ASN 42 -2.951 12.442 -5.555 303 HB2 ASN 42 HB2 ASN 42 -1.277 13.910 -4.347 304 HB3 ASN 42 HB1 ASN 42 -1.486 14.265 -6.061 305 HD21 ASN 42 HD21 ASN 42 -1.975 15.391 -2.816 306 HD22 ASN 42 HD22 ASN 42 -2.420 17.015 -3.229 307 H THR 43 HN THR 43 -5.167 11.969 -4.423 308 HA THR 43 HA THR 43 -4.721 12.294 -1.553 309 HB THR 43 HB THR 43 -7.291 12.558 -1.393 310 HG1 THR 43 HG1 THR 43 -6.938 13.937 -3.823 311 HG21 THR 43 HG21 THR 43 -5.502 14.822 -2.267 312 HG22 THR 43 HG22 THR 43 -5.701 14.221 -0.620 313 HG23 THR 43 HG23 THR 43 -7.053 15.003 -1.443 314 H CYS 44 HN CYS 44 -5.334 10.581 -0.361 315 HA CYS 44 HA CYS 44 -6.765 8.437 -1.764 316 HB2 CYS 44 HB2 CYS 44 -4.776 8.120 0.489 317 HB3 CYS 44 HB1 CYS 44 -5.603 6.825 -0.371 318 H VAL 45 HN VAL 45 -8.422 7.473 -0.715 319 HA VAL 45 HA VAL 45 -9.204 8.484 1.915 320 HB VAL 45 HB VAL 45 -11.547 8.827 1.061 321 HG11 VAL 45 HG11 VAL 45 -9.459 10.628 -0.168 322 HG12 VAL 45 HG12 VAL 45 -9.984 10.693 1.518 323 HG13 VAL 45 HG13 VAL 45 -11.126 11.063 0.219 324 HG21 VAL 45 HG21 VAL 45 -11.334 7.554 -1.032 325 HG22 VAL 45 HG22 VAL 45 -10.179 8.742 -1.638 326 HG23 VAL 45 HG23 VAL 45 -11.854 9.212 -1.344 327 H GLU 46 HN GLU 46 -10.862 7.219 2.912 328 HA GLU 46 HA GLU 46 -10.464 4.456 2.489 329 HB2 GLU 46 HB2 GLU 46 -12.446 5.981 4.174 330 HB3 GLU 46 HB1 GLU 46 -12.337 4.224 4.174 331 HG2 GLU 46 HG2 GLU 46 -10.129 4.274 5.033 332 HG3 GLU 46 HG1 GLU 46 -10.016 6.023 4.811 333 H ASN 47 HN ASN 47 -11.129 3.593 0.665 334 HA ASN 47 HA ASN 47 -13.321 4.489 -0.855 335 HB2 ASN 47 HB2 ASN 47 -11.467 3.380 -1.913 336 HB3 ASN 47 HB1 ASN 47 -11.709 1.936 -0.948 337 HD21 ASN 47 HD21 ASN 47 -11.601 1.005 -3.097 338 HD22 ASN 47 HD22 ASN 47 -13.067 0.825 -3.994 339 H ASN 48 HN ASN 48 -12.871 1.682 1.228 340 HA ASN 48 HA ASN 48 -14.293 0.549 2.576 341 HB2 ASN 48 HB2 ASN 48 -15.351 3.073 2.595 342 HB3 ASN 48 HB1 ASN 48 -16.721 2.090 2.092 343 HD21 ASN 48 HD21 ASN 48 -14.430 2.725 4.607 344 HD22 ASN 48 HD22 ASN 48 -15.267 1.893 5.862 345 H ASN 49 HN ASN 49 -15.081 1.204 -0.667 346 HA ASN 49 HA ASN 49 -16.415 -1.423 -0.812 347 HB2 ASN 49 HB2 ASN 49 -17.857 0.530 -1.437 348 HB3 ASN 49 HB1 ASN 49 -16.704 0.897 -2.715 349 HD21 ASN 49 HD21 ASN 49 -18.165 0.619 -4.372 350 HD22 ASN 49 HD22 ASN 49 -18.801 -0.932 -4.810 351 HA PRO 50 HA PRO 50 -12.307 -1.045 -3.224 352 HB2 PRO 50 HB2 PRO 50 -10.865 -2.842 -1.801 353 HB3 PRO 50 HB1 PRO 50 -10.843 -1.114 -1.499 354 HG2 PRO 50 HG2 PRO 50 -12.275 -3.274 -0.058 355 HG3 PRO 50 HG1 PRO 50 -11.550 -1.791 0.571 356 HD2 PRO 50 HD2 PRO 50 -14.214 -2.140 0.182 357 HD3 PRO 50 HD1 PRO 50 -13.415 -0.565 0.153 358 H THR 51 HN THR 51 -11.959 -2.280 -4.899 359 HA THR 51 HA THR 51 -12.881 -5.074 -4.853 360 HB THR 51 HB THR 51 -14.306 -3.646 -6.274 361 HG1 THR 51 HG1 THR 51 -13.694 -5.881 -6.894 362 HG21 THR 51 HG21 THR 51 -13.399 -2.626 -8.315 363 HG22 THR 51 HG22 THR 51 -11.774 -3.105 -7.833 364 HG23 THR 51 HG23 THR 51 -12.668 -1.929 -6.870 365 H CYS 52 HN CYS 52 -11.460 -6.621 -5.862 366 HA CYS 52 HA CYS 52 -8.807 -5.600 -6.507 367 HB2 CYS 52 HB2 CYS 52 -9.951 -8.247 -5.920 368 HB3 CYS 52 HB1 CYS 52 -8.831 -8.267 -7.272 369 H ASP 53 HN ASP 53 -8.075 -5.355 -8.550 370 HA ASP 53 HA ASP 53 -8.936 -5.763 -11.035 371 HB2 ASP 53 HB2 ASP 53 -11.307 -5.413 -10.291 372 HB3 ASP 53 HB1 ASP 53 -10.877 -3.799 -9.764 373 H ILE 54 HN ILE 54 -9.087 -3.092 -8.765 374 HA ILE 54 HA ILE 54 -7.717 -1.200 -10.388 375 HB ILE 54 HB ILE 54 -8.070 -1.244 -7.396 376 HG12 ILE 54 HG12 ILE 54 -9.807 0.133 -9.457 377 HG13 ILE 54 HG11 ILE 54 -10.209 -1.410 -8.709 378 HG21 ILE 54 HG21 ILE 54 -7.626 1.122 -7.479 379 HG22 ILE 54 HG22 ILE 54 -7.523 1.078 -9.239 380 HG23 ILE 54 HG23 ILE 54 -6.295 0.244 -8.262 381 HD11 ILE 54 HD11 ILE 54 -9.834 1.202 -7.250 382 HD12 ILE 54 HD12 ILE 54 -10.291 -0.342 -6.528 383 HD13 ILE 54 HD13 ILE 54 -11.380 0.458 -7.660 384 H ASN 55 HN ASN 55 -5.784 -2.137 -11.039 385 HA ASN 55 HA ASN 55 -3.571 -2.678 -10.899 386 HB2 ASN 55 HB2 ASN 55 -3.546 -0.778 -9.192 387 HB3 ASN 55 HB1 ASN 55 -3.672 -2.016 -7.966 388 HD21 ASN 55 HD21 ASN 55 -1.649 -1.564 -7.099 389 HD22 ASN 55 HD22 ASN 55 -0.192 -1.965 -7.926 390 H ASN 56 HN ASN 56 -5.235 -3.552 -8.010 391 HA ASN 56 HA ASN 56 -5.514 -6.250 -8.231 392 HB2 ASN 56 HB2 ASN 56 -3.717 -7.094 -6.703 393 HB3 ASN 56 HB1 ASN 56 -3.164 -6.632 -8.308 394 HD21 ASN 56 HD21 ASN 56 -1.233 -6.764 -6.916 395 HD22 ASN 56 HD22 ASN 56 -0.735 -5.284 -6.220 396 H GLY 57 HN GLY 57 -6.674 -3.839 -7.056 397 HA2 GLY 57 HA2 GLY 57 -8.197 -3.795 -5.249 398 HA3 GLY 57 HA1 GLY 57 -7.172 -4.950 -4.408 399 H GLY 58 HN GLY 58 -5.001 -2.875 -5.551 400 HA2 GLY 58 HA2 GLY 58 -4.356 -0.696 -4.708 401 HA3 GLY 58 HA1 GLY 58 -5.237 -1.080 -3.230 402 H CYS 59 HN CYS 59 -3.403 -3.516 -4.738 403 HA CYS 59 HA CYS 59 -1.466 -3.563 -2.528 404 HB2 CYS 59 HB2 CYS 59 -2.103 -5.819 -4.436 405 HB3 CYS 59 HB1 CYS 59 -1.334 -5.924 -2.871 406 H ASP 60 HN ASP 60 0.505 -4.925 -3.437 407 HA ASP 60 HA ASP 60 1.490 -3.485 -5.798 408 HB2 ASP 60 HB2 ASP 60 2.752 -3.602 -3.583 409 HB3 ASP 60 HB1 ASP 60 2.984 -5.311 -3.907 410 HA PRO 61 HA PRO 61 0.703 -6.939 -8.370 411 HB2 PRO 61 HB2 PRO 61 3.410 -6.546 -9.520 412 HB3 PRO 61 HB1 PRO 61 1.839 -6.548 -10.318 413 HG2 PRO 61 HG2 PRO 61 3.243 -4.297 -9.878 414 HG3 PRO 61 HG1 PRO 61 1.470 -4.333 -9.885 415 HD2 PRO 61 HD2 PRO 61 3.352 -4.098 -7.610 416 HD3 PRO 61 HD1 PRO 61 1.698 -3.502 -7.782 417 H THR 62 HN THR 62 3.520 -6.768 -6.383 418 HA THR 62 HA THR 62 4.131 -9.597 -6.699 419 HB THR 62 HB THR 62 6.026 -9.183 -5.244 420 HG1 THR 62 HG1 THR 62 5.286 -6.446 -5.016 421 HG21 THR 62 HG21 THR 62 7.169 -7.399 -6.540 422 HG22 THR 62 HG22 THR 62 5.614 -6.970 -7.262 423 HG23 THR 62 HG23 THR 62 6.323 -8.558 -7.567 424 H ALA 63 HN ALA 63 2.284 -7.510 -4.737 425 HA ALA 63 HA ALA 63 2.029 -9.397 -2.544 426 HB1 ALA 63 HB1 ALA 63 0.636 -6.756 -3.061 427 HB2 ALA 63 HB2 ALA 63 2.022 -7.026 -2.001 428 HB3 ALA 63 HB3 ALA 63 0.458 -7.738 -1.605 429 H SER 64 HN SER 64 0.672 -11.033 -2.630 430 HA SER 64 HA SER 64 -1.123 -11.633 -4.631 431 HB2 SER 64 HB2 SER 64 -0.641 -12.518 -1.833 432 HB3 SER 64 HB1 SER 64 -2.002 -13.155 -2.708 433 HG SER 64 HG SER 64 -0.370 -13.652 -4.406 434 H CYS 65 HN CYS 65 -3.013 -10.688 -5.127 435 HA CYS 65 HA CYS 65 -4.342 -8.988 -3.194 436 HB2 CYS 65 HB2 CYS 65 -4.688 -7.792 -5.054 437 HB3 CYS 65 HB1 CYS 65 -4.045 -9.091 -6.018 438 H GLN 66 HN GLN 66 -6.347 -9.226 -2.475 439 HA GLN 66 HA GLN 66 -7.983 -11.521 -3.279 440 HB2 GLN 66 HB2 GLN 66 -7.733 -10.852 -0.370 441 HB3 GLN 66 HB1 GLN 66 -8.307 -12.334 -1.110 442 HG2 GLN 66 HG2 GLN 66 -5.484 -11.611 -1.524 443 HG3 GLN 66 HG1 GLN 66 -5.956 -12.115 0.085 444 HE21 GLN 66 HE21 GLN 66 -4.718 -13.981 -0.048 445 HE22 GLN 66 HE22 GLN 66 -5.190 -15.331 -1.015 446 H ASN 67 HN ASN 67 -10.152 -10.975 -3.307 447 HA ASN 67 HA ASN 67 -10.864 -8.415 -2.082 448 HB2 ASN 67 HB2 ASN 67 -13.137 -8.921 -3.262 449 HB3 ASN 67 HB1 ASN 67 -11.785 -8.287 -4.177 450 HD21 ASN 67 HD21 ASN 67 -12.794 -9.111 -6.062 451 HD22 ASN 67 HD22 ASN 67 -12.697 -10.793 -6.457 452 H ALA 68 HN ALA 68 -12.346 -8.223 -0.553 453 HA ALA 68 HA ALA 68 -13.773 -10.469 0.534 454 HB1 ALA 68 HB1 ALA 68 -11.654 -11.022 1.459 455 HB2 ALA 68 HB2 ALA 68 -12.616 -10.302 2.753 456 HB3 ALA 68 HB3 ALA 68 -11.364 -9.352 1.943 457 H GLU 69 HN GLU 69 -14.989 -9.807 2.506 458 HA GLU 69 HA GLU 69 -15.344 -6.901 2.605 459 HB2 GLU 69 HB2 GLU 69 -17.499 -8.984 2.742 460 HB3 GLU 69 HB1 GLU 69 -17.747 -7.270 3.023 461 HG2 GLU 69 HG2 GLU 69 -16.978 -6.804 0.737 462 HG3 GLU 69 HG1 GLU 69 -16.825 -8.538 0.456 463 H SER 70 HN SER 70 -14.170 -6.609 4.323 464 HA SER 70 HA SER 70 -14.992 -7.872 6.848 465 HB2 SER 70 HB2 SER 70 -12.566 -8.073 6.065 466 HB3 SER 70 HB1 SER 70 -12.427 -6.339 6.346 467 HG SER 70 HG SER 70 -12.924 -8.403 8.224 468 H THR 71 HN THR 71 -15.165 -6.464 8.714 469 HA THR 71 HA THR 71 -16.500 -4.045 8.224 470 HB THR 71 HB THR 71 -16.808 -5.313 10.292 471 HG1 THR 71 HG1 THR 71 -16.476 -3.437 11.775 472 HG21 THR 71 HG21 THR 71 -14.516 -6.086 10.620 473 HG22 THR 71 HG22 THR 71 -15.116 -5.273 12.069 474 HG23 THR 71 HG23 THR 71 -13.999 -4.438 10.986 475 H GLU 72 HN GLU 72 -13.143 -4.812 8.537 476 HA GLU 72 HA GLU 72 -12.355 -2.004 8.622 477 HB2 GLU 72 HB2 GLU 72 -10.479 -4.302 8.224 478 HB3 GLU 72 HB1 GLU 72 -10.165 -2.749 8.979 479 HG2 GLU 72 HG2 GLU 72 -11.613 -3.431 10.861 480 HG3 GLU 72 HG1 GLU 72 -11.770 -5.018 10.107 481 H ASN 73 HN ASN 73 -12.048 -0.877 6.795 482 HA ASN 73 HA ASN 73 -12.322 -1.963 4.214 483 HB2 ASN 73 HB2 ASN 73 -11.010 0.260 3.596 484 HB3 ASN 73 HB1 ASN 73 -12.691 0.298 4.105 485 HD21 ASN 73 HD21 ASN 73 -12.571 2.370 4.892 486 HD22 ASN 73 HD22 ASN 73 -11.688 2.808 6.313 487 H SER 74 HN SER 74 -9.546 -1.553 6.276 488 HA SER 74 HA SER 74 -7.646 -2.032 4.206 489 HB2 SER 74 HB2 SER 74 -7.055 -0.766 6.238 490 HB3 SER 74 HB1 SER 74 -7.332 -2.206 7.214 491 HG SER 74 HG SER 74 -5.118 -1.462 5.857 492 H LYS 75 HN LYS 75 -9.685 -3.983 6.112 493 HA LYS 75 HA LYS 75 -8.108 -6.396 5.617 494 HB2 LYS 75 HB2 LYS 75 -10.540 -5.862 7.318 495 HB3 LYS 75 HB1 LYS 75 -9.876 -7.471 7.059 496 HG2 LYS 75 HG2 LYS 75 -8.071 -5.336 8.030 497 HG3 LYS 75 HG1 LYS 75 -9.223 -6.057 9.154 498 HD2 LYS 75 HD2 LYS 75 -7.240 -7.590 7.475 499 HD3 LYS 75 HD1 LYS 75 -7.046 -7.201 9.184 500 HE2 LYS 75 HE2 LYS 75 -9.083 -8.449 9.702 501 HE3 LYS 75 HE1 LYS 75 -9.278 -8.838 7.995 502 HZ1 LYS 75 HZ1 LYS 75 -8.286 -10.685 9.123 503 HZ2 LYS 75 HZ2 LYS 75 -7.054 -9.709 9.765 504 HZ3 LYS 75 HZ3 LYS 75 -7.122 -9.999 8.098 505 H LYS 76 HN LYS 76 -10.109 -4.659 3.829 506 HA LYS 76 HA LYS 76 -11.894 -6.758 2.958 507 HB2 LYS 76 HB2 LYS 76 -11.416 -4.025 1.828 508 HB3 LYS 76 HB1 LYS 76 -12.638 -5.158 1.273 509 HG2 LYS 76 HG2 LYS 76 -13.645 -5.094 3.546 510 HG3 LYS 76 HG1 LYS 76 -12.484 -3.827 3.960 511 HD2 LYS 76 HD2 LYS 76 -13.359 -2.680 1.810 512 HD3 LYS 76 HD1 LYS 76 -14.724 -3.766 2.000 513 HE2 LYS 76 HE2 LYS 76 -13.777 -1.906 4.156 514 HE3 LYS 76 HE1 LYS 76 -15.000 -1.472 2.967 515 HZ1 LYS 76 HZ1 LYS 76 -15.196 -3.701 4.924 516 HZ2 LYS 76 HZ2 LYS 76 -16.357 -3.326 3.750 517 HZ3 LYS 76 HZ3 LYS 76 -16.032 -2.227 5.002 518 H ILE 77 HN ILE 77 -9.302 -4.826 1.510 519 HA ILE 77 HA ILE 77 -8.881 -6.943 -0.456 520 HB ILE 77 HB ILE 77 -7.551 -4.242 -0.213 521 HG12 ILE 77 HG12 ILE 77 -9.881 -4.035 -0.863 522 HG13 ILE 77 HG11 ILE 77 -8.854 -3.705 -2.257 523 HG21 ILE 77 HG21 ILE 77 -7.319 -6.334 -2.366 524 HG22 ILE 77 HG22 ILE 77 -6.051 -5.828 -1.246 525 HG23 ILE 77 HG23 ILE 77 -6.657 -4.699 -2.463 526 HD11 ILE 77 HD11 ILE 77 -10.827 -5.087 -2.775 527 HD12 ILE 77 HD12 ILE 77 -10.189 -6.340 -1.704 528 HD13 ILE 77 HD13 ILE 77 -9.298 -5.880 -3.159 529 H ILE 78 HN ILE 78 -7.566 -8.487 0.048 530 HA ILE 78 HA ILE 78 -5.659 -8.095 2.218 531 HB ILE 78 HB ILE 78 -6.402 -10.668 0.821 532 HG12 ILE 78 HG12 ILE 78 -7.539 -11.120 3.091 533 HG13 ILE 78 HG11 ILE 78 -7.454 -9.378 3.334 534 HG21 ILE 78 HG21 ILE 78 -4.198 -10.724 1.807 535 HG22 ILE 78 HG22 ILE 78 -5.310 -11.744 2.724 536 HG23 ILE 78 HG23 ILE 78 -4.851 -10.157 3.343 537 HD11 ILE 78 HD11 ILE 78 -9.634 -10.082 2.475 538 HD12 ILE 78 HD12 ILE 78 -8.844 -10.756 1.047 539 HD13 ILE 78 HD13 ILE 78 -8.796 -9.017 1.343 540 H CYS 79 HN CYS 79 -3.796 -7.308 1.586 541 HA CYS 79 HA CYS 79 -2.639 -8.229 -0.943 542 HB2 CYS 79 HB2 CYS 79 -1.760 -5.917 0.786 543 HB3 CYS 79 HB1 CYS 79 -1.298 -6.234 -0.884 544 H THR 80 HN THR 80 -1.304 -9.845 -0.776 545 HA THR 80 HA THR 80 0.125 -10.283 1.761 546 HB THR 80 HB THR 80 -0.901 -12.226 -0.307 547 HG1 THR 80 HG1 THR 80 -1.710 -11.382 2.235 548 HG21 THR 80 HG21 THR 80 -0.067 -13.998 1.219 549 HG22 THR 80 HG22 THR 80 0.796 -12.752 2.129 550 HG23 THR 80 HG23 THR 80 1.214 -13.067 0.444 551 H CYS 81 HN CYS 81 2.221 -9.702 1.580 552 HA CYS 81 HA CYS 81 3.597 -9.948 -0.962 553 HB2 CYS 81 HB2 CYS 81 4.921 -9.267 1.660 554 HB3 CYS 81 HB1 CYS 81 5.389 -8.780 0.035 555 H LYS 82 HN LYS 82 5.028 -11.545 -1.485 556 HA LYS 82 HA LYS 82 4.623 -14.009 -0.089 557 HB2 LYS 82 HB2 LYS 82 6.187 -13.315 -2.562 558 HB3 LYS 82 HB1 LYS 82 6.157 -14.937 -1.891 559 HG2 LYS 82 HG2 LYS 82 4.545 -14.999 -3.554 560 HG3 LYS 82 HG1 LYS 82 3.602 -14.753 -2.084 561 HD2 LYS 82 HD2 LYS 82 3.345 -12.432 -2.551 562 HD3 LYS 82 HD1 LYS 82 4.500 -12.513 -3.881 563 HE2 LYS 82 HE2 LYS 82 1.764 -13.783 -3.761 564 HE3 LYS 82 HE1 LYS 82 2.269 -12.426 -4.772 565 HZ1 LYS 82 HZ1 LYS 82 3.227 -15.236 -4.980 566 HZ2 LYS 82 HZ2 LYS 82 3.860 -13.941 -5.873 567 HZ3 LYS 82 HZ3 LYS 82 2.244 -14.411 -6.093 568 H GLU 83 HN GLU 83 6.754 -15.500 -0.240 569 HA GLU 83 HA GLU 83 8.125 -14.981 2.092 570 HB2 GLU 83 HB2 GLU 83 8.976 -16.757 -0.181 571 HB3 GLU 83 HB1 GLU 83 9.618 -16.824 1.454 572 HG2 GLU 83 HG2 GLU 83 7.325 -17.292 2.258 573 HG3 GLU 83 HG1 GLU 83 6.798 -17.380 0.583 574 HA PRO 84 HA PRO 84 11.996 -13.458 -0.198 575 HB2 PRO 84 HB2 PRO 84 11.911 -12.600 -2.725 576 HB3 PRO 84 HB1 PRO 84 12.112 -14.309 -2.333 577 HG2 PRO 84 HG2 PRO 84 9.722 -12.867 -3.327 578 HG3 PRO 84 HG1 PRO 84 10.217 -14.545 -3.600 579 HD2 PRO 84 HD2 PRO 84 8.291 -13.633 -1.766 580 HD3 PRO 84 HD1 PRO 84 9.004 -15.251 -1.828 581 H THR 85 HN THR 85 9.161 -12.113 0.125 582 HA THR 85 HA THR 85 10.216 -9.396 0.201 583 HB THR 85 HB THR 85 8.134 -8.495 -0.609 584 HG1 THR 85 HG1 THR 85 7.114 -10.812 0.251 585 HG21 THR 85 HG21 THR 85 9.623 -9.284 -2.373 586 HG22 THR 85 HG22 THR 85 7.938 -9.497 -2.851 587 HG23 THR 85 HG23 THR 85 8.884 -10.889 -2.301 588 HA PRO 86 HA PRO 86 8.871 -11.588 4.101 589 HB2 PRO 86 HB2 PRO 86 11.072 -10.018 5.260 590 HB3 PRO 86 HB1 PRO 86 10.797 -11.760 5.311 591 HG2 PRO 86 HG2 PRO 86 12.742 -10.654 3.837 592 HG3 PRO 86 HG1 PRO 86 11.858 -12.093 3.290 593 HD2 PRO 86 HD2 PRO 86 11.569 -9.242 2.458 594 HD3 PRO 86 HD1 PRO 86 11.488 -10.723 1.482 595 H ASN 87 HN ASN 87 8.799 -8.459 3.120 596 HA ASN 87 HA ASN 87 7.520 -7.477 5.543 597 HB2 ASN 87 HB2 ASN 87 9.625 -5.950 4.027 598 HB3 ASN 87 HB1 ASN 87 8.861 -5.491 5.535 599 HD21 ASN 87 HD21 ASN 87 11.317 -7.264 4.023 600 HD22 ASN 87 HD22 ASN 87 12.094 -7.900 5.432 601 H ALA 88 HN ALA 88 6.910 -4.980 4.821 602 HA ALA 88 HA ALA 88 5.987 -5.005 2.055 603 HB1 ALA 88 HB1 ALA 88 4.184 -6.061 3.317 604 HB2 ALA 88 HB2 ALA 88 3.690 -4.492 2.682 605 HB3 ALA 88 HB3 ALA 88 4.109 -4.662 4.388 606 H TYR 89 HN TYR 89 5.570 -2.979 1.207 607 HA TYR 89 HA TYR 89 6.488 -0.672 2.684 608 HB2 TYR 89 HB2 TYR 89 4.962 -0.685 0.063 609 HB3 TYR 89 HB1 TYR 89 5.973 0.608 0.677 610 HD1 TYR 89 HD1 TYR 89 8.136 -1.805 1.433 611 HD2 TYR 89 HD2 TYR 89 6.186 -0.300 -2.026 612 HE1 TYR 89 HE1 TYR 89 10.004 -2.567 0.038 613 HE2 TYR 89 HE2 TYR 89 8.034 -1.061 -3.430 614 HH TYR 89 HH TYR 89 10.332 -1.592 -3.274 615 H TYR 90 HN TYR 90 5.214 -0.109 4.311 616 HA TYR 90 HA TYR 90 3.431 0.396 5.585 617 HB2 TYR 90 HB2 TYR 90 2.707 1.471 3.154 618 HB3 TYR 90 HB1 TYR 90 1.329 0.453 3.550 619 HD1 TYR 90 HD1 TYR 90 2.837 3.582 4.053 620 HD2 TYR 90 HD2 TYR 90 0.404 0.704 5.998 621 HE1 TYR 90 HE1 TYR 90 2.098 5.298 5.628 622 HE2 TYR 90 HE2 TYR 90 -0.360 2.421 7.586 623 HH TYR 90 HH TYR 90 0.324 4.531 8.475 624 H GLU 91 HN GLU 91 0.743 -0.763 4.042 625 HA GLU 91 HA GLU 91 0.757 -3.018 5.895 626 HB2 GLU 91 HB2 GLU 91 -1.636 -2.332 4.244 627 HB3 GLU 91 HB1 GLU 91 -1.553 -2.951 5.887 628 HG2 GLU 91 HG2 GLU 91 -0.561 -0.661 6.482 629 HG3 GLU 91 HG1 GLU 91 -1.176 -0.153 4.908 630 H GLY 92 HN GLY 92 1.659 -2.718 2.761 631 HA2 GLY 92 HA2 GLY 92 2.059 -4.886 1.578 632 HA3 GLY 92 HA1 GLY 92 0.377 -5.266 1.946 633 H VAL 93 HN VAL 93 0.402 -2.085 1.455 634 HA VAL 93 HA VAL 93 -0.895 -1.984 -0.976 635 HB VAL 93 HB VAL 93 0.899 0.205 0.123 636 HG11 VAL 93 HG11 VAL 93 -0.745 1.702 -0.874 637 HG12 VAL 93 HG12 VAL 93 -1.627 0.305 -1.494 638 HG13 VAL 93 HG13 VAL 93 0.008 0.645 -2.068 639 HG21 VAL 93 HG21 VAL 93 -0.425 -0.536 1.976 640 HG22 VAL 93 HG22 VAL 93 -1.892 -0.519 0.995 641 HG23 VAL 93 HG23 VAL 93 -1.081 0.996 1.394 642 H PHE 94 HN PHE 94 2.488 -1.930 -0.179 643 HA PHE 94 HA PHE 94 3.106 -2.808 -2.837 644 HB2 PHE 94 HB2 PHE 94 5.250 -1.128 -2.448 645 HB3 PHE 94 HB1 PHE 94 3.942 -0.864 -3.575 646 HD1 PHE 94 HD1 PHE 94 2.445 -0.211 -0.465 647 HD2 PHE 94 HD2 PHE 94 5.365 1.370 -3.116 648 HE1 PHE 94 HE1 PHE 94 2.115 2.008 0.508 649 HE2 PHE 94 HE2 PHE 94 5.031 3.598 -2.143 650 HZ PHE 94 HZ PHE 94 3.402 3.922 -0.331 651 H CYS 95 HN CYS 95 5.260 -3.893 -2.905 652 HA CYS 95 HA CYS 95 6.486 -4.362 -0.289 653 HB2 CYS 95 HB2 CYS 95 5.991 -6.815 -1.931 654 HB3 CYS 95 HB1 CYS 95 6.208 -6.652 -0.188 655 H SER 96 HN SER 96 8.615 -5.474 -0.472 656 HA SER 96 HA SER 96 9.912 -4.659 -2.984 657 HB2 SER 96 HB2 SER 96 10.672 -3.631 -0.779 658 HB3 SER 96 HB1 SER 96 11.294 -5.224 -0.359 659 HG SER 96 HG SER 96 12.049 -3.660 -2.610 660 H SER 97 HN SER 97 10.639 -6.168 -4.295 661 HA SER 97 HA SER 97 11.134 -8.848 -3.189 662 HB2 SER 97 HB2 SER 97 10.807 -8.096 -6.084 663 HB3 SER 97 HB1 SER 97 10.802 -9.714 -5.396 664 HG SER 97 HG SER 97 8.911 -7.813 -4.549 665 H SER 98 HN SER 98 13.144 -7.904 -2.400 666 HA SER 98 HA SER 98 15.337 -8.512 -4.109 667 HB2 SER 98 HB2 SER 98 14.725 -6.234 -4.923 668 HB3 SER 98 HB1 SER 98 15.021 -5.609 -3.303 669 HG SER 98 HG SER 98 17.033 -7.068 -4.638 670 H SER 99 HN SER 99 14.339 -9.292 -1.500 671 HA SER 99 HA SER 99 16.300 -8.141 0.342 672 HB2 SER 99 HB2 SER 99 14.994 -9.374 2.099 673 HB3 SER 99 HB1 SER 99 14.039 -8.210 1.185 674 HG SER 99 HG SER 99 14.184 -10.872 0.319 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 12.768 -3.450 -3.764 2 H2 GLY 1 HT2 GLY 1 13.287 -2.892 -5.275 3 H3 GLY 1 HT3 GLY 1 13.802 -2.113 -3.857 4 HA2 GLY 1 HA2 GLY 1 15.573 -3.494 -4.724 5 HA3 GLY 1 HA1 GLY 1 14.495 -4.883 -4.683 6 H VAL 2 HN VAL 2 15.839 -6.004 -3.292 7 HA VAL 2 HA VAL 2 16.526 -6.878 -1.349 8 HB VAL 2 HB VAL 2 17.866 -4.613 -1.426 9 HG11 VAL 2 HG11 VAL 2 16.079 -4.236 0.971 10 HG12 VAL 2 HG12 VAL 2 16.199 -3.192 -0.447 11 HG13 VAL 2 HG13 VAL 2 17.561 -3.323 0.668 12 HG21 VAL 2 HG21 VAL 2 17.759 -6.037 1.212 13 HG22 VAL 2 HG22 VAL 2 19.158 -5.371 0.368 14 HG23 VAL 2 HG23 VAL 2 18.369 -6.825 -0.242 15 H ASP 3 HN ASP 3 16.181 -6.824 1.128 16 HA ASP 3 HA ASP 3 13.612 -7.239 1.871 17 HB2 ASP 3 HB2 ASP 3 14.521 -6.591 4.222 18 HB3 ASP 3 HB1 ASP 3 15.173 -7.991 3.396 19 HA PRO 4 HA PRO 4 11.617 -3.394 1.134 20 HB2 PRO 4 HB2 PRO 4 9.583 -4.359 2.925 21 HB3 PRO 4 HB1 PRO 4 9.511 -4.091 1.190 22 HG2 PRO 4 HG2 PRO 4 9.906 -6.549 2.655 23 HG3 PRO 4 HG1 PRO 4 9.593 -6.333 0.930 24 HD2 PRO 4 HD2 PRO 4 11.935 -7.226 2.014 25 HD3 PRO 4 HD1 PRO 4 11.795 -6.450 0.433 26 H LYS 5 HN LYS 5 12.582 -4.358 4.359 27 HA LYS 5 HA LYS 5 11.204 -2.370 5.804 28 HB2 LYS 5 HB2 LYS 5 13.138 -2.834 7.530 29 HB3 LYS 5 HB1 LYS 5 11.838 -3.978 7.248 30 HG2 LYS 5 HG2 LYS 5 13.941 -5.130 7.358 31 HG3 LYS 5 HG1 LYS 5 13.309 -5.221 5.715 32 HD2 LYS 5 HD2 LYS 5 15.647 -4.772 5.597 33 HD3 LYS 5 HD1 LYS 5 14.784 -3.313 5.117 34 HE2 LYS 5 HE2 LYS 5 15.189 -2.299 7.252 35 HE3 LYS 5 HE1 LYS 5 15.878 -3.797 7.882 36 HZ1 LYS 5 HZ1 LYS 5 17.756 -3.578 6.522 37 HZ2 LYS 5 HZ2 LYS 5 17.493 -2.015 7.126 38 HZ3 LYS 5 HZ3 LYS 5 17.034 -2.406 5.539 39 H HIS 6 HN HIS 6 12.930 -1.336 3.547 40 HA HIS 6 HA HIS 6 15.122 0.151 4.240 41 HB2 HIS 6 HB2 HIS 6 12.921 1.338 2.561 42 HB3 HIS 6 HB1 HIS 6 14.656 1.555 2.392 43 HD1 HIS 6 HD1 HIS 6 11.922 -0.920 1.671 44 HD2 HIS 6 HD2 HIS 6 15.864 -0.223 0.763 45 HE1 HIS 6 HE1 HIS 6 12.499 -2.596 -0.112 46 HE2 HIS 6 HE2 HIS 6 14.911 -2.155 -0.661 47 H VAL 7 HN VAL 7 11.801 0.801 4.971 48 HA VAL 7 HA VAL 7 10.603 2.349 5.998 49 HB VAL 7 HB VAL 7 11.319 3.649 7.736 50 HG11 VAL 7 HG11 VAL 7 11.653 1.351 8.232 51 HG12 VAL 7 HG12 VAL 7 12.926 2.294 9.009 52 HG13 VAL 7 HG13 VAL 7 13.272 1.383 7.537 53 HG21 VAL 7 HG21 VAL 7 13.620 4.435 8.110 54 HG22 VAL 7 HG22 VAL 7 12.916 5.057 6.615 55 HG23 VAL 7 HG23 VAL 7 14.087 3.741 6.556 56 H CYS 8 HN CYS 8 9.925 4.560 5.892 57 HA CYS 8 HA CYS 8 10.841 5.659 3.313 58 HB2 CYS 8 HB2 CYS 8 8.764 4.577 2.919 59 HB3 CYS 8 HB1 CYS 8 8.049 5.309 4.343 60 H VAL 9 HN VAL 9 10.965 7.683 2.990 61 HA VAL 9 HA VAL 9 9.553 9.582 4.664 62 HB VAL 9 HB VAL 9 11.708 11.036 4.466 63 HG11 VAL 9 HG11 VAL 9 10.858 10.128 6.607 64 HG12 VAL 9 HG12 VAL 9 12.622 10.130 6.546 65 HG13 VAL 9 HG13 VAL 9 11.731 8.627 6.288 66 HG21 VAL 9 HG21 VAL 9 13.782 9.687 4.413 67 HG22 VAL 9 HG22 VAL 9 12.859 9.570 2.907 68 HG23 VAL 9 HG23 VAL 9 12.797 8.252 4.083 69 H ASP 10 HN ASP 10 8.227 10.171 3.002 70 HA ASP 10 HA ASP 10 9.474 10.914 0.463 71 HB2 ASP 10 HB2 ASP 10 8.520 8.810 0.035 72 HB3 ASP 10 HB1 ASP 10 7.084 9.180 0.960 73 H THR 11 HN THR 11 8.334 12.461 -0.780 74 HA THR 11 HA THR 11 6.881 14.082 -1.330 75 HB THR 11 HB THR 11 5.495 12.097 0.312 76 HG1 THR 11 HG1 THR 11 5.383 11.462 -1.673 77 HG21 THR 11 HG21 THR 11 3.288 13.201 -0.110 78 HG22 THR 11 HG22 THR 11 4.186 14.690 -0.424 79 HG23 THR 11 HG23 THR 11 4.280 13.913 1.161 80 H ARG 12 HN ARG 12 5.642 16.007 -0.578 81 HA ARG 12 HA ARG 12 6.965 17.215 1.693 82 HB2 ARG 12 HB2 ARG 12 4.713 18.605 0.391 83 HB3 ARG 12 HB1 ARG 12 6.262 19.233 0.902 84 HG2 ARG 12 HG2 ARG 12 5.681 17.665 -1.597 85 HG3 ARG 12 HG1 ARG 12 6.096 19.374 -1.483 86 HD2 ARG 12 HD2 ARG 12 7.928 17.188 -0.535 87 HD3 ARG 12 HD1 ARG 12 7.936 17.777 -2.193 88 HE ARG 12 HE ARG 12 8.292 19.770 -0.089 89 HH11 ARG 12 HH11 ARG 12 9.725 17.661 -2.477 90 HH12 ARG 12 HH12 ARG 12 11.195 18.574 -2.623 91 HH21 ARG 12 HH21 ARG 12 10.266 20.983 -0.233 92 HH22 ARG 12 HH22 ARG 12 11.519 20.441 -1.312 93 H ASP 13 HN ASP 13 3.732 16.142 0.814 94 HA ASP 13 HA ASP 13 3.107 15.765 3.618 95 HB2 ASP 13 HB2 ASP 13 2.370 18.092 3.158 96 HB3 ASP 13 HB1 ASP 13 1.319 17.484 1.881 97 H ILE 14 HN ILE 14 2.810 13.618 3.402 98 HA ILE 14 HA ILE 14 1.475 12.425 1.164 99 HB ILE 14 HB ILE 14 2.373 11.275 3.818 100 HG12 ILE 14 HG12 ILE 14 3.483 10.320 1.280 101 HG13 ILE 14 HG11 ILE 14 3.799 12.023 1.606 102 HG21 ILE 14 HG21 ILE 14 2.017 9.041 2.765 103 HG22 ILE 14 HG22 ILE 14 1.124 9.851 1.473 104 HG23 ILE 14 HG23 ILE 14 0.519 9.911 3.127 105 HD11 ILE 14 HD11 ILE 14 4.767 11.411 3.757 106 HD12 ILE 14 HD12 ILE 14 5.600 10.652 2.398 107 HD13 ILE 14 HD13 ILE 14 4.477 9.707 3.387 108 HA PRO 15 HA PRO 15 -2.698 13.073 2.093 109 HB2 PRO 15 HB2 PRO 15 -2.995 10.257 1.171 110 HB3 PRO 15 HB1 PRO 15 -3.844 11.707 0.644 111 HG2 PRO 15 HG2 PRO 15 -1.994 10.738 -0.901 112 HG3 PRO 15 HG1 PRO 15 -1.994 12.481 -0.579 113 HD2 PRO 15 HD2 PRO 15 -0.337 10.335 0.690 114 HD3 PRO 15 HD1 PRO 15 0.189 11.890 0.041 115 H LYS 16 HN LYS 16 -4.374 12.527 3.521 116 HA LYS 16 HA LYS 16 -3.955 10.822 5.688 117 HB2 LYS 16 HB2 LYS 16 -6.510 10.969 5.748 118 HB3 LYS 16 HB1 LYS 16 -5.601 12.442 6.008 119 HG2 LYS 16 HG2 LYS 16 -6.172 11.934 3.246 120 HG3 LYS 16 HG1 LYS 16 -7.646 12.006 4.211 121 HD2 LYS 16 HD2 LYS 16 -5.476 14.098 4.202 122 HD3 LYS 16 HD1 LYS 16 -6.991 14.205 3.300 123 HE2 LYS 16 HE2 LYS 16 -8.265 14.217 5.327 124 HE3 LYS 16 HE1 LYS 16 -6.829 13.887 6.294 125 HZ1 LYS 16 HZ1 LYS 16 -7.607 16.255 6.259 126 HZ2 LYS 16 HZ2 LYS 16 -7.117 16.322 4.638 127 HZ3 LYS 16 HZ3 LYS 16 -5.975 16.019 5.853 128 H ASN 17 HN ASN 17 -4.943 8.805 6.070 129 HA ASN 17 HA ASN 17 -5.428 6.628 5.570 130 HB2 ASN 17 HB2 ASN 17 -6.806 7.624 3.076 131 HB3 ASN 17 HB1 ASN 17 -7.205 6.216 4.051 132 HD21 ASN 17 HD21 ASN 17 -7.289 9.653 3.837 133 HD22 ASN 17 HD22 ASN 17 -8.549 9.928 5.011 134 H ALA 18 HN ALA 18 -3.226 8.260 4.187 135 HA ALA 18 HA ALA 18 -2.486 6.201 2.214 136 HB1 ALA 18 HB1 ALA 18 -1.662 9.106 2.194 137 HB2 ALA 18 HB2 ALA 18 -2.879 8.372 1.149 138 HB3 ALA 18 HB3 ALA 18 -1.191 7.873 1.022 139 H GLY 19 HN GLY 19 -0.475 5.389 2.269 140 HA2 GLY 19 HA2 GLY 19 1.345 6.404 4.363 141 HA3 GLY 19 HA1 GLY 19 1.154 4.683 4.036 142 H CYS 20 HN CYS 20 3.655 5.923 3.926 143 HA CYS 20 HA CYS 20 4.115 6.185 1.038 144 HB2 CYS 20 HB2 CYS 20 5.597 7.918 1.376 145 HB3 CYS 20 HB1 CYS 20 4.416 8.220 2.639 146 H PHE 21 HN PHE 21 5.971 5.276 0.186 147 HA PHE 21 HA PHE 21 7.653 3.759 2.046 148 HB2 PHE 21 HB2 PHE 21 6.183 2.091 1.246 149 HB3 PHE 21 HB1 PHE 21 6.325 2.655 -0.406 150 HD1 PHE 21 HD1 PHE 21 9.073 2.233 1.808 151 HD2 PHE 21 HD2 PHE 21 6.990 0.564 -1.395 152 HE1 PHE 21 HE1 PHE 21 10.997 0.691 1.417 153 HE2 PHE 21 HE2 PHE 21 8.815 -1.023 -1.793 154 HZ PHE 21 HZ PHE 21 10.828 -0.938 -0.365 155 H ARG 22 HN ARG 22 9.731 3.900 1.697 156 HA ARG 22 HA ARG 22 10.721 5.047 -0.811 157 HB2 ARG 22 HB2 ARG 22 10.944 6.726 0.970 158 HB3 ARG 22 HB1 ARG 22 11.740 5.550 1.987 159 HG2 ARG 22 HG2 ARG 22 13.594 5.432 0.487 160 HG3 ARG 22 HG1 ARG 22 12.813 6.561 -0.608 161 HD2 ARG 22 HD2 ARG 22 12.820 7.775 1.913 162 HD3 ARG 22 HD1 ARG 22 14.420 7.062 1.709 163 HE ARG 22 HE ARG 22 13.421 8.537 -0.551 164 HH11 ARG 22 HH11 ARG 22 15.391 8.615 2.358 165 HH12 ARG 22 HH12 ARG 22 16.207 10.085 1.915 166 HH21 ARG 22 HH21 ARG 22 14.473 10.499 -1.105 167 HH22 ARG 22 HH22 ARG 22 15.712 11.138 -0.057 168 H ASP 23 HN ASP 23 11.942 3.632 -1.815 169 HA ASP 23 HA ASP 23 12.619 1.204 -0.345 170 HB2 ASP 23 HB2 ASP 23 11.229 1.224 -2.438 171 HB3 ASP 23 HB1 ASP 23 12.701 1.659 -3.331 172 H ASP 24 HN ASP 24 14.653 0.284 -2.109 173 HA ASP 24 HA ASP 24 16.796 1.063 -0.480 174 HB2 ASP 24 HB2 ASP 24 16.616 -1.136 -1.463 175 HB3 ASP 24 HB1 ASP 24 16.717 -0.445 -3.078 176 H ASP 25 HN ASP 25 16.115 1.836 -3.873 177 HA ASP 25 HA ASP 25 18.607 3.147 -4.314 178 HB2 ASP 25 HB2 ASP 25 17.385 2.107 -6.145 179 HB3 ASP 25 HB1 ASP 25 16.024 3.191 -5.890 180 H GLY 26 HN GLY 26 16.034 4.091 -2.498 181 HA2 GLY 26 HA2 GLY 26 15.849 6.213 -1.449 182 HA3 GLY 26 HA1 GLY 26 16.682 6.936 -2.825 183 H THR 27 HN THR 27 14.618 4.764 -4.026 184 HA THR 27 HA THR 27 12.815 6.376 -5.316 185 HB THR 27 HB THR 27 12.024 3.709 -4.218 186 HG1 THR 27 HG1 THR 27 13.687 3.902 -6.507 187 HG21 THR 27 HG21 THR 27 11.691 4.998 -6.935 188 HG22 THR 27 HG22 THR 27 10.442 4.841 -5.699 189 HG23 THR 27 HG23 THR 27 11.094 3.401 -6.481 190 H GLU 28 HN GLU 28 10.988 7.466 -4.692 191 HA GLU 28 HA GLU 28 9.879 6.815 -2.042 192 HB2 GLU 28 HB2 GLU 28 10.408 9.518 -3.250 193 HB3 GLU 28 HB1 GLU 28 9.345 9.282 -1.871 194 HG2 GLU 28 HG2 GLU 28 11.108 8.628 -0.475 195 HG3 GLU 28 HG1 GLU 28 12.185 8.330 -1.833 196 H GLU 29 HN GLU 29 7.863 6.235 -2.100 197 HA GLU 29 HA GLU 29 6.009 7.497 -3.953 198 HB2 GLU 29 HB2 GLU 29 6.765 5.624 -5.246 199 HB3 GLU 29 HB1 GLU 29 6.581 4.544 -3.876 200 HG2 GLU 29 HG2 GLU 29 4.220 4.645 -4.001 201 HG3 GLU 29 HG1 GLU 29 4.273 5.960 -5.174 202 H TRP 30 HN TRP 30 4.191 7.944 -2.894 203 HA TRP 30 HA TRP 30 3.532 6.303 -0.555 204 HB2 TRP 30 HB2 TRP 30 1.989 8.101 0.094 205 HB3 TRP 30 HB1 TRP 30 3.622 8.724 -0.118 206 HD1 TRP 30 HD TRP 30 3.938 10.655 -1.808 207 HE1 TRP 30 HE1 TRP 30 2.359 11.947 -3.392 208 HE3 TRP 30 HE3 TRP 30 -0.156 7.674 -1.403 209 HZ2 TRP 30 HZ2 TRP 30 -0.335 11.686 -4.334 210 HZ3 TRP 30 HZ3 TRP 30 -2.188 8.276 -2.660 211 HH2 TRP 30 HH TRP 30 -2.235 10.253 -4.095 212 H ARG 31 HN ARG 31 1.308 5.678 -0.287 213 HA ARG 31 HA ARG 31 -0.334 5.505 -2.702 214 HB2 ARG 31 HB2 ARG 31 0.507 3.043 -1.136 215 HB3 ARG 31 HB1 ARG 31 -0.639 3.072 -2.461 216 HG2 ARG 31 HG2 ARG 31 1.271 3.815 -3.938 217 HG3 ARG 31 HG1 ARG 31 2.336 3.461 -2.576 218 HD2 ARG 31 HD2 ARG 31 1.248 1.162 -2.518 219 HD3 ARG 31 HD1 ARG 31 0.561 1.562 -4.087 220 HE ARG 31 HE ARG 31 3.406 1.155 -3.480 221 HH11 ARG 31 HH11 ARG 31 0.843 1.664 -5.814 222 HH12 ARG 31 HH12 ARG 31 1.790 1.158 -7.176 223 HH21 ARG 31 HH21 ARG 31 4.671 0.468 -5.270 224 HH22 ARG 31 HH22 ARG 31 3.983 0.501 -6.866 225 H CYS 32 HN CYS 32 -2.214 3.873 -1.930 226 HA CYS 32 HA CYS 32 -3.361 5.272 0.387 227 HB2 CYS 32 HB2 CYS 32 -4.779 3.995 -1.978 228 HB3 CYS 32 HB1 CYS 32 -5.534 4.948 -0.705 229 H LEU 33 HN LEU 33 -4.137 4.076 1.989 230 HA LEU 33 HA LEU 33 -3.020 1.549 2.343 231 HB2 LEU 33 HB2 LEU 33 -5.329 2.659 3.889 232 HB3 LEU 33 HB1 LEU 33 -4.152 1.505 4.453 233 HG LEU 33 HG LEU 33 -3.943 4.468 4.153 234 HD11 LEU 33 HD11 LEU 33 -4.601 3.553 6.287 235 HD12 LEU 33 HD12 LEU 33 -2.998 4.280 6.401 236 HD13 LEU 33 HD13 LEU 33 -3.167 2.524 6.314 237 HD21 LEU 33 HD21 LEU 33 -2.015 3.421 2.924 238 HD22 LEU 33 HD22 LEU 33 -1.508 2.737 4.472 239 HD23 LEU 33 HD23 LEU 33 -1.601 4.491 4.264 240 H LEU 34 HN LEU 34 -4.338 -0.377 3.062 241 HA LEU 34 HA LEU 34 -5.653 -1.313 0.799 242 HB2 LEU 34 HB2 LEU 34 -5.522 -2.525 3.547 243 HB3 LEU 34 HB1 LEU 34 -5.887 -3.368 2.051 244 HG LEU 34 HG LEU 34 -3.264 -2.072 2.776 245 HD11 LEU 34 HD11 LEU 34 -3.670 -4.172 3.906 246 HD12 LEU 34 HD12 LEU 34 -2.415 -4.348 2.679 247 HD13 LEU 34 HD13 LEU 34 -4.044 -4.949 2.364 248 HD21 LEU 34 HD21 LEU 34 -4.077 -3.506 0.259 249 HD22 LEU 34 HD22 LEU 34 -2.455 -2.933 0.650 250 HD23 LEU 34 HD23 LEU 34 -3.770 -1.778 0.416 251 H GLY 35 HN GLY 35 -7.726 -1.528 0.292 252 HA2 GLY 35 HA2 GLY 35 -10.013 -1.405 0.492 253 HA3 GLY 35 HA1 GLY 35 -9.822 -1.269 2.238 254 H TYR 36 HN TYR 36 -7.973 0.837 0.274 255 HA TYR 36 HA TYR 36 -9.926 3.006 0.519 256 HB2 TYR 36 HB2 TYR 36 -6.920 3.203 0.890 257 HB3 TYR 36 HB1 TYR 36 -8.040 4.540 0.897 258 HD1 TYR 36 HD1 TYR 36 -6.495 4.759 3.046 259 HD2 TYR 36 HD2 TYR 36 -9.641 1.965 2.621 260 HE1 TYR 36 HE1 TYR 36 -6.665 4.562 5.482 261 HE2 TYR 36 HE2 TYR 36 -9.825 1.754 5.049 262 HH TYR 36 HH TYR 36 -8.254 3.916 7.187 263 H LYS 37 HN LYS 37 -9.330 4.791 -1.053 264 HA LYS 37 HA LYS 37 -8.184 3.691 -3.519 265 HB2 LYS 37 HB2 LYS 37 -10.038 4.825 -4.731 266 HB3 LYS 37 HB1 LYS 37 -10.583 3.507 -3.709 267 HG2 LYS 37 HG2 LYS 37 -11.168 5.193 -1.980 268 HG3 LYS 37 HG1 LYS 37 -10.767 6.454 -3.151 269 HD2 LYS 37 HD2 LYS 37 -12.455 5.566 -4.674 270 HD3 LYS 37 HD1 LYS 37 -12.842 4.302 -3.493 271 HE2 LYS 37 HE2 LYS 37 -13.629 5.938 -1.924 272 HE3 LYS 37 HE1 LYS 37 -13.061 7.264 -2.940 273 HZ1 LYS 37 HZ1 LYS 37 -15.440 6.970 -3.156 274 HZ2 LYS 37 HZ2 LYS 37 -15.234 5.351 -3.618 275 HZ3 LYS 37 HZ3 LYS 37 -14.677 6.596 -4.627 276 H LYS 38 HN LYS 38 -7.861 5.438 -5.140 277 HA LYS 38 HA LYS 38 -6.463 7.660 -3.954 278 HB2 LYS 38 HB2 LYS 38 -5.939 6.262 -6.129 279 HB3 LYS 38 HB1 LYS 38 -7.039 7.410 -6.877 280 HG2 LYS 38 HG2 LYS 38 -4.692 8.063 -7.104 281 HG3 LYS 38 HG1 LYS 38 -5.651 9.253 -6.213 282 HD2 LYS 38 HD2 LYS 38 -4.606 7.314 -4.385 283 HD3 LYS 38 HD1 LYS 38 -3.290 7.976 -5.379 284 HE2 LYS 38 HE2 LYS 38 -5.259 9.526 -3.768 285 HE3 LYS 38 HE1 LYS 38 -3.542 9.266 -3.408 286 HZ1 LYS 38 HZ1 LYS 38 -3.186 10.335 -5.717 287 HZ2 LYS 38 HZ2 LYS 38 -3.571 11.345 -4.420 288 HZ3 LYS 38 HZ3 LYS 38 -4.765 10.928 -5.537 289 H GLY 39 HN GLY 39 -7.207 9.690 -3.666 290 HA2 GLY 39 HA2 GLY 39 -9.946 10.186 -4.621 291 HA3 GLY 39 HA1 GLY 39 -9.120 11.068 -3.343 292 H GLU 40 HN GLU 40 -8.259 12.949 -3.823 293 HA GLU 40 HA GLU 40 -8.053 13.763 -6.628 294 HB2 GLU 40 HB2 GLU 40 -7.694 16.009 -5.772 295 HB3 GLU 40 HB1 GLU 40 -9.118 15.302 -5.026 296 HG2 GLU 40 HG2 GLU 40 -7.795 14.799 -3.025 297 HG3 GLU 40 HG1 GLU 40 -6.401 15.572 -3.774 298 H GLY 41 HN GLY 41 -5.991 15.534 -6.508 299 HA2 GLY 41 HA2 GLY 41 -3.810 14.238 -7.333 300 HA3 GLY 41 HA1 GLY 41 -3.682 15.748 -6.453 301 H ASN 42 HN ASN 42 -3.952 15.324 -3.922 302 HA ASN 42 HA ASN 42 -2.564 12.824 -3.269 303 HB2 ASN 42 HB2 ASN 42 -1.643 14.391 -1.275 304 HB3 ASN 42 HB1 ASN 42 -0.763 14.075 -2.764 305 HD21 ASN 42 HD21 ASN 42 -0.347 15.677 -4.121 306 HD22 ASN 42 HD22 ASN 42 -0.806 17.329 -3.865 307 H THR 43 HN THR 43 -4.850 12.218 -2.955 308 HA THR 43 HA THR 43 -5.165 12.233 -0.078 309 HB THR 43 HB THR 43 -7.689 12.214 -0.352 310 HG1 THR 43 HG1 THR 43 -8.021 13.901 -2.233 311 HG21 THR 43 HG21 THR 43 -7.812 14.636 -0.159 312 HG22 THR 43 HG22 THR 43 -6.159 14.751 -0.767 313 HG23 THR 43 HG23 THR 43 -6.480 13.954 0.776 314 H CYS 44 HN CYS 44 -5.546 10.331 0.682 315 HA CYS 44 HA CYS 44 -6.658 8.310 -1.131 316 HB2 CYS 44 HB2 CYS 44 -4.843 7.943 1.264 317 HB3 CYS 44 HB1 CYS 44 -5.584 6.628 0.349 318 H VAL 45 HN VAL 45 -8.398 7.129 -0.362 319 HA VAL 45 HA VAL 45 -9.607 8.096 2.111 320 HB VAL 45 HB VAL 45 -11.722 8.618 0.972 321 HG11 VAL 45 HG11 VAL 45 -11.121 10.784 0.210 322 HG12 VAL 45 HG12 VAL 45 -9.528 10.244 -0.315 323 HG13 VAL 45 HG13 VAL 45 -9.895 10.357 1.414 324 HG21 VAL 45 HG21 VAL 45 -11.740 8.904 -1.488 325 HG22 VAL 45 HG22 VAL 45 -11.480 7.227 -1.007 326 HG23 VAL 45 HG23 VAL 45 -10.122 8.207 -1.562 327 H GLU 46 HN GLU 46 -11.024 6.748 3.020 328 HA GLU 46 HA GLU 46 -10.930 4.032 2.463 329 HB2 GLU 46 HB2 GLU 46 -12.823 5.771 4.009 330 HB3 GLU 46 HB1 GLU 46 -13.092 4.035 3.897 331 HG2 GLU 46 HG2 GLU 46 -11.068 3.559 5.012 332 HG3 GLU 46 HG1 GLU 46 -10.513 5.229 4.882 333 H ASN 47 HN ASN 47 -11.649 3.065 0.647 334 HA ASN 47 HA ASN 47 -13.566 4.376 -0.986 335 HB2 ASN 47 HB2 ASN 47 -13.290 2.215 -2.310 336 HB3 ASN 47 HB1 ASN 47 -11.936 3.287 -2.245 337 HD21 ASN 47 HD21 ASN 47 -10.621 1.693 -2.825 338 HD22 ASN 47 HD22 ASN 47 -10.194 0.418 -1.780 339 H ASN 48 HN ASN 48 -13.548 1.668 1.192 340 HA ASN 48 HA ASN 48 -15.205 0.593 2.283 341 HB2 ASN 48 HB2 ASN 48 -16.957 2.727 1.055 342 HB3 ASN 48 HB1 ASN 48 -17.533 1.528 2.210 343 HD21 ASN 48 HD21 ASN 48 -15.229 1.473 3.867 344 HD22 ASN 48 HD22 ASN 48 -15.163 2.974 4.719 345 H ASN 49 HN ASN 49 -15.401 1.065 -1.122 346 HA ASN 49 HA ASN 49 -16.429 -1.684 -1.321 347 HB2 ASN 49 HB2 ASN 49 -18.133 0.024 -2.048 348 HB3 ASN 49 HB1 ASN 49 -16.997 0.506 -3.300 349 HD21 ASN 49 HD21 ASN 49 -16.743 -0.773 -5.108 350 HD22 ASN 49 HD22 ASN 49 -17.755 -2.135 -5.451 351 HA PRO 50 HA PRO 50 -12.309 -1.081 -3.483 352 HB2 PRO 50 HB2 PRO 50 -10.913 -2.816 -1.921 353 HB3 PRO 50 HB1 PRO 50 -10.992 -1.084 -1.630 354 HG2 PRO 50 HG2 PRO 50 -12.431 -3.286 -0.289 355 HG3 PRO 50 HG1 PRO 50 -11.834 -1.753 0.367 356 HD2 PRO 50 HD2 PRO 50 -14.453 -2.232 -0.257 357 HD3 PRO 50 HD1 PRO 50 -13.719 -0.635 -0.203 358 H THR 51 HN THR 51 -11.790 -2.368 -5.081 359 HA THR 51 HA THR 51 -12.702 -5.168 -5.017 360 HB THR 51 HB THR 51 -14.033 -3.862 -6.625 361 HG1 THR 51 HG1 THR 51 -12.833 -5.150 -8.578 362 HG21 THR 51 HG21 THR 51 -11.410 -3.321 -8.022 363 HG22 THR 51 HG22 THR 51 -12.356 -2.128 -7.132 364 HG23 THR 51 HG23 THR 51 -13.015 -2.861 -8.594 365 H CYS 52 HN CYS 52 -11.233 -6.706 -5.954 366 HA CYS 52 HA CYS 52 -8.496 -5.726 -6.063 367 HB2 CYS 52 HB2 CYS 52 -9.128 -7.920 -4.957 368 HB3 CYS 52 HB1 CYS 52 -9.524 -8.542 -6.553 369 H ASP 53 HN ASP 53 -7.426 -5.435 -7.951 370 HA ASP 53 HA ASP 53 -7.808 -5.743 -10.536 371 HB2 ASP 53 HB2 ASP 53 -10.283 -5.665 -10.255 372 HB3 ASP 53 HB1 ASP 53 -10.146 -4.050 -9.580 373 H ILE 54 HN ILE 54 -8.655 -3.079 -8.355 374 HA ILE 54 HA ILE 54 -7.190 -1.131 -9.891 375 HB ILE 54 HB ILE 54 -8.440 -0.848 -7.154 376 HG12 ILE 54 HG12 ILE 54 -9.630 -0.107 -9.837 377 HG13 ILE 54 HG11 ILE 54 -10.052 -1.562 -8.938 378 HG21 ILE 54 HG21 ILE 54 -8.337 1.525 -7.547 379 HG22 ILE 54 HG22 ILE 54 -7.718 1.270 -9.177 380 HG23 ILE 54 HG23 ILE 54 -6.723 0.837 -7.780 381 HD11 ILE 54 HD11 ILE 54 -10.445 1.267 -7.992 382 HD12 ILE 54 HD12 ILE 54 -10.899 -0.193 -7.113 383 HD13 ILE 54 HD13 ILE 54 -11.699 0.205 -8.634 384 H ASN 55 HN ASN 55 -5.023 -1.509 -9.800 385 HA ASN 55 HA ASN 55 -2.918 -1.746 -8.938 386 HB2 ASN 55 HB2 ASN 55 -3.709 0.469 -7.932 387 HB3 ASN 55 HB1 ASN 55 -3.999 -0.406 -6.460 388 HD21 ASN 55 HD21 ASN 55 -2.353 -0.867 -5.177 389 HD22 ASN 55 HD22 ASN 55 -0.705 -0.444 -5.465 390 H ASN 56 HN ASN 56 -4.581 -3.927 -8.700 391 HA ASN 56 HA ASN 56 -4.777 -5.951 -7.687 392 HB2 ASN 56 HB2 ASN 56 -2.665 -5.460 -5.656 393 HB3 ASN 56 HB1 ASN 56 -2.890 -6.845 -6.710 394 HD21 ASN 56 HD21 ASN 56 -0.796 -4.700 -5.919 395 HD22 ASN 56 HD22 ASN 56 0.013 -4.452 -7.408 396 H GLY 57 HN GLY 57 -6.379 -3.808 -6.730 397 HA2 GLY 57 HA2 GLY 57 -7.974 -3.661 -5.069 398 HA3 GLY 57 HA1 GLY 57 -7.125 -4.921 -4.190 399 H GLY 58 HN GLY 58 -4.865 -2.642 -4.999 400 HA2 GLY 58 HA2 GLY 58 -4.377 -0.584 -3.788 401 HA3 GLY 58 HA1 GLY 58 -5.252 -1.262 -2.423 402 H CYS 59 HN CYS 59 -3.350 -3.464 -4.107 403 HA CYS 59 HA CYS 59 -1.416 -3.613 -1.901 404 HB2 CYS 59 HB2 CYS 59 -1.876 -5.736 -3.984 405 HB3 CYS 59 HB1 CYS 59 -1.169 -5.909 -2.382 406 H ASP 60 HN ASP 60 0.573 -4.884 -2.814 407 HA ASP 60 HA ASP 60 1.715 -3.254 -4.972 408 HB2 ASP 60 HB2 ASP 60 2.835 -3.602 -2.713 409 HB3 ASP 60 HB1 ASP 60 2.995 -5.297 -3.131 410 HA PRO 61 HA PRO 61 0.887 -6.396 -7.876 411 HB2 PRO 61 HB2 PRO 61 3.607 -6.022 -8.985 412 HB3 PRO 61 HB1 PRO 61 2.039 -5.819 -9.763 413 HG2 PRO 61 HG2 PRO 61 3.616 -3.747 -9.044 414 HG3 PRO 61 HG1 PRO 61 1.848 -3.651 -9.103 415 HD2 PRO 61 HD2 PRO 61 3.655 -3.781 -6.765 416 HD3 PRO 61 HD1 PRO 61 2.038 -3.083 -6.916 417 H THR 62 HN THR 62 3.616 -6.538 -5.835 418 HA THR 62 HA THR 62 4.223 -9.314 -6.463 419 HB THR 62 HB THR 62 6.094 -9.046 -4.954 420 HG1 THR 62 HG1 THR 62 5.303 -6.376 -4.383 421 HG21 THR 62 HG21 THR 62 7.199 -7.076 -5.996 422 HG22 THR 62 HG22 THR 62 5.632 -6.591 -6.661 423 HG23 THR 62 HG23 THR 62 6.383 -8.105 -7.173 424 H ALA 63 HN ALA 63 2.422 -7.387 -4.259 425 HA ALA 63 HA ALA 63 2.015 -9.435 -2.273 426 HB1 ALA 63 HB1 ALA 63 0.290 -7.875 -1.405 427 HB2 ALA 63 HB2 ALA 63 0.573 -6.818 -2.799 428 HB3 ALA 63 HB3 ALA 63 1.863 -7.099 -1.621 429 H SER 64 HN SER 64 0.796 -11.180 -2.663 430 HA SER 64 HA SER 64 -1.037 -11.507 -4.732 431 HB2 SER 64 HB2 SER 64 -0.261 -12.891 -2.262 432 HB3 SER 64 HB1 SER 64 -1.865 -13.254 -2.849 433 HG SER 64 HG SER 64 -0.220 -14.650 -3.695 434 H CYS 65 HN CYS 65 -2.971 -10.589 -4.998 435 HA CYS 65 HA CYS 65 -4.252 -9.390 -2.661 436 HB2 CYS 65 HB2 CYS 65 -3.958 -7.734 -4.312 437 HB3 CYS 65 HB1 CYS 65 -4.477 -8.821 -5.596 438 H GLN 66 HN GLN 66 -6.180 -9.891 -2.000 439 HA GLN 66 HA GLN 66 -7.867 -11.733 -3.569 440 HB2 GLN 66 HB2 GLN 66 -7.946 -11.712 -0.575 441 HB3 GLN 66 HB1 GLN 66 -8.370 -13.010 -1.681 442 HG2 GLN 66 HG2 GLN 66 -5.553 -12.157 -1.590 443 HG3 GLN 66 HG1 GLN 66 -6.173 -13.023 -0.199 444 HE21 GLN 66 HE21 GLN 66 -6.727 -15.178 -0.398 445 HE22 GLN 66 HE22 GLN 66 -6.308 -16.127 -1.784 446 H ASN 67 HN ASN 67 -9.908 -10.890 -3.885 447 HA ASN 67 HA ASN 67 -10.644 -8.605 -2.240 448 HB2 ASN 67 HB2 ASN 67 -12.770 -8.694 -3.789 449 HB3 ASN 67 HB1 ASN 67 -11.275 -7.956 -4.309 450 HD21 ASN 67 HD21 ASN 67 -11.852 -11.405 -4.119 451 HD22 ASN 67 HD22 ASN 67 -11.780 -11.682 -5.824 452 H ALA 68 HN ALA 68 -12.013 -8.600 -0.733 453 HA ALA 68 HA ALA 68 -13.715 -10.917 -0.183 454 HB1 ALA 68 HB1 ALA 68 -11.716 -11.468 0.997 455 HB2 ALA 68 HB2 ALA 68 -12.876 -10.871 2.188 456 HB3 ALA 68 HB3 ALA 68 -11.566 -9.826 1.622 457 H GLU 69 HN GLU 69 -15.061 -10.431 1.777 458 HA GLU 69 HA GLU 69 -15.853 -7.610 1.709 459 HB2 GLU 69 HB2 GLU 69 -17.514 -10.110 1.591 460 HB3 GLU 69 HB1 GLU 69 -18.210 -8.548 2.025 461 HG2 GLU 69 HG2 GLU 69 -17.554 -7.644 -0.129 462 HG3 GLU 69 HG1 GLU 69 -16.759 -9.161 -0.546 463 H SER 70 HN SER 70 -16.194 -6.655 3.592 464 HA SER 70 HA SER 70 -16.803 -8.087 5.999 465 HB2 SER 70 HB2 SER 70 -14.340 -8.468 5.823 466 HB3 SER 70 HB1 SER 70 -14.097 -6.724 5.770 467 HG SER 70 HG SER 70 -14.214 -8.229 7.908 468 H THR 71 HN THR 71 -16.872 -6.441 7.890 469 HA THR 71 HA THR 71 -18.097 -4.015 7.013 470 HB THR 71 HB THR 71 -18.777 -4.904 9.137 471 HG1 THR 71 HG1 THR 71 -17.855 -2.424 8.871 472 HG21 THR 71 HG21 THR 71 -16.758 -6.149 9.689 473 HG22 THR 71 HG22 THR 71 -17.248 -5.124 11.043 474 HG23 THR 71 HG23 THR 71 -15.900 -4.640 10.011 475 H GLU 72 HN GLU 72 -14.960 -5.077 7.907 476 HA GLU 72 HA GLU 72 -13.696 -2.504 7.986 477 HB2 GLU 72 HB2 GLU 72 -12.932 -5.353 8.237 478 HB3 GLU 72 HB1 GLU 72 -11.663 -4.229 7.790 479 HG2 GLU 72 HG2 GLU 72 -13.436 -3.827 10.172 480 HG3 GLU 72 HG1 GLU 72 -11.927 -4.745 10.237 481 H ASN 73 HN ASN 73 -13.168 -1.371 6.237 482 HA ASN 73 HA ASN 73 -13.236 -2.433 3.590 483 HB2 ASN 73 HB2 ASN 73 -12.009 -0.202 3.053 484 HB3 ASN 73 HB1 ASN 73 -13.652 -0.123 3.659 485 HD21 ASN 73 HD21 ASN 73 -13.456 1.923 4.480 486 HD22 ASN 73 HD22 ASN 73 -12.480 2.313 5.854 487 H SER 74 HN SER 74 -10.623 -1.796 5.886 488 HA SER 74 HA SER 74 -8.527 -2.384 4.049 489 HB2 SER 74 HB2 SER 74 -8.143 -1.013 6.062 490 HB3 SER 74 HB1 SER 74 -8.505 -2.403 7.082 491 HG SER 74 HG SER 74 -6.163 -1.715 6.099 492 H LYS 75 HN LYS 75 -10.676 -4.259 5.907 493 HA LYS 75 HA LYS 75 -9.029 -6.649 5.802 494 HB2 LYS 75 HB2 LYS 75 -10.410 -5.997 7.804 495 HB3 LYS 75 HB1 LYS 75 -11.841 -6.344 6.849 496 HG2 LYS 75 HG2 LYS 75 -11.245 -8.145 8.368 497 HG3 LYS 75 HG1 LYS 75 -11.184 -8.659 6.677 498 HD2 LYS 75 HD2 LYS 75 -9.263 -9.397 8.173 499 HD3 LYS 75 HD1 LYS 75 -8.825 -8.636 6.645 500 HE2 LYS 75 HE2 LYS 75 -8.467 -6.528 7.796 501 HE3 LYS 75 HE1 LYS 75 -8.941 -7.262 9.327 502 HZ1 LYS 75 HZ1 LYS 75 -6.538 -7.128 9.114 503 HZ2 LYS 75 HZ2 LYS 75 -6.585 -8.047 7.689 504 HZ3 LYS 75 HZ3 LYS 75 -7.040 -8.748 9.164 505 H LYS 76 HN LYS 76 -10.835 -5.041 3.655 506 HA LYS 76 HA LYS 76 -12.305 -7.257 2.574 507 HB2 LYS 76 HB2 LYS 76 -11.747 -4.571 1.364 508 HB3 LYS 76 HB1 LYS 76 -12.830 -5.786 0.709 509 HG2 LYS 76 HG2 LYS 76 -14.146 -5.610 2.838 510 HG3 LYS 76 HG1 LYS 76 -13.144 -4.212 3.236 511 HD2 LYS 76 HD2 LYS 76 -13.820 -3.488 0.789 512 HD3 LYS 76 HD1 LYS 76 -15.177 -4.554 1.109 513 HE2 LYS 76 HE2 LYS 76 -14.390 -2.056 2.573 514 HE3 LYS 76 HE1 LYS 76 -15.863 -2.371 1.664 515 HZ1 LYS 76 HZ1 LYS 76 -16.396 -4.126 3.322 516 HZ2 LYS 76 HZ2 LYS 76 -16.414 -2.546 3.935 517 HZ3 LYS 76 HZ3 LYS 76 -15.100 -3.568 4.263 518 H ILE 77 HN ILE 77 -9.550 -5.276 1.573 519 HA ILE 77 HA ILE 77 -8.932 -7.232 -0.496 520 HB ILE 77 HB ILE 77 -7.604 -4.580 0.063 521 HG12 ILE 77 HG12 ILE 77 -9.897 -4.234 -0.656 522 HG13 ILE 77 HG11 ILE 77 -8.801 -3.822 -1.977 523 HG21 ILE 77 HG21 ILE 77 -6.664 -4.843 -2.200 524 HG22 ILE 77 HG22 ILE 77 -7.333 -6.474 -2.257 525 HG23 ILE 77 HG23 ILE 77 -6.091 -6.072 -1.069 526 HD11 ILE 77 HD11 ILE 77 -9.259 -5.914 -3.067 527 HD12 ILE 77 HD12 ILE 77 -10.776 -5.076 -2.716 528 HD13 ILE 77 HD13 ILE 77 -10.259 -6.438 -1.711 529 H ILE 78 HN ILE 78 -7.664 -8.811 -0.041 530 HA ILE 78 HA ILE 78 -5.852 -8.656 2.239 531 HB ILE 78 HB ILE 78 -6.595 -11.004 0.492 532 HG12 ILE 78 HG12 ILE 78 -7.617 -11.747 2.761 533 HG13 ILE 78 HG11 ILE 78 -7.557 -10.038 3.164 534 HG21 ILE 78 HG21 ILE 78 -5.456 -12.385 2.135 535 HG22 ILE 78 HG22 ILE 78 -4.968 -10.937 3.020 536 HG23 ILE 78 HG23 ILE 78 -4.350 -11.228 1.393 537 HD11 ILE 78 HD11 ILE 78 -8.952 -9.518 1.247 538 HD12 ILE 78 HD12 ILE 78 -9.744 -10.691 2.303 539 HD13 ILE 78 HD13 ILE 78 -8.987 -11.225 0.802 540 H CYS 79 HN CYS 79 -3.882 -7.960 1.884 541 HA CYS 79 HA CYS 79 -2.598 -8.576 -0.680 542 HB2 CYS 79 HB2 CYS 79 -1.806 -6.396 1.246 543 HB3 CYS 79 HB1 CYS 79 -1.286 -6.605 -0.422 544 H THR 80 HN THR 80 -1.242 -10.182 -0.533 545 HA THR 80 HA THR 80 0.245 -10.609 1.968 546 HB THR 80 HB THR 80 -0.789 -12.621 -0.038 547 HG1 THR 80 HG1 THR 80 -1.541 -11.788 2.523 548 HG21 THR 80 HG21 THR 80 0.203 -14.336 1.455 549 HG22 THR 80 HG22 THR 80 1.012 -13.049 2.349 550 HG23 THR 80 HG23 THR 80 1.412 -13.332 0.651 551 H CYS 81 HN CYS 81 2.330 -10.082 1.711 552 HA CYS 81 HA CYS 81 3.499 -9.998 -0.927 553 HB2 CYS 81 HB2 CYS 81 4.947 -9.554 1.684 554 HB3 CYS 81 HB1 CYS 81 5.347 -8.919 0.094 555 H LYS 82 HN LYS 82 5.385 -11.190 -1.520 556 HA LYS 82 HA LYS 82 4.953 -13.936 -0.844 557 HB2 LYS 82 HB2 LYS 82 6.973 -12.781 -2.748 558 HB3 LYS 82 HB1 LYS 82 6.409 -14.444 -2.690 559 HG2 LYS 82 HG2 LYS 82 4.906 -11.997 -3.519 560 HG3 LYS 82 HG1 LYS 82 5.326 -13.400 -4.500 561 HD2 LYS 82 HD2 LYS 82 3.819 -14.777 -3.161 562 HD3 LYS 82 HD1 LYS 82 3.421 -13.380 -2.162 563 HE2 LYS 82 HE2 LYS 82 1.673 -13.516 -3.702 564 HE3 LYS 82 HE1 LYS 82 2.731 -12.245 -4.319 565 HZ1 LYS 82 HZ1 LYS 82 3.684 -13.822 -5.876 566 HZ2 LYS 82 HZ2 LYS 82 2.000 -13.748 -6.077 567 HZ3 LYS 82 HZ3 LYS 82 2.698 -15.062 -5.267 568 H GLU 83 HN GLU 83 7.124 -15.315 -0.940 569 HA GLU 83 HA GLU 83 8.394 -15.053 1.510 570 HB2 GLU 83 HB2 GLU 83 9.390 -16.514 -0.925 571 HB3 GLU 83 HB1 GLU 83 9.935 -16.774 0.724 572 HG2 GLU 83 HG2 GLU 83 7.635 -17.419 1.327 573 HG3 GLU 83 HG1 GLU 83 7.180 -17.266 -0.366 574 HA PRO 84 HA PRO 84 12.243 -13.120 -0.562 575 HB2 PRO 84 HB2 PRO 84 12.069 -11.851 -2.908 576 HB3 PRO 84 HB1 PRO 84 12.276 -13.603 -2.832 577 HG2 PRO 84 HG2 PRO 84 9.813 -12.008 -3.359 578 HG3 PRO 84 HG1 PRO 84 10.349 -13.524 -4.105 579 HD2 PRO 84 HD2 PRO 84 8.479 -13.322 -2.078 580 HD3 PRO 84 HD1 PRO 84 9.406 -14.782 -2.461 581 H THR 85 HN THR 85 9.326 -11.943 0.051 582 HA THR 85 HA THR 85 10.288 -9.198 0.390 583 HB THR 85 HB THR 85 8.113 -8.316 -0.155 584 HG1 THR 85 HG1 THR 85 7.233 -10.700 0.500 585 HG21 THR 85 HG21 THR 85 9.051 -10.361 -2.169 586 HG22 THR 85 HG22 THR 85 9.429 -8.633 -2.113 587 HG23 THR 85 HG23 THR 85 7.797 -9.163 -2.509 588 HA PRO 86 HA PRO 86 9.070 -11.367 4.332 589 HB2 PRO 86 HB2 PRO 86 11.331 -9.846 5.433 590 HB3 PRO 86 HB1 PRO 86 11.035 -11.585 5.478 591 HG2 PRO 86 HG2 PRO 86 12.968 -10.540 3.965 592 HG3 PRO 86 HG1 PRO 86 12.000 -11.916 3.396 593 HD2 PRO 86 HD2 PRO 86 11.729 -9.000 2.732 594 HD3 PRO 86 HD1 PRO 86 11.699 -10.411 1.650 595 H ASN 87 HN ASN 87 9.216 -8.208 3.294 596 HA ASN 87 HA ASN 87 7.974 -7.174 5.734 597 HB2 ASN 87 HB2 ASN 87 9.849 -5.665 3.917 598 HB3 ASN 87 HB1 ASN 87 9.162 -5.100 5.418 599 HD21 ASN 87 HD21 ASN 87 11.710 -6.776 3.933 600 HD22 ASN 87 HD22 ASN 87 12.559 -7.274 5.360 601 H ALA 88 HN ALA 88 6.172 -5.925 5.410 602 HA ALA 88 HA ALA 88 5.517 -5.231 2.616 603 HB1 ALA 88 HB1 ALA 88 3.614 -5.780 4.897 604 HB2 ALA 88 HB2 ALA 88 3.962 -6.871 3.553 605 HB3 ALA 88 HB3 ALA 88 3.162 -5.329 3.252 606 H TYR 89 HN TYR 89 4.638 -3.127 2.254 607 HA TYR 89 HA TYR 89 5.245 -1.360 4.480 608 HB2 TYR 89 HB2 TYR 89 5.757 -1.087 1.625 609 HB3 TYR 89 HB1 TYR 89 5.125 0.397 2.356 610 HD1 TYR 89 HD1 TYR 89 7.637 -2.240 2.721 611 HD2 TYR 89 HD2 TYR 89 6.383 1.630 3.928 612 HE1 TYR 89 HE1 TYR 89 9.669 -2.003 4.021 613 HE2 TYR 89 HE2 TYR 89 8.449 1.894 5.241 614 HH TYR 89 HH TYR 89 10.072 0.360 6.357 615 H TYR 90 HN TYR 90 3.939 -0.354 5.534 616 HA TYR 90 HA TYR 90 2.005 -0.046 6.580 617 HB2 TYR 90 HB2 TYR 90 1.530 0.935 3.932 618 HB3 TYR 90 HB1 TYR 90 0.053 0.211 4.557 619 HD1 TYR 90 HD1 TYR 90 2.344 2.952 4.787 620 HD2 TYR 90 HD2 TYR 90 -0.841 0.981 6.777 621 HE1 TYR 90 HE1 TYR 90 2.065 4.905 6.235 622 HE2 TYR 90 HE2 TYR 90 -1.158 2.943 8.230 623 HH TYR 90 HH TYR 90 0.436 5.950 7.604 624 H GLU 91 HN GLU 91 -0.564 -1.092 4.973 625 HA GLU 91 HA GLU 91 -0.505 -3.476 6.591 626 HB2 GLU 91 HB2 GLU 91 -2.751 -2.699 4.760 627 HB3 GLU 91 HB1 GLU 91 -2.825 -3.570 6.287 628 HG2 GLU 91 HG2 GLU 91 -1.969 -1.415 7.357 629 HG3 GLU 91 HG1 GLU 91 -2.368 -0.647 5.820 630 H GLY 92 HN GLY 92 0.869 -3.051 3.769 631 HA2 GLY 92 HA2 GLY 92 1.564 -5.117 2.560 632 HA3 GLY 92 HA1 GLY 92 -0.146 -5.541 2.529 633 H VAL 93 HN VAL 93 0.608 -2.242 2.211 634 HA VAL 93 HA VAL 93 -0.647 -2.118 -0.331 635 HB VAL 93 HB VAL 93 0.783 0.117 1.150 636 HG11 VAL 93 HG11 VAL 93 -0.780 1.549 -0.030 637 HG12 VAL 93 HG12 VAL 93 -1.476 0.142 -0.830 638 HG13 VAL 93 HG13 VAL 93 0.196 0.606 -1.153 639 HG21 VAL 93 HG21 VAL 93 -2.074 -0.819 1.443 640 HG22 VAL 93 HG22 VAL 93 -1.387 0.635 2.169 641 HG23 VAL 93 HG23 VAL 93 -0.801 -0.957 2.657 642 H PHE 94 HN PHE 94 2.670 -1.917 0.835 643 HA PHE 94 HA PHE 94 3.484 -2.363 -1.954 644 HB2 PHE 94 HB2 PHE 94 5.476 -1.201 -0.080 645 HB3 PHE 94 HB1 PHE 94 5.400 -1.087 -1.821 646 HD1 PHE 94 HD1 PHE 94 3.229 0.021 1.004 647 HD2 PHE 94 HD2 PHE 94 5.294 1.042 -2.555 648 HE1 PHE 94 HE1 PHE 94 2.606 2.375 1.335 649 HE2 PHE 94 HE2 PHE 94 4.653 3.393 -2.258 650 HZ PHE 94 HZ PHE 94 3.349 4.061 -0.289 651 H CYS 95 HN CYS 95 5.312 -3.791 -2.201 652 HA CYS 95 HA CYS 95 6.610 -4.800 0.199 653 HB2 CYS 95 HB2 CYS 95 5.876 -6.932 -1.753 654 HB3 CYS 95 HB1 CYS 95 6.138 -7.029 -0.009 655 H SER 96 HN SER 96 8.769 -5.384 -0.240 656 HA SER 96 HA SER 96 9.654 -4.760 -2.983 657 HB2 SER 96 HB2 SER 96 10.426 -3.383 -0.903 658 HB3 SER 96 HB1 SER 96 11.478 -4.764 -0.598 659 HG SER 96 HG SER 96 11.805 -2.756 -2.334 660 H SER 97 HN SER 97 10.820 -6.246 -4.117 661 HA SER 97 HA SER 97 10.907 -8.899 -2.905 662 HB2 SER 97 HB2 SER 97 11.174 -8.149 -5.816 663 HB3 SER 97 HB1 SER 97 10.910 -9.763 -5.162 664 HG SER 97 HG SER 97 9.123 -7.549 -4.978 665 H SER 98 HN SER 98 12.603 -10.349 -3.310 666 HA SER 98 HA SER 98 14.722 -11.097 -3.493 667 HB2 SER 98 HB2 SER 98 14.734 -9.859 -5.671 668 HB3 SER 98 HB1 SER 98 15.404 -8.467 -4.819 669 HG SER 98 HG SER 98 16.734 -10.851 -4.380 670 H SER 99 HN SER 99 14.494 -10.815 -1.148 671 HA SER 99 HA SER 99 16.082 -8.622 -0.040 672 HB2 SER 99 HB2 SER 99 15.066 -9.388 2.139 673 HB3 SER 99 HB1 SER 99 13.895 -8.855 0.930 674 HG SER 99 HG SER 99 14.586 -11.558 0.944 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 15.785 -4.982 -6.096 2 H2 GLY 1 HT2 GLY 1 17.063 -5.926 -5.506 3 H3 GLY 1 HT3 GLY 1 16.768 -4.398 -4.840 4 HA2 GLY 1 HA2 GLY 1 15.017 -6.784 -4.637 5 HA3 GLY 1 HA1 GLY 1 14.592 -5.184 -4.044 6 H VAL 2 HN VAL 2 14.436 -5.906 -1.908 7 HA VAL 2 HA VAL 2 16.585 -7.123 -0.514 8 HB VAL 2 HB VAL 2 17.446 -4.748 -1.078 9 HG11 VAL 2 HG11 VAL 2 15.406 -3.538 -0.553 10 HG12 VAL 2 HG12 VAL 2 16.742 -2.980 0.456 11 HG13 VAL 2 HG13 VAL 2 15.514 -4.053 1.131 12 HG21 VAL 2 HG21 VAL 2 17.433 -5.482 1.837 13 HG22 VAL 2 HG22 VAL 2 18.681 -4.618 0.941 14 HG23 VAL 2 HG23 VAL 2 18.389 -6.327 0.623 15 H ASP 3 HN ASP 3 16.170 -6.740 1.983 16 HA ASP 3 HA ASP 3 13.507 -7.388 2.540 17 HB2 ASP 3 HB2 ASP 3 14.140 -7.051 4.941 18 HB3 ASP 3 HB1 ASP 3 15.178 -8.154 4.050 19 HA PRO 4 HA PRO 4 11.657 -3.532 1.681 20 HB2 PRO 4 HB2 PRO 4 9.298 -4.334 3.006 21 HB3 PRO 4 HB1 PRO 4 9.642 -4.341 1.284 22 HG2 PRO 4 HG2 PRO 4 9.693 -6.533 3.225 23 HG3 PRO 4 HG1 PRO 4 9.521 -6.594 1.467 24 HD2 PRO 4 HD2 PRO 4 11.752 -7.371 2.796 25 HD3 PRO 4 HD1 PRO 4 11.762 -6.750 1.142 26 H LYS 5 HN LYS 5 12.605 -4.254 4.847 27 HA LYS 5 HA LYS 5 10.811 -2.590 6.301 28 HB2 LYS 5 HB2 LYS 5 12.551 -2.672 8.112 29 HB3 LYS 5 HB1 LYS 5 11.929 -4.210 7.569 30 HG2 LYS 5 HG2 LYS 5 14.306 -4.380 7.928 31 HG3 LYS 5 HG1 LYS 5 13.978 -4.514 6.201 32 HD2 LYS 5 HD2 LYS 5 14.720 -2.283 5.805 33 HD3 LYS 5 HD1 LYS 5 14.783 -1.928 7.531 34 HE2 LYS 5 HE2 LYS 5 16.523 -3.946 6.123 35 HE3 LYS 5 HE1 LYS 5 17.009 -2.295 6.498 36 HZ1 LYS 5 HZ1 LYS 5 16.760 -2.766 8.839 37 HZ2 LYS 5 HZ2 LYS 5 17.812 -3.898 8.136 38 HZ3 LYS 5 HZ3 LYS 5 16.217 -4.341 8.507 39 H HIS 6 HN HIS 6 12.497 -1.266 3.996 40 HA HIS 6 HA HIS 6 14.195 0.493 5.524 41 HB2 HIS 6 HB2 HIS 6 14.623 1.482 3.131 42 HB3 HIS 6 HB1 HIS 6 15.360 -0.031 3.646 43 HD1 HIS 6 HD1 HIS 6 14.120 -2.252 2.698 44 HD2 HIS 6 HD2 HIS 6 13.187 1.356 0.895 45 HE1 HIS 6 HE1 HIS 6 12.926 -2.841 0.562 46 HE2 HIS 6 HE2 HIS 6 12.666 -0.661 -0.640 47 H VAL 7 HN VAL 7 11.071 0.623 5.224 48 HA VAL 7 HA VAL 7 9.479 2.185 5.541 49 HB VAL 7 HB VAL 7 9.942 3.791 7.243 50 HG11 VAL 7 HG11 VAL 7 11.502 1.224 7.586 51 HG12 VAL 7 HG12 VAL 7 9.806 1.513 7.975 52 HG13 VAL 7 HG13 VAL 7 11.070 2.314 8.908 53 HG21 VAL 7 HG21 VAL 7 11.978 4.813 6.393 54 HG22 VAL 7 HG22 VAL 7 12.879 3.330 6.711 55 HG23 VAL 7 HG23 VAL 7 12.216 4.261 8.053 56 H CYS 8 HN CYS 8 9.721 5.060 5.882 57 HA CYS 8 HA CYS 8 10.447 6.042 3.219 58 HB2 CYS 8 HB2 CYS 8 8.183 6.812 2.760 59 HB3 CYS 8 HB1 CYS 8 8.127 5.100 3.080 60 H VAL 9 HN VAL 9 10.637 8.209 3.053 61 HA VAL 9 HA VAL 9 9.488 9.974 5.040 62 HB VAL 9 HB VAL 9 11.689 11.340 4.932 63 HG11 VAL 9 HG11 VAL 9 12.628 10.233 6.877 64 HG12 VAL 9 HG12 VAL 9 11.714 8.771 6.508 65 HG13 VAL 9 HG13 VAL 9 10.866 10.244 6.984 66 HG21 VAL 9 HG21 VAL 9 12.770 10.031 3.186 67 HG22 VAL 9 HG22 VAL 9 12.755 8.605 4.226 68 HG23 VAL 9 HG23 VAL 9 13.738 10.007 4.665 69 H ASP 10 HN ASP 10 8.154 10.824 3.539 70 HA ASP 10 HA ASP 10 9.314 11.684 0.991 71 HB2 ASP 10 HB2 ASP 10 8.281 9.496 0.681 72 HB3 ASP 10 HB1 ASP 10 6.773 10.101 1.327 73 H THR 11 HN THR 11 7.933 13.164 -0.218 74 HA THR 11 HA THR 11 6.474 14.888 -0.514 75 HB THR 11 HB THR 11 5.091 12.429 0.361 76 HG1 THR 11 HG1 THR 11 5.611 12.103 -1.635 77 HG21 THR 11 HG21 THR 11 3.703 14.976 -0.424 78 HG22 THR 11 HG22 THR 11 3.479 14.015 1.045 79 HG23 THR 11 HG23 THR 11 2.952 13.379 -0.516 80 H ARG 12 HN ARG 12 5.866 16.678 0.295 81 HA ARG 12 HA ARG 12 6.241 17.484 2.887 82 HB2 ARG 12 HB2 ARG 12 4.146 18.846 1.302 83 HB3 ARG 12 HB1 ARG 12 5.426 19.543 2.272 84 HG2 ARG 12 HG2 ARG 12 5.694 18.294 -0.450 85 HG3 ARG 12 HG1 ARG 12 5.832 20.000 -0.043 86 HD2 ARG 12 HD2 ARG 12 7.818 19.500 1.321 87 HD3 ARG 12 HD1 ARG 12 7.675 17.792 0.881 88 HE ARG 12 HE ARG 12 8.027 18.541 -1.468 89 HH11 ARG 12 HH11 ARG 12 9.172 20.505 1.199 90 HH12 ARG 12 HH12 ARG 12 10.413 21.270 0.253 91 HH21 ARG 12 HH21 ARG 12 9.665 19.530 -2.696 92 HH22 ARG 12 HH22 ARG 12 10.693 20.728 -1.962 93 H ASP 13 HN ASP 13 3.259 16.372 1.387 94 HA ASP 13 HA ASP 13 2.237 15.734 4.036 95 HB2 ASP 13 HB2 ASP 13 1.375 18.030 3.369 96 HB3 ASP 13 HB1 ASP 13 0.502 17.230 2.067 97 H ILE 14 HN ILE 14 2.578 13.567 3.424 98 HA ILE 14 HA ILE 14 1.297 12.413 1.159 99 HB ILE 14 HB ILE 14 2.279 11.120 3.714 100 HG12 ILE 14 HG12 ILE 14 3.617 10.438 1.249 101 HG13 ILE 14 HG11 ILE 14 3.615 12.180 1.512 102 HG21 ILE 14 HG21 ILE 14 1.118 9.881 1.239 103 HG22 ILE 14 HG22 ILE 14 0.673 9.596 2.923 104 HG23 ILE 14 HG23 ILE 14 2.232 9.005 2.303 105 HD11 ILE 14 HD11 ILE 14 4.580 10.104 3.445 106 HD12 ILE 14 HD12 ILE 14 4.589 11.854 3.691 107 HD13 ILE 14 HD13 ILE 14 5.588 11.138 2.429 108 HA PRO 15 HA PRO 15 -2.827 12.960 2.071 109 HB2 PRO 15 HB2 PRO 15 -3.026 10.181 0.997 110 HB3 PRO 15 HB1 PRO 15 -3.974 11.605 0.577 111 HG2 PRO 15 HG2 PRO 15 -2.111 10.878 -1.061 112 HG3 PRO 15 HG1 PRO 15 -2.162 12.589 -0.582 113 HD2 PRO 15 HD2 PRO 15 -0.419 10.387 0.447 114 HD3 PRO 15 HD1 PRO 15 0.040 12.025 -0.026 115 H LYS 16 HN LYS 16 -4.321 12.546 3.635 116 HA LYS 16 HA LYS 16 -3.903 10.697 5.704 117 HB2 LYS 16 HB2 LYS 16 -5.369 12.683 5.859 118 HB3 LYS 16 HB1 LYS 16 -6.477 11.939 4.715 119 HG2 LYS 16 HG2 LYS 16 -7.292 11.726 6.970 120 HG3 LYS 16 HG1 LYS 16 -6.894 10.146 6.299 121 HD2 LYS 16 HD2 LYS 16 -4.796 10.122 7.511 122 HD3 LYS 16 HD1 LYS 16 -5.112 11.745 8.131 123 HE2 LYS 16 HE2 LYS 16 -7.065 10.924 9.329 124 HE3 LYS 16 HE1 LYS 16 -6.811 9.308 8.671 125 HZ1 LYS 16 HZ1 LYS 16 -5.986 9.594 10.962 126 HZ2 LYS 16 HZ2 LYS 16 -4.865 10.733 10.403 127 HZ3 LYS 16 HZ3 LYS 16 -4.770 9.122 9.878 128 H ASN 17 HN ASN 17 -4.760 8.636 5.991 129 HA ASN 17 HA ASN 17 -5.478 6.538 5.407 130 HB2 ASN 17 HB2 ASN 17 -6.792 7.752 2.966 131 HB3 ASN 17 HB1 ASN 17 -7.154 6.200 3.712 132 HD21 ASN 17 HD21 ASN 17 -7.416 9.620 3.958 133 HD22 ASN 17 HD22 ASN 17 -8.723 9.652 5.109 134 H ALA 18 HN ALA 18 -3.292 8.286 3.977 135 HA ALA 18 HA ALA 18 -2.479 6.165 2.113 136 HB1 ALA 18 HB1 ALA 18 -1.673 9.074 1.948 137 HB2 ALA 18 HB2 ALA 18 -2.951 8.329 0.986 138 HB3 ALA 18 HB3 ALA 18 -1.283 7.788 0.801 139 H GLY 19 HN GLY 19 -0.245 5.767 1.991 140 HA2 GLY 19 HA2 GLY 19 1.379 6.808 4.208 141 HA3 GLY 19 HA1 GLY 19 1.269 5.068 3.955 142 H CYS 20 HN CYS 20 3.697 6.437 3.888 143 HA CYS 20 HA CYS 20 4.301 6.642 1.037 144 HB2 CYS 20 HB2 CYS 20 6.258 7.970 1.782 145 HB3 CYS 20 HB1 CYS 20 4.738 8.693 2.222 146 H PHE 21 HN PHE 21 6.124 5.621 0.224 147 HA PHE 21 HA PHE 21 7.733 4.300 2.216 148 HB2 PHE 21 HB2 PHE 21 6.085 2.635 1.596 149 HB3 PHE 21 HB1 PHE 21 6.670 2.701 -0.069 150 HD1 PHE 21 HD1 PHE 21 8.885 1.861 -0.621 151 HD2 PHE 21 HD2 PHE 21 7.388 1.666 3.350 152 HE1 PHE 21 HE1 PHE 21 10.685 0.335 -0.014 153 HE2 PHE 21 HE2 PHE 21 9.209 0.133 3.966 154 HZ PHE 21 HZ PHE 21 10.873 -0.523 2.272 155 H ARG 22 HN ARG 22 9.791 4.087 1.811 156 HA ARG 22 HA ARG 22 10.782 5.318 -0.670 157 HB2 ARG 22 HB2 ARG 22 11.086 6.706 1.310 158 HB3 ARG 22 HB1 ARG 22 11.881 5.393 2.146 159 HG2 ARG 22 HG2 ARG 22 13.812 5.643 0.961 160 HG3 ARG 22 HG1 ARG 22 13.003 6.367 -0.421 161 HD2 ARG 22 HD2 ARG 22 12.509 8.071 1.724 162 HD3 ARG 22 HD1 ARG 22 14.207 7.618 1.872 163 HE ARG 22 HE ARG 22 13.324 8.373 -0.776 164 HH11 ARG 22 HH11 ARG 22 14.834 9.414 2.201 165 HH12 ARG 22 HH12 ARG 22 15.522 10.853 1.508 166 HH21 ARG 22 HH21 ARG 22 14.235 10.272 -1.703 167 HH22 ARG 22 HH22 ARG 22 15.192 11.329 -0.717 168 H ASP 23 HN ASP 23 12.013 4.000 -1.910 169 HA ASP 23 HA ASP 23 12.417 1.334 -0.787 170 HB2 ASP 23 HB2 ASP 23 12.169 0.437 -2.827 171 HB3 ASP 23 HB1 ASP 23 11.370 1.978 -3.170 172 H ASP 24 HN ASP 24 14.333 0.136 -1.954 173 HA ASP 24 HA ASP 24 16.640 1.056 -0.620 174 HB2 ASP 24 HB2 ASP 24 16.091 -1.305 -0.949 175 HB3 ASP 24 HB1 ASP 24 16.287 -1.107 -2.683 176 H ASP 25 HN ASP 25 15.504 1.331 -3.909 177 HA ASP 25 HA ASP 25 18.011 2.106 -5.058 178 HB2 ASP 25 HB2 ASP 25 16.154 1.150 -6.386 179 HB3 ASP 25 HB1 ASP 25 15.188 2.579 -6.050 180 H GLY 26 HN GLY 26 15.717 3.678 -3.095 181 HA2 GLY 26 HA2 GLY 26 16.229 5.798 -2.096 182 HA3 GLY 26 HA1 GLY 26 17.072 6.251 -3.572 183 H THR 27 HN THR 27 14.195 4.638 -4.174 184 HA THR 27 HA THR 27 12.989 7.014 -5.286 185 HB THR 27 HB THR 27 11.705 4.314 -5.087 186 HG1 THR 27 HG1 THR 27 13.620 3.738 -5.937 187 HG21 THR 27 HG21 THR 27 11.611 6.426 -7.240 188 HG22 THR 27 HG22 THR 27 10.365 6.134 -6.026 189 HG23 THR 27 HG23 THR 27 10.719 4.905 -7.238 190 H GLU 28 HN GLU 28 11.002 7.883 -4.685 191 HA GLU 28 HA GLU 28 9.857 6.766 -2.271 192 HB2 GLU 28 HB2 GLU 28 11.040 9.396 -2.542 193 HB3 GLU 28 HB1 GLU 28 9.398 9.419 -1.878 194 HG2 GLU 28 HG2 GLU 28 11.343 7.399 -0.951 195 HG3 GLU 28 HG1 GLU 28 11.433 9.013 -0.289 196 H GLU 29 HN GLU 29 7.811 6.843 -1.971 197 HA GLU 29 HA GLU 29 6.025 7.867 -4.014 198 HB2 GLU 29 HB2 GLU 29 6.837 5.702 -4.944 199 HB3 GLU 29 HB1 GLU 29 6.280 4.901 -3.483 200 HG2 GLU 29 HG2 GLU 29 4.598 4.493 -5.002 201 HG3 GLU 29 HG1 GLU 29 3.981 5.847 -4.067 202 H TRP 30 HN TRP 30 3.864 7.746 -3.314 203 HA TRP 30 HA TRP 30 3.470 6.458 -0.734 204 HB2 TRP 30 HB2 TRP 30 1.898 8.201 -0.029 205 HB3 TRP 30 HB1 TRP 30 3.518 8.841 -0.256 206 HD1 TRP 30 HD TRP 30 3.749 10.893 -1.765 207 HE1 TRP 30 HE1 TRP 30 2.128 12.245 -3.259 208 HE3 TRP 30 HE3 TRP 30 -0.243 7.714 -1.663 209 HZ2 TRP 30 HZ2 TRP 30 -0.504 11.964 -4.260 210 HZ3 TRP 30 HZ3 TRP 30 -2.277 8.336 -2.923 211 HH2 TRP 30 HH TRP 30 -2.386 10.415 -4.192 212 H ARG 31 HN ARG 31 1.368 5.691 -0.390 213 HA ARG 31 HA ARG 31 -0.267 5.365 -2.798 214 HB2 ARG 31 HB2 ARG 31 0.824 3.087 -1.160 215 HB3 ARG 31 HB1 ARG 31 -0.479 2.913 -2.325 216 HG2 ARG 31 HG2 ARG 31 1.126 3.788 -4.063 217 HG3 ARG 31 HG1 ARG 31 2.390 3.617 -2.846 218 HD2 ARG 31 HD2 ARG 31 1.633 1.196 -2.620 219 HD3 ARG 31 HD1 ARG 31 0.711 1.461 -4.103 220 HE ARG 31 HE ARG 31 3.401 2.277 -4.438 221 HH11 ARG 31 HH11 ARG 31 1.523 -0.669 -4.115 222 HH12 ARG 31 HH12 ARG 31 2.615 -1.597 -5.101 223 HH21 ARG 31 HH21 ARG 31 4.786 1.054 -5.777 224 HH22 ARG 31 HH22 ARG 31 4.435 -0.632 -6.047 225 H CYS 32 HN CYS 32 -2.181 3.783 -2.010 226 HA CYS 32 HA CYS 32 -3.307 5.248 0.279 227 HB2 CYS 32 HB2 CYS 32 -4.778 3.926 -2.035 228 HB3 CYS 32 HB1 CYS 32 -5.487 4.937 -0.779 229 H LEU 33 HN LEU 33 -3.942 4.096 1.951 230 HA LEU 33 HA LEU 33 -2.890 1.556 2.298 231 HB2 LEU 33 HB2 LEU 33 -5.140 2.723 3.893 232 HB3 LEU 33 HB1 LEU 33 -4.009 1.514 4.429 233 HG LEU 33 HG LEU 33 -3.744 4.459 4.281 234 HD11 LEU 33 HD11 LEU 33 -4.127 3.352 6.390 235 HD12 LEU 33 HD12 LEU 33 -2.526 4.095 6.371 236 HD13 LEU 33 HD13 LEU 33 -2.693 2.350 6.152 237 HD21 LEU 33 HD21 LEU 33 -1.963 3.503 2.740 238 HD22 LEU 33 HD22 LEU 33 -1.248 2.789 4.189 239 HD23 LEU 33 HD23 LEU 33 -1.425 4.548 4.055 240 H LEU 34 HN LEU 34 -4.081 -0.395 2.919 241 HA LEU 34 HA LEU 34 -5.257 -1.302 0.599 242 HB2 LEU 34 HB2 LEU 34 -5.233 -2.600 3.311 243 HB3 LEU 34 HB1 LEU 34 -5.461 -3.412 1.769 244 HG LEU 34 HG LEU 34 -2.969 -1.957 2.646 245 HD11 LEU 34 HD11 LEU 34 -3.475 -4.894 2.216 246 HD12 LEU 34 HD12 LEU 34 -3.279 -4.094 3.777 247 HD13 LEU 34 HD13 LEU 34 -1.933 -4.147 2.638 248 HD21 LEU 34 HD21 LEU 34 -3.388 -1.723 0.264 249 HD22 LEU 34 HD22 LEU 34 -3.552 -3.474 0.113 250 HD23 LEU 34 HD23 LEU 34 -1.999 -2.769 0.572 251 H GLY 35 HN GLY 35 -7.229 -1.429 -0.132 252 HA2 GLY 35 HA2 GLY 35 -9.548 -1.841 0.067 253 HA3 GLY 35 HA1 GLY 35 -9.474 -1.292 1.735 254 H TYR 36 HN TYR 36 -7.683 0.974 0.517 255 HA TYR 36 HA TYR 36 -9.988 2.756 0.331 256 HB2 TYR 36 HB2 TYR 36 -7.044 3.385 0.579 257 HB3 TYR 36 HB1 TYR 36 -8.357 4.558 0.644 258 HD1 TYR 36 HD1 TYR 36 -6.602 4.636 2.806 259 HD2 TYR 36 HD2 TYR 36 -9.828 1.947 2.203 260 HE1 TYR 36 HE1 TYR 36 -6.752 4.262 5.238 261 HE2 TYR 36 HE2 TYR 36 -10.003 1.570 4.618 262 HH TYR 36 HH TYR 36 -8.774 1.789 6.605 263 H LYS 37 HN LYS 37 -9.138 4.844 -1.097 264 HA LYS 37 HA LYS 37 -8.372 3.863 -3.737 265 HB2 LYS 37 HB2 LYS 37 -10.354 4.939 -4.760 266 HB3 LYS 37 HB1 LYS 37 -10.790 3.602 -3.713 267 HG2 LYS 37 HG2 LYS 37 -11.327 5.209 -1.930 268 HG3 LYS 37 HG1 LYS 37 -10.947 6.529 -3.036 269 HD2 LYS 37 HD2 LYS 37 -12.728 5.744 -4.543 270 HD3 LYS 37 HD1 LYS 37 -13.111 4.466 -3.392 271 HE2 LYS 37 HE2 LYS 37 -13.720 6.077 -1.718 272 HE3 LYS 37 HE1 LYS 37 -13.190 7.406 -2.746 273 HZ1 LYS 37 HZ1 LYS 37 -14.954 6.932 -4.276 274 HZ2 LYS 37 HZ2 LYS 37 -15.610 7.106 -2.722 275 HZ3 LYS 37 HZ3 LYS 37 -15.429 5.559 -3.398 276 H LYS 38 HN LYS 38 -8.241 5.719 -5.290 277 HA LYS 38 HA LYS 38 -6.969 7.984 -3.965 278 HB2 LYS 38 HB2 LYS 38 -6.053 6.650 -6.021 279 HB3 LYS 38 HB1 LYS 38 -7.162 7.653 -6.941 280 HG2 LYS 38 HG2 LYS 38 -5.180 8.825 -7.047 281 HG3 LYS 38 HG1 LYS 38 -6.044 9.624 -5.729 282 HD2 LYS 38 HD2 LYS 38 -4.062 9.311 -4.672 283 HD3 LYS 38 HD1 LYS 38 -4.792 7.737 -4.323 284 HE2 LYS 38 HE2 LYS 38 -2.872 8.401 -6.548 285 HE3 LYS 38 HE1 LYS 38 -2.532 7.423 -5.123 286 HZ1 LYS 38 HZ1 LYS 38 -2.894 5.954 -6.916 287 HZ2 LYS 38 HZ2 LYS 38 -4.297 6.763 -7.412 288 HZ3 LYS 38 HZ3 LYS 38 -4.301 5.870 -5.970 289 H GLY 39 HN GLY 39 -7.843 9.935 -3.821 290 HA2 GLY 39 HA2 GLY 39 -10.593 10.201 -4.754 291 HA3 GLY 39 HA1 GLY 39 -9.793 11.218 -3.566 292 H GLU 40 HN GLU 40 -8.552 12.957 -4.241 293 HA GLU 40 HA GLU 40 -9.346 13.919 -6.884 294 HB2 GLU 40 HB2 GLU 40 -8.770 16.141 -6.024 295 HB3 GLU 40 HB1 GLU 40 -9.903 15.311 -4.967 296 HG2 GLU 40 HG2 GLU 40 -7.992 14.682 -3.510 297 HG3 GLU 40 HG1 GLU 40 -6.953 15.680 -4.525 298 H GLY 41 HN GLY 41 -7.448 12.073 -7.157 299 HA2 GLY 41 HA2 GLY 41 -5.626 11.979 -8.628 300 HA3 GLY 41 HA1 GLY 41 -5.309 13.675 -8.304 301 H ASN 42 HN ASN 42 -4.689 14.036 -5.870 302 HA ASN 42 HA ASN 42 -2.649 12.009 -5.254 303 HB2 ASN 42 HB2 ASN 42 -1.243 13.830 -4.360 304 HB3 ASN 42 HB1 ASN 42 -1.587 14.030 -6.073 305 HD21 ASN 42 HD21 ASN 42 -1.933 15.321 -2.921 306 HD22 ASN 42 HD22 ASN 42 -2.710 16.805 -3.368 307 H THR 43 HN THR 43 -5.186 11.786 -4.216 308 HA THR 43 HA THR 43 -4.538 12.048 -1.385 309 HB THR 43 HB THR 43 -6.982 12.441 -0.906 310 HG1 THR 43 HG1 THR 43 -8.226 13.305 -2.534 311 HG21 THR 43 HG21 THR 43 -6.789 14.883 -1.268 312 HG22 THR 43 HG22 THR 43 -5.359 14.586 -2.260 313 HG23 THR 43 HG23 THR 43 -5.349 14.161 -0.547 314 H CYS 44 HN CYS 44 -5.429 10.510 -0.054 315 HA CYS 44 HA CYS 44 -6.659 8.245 -1.454 316 HB2 CYS 44 HB2 CYS 44 -4.855 8.187 0.970 317 HB3 CYS 44 HB1 CYS 44 -5.596 6.783 0.202 318 H VAL 45 HN VAL 45 -8.411 7.334 -0.567 319 HA VAL 45 HA VAL 45 -9.533 8.481 1.863 320 HB VAL 45 HB VAL 45 -11.717 8.870 0.717 321 HG11 VAL 45 HG11 VAL 45 -11.136 11.022 -0.226 322 HG12 VAL 45 HG12 VAL 45 -9.463 10.516 -0.454 323 HG13 VAL 45 HG13 VAL 45 -10.108 10.720 1.179 324 HG21 VAL 45 HG21 VAL 45 -10.089 8.557 -1.810 325 HG22 VAL 45 HG22 VAL 45 -11.774 9.070 -1.718 326 HG23 VAL 45 HG23 VAL 45 -11.323 7.430 -1.241 327 H GLU 46 HN GLU 46 -11.206 7.238 2.756 328 HA GLU 46 HA GLU 46 -10.762 4.478 2.521 329 HB2 GLU 46 HB2 GLU 46 -12.639 6.225 3.996 330 HB3 GLU 46 HB1 GLU 46 -13.118 4.542 3.799 331 HG2 GLU 46 HG2 GLU 46 -11.210 3.765 4.957 332 HG3 GLU 46 HG1 GLU 46 -10.469 5.373 4.956 333 H ASN 47 HN ASN 47 -11.249 3.408 0.743 334 HA ASN 47 HA ASN 47 -13.857 3.725 -0.503 335 HB2 ASN 47 HB2 ASN 47 -11.912 3.400 -1.965 336 HB3 ASN 47 HB1 ASN 47 -11.528 1.895 -1.140 337 HD21 ASN 47 HD21 ASN 47 -11.569 1.000 -3.251 338 HD22 ASN 47 HD22 ASN 47 -13.076 0.504 -3.947 339 H ASN 48 HN ASN 48 -15.540 2.560 0.160 340 HA ASN 48 HA ASN 48 -14.964 0.386 2.050 341 HB2 ASN 48 HB2 ASN 48 -17.336 2.204 1.719 342 HB3 ASN 48 HB1 ASN 48 -17.462 0.694 2.619 343 HD21 ASN 48 HD21 ASN 48 -14.463 2.405 2.612 344 HD22 ASN 48 HD22 ASN 48 -14.558 3.012 4.224 345 H ASN 49 HN ASN 49 -15.339 0.659 -1.062 346 HA ASN 49 HA ASN 49 -16.326 -2.097 -1.187 347 HB2 ASN 49 HB2 ASN 49 -18.091 -0.450 -1.959 348 HB3 ASN 49 HB1 ASN 49 -16.982 -0.028 -3.258 349 HD21 ASN 49 HD21 ASN 49 -16.813 -1.353 -5.015 350 HD22 ASN 49 HD22 ASN 49 -17.772 -2.780 -5.244 351 HA PRO 50 HA PRO 50 -12.163 -1.157 -3.338 352 HB2 PRO 50 HB2 PRO 50 -10.881 -3.115 -1.848 353 HB3 PRO 50 HB1 PRO 50 -10.729 -1.378 -1.600 354 HG2 PRO 50 HG2 PRO 50 -12.375 -3.369 -0.167 355 HG3 PRO 50 HG1 PRO 50 -11.625 -1.883 0.436 356 HD2 PRO 50 HD2 PRO 50 -14.258 -2.082 -0.031 357 HD3 PRO 50 HD1 PRO 50 -13.377 -0.573 -0.257 358 H THR 51 HN THR 51 -11.686 -2.263 -5.035 359 HA THR 51 HA THR 51 -12.651 -5.019 -5.316 360 HB THR 51 HB THR 51 -14.008 -3.457 -6.656 361 HG1 THR 51 HG1 THR 51 -13.596 -4.539 -8.716 362 HG21 THR 51 HG21 THR 51 -13.017 -2.273 -8.562 363 HG22 THR 51 HG22 THR 51 -11.413 -2.814 -8.071 364 HG23 THR 51 HG23 THR 51 -12.326 -1.712 -7.042 365 H CYS 52 HN CYS 52 -11.268 -6.425 -6.565 366 HA CYS 52 HA CYS 52 -8.504 -5.534 -6.595 367 HB2 CYS 52 HB2 CYS 52 -9.372 -7.912 -5.967 368 HB3 CYS 52 HB1 CYS 52 -9.507 -8.149 -7.707 369 H ASP 53 HN ASP 53 -7.448 -4.940 -8.392 370 HA ASP 53 HA ASP 53 -7.773 -4.853 -11.009 371 HB2 ASP 53 HB2 ASP 53 -10.266 -4.643 -10.716 372 HB3 ASP 53 HB1 ASP 53 -10.005 -3.119 -9.882 373 H ILE 54 HN ILE 54 -8.618 -2.476 -8.542 374 HA ILE 54 HA ILE 54 -6.994 -0.391 -9.599 375 HB ILE 54 HB ILE 54 -8.087 -0.630 -6.797 376 HG12 ILE 54 HG12 ILE 54 -9.402 0.645 -9.207 377 HG13 ILE 54 HG11 ILE 54 -9.841 -0.923 -8.541 378 HG21 ILE 54 HG21 ILE 54 -7.378 1.820 -8.405 379 HG22 ILE 54 HG22 ILE 54 -6.311 1.059 -7.215 380 HG23 ILE 54 HG23 ILE 54 -7.859 1.759 -6.706 381 HD11 ILE 54 HD11 ILE 54 -10.503 0.138 -6.452 382 HD12 ILE 54 HD12 ILE 54 -11.373 0.828 -7.822 383 HD13 ILE 54 HD13 ILE 54 -10.032 1.712 -7.095 384 H ASN 55 HN ASN 55 -4.868 -1.018 -9.708 385 HA ASN 55 HA ASN 55 -2.788 -1.669 -9.003 386 HB2 ASN 55 HB2 ASN 55 -3.270 0.539 -7.761 387 HB3 ASN 55 HB1 ASN 55 -3.523 -0.465 -6.343 388 HD21 ASN 55 HD21 ASN 55 -1.735 0.243 -5.217 389 HD22 ASN 55 HD22 ASN 55 -0.123 -0.120 -5.714 390 H ASN 56 HN ASN 56 -4.643 -3.687 -8.849 391 HA ASN 56 HA ASN 56 -4.886 -5.805 -8.023 392 HB2 ASN 56 HB2 ASN 56 -2.737 -5.560 -5.978 393 HB3 ASN 56 HB1 ASN 56 -3.028 -6.853 -7.125 394 HD21 ASN 56 HD21 ASN 56 -0.822 -4.888 -6.206 395 HD22 ASN 56 HD22 ASN 56 -0.038 -4.523 -7.684 396 H GLY 57 HN GLY 57 -6.238 -3.507 -6.784 397 HA2 GLY 57 HA2 GLY 57 -7.929 -3.602 -5.150 398 HA3 GLY 57 HA1 GLY 57 -7.035 -4.880 -4.340 399 H GLY 58 HN GLY 58 -4.845 -2.545 -5.103 400 HA2 GLY 58 HA2 GLY 58 -4.348 -0.520 -3.834 401 HA3 GLY 58 HA1 GLY 58 -5.165 -1.266 -2.463 402 H CYS 59 HN CYS 59 -3.370 -3.407 -4.289 403 HA CYS 59 HA CYS 59 -1.353 -3.650 -2.178 404 HB2 CYS 59 HB2 CYS 59 -1.958 -5.710 -4.300 405 HB3 CYS 59 HB1 CYS 59 -1.218 -5.949 -2.718 406 H ASP 60 HN ASP 60 0.610 -4.855 -3.151 407 HA ASP 60 HA ASP 60 1.562 -3.341 -5.480 408 HB2 ASP 60 HB2 ASP 60 2.837 -3.518 -3.264 409 HB3 ASP 60 HB1 ASP 60 3.092 -5.208 -3.664 410 HA PRO 61 HA PRO 61 0.827 -6.763 -8.098 411 HB2 PRO 61 HB2 PRO 61 3.516 -6.338 -9.277 412 HB3 PRO 61 HB1 PRO 61 1.935 -6.318 -10.053 413 HG2 PRO 61 HG2 PRO 61 3.355 -4.078 -9.573 414 HG3 PRO 61 HG1 PRO 61 1.584 -4.111 -9.578 415 HD2 PRO 61 HD2 PRO 61 3.465 -3.924 -7.296 416 HD3 PRO 61 HD1 PRO 61 1.810 -3.321 -7.457 417 H THR 62 HN THR 62 3.581 -6.603 -6.065 418 HA THR 62 HA THR 62 4.292 -9.402 -6.438 419 HB THR 62 HB THR 62 6.111 -8.960 -4.904 420 HG1 THR 62 HG1 THR 62 5.362 -6.261 -4.558 421 HG21 THR 62 HG21 THR 62 6.463 -8.188 -7.171 422 HG22 THR 62 HG22 THR 62 7.191 -7.031 -6.055 423 HG23 THR 62 HG23 THR 62 5.637 -6.669 -6.817 424 H ALA 63 HN ALA 63 2.330 -7.395 -4.522 425 HA ALA 63 HA ALA 63 1.910 -9.365 -2.428 426 HB1 ALA 63 HB1 ALA 63 0.606 -6.681 -2.963 427 HB2 ALA 63 HB2 ALA 63 1.895 -7.015 -1.797 428 HB3 ALA 63 HB3 ALA 63 0.289 -7.707 -1.557 429 H SER 64 HN SER 64 0.585 -11.010 -2.772 430 HA SER 64 HA SER 64 -1.126 -11.223 -5.016 431 HB2 SER 64 HB2 SER 64 -0.104 -13.137 -3.710 432 HB3 SER 64 HB1 SER 64 -1.300 -12.826 -2.454 433 HG SER 64 HG SER 64 -1.786 -14.472 -4.150 434 H CYS 65 HN CYS 65 -3.173 -10.573 -5.298 435 HA CYS 65 HA CYS 65 -4.427 -9.118 -3.093 436 HB2 CYS 65 HB2 CYS 65 -4.291 -7.729 -4.978 437 HB3 CYS 65 HB1 CYS 65 -4.741 -9.033 -6.069 438 H GLN 66 HN GLN 66 -6.293 -9.570 -2.267 439 HA GLN 66 HA GLN 66 -8.081 -11.530 -3.538 440 HB2 GLN 66 HB2 GLN 66 -7.943 -11.338 -0.564 441 HB3 GLN 66 HB1 GLN 66 -8.421 -12.697 -1.566 442 HG2 GLN 66 HG2 GLN 66 -5.613 -11.785 -1.644 443 HG3 GLN 66 HG1 GLN 66 -6.164 -12.673 -0.240 444 HE21 GLN 66 HE21 GLN 66 -4.827 -14.416 -0.720 445 HE22 GLN 66 HE22 GLN 66 -5.159 -15.495 -2.035 446 H ASN 67 HN ASN 67 -10.043 -10.547 -3.857 447 HA ASN 67 HA ASN 67 -10.632 -8.236 -2.184 448 HB2 ASN 67 HB2 ASN 67 -12.664 -7.973 -3.670 449 HB3 ASN 67 HB1 ASN 67 -11.101 -7.683 -4.389 450 HD21 ASN 67 HD21 ASN 67 -13.626 -8.303 -5.626 451 HD22 ASN 67 HD22 ASN 67 -13.376 -9.747 -6.552 452 H ALA 68 HN ALA 68 -12.034 -8.160 -0.702 453 HA ALA 68 HA ALA 68 -13.861 -10.383 -0.226 454 HB1 ALA 68 HB1 ALA 68 -13.053 -10.563 2.123 455 HB2 ALA 68 HB2 ALA 68 -11.697 -9.520 1.680 456 HB3 ALA 68 HB3 ALA 68 -11.883 -11.100 0.916 457 H GLU 69 HN GLU 69 -15.513 -9.857 1.330 458 HA GLU 69 HA GLU 69 -15.715 -6.978 1.846 459 HB2 GLU 69 HB2 GLU 69 -17.903 -9.034 1.651 460 HB3 GLU 69 HB1 GLU 69 -18.159 -7.368 2.133 461 HG2 GLU 69 HG2 GLU 69 -17.173 -6.692 -0.079 462 HG3 GLU 69 HG1 GLU 69 -17.259 -8.392 -0.540 463 H SER 70 HN SER 70 -15.033 -6.537 3.739 464 HA SER 70 HA SER 70 -15.962 -8.102 6.048 465 HB2 SER 70 HB2 SER 70 -13.505 -8.416 5.568 466 HB3 SER 70 HB1 SER 70 -13.286 -6.690 5.826 467 HG SER 70 HG SER 70 -13.143 -8.498 7.648 468 H THR 71 HN THR 71 -16.158 -6.740 8.027 469 HA THR 71 HA THR 71 -17.452 -4.300 7.534 470 HB THR 71 HB THR 71 -17.847 -5.566 9.577 471 HG1 THR 71 HG1 THR 71 -16.650 -3.073 10.290 472 HG21 THR 71 HG21 THR 71 -15.017 -4.837 10.338 473 HG22 THR 71 HG22 THR 71 -15.610 -6.451 9.936 474 HG23 THR 71 HG23 THR 71 -16.193 -5.631 11.388 475 H GLU 72 HN GLU 72 -14.168 -5.172 8.084 476 HA GLU 72 HA GLU 72 -13.183 -2.484 8.409 477 HB2 GLU 72 HB2 GLU 72 -12.011 -5.219 8.312 478 HB3 GLU 72 HB1 GLU 72 -10.956 -3.830 8.160 479 HG2 GLU 72 HG2 GLU 72 -12.821 -4.390 10.438 480 HG3 GLU 72 HG1 GLU 72 -11.075 -4.648 10.438 481 H ASN 73 HN ASN 73 -12.935 -1.174 6.707 482 HA ASN 73 HA ASN 73 -12.928 -2.121 4.018 483 HB2 ASN 73 HB2 ASN 73 -12.286 0.288 3.461 484 HB3 ASN 73 HB1 ASN 73 -13.786 0.059 4.322 485 HD21 ASN 73 HD21 ASN 73 -13.932 1.958 5.246 486 HD22 ASN 73 HD22 ASN 73 -12.823 2.600 6.409 487 H SER 74 HN SER 74 -10.425 -1.397 6.318 488 HA SER 74 HA SER 74 -8.313 -1.589 4.379 489 HB2 SER 74 HB2 SER 74 -7.952 -0.215 6.349 490 HB3 SER 74 HB1 SER 74 -8.277 -1.584 7.410 491 HG SER 74 HG SER 74 -5.988 -0.943 5.964 492 H LYS 75 HN LYS 75 -10.322 -3.775 5.923 493 HA LYS 75 HA LYS 75 -8.372 -5.961 5.647 494 HB2 LYS 75 HB2 LYS 75 -9.505 -5.429 7.882 495 HB3 LYS 75 HB1 LYS 75 -10.969 -6.076 7.160 496 HG2 LYS 75 HG2 LYS 75 -9.806 -7.677 8.567 497 HG3 LYS 75 HG1 LYS 75 -9.909 -8.227 6.893 498 HD2 LYS 75 HD2 LYS 75 -7.673 -8.490 8.135 499 HD3 LYS 75 HD1 LYS 75 -7.638 -7.826 6.501 500 HE2 LYS 75 HE2 LYS 75 -7.558 -5.565 7.446 501 HE3 LYS 75 HE1 LYS 75 -7.569 -6.245 9.072 502 HZ1 LYS 75 HZ1 LYS 75 -5.341 -5.599 8.202 503 HZ2 LYS 75 HZ2 LYS 75 -5.471 -6.858 7.070 504 HZ3 LYS 75 HZ3 LYS 75 -5.454 -7.209 8.729 505 H LYS 76 HN LYS 76 -10.452 -4.537 3.763 506 HA LYS 76 HA LYS 76 -12.089 -6.760 2.964 507 HB2 LYS 76 HB2 LYS 76 -11.649 -4.087 1.679 508 HB3 LYS 76 HB1 LYS 76 -12.752 -5.314 1.075 509 HG2 LYS 76 HG2 LYS 76 -13.989 -5.180 3.224 510 HG3 LYS 76 HG1 LYS 76 -12.932 -3.849 3.696 511 HD2 LYS 76 HD2 LYS 76 -13.649 -2.823 1.418 512 HD3 LYS 76 HD1 LYS 76 -14.975 -3.965 1.529 513 HE2 LYS 76 HE2 LYS 76 -14.329 -1.941 3.653 514 HE3 LYS 76 HE1 LYS 76 -15.480 -1.663 2.355 515 HZ1 LYS 76 HZ1 LYS 76 -16.809 -3.491 3.153 516 HZ2 LYS 76 HZ2 LYS 76 -16.557 -2.365 4.399 517 HZ3 LYS 76 HZ3 LYS 76 -15.689 -3.817 4.382 518 H ILE 77 HN ILE 77 -9.437 -4.915 1.515 519 HA ILE 77 HA ILE 77 -9.018 -7.056 -0.414 520 HB ILE 77 HB ILE 77 -7.632 -4.392 -0.140 521 HG12 ILE 77 HG12 ILE 77 -9.964 -4.270 -0.938 522 HG13 ILE 77 HG11 ILE 77 -8.821 -3.814 -2.198 523 HG21 ILE 77 HG21 ILE 77 -6.614 -4.910 -2.332 524 HG22 ILE 77 HG22 ILE 77 -7.285 -6.540 -2.223 525 HG23 ILE 77 HG23 ILE 77 -6.081 -6.003 -1.050 526 HD11 ILE 77 HD11 ILE 77 -10.664 -5.239 -3.007 527 HD12 ILE 77 HD12 ILE 77 -10.090 -6.531 -1.947 528 HD13 ILE 77 HD13 ILE 77 -9.069 -5.949 -3.265 529 H ILE 78 HN ILE 78 -7.744 -8.630 0.004 530 HA ILE 78 HA ILE 78 -5.861 -8.448 2.224 531 HB ILE 78 HB ILE 78 -6.639 -10.850 0.563 532 HG12 ILE 78 HG12 ILE 78 -7.756 -11.486 2.817 533 HG13 ILE 78 HG11 ILE 78 -7.668 -9.769 3.173 534 HG21 ILE 78 HG21 ILE 78 -5.088 -10.690 3.135 535 HG22 ILE 78 HG22 ILE 78 -4.425 -11.059 1.543 536 HG23 ILE 78 HG23 ILE 78 -5.565 -12.169 2.303 537 HD11 ILE 78 HD11 ILE 78 -9.851 -10.407 2.272 538 HD12 ILE 78 HD12 ILE 78 -9.064 -10.985 0.801 539 HD13 ILE 78 HD13 ILE 78 -9.009 -9.270 1.214 540 H CYS 79 HN CYS 79 -3.984 -7.622 1.698 541 HA CYS 79 HA CYS 79 -2.766 -8.335 -0.871 542 HB2 CYS 79 HB2 CYS 79 -1.977 -6.136 1.042 543 HB3 CYS 79 HB1 CYS 79 -1.358 -6.384 -0.586 544 H THR 80 HN THR 80 -1.395 -9.918 -0.802 545 HA THR 80 HA THR 80 -0.008 -10.534 1.722 546 HB THR 80 HB THR 80 -0.829 -12.392 -0.518 547 HG1 THR 80 HG1 THR 80 -2.243 -11.419 1.464 548 HG21 THR 80 HG21 THR 80 1.212 -13.165 0.515 549 HG22 THR 80 HG22 THR 80 -0.132 -14.186 1.037 550 HG23 THR 80 HG23 THR 80 0.517 -12.952 2.121 551 H CYS 81 HN CYS 81 2.082 -9.936 1.611 552 HA CYS 81 HA CYS 81 3.458 -9.844 -0.925 553 HB2 CYS 81 HB2 CYS 81 4.676 -9.486 1.819 554 HB3 CYS 81 HB1 CYS 81 5.283 -8.886 0.283 555 H LYS 82 HN LYS 82 5.414 -11.112 -1.342 556 HA LYS 82 HA LYS 82 4.671 -13.843 -0.829 557 HB2 LYS 82 HB2 LYS 82 6.850 -12.730 -2.580 558 HB3 LYS 82 HB1 LYS 82 6.298 -14.399 -2.566 559 HG2 LYS 82 HG2 LYS 82 4.765 -11.962 -3.401 560 HG3 LYS 82 HG1 LYS 82 5.335 -13.276 -4.429 561 HD2 LYS 82 HD2 LYS 82 3.835 -14.824 -3.296 562 HD3 LYS 82 HD1 LYS 82 3.292 -13.526 -2.228 563 HE2 LYS 82 HE2 LYS 82 1.649 -13.677 -3.897 564 HE3 LYS 82 HE1 LYS 82 2.639 -12.276 -4.319 565 HZ1 LYS 82 HZ1 LYS 82 2.952 -14.984 -5.505 566 HZ2 LYS 82 HZ2 LYS 82 3.806 -13.590 -5.945 567 HZ3 LYS 82 HZ3 LYS 82 2.138 -13.691 -6.240 568 H GLU 83 HN GLU 83 6.708 -15.402 -0.911 569 HA GLU 83 HA GLU 83 7.764 -15.658 1.580 570 HB2 GLU 83 HB2 GLU 83 9.059 -16.541 -0.991 571 HB3 GLU 83 HB1 GLU 83 9.437 -17.166 0.604 572 HG2 GLU 83 HG2 GLU 83 7.127 -17.966 0.797 573 HG3 GLU 83 HG1 GLU 83 6.815 -17.404 -0.841 574 HA PRO 84 HA PRO 84 11.906 -13.591 0.474 575 HB2 PRO 84 HB2 PRO 84 12.280 -12.203 -1.763 576 HB3 PRO 84 HB1 PRO 84 12.277 -13.967 -1.782 577 HG2 PRO 84 HG2 PRO 84 10.130 -12.069 -2.598 578 HG3 PRO 84 HG1 PRO 84 10.634 -13.588 -3.360 579 HD2 PRO 84 HD2 PRO 84 8.471 -13.284 -1.643 580 HD3 PRO 84 HD1 PRO 84 9.270 -14.819 -2.020 581 H THR 85 HN THR 85 9.123 -12.263 0.942 582 HA THR 85 HA THR 85 10.202 -9.563 1.339 583 HB THR 85 HB THR 85 8.090 -8.589 0.798 584 HG1 THR 85 HG1 THR 85 7.142 -11.127 1.302 585 HG21 THR 85 HG21 THR 85 9.292 -9.098 -1.189 586 HG22 THR 85 HG22 THR 85 7.607 -9.525 -1.494 587 HG23 THR 85 HG23 THR 85 8.791 -10.789 -1.139 588 HA PRO 86 HA PRO 86 9.125 -11.341 5.482 589 HB2 PRO 86 HB2 PRO 86 11.423 -9.712 6.295 590 HB3 PRO 86 HB1 PRO 86 11.154 -11.443 6.528 591 HG2 PRO 86 HG2 PRO 86 13.002 -10.521 4.833 592 HG3 PRO 86 HG1 PRO 86 12.046 -11.968 4.455 593 HD2 PRO 86 HD2 PRO 86 11.662 -9.148 3.497 594 HD3 PRO 86 HD1 PRO 86 11.630 -10.661 2.577 595 H ASN 87 HN ASN 87 9.265 -8.355 4.049 596 HA ASN 87 HA ASN 87 7.999 -7.014 6.319 597 HB2 ASN 87 HB2 ASN 87 9.967 -5.683 4.462 598 HB3 ASN 87 HB1 ASN 87 9.259 -5.016 5.913 599 HD21 ASN 87 HD21 ASN 87 11.739 -6.870 4.569 600 HD22 ASN 87 HD22 ASN 87 12.621 -7.252 6.004 601 H ALA 88 HN ALA 88 7.078 -4.815 5.370 602 HA ALA 88 HA ALA 88 6.190 -5.110 2.615 603 HB1 ALA 88 HB1 ALA 88 3.822 -4.870 3.211 604 HB2 ALA 88 HB2 ALA 88 4.245 -4.972 4.919 605 HB3 ALA 88 HB3 ALA 88 4.510 -6.358 3.860 606 H TYR 89 HN TYR 89 5.657 -3.174 1.666 607 HA TYR 89 HA TYR 89 6.368 -0.757 3.044 608 HB2 TYR 89 HB2 TYR 89 4.897 -1.009 0.400 609 HB3 TYR 89 HB1 TYR 89 5.742 0.404 0.984 610 HD1 TYR 89 HD1 TYR 89 7.788 -2.444 1.635 611 HD2 TYR 89 HD2 TYR 89 6.474 0.133 -1.484 612 HE1 TYR 89 HE1 TYR 89 9.751 -3.043 0.298 613 HE2 TYR 89 HE2 TYR 89 8.432 -0.461 -2.822 614 HH TYR 89 HH TYR 89 10.268 -3.015 -2.377 615 H TYR 90 HN TYR 90 5.071 -0.110 4.619 616 HA TYR 90 HA TYR 90 3.284 0.201 5.945 617 HB2 TYR 90 HB2 TYR 90 2.511 1.285 3.508 618 HB3 TYR 90 HB1 TYR 90 1.139 0.301 4.008 619 HD1 TYR 90 HD1 TYR 90 2.648 3.446 4.318 620 HD2 TYR 90 HD2 TYR 90 0.465 0.565 6.549 621 HE1 TYR 90 HE1 TYR 90 2.013 5.183 5.923 622 HE2 TYR 90 HE2 TYR 90 -0.190 2.302 8.161 623 HH TYR 90 HH TYR 90 0.095 5.558 7.580 624 H GLU 91 HN GLU 91 0.708 -1.022 4.194 625 HA GLU 91 HA GLU 91 0.644 -3.251 6.090 626 HB2 GLU 91 HB2 GLU 91 -1.651 -2.574 4.304 627 HB3 GLU 91 HB1 GLU 91 -1.665 -3.229 5.932 628 HG2 GLU 91 HG2 GLU 91 -0.786 -0.955 6.677 629 HG3 GLU 91 HG1 GLU 91 -1.231 -0.402 5.061 630 H GLY 92 HN GLY 92 1.770 -2.991 3.062 631 HA2 GLY 92 HA2 GLY 92 2.152 -5.047 1.749 632 HA3 GLY 92 HA1 GLY 92 0.483 -5.488 2.113 633 H VAL 93 HN VAL 93 0.479 -2.278 1.788 634 HA VAL 93 HA VAL 93 -0.822 -2.054 -0.642 635 HB VAL 93 HB VAL 93 0.924 0.080 0.618 636 HG11 VAL 93 HG11 VAL 93 -0.779 1.600 -0.307 637 HG12 VAL 93 HG12 VAL 93 -1.526 0.215 -1.101 638 HG13 VAL 93 HG13 VAL 93 0.115 0.703 -1.534 639 HG21 VAL 93 HG21 VAL 93 -1.067 0.772 1.906 640 HG22 VAL 93 HG22 VAL 93 -0.478 -0.826 2.371 641 HG23 VAL 93 HG23 VAL 93 -1.904 -0.677 1.345 642 H PHE 94 HN PHE 94 2.553 -1.983 0.203 643 HA PHE 94 HA PHE 94 3.185 -2.897 -2.445 644 HB2 PHE 94 HB2 PHE 94 5.388 -1.281 -2.014 645 HB3 PHE 94 HB1 PHE 94 4.138 -1.023 -3.204 646 HD1 PHE 94 HD1 PHE 94 2.589 -0.240 -0.115 647 HD2 PHE 94 HD2 PHE 94 5.521 1.204 -2.841 648 HE1 PHE 94 HE1 PHE 94 2.266 2.034 0.747 649 HE2 PHE 94 HE2 PHE 94 5.200 3.480 -1.976 650 HZ PHE 94 HZ PHE 94 3.569 3.900 -0.185 651 H CYS 95 HN CYS 95 5.400 -3.954 -2.466 652 HA CYS 95 HA CYS 95 6.576 -4.381 0.169 653 HB2 CYS 95 HB2 CYS 95 6.158 -6.914 -1.321 654 HB3 CYS 95 HB1 CYS 95 6.171 -6.612 0.418 655 H SER 96 HN SER 96 8.636 -5.770 -0.032 656 HA SER 96 HA SER 96 9.913 -5.316 -2.656 657 HB2 SER 96 HB2 SER 96 10.629 -3.834 -0.585 658 HB3 SER 96 HB1 SER 96 11.536 -5.272 -0.140 659 HG SER 96 HG SER 96 11.771 -4.450 -2.786 660 H SER 97 HN SER 97 10.823 -7.067 -3.520 661 HA SER 97 HA SER 97 10.904 -9.477 -1.869 662 HB2 SER 97 HB2 SER 97 11.067 -10.591 -4.181 663 HB3 SER 97 HB1 SER 97 9.534 -9.830 -3.755 664 HG SER 97 HG SER 97 11.107 -9.318 -5.836 665 H SER 98 HN SER 98 12.605 -11.089 -2.569 666 HA SER 98 HA SER 98 14.741 -11.761 -2.761 667 HB2 SER 98 HB2 SER 98 15.171 -9.142 -4.217 668 HB3 SER 98 HB1 SER 98 16.258 -10.532 -4.239 669 HG SER 98 HG SER 98 14.934 -10.568 -6.074 670 H SER 99 HN SER 99 14.202 -10.970 -0.346 671 HA SER 99 HA SER 99 16.247 -9.100 0.556 672 HB2 SER 99 HB2 SER 99 15.188 -9.511 2.812 673 HB3 SER 99 HB1 SER 99 14.070 -8.887 1.598 674 HG SER 99 HG SER 99 14.396 -11.654 2.088 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 17.975 -2.808 -4.080 2 H2 GLY 1 HT2 GLY 1 18.056 -1.612 -2.883 3 H3 GLY 1 HT3 GLY 1 17.120 -1.356 -4.276 4 HA2 GLY 1 HA2 GLY 1 15.635 -3.151 -3.645 5 HA3 GLY 1 HA1 GLY 1 15.696 -1.894 -2.419 6 H VAL 2 HN VAL 2 15.026 -3.311 -0.798 7 HA VAL 2 HA VAL 2 16.662 -5.607 -0.115 8 HB VAL 2 HB VAL 2 17.772 -3.429 0.773 9 HG11 VAL 2 HG11 VAL 2 16.905 -2.756 3.010 10 HG12 VAL 2 HG12 VAL 2 15.456 -3.714 2.678 11 HG13 VAL 2 HG13 VAL 2 15.856 -2.330 1.659 12 HG21 VAL 2 HG21 VAL 2 18.204 -5.864 1.454 13 HG22 VAL 2 HG22 VAL 2 17.267 -5.483 2.900 14 HG23 VAL 2 HG23 VAL 2 18.741 -4.589 2.544 15 H ASP 3 HN ASP 3 15.815 -6.314 2.272 16 HA ASP 3 HA ASP 3 13.187 -7.045 2.209 17 HB2 ASP 3 HB2 ASP 3 13.325 -7.042 4.773 18 HB3 ASP 3 HB1 ASP 3 14.448 -8.052 3.880 19 HA PRO 4 HA PRO 4 11.029 -3.349 1.721 20 HB2 PRO 4 HB2 PRO 4 8.665 -4.460 2.817 21 HB3 PRO 4 HB1 PRO 4 9.110 -4.257 1.128 22 HG2 PRO 4 HG2 PRO 4 9.302 -6.618 2.866 23 HG3 PRO 4 HG1 PRO 4 9.150 -6.534 1.106 24 HD2 PRO 4 HD2 PRO 4 11.409 -7.257 2.345 25 HD3 PRO 4 HD1 PRO 4 11.417 -6.359 0.822 26 H LYS 5 HN LYS 5 11.522 -4.495 4.970 27 HA LYS 5 HA LYS 5 9.683 -2.637 6.177 28 HB2 LYS 5 HB2 LYS 5 10.952 -3.297 8.322 29 HB3 LYS 5 HB1 LYS 5 9.947 -4.485 7.521 30 HG2 LYS 5 HG2 LYS 5 11.879 -5.650 8.078 31 HG3 LYS 5 HG1 LYS 5 12.103 -5.258 6.375 32 HD2 LYS 5 HD2 LYS 5 14.165 -4.781 7.376 33 HD3 LYS 5 HD1 LYS 5 13.381 -3.212 7.192 34 HE2 LYS 5 HE2 LYS 5 12.813 -3.125 9.486 35 HE3 LYS 5 HE1 LYS 5 13.238 -4.819 9.731 36 HZ1 LYS 5 HZ1 LYS 5 15.557 -4.204 9.159 37 HZ2 LYS 5 HZ2 LYS 5 14.996 -3.485 10.587 38 HZ3 LYS 5 HZ3 LYS 5 15.094 -2.572 9.158 39 H HIS 6 HN HIS 6 12.178 -1.718 4.559 40 HA HIS 6 HA HIS 6 13.621 -0.135 6.467 41 HB2 HIS 6 HB2 HIS 6 14.507 0.973 4.291 42 HB3 HIS 6 HB1 HIS 6 14.974 -0.687 4.662 43 HD1 HIS 6 HD1 HIS 6 13.612 -2.556 3.330 44 HD2 HIS 6 HD2 HIS 6 13.253 1.340 1.970 45 HE1 HIS 6 HE1 HIS 6 12.539 -2.730 1.068 46 HE2 HIS 6 HE2 HIS 6 12.639 -0.401 0.143 47 H VAL 7 HN VAL 7 10.635 0.173 5.879 48 HA VAL 7 HA VAL 7 9.060 1.777 5.887 49 HB VAL 7 HB VAL 7 9.386 3.506 7.559 50 HG11 VAL 7 HG11 VAL 7 10.050 1.985 9.438 51 HG12 VAL 7 HG12 VAL 7 10.520 0.787 8.225 52 HG13 VAL 7 HG13 VAL 7 8.841 1.320 8.341 53 HG21 VAL 7 HG21 VAL 7 11.518 3.771 8.742 54 HG22 VAL 7 HG22 VAL 7 11.668 4.217 7.042 55 HG23 VAL 7 HG23 VAL 7 12.289 2.665 7.602 56 H CYS 8 HN CYS 8 9.844 4.729 6.285 57 HA CYS 8 HA CYS 8 10.656 5.524 3.615 58 HB2 CYS 8 HB2 CYS 8 8.473 4.838 3.076 59 HB3 CYS 8 HB1 CYS 8 7.799 5.515 4.534 60 H VAL 9 HN VAL 9 10.909 7.666 3.371 61 HA VAL 9 HA VAL 9 9.557 9.539 5.130 62 HB VAL 9 HB VAL 9 11.749 10.957 4.933 63 HG11 VAL 9 HG11 VAL 9 10.871 10.153 7.079 64 HG12 VAL 9 HG12 VAL 9 12.631 10.036 7.032 65 HG13 VAL 9 HG13 VAL 9 11.645 8.591 6.805 66 HG21 VAL 9 HG21 VAL 9 12.765 8.146 4.563 67 HG22 VAL 9 HG22 VAL 9 13.790 9.544 4.930 68 HG23 VAL 9 HG23 VAL 9 12.891 9.475 3.404 69 H ASP 10 HN ASP 10 8.245 10.197 3.494 70 HA ASP 10 HA ASP 10 9.516 11.120 1.029 71 HB2 ASP 10 HB2 ASP 10 8.584 8.985 0.513 72 HB3 ASP 10 HB1 ASP 10 7.083 9.373 1.319 73 H THR 11 HN THR 11 8.157 12.656 -0.181 74 HA THR 11 HA THR 11 6.813 14.468 -0.419 75 HB THR 11 HB THR 11 5.175 12.125 0.360 76 HG1 THR 11 HG1 THR 11 5.853 11.736 -1.599 77 HG21 THR 11 HG21 THR 11 3.750 13.963 0.912 78 HG22 THR 11 HG22 THR 11 3.209 13.283 -0.624 79 HG23 THR 11 HG23 THR 11 4.140 14.782 -0.602 80 H ARG 12 HN ARG 12 6.305 16.261 0.468 81 HA ARG 12 HA ARG 12 6.572 16.686 3.240 82 HB2 ARG 12 HB2 ARG 12 5.302 18.664 1.416 83 HB3 ARG 12 HB1 ARG 12 6.402 18.947 2.751 84 HG2 ARG 12 HG2 ARG 12 7.078 17.825 0.042 85 HG3 ARG 12 HG1 ARG 12 7.564 19.377 0.717 86 HD2 ARG 12 HD2 ARG 12 9.084 18.422 2.174 87 HD3 ARG 12 HD1 ARG 12 8.264 16.861 2.157 88 HE ARG 12 HE ARG 12 9.207 17.210 -0.402 89 HH11 ARG 12 HH11 ARG 12 10.630 17.234 2.788 90 HH12 ARG 12 HH12 ARG 12 12.078 16.406 2.301 91 HH21 ARG 12 HH21 ARG 12 11.120 16.142 -1.073 92 HH22 ARG 12 HH22 ARG 12 12.359 15.790 0.098 93 H ASP 13 HN ASP 13 3.797 16.519 1.108 94 HA ASP 13 HA ASP 13 2.089 16.346 3.495 95 HB2 ASP 13 HB2 ASP 13 1.762 18.550 2.453 96 HB3 ASP 13 HB1 ASP 13 1.384 17.773 0.920 97 H ILE 14 HN ILE 14 2.497 14.054 3.158 98 HA ILE 14 HA ILE 14 1.342 12.680 0.946 99 HB ILE 14 HB ILE 14 2.035 11.725 3.735 100 HG12 ILE 14 HG12 ILE 14 3.444 10.735 1.347 101 HG13 ILE 14 HG11 ILE 14 3.690 12.441 1.709 102 HG21 ILE 14 HG21 ILE 14 1.907 9.423 2.694 103 HG22 ILE 14 HG22 ILE 14 1.040 10.178 1.349 104 HG23 ILE 14 HG23 ILE 14 0.354 10.224 2.972 105 HD11 ILE 14 HD11 ILE 14 4.459 11.872 3.924 106 HD12 ILE 14 HD12 ILE 14 5.404 11.042 2.688 107 HD13 ILE 14 HD13 ILE 14 4.173 10.161 3.597 108 HA PRO 15 HA PRO 15 -2.904 13.295 1.655 109 HB2 PRO 15 HB2 PRO 15 -3.069 10.459 0.756 110 HB3 PRO 15 HB1 PRO 15 -3.961 11.867 0.184 111 HG2 PRO 15 HG2 PRO 15 -2.024 10.973 -1.289 112 HG3 PRO 15 HG1 PRO 15 -2.089 12.715 -0.962 113 HD2 PRO 15 HD2 PRO 15 -0.422 10.614 0.369 114 HD3 PRO 15 HD1 PRO 15 0.089 12.182 -0.263 115 H LYS 16 HN LYS 16 -4.480 12.898 3.147 116 HA LYS 16 HA LYS 16 -4.120 11.210 5.355 117 HB2 LYS 16 HB2 LYS 16 -5.714 13.097 5.277 118 HB3 LYS 16 HB1 LYS 16 -6.679 12.227 4.092 119 HG2 LYS 16 HG2 LYS 16 -7.683 12.064 6.262 120 HG3 LYS 16 HG1 LYS 16 -7.101 10.485 5.745 121 HD2 LYS 16 HD2 LYS 16 -5.101 10.774 7.134 122 HD3 LYS 16 HD1 LYS 16 -5.703 12.346 7.665 123 HE2 LYS 16 HE2 LYS 16 -7.015 9.669 8.134 124 HE3 LYS 16 HE1 LYS 16 -6.166 10.639 9.339 125 HZ1 LYS 16 HZ1 LYS 16 -8.402 11.106 9.689 126 HZ2 LYS 16 HZ2 LYS 16 -8.764 11.172 8.036 127 HZ3 LYS 16 HZ3 LYS 16 -7.877 12.427 8.762 128 H ASN 17 HN ASN 17 -4.977 9.126 5.747 129 HA ASN 17 HA ASN 17 -5.561 6.967 5.271 130 HB2 ASN 17 HB2 ASN 17 -6.726 7.891 2.642 131 HB3 ASN 17 HB1 ASN 17 -7.173 6.484 3.591 132 HD21 ASN 17 HD21 ASN 17 -7.396 9.879 3.243 133 HD22 ASN 17 HD22 ASN 17 -8.769 10.119 4.294 134 H ALA 18 HN ALA 18 -3.280 8.603 3.867 135 HA ALA 18 HA ALA 18 -2.457 6.448 2.054 136 HB1 ALA 18 HB1 ALA 18 -1.582 9.337 1.930 137 HB2 ALA 18 HB2 ALA 18 -2.805 8.597 0.896 138 HB3 ALA 18 HB3 ALA 18 -1.133 8.043 0.815 139 H GLY 19 HN GLY 19 -0.446 5.664 2.190 140 HA2 GLY 19 HA2 GLY 19 1.261 6.681 4.373 141 HA3 GLY 19 HA1 GLY 19 1.113 4.964 3.994 142 H CYS 20 HN CYS 20 3.539 6.465 4.024 143 HA CYS 20 HA CYS 20 4.134 6.731 1.168 144 HB2 CYS 20 HB2 CYS 20 5.656 8.399 1.645 145 HB3 CYS 20 HB1 CYS 20 4.429 8.689 2.862 146 H PHE 21 HN PHE 21 5.989 5.817 0.349 147 HA PHE 21 HA PHE 21 7.520 4.109 2.176 148 HB2 PHE 21 HB2 PHE 21 6.239 2.564 1.004 149 HB3 PHE 21 HB1 PHE 21 6.477 3.387 -0.529 150 HD1 PHE 21 HD1 PHE 21 8.452 1.970 2.148 151 HD2 PHE 21 HD2 PHE 21 8.022 2.415 -2.001 152 HE1 PHE 21 HE1 PHE 21 10.388 0.525 1.814 153 HE2 PHE 21 HE2 PHE 21 9.975 0.979 -2.364 154 HZ PHE 21 HZ PHE 21 11.168 0.037 -0.396 155 H ARG 22 HN ARG 22 9.664 4.067 1.960 156 HA ARG 22 HA ARG 22 10.841 5.285 -0.421 157 HB2 ARG 22 HB2 ARG 22 10.986 7.048 1.231 158 HB3 ARG 22 HB1 ARG 22 11.673 5.938 2.406 159 HG2 ARG 22 HG2 ARG 22 13.640 5.654 1.122 160 HG3 ARG 22 HG1 ARG 22 12.943 6.551 -0.216 161 HD2 ARG 22 HD2 ARG 22 12.776 8.474 1.517 162 HD3 ARG 22 HD1 ARG 22 14.004 7.538 2.381 163 HE ARG 22 HE ARG 22 14.695 7.743 -0.326 164 HH11 ARG 22 HH11 ARG 22 14.542 9.724 2.549 165 HH12 ARG 22 HH12 ARG 22 15.780 10.821 2.027 166 HH21 ARG 22 HH21 ARG 22 16.349 9.162 -1.017 167 HH22 ARG 22 HH22 ARG 22 16.821 10.494 -0.014 168 H ASP 23 HN ASP 23 12.052 3.786 -1.342 169 HA ASP 23 HA ASP 23 12.755 1.493 0.248 170 HB2 ASP 23 HB2 ASP 23 11.763 1.052 -1.865 171 HB3 ASP 23 HB1 ASP 23 13.008 1.969 -2.710 172 H ASP 24 HN ASP 24 14.914 0.462 -0.564 173 HA ASP 24 HA ASP 24 17.065 1.785 0.597 174 HB2 ASP 24 HB2 ASP 24 17.123 -0.545 0.511 175 HB3 ASP 24 HB1 ASP 24 16.699 -0.568 -1.197 176 H ASP 25 HN ASP 25 16.039 1.497 -2.773 177 HA ASP 25 HA ASP 25 18.355 2.778 -3.856 178 HB2 ASP 25 HB2 ASP 25 15.666 2.066 -5.001 179 HB3 ASP 25 HB1 ASP 25 16.833 3.006 -5.926 180 H GLY 26 HN GLY 26 16.192 4.094 -1.897 181 HA2 GLY 26 HA2 GLY 26 16.007 6.352 -1.361 182 HA3 GLY 26 HA1 GLY 26 16.735 6.757 -2.910 183 H THR 27 HN THR 27 14.559 4.646 -3.805 184 HA THR 27 HA THR 27 12.790 6.360 -5.053 185 HB THR 27 HB THR 27 12.203 3.560 -4.118 186 HG1 THR 27 HG1 THR 27 13.289 2.870 -5.945 187 HG21 THR 27 HG21 THR 27 11.210 5.093 -6.524 188 HG22 THR 27 HG22 THR 27 10.272 4.747 -5.073 189 HG23 THR 27 HG23 THR 27 10.798 3.428 -6.118 190 H GLU 28 HN GLU 28 11.269 7.668 -4.238 191 HA GLU 28 HA GLU 28 9.968 6.907 -1.705 192 HB2 GLU 28 HB2 GLU 28 10.651 9.631 -2.818 193 HB3 GLU 28 HB1 GLU 28 9.558 9.404 -1.462 194 HG2 GLU 28 HG2 GLU 28 11.247 8.725 -0.035 195 HG3 GLU 28 HG1 GLU 28 12.304 8.240 -1.358 196 H GLU 29 HN GLU 29 7.923 6.381 -1.845 197 HA GLU 29 HA GLU 29 6.184 7.742 -3.759 198 HB2 GLU 29 HB2 GLU 29 6.794 5.916 -5.136 199 HB3 GLU 29 HB1 GLU 29 6.748 4.786 -3.790 200 HG2 GLU 29 HG2 GLU 29 4.315 5.039 -3.667 201 HG3 GLU 29 HG1 GLU 29 4.363 6.157 -5.023 202 H TRP 30 HN TRP 30 4.324 8.204 -2.753 203 HA TRP 30 HA TRP 30 3.576 6.525 -0.488 204 HB2 TRP 30 HB2 TRP 30 1.972 8.275 0.095 205 HB3 TRP 30 HB1 TRP 30 3.596 8.924 -0.041 206 HD1 TRP 30 HD TRP 30 3.920 10.934 -1.639 207 HE1 TRP 30 HE1 TRP 30 2.370 12.231 -3.248 208 HE3 TRP 30 HE3 TRP 30 -0.083 7.777 -1.589 209 HZ2 TRP 30 HZ2 TRP 30 -0.244 11.932 -4.339 210 HZ3 TRP 30 HZ3 TRP 30 -2.064 8.351 -2.935 211 HH2 TRP 30 HH TRP 30 -2.131 10.383 -4.284 212 H ARG 31 HN ARG 31 1.429 5.769 -0.310 213 HA ARG 31 HA ARG 31 -0.087 5.536 -2.798 214 HB2 ARG 31 HB2 ARG 31 0.876 3.215 -1.140 215 HB3 ARG 31 HB1 ARG 31 -0.436 3.093 -2.302 216 HG2 ARG 31 HG2 ARG 31 1.223 3.931 -4.033 217 HG3 ARG 31 HG1 ARG 31 2.461 3.628 -2.814 218 HD2 ARG 31 HD2 ARG 31 1.625 1.293 -2.636 219 HD3 ARG 31 HD1 ARG 31 0.553 1.621 -3.995 220 HE ARG 31 HE ARG 31 3.396 2.109 -4.419 221 HH11 ARG 31 HH11 ARG 31 0.751 -0.181 -4.681 222 HH12 ARG 31 HH12 ARG 31 1.430 -0.998 -6.059 223 HH21 ARG 31 HH21 ARG 31 4.304 1.016 -6.189 224 HH22 ARG 31 HH22 ARG 31 3.469 -0.338 -6.886 225 H CYS 32 HN CYS 32 -2.076 4.004 -2.116 226 HA CYS 32 HA CYS 32 -3.264 5.413 0.182 227 HB2 CYS 32 HB2 CYS 32 -4.647 4.088 -2.176 228 HB3 CYS 32 HB1 CYS 32 -5.421 5.051 -0.920 229 H LEU 33 HN LEU 33 -3.922 4.226 1.807 230 HA LEU 33 HA LEU 33 -2.782 1.727 2.168 231 HB2 LEU 33 HB2 LEU 33 -5.106 2.836 3.701 232 HB3 LEU 33 HB1 LEU 33 -3.976 1.641 4.270 233 HG LEU 33 HG LEU 33 -3.770 4.590 4.165 234 HD11 LEU 33 HD11 LEU 33 -4.158 3.446 6.248 235 HD12 LEU 33 HD12 LEU 33 -2.561 4.200 6.265 236 HD13 LEU 33 HD13 LEU 33 -2.714 2.460 6.007 237 HD21 LEU 33 HD21 LEU 33 -1.233 2.980 4.088 238 HD22 LEU 33 HD22 LEU 33 -1.454 4.744 3.984 239 HD23 LEU 33 HD23 LEU 33 -1.943 3.707 2.641 240 H LEU 34 HN LEU 34 -3.942 -0.266 2.756 241 HA LEU 34 HA LEU 34 -5.416 -1.162 0.588 242 HB2 LEU 34 HB2 LEU 34 -5.109 -2.405 3.314 243 HB3 LEU 34 HB1 LEU 34 -5.575 -3.236 1.838 244 HG LEU 34 HG LEU 34 -2.916 -1.931 2.380 245 HD11 LEU 34 HD11 LEU 34 -3.713 -4.819 2.103 246 HD12 LEU 34 HD12 LEU 34 -3.146 -4.006 3.566 247 HD13 LEU 34 HD13 LEU 34 -2.055 -4.222 2.196 248 HD21 LEU 34 HD21 LEU 34 -3.897 -3.394 -0.060 249 HD22 LEU 34 HD22 LEU 34 -2.256 -2.806 0.206 250 HD23 LEU 34 HD23 LEU 34 -3.591 -1.662 0.062 251 H GLY 35 HN GLY 35 -7.556 -1.568 0.316 252 HA2 GLY 35 HA2 GLY 35 -9.816 -1.340 0.656 253 HA3 GLY 35 HA1 GLY 35 -9.489 -1.197 2.380 254 H TYR 36 HN TYR 36 -7.757 0.894 0.323 255 HA TYR 36 HA TYR 36 -9.728 3.049 0.544 256 HB2 TYR 36 HB2 TYR 36 -6.711 3.323 0.775 257 HB3 TYR 36 HB1 TYR 36 -7.871 4.622 0.793 258 HD1 TYR 36 HD1 TYR 36 -6.281 5.040 2.805 259 HD2 TYR 36 HD2 TYR 36 -9.233 2.018 2.745 260 HE1 TYR 36 HE1 TYR 36 -6.289 4.990 5.255 261 HE2 TYR 36 HE2 TYR 36 -9.252 1.949 5.194 262 HH TYR 36 HH TYR 36 -7.654 2.539 7.062 263 H LYS 37 HN LYS 37 -9.152 4.773 -1.155 264 HA LYS 37 HA LYS 37 -7.935 3.571 -3.530 265 HB2 LYS 37 HB2 LYS 37 -9.821 4.364 -4.882 266 HB3 LYS 37 HB1 LYS 37 -10.341 3.192 -3.688 267 HG2 LYS 37 HG2 LYS 37 -11.084 5.074 -2.260 268 HG3 LYS 37 HG1 LYS 37 -10.680 6.175 -3.580 269 HD2 LYS 37 HD2 LYS 37 -12.229 4.926 -5.040 270 HD3 LYS 37 HD1 LYS 37 -12.672 3.922 -3.652 271 HE2 LYS 37 HE2 LYS 37 -13.576 5.818 -2.498 272 HE3 LYS 37 HE1 LYS 37 -12.978 6.926 -3.736 273 HZ1 LYS 37 HZ1 LYS 37 -15.108 4.877 -4.026 274 HZ2 LYS 37 HZ2 LYS 37 -14.443 5.731 -5.331 275 HZ3 LYS 37 HZ3 LYS 37 -15.285 6.563 -4.120 276 H LYS 38 HN LYS 38 -7.853 5.309 -5.299 277 HA LYS 38 HA LYS 38 -6.727 7.720 -4.113 278 HB2 LYS 38 HB2 LYS 38 -5.585 6.311 -5.944 279 HB3 LYS 38 HB1 LYS 38 -6.758 7.026 -7.039 280 HG2 LYS 38 HG2 LYS 38 -4.804 8.323 -7.206 281 HG3 LYS 38 HG1 LYS 38 -5.959 9.273 -6.266 282 HD2 LYS 38 HD2 LYS 38 -4.116 9.527 -4.939 283 HD3 LYS 38 HD1 LYS 38 -4.772 8.023 -4.249 284 HE2 LYS 38 HE2 LYS 38 -2.768 8.021 -6.493 285 HE3 LYS 38 HE1 LYS 38 -2.265 8.112 -4.808 286 HZ1 LYS 38 HZ1 LYS 38 -3.765 5.913 -6.126 287 HZ2 LYS 38 HZ2 LYS 38 -3.545 6.025 -4.452 288 HZ3 LYS 38 HZ3 LYS 38 -2.202 5.857 -5.470 289 H GLY 39 HN GLY 39 -7.693 9.644 -4.185 290 HA2 GLY 39 HA2 GLY 39 -10.355 9.700 -5.392 291 HA3 GLY 39 HA1 GLY 39 -9.760 10.792 -4.152 292 H GLU 40 HN GLU 40 -9.054 12.724 -4.734 293 HA GLU 40 HA GLU 40 -9.376 13.485 -7.501 294 HB2 GLU 40 HB2 GLU 40 -9.041 15.782 -6.650 295 HB3 GLU 40 HB1 GLU 40 -10.302 14.913 -5.789 296 HG2 GLU 40 HG2 GLU 40 -8.625 14.415 -3.999 297 HG3 GLU 40 HG1 GLU 40 -7.507 15.485 -4.841 298 H GLY 41 HN GLY 41 -7.355 11.868 -7.715 299 HA2 GLY 41 HA2 GLY 41 -5.371 12.016 -8.960 300 HA3 GLY 41 HA1 GLY 41 -5.203 13.686 -8.441 301 H ASN 42 HN ASN 42 -4.476 14.085 -6.253 302 HA ASN 42 HA ASN 42 -2.646 11.953 -5.392 303 HB2 ASN 42 HB2 ASN 42 -1.218 13.726 -4.446 304 HB3 ASN 42 HB1 ASN 42 -1.450 13.926 -6.178 305 HD21 ASN 42 HD21 ASN 42 -0.702 15.844 -4.096 306 HD22 ASN 42 HD22 ASN 42 -1.858 17.133 -4.202 307 H THR 43 HN THR 43 -5.072 11.584 -4.483 308 HA THR 43 HA THR 43 -4.802 12.201 -1.646 309 HB THR 43 HB THR 43 -7.380 12.370 -1.630 310 HG1 THR 43 HG1 THR 43 -7.092 13.580 -4.121 311 HG21 THR 43 HG21 THR 43 -5.906 14.174 -0.972 312 HG22 THR 43 HG22 THR 43 -7.230 14.809 -1.953 313 HG23 THR 43 HG23 THR 43 -5.627 14.591 -2.663 314 H CYS 44 HN CYS 44 -5.424 10.598 -0.303 315 HA CYS 44 HA CYS 44 -6.555 8.214 -1.586 316 HB2 CYS 44 HB2 CYS 44 -4.822 8.405 0.880 317 HB3 CYS 44 HB1 CYS 44 -5.480 6.912 0.198 318 H VAL 45 HN VAL 45 -8.280 7.249 -0.704 319 HA VAL 45 HA VAL 45 -9.555 8.482 1.622 320 HB VAL 45 HB VAL 45 -11.732 8.543 0.390 321 HG11 VAL 45 HG11 VAL 45 -9.589 10.307 -0.813 322 HG12 VAL 45 HG12 VAL 45 -10.401 10.596 0.728 323 HG13 VAL 45 HG13 VAL 45 -11.320 10.637 -0.781 324 HG21 VAL 45 HG21 VAL 45 -11.689 8.565 -2.075 325 HG22 VAL 45 HG22 VAL 45 -11.183 7.004 -1.428 326 HG23 VAL 45 HG23 VAL 45 -9.977 8.137 -2.043 327 H GLU 46 HN GLU 46 -10.927 7.160 2.732 328 HA GLU 46 HA GLU 46 -10.617 4.379 2.436 329 HB2 GLU 46 HB2 GLU 46 -12.468 6.128 4.012 330 HB3 GLU 46 HB1 GLU 46 -12.705 4.385 3.987 331 HG2 GLU 46 HG2 GLU 46 -10.534 4.018 4.929 332 HG3 GLU 46 HG1 GLU 46 -10.149 5.740 4.823 333 H ASN 47 HN ASN 47 -11.321 3.404 0.600 334 HA ASN 47 HA ASN 47 -13.431 4.407 -0.947 335 HB2 ASN 47 HB2 ASN 47 -13.159 2.180 -2.118 336 HB3 ASN 47 HB1 ASN 47 -11.781 3.218 -2.138 337 HD21 ASN 47 HD21 ASN 47 -10.516 1.521 -2.640 338 HD22 ASN 47 HD22 ASN 47 -10.104 0.315 -1.501 339 H ASN 48 HN ASN 48 -13.153 1.803 1.356 340 HA ASN 48 HA ASN 48 -14.640 0.762 2.678 341 HB2 ASN 48 HB2 ASN 48 -15.586 3.331 2.517 342 HB3 ASN 48 HB1 ASN 48 -16.996 2.360 2.095 343 HD21 ASN 48 HD21 ASN 48 -14.491 2.817 4.493 344 HD22 ASN 48 HD22 ASN 48 -15.381 2.187 5.832 345 H ASN 49 HN ASN 49 -15.117 1.004 -0.602 346 HA ASN 49 HA ASN 49 -16.429 -1.611 -0.469 347 HB2 ASN 49 HB2 ASN 49 -18.088 0.131 -1.194 348 HB3 ASN 49 HB1 ASN 49 -17.037 0.453 -2.570 349 HD21 ASN 49 HD21 ASN 49 -18.545 -0.168 -4.093 350 HD22 ASN 49 HD22 ASN 49 -19.012 -1.818 -4.322 351 HA PRO 50 HA PRO 50 -12.425 -1.106 -3.002 352 HB2 PRO 50 HB2 PRO 50 -10.974 -2.923 -1.540 353 HB3 PRO 50 HB1 PRO 50 -10.941 -1.174 -1.312 354 HG2 PRO 50 HG2 PRO 50 -12.379 -3.247 0.241 355 HG3 PRO 50 HG1 PRO 50 -11.633 -1.734 0.777 356 HD2 PRO 50 HD2 PRO 50 -14.303 -2.033 0.454 357 HD3 PRO 50 HD1 PRO 50 -13.471 -0.496 0.260 358 H THR 51 HN THR 51 -12.058 -2.328 -4.670 359 HA THR 51 HA THR 51 -13.061 -5.099 -4.660 360 HB THR 51 HB THR 51 -14.383 -3.546 -6.096 361 HG1 THR 51 HG1 THR 51 -14.307 -5.733 -6.667 362 HG21 THR 51 HG21 THR 51 -11.835 -3.347 -7.714 363 HG22 THR 51 HG22 THR 51 -12.571 -2.038 -6.786 364 HG23 THR 51 HG23 THR 51 -13.412 -2.713 -8.182 365 H CYS 52 HN CYS 52 -11.716 -6.661 -5.734 366 HA CYS 52 HA CYS 52 -8.947 -5.788 -5.968 367 HB2 CYS 52 HB2 CYS 52 -9.610 -7.973 -4.875 368 HB3 CYS 52 HB1 CYS 52 -10.105 -8.552 -6.462 369 H ASP 53 HN ASP 53 -7.964 -5.460 -7.847 370 HA ASP 53 HA ASP 53 -8.347 -5.882 -10.429 371 HB2 ASP 53 HB2 ASP 53 -10.841 -5.616 -10.070 372 HB3 ASP 53 HB1 ASP 53 -10.543 -3.936 -9.644 373 H ILE 54 HN ILE 54 -9.064 -3.092 -8.367 374 HA ILE 54 HA ILE 54 -7.592 -1.242 -9.957 375 HB ILE 54 HB ILE 54 -8.473 -0.928 -7.091 376 HG12 ILE 54 HG12 ILE 54 -9.968 -0.102 -9.590 377 HG13 ILE 54 HG11 ILE 54 -10.323 -1.560 -8.671 378 HG21 ILE 54 HG21 ILE 54 -6.756 0.656 -7.961 379 HG22 ILE 54 HG22 ILE 54 -8.278 1.435 -7.491 380 HG23 ILE 54 HG23 ILE 54 -7.920 1.162 -9.197 381 HD11 ILE 54 HD11 ILE 54 -10.481 1.254 -7.613 382 HD12 ILE 54 HD12 ILE 54 -10.892 -0.217 -6.730 383 HD13 ILE 54 HD13 ILE 54 -11.850 0.267 -8.129 384 H ASN 55 HN ASN 55 -5.478 -1.954 -10.120 385 HA ASN 55 HA ASN 55 -3.319 -2.356 -9.485 386 HB2 ASN 55 HB2 ASN 55 -3.782 0.015 -8.582 387 HB3 ASN 55 HB1 ASN 55 -3.896 -0.749 -7.010 388 HD21 ASN 55 HD21 ASN 55 -2.053 0.263 -6.217 389 HD22 ASN 55 HD22 ASN 55 -0.469 -0.173 -6.748 390 H ASN 56 HN ASN 56 -5.073 -4.337 -8.887 391 HA ASN 56 HA ASN 56 -5.233 -6.282 -7.709 392 HB2 ASN 56 HB2 ASN 56 -2.983 -5.579 -5.867 393 HB3 ASN 56 HB1 ASN 56 -3.334 -7.111 -6.645 394 HD21 ASN 56 HD21 ASN 56 -1.070 -5.066 -6.389 395 HD22 ASN 56 HD22 ASN 56 -0.417 -5.054 -7.971 396 H GLY 57 HN GLY 57 -6.616 -3.855 -6.869 397 HA2 GLY 57 HA2 GLY 57 -8.204 -3.545 -5.207 398 HA3 GLY 57 HA1 GLY 57 -7.423 -4.808 -4.271 399 H GLY 58 HN GLY 58 -5.109 -2.628 -5.310 400 HA2 GLY 58 HA2 GLY 58 -4.511 -0.538 -4.206 401 HA3 GLY 58 HA1 GLY 58 -5.295 -1.158 -2.760 402 H CYS 59 HN CYS 59 -3.560 -3.476 -4.464 403 HA CYS 59 HA CYS 59 -1.441 -3.502 -2.437 404 HB2 CYS 59 HB2 CYS 59 -2.102 -5.756 -4.323 405 HB3 CYS 59 HB1 CYS 59 -1.277 -5.831 -2.770 406 H ASP 60 HN ASP 60 0.440 -4.850 -3.381 407 HA ASP 60 HA ASP 60 1.448 -3.502 -5.789 408 HB2 ASP 60 HB2 ASP 60 2.725 -3.626 -3.583 409 HB3 ASP 60 HB1 ASP 60 2.824 -5.356 -3.826 410 HA PRO 61 HA PRO 61 0.385 -6.995 -8.182 411 HB2 PRO 61 HB2 PRO 61 3.017 -6.782 -9.533 412 HB3 PRO 61 HB1 PRO 61 1.395 -6.694 -10.215 413 HG2 PRO 61 HG2 PRO 61 2.977 -4.533 -9.919 414 HG3 PRO 61 HG1 PRO 61 1.209 -4.454 -9.825 415 HD2 PRO 61 HD2 PRO 61 3.227 -4.293 -7.661 416 HD3 PRO 61 HD1 PRO 61 1.606 -3.591 -7.759 417 H THR 62 HN THR 62 3.332 -6.895 -6.397 418 HA THR 62 HA THR 62 3.844 -9.737 -6.672 419 HB THR 62 HB THR 62 5.739 -9.341 -5.205 420 HG1 THR 62 HG1 THR 62 5.002 -6.606 -4.967 421 HG21 THR 62 HG21 THR 62 6.883 -7.546 -6.485 422 HG22 THR 62 HG22 THR 62 5.324 -7.114 -7.203 423 HG23 THR 62 HG23 THR 62 6.040 -8.700 -7.519 424 H ALA 63 HN ALA 63 2.108 -7.556 -4.696 425 HA ALA 63 HA ALA 63 1.625 -9.437 -2.544 426 HB1 ALA 63 HB1 ALA 63 1.723 -7.021 -2.071 427 HB2 ALA 63 HB2 ALA 63 0.145 -7.695 -1.663 428 HB3 ALA 63 HB3 ALA 63 0.347 -6.755 -3.147 429 H SER 64 HN SER 64 0.553 -11.189 -3.317 430 HA SER 64 HA SER 64 -1.380 -11.247 -5.336 431 HB2 SER 64 HB2 SER 64 -0.150 -13.230 -4.337 432 HB3 SER 64 HB1 SER 64 -1.261 -13.137 -2.972 433 HG SER 64 HG SER 64 -2.315 -14.497 -4.243 434 H CYS 65 HN CYS 65 -3.377 -10.473 -5.391 435 HA CYS 65 HA CYS 65 -4.484 -9.410 -2.914 436 HB2 CYS 65 HB2 CYS 65 -4.409 -7.745 -4.562 437 HB3 CYS 65 HB1 CYS 65 -4.975 -8.843 -5.815 438 H GLN 66 HN GLN 66 -6.395 -9.862 -2.110 439 HA GLN 66 HA GLN 66 -8.262 -11.601 -3.568 440 HB2 GLN 66 HB2 GLN 66 -8.183 -11.794 -0.602 441 HB3 GLN 66 HB1 GLN 66 -8.551 -13.031 -1.790 442 HG2 GLN 66 HG2 GLN 66 -5.782 -12.055 -1.703 443 HG3 GLN 66 HG1 GLN 66 -6.324 -13.006 -0.332 444 HE21 GLN 66 HE21 GLN 66 -8.181 -14.560 -1.921 445 HE22 GLN 66 HE22 GLN 66 -7.231 -15.657 -2.867 446 H ASN 67 HN ASN 67 -10.361 -10.759 -3.516 447 HA ASN 67 HA ASN 67 -10.700 -8.424 -1.781 448 HB2 ASN 67 HB2 ASN 67 -12.913 -8.133 -3.075 449 HB3 ASN 67 HB1 ASN 67 -11.402 -7.716 -3.842 450 HD21 ASN 67 HD21 ASN 67 -12.599 -10.969 -3.417 451 HD22 ASN 67 HD22 ASN 67 -12.825 -11.284 -5.101 452 H ALA 68 HN ALA 68 -12.083 -8.246 -0.244 453 HA ALA 68 HA ALA 68 -13.788 -10.518 0.480 454 HB1 ALA 68 HB1 ALA 68 -12.847 -10.118 2.879 455 HB2 ALA 68 HB2 ALA 68 -11.456 -9.438 2.011 456 HB3 ALA 68 HB3 ALA 68 -11.939 -11.113 1.735 457 H GLU 69 HN GLU 69 -15.257 -9.962 2.259 458 HA GLU 69 HA GLU 69 -15.773 -7.080 2.439 459 HB2 GLU 69 HB2 GLU 69 -17.669 -9.358 2.939 460 HB3 GLU 69 HB1 GLU 69 -18.070 -7.649 2.989 461 HG2 GLU 69 HG2 GLU 69 -17.465 -7.475 0.606 462 HG3 GLU 69 HG1 GLU 69 -17.204 -9.217 0.576 463 H SER 70 HN SER 70 -14.493 -6.608 4.072 464 HA SER 70 HA SER 70 -14.458 -8.332 6.429 465 HB2 SER 70 HB2 SER 70 -12.332 -7.567 5.146 466 HB3 SER 70 HB1 SER 70 -12.578 -6.032 5.972 467 HG SER 70 HG SER 70 -11.679 -8.440 6.942 468 H THR 71 HN THR 71 -14.302 -7.233 8.573 469 HA THR 71 HA THR 71 -16.260 -5.244 9.002 470 HB THR 71 HB THR 71 -13.926 -5.786 10.841 471 HG1 THR 71 HG1 THR 71 -16.358 -7.272 10.844 472 HG21 THR 71 HG21 THR 71 -16.808 -5.041 11.349 473 HG22 THR 71 HG22 THR 71 -15.415 -3.970 11.494 474 HG23 THR 71 HG23 THR 71 -15.594 -5.339 12.592 475 H GLU 72 HN GLU 72 -12.801 -5.203 8.549 476 HA GLU 72 HA GLU 72 -12.673 -2.294 8.713 477 HB2 GLU 72 HB2 GLU 72 -10.522 -4.360 8.328 478 HB3 GLU 72 HB1 GLU 72 -10.243 -2.640 8.516 479 HG2 GLU 72 HG2 GLU 72 -11.648 -4.263 10.588 480 HG3 GLU 72 HG1 GLU 72 -9.889 -4.116 10.545 481 H ASN 73 HN ASN 73 -12.642 -1.060 6.870 482 HA ASN 73 HA ASN 73 -12.950 -2.093 4.277 483 HB2 ASN 73 HB2 ASN 73 -11.541 0.286 3.878 484 HB3 ASN 73 HB1 ASN 73 -13.279 0.099 3.885 485 HD21 ASN 73 HD21 ASN 73 -11.318 2.213 4.696 486 HD22 ASN 73 HD22 ASN 73 -11.860 2.717 6.262 487 H SER 74 HN SER 74 -10.075 -1.353 6.161 488 HA SER 74 HA SER 74 -8.276 -1.598 3.990 489 HB2 SER 74 HB2 SER 74 -7.554 -0.309 5.869 490 HB3 SER 74 HB1 SER 74 -7.858 -1.641 6.982 491 HG SER 74 HG SER 74 -5.592 -1.071 5.803 492 H LYS 75 HN LYS 75 -9.723 -3.905 6.168 493 HA LYS 75 HA LYS 75 -7.764 -5.933 5.439 494 HB2 LYS 75 HB2 LYS 75 -10.177 -6.210 7.239 495 HB3 LYS 75 HB1 LYS 75 -8.875 -7.368 7.048 496 HG2 LYS 75 HG2 LYS 75 -8.665 -4.635 8.271 497 HG3 LYS 75 HG1 LYS 75 -8.641 -6.175 9.126 498 HD2 LYS 75 HD2 LYS 75 -6.398 -5.809 9.016 499 HD3 LYS 75 HD1 LYS 75 -6.601 -6.606 7.455 500 HE2 LYS 75 HE2 LYS 75 -6.702 -4.501 6.321 501 HE3 LYS 75 HE1 LYS 75 -6.726 -3.626 7.851 502 HZ1 LYS 75 HZ1 LYS 75 -4.470 -4.515 8.279 503 HZ2 LYS 75 HZ2 LYS 75 -4.551 -3.489 6.936 504 HZ3 LYS 75 HZ3 LYS 75 -4.457 -5.168 6.712 505 H LYS 76 HN LYS 76 -10.271 -4.639 3.923 506 HA LYS 76 HA LYS 76 -11.742 -6.958 3.154 507 HB2 LYS 76 HB2 LYS 76 -11.543 -4.289 1.776 508 HB3 LYS 76 HB1 LYS 76 -12.679 -5.563 1.367 509 HG2 LYS 76 HG2 LYS 76 -13.529 -5.337 3.754 510 HG3 LYS 76 HG1 LYS 76 -12.602 -3.838 3.814 511 HD2 LYS 76 HD2 LYS 76 -13.855 -3.457 1.499 512 HD3 LYS 76 HD1 LYS 76 -15.028 -4.512 2.274 513 HE2 LYS 76 HE2 LYS 76 -14.533 -2.782 4.269 514 HE3 LYS 76 HE1 LYS 76 -14.266 -1.736 2.866 515 HZ1 LYS 76 HZ1 LYS 76 -16.545 -1.569 3.435 516 HZ2 LYS 76 HZ2 LYS 76 -16.726 -3.249 3.568 517 HZ3 LYS 76 HZ3 LYS 76 -16.488 -2.542 2.047 518 H ILE 77 HN ILE 77 -9.146 -5.054 1.739 519 HA ILE 77 HA ILE 77 -8.875 -7.064 -0.353 520 HB ILE 77 HB ILE 77 -7.452 -4.426 -0.008 521 HG12 ILE 77 HG12 ILE 77 -9.796 -4.129 -0.596 522 HG13 ILE 77 HG11 ILE 77 -8.782 -3.747 -1.989 523 HG21 ILE 77 HG21 ILE 77 -6.622 -4.783 -2.288 524 HG22 ILE 77 HG22 ILE 77 -7.339 -6.395 -2.275 525 HG23 ILE 77 HG23 ILE 77 -6.027 -6.006 -1.163 526 HD11 ILE 77 HD11 ILE 77 -9.277 -5.882 -2.983 527 HD12 ILE 77 HD12 ILE 77 -10.779 -5.047 -2.580 528 HD13 ILE 77 HD13 ILE 77 -10.199 -6.366 -1.558 529 H ILE 78 HN ILE 78 -7.664 -8.683 0.014 530 HA ILE 78 HA ILE 78 -5.643 -8.595 2.104 531 HB ILE 78 HB ILE 78 -6.572 -10.943 0.444 532 HG12 ILE 78 HG12 ILE 78 -7.515 -11.622 2.761 533 HG13 ILE 78 HG11 ILE 78 -7.371 -9.918 3.153 534 HG21 ILE 78 HG21 ILE 78 -4.811 -10.839 2.882 535 HG22 ILE 78 HG22 ILE 78 -4.300 -11.215 1.236 536 HG23 ILE 78 HG23 ILE 78 -5.390 -12.307 2.094 537 HD11 ILE 78 HD11 ILE 78 -8.870 -9.337 1.356 538 HD12 ILE 78 HD12 ILE 78 -9.631 -10.532 2.408 539 HD13 ILE 78 HD13 ILE 78 -8.959 -11.022 0.853 540 H CYS 79 HN CYS 79 -3.781 -7.799 1.492 541 HA CYS 79 HA CYS 79 -2.699 -8.481 -1.137 542 HB2 CYS 79 HB2 CYS 79 -1.595 -6.477 0.838 543 HB3 CYS 79 HB1 CYS 79 -1.225 -6.615 -0.880 544 H THR 80 HN THR 80 -1.307 -10.052 -1.265 545 HA THR 80 HA THR 80 0.059 -10.943 1.183 546 HB THR 80 HB THR 80 -0.718 -12.612 -1.212 547 HG1 THR 80 HG1 THR 80 -2.592 -12.055 -0.125 548 HG21 THR 80 HG21 THR 80 0.321 -13.388 1.513 549 HG22 THR 80 HG22 THR 80 1.235 -13.433 0.007 550 HG23 THR 80 HG23 THR 80 -0.150 -14.507 0.229 551 H CYS 81 HN CYS 81 2.108 -10.195 1.058 552 HA CYS 81 HA CYS 81 3.408 -9.933 -1.509 553 HB2 CYS 81 HB2 CYS 81 4.699 -9.524 1.193 554 HB3 CYS 81 HB1 CYS 81 5.176 -8.835 -0.352 555 H LYS 82 HN LYS 82 5.323 -11.062 -2.088 556 HA LYS 82 HA LYS 82 4.924 -13.843 -1.575 557 HB2 LYS 82 HB2 LYS 82 6.912 -12.460 -3.358 558 HB3 LYS 82 HB1 LYS 82 6.576 -14.183 -3.362 559 HG2 LYS 82 HG2 LYS 82 4.641 -11.985 -4.029 560 HG3 LYS 82 HG1 LYS 82 5.462 -13.038 -5.182 561 HD2 LYS 82 HD2 LYS 82 4.263 -14.929 -4.459 562 HD3 LYS 82 HD1 LYS 82 3.694 -14.106 -3.002 563 HE2 LYS 82 HE2 LYS 82 1.910 -14.223 -4.631 564 HE3 LYS 82 HE1 LYS 82 2.424 -12.554 -4.397 565 HZ1 LYS 82 HZ1 LYS 82 2.133 -12.936 -6.716 566 HZ2 LYS 82 HZ2 LYS 82 3.110 -14.318 -6.683 567 HZ3 LYS 82 HZ3 LYS 82 3.797 -12.789 -6.425 568 H GLU 83 HN GLU 83 7.130 -15.156 -1.786 569 HA GLU 83 HA GLU 83 8.260 -15.262 0.728 570 HB2 GLU 83 HB2 GLU 83 9.405 -16.309 -1.852 571 HB3 GLU 83 HB1 GLU 83 9.809 -16.869 -0.233 572 HG2 GLU 83 HG2 GLU 83 7.586 -17.664 0.099 573 HG3 GLU 83 HG1 GLU 83 7.058 -16.972 -1.425 574 HA PRO 84 HA PRO 84 12.202 -13.004 -0.772 575 HB2 PRO 84 HB2 PRO 84 12.203 -11.525 -2.990 576 HB3 PRO 84 HB1 PRO 84 12.465 -13.271 -3.051 577 HG2 PRO 84 HG2 PRO 84 10.008 -11.703 -3.680 578 HG3 PRO 84 HG1 PRO 84 10.666 -13.132 -4.495 579 HD2 PRO 84 HD2 PRO 84 8.599 -13.163 -2.657 580 HD3 PRO 84 HD1 PRO 84 9.612 -14.556 -3.065 581 H THR 85 HN THR 85 9.240 -11.948 -0.289 582 HA THR 85 HA THR 85 10.083 -9.214 0.354 583 HB THR 85 HB THR 85 7.998 -8.329 -0.338 584 HG1 THR 85 HG1 THR 85 6.979 -10.556 0.474 585 HG21 THR 85 HG21 THR 85 7.630 -9.170 -2.647 586 HG22 THR 85 HG22 THR 85 8.716 -10.517 -2.290 587 HG23 THR 85 HG23 THR 85 9.327 -8.863 -2.279 588 HA PRO 86 HA PRO 86 8.923 -11.727 4.114 589 HB2 PRO 86 HB2 PRO 86 11.011 -9.996 5.290 590 HB3 PRO 86 HB1 PRO 86 10.849 -11.752 5.363 591 HG2 PRO 86 HG2 PRO 86 12.734 -10.592 3.884 592 HG3 PRO 86 HG1 PRO 86 11.883 -12.040 3.302 593 HD2 PRO 86 HD2 PRO 86 11.458 -9.162 2.573 594 HD3 PRO 86 HD1 PRO 86 11.498 -10.597 1.528 595 H ASN 87 HN ASN 87 8.844 -8.515 3.211 596 HA ASN 87 HA ASN 87 7.342 -7.690 5.575 597 HB2 ASN 87 HB2 ASN 87 9.393 -5.981 4.183 598 HB3 ASN 87 HB1 ASN 87 8.519 -5.606 5.650 599 HD21 ASN 87 HD21 ASN 87 11.186 -7.152 4.257 600 HD22 ASN 87 HD22 ASN 87 11.930 -7.751 5.706 601 H ALA 88 HN ALA 88 6.584 -5.253 4.931 602 HA ALA 88 HA ALA 88 5.780 -5.168 2.128 603 HB1 ALA 88 HB1 ALA 88 3.771 -5.107 4.381 604 HB2 ALA 88 HB2 ALA 88 3.988 -6.423 3.225 605 HB3 ALA 88 HB3 ALA 88 3.423 -4.846 2.671 606 H TYR 89 HN TYR 89 5.489 -3.125 1.370 607 HA TYR 89 HA TYR 89 6.233 -0.880 2.994 608 HB2 TYR 89 HB2 TYR 89 4.799 -0.773 0.329 609 HB3 TYR 89 HB1 TYR 89 5.805 0.474 1.022 610 HD1 TYR 89 HD1 TYR 89 7.953 -1.951 1.721 611 HD2 TYR 89 HD2 TYR 89 6.036 -0.365 -1.718 612 HE1 TYR 89 HE1 TYR 89 9.826 -2.692 0.323 613 HE2 TYR 89 HE2 TYR 89 7.889 -1.106 -3.121 614 HH TYR 89 HH TYR 89 10.253 -1.607 -2.890 615 H TYR 90 HN TYR 90 4.887 -0.337 4.591 616 HA TYR 90 HA TYR 90 3.050 0.035 5.839 617 HB2 TYR 90 HB2 TYR 90 2.400 1.239 3.437 618 HB3 TYR 90 HB1 TYR 90 1.006 0.220 3.769 619 HD1 TYR 90 HD1 TYR 90 2.588 3.287 4.494 620 HD2 TYR 90 HD2 TYR 90 -0.012 0.378 6.154 621 HE1 TYR 90 HE1 TYR 90 1.816 4.936 6.126 622 HE2 TYR 90 HE2 TYR 90 -0.810 2.021 7.803 623 HH TYR 90 HH TYR 90 -0.195 5.331 7.536 624 H GLU 91 HN GLU 91 0.468 -1.073 4.072 625 HA GLU 91 HA GLU 91 0.414 -3.390 5.846 626 HB2 GLU 91 HB2 GLU 91 -1.854 -2.458 4.113 627 HB3 GLU 91 HB1 GLU 91 -1.929 -3.415 5.583 628 HG2 GLU 91 HG2 GLU 91 -0.951 -1.319 6.723 629 HG3 GLU 91 HG1 GLU 91 -1.475 -0.490 5.255 630 H GLY 92 HN GLY 92 1.501 -3.000 2.807 631 HA2 GLY 92 HA2 GLY 92 1.918 -5.061 1.484 632 HA3 GLY 92 HA1 GLY 92 0.236 -5.485 1.796 633 H VAL 93 HN VAL 93 0.306 -2.261 1.508 634 HA VAL 93 HA VAL 93 -0.999 -2.002 -0.916 635 HB VAL 93 HB VAL 93 0.785 0.098 0.363 636 HG11 VAL 93 HG11 VAL 93 -1.669 0.319 -1.345 637 HG12 VAL 93 HG12 VAL 93 -0.013 0.732 -1.800 638 HG13 VAL 93 HG13 VAL 93 -0.849 1.669 -0.563 639 HG21 VAL 93 HG21 VAL 93 -1.173 0.804 1.668 640 HG22 VAL 93 HG22 VAL 93 -0.651 -0.830 2.088 641 HG23 VAL 93 HG23 VAL 93 -2.066 -0.593 1.064 642 H PHE 94 HN PHE 94 2.377 -1.988 -0.092 643 HA PHE 94 HA PHE 94 3.029 -2.748 -2.780 644 HB2 PHE 94 HB2 PHE 94 5.161 -1.081 -2.312 645 HB3 PHE 94 HB1 PHE 94 3.850 -0.751 -3.421 646 HD1 PHE 94 HD1 PHE 94 2.369 -0.244 -0.267 647 HD2 PHE 94 HD2 PHE 94 5.297 1.434 -2.855 648 HE1 PHE 94 HE1 PHE 94 2.084 1.927 0.830 649 HE2 PHE 94 HE2 PHE 94 5.006 3.611 -1.762 650 HZ PHE 94 HZ PHE 94 3.397 3.869 0.080 651 H CYS 95 HN CYS 95 5.206 -3.843 -2.841 652 HA CYS 95 HA CYS 95 6.357 -4.415 -0.206 653 HB2 CYS 95 HB2 CYS 95 5.863 -6.830 -1.898 654 HB3 CYS 95 HB1 CYS 95 5.993 -6.690 -0.145 655 H SER 96 HN SER 96 8.467 -5.562 -0.364 656 HA SER 96 HA SER 96 9.861 -4.775 -2.845 657 HB2 SER 96 HB2 SER 96 10.594 -3.660 -0.712 658 HB3 SER 96 HB1 SER 96 11.060 -5.244 -0.107 659 HG SER 96 HG SER 96 12.898 -4.592 -0.979 660 H SER 97 HN SER 97 10.573 -6.374 -4.109 661 HA SER 97 HA SER 97 10.989 -8.994 -2.872 662 HB2 SER 97 HB2 SER 97 10.957 -9.613 -5.470 663 HB3 SER 97 HB1 SER 97 9.495 -9.470 -4.501 664 HG SER 97 HG SER 97 8.959 -8.081 -6.001 665 H SER 98 HN SER 98 13.007 -8.277 -2.123 666 HA SER 98 HA SER 98 15.213 -9.151 -3.571 667 HB2 SER 98 HB2 SER 98 14.809 -7.112 -4.956 668 HB3 SER 98 HB1 SER 98 15.039 -6.121 -3.516 669 HG SER 98 HG SER 98 17.169 -7.026 -3.373 670 H SER 99 HN SER 99 14.577 -9.762 -1.120 671 HA SER 99 HA SER 99 16.010 -7.972 0.703 672 HB2 SER 99 HB2 SER 99 14.874 -9.337 2.499 673 HB3 SER 99 HB1 SER 99 13.783 -8.459 1.426 674 HG SER 99 HG SER 99 14.492 -11.091 0.762 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 20.801 -9.457 -1.301 2 H2 GLY 1 HT2 GLY 1 19.196 -8.925 -1.186 3 H3 GLY 1 HT3 GLY 1 20.064 -9.302 0.220 4 HA2 GLY 1 HA2 GLY 1 20.648 -7.068 -1.644 5 HA3 GLY 1 HA1 GLY 1 21.589 -7.468 -0.212 6 H VAL 2 HN VAL 2 18.256 -6.742 -1.199 7 HA VAL 2 HA VAL 2 17.974 -5.099 1.195 8 HB VAL 2 HB VAL 2 17.634 -4.096 -1.115 9 HG11 VAL 2 HG11 VAL 2 15.298 -4.553 -1.968 10 HG12 VAL 2 HG12 VAL 2 15.288 -5.931 -0.850 11 HG13 VAL 2 HG13 VAL 2 16.469 -5.860 -2.157 12 HG21 VAL 2 HG21 VAL 2 15.364 -3.993 0.865 13 HG22 VAL 2 HG22 VAL 2 15.713 -2.788 -0.377 14 HG23 VAL 2 HG23 VAL 2 16.847 -3.044 0.950 15 H ASP 3 HN ASP 3 16.242 -5.408 2.586 16 HA ASP 3 HA ASP 3 14.040 -7.102 1.611 17 HB2 ASP 3 HB2 ASP 3 13.639 -7.942 3.819 18 HB3 ASP 3 HB1 ASP 3 15.298 -8.261 3.337 19 HA PRO 4 HA PRO 4 11.537 -3.637 1.558 20 HB2 PRO 4 HB2 PRO 4 9.346 -4.738 2.995 21 HB3 PRO 4 HB1 PRO 4 9.529 -4.507 1.265 22 HG2 PRO 4 HG2 PRO 4 9.869 -6.919 2.871 23 HG3 PRO 4 HG1 PRO 4 9.654 -6.757 1.123 24 HD2 PRO 4 HD2 PRO 4 11.986 -7.512 2.313 25 HD3 PRO 4 HD1 PRO 4 11.888 -6.709 0.741 26 H LYS 5 HN LYS 5 12.679 -4.458 4.653 27 HA LYS 5 HA LYS 5 10.885 -2.873 6.219 28 HB2 LYS 5 HB2 LYS 5 12.595 -3.075 8.014 29 HB3 LYS 5 HB1 LYS 5 12.032 -4.590 7.356 30 HG2 LYS 5 HG2 LYS 5 14.371 -4.795 7.691 31 HG3 LYS 5 HG1 LYS 5 14.122 -4.649 5.953 32 HD2 LYS 5 HD2 LYS 5 14.866 -2.402 5.941 33 HD3 LYS 5 HD1 LYS 5 14.793 -2.290 7.700 34 HE2 LYS 5 HE2 LYS 5 17.076 -2.485 7.146 35 HE3 LYS 5 HE1 LYS 5 16.590 -4.061 7.763 36 HZ1 LYS 5 HZ1 LYS 5 17.977 -4.234 5.786 37 HZ2 LYS 5 HZ2 LYS 5 16.847 -3.344 4.889 38 HZ3 LYS 5 HZ3 LYS 5 16.431 -4.873 5.499 39 H HIS 6 HN HIS 6 12.682 -1.561 3.960 40 HA HIS 6 HA HIS 6 14.336 0.210 5.506 41 HB2 HIS 6 HB2 HIS 6 14.645 1.292 3.132 42 HB3 HIS 6 HB1 HIS 6 15.418 -0.243 3.537 43 HD1 HIS 6 HD1 HIS 6 14.285 -2.407 2.528 44 HD2 HIS 6 HD2 HIS 6 12.837 1.217 1.122 45 HE1 HIS 6 HE1 HIS 6 12.853 -2.984 0.552 46 HE2 HIS 6 HE2 HIS 6 11.927 -0.789 -0.258 47 H VAL 7 HN VAL 7 11.275 0.269 5.501 48 HA VAL 7 HA VAL 7 9.605 1.778 5.739 49 HB VAL 7 HB VAL 7 10.094 3.441 7.435 50 HG11 VAL 7 HG11 VAL 7 11.462 0.766 7.775 51 HG12 VAL 7 HG12 VAL 7 9.802 1.196 8.193 52 HG13 VAL 7 HG13 VAL 7 11.144 1.884 9.106 53 HG21 VAL 7 HG21 VAL 7 12.229 4.295 6.580 54 HG22 VAL 7 HG22 VAL 7 13.008 2.771 7.006 55 HG23 VAL 7 HG23 VAL 7 12.355 3.813 8.271 56 H CYS 8 HN CYS 8 10.265 4.768 6.165 57 HA CYS 8 HA CYS 8 10.743 5.663 3.459 58 HB2 CYS 8 HB2 CYS 8 8.449 4.837 3.285 59 HB3 CYS 8 HB1 CYS 8 7.980 5.801 4.672 60 H VAL 9 HN VAL 9 10.955 7.781 3.213 61 HA VAL 9 HA VAL 9 9.788 9.644 5.097 62 HB VAL 9 HB VAL 9 11.967 11.047 4.776 63 HG11 VAL 9 HG11 VAL 9 11.998 8.641 6.592 64 HG12 VAL 9 HG12 VAL 9 11.224 10.187 6.951 65 HG13 VAL 9 HG13 VAL 9 12.978 10.095 6.792 66 HG21 VAL 9 HG21 VAL 9 14.003 9.628 4.625 67 HG22 VAL 9 HG22 VAL 9 13.024 9.617 3.153 68 HG23 VAL 9 HG23 VAL 9 12.953 8.249 4.269 69 H ASP 10 HN ASP 10 8.384 10.374 3.597 70 HA ASP 10 HA ASP 10 9.472 11.215 1.012 71 HB2 ASP 10 HB2 ASP 10 8.439 9.106 0.622 72 HB3 ASP 10 HB1 ASP 10 7.014 9.560 1.531 73 H THR 11 HN THR 11 8.094 12.756 -0.131 74 HA THR 11 HA THR 11 6.907 14.716 -0.205 75 HB THR 11 HB THR 11 5.153 12.365 0.296 76 HG1 THR 11 HG1 THR 11 6.048 12.128 -1.629 77 HG21 THR 11 HG21 THR 11 3.788 14.250 0.904 78 HG22 THR 11 HG22 THR 11 3.285 13.661 -0.683 79 HG23 THR 11 HG23 THR 11 4.272 15.120 -0.552 80 H ARG 12 HN ARG 12 6.979 16.333 1.087 81 HA ARG 12 HA ARG 12 6.548 16.821 3.644 82 HB2 ARG 12 HB2 ARG 12 4.993 18.827 2.483 83 HB3 ARG 12 HB1 ARG 12 6.682 18.897 2.891 84 HG2 ARG 12 HG2 ARG 12 6.285 19.606 0.605 85 HG3 ARG 12 HG1 ARG 12 7.277 18.144 0.657 86 HD2 ARG 12 HD2 ARG 12 5.376 16.780 0.209 87 HD3 ARG 12 HD1 ARG 12 4.309 18.187 0.255 88 HE ARG 12 HE ARG 12 6.423 18.342 -1.721 89 HH11 ARG 12 HH11 ARG 12 3.138 17.350 -1.058 90 HH12 ARG 12 HH12 ARG 12 2.661 17.312 -2.725 91 HH21 ARG 12 HH21 ARG 12 5.812 18.322 -3.925 92 HH22 ARG 12 HH22 ARG 12 4.180 17.895 -4.365 93 H ASP 13 HN ASP 13 3.892 16.031 1.457 94 HA ASP 13 HA ASP 13 2.132 15.828 3.776 95 HB2 ASP 13 HB2 ASP 13 1.872 18.117 2.809 96 HB3 ASP 13 HB1 ASP 13 1.344 17.376 1.302 97 H ILE 14 HN ILE 14 2.344 13.588 3.400 98 HA ILE 14 HA ILE 14 1.172 12.442 1.015 99 HB ILE 14 HB ILE 14 2.158 11.203 3.592 100 HG12 ILE 14 HG12 ILE 14 3.417 10.305 1.165 101 HG13 ILE 14 HG11 ILE 14 3.448 12.064 1.242 102 HG21 ILE 14 HG21 ILE 14 0.409 9.762 2.887 103 HG22 ILE 14 HG22 ILE 14 1.933 9.013 2.376 104 HG23 ILE 14 HG23 ILE 14 0.924 9.866 1.202 105 HD11 ILE 14 HD11 ILE 14 4.423 10.234 3.414 106 HD12 ILE 14 HD12 ILE 14 4.557 11.998 3.360 107 HD13 ILE 14 HD13 ILE 14 5.444 11.007 2.198 108 HA PRO 15 HA PRO 15 -3.020 12.854 2.055 109 HB2 PRO 15 HB2 PRO 15 -3.215 10.069 0.999 110 HB3 PRO 15 HB1 PRO 15 -4.155 11.498 0.581 111 HG2 PRO 15 HG2 PRO 15 -2.288 10.717 -1.074 112 HG3 PRO 15 HG1 PRO 15 -2.398 12.440 -0.663 113 HD2 PRO 15 HD2 PRO 15 -0.553 10.347 0.409 114 HD3 PRO 15 HD1 PRO 15 -0.170 11.982 -0.134 115 H LYS 16 HN LYS 16 -4.574 12.277 3.517 116 HA LYS 16 HA LYS 16 -3.699 11.215 5.927 117 HB2 LYS 16 HB2 LYS 16 -5.429 12.890 5.798 118 HB3 LYS 16 HB1 LYS 16 -6.465 11.796 4.886 119 HG2 LYS 16 HG2 LYS 16 -7.141 12.037 7.232 120 HG3 LYS 16 HG1 LYS 16 -6.731 10.376 6.801 121 HD2 LYS 16 HD2 LYS 16 -4.549 10.626 7.828 122 HD3 LYS 16 HD1 LYS 16 -4.899 12.310 8.212 123 HE2 LYS 16 HE2 LYS 16 -6.429 9.930 9.266 124 HE3 LYS 16 HE1 LYS 16 -5.173 10.798 10.147 125 HZ1 LYS 16 HZ1 LYS 16 -7.322 11.582 10.833 126 HZ2 LYS 16 HZ2 LYS 16 -7.773 11.909 9.230 127 HZ3 LYS 16 HZ3 LYS 16 -6.545 12.818 9.963 128 H ASN 17 HN ASN 17 -5.674 9.756 3.419 129 HA ASN 17 HA ASN 17 -5.789 7.289 4.988 130 HB2 ASN 17 HB2 ASN 17 -7.231 8.154 2.469 131 HB3 ASN 17 HB1 ASN 17 -7.378 6.554 3.170 132 HD21 ASN 17 HD21 ASN 17 -7.045 9.344 5.173 133 HD22 ASN 17 HD22 ASN 17 -8.658 9.355 5.768 134 H ALA 18 HN ALA 18 -3.342 8.154 4.070 135 HA ALA 18 HA ALA 18 -2.637 6.128 2.091 136 HB1 ALA 18 HB1 ALA 18 -2.954 8.218 0.841 137 HB2 ALA 18 HB2 ALA 18 -1.262 7.720 0.853 138 HB3 ALA 18 HB3 ALA 18 -1.806 9.031 1.909 139 H GLY 19 HN GLY 19 -0.243 6.020 1.926 140 HA2 GLY 19 HA2 GLY 19 1.224 6.997 4.239 141 HA3 GLY 19 HA1 GLY 19 1.110 5.246 4.061 142 H CYS 20 HN CYS 20 3.567 6.635 3.971 143 HA CYS 20 HA CYS 20 4.155 6.589 1.095 144 HB2 CYS 20 HB2 CYS 20 5.720 8.262 1.380 145 HB3 CYS 20 HB1 CYS 20 4.519 8.718 2.575 146 H PHE 21 HN PHE 21 5.873 5.496 0.377 147 HA PHE 21 HA PHE 21 7.583 4.332 2.395 148 HB2 PHE 21 HB2 PHE 21 5.909 2.597 1.910 149 HB3 PHE 21 HB1 PHE 21 6.433 2.605 0.225 150 HD1 PHE 21 HD1 PHE 21 8.749 1.905 -0.337 151 HD2 PHE 21 HD2 PHE 21 7.186 1.538 3.601 152 HE1 PHE 21 HE1 PHE 21 10.577 0.416 0.253 153 HE2 PHE 21 HE2 PHE 21 9.038 0.033 4.192 154 HZ PHE 21 HZ PHE 21 10.751 -0.513 2.504 155 H ARG 22 HN ARG 22 9.621 4.063 1.815 156 HA ARG 22 HA ARG 22 10.346 5.122 -0.823 157 HB2 ARG 22 HB2 ARG 22 10.924 6.907 0.525 158 HB3 ARG 22 HB1 ARG 22 11.229 5.888 1.914 159 HG2 ARG 22 HG2 ARG 22 13.294 5.121 0.956 160 HG3 ARG 22 HG1 ARG 22 12.991 6.071 -0.489 161 HD2 ARG 22 HD2 ARG 22 13.103 8.107 0.842 162 HD3 ARG 22 HD1 ARG 22 13.392 7.140 2.289 163 HE ARG 22 HE ARG 22 15.305 6.275 0.626 164 HH11 ARG 22 HH11 ARG 22 14.342 9.560 1.388 165 HH12 ARG 22 HH12 ARG 22 15.976 10.162 1.433 166 HH21 ARG 22 HH21 ARG 22 17.447 7.072 0.674 167 HH22 ARG 22 HH22 ARG 22 17.731 8.755 1.001 168 H ASP 23 HN ASP 23 11.575 3.717 -1.962 169 HA ASP 23 HA ASP 23 12.313 1.284 -0.602 170 HB2 ASP 23 HB2 ASP 23 12.928 0.361 -2.745 171 HB3 ASP 23 HB1 ASP 23 11.334 1.103 -2.828 172 H ASP 24 HN ASP 24 14.523 0.350 -1.590 173 HA ASP 24 HA ASP 24 16.259 1.673 0.249 174 HB2 ASP 24 HB2 ASP 24 15.889 -0.837 -0.068 175 HB3 ASP 24 HB1 ASP 24 16.951 -0.691 -1.460 176 H ASP 25 HN ASP 25 15.733 2.078 -3.010 177 HA ASP 25 HA ASP 25 18.492 2.668 -3.705 178 HB2 ASP 25 HB2 ASP 25 16.892 1.648 -5.344 179 HB3 ASP 25 HB1 ASP 25 15.974 3.152 -5.317 180 H GLY 26 HN GLY 26 15.813 4.235 -2.335 181 HA2 GLY 26 HA2 GLY 26 16.190 6.420 -1.323 182 HA3 GLY 26 HA1 GLY 26 17.086 6.867 -2.769 183 H THR 27 HN THR 27 14.624 5.066 -3.797 184 HA THR 27 HA THR 27 13.111 7.159 -4.952 185 HB THR 27 HB THR 27 12.331 4.293 -4.493 186 HG1 THR 27 HG1 THR 27 13.879 3.783 -5.792 187 HG21 THR 27 HG21 THR 27 11.534 6.212 -6.683 188 HG22 THR 27 HG22 THR 27 10.517 5.698 -5.337 189 HG23 THR 27 HG23 THR 27 11.035 4.526 -6.547 190 H GLU 28 HN GLU 28 11.168 8.085 -4.286 191 HA GLU 28 HA GLU 28 10.043 7.095 -1.747 192 HB2 GLU 28 HB2 GLU 28 10.586 9.961 -2.537 193 HB3 GLU 28 HB1 GLU 28 9.661 9.478 -1.119 194 HG2 GLU 28 HG2 GLU 28 11.505 8.599 -0.046 195 HG3 GLU 28 HG1 GLU 28 12.422 8.425 -1.535 196 H GLU 29 HN GLU 29 8.028 6.583 -1.877 197 HA GLU 29 HA GLU 29 6.247 7.901 -3.784 198 HB2 GLU 29 HB2 GLU 29 6.914 6.024 -5.069 199 HB3 GLU 29 HB1 GLU 29 6.892 4.959 -3.670 200 HG2 GLU 29 HG2 GLU 29 4.453 5.144 -3.577 201 HG3 GLU 29 HG1 GLU 29 4.481 6.178 -5.002 202 H TRP 30 HN TRP 30 4.235 8.199 -2.927 203 HA TRP 30 HA TRP 30 3.565 6.508 -0.633 204 HB2 TRP 30 HB2 TRP 30 1.891 8.162 -0.008 205 HB3 TRP 30 HB1 TRP 30 3.490 8.886 -0.108 206 HD1 TRP 30 HD TRP 30 3.779 10.898 -1.666 207 HE1 TRP 30 HE1 TRP 30 2.196 12.225 -3.223 208 HE3 TRP 30 HE3 TRP 30 -0.175 7.701 -1.636 209 HZ2 TRP 30 HZ2 TRP 30 -0.418 11.921 -4.282 210 HZ3 TRP 30 HZ3 TRP 30 -2.185 8.287 -2.945 211 HH2 TRP 30 HH TRP 30 -2.292 10.354 -4.245 212 H ARG 31 HN ARG 31 1.401 5.775 -0.470 213 HA ARG 31 HA ARG 31 -0.075 5.464 -2.968 214 HB2 ARG 31 HB2 ARG 31 0.888 3.156 -1.273 215 HB3 ARG 31 HB1 ARG 31 -0.327 3.019 -2.531 216 HG2 ARG 31 HG2 ARG 31 1.451 3.906 -4.124 217 HG3 ARG 31 HG1 ARG 31 2.596 3.600 -2.815 218 HD2 ARG 31 HD2 ARG 31 1.719 1.245 -2.737 219 HD3 ARG 31 HD1 ARG 31 0.840 1.598 -4.224 220 HE ARG 31 HE ARG 31 3.606 2.237 -4.477 221 HH11 ARG 31 HH11 ARG 31 1.437 -0.525 -4.355 222 HH12 ARG 31 HH12 ARG 31 2.456 -1.510 -5.355 223 HH21 ARG 31 HH21 ARG 31 4.906 0.949 -5.815 224 HH22 ARG 31 HH22 ARG 31 4.428 -0.687 -6.168 225 H CYS 32 HN CYS 32 -2.059 3.875 -2.216 226 HA CYS 32 HA CYS 32 -3.205 5.368 0.055 227 HB2 CYS 32 HB2 CYS 32 -4.657 4.028 -2.257 228 HB3 CYS 32 HB1 CYS 32 -5.398 4.989 -0.988 229 H LEU 33 HN LEU 33 -3.809 4.265 1.730 230 HA LEU 33 HA LEU 33 -2.895 1.718 2.261 231 HB2 LEU 33 HB2 LEU 33 -5.223 3.051 3.595 232 HB3 LEU 33 HB1 LEU 33 -4.189 1.825 4.283 233 HG LEU 33 HG LEU 33 -3.701 4.740 3.899 234 HD11 LEU 33 HD11 LEU 33 -4.466 3.939 6.042 235 HD12 LEU 33 HD12 LEU 33 -2.806 4.525 6.167 236 HD13 LEU 33 HD13 LEU 33 -3.127 2.786 6.116 237 HD21 LEU 33 HD21 LEU 33 -1.840 3.579 2.721 238 HD22 LEU 33 HD22 LEU 33 -1.436 2.768 4.239 239 HD23 LEU 33 HD23 LEU 33 -1.342 4.534 4.116 240 H LEU 34 HN LEU 34 -3.934 -0.205 2.627 241 HA LEU 34 HA LEU 34 -5.375 -1.158 0.500 242 HB2 LEU 34 HB2 LEU 34 -5.179 -2.348 3.256 243 HB3 LEU 34 HB1 LEU 34 -5.475 -3.210 1.751 244 HG LEU 34 HG LEU 34 -2.954 -1.700 2.427 245 HD11 LEU 34 HD11 LEU 34 -1.928 -3.955 2.405 246 HD12 LEU 34 HD12 LEU 34 -3.550 -4.649 2.344 247 HD13 LEU 34 HD13 LEU 34 -3.048 -3.687 3.741 248 HD21 LEU 34 HD21 LEU 34 -3.513 -1.633 0.064 249 HD22 LEU 34 HD22 LEU 34 -3.654 -3.391 0.043 250 HD23 LEU 34 HD23 LEU 34 -2.092 -2.638 0.363 251 H GLY 35 HN GLY 35 -7.431 -1.412 0.025 252 HA2 GLY 35 HA2 GLY 35 -9.735 -1.612 0.382 253 HA3 GLY 35 HA1 GLY 35 -9.487 -1.164 2.066 254 H TYR 36 HN TYR 36 -7.739 0.996 0.362 255 HA TYR 36 HA TYR 36 -9.944 2.936 0.404 256 HB2 TYR 36 HB2 TYR 36 -6.963 3.421 0.519 257 HB3 TYR 36 HB1 TYR 36 -8.211 4.660 0.580 258 HD1 TYR 36 HD1 TYR 36 -6.581 5.036 2.628 259 HD2 TYR 36 HD2 TYR 36 -9.483 1.952 2.403 260 HE1 TYR 36 HE1 TYR 36 -6.625 4.897 5.081 261 HE2 TYR 36 HE2 TYR 36 -9.521 1.789 4.857 262 HH TYR 36 HH TYR 36 -7.770 2.369 6.762 263 H LYS 37 HN LYS 37 -8.991 4.922 -1.125 264 HA LYS 37 HA LYS 37 -8.345 3.832 -3.734 265 HB2 LYS 37 HB2 LYS 37 -10.350 4.879 -4.722 266 HB3 LYS 37 HB1 LYS 37 -10.749 3.574 -3.637 267 HG2 LYS 37 HG2 LYS 37 -11.276 5.218 -1.897 268 HG3 LYS 37 HG1 LYS 37 -10.919 6.518 -3.040 269 HD2 LYS 37 HD2 LYS 37 -12.692 5.701 -4.514 270 HD3 LYS 37 HD1 LYS 37 -13.027 4.401 -3.373 271 HE2 LYS 37 HE2 LYS 37 -13.675 6.009 -1.681 272 HE3 LYS 37 HE1 LYS 37 -13.276 7.340 -2.769 273 HZ1 LYS 37 HZ1 LYS 37 -15.666 6.869 -2.722 274 HZ2 LYS 37 HZ2 LYS 37 -15.375 5.290 -3.272 275 HZ3 LYS 37 HZ3 LYS 37 -15.011 6.614 -4.267 276 H LYS 38 HN LYS 38 -8.240 5.627 -5.355 277 HA LYS 38 HA LYS 38 -6.950 7.948 -4.125 278 HB2 LYS 38 HB2 LYS 38 -5.937 6.552 -6.044 279 HB3 LYS 38 HB1 LYS 38 -7.112 7.357 -7.073 280 HG2 LYS 38 HG2 LYS 38 -5.140 8.587 -7.294 281 HG3 LYS 38 HG1 LYS 38 -6.169 9.537 -6.222 282 HD2 LYS 38 HD2 LYS 38 -4.243 9.625 -5.016 283 HD3 LYS 38 HD1 LYS 38 -4.897 8.110 -4.376 284 HE2 LYS 38 HE2 LYS 38 -3.027 8.233 -6.728 285 HE3 LYS 38 HE1 LYS 38 -2.460 8.087 -5.065 286 HZ1 LYS 38 HZ1 LYS 38 -4.178 6.159 -6.542 287 HZ2 LYS 38 HZ2 LYS 38 -3.793 6.034 -4.895 288 HZ3 LYS 38 HZ3 LYS 38 -2.568 5.930 -6.056 289 H GLY 39 HN GLY 39 -7.857 9.901 -4.080 290 HA2 GLY 39 HA2 GLY 39 -10.576 10.055 -5.159 291 HA3 GLY 39 HA1 GLY 39 -9.945 11.009 -3.826 292 H GLU 40 HN GLU 40 -9.534 13.022 -4.237 293 HA GLU 40 HA GLU 40 -9.801 14.107 -6.874 294 HB2 GLU 40 HB2 GLU 40 -9.434 16.280 -5.689 295 HB3 GLU 40 HB1 GLU 40 -10.727 15.303 -5.001 296 HG2 GLU 40 HG2 GLU 40 -9.169 14.522 -3.254 297 HG3 GLU 40 HG1 GLU 40 -7.927 15.579 -3.920 298 H GLY 41 HN GLY 41 -7.750 12.593 -7.356 299 HA2 GLY 41 HA2 GLY 41 -5.771 13.001 -8.572 300 HA3 GLY 41 HA1 GLY 41 -5.584 14.522 -7.709 301 H ASN 42 HN ASN 42 -4.038 14.592 -6.248 302 HA ASN 42 HA ASN 42 -2.686 12.157 -5.465 303 HB2 ASN 42 HB2 ASN 42 -1.121 13.741 -4.282 304 HB3 ASN 42 HB1 ASN 42 -1.240 13.978 -6.020 305 HD21 ASN 42 HD21 ASN 42 -1.884 15.297 -2.898 306 HD22 ASN 42 HD22 ASN 42 -2.350 16.884 -3.424 307 H THR 43 HN THR 43 -4.982 11.743 -4.455 308 HA THR 43 HA THR 43 -4.753 12.278 -1.595 309 HB THR 43 HB THR 43 -7.335 12.535 -1.669 310 HG1 THR 43 HG1 THR 43 -6.958 13.890 -4.047 311 HG21 THR 43 HG21 THR 43 -5.441 14.724 -2.519 312 HG22 THR 43 HG22 THR 43 -5.832 14.256 -0.862 313 HG23 THR 43 HG23 THR 43 -7.069 14.980 -1.891 314 H CYS 44 HN CYS 44 -5.481 10.667 -0.319 315 HA CYS 44 HA CYS 44 -6.700 8.356 -1.660 316 HB2 CYS 44 HB2 CYS 44 -4.877 8.366 0.747 317 HB3 CYS 44 HB1 CYS 44 -5.606 6.940 0.013 318 H VAL 45 HN VAL 45 -8.460 7.487 -0.766 319 HA VAL 45 HA VAL 45 -9.484 8.517 1.769 320 HB VAL 45 HB VAL 45 -11.732 8.867 0.718 321 HG11 VAL 45 HG11 VAL 45 -10.223 10.759 1.219 322 HG12 VAL 45 HG12 VAL 45 -11.243 11.066 -0.191 323 HG13 VAL 45 HG13 VAL 45 -9.549 10.622 -0.408 324 HG21 VAL 45 HG21 VAL 45 -11.401 7.532 -1.309 325 HG22 VAL 45 HG22 VAL 45 -10.170 8.667 -1.863 326 HG23 VAL 45 HG23 VAL 45 -11.848 9.190 -1.718 327 H GLU 46 HN GLU 46 -11.194 7.230 2.622 328 HA GLU 46 HA GLU 46 -10.762 4.477 2.258 329 HB2 GLU 46 HB2 GLU 46 -12.741 6.118 3.769 330 HB3 GLU 46 HB1 GLU 46 -13.005 4.385 3.616 331 HG2 GLU 46 HG2 GLU 46 -10.810 3.975 4.622 332 HG3 GLU 46 HG1 GLU 46 -10.581 5.715 4.811 333 H ASN 47 HN ASN 47 -11.249 3.495 0.455 334 HA ASN 47 HA ASN 47 -13.179 4.219 -1.420 335 HB2 ASN 47 HB2 ASN 47 -11.259 2.821 -1.947 336 HB3 ASN 47 HB1 ASN 47 -11.849 1.554 -0.907 337 HD21 ASN 47 HD21 ASN 47 -11.131 1.041 -3.439 338 HD22 ASN 47 HD22 ASN 47 -12.519 0.647 -4.391 339 H ASN 48 HN ASN 48 -13.251 1.739 1.104 340 HA ASN 48 HA ASN 48 -14.931 0.927 2.380 341 HB2 ASN 48 HB2 ASN 48 -16.309 3.268 1.170 342 HB3 ASN 48 HB1 ASN 48 -17.293 2.053 1.984 343 HD21 ASN 48 HD21 ASN 48 -14.034 2.596 2.980 344 HD22 ASN 48 HD22 ASN 48 -14.397 3.340 4.489 345 H ASN 49 HN ASN 49 -15.278 1.054 -1.031 346 HA ASN 49 HA ASN 49 -16.387 -1.662 -0.835 347 HB2 ASN 49 HB2 ASN 49 -18.088 -0.021 -1.698 348 HB3 ASN 49 HB1 ASN 49 -17.001 0.279 -3.047 349 HD21 ASN 49 HD21 ASN 49 -18.452 -0.475 -4.584 350 HD22 ASN 49 HD22 ASN 49 -18.855 -2.151 -4.745 351 HA PRO 50 HA PRO 50 -12.284 -1.025 -3.113 352 HB2 PRO 50 HB2 PRO 50 -10.976 -2.941 -1.594 353 HB3 PRO 50 HB1 PRO 50 -10.821 -1.207 -1.421 354 HG2 PRO 50 HG2 PRO 50 -12.289 -3.125 0.220 355 HG3 PRO 50 HG1 PRO 50 -11.702 -1.511 0.636 356 HD2 PRO 50 HD2 PRO 50 -14.331 -2.196 0.160 357 HD3 PRO 50 HD1 PRO 50 -13.671 -0.563 0.091 358 H THR 51 HN THR 51 -11.747 -2.166 -4.803 359 HA THR 51 HA THR 51 -12.739 -4.923 -5.045 360 HB THR 51 HB THR 51 -13.939 -3.290 -6.487 361 HG1 THR 51 HG1 THR 51 -13.917 -5.298 -7.363 362 HG21 THR 51 HG21 THR 51 -12.790 -2.253 -8.375 363 HG22 THR 51 HG22 THR 51 -11.257 -2.926 -7.826 364 HG23 THR 51 HG23 THR 51 -12.088 -1.713 -6.850 365 H CYS 52 HN CYS 52 -11.294 -6.414 -6.085 366 HA CYS 52 HA CYS 52 -8.530 -5.511 -6.157 367 HB2 CYS 52 HB2 CYS 52 -9.282 -7.805 -5.260 368 HB3 CYS 52 HB1 CYS 52 -9.563 -8.240 -6.940 369 H ASP 53 HN ASP 53 -7.488 -5.060 -7.998 370 HA ASP 53 HA ASP 53 -7.805 -5.349 -10.614 371 HB2 ASP 53 HB2 ASP 53 -10.294 -5.067 -10.357 372 HB3 ASP 53 HB1 ASP 53 -10.012 -3.449 -9.738 373 H ILE 54 HN ILE 54 -8.668 -2.609 -8.563 374 HA ILE 54 HA ILE 54 -7.026 -0.712 -9.861 375 HB ILE 54 HB ILE 54 -8.040 -0.600 -7.022 376 HG12 ILE 54 HG12 ILE 54 -9.423 0.455 -9.495 377 HG13 ILE 54 HG11 ILE 54 -9.825 -1.083 -8.740 378 HG21 ILE 54 HG21 ILE 54 -7.358 1.622 -8.943 379 HG22 ILE 54 HG22 ILE 54 -6.277 1.014 -7.681 380 HG23 ILE 54 HG23 ILE 54 -7.814 1.782 -7.244 381 HD11 ILE 54 HD11 ILE 54 -11.360 0.686 -8.076 382 HD12 ILE 54 HD12 ILE 54 -10.013 1.619 -7.423 383 HD13 ILE 54 HD13 ILE 54 -10.453 0.071 -6.695 384 H ASN 55 HN ASN 55 -4.904 -1.332 -9.957 385 HA ASN 55 HA ASN 55 -2.793 -1.862 -9.249 386 HB2 ASN 55 HB2 ASN 55 -3.282 0.404 -8.133 387 HB3 ASN 55 HB1 ASN 55 -3.528 -0.521 -6.659 388 HD21 ASN 55 HD21 ASN 55 -1.734 0.427 -5.652 389 HD22 ASN 55 HD22 ASN 55 -0.124 0.010 -6.102 390 H ASN 56 HN ASN 56 -4.574 -3.904 -8.983 391 HA ASN 56 HA ASN 56 -4.957 -5.902 -7.968 392 HB2 ASN 56 HB2 ASN 56 -2.725 -5.784 -6.041 393 HB3 ASN 56 HB1 ASN 56 -3.096 -7.019 -7.224 394 HD21 ASN 56 HD21 ASN 56 -0.908 -4.855 -6.285 395 HD22 ASN 56 HD22 ASN 56 -0.096 -4.603 -7.770 396 H GLY 57 HN GLY 57 -6.292 -3.656 -6.874 397 HA2 GLY 57 HA2 GLY 57 -7.889 -3.618 -5.184 398 HA3 GLY 57 HA1 GLY 57 -6.982 -4.858 -4.334 399 H GLY 58 HN GLY 58 -4.826 -2.524 -5.255 400 HA2 GLY 58 HA2 GLY 58 -4.282 -0.487 -4.053 401 HA3 GLY 58 HA1 GLY 58 -5.102 -1.170 -2.653 402 H CYS 59 HN CYS 59 -3.346 -3.426 -4.376 403 HA CYS 59 HA CYS 59 -1.260 -3.515 -2.311 404 HB2 CYS 59 HB2 CYS 59 -1.868 -5.736 -4.253 405 HB3 CYS 59 HB1 CYS 59 -1.112 -5.834 -2.667 406 H ASP 60 HN ASP 60 0.672 -4.812 -3.309 407 HA ASP 60 HA ASP 60 1.578 -3.308 -5.670 408 HB2 ASP 60 HB2 ASP 60 2.900 -3.441 -3.481 409 HB3 ASP 60 HB1 ASP 60 3.144 -5.140 -3.841 410 HA PRO 61 HA PRO 61 0.793 -6.768 -8.227 411 HB2 PRO 61 HB2 PRO 61 3.437 -6.325 -9.496 412 HB3 PRO 61 HB1 PRO 61 1.831 -6.324 -10.219 413 HG2 PRO 61 HG2 PRO 61 3.249 -4.071 -9.807 414 HG3 PRO 61 HG1 PRO 61 1.479 -4.115 -9.752 415 HD2 PRO 61 HD2 PRO 61 3.434 -3.896 -7.536 416 HD3 PRO 61 HD1 PRO 61 1.770 -3.305 -7.651 417 H THR 62 HN THR 62 3.643 -6.530 -6.330 418 HA THR 62 HA THR 62 4.370 -9.327 -6.684 419 HB THR 62 HB THR 62 6.270 -8.840 -5.293 420 HG1 THR 62 HG1 THR 62 5.447 -6.169 -4.856 421 HG21 THR 62 HG21 THR 62 5.623 -6.514 -7.116 422 HG22 THR 62 HG22 THR 62 6.430 -8.018 -7.575 423 HG23 THR 62 HG23 THR 62 7.234 -6.884 -6.489 424 H ALA 63 HN ALA 63 2.450 -7.337 -4.717 425 HA ALA 63 HA ALA 63 2.112 -9.309 -2.607 426 HB1 ALA 63 HB1 ALA 63 0.717 -6.660 -3.115 427 HB2 ALA 63 HB2 ALA 63 2.067 -6.933 -2.000 428 HB3 ALA 63 HB3 ALA 63 0.500 -7.688 -1.689 429 H SER 64 HN SER 64 0.731 -10.947 -2.861 430 HA SER 64 HA SER 64 -1.075 -11.232 -4.984 431 HB2 SER 64 HB2 SER 64 -0.457 -12.594 -2.432 432 HB3 SER 64 HB1 SER 64 -1.976 -12.971 -3.199 433 HG SER 64 HG SER 64 -0.532 -13.255 -5.168 434 H CYS 65 HN CYS 65 -3.203 -10.611 -5.172 435 HA CYS 65 HA CYS 65 -4.329 -9.271 -2.813 436 HB2 CYS 65 HB2 CYS 65 -4.096 -7.589 -4.430 437 HB3 CYS 65 HB1 CYS 65 -4.580 -8.661 -5.732 438 H GLN 66 HN GLN 66 -5.880 -9.824 -1.943 439 HA GLN 66 HA GLN 66 -7.751 -11.784 -3.010 440 HB2 GLN 66 HB2 GLN 66 -7.317 -10.716 -0.234 441 HB3 GLN 66 HB1 GLN 66 -8.327 -12.068 -0.672 442 HG2 GLN 66 HG2 GLN 66 -6.308 -12.811 0.356 443 HG3 GLN 66 HG1 GLN 66 -6.403 -13.330 -1.283 444 HE21 GLN 66 HE21 GLN 66 -4.813 -12.905 -2.657 445 HE22 GLN 66 HE22 GLN 66 -3.378 -12.044 -2.217 446 H ASN 67 HN ASN 67 -9.909 -11.136 -3.272 447 HA ASN 67 HA ASN 67 -10.569 -8.572 -2.031 448 HB2 ASN 67 HB2 ASN 67 -12.581 -8.538 -3.558 449 HB3 ASN 67 HB1 ASN 67 -11.022 -8.233 -4.279 450 HD21 ASN 67 HD21 ASN 67 -13.397 -9.000 -5.584 451 HD22 ASN 67 HD22 ASN 67 -13.086 -10.512 -6.360 452 H ALA 68 HN ALA 68 -12.024 -8.403 -0.618 453 HA ALA 68 HA ALA 68 -13.693 -10.660 0.163 454 HB1 ALA 68 HB1 ALA 68 -11.456 -9.566 1.857 455 HB2 ALA 68 HB2 ALA 68 -11.626 -11.214 1.250 456 HB3 ALA 68 HB3 ALA 68 -12.746 -10.606 2.470 457 H GLU 69 HN GLU 69 -14.966 -10.016 2.172 458 HA GLU 69 HA GLU 69 -15.268 -7.115 2.347 459 HB2 GLU 69 HB2 GLU 69 -17.480 -9.150 2.155 460 HB3 GLU 69 HB1 GLU 69 -17.738 -7.513 2.744 461 HG2 GLU 69 HG2 GLU 69 -16.634 -6.799 0.515 462 HG3 GLU 69 HG1 GLU 69 -17.019 -8.440 -0.001 463 H SER 70 HN SER 70 -15.730 -6.271 4.318 464 HA SER 70 HA SER 70 -16.135 -7.859 6.655 465 HB2 SER 70 HB2 SER 70 -13.753 -8.342 6.296 466 HB3 SER 70 HB1 SER 70 -13.398 -6.618 6.187 467 HG SER 70 HG SER 70 -14.565 -7.828 8.481 468 H THR 71 HN THR 71 -16.203 -6.479 8.589 469 HA THR 71 HA THR 71 -17.425 -3.994 8.228 470 HB THR 71 HB THR 71 -17.635 -5.266 10.303 471 HG1 THR 71 HG1 THR 71 -16.617 -2.635 10.417 472 HG21 THR 71 HG21 THR 71 -15.403 -6.197 10.430 473 HG22 THR 71 HG22 THR 71 -15.788 -5.340 11.927 474 HG23 THR 71 HG23 THR 71 -14.725 -4.595 10.731 475 H GLU 72 HN GLU 72 -14.094 -4.940 8.496 476 HA GLU 72 HA GLU 72 -13.104 -2.222 8.533 477 HB2 GLU 72 HB2 GLU 72 -11.750 -4.893 8.355 478 HB3 GLU 72 HB1 GLU 72 -10.879 -3.380 8.321 479 HG2 GLU 72 HG2 GLU 72 -11.954 -2.878 10.549 480 HG3 GLU 72 HG1 GLU 72 -12.463 -4.570 10.550 481 H ASN 73 HN ASN 73 -13.096 -1.089 6.735 482 HA ASN 73 HA ASN 73 -13.420 -2.214 4.147 483 HB2 ASN 73 HB2 ASN 73 -12.454 0.556 4.842 484 HB3 ASN 73 HB1 ASN 73 -13.189 0.069 3.331 485 HD21 ASN 73 HD21 ASN 73 -13.718 1.019 6.589 486 HD22 ASN 73 HD22 ASN 73 -15.448 1.049 6.525 487 H SER 74 HN SER 74 -10.683 -1.223 6.057 488 HA SER 74 HA SER 74 -8.762 -1.437 3.964 489 HB2 SER 74 HB2 SER 74 -7.145 -1.496 5.944 490 HB3 SER 74 HB1 SER 74 -8.178 -0.071 5.820 491 HG SER 74 HG SER 74 -8.368 -2.266 7.598 492 H LYS 75 HN LYS 75 -10.322 -3.642 6.084 493 HA LYS 75 HA LYS 75 -8.382 -5.759 5.797 494 HB2 LYS 75 HB2 LYS 75 -9.344 -5.883 7.853 495 HB3 LYS 75 HB1 LYS 75 -10.874 -5.234 7.299 496 HG2 LYS 75 HG2 LYS 75 -11.491 -7.320 7.836 497 HG3 LYS 75 HG1 LYS 75 -11.051 -7.584 6.145 498 HD2 LYS 75 HD2 LYS 75 -10.028 -9.338 7.327 499 HD3 LYS 75 HD1 LYS 75 -8.732 -8.183 7.024 500 HE2 LYS 75 HE2 LYS 75 -9.004 -7.274 9.257 501 HE3 LYS 75 HE1 LYS 75 -10.332 -8.392 9.562 502 HZ1 LYS 75 HZ1 LYS 75 -8.681 -10.220 9.137 503 HZ2 LYS 75 HZ2 LYS 75 -8.432 -9.336 10.556 504 HZ3 LYS 75 HZ3 LYS 75 -7.459 -9.042 9.193 505 H LYS 76 HN LYS 76 -10.725 -4.526 3.801 506 HA LYS 76 HA LYS 76 -11.990 -6.940 2.985 507 HB2 LYS 76 HB2 LYS 76 -11.898 -4.308 1.538 508 HB3 LYS 76 HB1 LYS 76 -13.001 -5.638 1.221 509 HG2 LYS 76 HG2 LYS 76 -13.837 -5.367 3.567 510 HG3 LYS 76 HG1 LYS 76 -12.887 -3.880 3.647 511 HD2 LYS 76 HD2 LYS 76 -14.110 -3.174 1.545 512 HD3 LYS 76 HD1 LYS 76 -15.200 -4.520 1.853 513 HE2 LYS 76 HE2 LYS 76 -15.390 -3.501 4.209 514 HE3 LYS 76 HE1 LYS 76 -14.755 -2.039 3.452 515 HZ1 LYS 76 HZ1 LYS 76 -16.609 -2.015 1.953 516 HZ2 LYS 76 HZ2 LYS 76 -17.209 -2.143 3.532 517 HZ3 LYS 76 HZ3 LYS 76 -17.169 -3.509 2.530 518 H ILE 77 HN ILE 77 -9.495 -4.878 1.545 519 HA ILE 77 HA ILE 77 -8.923 -6.985 -0.400 520 HB ILE 77 HB ILE 77 -7.648 -4.262 -0.083 521 HG12 ILE 77 HG12 ILE 77 -9.954 -4.097 -0.851 522 HG13 ILE 77 HG11 ILE 77 -8.849 -3.707 -2.170 523 HG21 ILE 77 HG21 ILE 77 -7.280 -6.352 -2.217 524 HG22 ILE 77 HG22 ILE 77 -6.073 -5.809 -1.051 525 HG23 ILE 77 HG23 ILE 77 -6.654 -4.703 -2.301 526 HD11 ILE 77 HD11 ILE 77 -9.200 -5.835 -3.179 527 HD12 ILE 77 HD12 ILE 77 -10.780 -5.128 -2.817 528 HD13 ILE 77 HD13 ILE 77 -10.122 -6.402 -1.783 529 H ILE 78 HN ILE 78 -7.607 -8.504 0.169 530 HA ILE 78 HA ILE 78 -5.686 -7.996 2.295 531 HB ILE 78 HB ILE 78 -6.206 -10.693 0.989 532 HG12 ILE 78 HG12 ILE 78 -7.514 -11.130 3.151 533 HG13 ILE 78 HG11 ILE 78 -7.563 -9.389 3.373 534 HG21 ILE 78 HG21 ILE 78 -4.114 -10.442 2.177 535 HG22 ILE 78 HG22 ILE 78 -5.200 -11.522 3.051 536 HG23 ILE 78 HG23 ILE 78 -4.968 -9.865 3.606 537 HD11 ILE 78 HD11 ILE 78 -8.805 -9.142 1.299 538 HD12 ILE 78 HD12 ILE 78 -9.637 -10.247 2.394 539 HD13 ILE 78 HD13 ILE 78 -8.718 -10.883 1.024 540 H CYS 79 HN CYS 79 -3.651 -7.650 1.869 541 HA CYS 79 HA CYS 79 -2.635 -8.316 -0.798 542 HB2 CYS 79 HB2 CYS 79 -1.674 -6.103 1.019 543 HB3 CYS 79 HB1 CYS 79 -1.180 -6.401 -0.643 544 H THR 80 HN THR 80 -1.240 -9.861 -0.817 545 HA THR 80 HA THR 80 0.187 -10.541 1.665 546 HB THR 80 HB THR 80 -0.633 -12.364 -0.604 547 HG1 THR 80 HG1 THR 80 -2.446 -11.732 0.612 548 HG21 THR 80 HG21 THR 80 0.619 -12.942 2.082 549 HG22 THR 80 HG22 THR 80 1.382 -13.138 0.504 550 HG23 THR 80 HG23 THR 80 0.021 -14.165 0.959 551 H CYS 81 HN CYS 81 2.263 -9.890 1.516 552 HA CYS 81 HA CYS 81 3.594 -9.824 -1.054 553 HB2 CYS 81 HB2 CYS 81 4.866 -9.423 1.661 554 HB3 CYS 81 HB1 CYS 81 5.445 -8.847 0.105 555 H LYS 82 HN LYS 82 5.508 -11.121 -1.507 556 HA LYS 82 HA LYS 82 4.804 -13.832 -0.876 557 HB2 LYS 82 HB2 LYS 82 7.002 -12.872 -2.687 558 HB3 LYS 82 HB1 LYS 82 6.271 -14.469 -2.666 559 HG2 LYS 82 HG2 LYS 82 4.948 -11.890 -3.432 560 HG3 LYS 82 HG1 LYS 82 5.455 -13.177 -4.526 561 HD2 LYS 82 HD2 LYS 82 3.815 -14.666 -3.629 562 HD3 LYS 82 HD1 LYS 82 3.426 -13.534 -2.328 563 HE2 LYS 82 HE2 LYS 82 1.714 -13.273 -3.926 564 HE3 LYS 82 HE1 LYS 82 2.793 -11.890 -4.124 565 HZ1 LYS 82 HZ1 LYS 82 2.305 -12.651 -6.274 566 HZ2 LYS 82 HZ2 LYS 82 2.567 -14.275 -5.867 567 HZ3 LYS 82 HZ3 LYS 82 3.877 -13.201 -5.956 568 H GLU 83 HN GLU 83 6.856 -15.387 -0.912 569 HA GLU 83 HA GLU 83 8.040 -15.305 1.576 570 HB2 GLU 83 HB2 GLU 83 9.005 -16.737 -0.889 571 HB3 GLU 83 HB1 GLU 83 9.510 -17.093 0.756 572 HG2 GLU 83 HG2 GLU 83 7.179 -17.598 1.320 573 HG3 GLU 83 HG1 GLU 83 6.732 -17.328 -0.357 574 HA PRO 84 HA PRO 84 12.061 -13.486 -0.177 575 HB2 PRO 84 HB2 PRO 84 12.179 -12.342 -2.579 576 HB3 PRO 84 HB1 PRO 84 12.316 -14.089 -2.388 577 HG2 PRO 84 HG2 PRO 84 10.034 -12.474 -3.359 578 HG3 PRO 84 HG1 PRO 84 10.527 -14.114 -3.812 579 HD2 PRO 84 HD2 PRO 84 8.493 -13.401 -1.998 580 HD3 PRO 84 HD1 PRO 84 9.175 -15.014 -2.238 581 H THR 85 HN THR 85 9.363 -12.230 0.481 582 HA THR 85 HA THR 85 10.399 -9.494 0.586 583 HB THR 85 HB THR 85 8.276 -8.539 0.075 584 HG1 THR 85 HG1 THR 85 7.326 -10.947 0.908 585 HG21 THR 85 HG21 THR 85 7.644 -9.631 -2.115 586 HG22 THR 85 HG22 THR 85 8.854 -10.872 -1.750 587 HG23 THR 85 HG23 THR 85 9.340 -9.185 -1.943 588 HA PRO 86 HA PRO 86 9.689 -11.432 4.731 589 HB2 PRO 86 HB2 PRO 86 11.872 -9.578 5.424 590 HB3 PRO 86 HB1 PRO 86 11.751 -11.315 5.716 591 HG2 PRO 86 HG2 PRO 86 13.413 -10.318 3.882 592 HG3 PRO 86 HG1 PRO 86 12.534 -11.837 3.600 593 HD2 PRO 86 HD2 PRO 86 11.981 -9.081 2.554 594 HD3 PRO 86 HD1 PRO 86 11.888 -10.656 1.729 595 H ASN 87 HN ASN 87 9.099 -8.482 3.458 596 HA ASN 87 HA ASN 87 8.003 -7.374 5.907 597 HB2 ASN 87 HB2 ASN 87 9.872 -5.790 4.153 598 HB3 ASN 87 HB1 ASN 87 9.154 -5.274 5.659 599 HD21 ASN 87 HD21 ASN 87 11.599 -7.066 4.130 600 HD22 ASN 87 HD22 ASN 87 12.571 -7.434 5.510 601 H ALA 88 HN ALA 88 7.017 -5.091 5.184 602 HA ALA 88 HA ALA 88 5.985 -5.236 2.454 603 HB1 ALA 88 HB1 ALA 88 4.186 -4.975 4.860 604 HB2 ALA 88 HB2 ALA 88 4.359 -6.425 3.869 605 HB3 ALA 88 HB3 ALA 88 3.690 -4.950 3.169 606 H TYR 89 HN TYR 89 5.342 -3.256 1.616 607 HA TYR 89 HA TYR 89 6.303 -0.910 3.023 608 HB2 TYR 89 HB2 TYR 89 4.873 -1.110 0.355 609 HB3 TYR 89 HB1 TYR 89 5.655 0.329 0.992 610 HD1 TYR 89 HD1 TYR 89 7.744 -2.408 1.773 611 HD2 TYR 89 HD2 TYR 89 6.497 0.034 -1.476 612 HE1 TYR 89 HE1 TYR 89 9.814 -2.940 0.573 613 HE2 TYR 89 HE2 TYR 89 8.560 -0.493 -2.683 614 HH TYR 89 HH TYR 89 10.477 -1.559 -2.654 615 H TYR 90 HN TYR 90 5.060 -0.248 4.607 616 HA TYR 90 HA TYR 90 3.312 0.224 5.934 617 HB2 TYR 90 HB2 TYR 90 2.628 1.461 3.591 618 HB3 TYR 90 HB1 TYR 90 1.231 0.427 3.861 619 HD1 TYR 90 HD1 TYR 90 1.615 3.574 4.084 620 HD2 TYR 90 HD2 TYR 90 1.347 0.414 6.906 621 HE1 TYR 90 HE1 TYR 90 0.791 5.155 5.759 622 HE2 TYR 90 HE2 TYR 90 0.508 1.990 8.600 623 HH TYR 90 HH TYR 90 -0.570 5.097 7.839 624 H GLU 91 HN GLU 91 0.510 -0.688 4.522 625 HA GLU 91 HA GLU 91 0.507 -3.031 6.243 626 HB2 GLU 91 HB2 GLU 91 -1.974 -2.535 4.787 627 HB3 GLU 91 HB1 GLU 91 -1.691 -2.666 6.514 628 HG2 GLU 91 HG2 GLU 91 -2.455 -0.495 6.303 629 HG3 GLU 91 HG1 GLU 91 -0.713 -0.267 6.269 630 H GLY 92 HN GLY 92 1.401 -2.655 3.137 631 HA2 GLY 92 HA2 GLY 92 1.872 -4.856 2.001 632 HA3 GLY 92 HA1 GLY 92 0.163 -5.204 2.247 633 H VAL 93 HN VAL 93 0.434 -1.977 1.696 634 HA VAL 93 HA VAL 93 -0.838 -1.979 -0.773 635 HB VAL 93 HB VAL 93 0.872 0.260 0.369 636 HG11 VAL 93 HG11 VAL 93 -1.544 0.332 -1.415 637 HG12 VAL 93 HG12 VAL 93 0.127 0.579 -1.933 638 HG13 VAL 93 HG13 VAL 93 -0.632 1.724 -0.826 639 HG21 VAL 93 HG21 VAL 93 -1.389 1.043 1.279 640 HG22 VAL 93 HG22 VAL 93 -0.538 -0.244 2.132 641 HG23 VAL 93 HG23 VAL 93 -1.897 -0.638 1.075 642 H PHE 94 HN PHE 94 2.524 -1.916 0.093 643 HA PHE 94 HA PHE 94 3.167 -2.762 -2.584 644 HB2 PHE 94 HB2 PHE 94 5.387 -1.188 -2.066 645 HB3 PHE 94 HB1 PHE 94 4.147 -0.875 -3.255 646 HD1 PHE 94 HD1 PHE 94 2.506 -0.186 -0.223 647 HD2 PHE 94 HD2 PHE 94 5.611 1.316 -2.715 648 HE1 PHE 94 HE1 PHE 94 2.184 2.049 0.729 649 HE2 PHE 94 HE2 PHE 94 5.289 3.553 -1.763 650 HZ PHE 94 HZ PHE 94 3.573 3.925 -0.038 651 H CYS 95 HN CYS 95 5.408 -3.760 -2.650 652 HA CYS 95 HA CYS 95 6.501 -4.438 -0.030 653 HB2 CYS 95 HB2 CYS 95 6.051 -6.741 -1.900 654 HB3 CYS 95 HB1 CYS 95 6.273 -6.748 -0.151 655 H SER 96 HN SER 96 8.601 -5.713 -0.323 656 HA SER 96 HA SER 96 9.953 -4.834 -2.795 657 HB2 SER 96 HB2 SER 96 10.813 -3.705 -0.779 658 HB3 SER 96 HB1 SER 96 11.148 -5.272 -0.049 659 HG SER 96 HG SER 96 12.650 -5.659 -1.724 660 H SER 97 HN SER 97 10.592 -6.408 -4.083 661 HA SER 97 HA SER 97 10.589 -9.134 -3.110 662 HB2 SER 97 HB2 SER 97 10.997 -9.617 -5.589 663 HB3 SER 97 HB1 SER 97 9.458 -8.852 -5.174 664 HG SER 97 HG SER 97 11.263 -7.976 -6.876 665 H SER 98 HN SER 98 12.352 -10.591 -3.969 666 HA SER 98 HA SER 98 14.510 -11.251 -4.171 667 HB2 SER 98 HB2 SER 98 14.562 -9.331 -5.867 668 HB3 SER 98 HB1 SER 98 15.315 -8.373 -4.594 669 HG SER 98 HG SER 98 16.283 -10.719 -5.851 670 H SER 99 HN SER 99 13.391 -10.596 -1.630 671 HA SER 99 HA SER 99 15.782 -9.701 -0.188 672 HB2 SER 99 HB2 SER 99 13.427 -9.781 1.487 673 HB3 SER 99 HB1 SER 99 14.507 -8.444 1.126 674 HG SER 99 HG SER 99 12.469 -9.294 -0.649 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 15.976 -1.460 -4.274 2 H2 GLY 1 HT2 GLY 1 16.186 -0.921 -2.685 3 H3 GLY 1 HT3 GLY 1 14.776 -1.754 -3.111 4 HA2 GLY 1 HA2 GLY 1 17.521 -2.879 -3.074 5 HA3 GLY 1 HA1 GLY 1 16.075 -3.745 -3.573 6 H VAL 2 HN VAL 2 17.218 -5.054 -1.842 7 HA VAL 2 HA VAL 2 17.277 -6.063 0.138 8 HB VAL 2 HB VAL 2 18.117 -3.593 0.702 9 HG11 VAL 2 HG11 VAL 2 15.984 -2.686 1.294 10 HG12 VAL 2 HG12 VAL 2 16.977 -2.800 2.750 11 HG13 VAL 2 HG13 VAL 2 15.698 -3.983 2.453 12 HG21 VAL 2 HG21 VAL 2 19.007 -5.638 1.621 13 HG22 VAL 2 HG22 VAL 2 17.619 -5.790 2.699 14 HG23 VAL 2 HG23 VAL 2 18.755 -4.456 2.906 15 H ASP 3 HN ASP 3 16.039 -6.489 2.221 16 HA ASP 3 HA ASP 3 13.389 -7.107 1.619 17 HB2 ASP 3 HB2 ASP 3 13.160 -7.738 3.967 18 HB3 ASP 3 HB1 ASP 3 14.654 -8.356 3.277 19 HA PRO 4 HA PRO 4 11.318 -3.408 1.417 20 HB2 PRO 4 HB2 PRO 4 8.940 -4.408 2.583 21 HB3 PRO 4 HB1 PRO 4 9.340 -4.218 0.883 22 HG2 PRO 4 HG2 PRO 4 9.448 -6.601 2.595 23 HG3 PRO 4 HG1 PRO 4 9.273 -6.490 0.838 24 HD2 PRO 4 HD2 PRO 4 11.517 -7.338 2.048 25 HD3 PRO 4 HD1 PRO 4 11.538 -6.455 0.514 26 H LYS 5 HN LYS 5 11.900 -4.527 4.662 27 HA LYS 5 HA LYS 5 10.068 -2.696 5.911 28 HB2 LYS 5 HB2 LYS 5 11.213 -3.318 8.032 29 HB3 LYS 5 HB1 LYS 5 10.541 -4.658 7.139 30 HG2 LYS 5 HG2 LYS 5 12.586 -5.491 7.800 31 HG3 LYS 5 HG1 LYS 5 12.949 -4.896 6.181 32 HD2 LYS 5 HD2 LYS 5 13.767 -2.783 7.206 33 HD3 LYS 5 HD1 LYS 5 13.521 -3.503 8.797 34 HE2 LYS 5 HE2 LYS 5 15.463 -4.323 6.654 35 HE3 LYS 5 HE1 LYS 5 15.813 -3.773 8.291 36 HZ1 LYS 5 HZ1 LYS 5 14.680 -6.366 7.430 37 HZ2 LYS 5 HZ2 LYS 5 14.582 -5.831 9.040 38 HZ3 LYS 5 HZ3 LYS 5 16.098 -6.079 8.321 39 H HIS 6 HN HIS 6 12.492 -1.776 4.204 40 HA HIS 6 HA HIS 6 14.026 -0.218 6.048 41 HB2 HIS 6 HB2 HIS 6 14.862 0.863 3.851 42 HB3 HIS 6 HB1 HIS 6 15.260 -0.826 4.169 43 HD1 HIS 6 HD1 HIS 6 14.016 -2.612 2.744 44 HD2 HIS 6 HD2 HIS 6 13.208 1.330 1.743 45 HE1 HIS 6 HE1 HIS 6 12.732 -2.719 0.594 46 HE2 HIS 6 HE2 HIS 6 12.290 -0.325 -0.033 47 H VAL 7 HN VAL 7 11.021 0.116 5.618 48 HA VAL 7 HA VAL 7 9.440 1.709 5.717 49 HB VAL 7 HB VAL 7 9.829 3.399 7.404 50 HG11 VAL 7 HG11 VAL 7 11.084 0.712 7.982 51 HG12 VAL 7 HG12 VAL 7 9.385 1.156 8.142 52 HG13 VAL 7 HG13 VAL 7 10.585 1.871 9.218 53 HG21 VAL 7 HG21 VAL 7 12.028 3.666 8.473 54 HG22 VAL 7 HG22 VAL 7 12.048 4.183 6.787 55 HG23 VAL 7 HG23 VAL 7 12.745 2.627 7.242 56 H CYS 8 HN CYS 8 9.895 4.618 6.066 57 HA CYS 8 HA CYS 8 10.831 5.502 3.460 58 HB2 CYS 8 HB2 CYS 8 8.724 4.712 2.785 59 HB3 CYS 8 HB1 CYS 8 7.930 5.289 4.226 60 H VAL 9 HN VAL 9 10.801 7.720 3.177 61 HA VAL 9 HA VAL 9 9.376 9.444 5.003 62 HB VAL 9 HB VAL 9 11.495 10.977 4.929 63 HG11 VAL 9 HG11 VAL 9 10.587 10.062 7.008 64 HG12 VAL 9 HG12 VAL 9 12.351 10.014 7.024 65 HG13 VAL 9 HG13 VAL 9 11.431 8.542 6.708 66 HG21 VAL 9 HG21 VAL 9 12.779 9.642 3.404 67 HG22 VAL 9 HG22 VAL 9 12.652 8.240 4.471 68 HG23 VAL 9 HG23 VAL 9 13.602 9.648 4.971 69 H ASP 10 HN ASP 10 8.078 10.114 3.340 70 HA ASP 10 HA ASP 10 9.419 11.273 1.014 71 HB2 ASP 10 HB2 ASP 10 8.618 9.168 0.268 72 HB3 ASP 10 HB1 ASP 10 7.062 9.409 1.033 73 H THR 11 HN THR 11 8.261 12.937 -0.048 74 HA THR 11 HA THR 11 6.754 14.548 -0.467 75 HB THR 11 HB THR 11 5.320 12.292 0.756 76 HG1 THR 11 HG1 THR 11 5.507 11.846 -1.282 77 HG21 THR 11 HG21 THR 11 3.930 14.019 1.583 78 HG22 THR 11 HG22 THR 11 3.132 13.334 0.166 79 HG23 THR 11 HG23 THR 11 3.977 14.880 0.044 80 H ARG 12 HN ARG 12 5.364 16.254 0.419 81 HA ARG 12 HA ARG 12 6.282 17.110 3.028 82 HB2 ARG 12 HB2 ARG 12 4.370 18.571 1.261 83 HB3 ARG 12 HB1 ARG 12 5.444 19.235 2.467 84 HG2 ARG 12 HG2 ARG 12 6.194 18.103 -0.212 85 HG3 ARG 12 HG1 ARG 12 6.297 19.784 0.309 86 HD2 ARG 12 HD2 ARG 12 7.950 19.089 2.028 87 HD3 ARG 12 HD1 ARG 12 7.899 17.454 1.363 88 HE ARG 12 HE ARG 12 8.529 18.868 -0.809 89 HH11 ARG 12 HH11 ARG 12 9.814 18.969 2.450 90 HH12 ARG 12 HH12 ARG 12 11.387 19.511 1.943 91 HH21 ARG 12 HH21 ARG 12 10.596 19.548 -1.469 92 HH22 ARG 12 HH22 ARG 12 11.839 19.829 -0.285 93 H ASP 13 HN ASP 13 3.253 16.412 1.362 94 HA ASP 13 HA ASP 13 2.010 15.840 3.968 95 HB2 ASP 13 HB2 ASP 13 1.229 18.069 3.219 96 HB3 ASP 13 HB1 ASP 13 0.664 17.358 1.713 97 H ILE 14 HN ILE 14 2.314 13.640 3.573 98 HA ILE 14 HA ILE 14 1.203 12.383 1.251 99 HB ILE 14 HB ILE 14 1.967 11.203 3.935 100 HG12 ILE 14 HG12 ILE 14 3.481 10.550 1.499 101 HG13 ILE 14 HG11 ILE 14 3.591 12.236 1.993 102 HG21 ILE 14 HG21 ILE 14 1.212 9.842 1.348 103 HG22 ILE 14 HG22 ILE 14 0.323 9.776 2.869 104 HG23 ILE 14 HG23 ILE 14 1.923 9.025 2.742 105 HD11 ILE 14 HD11 ILE 14 4.363 11.532 4.188 106 HD12 ILE 14 HD12 ILE 14 5.406 10.934 2.895 107 HD13 ILE 14 HD13 ILE 14 4.259 9.844 3.682 108 HA PRO 15 HA PRO 15 -3.024 12.834 2.131 109 HB2 PRO 15 HB2 PRO 15 -3.189 10.118 0.913 110 HB3 PRO 15 HB1 PRO 15 -4.088 11.582 0.541 111 HG2 PRO 15 HG2 PRO 15 -2.171 10.857 -1.075 112 HG3 PRO 15 HG1 PRO 15 -2.293 12.561 -0.599 113 HD2 PRO 15 HD2 PRO 15 -0.482 10.429 0.443 114 HD3 PRO 15 HD1 PRO 15 -0.090 12.097 0.008 115 H LYS 16 HN LYS 16 -4.657 12.121 3.441 116 HA LYS 16 HA LYS 16 -3.830 11.084 5.869 117 HB2 LYS 16 HB2 LYS 16 -5.656 12.671 5.633 118 HB3 LYS 16 HB1 LYS 16 -6.594 11.486 4.743 119 HG2 LYS 16 HG2 LYS 16 -7.391 11.698 7.012 120 HG3 LYS 16 HG1 LYS 16 -6.719 10.091 6.731 121 HD2 LYS 16 HD2 LYS 16 -4.674 10.703 7.851 122 HD3 LYS 16 HD1 LYS 16 -5.235 12.365 8.037 123 HE2 LYS 16 HE2 LYS 16 -6.535 9.932 9.261 124 HE3 LYS 16 HE1 LYS 16 -5.470 11.051 10.110 125 HZ1 LYS 16 HZ1 LYS 16 -8.107 11.709 8.902 126 HZ2 LYS 16 HZ2 LYS 16 -7.067 12.835 9.631 127 HZ3 LYS 16 HZ3 LYS 16 -7.754 11.590 10.555 128 H ASN 17 HN ASN 17 -5.586 9.541 3.273 129 HA ASN 17 HA ASN 17 -5.574 7.066 4.833 130 HB2 ASN 17 HB2 ASN 17 -7.081 7.765 2.300 131 HB3 ASN 17 HB1 ASN 17 -7.235 6.262 3.204 132 HD21 ASN 17 HD21 ASN 17 -6.872 7.815 5.721 133 HD22 ASN 17 HD22 ASN 17 -8.412 8.530 6.018 134 H ALA 18 HN ALA 18 -3.203 8.064 3.901 135 HA ALA 18 HA ALA 18 -2.460 6.163 1.795 136 HB1 ALA 18 HB1 ALA 18 -1.703 9.085 1.843 137 HB2 ALA 18 HB2 ALA 18 -2.785 8.306 0.687 138 HB3 ALA 18 HB3 ALA 18 -1.072 7.877 0.715 139 H GLY 19 HN GLY 19 -0.341 5.524 1.847 140 HA2 GLY 19 HA2 GLY 19 1.271 6.448 4.138 141 HA3 GLY 19 HA1 GLY 19 1.165 4.743 3.703 142 H CYS 20 HN CYS 20 3.594 6.259 3.808 143 HA CYS 20 HA CYS 20 4.180 6.625 0.959 144 HB2 CYS 20 HB2 CYS 20 5.710 8.270 1.481 145 HB3 CYS 20 HB1 CYS 20 4.502 8.523 2.727 146 H PHE 21 HN PHE 21 5.975 5.705 0.081 147 HA PHE 21 HA PHE 21 7.578 4.004 1.843 148 HB2 PHE 21 HB2 PHE 21 6.325 2.473 0.602 149 HB3 PHE 21 HB1 PHE 21 6.587 3.345 -0.901 150 HD1 PHE 21 HD1 PHE 21 8.506 1.930 1.800 151 HD2 PHE 21 HD2 PHE 21 8.220 2.430 -2.356 152 HE1 PHE 21 HE1 PHE 21 10.502 0.545 1.520 153 HE2 PHE 21 HE2 PHE 21 10.229 1.057 -2.668 154 HZ PHE 21 HZ PHE 21 11.374 0.110 -0.679 155 H ARG 22 HN ARG 22 9.684 4.096 1.636 156 HA ARG 22 HA ARG 22 10.813 5.346 -0.741 157 HB2 ARG 22 HB2 ARG 22 10.995 7.178 0.721 158 HB3 ARG 22 HB1 ARG 22 11.380 6.158 2.094 159 HG2 ARG 22 HG2 ARG 22 13.473 5.517 1.004 160 HG3 ARG 22 HG1 ARG 22 13.109 6.651 -0.287 161 HD2 ARG 22 HD2 ARG 22 13.160 8.471 1.334 162 HD3 ARG 22 HD1 ARG 22 13.542 7.311 2.608 163 HE ARG 22 HE ARG 22 15.420 6.738 0.831 164 HH11 ARG 22 HH11 ARG 22 14.362 9.886 1.936 165 HH12 ARG 22 HH12 ARG 22 15.951 10.592 1.869 166 HH21 ARG 22 HH21 ARG 22 17.507 7.645 0.760 167 HH22 ARG 22 HH22 ARG 22 17.743 9.319 1.181 168 H ASP 23 HN ASP 23 12.271 3.959 -1.598 169 HA ASP 23 HA ASP 23 12.781 1.648 0.043 170 HB2 ASP 23 HB2 ASP 23 13.108 0.423 -1.807 171 HB3 ASP 23 HB1 ASP 23 12.130 1.713 -2.503 172 H ASP 24 HN ASP 24 15.112 0.602 -0.605 173 HA ASP 24 HA ASP 24 16.947 2.032 0.963 174 HB2 ASP 24 HB2 ASP 24 16.986 -0.384 0.802 175 HB3 ASP 24 HB1 ASP 24 17.331 -0.284 -0.917 176 H ASP 25 HN ASP 25 16.380 1.936 -2.482 177 HA ASP 25 HA ASP 25 18.866 3.059 -3.307 178 HB2 ASP 25 HB2 ASP 25 17.343 1.812 -4.814 179 HB3 ASP 25 HB1 ASP 25 16.179 3.127 -4.704 180 H GLY 26 HN GLY 26 16.019 4.406 -1.923 181 HA2 GLY 26 HA2 GLY 26 16.173 6.640 -0.976 182 HA3 GLY 26 HA1 GLY 26 17.092 7.116 -2.398 183 H THR 27 HN THR 27 14.807 5.143 -3.527 184 HA THR 27 HA THR 27 13.266 7.097 -4.834 185 HB THR 27 HB THR 27 12.470 4.275 -4.196 186 HG1 THR 27 HG1 THR 27 14.240 3.742 -5.186 187 HG21 THR 27 HG21 THR 27 11.380 4.349 -6.410 188 HG22 THR 27 HG22 THR 27 11.879 6.030 -6.591 189 HG23 THR 27 HG23 THR 27 10.740 5.579 -5.323 190 H GLU 28 HN GLU 28 11.192 7.926 -4.369 191 HA GLU 28 HA GLU 28 10.025 7.127 -1.791 192 HB2 GLU 28 HB2 GLU 28 10.629 9.940 -2.698 193 HB3 GLU 28 HB1 GLU 28 9.574 9.562 -1.345 194 HG2 GLU 28 HG2 GLU 28 11.313 8.805 -0.023 195 HG3 GLU 28 HG1 GLU 28 12.367 8.500 -1.401 196 H GLU 29 HN GLU 29 7.972 6.612 -1.971 197 HA GLU 29 HA GLU 29 6.241 7.955 -3.921 198 HB2 GLU 29 HB2 GLU 29 6.948 6.228 -5.325 199 HB3 GLU 29 HB1 GLU 29 7.058 5.073 -4.010 200 HG2 GLU 29 HG2 GLU 29 4.561 5.121 -3.878 201 HG3 GLU 29 HG1 GLU 29 4.565 6.092 -5.349 202 H TRP 30 HN TRP 30 4.248 8.234 -3.026 203 HA TRP 30 HA TRP 30 3.593 6.455 -0.796 204 HB2 TRP 30 HB2 TRP 30 1.969 8.119 -0.044 205 HB3 TRP 30 HB1 TRP 30 3.586 8.798 -0.141 206 HD1 TRP 30 HD TRP 30 3.843 10.970 -1.475 207 HE1 TRP 30 HE1 TRP 30 2.285 12.406 -2.939 208 HE3 TRP 30 HE3 TRP 30 -0.098 7.742 -1.802 209 HZ2 TRP 30 HZ2 TRP 30 -0.312 12.184 -4.062 210 HZ3 TRP 30 HZ3 TRP 30 -2.091 8.446 -3.095 211 HH2 TRP 30 HH TRP 30 -2.174 10.618 -4.200 212 H ARG 31 HN ARG 31 1.460 5.683 -0.596 213 HA ARG 31 HA ARG 31 -0.060 5.475 -3.099 214 HB2 ARG 31 HB2 ARG 31 0.824 3.148 -1.393 215 HB3 ARG 31 HB1 ARG 31 -0.410 3.042 -2.636 216 HG2 ARG 31 HG2 ARG 31 1.397 3.872 -4.243 217 HG3 ARG 31 HG1 ARG 31 2.524 3.494 -2.940 218 HD2 ARG 31 HD2 ARG 31 1.551 1.187 -2.881 219 HD3 ARG 31 HD1 ARG 31 0.663 1.593 -4.349 220 HE ARG 31 HE ARG 31 3.477 2.102 -4.584 221 HH11 ARG 31 HH11 ARG 31 1.153 -0.527 -4.582 222 HH12 ARG 31 HH12 ARG 31 2.022 -1.462 -5.758 223 HH21 ARG 31 HH21 ARG 31 4.625 0.869 -6.116 224 HH22 ARG 31 HH22 ARG 31 4.002 -0.673 -6.624 225 H CYS 32 HN CYS 32 -2.079 3.971 -2.428 226 HA CYS 32 HA CYS 32 -3.261 5.391 -0.127 227 HB2 CYS 32 HB2 CYS 32 -4.626 4.134 -2.534 228 HB3 CYS 32 HB1 CYS 32 -5.437 5.003 -1.236 229 H LEU 33 HN LEU 33 -4.015 4.215 1.491 230 HA LEU 33 HA LEU 33 -2.880 1.694 1.832 231 HB2 LEU 33 HB2 LEU 33 -5.127 2.862 3.438 232 HB3 LEU 33 HB1 LEU 33 -4.000 1.637 3.966 233 HG LEU 33 HG LEU 33 -3.595 4.586 3.649 234 HD11 LEU 33 HD11 LEU 33 -2.896 2.613 5.816 235 HD12 LEU 33 HD12 LEU 33 -4.283 3.711 5.812 236 HD13 LEU 33 HD13 LEU 33 -2.644 4.361 5.881 237 HD21 LEU 33 HD21 LEU 33 -1.260 4.432 3.705 238 HD22 LEU 33 HD22 LEU 33 -1.768 3.340 2.410 239 HD23 LEU 33 HD23 LEU 33 -1.292 2.686 3.979 240 H LEU 34 HN LEU 34 -4.159 -0.216 2.624 241 HA LEU 34 HA LEU 34 -5.375 -1.261 0.373 242 HB2 LEU 34 HB2 LEU 34 -5.427 -2.347 3.179 243 HB3 LEU 34 HB1 LEU 34 -5.633 -3.259 1.689 244 HG LEU 34 HG LEU 34 -3.124 -1.820 2.550 245 HD11 LEU 34 HD11 LEU 34 -3.588 -3.908 3.769 246 HD12 LEU 34 HD12 LEU 34 -2.148 -3.995 2.753 247 HD13 LEU 34 HD13 LEU 34 -3.649 -4.762 2.223 248 HD21 LEU 34 HD21 LEU 34 -3.516 -1.732 0.127 249 HD22 LEU 34 HD22 LEU 34 -3.639 -3.493 0.102 250 HD23 LEU 34 HD23 LEU 34 -2.117 -2.722 0.551 251 H GLY 35 HN GLY 35 -7.387 -1.486 -0.263 252 HA2 GLY 35 HA2 GLY 35 -9.714 -1.626 -0.074 253 HA3 GLY 35 HA1 GLY 35 -9.591 -1.065 1.588 254 H TYR 36 HN TYR 36 -7.674 1.058 0.194 255 HA TYR 36 HA TYR 36 -9.863 2.983 0.079 256 HB2 TYR 36 HB2 TYR 36 -6.882 3.416 0.248 257 HB3 TYR 36 HB1 TYR 36 -8.103 4.685 0.301 258 HD1 TYR 36 HD1 TYR 36 -6.385 4.817 2.407 259 HD2 TYR 36 HD2 TYR 36 -9.636 2.132 1.995 260 HE1 TYR 36 HE1 TYR 36 -6.507 4.586 4.856 261 HE2 TYR 36 HE2 TYR 36 -9.774 1.892 4.431 262 HH TYR 36 HH TYR 36 -8.459 2.186 6.386 263 H LYS 37 HN LYS 37 -8.934 4.999 -1.365 264 HA LYS 37 HA LYS 37 -8.272 4.048 -4.028 265 HB2 LYS 37 HB2 LYS 37 -10.301 5.113 -4.980 266 HB3 LYS 37 HB1 LYS 37 -10.678 3.749 -3.952 267 HG2 LYS 37 HG2 LYS 37 -11.179 5.329 -2.115 268 HG3 LYS 37 HG1 LYS 37 -10.914 6.662 -3.240 269 HD2 LYS 37 HD2 LYS 37 -12.720 5.791 -4.663 270 HD3 LYS 37 HD1 LYS 37 -12.979 4.492 -3.503 271 HE2 LYS 37 HE2 LYS 37 -13.627 6.048 -1.804 272 HE3 LYS 37 HE1 LYS 37 -13.205 7.414 -2.834 273 HZ1 LYS 37 HZ1 LYS 37 -15.651 6.723 -2.643 274 HZ2 LYS 37 HZ2 LYS 37 -15.237 5.463 -3.705 275 HZ3 LYS 37 HZ3 LYS 37 -15.029 7.077 -4.181 276 H LYS 38 HN LYS 38 -8.238 5.989 -5.552 277 HA LYS 38 HA LYS 38 -6.852 8.161 -4.174 278 HB2 LYS 38 HB2 LYS 38 -5.947 6.890 -6.240 279 HB3 LYS 38 HB1 LYS 38 -7.089 7.858 -7.157 280 HG2 LYS 38 HG2 LYS 38 -5.169 9.100 -7.314 281 HG3 LYS 38 HG1 LYS 38 -5.991 9.857 -5.947 282 HD2 LYS 38 HD2 LYS 38 -3.989 9.584 -4.933 283 HD3 LYS 38 HD1 LYS 38 -4.599 7.938 -4.663 284 HE2 LYS 38 HE2 LYS 38 -2.919 8.812 -7.011 285 HE3 LYS 38 HE1 LYS 38 -2.293 7.999 -5.581 286 HZ1 LYS 38 HZ1 LYS 38 -2.639 6.446 -7.390 287 HZ2 LYS 38 HZ2 LYS 38 -4.274 6.880 -7.494 288 HZ3 LYS 38 HZ3 LYS 38 -3.695 6.091 -6.112 289 H GLY 39 HN GLY 39 -7.610 10.189 -4.043 290 HA2 GLY 39 HA2 GLY 39 -10.356 10.560 -4.997 291 HA3 GLY 39 HA1 GLY 39 -9.582 11.466 -3.706 292 H GLU 40 HN GLU 40 -8.610 13.355 -4.165 293 HA GLU 40 HA GLU 40 -9.241 14.486 -6.754 294 HB2 GLU 40 HB2 GLU 40 -8.611 16.630 -5.690 295 HB3 GLU 40 HB1 GLU 40 -9.813 15.745 -4.762 296 HG2 GLU 40 HG2 GLU 40 -7.985 14.909 -3.299 297 HG3 GLU 40 HG1 GLU 40 -6.871 15.958 -4.175 298 H GLY 41 HN GLY 41 -7.363 12.699 -7.249 299 HA2 GLY 41 HA2 GLY 41 -5.495 12.734 -8.659 300 HA3 GLY 41 HA1 GLY 41 -5.155 14.373 -8.122 301 H ASN 42 HN ASN 42 -4.399 14.581 -5.837 302 HA ASN 42 HA ASN 42 -2.554 12.359 -5.272 303 HB2 ASN 42 HB2 ASN 42 -1.066 14.025 -4.216 304 HB3 ASN 42 HB1 ASN 42 -1.328 14.342 -5.927 305 HD21 ASN 42 HD21 ASN 42 -0.431 16.130 -3.853 306 HD22 ASN 42 HD22 ASN 42 -1.564 17.438 -3.795 307 H THR 43 HN THR 43 -5.008 12.042 -4.257 308 HA THR 43 HA THR 43 -4.402 12.197 -1.415 309 HB THR 43 HB THR 43 -6.812 12.582 -0.872 310 HG1 THR 43 HG1 THR 43 -8.148 13.427 -2.418 311 HG21 THR 43 HG21 THR 43 -5.303 14.804 -2.235 312 HG22 THR 43 HG22 THR 43 -5.194 14.330 -0.538 313 HG23 THR 43 HG23 THR 43 -6.685 15.032 -1.166 314 H CYS 44 HN CYS 44 -5.398 10.648 -0.176 315 HA CYS 44 HA CYS 44 -6.558 8.425 -1.685 316 HB2 CYS 44 HB2 CYS 44 -4.749 8.319 0.732 317 HB3 CYS 44 HB1 CYS 44 -5.501 6.923 -0.035 318 H VAL 45 HN VAL 45 -8.332 7.519 -0.868 319 HA VAL 45 HA VAL 45 -9.454 8.593 1.601 320 HB VAL 45 HB VAL 45 -11.647 8.959 0.444 321 HG11 VAL 45 HG11 VAL 45 -11.049 11.154 -0.473 322 HG12 VAL 45 HG12 VAL 45 -9.350 10.678 -0.510 323 HG13 VAL 45 HG13 VAL 45 -10.188 10.839 1.035 324 HG21 VAL 45 HG21 VAL 45 -11.219 7.630 -1.569 325 HG22 VAL 45 HG22 VAL 45 -9.961 8.770 -2.057 326 HG23 VAL 45 HG23 VAL 45 -11.642 9.293 -1.984 327 H GLU 46 HN GLU 46 -11.219 7.382 2.389 328 HA GLU 46 HA GLU 46 -10.706 4.610 2.166 329 HB2 GLU 46 HB2 GLU 46 -12.636 6.312 3.679 330 HB3 GLU 46 HB1 GLU 46 -12.874 4.568 3.642 331 HG2 GLU 46 HG2 GLU 46 -10.733 4.194 4.632 332 HG3 GLU 46 HG1 GLU 46 -10.337 5.913 4.541 333 H ASN 47 HN ASN 47 -11.352 3.386 0.568 334 HA ASN 47 HA ASN 47 -13.978 3.809 -0.643 335 HB2 ASN 47 HB2 ASN 47 -12.157 3.448 -2.211 336 HB3 ASN 47 HB1 ASN 47 -11.668 1.986 -1.366 337 HD21 ASN 47 HD21 ASN 47 -11.795 0.966 -3.379 338 HD22 ASN 47 HD22 ASN 47 -13.313 0.386 -3.975 339 H ASN 48 HN ASN 48 -15.661 2.632 -0.030 340 HA ASN 48 HA ASN 48 -15.168 0.547 1.964 341 HB2 ASN 48 HB2 ASN 48 -17.525 2.272 1.325 342 HB3 ASN 48 HB1 ASN 48 -17.770 0.750 2.177 343 HD21 ASN 48 HD21 ASN 48 -14.830 2.578 2.588 344 HD22 ASN 48 HD22 ASN 48 -15.162 3.115 4.205 345 H ASN 49 HN ASN 49 -15.457 0.659 -1.239 346 HA ASN 49 HA ASN 49 -16.346 -2.141 -1.264 347 HB2 ASN 49 HB2 ASN 49 -18.099 -0.524 -2.147 348 HB3 ASN 49 HB1 ASN 49 -16.973 -0.199 -3.458 349 HD21 ASN 49 HD21 ASN 49 -16.562 -1.815 -4.985 350 HD22 ASN 49 HD22 ASN 49 -17.599 -3.191 -5.170 351 HA PRO 50 HA PRO 50 -12.215 -1.360 -3.471 352 HB2 PRO 50 HB2 PRO 50 -10.886 -3.139 -1.836 353 HB3 PRO 50 HB1 PRO 50 -10.762 -1.391 -1.751 354 HG2 PRO 50 HG2 PRO 50 -12.312 -3.268 -0.097 355 HG3 PRO 50 HG1 PRO 50 -11.593 -1.711 0.335 356 HD2 PRO 50 HD2 PRO 50 -14.244 -2.061 -0.061 357 HD3 PRO 50 HD1 PRO 50 -13.424 -0.534 -0.379 358 H THR 51 HN THR 51 -11.821 -2.625 -5.072 359 HA THR 51 HA THR 51 -12.711 -5.419 -4.991 360 HB THR 51 HB THR 51 -14.157 -4.020 -6.441 361 HG1 THR 51 HG1 THR 51 -14.251 -5.572 -7.937 362 HG21 THR 51 HG21 THR 51 -11.602 -3.572 -7.995 363 HG22 THR 51 HG22 THR 51 -12.574 -2.345 -7.175 364 HG23 THR 51 HG23 THR 51 -13.220 -3.186 -8.584 365 H CYS 52 HN CYS 52 -11.375 -6.912 -6.135 366 HA CYS 52 HA CYS 52 -8.619 -6.036 -6.411 367 HB2 CYS 52 HB2 CYS 52 -9.490 -8.324 -5.484 368 HB3 CYS 52 HB1 CYS 52 -9.684 -8.745 -7.181 369 H ASP 53 HN ASP 53 -7.679 -5.629 -8.349 370 HA ASP 53 HA ASP 53 -8.181 -5.960 -10.927 371 HB2 ASP 53 HB2 ASP 53 -10.633 -5.668 -10.545 372 HB3 ASP 53 HB1 ASP 53 -10.327 -4.058 -9.928 373 H ILE 54 HN ILE 54 -8.767 -3.210 -8.777 374 HA ILE 54 HA ILE 54 -7.805 -1.212 -10.418 375 HB ILE 54 HB ILE 54 -7.866 -1.322 -7.407 376 HG12 ILE 54 HG12 ILE 54 -9.874 -0.144 -9.337 377 HG13 ILE 54 HG11 ILE 54 -10.026 -1.741 -8.601 378 HG21 ILE 54 HG21 ILE 54 -7.965 1.166 -7.531 379 HG22 ILE 54 HG22 ILE 54 -7.568 1.047 -9.246 380 HG23 ILE 54 HG23 ILE 54 -6.418 0.473 -8.030 381 HD11 ILE 54 HD11 ILE 54 -10.100 -0.692 -6.390 382 HD12 ILE 54 HD12 ILE 54 -11.388 -0.100 -7.442 383 HD13 ILE 54 HD13 ILE 54 -9.965 0.898 -7.142 384 H ASN 55 HN ASN 55 -6.121 -1.678 -7.438 385 HA ASN 55 HA ASN 55 -3.645 -2.122 -8.920 386 HB2 ASN 55 HB2 ASN 55 -3.758 0.052 -7.680 387 HB3 ASN 55 HB1 ASN 55 -3.898 -0.867 -6.194 388 HD21 ASN 55 HD21 ASN 55 -1.939 -0.104 -5.381 389 HD22 ASN 55 HD22 ASN 55 -0.427 -0.601 -6.039 390 H ASN 56 HN ASN 56 -5.174 -4.175 -8.615 391 HA ASN 56 HA ASN 56 -5.286 -6.315 -7.764 392 HB2 ASN 56 HB2 ASN 56 -3.102 -5.839 -5.764 393 HB3 ASN 56 HB1 ASN 56 -3.416 -7.270 -6.731 394 HD21 ASN 56 HD21 ASN 56 -1.150 -5.329 -6.146 395 HD22 ASN 56 HD22 ASN 56 -0.458 -5.076 -7.696 396 H GLY 57 HN GLY 57 -6.617 -3.981 -6.619 397 HA2 GLY 57 HA2 GLY 57 -8.289 -3.985 -4.939 398 HA3 GLY 57 HA1 GLY 57 -7.315 -5.128 -4.023 399 H GLY 58 HN GLY 58 -5.051 -3.115 -4.941 400 HA2 GLY 58 HA2 GLY 58 -4.658 -0.820 -4.048 401 HA3 GLY 58 HA1 GLY 58 -5.394 -1.408 -2.558 402 H CYS 59 HN CYS 59 -3.600 -3.687 -4.207 403 HA CYS 59 HA CYS 59 -1.505 -3.709 -2.160 404 HB2 CYS 59 HB2 CYS 59 -2.117 -5.937 -4.080 405 HB3 CYS 59 HB1 CYS 59 -1.399 -6.034 -2.473 406 H ASP 60 HN ASP 60 0.415 -5.006 -3.083 407 HA ASP 60 HA ASP 60 1.318 -3.745 -5.577 408 HB2 ASP 60 HB2 ASP 60 2.641 -3.799 -3.366 409 HB3 ASP 60 HB1 ASP 60 2.853 -5.514 -3.666 410 HA PRO 61 HA PRO 61 0.382 -7.355 -7.864 411 HB2 PRO 61 HB2 PRO 61 3.057 -7.121 -9.128 412 HB3 PRO 61 HB1 PRO 61 1.460 -7.127 -9.872 413 HG2 PRO 61 HG2 PRO 61 2.940 -4.898 -9.634 414 HG3 PRO 61 HG1 PRO 61 1.169 -4.880 -9.573 415 HD2 PRO 61 HD2 PRO 61 3.142 -4.564 -7.386 416 HD3 PRO 61 HD1 PRO 61 1.505 -3.912 -7.545 417 H THR 62 HN THR 62 3.283 -7.113 -6.029 418 HA THR 62 HA THR 62 3.871 -9.957 -6.159 419 HB THR 62 HB THR 62 5.785 -9.430 -4.780 420 HG1 THR 62 HG1 THR 62 5.075 -6.697 -4.620 421 HG21 THR 62 HG21 THR 62 6.837 -7.624 -6.149 422 HG22 THR 62 HG22 THR 62 5.248 -7.302 -6.859 423 HG23 THR 62 HG23 THR 62 6.036 -8.863 -7.117 424 H ALA 63 HN ALA 63 2.039 -7.741 -4.349 425 HA ALA 63 HA ALA 63 1.674 -9.507 -2.075 426 HB1 ALA 63 HB1 ALA 63 0.312 -6.911 -2.843 427 HB2 ALA 63 HB2 ALA 63 1.637 -7.099 -1.688 428 HB3 ALA 63 HB3 ALA 63 0.053 -7.794 -1.332 429 H SER 64 HN SER 64 0.556 -11.300 -2.488 430 HA SER 64 HA SER 64 -1.299 -11.753 -4.513 431 HB2 SER 64 HB2 SER 64 -0.265 -13.554 -3.161 432 HB3 SER 64 HB1 SER 64 -1.211 -13.041 -1.768 433 HG SER 64 HG SER 64 -3.090 -13.632 -2.855 434 H CYS 65 HN CYS 65 -3.213 -10.884 -4.845 435 HA CYS 65 HA CYS 65 -4.545 -9.516 -2.657 436 HB2 CYS 65 HB2 CYS 65 -4.505 -8.165 -4.566 437 HB3 CYS 65 HB1 CYS 65 -4.891 -9.515 -5.622 438 H GLN 66 HN GLN 66 -6.224 -10.147 -1.704 439 HA GLN 66 HA GLN 66 -7.905 -12.280 -2.825 440 HB2 GLN 66 HB2 GLN 66 -7.896 -11.942 0.110 441 HB3 GLN 66 HB1 GLN 66 -7.946 -13.419 -0.849 442 HG2 GLN 66 HG2 GLN 66 -5.447 -11.841 -0.761 443 HG3 GLN 66 HG1 GLN 66 -5.871 -12.817 0.633 444 HE21 GLN 66 HE21 GLN 66 -5.955 -15.080 0.399 445 HE22 GLN 66 HE22 GLN 66 -5.174 -15.881 -0.917 446 H ASN 67 HN ASN 67 -10.007 -11.585 -3.089 447 HA ASN 67 HA ASN 67 -10.678 -9.046 -1.814 448 HB2 ASN 67 HB2 ASN 67 -12.814 -9.247 -3.233 449 HB3 ASN 67 HB1 ASN 67 -11.299 -8.865 -4.023 450 HD21 ASN 67 HD21 ASN 67 -12.094 -9.592 -5.994 451 HD22 ASN 67 HD22 ASN 67 -12.275 -11.274 -6.355 452 H ALA 68 HN ALA 68 -12.200 -8.744 -0.402 453 HA ALA 68 HA ALA 68 -13.847 -10.909 0.592 454 HB1 ALA 68 HB1 ALA 68 -11.546 -9.789 2.184 455 HB2 ALA 68 HB2 ALA 68 -11.770 -11.462 1.665 456 HB3 ALA 68 HB3 ALA 68 -12.852 -10.761 2.871 457 H GLU 69 HN GLU 69 -15.156 -10.140 2.466 458 HA GLU 69 HA GLU 69 -15.447 -7.237 2.431 459 HB2 GLU 69 HB2 GLU 69 -17.817 -7.479 2.830 460 HB3 GLU 69 HB1 GLU 69 -17.352 -8.340 1.367 461 HG2 GLU 69 HG2 GLU 69 -17.398 -10.422 2.492 462 HG3 GLU 69 HG1 GLU 69 -17.628 -9.611 4.038 463 H SER 70 HN SER 70 -15.122 -6.232 4.231 464 HA SER 70 HA SER 70 -15.517 -7.579 6.795 465 HB2 SER 70 HB2 SER 70 -13.107 -7.805 6.194 466 HB3 SER 70 HB1 SER 70 -12.995 -6.053 6.039 467 HG SER 70 HG SER 70 -12.761 -7.547 8.239 468 H THR 71 HN THR 71 -15.702 -6.035 8.561 469 HA THR 71 HA THR 71 -17.159 -3.708 7.898 470 HB THR 71 HB THR 71 -17.396 -4.864 10.061 471 HG1 THR 71 HG1 THR 71 -16.473 -2.182 10.413 472 HG21 THR 71 HG21 THR 71 -15.706 -4.571 11.811 473 HG22 THR 71 HG22 THR 71 -14.654 -3.753 10.654 474 HG23 THR 71 HG23 THR 71 -15.062 -5.455 10.427 475 H GLU 72 HN GLU 72 -13.816 -4.409 8.232 476 HA GLU 72 HA GLU 72 -13.007 -1.614 8.057 477 HB2 GLU 72 HB2 GLU 72 -11.508 -4.199 8.281 478 HB3 GLU 72 HB1 GLU 72 -10.702 -2.670 7.995 479 HG2 GLU 72 HG2 GLU 72 -12.488 -3.151 10.349 480 HG3 GLU 72 HG1 GLU 72 -10.753 -3.503 10.366 481 H ASN 73 HN ASN 73 -12.548 -0.670 6.181 482 HA ASN 73 HA ASN 73 -12.807 -1.952 3.669 483 HB2 ASN 73 HB2 ASN 73 -11.463 0.214 2.941 484 HB3 ASN 73 HB1 ASN 73 -13.139 0.326 3.449 485 HD21 ASN 73 HD21 ASN 73 -13.026 2.395 4.165 486 HD22 ASN 73 HD22 ASN 73 -12.112 2.886 5.552 487 H SER 74 HN SER 74 -10.025 -1.188 5.688 488 HA SER 74 HA SER 74 -8.116 -1.993 3.746 489 HB2 SER 74 HB2 SER 74 -7.521 -0.446 5.559 490 HB3 SER 74 HB1 SER 74 -7.831 -1.704 6.752 491 HG SER 74 HG SER 74 -5.569 -1.207 5.447 492 H LYS 75 HN LYS 75 -10.163 -3.693 5.865 493 HA LYS 75 HA LYS 75 -8.510 -6.101 5.781 494 HB2 LYS 75 HB2 LYS 75 -11.088 -5.529 7.253 495 HB3 LYS 75 HB1 LYS 75 -10.155 -7.015 7.367 496 HG2 LYS 75 HG2 LYS 75 -8.993 -4.349 8.045 497 HG3 LYS 75 HG1 LYS 75 -9.843 -5.350 9.225 498 HD2 LYS 75 HD2 LYS 75 -7.487 -6.278 7.593 499 HD3 LYS 75 HD1 LYS 75 -7.381 -5.659 9.238 500 HE2 LYS 75 HE2 LYS 75 -8.783 -7.420 10.058 501 HE3 LYS 75 HE1 LYS 75 -9.074 -7.999 8.416 502 HZ1 LYS 75 HZ1 LYS 75 -6.405 -7.956 9.733 503 HZ2 LYS 75 HZ2 LYS 75 -6.779 -8.618 8.220 504 HZ3 LYS 75 HZ3 LYS 75 -7.404 -9.323 9.629 505 H LYS 76 HN LYS 76 -10.635 -4.653 3.802 506 HA LYS 76 HA LYS 76 -12.223 -6.931 3.052 507 HB2 LYS 76 HB2 LYS 76 -11.745 -4.354 1.590 508 HB3 LYS 76 HB1 LYS 76 -12.912 -5.588 1.145 509 HG2 LYS 76 HG2 LYS 76 -14.071 -5.218 3.291 510 HG3 LYS 76 HG1 LYS 76 -12.933 -3.913 3.637 511 HD2 LYS 76 HD2 LYS 76 -13.651 -3.011 1.319 512 HD3 LYS 76 HD1 LYS 76 -15.024 -4.083 1.524 513 HE2 LYS 76 HE2 LYS 76 -14.249 -1.967 3.510 514 HE3 LYS 76 HE1 LYS 76 -15.404 -1.707 2.208 515 HZ1 LYS 76 HZ1 LYS 76 -16.559 -2.227 4.223 516 HZ2 LYS 76 HZ2 LYS 76 -15.678 -3.660 4.427 517 HZ3 LYS 76 HZ3 LYS 76 -16.762 -3.510 3.130 518 H ILE 77 HN ILE 77 -9.468 -5.158 1.762 519 HA ILE 77 HA ILE 77 -9.020 -7.302 -0.173 520 HB ILE 77 HB ILE 77 -7.701 -4.597 0.048 521 HG12 ILE 77 HG12 ILE 77 -10.024 -4.437 -0.669 522 HG13 ILE 77 HG11 ILE 77 -8.951 -4.086 -2.020 523 HG21 ILE 77 HG21 ILE 77 -6.167 -6.208 -0.909 524 HG22 ILE 77 HG22 ILE 77 -6.735 -5.097 -2.159 525 HG23 ILE 77 HG23 ILE 77 -7.402 -6.728 -2.059 526 HD11 ILE 77 HD11 ILE 77 -10.284 -6.738 -1.533 527 HD12 ILE 77 HD12 ILE 77 -9.326 -6.271 -2.942 528 HD13 ILE 77 HD13 ILE 77 -10.876 -5.486 -2.630 529 H ILE 78 HN ILE 78 -7.729 -8.828 0.362 530 HA ILE 78 HA ILE 78 -5.846 -8.445 2.554 531 HB ILE 78 HB ILE 78 -6.605 -10.990 1.113 532 HG12 ILE 78 HG12 ILE 78 -7.703 -11.485 3.383 533 HG13 ILE 78 HG11 ILE 78 -7.589 -9.753 3.679 534 HG21 ILE 78 HG21 ILE 78 -4.960 -10.518 3.586 535 HG22 ILE 78 HG22 ILE 78 -4.402 -11.154 2.039 536 HG23 ILE 78 HG23 ILE 78 -5.514 -12.097 3.032 537 HD11 ILE 78 HD11 ILE 78 -9.006 -9.282 1.805 538 HD12 ILE 78 HD12 ILE 78 -9.798 -10.494 2.818 539 HD13 ILE 78 HD13 ILE 78 -8.997 -10.978 1.321 540 H CYS 79 HN CYS 79 -4.022 -7.545 1.873 541 HA CYS 79 HA CYS 79 -2.783 -8.492 -0.604 542 HB2 CYS 79 HB2 CYS 79 -1.929 -6.181 1.141 543 HB3 CYS 79 HB1 CYS 79 -1.456 -6.495 -0.525 544 H THR 80 HN THR 80 -1.382 -10.072 -0.432 545 HA THR 80 HA THR 80 0.220 -10.346 2.029 546 HB THR 80 HB THR 80 -0.928 -12.480 0.226 547 HG1 THR 80 HG1 THR 80 -1.943 -11.266 2.282 548 HG21 THR 80 HG21 THR 80 0.936 -12.780 2.583 549 HG22 THR 80 HG22 THR 80 1.301 -13.157 0.895 550 HG23 THR 80 HG23 THR 80 0.100 -14.104 1.774 551 H CYS 81 HN CYS 81 2.323 -9.868 1.619 552 HA CYS 81 HA CYS 81 3.286 -9.905 -1.100 553 HB2 CYS 81 HB2 CYS 81 4.925 -9.361 1.383 554 HB3 CYS 81 HB1 CYS 81 5.248 -8.835 -0.261 555 H LYS 82 HN LYS 82 5.169 -11.091 -1.779 556 HA LYS 82 HA LYS 82 4.724 -13.836 -1.061 557 HB2 LYS 82 HB2 LYS 82 6.440 -12.612 -3.203 558 HB3 LYS 82 HB1 LYS 82 6.158 -14.336 -3.012 559 HG2 LYS 82 HG2 LYS 82 4.186 -12.201 -3.726 560 HG3 LYS 82 HG1 LYS 82 4.726 -13.563 -4.712 561 HD2 LYS 82 HD2 LYS 82 3.666 -15.110 -3.153 562 HD3 LYS 82 HD1 LYS 82 3.144 -13.750 -2.152 563 HE2 LYS 82 HE2 LYS 82 1.277 -14.239 -3.442 564 HE3 LYS 82 HE1 LYS 82 2.032 -12.874 -4.275 565 HZ1 LYS 82 HZ1 LYS 82 1.432 -14.487 -5.903 566 HZ2 LYS 82 HZ2 LYS 82 2.171 -15.741 -5.036 567 HZ3 LYS 82 HZ3 LYS 82 3.119 -14.537 -5.750 568 H GLU 83 HN GLU 83 6.807 -15.227 -1.522 569 HA GLU 83 HA GLU 83 8.279 -15.412 0.753 570 HB2 GLU 83 HB2 GLU 83 9.184 -16.251 -1.997 571 HB3 GLU 83 HB1 GLU 83 9.660 -16.971 -0.465 572 HG2 GLU 83 HG2 GLU 83 7.613 -17.972 -0.151 573 HG3 GLU 83 HG1 GLU 83 6.783 -16.857 -1.226 574 HA PRO 84 HA PRO 84 12.082 -13.177 -1.106 575 HB2 PRO 84 HB2 PRO 84 11.886 -11.666 -3.313 576 HB3 PRO 84 HB1 PRO 84 12.138 -13.414 -3.404 577 HG2 PRO 84 HG2 PRO 84 9.636 -11.833 -3.790 578 HG3 PRO 84 HG1 PRO 84 10.209 -13.259 -4.673 579 HD2 PRO 84 HD2 PRO 84 8.312 -13.312 -2.669 580 HD3 PRO 84 HD1 PRO 84 9.311 -14.694 -3.145 581 H THR 85 HN THR 85 9.126 -11.947 -0.508 582 HA THR 85 HA THR 85 10.147 -9.248 0.059 583 HB THR 85 HB THR 85 8.012 -8.322 -0.492 584 HG1 THR 85 HG1 THR 85 7.033 -10.583 0.304 585 HG21 THR 85 HG21 THR 85 8.648 -10.479 -2.506 586 HG22 THR 85 HG22 THR 85 9.306 -8.839 -2.470 587 HG23 THR 85 HG23 THR 85 7.594 -9.091 -2.799 588 HA PRO 86 HA PRO 86 9.124 -11.635 3.924 589 HB2 PRO 86 HB2 PRO 86 11.320 -9.970 4.972 590 HB3 PRO 86 HB1 PRO 86 11.116 -11.721 5.050 591 HG2 PRO 86 HG2 PRO 86 12.945 -10.604 3.463 592 HG3 PRO 86 HG1 PRO 86 12.024 -12.029 2.933 593 HD2 PRO 86 HD2 PRO 86 11.626 -9.140 2.241 594 HD3 PRO 86 HD1 PRO 86 11.582 -10.569 1.190 595 H ASN 87 HN ASN 87 9.076 -8.420 3.018 596 HA ASN 87 HA ASN 87 7.691 -7.585 5.450 597 HB2 ASN 87 HB2 ASN 87 9.691 -5.914 3.947 598 HB3 ASN 87 HB1 ASN 87 8.883 -5.497 5.441 599 HD21 ASN 87 HD21 ASN 87 11.447 -7.123 3.962 600 HD22 ASN 87 HD22 ASN 87 12.273 -7.670 5.380 601 H ALA 88 HN ALA 88 6.834 -5.196 4.862 602 HA ALA 88 HA ALA 88 5.932 -5.139 2.083 603 HB1 ALA 88 HB1 ALA 88 4.184 -6.328 3.324 604 HB2 ALA 88 HB2 ALA 88 3.616 -4.767 2.731 605 HB3 ALA 88 HB3 ALA 88 4.044 -4.961 4.432 606 H TYR 89 HN TYR 89 5.538 -3.093 1.296 607 HA TYR 89 HA TYR 89 6.395 -0.835 2.871 608 HB2 TYR 89 HB2 TYR 89 4.896 -0.751 0.236 609 HB3 TYR 89 HB1 TYR 89 5.908 0.512 0.901 610 HD1 TYR 89 HD1 TYR 89 8.081 -1.916 1.569 611 HD2 TYR 89 HD2 TYR 89 6.103 -0.320 -1.832 612 HE1 TYR 89 HE1 TYR 89 9.940 -2.632 0.137 613 HE2 TYR 89 HE2 TYR 89 7.940 -1.037 -3.266 614 HH TYR 89 HH TYR 89 10.241 -1.550 -3.140 615 H TYR 90 HN TYR 90 5.110 -0.337 4.514 616 HA TYR 90 HA TYR 90 3.324 0.105 5.806 617 HB2 TYR 90 HB2 TYR 90 2.638 1.319 3.407 618 HB3 TYR 90 HB1 TYR 90 1.218 0.360 3.819 619 HD1 TYR 90 HD1 TYR 90 2.729 3.459 4.277 620 HD2 TYR 90 HD2 TYR 90 0.583 0.490 6.422 621 HE1 TYR 90 HE1 TYR 90 2.146 5.125 5.970 622 HE2 TYR 90 HE2 TYR 90 -0.027 2.154 8.127 623 HH TYR 90 HH TYR 90 0.517 5.531 7.691 624 H GLU 91 HN GLU 91 0.643 -0.854 4.131 625 HA GLU 91 HA GLU 91 0.444 -3.119 5.936 626 HB2 GLU 91 HB2 GLU 91 -1.754 -2.281 4.087 627 HB3 GLU 91 HB1 GLU 91 -1.863 -2.971 5.698 628 HG2 GLU 91 HG2 GLU 91 -0.794 -0.747 6.469 629 HG3 GLU 91 HG1 GLU 91 -1.290 -0.162 4.879 630 H GLY 92 HN GLY 92 1.658 -2.887 2.927 631 HA2 GLY 92 HA2 GLY 92 2.075 -4.931 1.639 632 HA3 GLY 92 HA1 GLY 92 0.418 -5.412 2.005 633 H VAL 93 HN VAL 93 0.468 -2.181 1.588 634 HA VAL 93 HA VAL 93 -0.932 -2.032 -0.797 635 HB VAL 93 HB VAL 93 0.853 0.136 0.367 636 HG11 VAL 93 HG11 VAL 93 -0.032 0.670 -1.802 637 HG12 VAL 93 HG12 VAL 93 -0.826 1.647 -0.567 638 HG13 VAL 93 HG13 VAL 93 -1.664 0.263 -1.267 639 HG21 VAL 93 HG21 VAL 93 -0.488 -0.726 2.171 640 HG22 VAL 93 HG22 VAL 93 -1.948 -0.636 1.184 641 HG23 VAL 93 HG23 VAL 93 -1.122 0.845 1.674 642 H PHE 94 HN PHE 94 2.458 -2.019 -0.075 643 HA PHE 94 HA PHE 94 3.047 -2.790 -2.773 644 HB2 PHE 94 HB2 PHE 94 5.179 -1.103 -2.369 645 HB3 PHE 94 HB1 PHE 94 3.841 -0.800 -3.453 646 HD1 PHE 94 HD1 PHE 94 2.428 -0.284 -0.270 647 HD2 PHE 94 HD2 PHE 94 5.262 1.414 -2.946 648 HE1 PHE 94 HE1 PHE 94 2.112 1.899 0.793 649 HE2 PHE 94 HE2 PHE 94 4.944 3.602 -1.878 650 HZ PHE 94 HZ PHE 94 3.368 3.849 -0.011 651 H CYS 95 HN CYS 95 5.214 -3.862 -2.895 652 HA CYS 95 HA CYS 95 6.478 -4.376 -0.301 653 HB2 CYS 95 HB2 CYS 95 5.966 -6.795 -1.985 654 HB3 CYS 95 HB1 CYS 95 6.176 -6.663 -0.238 655 H SER 96 HN SER 96 8.596 -5.559 -0.555 656 HA SER 96 HA SER 96 9.912 -4.708 -3.060 657 HB2 SER 96 HB2 SER 96 10.731 -3.638 -0.947 658 HB3 SER 96 HB1 SER 96 11.164 -5.234 -0.349 659 HG SER 96 HG SER 96 12.996 -4.913 -1.316 660 H SER 97 HN SER 97 10.580 -6.278 -4.384 661 HA SER 97 HA SER 97 10.851 -8.965 -3.260 662 HB2 SER 97 HB2 SER 97 10.649 -9.525 -5.834 663 HB3 SER 97 HB1 SER 97 9.234 -9.180 -4.847 664 HG SER 97 HG SER 97 10.205 -7.825 -6.979 665 H SER 98 HN SER 98 12.943 -8.397 -2.565 666 HA SER 98 HA SER 98 15.035 -9.486 -3.981 667 HB2 SER 98 HB2 SER 98 14.611 -7.377 -5.426 668 HB3 SER 98 HB1 SER 98 15.323 -6.481 -4.087 669 HG SER 98 HG SER 98 17.128 -8.098 -4.358 670 H SER 99 HN SER 99 14.908 -10.141 -1.662 671 HA SER 99 HA SER 99 16.188 -8.163 0.104 672 HB2 SER 99 HB2 SER 99 15.020 -9.418 1.984 673 HB3 SER 99 HB1 SER 99 13.971 -8.529 0.882 674 HG SER 99 HG SER 99 13.349 -10.413 -0.075 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 16.739 -3.300 -5.377 2 H2 GLY 1 HT2 GLY 1 18.092 -3.967 -4.611 3 H3 GLY 1 HT3 GLY 1 17.186 -2.767 -3.835 4 HA2 GLY 1 HA2 GLY 1 16.226 -5.493 -4.513 5 HA3 GLY 1 HA1 GLY 1 15.271 -4.246 -3.726 6 H VAL 2 HN VAL 2 14.958 -4.916 -1.700 7 HA VAL 2 HA VAL 2 16.763 -6.539 -0.241 8 HB VAL 2 HB VAL 2 17.816 -4.125 -0.277 9 HG11 VAL 2 HG11 VAL 2 15.784 -2.976 0.476 10 HG12 VAL 2 HG12 VAL 2 17.116 -2.744 1.610 11 HG13 VAL 2 HG13 VAL 2 15.824 -3.888 1.986 12 HG21 VAL 2 HG21 VAL 2 19.126 -4.842 1.415 13 HG22 VAL 2 HG22 VAL 2 18.201 -6.333 1.216 14 HG23 VAL 2 HG23 VAL 2 17.759 -5.179 2.477 15 H ASP 3 HN ASP 3 16.167 -6.271 2.258 16 HA ASP 3 HA ASP 3 13.585 -7.131 2.620 17 HB2 ASP 3 HB2 ASP 3 14.013 -6.231 5.057 18 HB3 ASP 3 HB1 ASP 3 14.931 -7.588 4.422 19 HA PRO 4 HA PRO 4 11.300 -3.450 1.462 20 HB2 PRO 4 HB2 PRO 4 9.031 -4.595 2.736 21 HB3 PRO 4 HB1 PRO 4 9.369 -4.450 1.021 22 HG2 PRO 4 HG2 PRO 4 9.710 -6.744 2.804 23 HG3 PRO 4 HG1 PRO 4 9.553 -6.707 1.046 24 HD2 PRO 4 HD2 PRO 4 11.859 -7.285 2.325 25 HD3 PRO 4 HD1 PRO 4 11.809 -6.487 0.746 26 H LYS 5 HN LYS 5 12.059 -4.397 4.672 27 HA LYS 5 HA LYS 5 10.335 -2.517 5.989 28 HB2 LYS 5 HB2 LYS 5 11.788 -2.997 7.997 29 HB3 LYS 5 HB1 LYS 5 10.914 -4.349 7.308 30 HG2 LYS 5 HG2 LYS 5 12.978 -5.282 7.672 31 HG3 LYS 5 HG1 LYS 5 13.145 -4.744 5.999 32 HD2 LYS 5 HD2 LYS 5 14.375 -2.818 6.653 33 HD3 LYS 5 HD1 LYS 5 13.990 -3.071 8.357 34 HE2 LYS 5 HE2 LYS 5 15.255 -5.230 8.224 35 HE3 LYS 5 HE1 LYS 5 15.766 -4.755 6.607 36 HZ1 LYS 5 HZ1 LYS 5 16.320 -3.246 9.103 37 HZ2 LYS 5 HZ2 LYS 5 16.813 -2.793 7.549 38 HZ3 LYS 5 HZ3 LYS 5 17.435 -4.197 8.257 39 H HIS 6 HN HIS 6 12.605 -1.569 3.986 40 HA HIS 6 HA HIS 6 14.282 0.033 5.630 41 HB2 HIS 6 HB2 HIS 6 14.556 1.325 3.332 42 HB3 HIS 6 HB1 HIS 6 15.332 -0.228 3.632 43 HD1 HIS 6 HD1 HIS 6 13.873 -2.341 2.665 44 HD2 HIS 6 HD2 HIS 6 13.084 1.418 1.126 45 HE1 HIS 6 HE1 HIS 6 12.638 -2.748 0.517 46 HE2 HIS 6 HE2 HIS 6 12.291 -0.455 -0.468 47 H VAL 7 HN VAL 7 11.229 0.311 5.741 48 HA VAL 7 HA VAL 7 9.639 1.904 5.965 49 HB VAL 7 HB VAL 7 10.187 3.590 7.577 50 HG11 VAL 7 HG11 VAL 7 9.951 1.421 8.483 51 HG12 VAL 7 HG12 VAL 7 11.393 2.096 9.244 52 HG13 VAL 7 HG13 VAL 7 11.553 0.927 7.927 53 HG21 VAL 7 HG21 VAL 7 13.092 2.931 7.070 54 HG22 VAL 7 HG22 VAL 7 12.470 4.059 8.276 55 HG23 VAL 7 HG23 VAL 7 12.278 4.409 6.558 56 H CYS 8 HN CYS 8 9.969 4.794 6.167 57 HA CYS 8 HA CYS 8 10.896 5.630 3.539 58 HB2 CYS 8 HB2 CYS 8 8.826 4.725 2.918 59 HB3 CYS 8 HB1 CYS 8 7.998 5.415 4.295 60 H VAL 9 HN VAL 9 10.424 7.754 2.996 61 HA VAL 9 HA VAL 9 9.491 9.731 4.850 62 HB VAL 9 HB VAL 9 11.714 11.024 4.417 63 HG11 VAL 9 HG11 VAL 9 10.928 10.270 6.639 64 HG12 VAL 9 HG12 VAL 9 12.683 10.221 6.482 65 HG13 VAL 9 HG13 VAL 9 11.747 8.731 6.373 66 HG21 VAL 9 HG21 VAL 9 13.693 9.495 4.340 67 HG22 VAL 9 HG22 VAL 9 12.725 9.510 2.864 68 HG23 VAL 9 HG23 VAL 9 12.579 8.168 4.001 69 H ASP 10 HN ASP 10 8.059 10.411 3.265 70 HA ASP 10 HA ASP 10 9.252 11.210 0.711 71 HB2 ASP 10 HB2 ASP 10 8.112 9.199 0.251 72 HB3 ASP 10 HB1 ASP 10 6.713 9.694 1.183 73 H THR 11 HN THR 11 8.105 12.771 -0.525 74 HA THR 11 HA THR 11 7.321 14.906 -0.716 75 HB THR 11 HB THR 11 5.362 13.127 -0.793 76 HG1 THR 11 HG1 THR 11 5.341 15.071 -1.969 77 HG21 THR 11 HG21 THR 11 4.340 14.938 1.354 78 HG22 THR 11 HG22 THR 11 5.031 13.361 1.706 79 HG23 THR 11 HG23 THR 11 3.595 13.491 0.689 80 H ARG 12 HN ARG 12 5.536 16.438 0.602 81 HA ARG 12 HA ARG 12 6.946 17.087 3.074 82 HB2 ARG 12 HB2 ARG 12 4.898 18.922 2.056 83 HB3 ARG 12 HB1 ARG 12 6.509 19.260 2.651 84 HG2 ARG 12 HG2 ARG 12 5.852 18.185 -0.081 85 HG3 ARG 12 HG1 ARG 12 6.262 19.859 0.297 86 HD2 ARG 12 HD2 ARG 12 8.038 17.443 0.644 87 HD3 ARG 12 HD1 ARG 12 8.204 18.705 -0.578 88 HE ARG 12 HE ARG 12 8.266 19.925 1.932 89 HH11 ARG 12 HH11 ARG 12 10.182 17.720 0.032 90 HH12 ARG 12 HH12 ARG 12 11.682 18.201 0.753 91 HH21 ARG 12 HH21 ARG 12 10.235 20.564 2.884 92 HH22 ARG 12 HH22 ARG 12 11.712 19.817 2.373 93 H ASP 13 HN ASP 13 3.870 16.171 1.762 94 HA ASP 13 HA ASP 13 2.898 15.455 4.380 95 HB2 ASP 13 HB2 ASP 13 2.298 17.847 4.228 96 HB3 ASP 13 HB1 ASP 13 1.390 17.513 2.756 97 H ILE 14 HN ILE 14 2.990 13.359 3.327 98 HA ILE 14 HA ILE 14 1.623 12.607 1.014 99 HB ILE 14 HB ILE 14 2.243 11.051 3.533 100 HG12 ILE 14 HG12 ILE 14 3.582 10.011 1.328 101 HG13 ILE 14 HG11 ILE 14 3.653 11.751 1.108 102 HG21 ILE 14 HG21 ILE 14 1.230 9.926 0.936 103 HG22 ILE 14 HG22 ILE 14 0.294 10.028 2.431 104 HG23 ILE 14 HG23 ILE 14 1.735 9.007 2.354 105 HD11 ILE 14 HD11 ILE 14 4.590 11.979 3.357 106 HD12 ILE 14 HD12 ILE 14 5.587 10.978 2.300 107 HD13 ILE 14 HD13 ILE 14 4.558 10.221 3.523 108 HA PRO 15 HA PRO 15 -2.650 13.211 1.760 109 HB2 PRO 15 HB2 PRO 15 -3.009 10.444 0.721 110 HB3 PRO 15 HB1 PRO 15 -3.829 11.930 0.258 111 HG2 PRO 15 HG2 PRO 15 -1.961 10.978 -1.312 112 HG3 PRO 15 HG1 PRO 15 -1.994 12.715 -0.960 113 HD2 PRO 15 HD2 PRO 15 -0.258 10.583 0.213 114 HD3 PRO 15 HD1 PRO 15 0.205 12.193 -0.333 115 H LYS 16 HN LYS 16 -4.269 12.710 3.214 116 HA LYS 16 HA LYS 16 -3.610 11.788 5.639 117 HB2 LYS 16 HB2 LYS 16 -6.303 11.321 5.494 118 HB3 LYS 16 HB1 LYS 16 -5.539 12.842 5.896 119 HG2 LYS 16 HG2 LYS 16 -5.803 13.654 3.709 120 HG3 LYS 16 HG1 LYS 16 -6.218 12.052 3.090 121 HD2 LYS 16 HD2 LYS 16 -8.297 12.071 4.299 122 HD3 LYS 16 HD1 LYS 16 -7.867 13.589 5.091 123 HE2 LYS 16 HE2 LYS 16 -8.318 13.196 2.134 124 HE3 LYS 16 HE1 LYS 16 -9.443 13.955 3.260 125 HZ1 LYS 16 HZ1 LYS 16 -6.725 14.948 2.590 126 HZ2 LYS 16 HZ2 LYS 16 -7.792 15.675 3.682 127 HZ3 LYS 16 HZ3 LYS 16 -8.183 15.607 2.038 128 H ASN 17 HN ASN 17 -5.865 9.965 3.622 129 HA ASN 17 HA ASN 17 -5.420 7.605 5.175 130 HB2 ASN 17 HB2 ASN 17 -6.975 7.982 2.607 131 HB3 ASN 17 HB1 ASN 17 -7.062 6.595 3.672 132 HD21 ASN 17 HD21 ASN 17 -7.005 10.047 4.442 133 HD22 ASN 17 HD22 ASN 17 -8.522 10.063 5.256 134 H ALA 18 HN ALA 18 -3.203 8.848 3.709 135 HA ALA 18 HA ALA 18 -2.450 6.562 2.005 136 HB1 ALA 18 HB1 ALA 18 -2.806 8.752 0.822 137 HB2 ALA 18 HB2 ALA 18 -1.231 7.996 0.580 138 HB3 ALA 18 HB3 ALA 18 -1.402 9.361 1.695 139 H GLY 19 HN GLY 19 -0.402 5.818 2.105 140 HA2 GLY 19 HA2 GLY 19 1.263 6.821 4.329 141 HA3 GLY 19 HA1 GLY 19 1.152 5.117 3.877 142 H CYS 20 HN CYS 20 3.632 6.345 3.974 143 HA CYS 20 HA CYS 20 4.219 6.648 1.104 144 HB2 CYS 20 HB2 CYS 20 5.647 8.377 1.500 145 HB3 CYS 20 HB1 CYS 20 4.552 8.626 2.848 146 H PHE 21 HN PHE 21 5.968 5.733 0.292 147 HA PHE 21 HA PHE 21 7.616 4.224 2.112 148 HB2 PHE 21 HB2 PHE 21 5.882 2.683 1.215 149 HB3 PHE 21 HB1 PHE 21 6.627 2.917 -0.373 150 HD1 PHE 21 HD1 PHE 21 8.786 2.033 -0.866 151 HD2 PHE 21 HD2 PHE 21 7.136 1.669 3.033 152 HE1 PHE 21 HE1 PHE 21 10.570 0.480 -0.246 153 HE2 PHE 21 HE2 PHE 21 8.929 0.107 3.659 154 HZ PHE 21 HZ PHE 21 10.666 -0.480 2.014 155 H ARG 22 HN ARG 22 9.672 4.129 1.636 156 HA ARG 22 HA ARG 22 10.552 5.312 -0.907 157 HB2 ARG 22 HB2 ARG 22 10.823 7.026 0.727 158 HB3 ARG 22 HB1 ARG 22 11.487 5.904 1.899 159 HG2 ARG 22 HG2 ARG 22 13.283 5.647 -0.095 160 HG3 ARG 22 HG1 ARG 22 12.779 7.321 -0.307 161 HD2 ARG 22 HD2 ARG 22 13.623 7.986 1.699 162 HD3 ARG 22 HD1 ARG 22 13.407 6.396 2.433 163 HE ARG 22 HE ARG 22 15.299 6.017 0.520 164 HH11 ARG 22 HH11 ARG 22 14.980 8.142 3.262 165 HH12 ARG 22 HH12 ARG 22 16.684 8.231 3.559 166 HH21 ARG 22 HH21 ARG 22 17.548 6.126 0.903 167 HH22 ARG 22 HH22 ARG 22 18.145 7.084 2.218 168 H ASP 23 HN ASP 23 11.650 3.810 -2.002 169 HA ASP 23 HA ASP 23 12.599 1.458 -0.707 170 HB2 ASP 23 HB2 ASP 23 13.389 0.744 -2.904 171 HB3 ASP 23 HB1 ASP 23 11.725 1.314 -2.958 172 H ASP 24 HN ASP 24 14.869 0.616 -1.238 173 HA ASP 24 HA ASP 24 16.724 2.112 0.189 174 HB2 ASP 24 HB2 ASP 24 16.879 -0.314 -0.115 175 HB3 ASP 24 HB1 ASP 24 17.260 -0.071 -1.814 176 H ASP 25 HN ASP 25 16.011 2.114 -3.228 177 HA ASP 25 HA ASP 25 18.401 3.379 -4.092 178 HB2 ASP 25 HB2 ASP 25 15.668 3.279 -5.382 179 HB3 ASP 25 HB1 ASP 25 17.140 3.830 -6.175 180 H GLY 26 HN GLY 26 16.331 4.589 -1.965 181 HA2 GLY 26 HA2 GLY 26 16.209 6.765 -1.151 182 HA3 GLY 26 HA1 GLY 26 17.047 7.322 -2.593 183 H THR 27 HN THR 27 14.914 5.609 -4.055 184 HA THR 27 HA THR 27 13.272 7.670 -4.941 185 HB THR 27 HB THR 27 12.924 4.683 -4.964 186 HG1 THR 27 HG1 THR 27 14.447 6.251 -6.346 187 HG21 THR 27 HG21 THR 27 10.693 5.602 -5.082 188 HG22 THR 27 HG22 THR 27 11.165 5.033 -6.682 189 HG23 THR 27 HG23 THR 27 11.197 6.757 -6.317 190 H GLU 28 HN GLU 28 11.161 8.296 -4.453 191 HA GLU 28 HA GLU 28 9.992 7.131 -2.023 192 HB2 GLU 28 HB2 GLU 28 10.336 10.062 -2.646 193 HB3 GLU 28 HB1 GLU 28 9.307 9.449 -1.357 194 HG2 GLU 28 HG2 GLU 28 11.103 8.679 -0.109 195 HG3 GLU 28 HG1 GLU 28 12.192 8.680 -1.492 196 H GLU 29 HN GLU 29 7.949 6.625 -2.152 197 HA GLU 29 HA GLU 29 6.149 7.964 -3.999 198 HB2 GLU 29 HB2 GLU 29 6.775 6.303 -5.496 199 HB3 GLU 29 HB1 GLU 29 7.022 5.113 -4.225 200 HG2 GLU 29 HG2 GLU 29 4.659 4.822 -3.957 201 HG3 GLU 29 HG1 GLU 29 4.320 6.142 -5.074 202 H TRP 30 HN TRP 30 4.151 8.139 -3.143 203 HA TRP 30 HA TRP 30 3.598 6.501 -0.773 204 HB2 TRP 30 HB2 TRP 30 1.992 8.222 -0.095 205 HB3 TRP 30 HB1 TRP 30 3.604 8.891 -0.299 206 HD1 TRP 30 HD TRP 30 3.800 10.971 -1.798 207 HE1 TRP 30 HE1 TRP 30 2.194 12.248 -3.360 208 HE3 TRP 30 HE3 TRP 30 -0.101 7.679 -1.797 209 HZ2 TRP 30 HZ2 TRP 30 -0.401 11.896 -4.439 210 HZ3 TRP 30 HZ3 TRP 30 -2.113 8.228 -3.114 211 HH2 TRP 30 HH TRP 30 -2.249 10.299 -4.406 212 H ARG 31 HN ARG 31 1.438 5.752 -0.457 213 HA ARG 31 HA ARG 31 -0.165 5.465 -2.888 214 HB2 ARG 31 HB2 ARG 31 0.824 3.182 -1.183 215 HB3 ARG 31 HB1 ARG 31 -0.476 3.031 -2.357 216 HG2 ARG 31 HG2 ARG 31 1.223 3.938 -4.055 217 HG3 ARG 31 HG1 ARG 31 2.426 3.550 -2.830 218 HD2 ARG 31 HD2 ARG 31 1.450 1.223 -2.775 219 HD3 ARG 31 HD1 ARG 31 0.533 1.668 -4.214 220 HE ARG 31 HE ARG 31 3.451 1.936 -4.246 221 HH11 ARG 31 HH11 ARG 31 0.563 0.334 -5.359 222 HH12 ARG 31 HH12 ARG 31 1.358 -0.461 -6.677 223 HH21 ARG 31 HH21 ARG 31 4.505 0.894 -5.977 224 HH22 ARG 31 HH22 ARG 31 3.599 -0.143 -7.027 225 H CYS 32 HN CYS 32 -2.174 3.962 -2.130 226 HA CYS 32 HA CYS 32 -3.278 5.382 0.209 227 HB2 CYS 32 HB2 CYS 32 -4.786 4.048 -2.075 228 HB3 CYS 32 HB1 CYS 32 -5.490 5.007 -0.776 229 H LEU 33 HN LEU 33 -3.694 4.212 1.930 230 HA LEU 33 HA LEU 33 -2.847 1.664 2.329 231 HB2 LEU 33 HB2 LEU 33 -5.058 3.140 3.701 232 HB3 LEU 33 HB1 LEU 33 -4.353 1.669 4.311 233 HG LEU 33 HG LEU 33 -3.622 4.105 5.115 234 HD11 LEU 33 HD11 LEU 33 -2.925 1.847 5.973 235 HD12 LEU 33 HD12 LEU 33 -1.701 3.110 6.090 236 HD13 LEU 33 HD13 LEU 33 -1.597 1.900 4.809 237 HD21 LEU 33 HD21 LEU 33 -1.831 3.519 2.789 238 HD22 LEU 33 HD22 LEU 33 -1.350 4.556 4.134 239 HD23 LEU 33 HD23 LEU 33 -2.739 4.998 3.137 240 H LEU 34 HN LEU 34 -3.785 -0.294 2.553 241 HA LEU 34 HA LEU 34 -5.354 -1.205 0.521 242 HB2 LEU 34 HB2 LEU 34 -5.059 -2.453 3.242 243 HB3 LEU 34 HB1 LEU 34 -5.465 -3.279 1.747 244 HG LEU 34 HG LEU 34 -2.847 -1.932 2.386 245 HD11 LEU 34 HD11 LEU 34 -2.040 -4.323 1.981 246 HD12 LEU 34 HD12 LEU 34 -3.727 -4.790 2.212 247 HD13 LEU 34 HD13 LEU 34 -2.851 -3.970 3.509 248 HD21 LEU 34 HD21 LEU 34 -2.228 -3.091 0.159 249 HD22 LEU 34 HD22 LEU 34 -3.091 -1.551 0.121 250 HD23 LEU 34 HD23 LEU 34 -3.967 -3.055 -0.146 251 H GLY 35 HN GLY 35 -7.381 -1.226 0.047 252 HA2 GLY 35 HA2 GLY 35 -9.681 -1.529 0.473 253 HA3 GLY 35 HA1 GLY 35 -9.402 -1.102 2.154 254 H TYR 36 HN TYR 36 -7.690 1.117 0.544 255 HA TYR 36 HA TYR 36 -9.894 3.045 0.664 256 HB2 TYR 36 HB2 TYR 36 -6.907 3.479 0.668 257 HB3 TYR 36 HB1 TYR 36 -8.114 4.754 0.732 258 HD1 TYR 36 HD1 TYR 36 -6.365 5.015 2.780 259 HD2 TYR 36 HD2 TYR 36 -9.532 2.200 2.577 260 HE1 TYR 36 HE1 TYR 36 -6.381 4.853 5.232 261 HE2 TYR 36 HE2 TYR 36 -9.562 2.031 5.019 262 HH TYR 36 HH TYR 36 -8.034 2.422 6.912 263 H LYS 37 HN LYS 37 -9.054 5.065 -0.853 264 HA LYS 37 HA LYS 37 -8.492 4.057 -3.526 265 HB2 LYS 37 HB2 LYS 37 -10.488 5.171 -4.438 266 HB3 LYS 37 HB1 LYS 37 -10.923 3.893 -3.319 267 HG2 LYS 37 HG2 LYS 37 -11.231 5.608 -1.564 268 HG3 LYS 37 HG1 LYS 37 -10.914 6.851 -2.773 269 HD2 LYS 37 HD2 LYS 37 -12.824 5.865 -4.099 270 HD3 LYS 37 HD1 LYS 37 -13.205 4.905 -2.672 271 HE2 LYS 37 HE2 LYS 37 -13.534 6.893 -1.356 272 HE3 LYS 37 HE1 LYS 37 -13.013 7.915 -2.697 273 HZ1 LYS 37 HZ1 LYS 37 -15.434 6.189 -2.670 274 HZ2 LYS 37 HZ2 LYS 37 -14.934 7.159 -3.963 275 HZ3 LYS 37 HZ3 LYS 37 -15.417 7.874 -2.507 276 H LYS 38 HN LYS 38 -8.681 6.061 -5.089 277 HA LYS 38 HA LYS 38 -7.104 8.195 -3.851 278 HB2 LYS 38 HB2 LYS 38 -6.361 6.858 -5.943 279 HB3 LYS 38 HB1 LYS 38 -7.530 7.851 -6.805 280 HG2 LYS 38 HG2 LYS 38 -5.495 8.951 -7.078 281 HG3 LYS 38 HG1 LYS 38 -6.326 9.853 -5.808 282 HD2 LYS 38 HD2 LYS 38 -4.280 9.631 -4.823 283 HD3 LYS 38 HD1 LYS 38 -5.036 8.135 -4.258 284 HE2 LYS 38 HE2 LYS 38 -3.401 8.307 -6.777 285 HE3 LYS 38 HE1 LYS 38 -2.700 7.917 -5.207 286 HZ1 LYS 38 HZ1 LYS 38 -3.217 5.921 -6.454 287 HZ2 LYS 38 HZ2 LYS 38 -4.838 6.384 -6.589 288 HZ3 LYS 38 HZ3 LYS 38 -4.189 6.009 -5.071 289 H GLY 39 HN GLY 39 -7.881 10.183 -3.601 290 HA2 GLY 39 HA2 GLY 39 -10.623 10.651 -4.499 291 HA3 GLY 39 HA1 GLY 39 -9.798 11.521 -3.221 292 H GLU 40 HN GLU 40 -9.203 13.511 -3.669 293 HA GLU 40 HA GLU 40 -9.562 14.616 -6.274 294 HB2 GLU 40 HB2 GLU 40 -8.769 16.717 -5.230 295 HB3 GLU 40 HB1 GLU 40 -10.056 15.941 -4.316 296 HG2 GLU 40 HG2 GLU 40 -8.463 15.084 -2.721 297 HG3 GLU 40 HG1 GLU 40 -7.125 15.727 -3.671 298 H GLY 41 HN GLY 41 -7.940 13.016 -7.233 299 HA2 GLY 41 HA2 GLY 41 -6.011 12.939 -8.507 300 HA3 GLY 41 HA1 GLY 41 -5.560 14.498 -7.831 301 H ASN 42 HN ASN 42 -4.091 14.594 -6.226 302 HA ASN 42 HA ASN 42 -2.744 12.107 -5.546 303 HB2 ASN 42 HB2 ASN 42 -1.054 13.681 -4.502 304 HB3 ASN 42 HB1 ASN 42 -1.273 13.850 -6.241 305 HD21 ASN 42 HD21 ASN 42 -1.730 15.307 -3.137 306 HD22 ASN 42 HD22 ASN 42 -2.184 16.873 -3.707 307 H THR 43 HN THR 43 -4.934 11.741 -4.325 308 HA THR 43 HA THR 43 -4.351 12.218 -1.512 309 HB THR 43 HB THR 43 -6.865 12.653 -1.168 310 HG1 THR 43 HG1 THR 43 -6.517 13.119 -3.932 311 HG21 THR 43 HG21 THR 43 -5.073 14.766 -2.378 312 HG22 THR 43 HG22 THR 43 -5.120 14.288 -0.680 313 HG23 THR 43 HG23 THR 43 -6.517 15.078 -1.412 314 H CYS 44 HN CYS 44 -5.295 10.752 -0.098 315 HA CYS 44 HA CYS 44 -6.584 8.447 -1.386 316 HB2 CYS 44 HB2 CYS 44 -4.653 8.414 0.941 317 HB3 CYS 44 HB1 CYS 44 -5.484 7.005 0.282 318 H VAL 45 HN VAL 45 -8.330 7.600 -0.420 319 HA VAL 45 HA VAL 45 -9.211 8.625 2.163 320 HB VAL 45 HB VAL 45 -11.482 9.085 1.213 321 HG11 VAL 45 HG11 VAL 45 -9.748 10.850 1.682 322 HG12 VAL 45 HG12 VAL 45 -10.948 11.289 0.462 323 HG13 VAL 45 HG13 VAL 45 -9.329 10.791 -0.033 324 HG21 VAL 45 HG21 VAL 45 -10.036 8.969 -1.439 325 HG22 VAL 45 HG22 VAL 45 -11.731 9.381 -1.178 326 HG23 VAL 45 HG23 VAL 45 -11.162 7.743 -0.854 327 H GLU 46 HN GLU 46 -10.945 7.437 3.094 328 HA GLU 46 HA GLU 46 -10.713 4.662 2.689 329 HB2 GLU 46 HB2 GLU 46 -12.402 6.439 4.377 330 HB3 GLU 46 HB1 GLU 46 -12.925 4.771 4.169 331 HG2 GLU 46 HG2 GLU 46 -11.009 3.919 5.194 332 HG3 GLU 46 HG1 GLU 46 -10.136 5.445 5.041 333 H ASN 47 HN ASN 47 -11.464 3.624 0.987 334 HA ASN 47 HA ASN 47 -13.630 4.622 -0.599 335 HB2 ASN 47 HB2 ASN 47 -11.917 3.581 -1.813 336 HB3 ASN 47 HB1 ASN 47 -11.844 2.206 -0.731 337 HD21 ASN 47 HD21 ASN 47 -11.884 1.038 -2.745 338 HD22 ASN 47 HD22 ASN 47 -13.405 0.640 -3.456 339 H ASN 48 HN ASN 48 -13.189 1.974 1.693 340 HA ASN 48 HA ASN 48 -14.644 0.607 2.764 341 HB2 ASN 48 HB2 ASN 48 -16.272 3.057 2.267 342 HB3 ASN 48 HB1 ASN 48 -17.083 1.621 2.889 343 HD21 ASN 48 HD21 ASN 48 -13.757 2.284 3.621 344 HD22 ASN 48 HD22 ASN 48 -13.991 2.679 5.284 345 H ASN 49 HN ASN 49 -14.598 0.921 -0.377 346 HA ASN 49 HA ASN 49 -16.433 -1.304 -0.806 347 HB2 ASN 49 HB2 ASN 49 -17.671 0.791 -1.381 348 HB3 ASN 49 HB1 ASN 49 -16.423 1.151 -2.568 349 HD21 ASN 49 HD21 ASN 49 -17.855 1.102 -4.282 350 HD22 ASN 49 HD22 ASN 49 -18.549 -0.366 -4.872 351 HA PRO 50 HA PRO 50 -12.172 -1.084 -3.036 352 HB2 PRO 50 HB2 PRO 50 -10.863 -2.910 -1.518 353 HB3 PRO 50 HB1 PRO 50 -10.769 -1.176 -1.266 354 HG2 PRO 50 HG2 PRO 50 -12.396 -3.216 0.165 355 HG3 PRO 50 HG1 PRO 50 -11.553 -1.800 0.808 356 HD2 PRO 50 HD2 PRO 50 -14.217 -1.841 0.400 357 HD3 PRO 50 HD1 PRO 50 -13.241 -0.371 0.231 358 H THR 51 HN THR 51 -11.952 -2.324 -4.720 359 HA THR 51 HA THR 51 -12.928 -5.107 -4.644 360 HB THR 51 HB THR 51 -14.320 -3.595 -6.057 361 HG1 THR 51 HG1 THR 51 -12.939 -5.364 -7.771 362 HG21 THR 51 HG21 THR 51 -13.386 -2.775 -8.184 363 HG22 THR 51 HG22 THR 51 -11.789 -3.358 -7.709 364 HG23 THR 51 HG23 THR 51 -12.561 -2.055 -6.802 365 H CYS 52 HN CYS 52 -11.630 -6.668 -5.799 366 HA CYS 52 HA CYS 52 -8.882 -5.771 -6.164 367 HB2 CYS 52 HB2 CYS 52 -9.506 -7.995 -5.063 368 HB3 CYS 52 HB1 CYS 52 -9.965 -8.550 -6.668 369 H ASP 53 HN ASP 53 -8.038 -5.328 -8.032 370 HA ASP 53 HA ASP 53 -8.133 -6.143 -10.527 371 HB2 ASP 53 HB2 ASP 53 -10.818 -5.625 -10.074 372 HB3 ASP 53 HB1 ASP 53 -10.271 -4.122 -10.794 373 H ILE 54 HN ILE 54 -9.000 -3.281 -8.658 374 HA ILE 54 HA ILE 54 -7.677 -1.355 -10.249 375 HB ILE 54 HB ILE 54 -8.190 -1.311 -7.270 376 HG12 ILE 54 HG12 ILE 54 -9.854 -0.083 -9.481 377 HG13 ILE 54 HG11 ILE 54 -10.233 -1.610 -8.699 378 HG21 ILE 54 HG21 ILE 54 -7.876 1.072 -7.407 379 HG22 ILE 54 HG22 ILE 54 -7.653 0.977 -9.155 380 HG23 ILE 54 HG23 ILE 54 -6.455 0.252 -8.073 381 HD11 ILE 54 HD11 ILE 54 -10.493 -0.478 -6.570 382 HD12 ILE 54 HD12 ILE 54 -11.544 0.234 -7.796 383 HD13 ILE 54 HD13 ILE 54 -10.058 1.058 -7.323 384 H ASN 55 HN ASN 55 -5.646 -2.282 -10.761 385 HA ASN 55 HA ASN 55 -3.376 -2.453 -10.483 386 HB2 ASN 55 HB2 ASN 55 -3.692 -0.514 -8.857 387 HB3 ASN 55 HB1 ASN 55 -3.748 -1.719 -7.588 388 HD21 ASN 55 HD21 ASN 55 -1.877 -1.042 -6.601 389 HD22 ASN 55 HD22 ASN 55 -0.321 -1.257 -7.312 390 H ASN 56 HN ASN 56 -5.326 -3.555 -7.863 391 HA ASN 56 HA ASN 56 -5.353 -6.168 -7.933 392 HB2 ASN 56 HB2 ASN 56 -3.473 -6.940 -6.439 393 HB3 ASN 56 HB1 ASN 56 -3.000 -6.510 -8.085 394 HD21 ASN 56 HD21 ASN 56 -0.971 -6.453 -6.850 395 HD22 ASN 56 HD22 ASN 56 -0.546 -4.935 -6.188 396 H GLY 57 HN GLY 57 -6.900 -4.260 -6.853 397 HA2 GLY 57 HA2 GLY 57 -8.210 -3.963 -4.984 398 HA3 GLY 57 HA1 GLY 57 -7.254 -5.203 -4.189 399 H GLY 58 HN GLY 58 -5.150 -2.910 -5.386 400 HA2 GLY 58 HA2 GLY 58 -4.457 -0.830 -4.430 401 HA3 GLY 58 HA1 GLY 58 -5.318 -1.260 -2.956 402 H CYS 59 HN CYS 59 -3.537 -3.721 -4.430 403 HA CYS 59 HA CYS 59 -1.456 -3.628 -2.361 404 HB2 CYS 59 HB2 CYS 59 -2.003 -6.037 -4.058 405 HB3 CYS 59 HB1 CYS 59 -1.365 -5.959 -2.429 406 H ASP 60 HN ASP 60 0.500 -5.066 -3.324 407 HA ASP 60 HA ASP 60 1.337 -3.641 -5.749 408 HB2 ASP 60 HB2 ASP 60 2.642 -3.774 -3.494 409 HB3 ASP 60 HB1 ASP 60 3.126 -5.362 -4.064 410 HA PRO 61 HA PRO 61 0.795 -7.068 -8.394 411 HB2 PRO 61 HB2 PRO 61 3.659 -6.721 -9.172 412 HB3 PRO 61 HB1 PRO 61 2.222 -6.817 -10.191 413 HG2 PRO 61 HG2 PRO 61 3.446 -4.490 -9.702 414 HG3 PRO 61 HG1 PRO 61 1.685 -4.603 -9.878 415 HD2 PRO 61 HD2 PRO 61 3.321 -4.209 -7.439 416 HD3 PRO 61 HD1 PRO 61 1.671 -3.686 -7.787 417 H THR 62 HN THR 62 3.505 -6.941 -6.215 418 HA THR 62 HA THR 62 4.064 -9.775 -6.429 419 HB THR 62 HB THR 62 5.793 -9.427 -4.809 420 HG1 THR 62 HG1 THR 62 4.494 -6.939 -4.310 421 HG21 THR 62 HG21 THR 62 7.052 -7.517 -5.771 422 HG22 THR 62 HG22 THR 62 5.591 -7.020 -6.627 423 HG23 THR 62 HG23 THR 62 6.351 -8.566 -7.004 424 H ALA 63 HN ALA 63 2.332 -7.536 -4.420 425 HA ALA 63 HA ALA 63 1.752 -9.396 -2.315 426 HB1 ALA 63 HB1 ALA 63 1.859 -6.953 -1.934 427 HB2 ALA 63 HB2 ALA 63 0.324 -7.655 -1.422 428 HB3 ALA 63 HB3 ALA 63 0.421 -6.758 -2.937 429 H SER 64 HN SER 64 0.683 -11.175 -3.085 430 HA SER 64 HA SER 64 -1.209 -11.370 -5.058 431 HB2 SER 64 HB2 SER 64 -0.165 -13.276 -3.801 432 HB3 SER 64 HB1 SER 64 -1.270 -12.935 -2.468 433 HG SER 64 HG SER 64 -1.826 -13.944 -5.030 434 H CYS 65 HN CYS 65 -3.058 -10.290 -5.337 435 HA CYS 65 HA CYS 65 -4.470 -9.217 -3.031 436 HB2 CYS 65 HB2 CYS 65 -4.218 -7.648 -4.815 437 HB3 CYS 65 HB1 CYS 65 -4.825 -8.809 -5.998 438 H GLN 66 HN GLN 66 -6.546 -9.636 -2.478 439 HA GLN 66 HA GLN 66 -8.087 -11.619 -3.947 440 HB2 GLN 66 HB2 GLN 66 -8.185 -12.150 -1.078 441 HB3 GLN 66 HB1 GLN 66 -8.020 -13.273 -2.419 442 HG2 GLN 66 HG2 GLN 66 -5.613 -11.737 -1.950 443 HG3 GLN 66 HG1 GLN 66 -6.107 -12.667 -0.543 444 HE21 GLN 66 HE21 GLN 66 -6.175 -14.919 -0.677 445 HE22 GLN 66 HE22 GLN 66 -5.358 -15.785 -1.929 446 H ASN 67 HN ASN 67 -10.220 -11.072 -3.945 447 HA ASN 67 HA ASN 67 -10.982 -8.740 -2.419 448 HB2 ASN 67 HB2 ASN 67 -13.271 -9.297 -3.592 449 HB3 ASN 67 HB1 ASN 67 -11.950 -8.544 -4.462 450 HD21 ASN 67 HD21 ASN 67 -10.683 -9.853 -5.867 451 HD22 ASN 67 HD22 ASN 67 -11.326 -11.308 -6.532 452 H ALA 68 HN ALA 68 -12.490 -8.585 -0.889 453 HA ALA 68 HA ALA 68 -14.000 -10.839 0.033 454 HB1 ALA 68 HB1 ALA 68 -11.540 -9.979 1.502 455 HB2 ALA 68 HB2 ALA 68 -12.011 -11.599 0.990 456 HB3 ALA 68 HB3 ALA 68 -12.871 -10.809 2.314 457 H GLU 69 HN GLU 69 -15.324 -10.323 1.917 458 HA GLU 69 HA GLU 69 -15.673 -7.432 2.289 459 HB2 GLU 69 HB2 GLU 69 -17.819 -9.556 2.271 460 HB3 GLU 69 HB1 GLU 69 -18.080 -7.845 2.573 461 HG2 GLU 69 HG2 GLU 69 -17.326 -7.322 0.317 462 HG3 GLU 69 HG1 GLU 69 -17.044 -9.035 0.010 463 H SER 70 HN SER 70 -15.383 -6.756 4.292 464 HA SER 70 HA SER 70 -16.062 -8.503 6.535 465 HB2 SER 70 HB2 SER 70 -13.648 -8.858 6.051 466 HB3 SER 70 HB1 SER 70 -13.372 -7.135 6.301 467 HG SER 70 HG SER 70 -13.045 -7.809 8.283 468 H THR 71 HN THR 71 -15.843 -7.280 8.650 469 HA THR 71 HA THR 71 -17.453 -5.007 8.611 470 HB THR 71 HB THR 71 -17.346 -6.237 10.634 471 HG1 THR 71 HG1 THR 71 -16.963 -4.584 12.080 472 HG21 THR 71 HG21 THR 71 -15.105 -7.196 10.311 473 HG22 THR 71 HG22 THR 71 -15.310 -6.540 11.936 474 HG23 THR 71 HG23 THR 71 -14.388 -5.640 10.732 475 H GLU 72 HN GLU 72 -14.022 -5.369 8.281 476 HA GLU 72 HA GLU 72 -13.658 -2.457 8.425 477 HB2 GLU 72 HB2 GLU 72 -11.445 -4.469 8.306 478 HB3 GLU 72 HB1 GLU 72 -11.370 -2.800 8.845 479 HG2 GLU 72 HG2 GLU 72 -12.903 -3.500 10.738 480 HG3 GLU 72 HG1 GLU 72 -12.561 -5.162 10.258 481 H ASN 73 HN ASN 73 -12.946 -1.312 6.726 482 HA ASN 73 HA ASN 73 -13.320 -2.280 4.110 483 HB2 ASN 73 HB2 ASN 73 -12.828 -0.113 3.432 484 HB3 ASN 73 HB1 ASN 73 -13.245 0.167 5.115 485 HD21 ASN 73 HD21 ASN 73 -10.667 -0.126 2.836 486 HD22 ASN 73 HD22 ASN 73 -9.456 0.630 3.802 487 H SER 74 HN SER 74 -10.496 -2.056 6.168 488 HA SER 74 HA SER 74 -8.658 -2.593 4.032 489 HB2 SER 74 HB2 SER 74 -7.896 -1.290 5.942 490 HB3 SER 74 HB1 SER 74 -8.266 -2.623 7.035 491 HG SER 74 HG SER 74 -6.457 -2.906 4.882 492 H LYS 75 HN LYS 75 -10.501 -4.442 6.302 493 HA LYS 75 HA LYS 75 -8.998 -6.871 5.937 494 HB2 LYS 75 HB2 LYS 75 -11.651 -6.265 7.246 495 HB3 LYS 75 HB1 LYS 75 -10.996 -7.892 7.128 496 HG2 LYS 75 HG2 LYS 75 -9.343 -5.729 8.329 497 HG3 LYS 75 HG1 LYS 75 -10.618 -6.500 9.276 498 HD2 LYS 75 HD2 LYS 75 -8.457 -8.023 7.828 499 HD3 LYS 75 HD1 LYS 75 -8.347 -7.532 9.516 500 HE2 LYS 75 HE2 LYS 75 -10.374 -8.804 10.023 501 HE3 LYS 75 HE1 LYS 75 -10.483 -9.297 8.333 502 HZ1 LYS 75 HZ1 LYS 75 -8.342 -10.417 8.573 503 HZ2 LYS 75 HZ2 LYS 75 -9.477 -11.027 9.669 504 HZ3 LYS 75 HZ3 LYS 75 -8.271 -9.966 10.203 505 H LYS 76 HN LYS 76 -10.693 -5.192 3.840 506 HA LYS 76 HA LYS 76 -12.344 -7.285 2.729 507 HB2 LYS 76 HB2 LYS 76 -11.751 -4.509 1.762 508 HB3 LYS 76 HB1 LYS 76 -12.880 -5.619 1.002 509 HG2 LYS 76 HG2 LYS 76 -14.118 -5.698 3.176 510 HG3 LYS 76 HG1 LYS 76 -13.076 -4.384 3.723 511 HD2 LYS 76 HD2 LYS 76 -13.813 -3.156 1.620 512 HD3 LYS 76 HD1 LYS 76 -15.063 -4.379 1.486 513 HE2 LYS 76 HE2 LYS 76 -15.468 -3.701 4.008 514 HE3 LYS 76 HE1 LYS 76 -14.739 -2.199 3.443 515 HZ1 LYS 76 HZ1 LYS 76 -17.175 -3.511 2.372 516 HZ2 LYS 76 HZ2 LYS 76 -16.422 -2.182 1.645 517 HZ3 LYS 76 HZ3 LYS 76 -17.088 -2.034 3.193 518 H ILE 77 HN ILE 77 -9.611 -5.311 1.625 519 HA ILE 77 HA ILE 77 -9.062 -7.259 -0.476 520 HB ILE 77 HB ILE 77 -7.698 -4.633 0.109 521 HG12 ILE 77 HG12 ILE 77 -9.956 -4.235 -0.617 522 HG13 ILE 77 HG11 ILE 77 -8.879 -3.883 -1.965 523 HG21 ILE 77 HG21 ILE 77 -6.646 -4.869 -2.068 524 HG22 ILE 77 HG22 ILE 77 -7.434 -6.429 -2.294 525 HG23 ILE 77 HG23 ILE 77 -6.226 -6.228 -1.025 526 HD11 ILE 77 HD11 ILE 77 -10.487 -6.397 -1.593 527 HD12 ILE 77 HD12 ILE 77 -9.410 -6.050 -2.946 528 HD13 ILE 77 HD13 ILE 77 -10.858 -5.070 -2.696 529 H ILE 78 HN ILE 78 -7.770 -8.866 -0.097 530 HA ILE 78 HA ILE 78 -5.954 -8.775 2.170 531 HB ILE 78 HB ILE 78 -6.614 -11.086 0.349 532 HG12 ILE 78 HG12 ILE 78 -7.888 -11.861 2.439 533 HG13 ILE 78 HG11 ILE 78 -7.776 -10.190 2.982 534 HG21 ILE 78 HG21 ILE 78 -5.583 -12.461 2.047 535 HG22 ILE 78 HG22 ILE 78 -5.253 -11.034 3.030 536 HG23 ILE 78 HG23 ILE 78 -4.443 -11.241 1.476 537 HD11 ILE 78 HD11 ILE 78 -9.135 -9.418 1.243 538 HD12 ILE 78 HD12 ILE 78 -9.906 -10.907 1.794 539 HD13 ILE 78 HD13 ILE 78 -8.939 -10.908 0.318 540 H CYS 79 HN CYS 79 -4.118 -7.762 1.684 541 HA CYS 79 HA CYS 79 -2.734 -8.417 -0.813 542 HB2 CYS 79 HB2 CYS 79 -2.088 -6.241 1.180 543 HB3 CYS 79 HB1 CYS 79 -1.438 -6.412 -0.445 544 H THR 80 HN THR 80 -1.209 -9.902 -0.713 545 HA THR 80 HA THR 80 0.311 -10.229 1.783 546 HB THR 80 HB THR 80 -1.020 -12.345 0.118 547 HG1 THR 80 HG1 THR 80 -2.197 -12.005 1.891 548 HG21 THR 80 HG21 THR 80 1.241 -13.124 0.185 549 HG22 THR 80 HG22 THR 80 0.332 -14.028 1.398 550 HG23 THR 80 HG23 THR 80 1.392 -12.709 1.894 551 H CYS 81 HN CYS 81 2.386 -9.850 1.443 552 HA CYS 81 HA CYS 81 3.471 -9.930 -1.234 553 HB2 CYS 81 HB2 CYS 81 5.090 -9.418 1.246 554 HB3 CYS 81 HB1 CYS 81 5.315 -8.768 -0.375 555 H LYS 82 HN LYS 82 5.097 -11.321 -1.948 556 HA LYS 82 HA LYS 82 4.893 -13.965 -0.958 557 HB2 LYS 82 HB2 LYS 82 6.368 -12.655 -3.185 558 HB3 LYS 82 HB1 LYS 82 6.800 -14.296 -2.726 559 HG2 LYS 82 HG2 LYS 82 5.090 -14.003 -4.592 560 HG3 LYS 82 HG1 LYS 82 4.700 -15.141 -3.303 561 HD2 LYS 82 HD2 LYS 82 3.167 -13.638 -2.311 562 HD3 LYS 82 HD1 LYS 82 3.758 -12.285 -3.275 563 HE2 LYS 82 HE2 LYS 82 1.573 -13.174 -4.027 564 HE3 LYS 82 HE1 LYS 82 2.822 -13.229 -5.271 565 HZ1 LYS 82 HZ1 LYS 82 3.151 -15.576 -4.773 566 HZ2 LYS 82 HZ2 LYS 82 1.548 -15.276 -5.217 567 HZ3 LYS 82 HZ3 LYS 82 1.942 -15.516 -3.590 568 H GLU 83 HN GLU 83 7.117 -15.253 -1.136 569 HA GLU 83 HA GLU 83 8.297 -15.064 1.360 570 HB2 GLU 83 HB2 GLU 83 9.406 -16.416 -1.087 571 HB3 GLU 83 HB1 GLU 83 9.854 -16.759 0.575 572 HG2 GLU 83 HG2 GLU 83 7.546 -17.461 1.015 573 HG3 GLU 83 HG1 GLU 83 7.156 -17.185 -0.679 574 HA PRO 84 HA PRO 84 12.233 -13.128 -0.592 575 HB2 PRO 84 HB2 PRO 84 11.986 -11.621 -2.805 576 HB3 PRO 84 HB1 PRO 84 12.264 -13.363 -2.876 577 HG2 PRO 84 HG2 PRO 84 9.733 -11.836 -3.261 578 HG3 PRO 84 HG1 PRO 84 10.323 -13.268 -4.123 579 HD2 PRO 84 HD2 PRO 84 8.453 -13.315 -2.106 580 HD3 PRO 84 HD1 PRO 84 9.467 -14.692 -2.557 581 H THR 85 HN THR 85 9.341 -11.960 0.173 582 HA THR 85 HA THR 85 10.342 -9.237 0.655 583 HB THR 85 HB THR 85 8.220 -8.341 0.258 584 HG1 THR 85 HG1 THR 85 6.662 -10.491 -0.147 585 HG21 THR 85 HG21 THR 85 7.428 -9.381 -1.890 586 HG22 THR 85 HG22 THR 85 8.609 -10.669 -1.629 587 HG23 THR 85 HG23 THR 85 9.149 -9.005 -1.847 588 HA PRO 86 HA PRO 86 9.748 -11.487 4.731 589 HB2 PRO 86 HB2 PRO 86 11.937 -9.579 5.362 590 HB3 PRO 86 HB1 PRO 86 11.791 -11.290 5.779 591 HG2 PRO 86 HG2 PRO 86 13.469 -10.508 3.887 592 HG3 PRO 86 HG1 PRO 86 12.496 -11.977 3.666 593 HD2 PRO 86 HD2 PRO 86 12.081 -9.238 2.526 594 HD3 PRO 86 HD1 PRO 86 11.912 -10.819 1.746 595 H ASN 87 HN ASN 87 9.590 -8.325 3.530 596 HA ASN 87 HA ASN 87 8.049 -7.453 5.869 597 HB2 ASN 87 HB2 ASN 87 9.820 -5.640 4.252 598 HB3 ASN 87 HB1 ASN 87 9.058 -5.300 5.790 599 HD21 ASN 87 HD21 ASN 87 11.666 -6.745 4.158 600 HD22 ASN 87 HD22 ASN 87 12.608 -7.194 5.534 601 H ALA 88 HN ALA 88 7.268 -4.989 4.868 602 HA ALA 88 HA ALA 88 6.241 -5.202 2.203 603 HB1 ALA 88 HB1 ALA 88 3.841 -5.191 2.920 604 HB2 ALA 88 HB2 ALA 88 4.396 -5.641 4.534 605 HB3 ALA 88 HB3 ALA 88 4.688 -6.719 3.169 606 H TYR 89 HN TYR 89 5.906 -3.202 1.427 607 HA TYR 89 HA TYR 89 6.382 -0.924 3.013 608 HB2 TYR 89 HB2 TYR 89 4.861 -0.904 0.396 609 HB3 TYR 89 HB1 TYR 89 5.817 0.392 1.076 610 HD1 TYR 89 HD1 TYR 89 7.816 -2.403 1.570 611 HD2 TYR 89 HD2 TYR 89 6.347 0.072 -1.554 612 HE1 TYR 89 HE1 TYR 89 9.714 -3.028 0.167 613 HE2 TYR 89 HE2 TYR 89 8.237 -0.560 -2.967 614 HH TYR 89 HH TYR 89 10.524 -1.390 -2.693 615 H TYR 90 HN TYR 90 5.121 -0.571 4.690 616 HA TYR 90 HA TYR 90 3.359 0.001 5.953 617 HB2 TYR 90 HB2 TYR 90 2.691 1.160 3.556 618 HB3 TYR 90 HB1 TYR 90 1.282 0.155 3.877 619 HD1 TYR 90 HD1 TYR 90 2.422 3.352 4.262 620 HD2 TYR 90 HD2 TYR 90 0.726 0.231 6.599 621 HE1 TYR 90 HE1 TYR 90 1.637 5.003 5.887 622 HE2 TYR 90 HE2 TYR 90 -0.077 1.883 8.233 623 HH TYR 90 HH TYR 90 0.470 4.162 8.963 624 H GLU 91 HN GLU 91 0.547 -0.911 4.657 625 HA GLU 91 HA GLU 91 0.552 -3.389 6.169 626 HB2 GLU 91 HB2 GLU 91 -1.905 -2.709 4.715 627 HB3 GLU 91 HB1 GLU 91 -1.672 -3.106 6.410 628 HG2 GLU 91 HG2 GLU 91 -0.729 -0.758 6.663 629 HG3 GLU 91 HG1 GLU 91 -1.395 -0.448 5.058 630 H GLY 92 HN GLY 92 1.594 -2.832 3.200 631 HA2 GLY 92 HA2 GLY 92 2.084 -4.891 1.912 632 HA3 GLY 92 HA1 GLY 92 0.384 -5.308 2.116 633 H VAL 93 HN VAL 93 0.221 -2.121 1.762 634 HA VAL 93 HA VAL 93 -0.954 -2.021 -0.694 635 HB VAL 93 HB VAL 93 0.770 0.209 0.441 636 HG11 VAL 93 HG11 VAL 93 -0.024 0.578 -1.819 637 HG12 VAL 93 HG12 VAL 93 -0.815 1.669 -0.681 638 HG13 VAL 93 HG13 VAL 93 -1.679 0.259 -1.298 639 HG21 VAL 93 HG21 VAL 93 -0.656 0.551 2.114 640 HG22 VAL 93 HG22 VAL 93 -1.299 -1.057 1.773 641 HG23 VAL 93 HG23 VAL 93 -2.061 0.367 1.060 642 H PHE 94 HN PHE 94 2.403 -1.987 0.125 643 HA PHE 94 HA PHE 94 3.102 -2.780 -2.525 644 HB2 PHE 94 HB2 PHE 94 5.143 -1.031 -2.242 645 HB3 PHE 94 HB1 PHE 94 3.756 -0.778 -3.262 646 HD1 PHE 94 HD1 PHE 94 2.460 -0.234 -0.043 647 HD2 PHE 94 HD2 PHE 94 5.156 1.468 -2.860 648 HE1 PHE 94 HE1 PHE 94 2.131 1.967 0.978 649 HE2 PHE 94 HE2 PHE 94 4.833 3.671 -1.832 650 HZ PHE 94 HZ PHE 94 3.314 3.928 0.083 651 H CYS 95 HN CYS 95 5.271 -3.766 -2.631 652 HA CYS 95 HA CYS 95 6.618 -4.151 -0.063 653 HB2 CYS 95 HB2 CYS 95 6.199 -6.702 -1.487 654 HB3 CYS 95 HB1 CYS 95 6.229 -6.363 0.239 655 H SER 96 HN SER 96 8.690 -5.363 -0.258 656 HA SER 96 HA SER 96 9.928 -4.880 -2.899 657 HB2 SER 96 HB2 SER 96 10.884 -3.607 -0.934 658 HB3 SER 96 HB1 SER 96 11.375 -5.151 -0.255 659 HG SER 96 HG SER 96 12.328 -5.313 -2.583 660 H SER 97 HN SER 97 10.581 -6.586 -4.039 661 HA SER 97 HA SER 97 10.869 -9.141 -2.617 662 HB2 SER 97 HB2 SER 97 9.160 -9.324 -4.260 663 HB3 SER 97 HB1 SER 97 10.165 -8.547 -5.478 664 HG SER 97 HG SER 97 11.182 -10.371 -5.825 665 H SER 98 HN SER 98 12.853 -9.556 -2.186 666 HA SER 98 HA SER 98 14.860 -10.079 -4.026 667 HB2 SER 98 HB2 SER 98 14.884 -7.278 -2.962 668 HB3 SER 98 HB1 SER 98 16.418 -8.106 -3.225 669 HG SER 98 HG SER 98 15.744 -6.931 -5.070 670 H SER 99 HN SER 99 14.365 -8.714 -0.783 671 HA SER 99 HA SER 99 16.608 -9.744 0.479 672 HB2 SER 99 HB2 SER 99 14.366 -8.325 1.275 673 HB3 SER 99 HB1 SER 99 14.263 -9.828 2.187 674 HG SER 99 HG SER 99 16.760 -8.642 2.076
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