NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595640 | 2myv | 25459 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 11 HT1 GLY 11 14.682 -9.077 8.512 2 HA2 GLY 11 HA1 GLY 11 14.138 -7.644 6.646 3 HA3 GLY 11 HA2 GLY 11 15.655 -8.498 6.370 4 H ARG 12 HN ARG 12 13.509 -7.395 4.529 5 HA ARG 12 HA ARG 12 13.303 -9.761 2.840 6 HB2 ARG 12 HB2 ARG 12 10.944 -9.402 2.392 7 HB3 ARG 12 HB1 ARG 12 11.162 -9.590 4.126 8 HG2 ARG 12 HG2 ARG 12 11.049 -7.184 4.428 9 HG3 ARG 12 HG1 ARG 12 10.879 -6.966 2.690 10 HD2 ARG 12 HD2 ARG 12 8.781 -8.329 2.812 11 HD3 ARG 12 HD1 ARG 12 8.963 -8.297 4.573 12 HE ARG 12 HE ARG 12 9.143 -5.716 3.492 13 HH11 ARG 12 HH11 ARG 12 6.735 -8.188 4.273 14 HH12 ARG 12 HH12 ARG 12 5.443 -7.092 4.433 15 HH21 ARG 12 HH21 ARG 12 7.403 -4.186 3.782 16 HH22 ARG 12 HH22 ARG 12 5.835 -4.732 4.117 17 H GLU 13 HN GLU 13 12.269 -8.839 0.591 18 HA GLU 13 HA GLU 13 13.925 -6.527 0.104 19 HB2 GLU 13 HB2 GLU 13 13.823 -7.048 -2.285 20 HB3 GLU 13 HB1 GLU 13 14.467 -8.362 -1.328 21 HG2 GLU 13 HG2 GLU 13 12.374 -9.575 -1.535 22 HG3 GLU 13 HG1 GLU 13 11.658 -8.215 -2.399 23 H ASN 14 HN ASN 14 13.143 -4.733 0.193 24 HA ASN 14 HA ASN 14 10.761 -4.034 -1.360 25 HB2 ASN 14 HB2 ASN 14 11.476 -2.823 1.359 26 HB3 ASN 14 HB1 ASN 14 10.198 -2.241 0.302 27 HD21 ASN 14 HD21 ASN 14 8.298 -3.459 0.112 28 HD22 ASN 14 HD22 ASN 14 7.886 -4.705 1.219 29 H LEU 15 HN LEU 15 13.369 -2.771 0.599 30 HA LEU 15 HA LEU 15 14.510 -1.500 -1.759 31 HB2 LEU 15 HB2 LEU 15 14.630 -0.558 1.127 32 HB3 LEU 15 HB1 LEU 15 15.555 0.133 -0.180 33 HG LEU 15 HG LEU 15 13.822 1.644 0.258 34 HD11 LEU 15 HD11 LEU 15 13.020 0.079 -2.162 35 HD12 LEU 15 HD12 LEU 15 14.234 1.354 -2.067 36 HD13 LEU 15 HD13 LEU 15 12.536 1.732 -1.784 37 HD21 LEU 15 HD21 LEU 15 12.333 0.252 1.570 38 HD22 LEU 15 HD22 LEU 15 11.840 -0.616 0.117 39 HD23 LEU 15 HD23 LEU 15 11.434 1.089 0.304 40 H TYR 16 HN TYR 16 16.911 -1.477 -1.519 41 HA TYR 16 HA TYR 16 17.585 -4.164 -0.725 42 HB2 TYR 16 HB2 TYR 16 18.227 -3.173 -2.935 43 HB3 TYR 16 HB1 TYR 16 19.347 -2.126 -2.082 44 HD1 TYR 16 HD1 TYR 16 21.391 -3.085 -1.115 45 HD2 TYR 16 HD2 TYR 16 18.693 -5.476 -3.322 46 HE1 TYR 16 HE1 TYR 16 23.143 -4.800 -1.361 47 HE2 TYR 16 HE2 TYR 16 20.420 -7.212 -3.578 48 HH TYR 16 HH TYR 16 23.334 -7.114 -1.771 49 H PHE 17 HN PHE 17 17.309 -3.763 1.457 50 HA PHE 17 HA PHE 17 19.840 -3.142 2.754 51 HB2 PHE 17 HB2 PHE 17 17.191 -2.040 3.629 52 HB3 PHE 17 HB1 PHE 17 18.527 -2.218 4.743 53 HD1 PHE 17 HD1 PHE 17 20.616 -0.939 4.361 54 HD2 PHE 17 HD2 PHE 17 17.057 -0.164 2.168 55 HE1 PHE 17 HE1 PHE 17 21.492 1.272 3.745 56 HE2 PHE 17 HE2 PHE 17 17.927 2.052 1.544 57 HZ PHE 17 HZ PHE 17 20.145 2.770 2.333 58 H GLN 18 HN GLN 18 20.144 -5.321 2.959 59 HA GLN 18 HA GLN 18 18.625 -6.529 5.102 60 HB2 GLN 18 HB2 GLN 18 19.501 -7.873 2.554 61 HB3 GLN 18 HB1 GLN 18 18.879 -8.687 3.966 62 HG2 GLN 18 HG2 GLN 18 16.738 -7.393 3.623 63 HG3 GLN 18 HG1 GLN 18 17.412 -6.848 2.087 64 HE21 GLN 18 HE21 GLN 18 15.951 -7.861 0.824 65 HE22 GLN 18 HE22 GLN 18 15.847 -9.577 0.641 66 H GLY 19 HN GLY 19 20.015 -7.328 6.581 67 HA2 GLY 19 HA2 GLY 19 22.052 -8.600 7.008 68 HA3 GLY 19 HA1 GLY 19 22.828 -7.612 5.774 69 H HIS 20 HN HIS 20 22.723 -5.216 6.161 70 HA HIS 20 HA HIS 20 22.844 -4.534 8.982 71 HB2 HIS 20 HB2 HIS 20 25.059 -3.896 6.998 72 HB3 HIS 20 HB1 HIS 20 24.979 -3.322 8.658 73 HD1 HIS 20 HD1 HIS 20 25.380 -5.208 10.572 74 HD2 HIS 20 HD2 HIS 20 26.099 -6.402 6.648 75 HE1 HIS 20 HE1 HIS 20 26.594 -7.384 10.716 76 H MET 21 HN MET 21 22.542 -2.238 9.332 77 HA MET 21 HA MET 21 21.696 -0.642 7.131 78 HB2 MET 21 HB2 MET 21 19.364 -0.308 8.016 79 HB3 MET 21 HB1 MET 21 19.658 -1.805 7.158 80 HG2 MET 21 HG2 MET 21 19.490 -1.506 10.161 81 HG3 MET 21 HG1 MET 21 18.165 -2.026 9.128 82 HE1 MET 21 HE1 MET 21 19.003 -5.426 10.885 83 HE2 MET 21 HE2 MET 21 17.721 -4.327 10.384 84 HE3 MET 21 HE3 MET 21 18.897 -3.817 11.596 85 H ALA 22 HN ALA 22 23.127 0.750 7.799 86 HA ALA 22 HA ALA 22 23.331 1.696 10.457 87 HB1 ALA 22 HB1 ALA 22 25.248 1.733 8.926 88 HB2 ALA 22 HB2 ALA 22 24.910 3.328 9.596 89 HB3 ALA 22 HB3 ALA 22 24.425 2.945 7.947 90 H TRP 23 HN TRP 23 21.453 2.422 11.141 91 HA TRP 23 HA TRP 23 20.338 4.832 9.947 92 HB2 TRP 23 HB2 TRP 23 19.308 2.953 12.094 93 HB3 TRP 23 HB1 TRP 23 18.660 4.568 11.814 94 HD1 TRP 23 HD1 TRP 23 19.529 1.878 9.340 95 HE1 TRP 23 HE1 TRP 23 17.420 1.476 7.806 96 HE3 TRP 23 HE3 TRP 23 16.379 5.048 11.643 97 HZ2 TRP 23 HZ2 TRP 23 14.690 2.533 7.721 98 HZ3 TRP 23 HZ3 TRP 23 14.095 5.299 10.825 99 HH2 TRP 23 HH2 TRP 23 13.294 4.049 8.900 100 H LYS 24 HN LYS 24 19.486 6.305 11.950 101 HA LYS 24 HA LYS 24 21.922 7.269 13.210 102 HB2 LYS 24 HB2 LYS 24 19.111 8.342 13.345 103 HB3 LYS 24 HB1 LYS 24 20.538 9.091 13.992 104 HG2 LYS 24 HG2 LYS 24 20.271 8.587 11.055 105 HG3 LYS 24 HG1 LYS 24 19.751 10.084 11.847 106 HD2 LYS 24 HD2 LYS 24 21.980 10.383 12.757 107 HD3 LYS 24 HD1 LYS 24 22.534 8.915 11.979 108 HE2 LYS 24 HE2 LYS 24 23.245 10.775 10.647 109 HE3 LYS 24 HE1 LYS 24 21.937 9.975 9.792 110 HZ1 LYS 24 HZ1 LYS 24 21.834 12.438 9.853 111 HZ2 LYS 24 HZ2 LYS 24 21.413 12.375 11.497 112 HZ3 LYS 24 HZ3 LYS 24 20.452 11.655 10.325 113 H ASP 25 HN ASP 25 21.159 8.285 15.429 114 HA ASP 25 HA ASP 25 21.277 6.011 17.121 115 HB2 ASP 25 HB2 ASP 25 21.459 8.909 17.498 116 HB3 ASP 25 HB1 ASP 25 21.452 7.929 18.962 117 H CYS 26 HN CYS 26 18.990 8.459 16.407 118 HA CYS 26 HA CYS 26 17.013 7.251 18.262 119 HB2 CYS 26 HB2 CYS 26 17.378 10.084 17.431 120 HB3 CYS 26 HB1 CYS 26 16.099 9.517 18.501 121 H ILE 27 HN ILE 27 15.008 7.023 17.501 122 HA ILE 27 HA ILE 27 14.658 7.571 14.654 123 HB ILE 27 HB ILE 27 15.010 5.178 15.173 124 HG12 ILE 27 HG12 ILE 27 12.170 5.292 14.318 125 HG13 ILE 27 HG11 ILE 27 13.321 6.136 13.298 126 HG21 ILE 27 HG21 ILE 27 13.259 3.878 16.227 127 HG22 ILE 27 HG22 ILE 27 12.439 5.389 16.653 128 HG23 ILE 27 HG23 ILE 27 14.041 5.030 17.323 129 HD11 ILE 27 HD11 ILE 27 12.908 3.813 12.574 130 HD12 ILE 27 HD12 ILE 27 13.605 3.249 14.128 131 HD13 ILE 27 HD13 ILE 27 14.573 4.155 12.987 132 H ILE 28 HN ILE 28 12.791 8.495 14.048 133 HA ILE 28 HA ILE 28 11.064 9.329 16.263 134 HB ILE 28 HB ILE 28 11.882 11.011 13.891 135 HG12 ILE 28 HG12 ILE 28 13.849 10.780 15.240 136 HG13 ILE 28 HG11 ILE 28 13.184 12.379 15.522 137 HG21 ILE 28 HG21 ILE 28 9.719 11.618 14.700 138 HG22 ILE 28 HG22 ILE 28 10.871 12.874 15.164 139 HG23 ILE 28 HG23 ILE 28 10.314 11.693 16.354 140 HD11 ILE 28 HD11 ILE 28 12.265 11.588 17.671 141 HD12 ILE 28 HD12 ILE 28 14.018 11.380 17.570 142 HD13 ILE 28 HD13 ILE 28 12.962 9.998 17.353 143 H GLN 29 HN GLN 29 9.180 8.457 15.890 144 HA GLN 29 HA GLN 29 8.363 7.921 13.157 145 HB2 GLN 29 HB2 GLN 29 7.345 7.019 15.820 146 HB3 GLN 29 HB1 GLN 29 6.433 6.735 14.351 147 HG2 GLN 29 HG2 GLN 29 8.515 5.538 13.448 148 HG3 GLN 29 HG1 GLN 29 9.186 5.752 15.043 149 HE21 GLN 29 HE21 GLN 29 6.888 5.252 16.609 150 HE22 GLN 29 HE22 GLN 29 6.523 3.586 16.453 151 H ARG 30 HN ARG 30 6.911 9.063 12.114 152 HA ARG 30 HA ARG 30 5.639 11.283 13.507 153 HB2 ARG 30 HB2 ARG 30 6.957 11.680 11.409 154 HB3 ARG 30 HB1 ARG 30 5.714 10.769 10.533 155 HG2 ARG 30 HG2 ARG 30 4.058 12.420 11.692 156 HG3 ARG 30 HG1 ARG 30 5.579 13.286 11.992 157 HD2 ARG 30 HD2 ARG 30 5.893 13.868 9.800 158 HD3 ARG 30 HD1 ARG 30 4.839 12.584 9.182 159 HE ARG 30 HE ARG 30 3.462 14.479 10.822 160 HH11 ARG 30 HH11 ARG 30 4.754 14.395 7.524 161 HH12 ARG 30 HH12 ARG 30 3.404 15.097 6.828 162 HH21 ARG 30 HH21 ARG 30 1.662 15.620 9.883 163 HH22 ARG 30 HH22 ARG 30 1.631 15.890 8.202 164 H TYR 31 HN TYR 31 3.647 10.823 14.200 165 HA TYR 31 HA TYR 31 2.079 8.846 12.806 166 HB2 TYR 31 HB2 TYR 31 1.753 10.184 15.456 167 HB3 TYR 31 HB1 TYR 31 0.509 9.156 14.754 168 HD1 TYR 31 HD2 TYR 31 4.079 9.153 15.830 169 HD2 TYR 31 HD1 TYR 31 0.560 6.862 15.182 170 HE1 TYR 31 HE2 TYR 31 5.161 7.210 16.861 171 HE2 TYR 31 HE1 TYR 31 1.630 4.910 16.222 172 HH TYR 31 HH TYR 31 4.391 5.183 18.070 173 H LYS 32 HN LYS 32 0.388 9.531 11.594 174 HA LYS 32 HA LYS 32 -0.213 12.373 11.652 175 HB2 LYS 32 HB2 LYS 32 1.107 11.174 9.743 176 HB3 LYS 32 HB1 LYS 32 -0.526 10.666 9.308 177 HG2 LYS 32 HG2 LYS 32 0.578 13.464 9.426 178 HG3 LYS 32 HG1 LYS 32 0.109 12.501 8.012 179 HD2 LYS 32 HD2 LYS 32 -2.222 12.531 8.857 180 HD3 LYS 32 HD1 LYS 32 -1.696 13.630 10.129 181 HE2 LYS 32 HE2 LYS 32 -0.849 15.140 8.306 182 HE3 LYS 32 HE1 LYS 32 -1.717 14.114 7.159 183 HZ1 LYS 32 HZ1 LYS 32 -2.734 15.969 9.162 184 HZ2 LYS 32 HZ2 LYS 32 -3.636 14.573 8.900 185 HZ3 LYS 32 HZ3 LYS 32 -3.335 15.642 7.614 186 H ASP 33 HN ASP 33 -2.198 12.548 12.329 187 HA ASP 33 HA ASP 33 -4.288 12.207 12.929 188 HB2 ASP 33 HB2 ASP 33 -4.253 10.950 10.292 189 HB3 ASP 33 HB1 ASP 33 -5.741 10.809 11.240 190 H GLY 34 HN GLY 34 -2.430 10.474 14.092 191 HA2 GLY 34 HA2 GLY 34 -2.840 9.055 15.906 192 HA3 GLY 34 HA1 GLY 34 -4.382 8.648 15.151 193 H ASP 35 HN ASP 35 -1.976 8.364 12.855 194 HA ASP 35 HA ASP 35 -1.360 5.624 13.644 195 HB2 ASP 35 HB2 ASP 35 -3.214 5.394 12.141 196 HB3 ASP 35 HB1 ASP 35 -2.436 6.460 10.957 197 H VAL 36 HN VAL 36 0.410 4.842 12.612 198 HA VAL 36 HA VAL 36 2.370 6.931 12.490 199 HB VAL 36 HB VAL 36 3.023 5.004 13.750 200 HG11 VAL 36 HG11 VAL 36 2.824 3.403 11.222 201 HG12 VAL 36 HG12 VAL 36 1.758 3.304 12.616 202 HG13 VAL 36 HG13 VAL 36 3.449 2.811 12.767 203 HG21 VAL 36 HG21 VAL 36 4.677 5.252 11.251 204 HG22 VAL 36 HG22 VAL 36 5.228 4.545 12.778 205 HG23 VAL 36 HG23 VAL 36 4.788 6.255 12.694 206 H ASN 37 HN ASN 37 2.919 7.960 10.843 207 HA ASN 37 HA ASN 37 2.009 7.106 8.213 208 HB2 ASN 37 HB2 ASN 37 1.263 9.231 9.117 209 HB3 ASN 37 HB1 ASN 37 2.957 9.710 9.242 210 HD21 ASN 37 HD21 ASN 37 1.405 7.992 6.606 211 HD22 ASN 37 HD22 ASN 37 1.646 9.224 5.425 212 H ASN 38 HN ASN 38 4.807 8.841 9.649 213 HA ASN 38 HA ASN 38 6.415 7.655 7.580 214 HB2 ASN 38 HB2 ASN 38 6.558 10.408 8.719 215 HB3 ASN 38 HB1 ASN 38 7.818 9.703 7.705 216 HD21 ASN 38 HD21 ASN 38 6.509 12.074 6.907 217 HD22 ASN 38 HD22 ASN 38 5.532 11.744 5.541 218 H ILE 39 HN ILE 39 8.623 7.474 8.079 219 HA ILE 39 HA ILE 39 9.225 7.162 10.917 220 HB ILE 39 HB ILE 39 9.862 5.354 8.580 221 HG12 ILE 39 HG12 ILE 39 9.179 3.520 10.164 222 HG13 ILE 39 HG11 ILE 39 8.692 4.761 11.301 223 HG21 ILE 39 HG21 ILE 39 11.413 4.056 9.945 224 HG22 ILE 39 HG22 ILE 39 11.357 5.298 11.193 225 HG23 ILE 39 HG23 ILE 39 11.994 5.675 9.594 226 HD11 ILE 39 HD11 ILE 39 7.503 4.290 8.571 227 HD12 ILE 39 HD12 ILE 39 6.995 5.527 9.717 228 HD13 ILE 39 HD13 ILE 39 6.796 3.821 10.117 229 H TYR 40 HN TYR 40 10.745 8.520 11.497 230 HA TYR 40 HA TYR 40 12.719 9.417 9.528 231 HB2 TYR 40 HB2 TYR 40 11.550 10.985 11.867 232 HB3 TYR 40 HB1 TYR 40 12.807 11.548 10.760 233 HD1 TYR 40 HD1 TYR 40 12.145 11.520 8.254 234 HD2 TYR 40 HD2 TYR 40 9.289 11.628 11.419 235 HE1 TYR 40 HE1 TYR 40 10.469 12.419 6.721 236 HE2 TYR 40 HE2 TYR 40 7.633 12.541 9.870 237 HH TYR 40 HH TYR 40 7.605 13.852 7.538 238 H THR 41 HN THR 41 14.762 10.172 10.784 239 HA THR 41 HA THR 41 15.130 9.010 13.334 240 HB THR 41 HB THR 41 15.453 7.014 12.250 241 HG1 THR 41 HG1 THR 41 17.067 7.402 13.717 242 HG21 THR 41 HG21 THR 41 15.598 7.720 9.941 243 HG22 THR 41 HG22 THR 41 16.898 6.618 10.312 244 HG23 THR 41 HG23 THR 41 17.237 8.353 10.181 245 H ALA 42 HN ALA 42 17.029 9.678 14.261 246 HA ALA 42 HA ALA 42 18.540 11.846 12.994 247 HB1 ALA 42 HB1 ALA 42 16.885 12.290 15.462 248 HB2 ALA 42 HB2 ALA 42 16.482 12.901 13.862 249 HB3 ALA 42 HB3 ALA 42 17.942 13.471 14.682 250 H ASN 43 HN ASN 43 20.358 12.463 14.236 251 HA ASN 43 HA ASN 43 21.417 10.471 15.983 252 HB2 ASN 43 HB2 ASN 43 22.312 13.308 15.419 253 HB3 ASN 43 HB1 ASN 43 23.101 12.299 16.611 254 HD21 ASN 43 HD21 ASN 43 22.879 13.164 13.285 255 HD22 ASN 43 HD22 ASN 43 24.038 11.995 12.745 256 H ARG 44 HN ARG 44 21.670 10.701 18.309 257 HA ARG 44 HA ARG 44 19.911 12.192 19.799 258 HB2 ARG 44 HB2 ARG 44 22.100 12.045 21.410 259 HB3 ARG 44 HB1 ARG 44 20.932 10.747 21.150 260 HG2 ARG 44 HG2 ARG 44 22.325 9.673 19.621 261 HG3 ARG 44 HG1 ARG 44 23.416 11.015 19.449 262 HD2 ARG 44 HD2 ARG 44 24.055 10.636 21.844 263 HD3 ARG 44 HD1 ARG 44 23.044 9.182 21.812 264 HE ARG 44 HE ARG 44 24.448 8.484 19.871 265 HH11 ARG 44 HH11 ARG 44 25.731 10.349 22.566 266 HH12 ARG 44 HH12 ARG 44 27.364 10.203 22.087 267 HH21 ARG 44 HH21 ARG 44 26.669 8.270 19.212 268 HH22 ARG 44 HH22 ARG 44 27.919 8.955 20.137 269 H ASN 45 HN ASN 45 19.690 14.258 19.942 270 HA ASN 45 HA ASN 45 19.970 16.434 20.228 271 HB2 ASN 45 HB2 ASN 45 22.925 16.332 20.140 272 HB3 ASN 45 HB1 ASN 45 21.850 17.449 20.998 273 HD21 ASN 45 HD21 ASN 45 20.887 16.744 22.997 274 HD22 ASN 45 HD22 ASN 45 21.648 15.473 23.886 275 H GLU 46 HN GLU 46 19.220 15.840 17.973 276 HA GLU 46 HA GLU 46 20.775 17.404 16.118 277 HB2 GLU 46 HB2 GLU 46 21.535 15.245 15.583 278 HB3 GLU 46 HB1 GLU 46 19.934 14.540 15.747 279 HG2 GLU 46 HG2 GLU 46 19.210 15.515 13.725 280 HG3 GLU 46 HG1 GLU 46 20.642 16.544 13.707 281 H GLU 47 HN GLU 47 19.566 18.574 14.670 282 HA GLU 47 HA GLU 47 16.708 18.410 15.070 283 HB2 GLU 47 HB2 GLU 47 18.122 20.470 13.378 284 HB3 GLU 47 HB1 GLU 47 16.457 20.502 13.899 285 HG2 GLU 47 HG2 GLU 47 17.487 22.102 15.186 286 HG3 GLU 47 HG1 GLU 47 17.422 20.708 16.263 287 H ILE 48 HN ILE 48 15.509 17.422 13.605 288 HA ILE 48 HA ILE 48 16.573 16.994 10.945 289 HB ILE 48 HB ILE 48 14.688 15.415 10.668 290 HG12 ILE 48 HG12 ILE 48 14.183 15.950 13.609 291 HG13 ILE 48 HG11 ILE 48 13.143 16.341 12.245 292 HG21 ILE 48 HG21 ILE 48 16.533 14.791 12.946 293 HG22 ILE 48 HG22 ILE 48 16.844 14.545 11.225 294 HG23 ILE 48 HG23 ILE 48 15.592 13.606 12.039 295 HD11 ILE 48 HD11 ILE 48 12.785 14.024 11.763 296 HD12 ILE 48 HD12 ILE 48 12.338 14.382 13.434 297 HD13 ILE 48 HD13 ILE 48 13.864 13.551 13.076 298 H THR 49 HN THR 49 14.370 16.915 9.414 299 HA THR 49 HA THR 49 12.626 19.003 10.294 300 HB THR 49 HB THR 49 13.586 18.907 7.525 301 HG1 THR 49 HG1 THR 49 14.697 19.905 9.867 302 HG21 THR 49 HG21 THR 49 12.760 21.259 7.487 303 HG22 THR 49 HG22 THR 49 12.312 21.075 9.180 304 HG23 THR 49 HG23 THR 49 11.503 20.103 7.951 305 H ILE 50 HN ILE 50 10.653 18.656 9.803 306 HA ILE 50 HA ILE 50 9.949 16.279 8.254 307 HB ILE 50 HB ILE 50 8.797 17.235 10.882 308 HG12 ILE 50 HG12 ILE 50 10.077 14.631 10.094 309 HG13 ILE 50 HG11 ILE 50 10.860 15.933 10.981 310 HG21 ILE 50 HG21 ILE 50 7.781 15.013 9.114 311 HG22 ILE 50 HG22 ILE 50 6.957 16.535 9.457 312 HG23 ILE 50 HG23 ILE 50 7.221 15.362 10.750 313 HD11 ILE 50 HD11 ILE 50 9.231 15.632 12.790 314 HD12 ILE 50 HD12 ILE 50 10.106 14.122 12.475 315 HD13 ILE 50 HD13 ILE 50 8.461 14.341 11.878 316 H GLU 51 HN GLU 51 9.091 17.360 6.459 317 HA GLU 51 HA GLU 51 7.752 18.620 5.183 318 HB2 GLU 51 HB2 GLU 51 6.006 18.093 7.564 319 HB3 GLU 51 HB1 GLU 51 5.411 19.003 6.186 320 HG2 GLU 51 HG2 GLU 51 4.752 16.692 6.070 321 HG3 GLU 51 HG1 GLU 51 5.821 17.136 4.735 322 H GLU 52 HN GLU 52 9.586 20.051 6.220 323 HA GLU 52 HA GLU 52 10.400 22.070 6.645 324 HB2 GLU 52 HB2 GLU 52 7.686 22.881 5.739 325 HB3 GLU 52 HB1 GLU 52 8.800 24.103 6.322 326 HG2 GLU 52 HG2 GLU 52 9.314 22.204 4.072 327 HG3 GLU 52 HG1 GLU 52 8.882 23.923 4.033 328 H TYR 53 HN TYR 53 8.704 20.603 8.850 329 HA TYR 53 HA TYR 53 8.907 22.838 10.746 330 HB2 TYR 53 HB2 TYR 53 7.906 20.026 11.284 331 HB3 TYR 53 HB1 TYR 53 7.627 21.470 12.237 332 HD1 TYR 53 HD1 TYR 53 6.386 23.404 10.672 333 HD2 TYR 53 HD2 TYR 53 6.059 19.191 10.233 334 HE1 TYR 53 HE1 TYR 53 4.219 23.688 9.556 335 HE2 TYR 53 HE2 TYR 53 3.901 19.458 9.116 336 HH TYR 53 HH TYR 53 2.764 22.495 8.049 337 H LYS 54 HN LYS 54 10.937 22.946 11.707 338 HA LYS 54 HA LYS 54 12.488 20.554 11.503 339 HB2 LYS 54 HB2 LYS 54 14.389 21.696 12.190 340 HB3 LYS 54 HB1 LYS 54 13.582 22.764 11.043 341 HG2 LYS 54 HG2 LYS 54 13.391 23.021 14.004 342 HG3 LYS 54 HG1 LYS 54 14.698 23.759 13.072 343 HD2 LYS 54 HD2 LYS 54 12.973 25.020 11.784 344 HD3 LYS 54 HD1 LYS 54 11.727 24.313 12.815 345 HE2 LYS 54 HE2 LYS 54 12.687 25.388 14.770 346 HE3 LYS 54 HE1 LYS 54 14.016 26.016 13.797 347 HZ1 LYS 54 HZ1 LYS 54 12.326 27.706 14.180 348 HZ2 LYS 54 HZ2 LYS 54 11.153 26.731 13.470 349 HZ3 LYS 54 HZ3 LYS 54 12.414 27.320 12.535 350 H VAL 55 HN VAL 55 13.372 19.482 13.168 351 HA VAL 55 HA VAL 55 11.908 19.731 15.717 352 HB VAL 55 HB VAL 55 12.157 17.202 14.068 353 HG11 VAL 55 HG11 VAL 55 10.818 17.630 16.727 354 HG12 VAL 55 HG12 VAL 55 12.312 16.734 16.433 355 HG13 VAL 55 HG13 VAL 55 10.788 16.150 15.765 356 HG21 VAL 55 HG21 VAL 55 9.700 17.265 13.942 357 HG22 VAL 55 HG22 VAL 55 10.437 18.667 13.166 358 HG23 VAL 55 HG23 VAL 55 9.710 18.823 14.767 359 H PHE 56 HN PHE 56 13.287 19.537 17.411 360 HA PHE 56 HA PHE 56 15.981 18.573 16.892 361 HB2 PHE 56 HB2 PHE 56 15.864 20.753 17.905 362 HB3 PHE 56 HB1 PHE 56 14.746 20.155 19.136 363 HD1 PHE 56 HD2 PHE 56 18.238 19.903 17.911 364 HD2 PHE 56 HD1 PHE 56 15.553 19.236 21.138 365 HE1 PHE 56 HE2 PHE 56 20.124 19.403 19.359 366 HE2 PHE 56 HE1 PHE 56 17.425 18.724 22.609 367 HZ PHE 56 HZ PHE 56 19.745 18.805 21.729 368 H VAL 57 HN VAL 57 16.461 16.603 17.449 369 HA VAL 57 HA VAL 57 14.777 15.191 19.360 370 HB VAL 57 HB VAL 57 16.972 14.152 17.548 371 HG11 VAL 57 HG11 VAL 57 16.695 12.791 19.562 372 HG12 VAL 57 HG12 VAL 57 16.106 11.923 18.148 373 HG13 VAL 57 HG13 VAL 57 14.966 12.677 19.265 374 HG21 VAL 57 HG21 VAL 57 15.138 13.205 16.245 375 HG22 VAL 57 HG22 VAL 57 15.041 14.970 16.316 376 HG23 VAL 57 HG23 VAL 57 13.978 13.982 17.323 377 H ASN 58 HN ASN 58 15.382 15.079 21.325 378 HA ASN 58 HA ASN 58 17.864 15.980 22.345 379 HB2 ASN 58 HB2 ASN 58 15.787 16.270 23.557 380 HB3 ASN 58 HB1 ASN 58 15.501 14.524 23.602 381 HD21 ASN 58 HD21 ASN 58 15.361 14.425 25.850 382 HD22 ASN 58 HD22 ASN 58 16.709 14.704 26.874 383 H GLU 59 HN GLU 59 19.022 14.597 23.860 384 HA GLU 59 HA GLU 59 20.473 12.589 22.540 385 HB2 GLU 59 HB2 GLU 59 21.546 12.175 24.718 386 HB3 GLU 59 HB1 GLU 59 21.527 13.870 24.254 387 HG2 GLU 59 HG2 GLU 59 19.530 14.196 25.651 388 HG3 GLU 59 HG1 GLU 59 19.654 12.528 26.186 389 H ALA 60 HN ALA 60 17.671 12.285 24.509 390 HA ALA 60 HA ALA 60 18.158 9.466 24.898 391 HB1 ALA 60 HB1 ALA 60 17.561 10.716 26.894 392 HB2 ALA 60 HB2 ALA 60 16.346 9.498 26.506 393 HB3 ALA 60 HB3 ALA 60 16.031 11.201 26.142 394 H CYS 61 HN CYS 61 17.254 11.039 22.490 395 HA CYS 61 HA CYS 61 16.049 10.648 20.624 396 HB2 CYS 61 HB2 CYS 61 15.456 8.025 21.955 397 HB3 CYS 61 HB1 CYS 61 15.280 8.394 20.238 398 H HIS 62 HN HIS 62 14.792 12.435 21.625 399 HA HIS 62 HA HIS 62 12.047 11.646 21.355 400 HB2 HIS 62 HB2 HIS 62 12.667 11.716 23.902 401 HB3 HIS 62 HB1 HIS 62 12.711 13.467 23.679 402 HD1 HIS 62 HD1 HIS 62 10.495 14.288 24.753 403 HD2 HIS 62 HD2 HIS 62 10.029 10.912 22.359 404 HE1 HIS 62 HE1 HIS 62 8.045 13.809 24.677 405 HA PRO 63 HA PRO 63 12.666 15.292 18.920 406 HB2 PRO 63 HB2 PRO 63 10.403 15.216 17.575 407 HB3 PRO 63 HB1 PRO 63 11.580 13.891 17.383 408 HG2 PRO 63 HG2 PRO 63 9.111 13.964 19.047 409 HG3 PRO 63 HG1 PRO 63 9.686 12.683 17.955 410 HD2 PRO 63 HD2 PRO 63 10.089 12.593 20.627 411 HD3 PRO 63 HD1 PRO 63 11.180 11.887 19.429 412 H TYR 64 HN TYR 64 12.293 17.404 19.198 413 HA TYR 64 HA TYR 64 9.757 18.201 20.290 414 HB2 TYR 64 HB2 TYR 64 12.419 19.274 21.139 415 HB3 TYR 64 HB1 TYR 64 10.907 20.173 21.388 416 HD1 TYR 64 HD1 TYR 64 9.084 19.145 22.660 417 HD2 TYR 64 HD2 TYR 64 12.944 17.534 22.409 418 HE1 TYR 64 HE1 TYR 64 8.581 17.738 24.651 419 HE2 TYR 64 HE2 TYR 64 12.517 16.081 24.423 420 HH TYR 64 HH TYR 64 11.049 15.987 26.282 421 HA PRO 65 HA PRO 65 8.523 19.633 20.603 422 HB2 PRO 65 HB2 PRO 65 6.282 20.414 19.324 423 HB3 PRO 65 HB1 PRO 65 7.418 21.569 20.055 424 HG2 PRO 65 HG2 PRO 65 7.080 20.795 17.250 425 HG3 PRO 65 HG1 PRO 65 7.491 22.391 17.995 426 HD2 PRO 65 HD2 PRO 65 9.274 20.677 16.746 427 HD3 PRO 65 HD1 PRO 65 9.699 21.946 17.909 428 H VAL 66 HN VAL 66 6.531 18.311 20.769 429 HA VAL 66 HA VAL 66 6.956 15.840 19.280 430 HB VAL 66 HB VAL 66 5.211 16.428 21.694 431 HG11 VAL 66 HG11 VAL 66 6.092 13.775 20.557 432 HG12 VAL 66 HG12 VAL 66 4.463 14.434 20.490 433 HG13 VAL 66 HG13 VAL 66 5.175 14.006 22.046 434 HG21 VAL 66 HG21 VAL 66 7.553 16.817 22.174 435 HG22 VAL 66 HG22 VAL 66 7.974 15.247 21.522 436 HG23 VAL 66 HG23 VAL 66 7.015 15.352 22.999 437 H ILE 67 HN ILE 67 4.617 18.385 19.607 438 HA ILE 67 HA ILE 67 2.939 16.904 17.790 439 HB ILE 67 HB ILE 67 2.152 19.119 19.682 440 HG12 ILE 67 HG12 ILE 67 2.203 16.992 20.764 441 HG13 ILE 67 HG11 ILE 67 0.525 17.495 20.410 442 HG21 ILE 67 HG21 ILE 67 -0.114 19.000 18.819 443 HG22 ILE 67 HG22 ILE 67 0.399 17.766 17.679 444 HG23 ILE 67 HG23 ILE 67 0.998 19.423 17.502 445 HD11 ILE 67 HD11 ILE 67 0.821 15.113 20.063 446 HD12 ILE 67 HD12 ILE 67 2.085 15.433 18.889 447 HD13 ILE 67 HD13 ILE 67 0.428 15.951 18.562 448 H LEU 68 HN LEU 68 2.553 17.607 15.962 449 HA LEU 68 HA LEU 68 3.994 20.001 15.015 450 HB2 LEU 68 HB2 LEU 68 2.598 17.843 13.434 451 HB3 LEU 68 HB1 LEU 68 3.425 19.199 12.713 452 HG LEU 68 HG LEU 68 4.665 16.924 14.247 453 HD11 LEU 68 HD11 LEU 68 4.938 17.923 11.435 454 HD12 LEU 68 HD12 LEU 68 4.097 16.458 11.932 455 HD13 LEU 68 HD13 LEU 68 5.856 16.590 12.131 456 HD21 LEU 68 HD21 LEU 68 5.970 19.429 13.185 457 HD22 LEU 68 HD22 LEU 68 6.824 18.019 13.812 458 HD23 LEU 68 HD23 LEU 68 5.810 18.985 14.887 459 HA PRO 69 HA PRO 69 0.444 22.626 14.519 460 HB2 PRO 69 HB2 PRO 69 0.809 22.974 11.653 461 HB3 PRO 69 HB1 PRO 69 0.938 24.202 12.936 462 HG2 PRO 69 HG2 PRO 69 3.147 23.456 11.743 463 HG3 PRO 69 HG1 PRO 69 3.100 23.582 13.524 464 HD2 PRO 69 HD2 PRO 69 2.779 21.130 11.848 465 HD3 PRO 69 HD1 PRO 69 3.922 21.347 13.176 466 H ASP 70 HN ASP 70 0.706 20.008 12.435 467 HA ASP 70 HA ASP 70 -2.033 19.966 11.560 468 HB2 ASP 70 HB2 ASP 70 -0.423 19.094 10.031 469 HB3 ASP 70 HB1 ASP 70 0.281 18.054 11.261 470 H ARG 71 HN ARG 71 -0.389 19.159 14.326 471 HA ARG 71 HA ARG 71 -0.650 17.972 16.132 472 HB2 ARG 71 HB2 ARG 71 -2.911 18.851 16.201 473 HB3 ARG 71 HB1 ARG 71 -3.475 17.543 15.180 474 HG2 ARG 71 HG2 ARG 71 -3.458 16.001 16.848 475 HG3 ARG 71 HG1 ARG 71 -2.209 16.880 17.732 476 HD2 ARG 71 HD2 ARG 71 -4.978 17.994 17.382 477 HD3 ARG 71 HD1 ARG 71 -4.598 16.897 18.705 478 HE ARG 71 HE ARG 71 -2.873 18.504 19.377 479 HH11 ARG 71 HH11 ARG 71 -5.436 19.785 17.304 480 HH12 ARG 71 HH12 ARG 71 -5.470 21.307 18.022 481 HH21 ARG 71 HH21 ARG 71 -2.881 20.598 20.361 482 HH22 ARG 71 HH22 ARG 71 -3.956 21.799 19.814 483 H SER 72 HN SER 72 0.347 17.004 13.773 484 HA SER 72 HA SER 72 0.136 14.160 13.713 485 HB2 SER 72 HB2 SER 72 2.577 15.842 13.120 486 HB3 SER 72 HB1 SER 72 2.233 14.207 12.551 487 HG SER 72 HG SER 72 0.219 15.708 11.655 488 H VAL 73 HN VAL 73 1.233 12.788 14.882 489 HA VAL 73 HA VAL 73 2.256 13.776 17.432 490 HB VAL 73 HB VAL 73 0.678 11.422 16.591 491 HG11 VAL 73 HG11 VAL 73 2.737 10.291 17.270 492 HG12 VAL 73 HG12 VAL 73 1.409 9.940 18.346 493 HG13 VAL 73 HG13 VAL 73 2.686 11.087 18.843 494 HG21 VAL 73 HG21 VAL 73 -0.257 13.202 17.911 495 HG22 VAL 73 HG22 VAL 73 0.960 12.941 19.164 496 HG23 VAL 73 HG23 VAL 73 -0.247 11.702 18.839 497 H LEU 74 HN LEU 74 4.374 13.701 17.783 498 HA LEU 74 HA LEU 74 5.894 11.877 16.115 499 HB2 LEU 74 HB2 LEU 74 6.484 14.482 17.367 500 HB3 LEU 74 HB1 LEU 74 7.744 13.263 17.437 501 HG LEU 74 HG LEU 74 8.082 13.243 15.146 502 HD11 LEU 74 HD11 LEU 74 6.634 14.291 13.526 503 HD12 LEU 74 HD12 LEU 74 5.486 14.735 14.815 504 HD13 LEU 74 HD13 LEU 74 5.784 13.041 14.429 505 HD21 LEU 74 HD21 LEU 74 7.359 16.058 15.909 506 HD22 LEU 74 HD22 LEU 74 8.378 15.587 14.552 507 HD23 LEU 74 HD23 LEU 74 8.897 15.249 16.203 508 H SER 75 HN SER 75 7.025 10.301 16.960 509 HA SER 75 HA SER 75 7.336 10.250 19.880 510 HB2 SER 75 HB2 SER 75 6.349 7.881 18.284 511 HB3 SER 75 HB1 SER 75 6.734 7.864 20.005 512 HG SER 75 HG SER 75 5.105 9.912 19.415 513 H GLY 76 HN GLY 76 9.333 9.919 20.472 514 HA2 GLY 76 HA2 GLY 76 11.161 8.919 18.409 515 HA3 GLY 76 HA1 GLY 76 11.613 10.040 19.697 516 H ASP 77 HN ASP 77 12.572 7.309 18.863 517 HA ASP 77 HA ASP 77 12.814 6.305 21.601 518 HB2 ASP 77 HB2 ASP 77 10.897 5.124 20.178 519 HB3 ASP 77 HB1 ASP 77 12.254 4.425 19.316 520 H PHE 78 HN PHE 78 14.545 4.580 21.349 521 HA PHE 78 HA PHE 78 16.694 5.770 19.784 522 HB2 PHE 78 HB2 PHE 78 16.455 3.494 21.632 523 HB3 PHE 78 HB1 PHE 78 17.939 3.642 20.687 524 HD1 PHE 78 HD2 PHE 78 15.813 5.201 23.349 525 HD2 PHE 78 HD1 PHE 78 19.640 5.200 21.445 526 HE1 PHE 78 HE2 PHE 78 16.704 6.627 25.114 527 HE2 PHE 78 HE1 PHE 78 20.519 6.628 23.223 528 HZ PHE 78 HZ PHE 78 19.056 7.348 25.064 529 H THR 79 HN THR 79 17.512 4.874 17.859 530 HA THR 79 HA THR 79 15.779 3.250 16.308 531 HB THR 79 HB THR 79 18.630 3.544 15.697 532 HG1 THR 79 HG1 THR 79 18.437 5.610 15.360 533 HG21 THR 79 HG21 THR 79 17.245 2.429 14.136 534 HG22 THR 79 HG22 THR 79 17.766 4.004 13.490 535 HG23 THR 79 HG23 THR 79 16.125 3.803 14.122 536 H SER 80 HN SER 80 18.117 2.619 18.560 537 HA SER 80 HA SER 80 19.434 0.274 17.867 538 HB2 SER 80 HB2 SER 80 19.812 1.884 19.797 539 HB3 SER 80 HB1 SER 80 18.453 1.133 20.593 540 HG SER 80 HG SER 80 20.314 -0.697 19.764 541 H ALA 81 HN ALA 81 16.321 0.846 19.467 542 HA ALA 81 HA ALA 81 15.808 -1.989 19.458 543 HB1 ALA 81 HB1 ALA 81 15.506 -0.816 21.561 544 HB2 ALA 81 HB2 ALA 81 13.947 -1.447 21.005 545 HB3 ALA 81 HB3 ALA 81 14.346 0.265 20.800 546 H TYR 82 HN TYR 82 15.656 -0.236 17.154 547 HA TYR 82 HA TYR 82 12.970 -0.907 16.341 548 HB2 TYR 82 HB2 TYR 82 14.201 1.694 16.275 549 HB3 TYR 82 HB1 TYR 82 13.365 1.268 14.777 550 HD1 TYR 82 HD1 TYR 82 12.972 1.891 18.405 551 HD2 TYR 82 HD2 TYR 82 11.014 1.091 14.727 552 HE1 TYR 82 HE1 TYR 82 10.809 2.484 19.427 553 HE2 TYR 82 HE2 TYR 82 8.851 1.679 15.733 554 HH TYR 82 HH TYR 82 8.584 3.235 18.745 555 H ALA 83 HN ALA 83 15.582 0.666 14.538 556 HA ALA 83 HA ALA 83 15.282 -1.259 12.447 557 HB1 ALA 83 HB1 ALA 83 15.743 1.111 11.905 558 HB2 ALA 83 HB2 ALA 83 16.980 0.033 11.257 559 HB3 ALA 83 HB3 ALA 83 17.310 0.971 12.709 560 H ASP 84 HN ASP 84 17.352 -0.480 15.078 561 HA ASP 84 HA ASP 84 18.753 -1.635 16.317 562 HB2 ASP 84 HB2 ASP 84 17.417 -3.549 16.196 563 HB3 ASP 84 HB1 ASP 84 17.956 -3.933 14.569 564 H ASP 85 HN ASP 85 19.324 -2.522 12.979 565 HA ASP 85 HA ASP 85 21.178 -2.776 11.728 566 HB2 ASP 85 HB2 ASP 85 21.680 -0.411 12.047 567 HB3 ASP 85 HB1 ASP 85 22.390 -0.739 13.624 568 H ASP 86 HN ASP 86 21.727 -4.773 11.904 569 HA ASP 86 HA ASP 86 22.477 -6.079 14.272 570 HB2 ASP 86 HB2 ASP 86 21.618 -7.148 12.119 571 HB3 ASP 86 HB1 ASP 86 23.251 -6.946 11.489 572 H GLU 87 HN GLU 87 24.294 -5.693 15.391 573 HA GLU 87 HA GLU 87 26.342 -4.333 13.984 574 HB2 GLU 87 HB2 GLU 87 27.448 -4.069 16.156 575 HB3 GLU 87 HB1 GLU 87 25.835 -3.360 16.040 576 HG2 GLU 87 HG2 GLU 87 24.953 -5.247 17.251 577 HG3 GLU 87 HG1 GLU 87 26.569 -5.946 17.393 578 H SER 88 HN SER 88 28.168 -4.978 13.320 579 HA SER 88 HA SER 88 28.814 -7.674 13.150 580 HB2 SER 88 HB2 SER 88 30.552 -5.228 12.753 581 HB3 SER 88 HB1 SER 88 30.837 -6.834 12.073 582 HG SER 88 HG SER 88 29.130 -6.636 10.781 583 H CYS 89 HN CYS 89 29.921 -8.940 14.426 584 HA CYS 89 HA CYS 89 31.356 -7.831 16.719 585 HB2 CYS 89 HB2 CYS 89 29.761 -10.409 16.568 586 HB3 CYS 89 HB1 CYS 89 30.623 -9.804 17.985 587 HG CYS 89 HG CYS 89 27.992 -8.157 16.531 Start of MODEL 2 1 H GLY 11 HT1 GLY 11 10.888 -0.835 -4.488 2 HA2 GLY 11 HA1 GLY 11 10.068 -0.637 -2.296 3 HA3 GLY 11 HA2 GLY 11 10.290 -2.370 -2.059 4 H ARG 12 HN ARG 12 12.228 -3.042 -1.364 5 HA ARG 12 HA ARG 12 14.351 -1.099 -1.056 6 HB2 ARG 12 HB2 ARG 12 13.783 -2.790 0.735 7 HB3 ARG 12 HB1 ARG 12 14.277 -4.062 -0.370 8 HG2 ARG 12 HG2 ARG 12 16.553 -3.250 -0.344 9 HG3 ARG 12 HG1 ARG 12 16.076 -1.887 0.666 10 HD2 ARG 12 HD2 ARG 12 15.837 -4.782 1.461 11 HD3 ARG 12 HD1 ARG 12 17.154 -3.727 1.922 12 HE ARG 12 HE ARG 12 15.160 -2.337 2.903 13 HH11 ARG 12 HH11 ARG 12 15.278 -5.847 2.881 14 HH12 ARG 12 HH12 ARG 12 14.779 -6.027 4.503 15 HH21 ARG 12 HH21 ARG 12 14.414 -2.585 5.134 16 HH22 ARG 12 HH22 ARG 12 14.310 -4.174 5.804 17 H GLU 13 HN GLU 13 15.827 -0.822 -2.580 18 HA GLU 13 HA GLU 13 15.392 -1.899 -5.144 19 HB2 GLU 13 HB2 GLU 13 17.996 -0.570 -4.605 20 HB3 GLU 13 HB1 GLU 13 16.858 -0.321 -5.905 21 HG2 GLU 13 HG2 GLU 13 16.701 1.678 -4.818 22 HG3 GLU 13 HG1 GLU 13 15.398 0.782 -4.038 23 H ASN 14 HN ASN 14 18.267 -2.062 -3.134 24 HA ASN 14 HA ASN 14 18.773 -4.776 -4.147 25 HB2 ASN 14 HB2 ASN 14 20.859 -2.634 -3.576 26 HB3 ASN 14 HB1 ASN 14 21.235 -4.307 -3.920 27 HD21 ASN 14 HD21 ASN 14 20.227 -1.267 -5.271 28 HD22 ASN 14 HD22 ASN 14 20.413 -1.720 -6.926 29 H LEU 15 HN LEU 15 19.812 -2.425 -1.703 30 HA LEU 15 HA LEU 15 18.644 -3.814 0.414 31 HB2 LEU 15 HB2 LEU 15 20.586 -4.353 1.747 32 HB3 LEU 15 HB1 LEU 15 20.653 -5.253 0.260 33 HG LEU 15 HG LEU 15 22.312 -2.785 0.829 34 HD11 LEU 15 HD11 LEU 15 24.156 -4.376 1.179 35 HD12 LEU 15 HD12 LEU 15 23.015 -5.712 1.033 36 HD13 LEU 15 HD13 LEU 15 22.877 -4.576 2.375 37 HD21 LEU 15 HD21 LEU 15 22.565 -4.908 -1.312 38 HD22 LEU 15 HD22 LEU 15 23.678 -3.565 -1.044 39 HD23 LEU 15 HD23 LEU 15 22.021 -3.248 -1.564 40 H TYR 16 HN TYR 16 19.557 -2.663 2.532 41 HA TYR 16 HA TYR 16 19.099 0.108 1.899 42 HB2 TYR 16 HB2 TYR 16 17.970 -1.022 3.831 43 HB3 TYR 16 HB1 TYR 16 19.539 -1.202 4.597 44 HD1 TYR 16 HD2 TYR 16 17.200 1.371 3.285 45 HD2 TYR 16 HD1 TYR 16 20.330 0.462 6.013 46 HE1 TYR 16 HE2 TYR 16 16.907 3.572 4.340 47 HE2 TYR 16 HE1 TYR 16 20.044 2.653 7.070 48 HH TYR 16 HH TYR 16 19.192 4.832 6.493 49 H PHE 17 HN PHE 17 20.861 0.516 0.764 50 HA PHE 17 HA PHE 17 22.871 1.352 0.246 51 HB2 PHE 17 HB2 PHE 17 23.231 1.639 3.243 52 HB3 PHE 17 HB1 PHE 17 24.357 2.285 2.063 53 HD1 PHE 17 HD2 PHE 17 23.660 4.146 0.598 54 HD2 PHE 17 HD1 PHE 17 21.188 2.718 3.753 55 HE1 PHE 17 HE2 PHE 17 22.339 6.213 0.497 56 HE2 PHE 17 HE1 PHE 17 19.858 4.782 3.656 57 HZ PHE 17 HZ PHE 17 20.433 6.534 2.025 58 H GLN 18 HN GLN 18 24.546 0.148 3.049 59 HA GLN 18 HA GLN 18 24.755 -2.481 2.024 60 HB2 GLN 18 HB2 GLN 18 27.149 -0.724 2.477 61 HB3 GLN 18 HB1 GLN 18 27.199 -2.466 2.624 62 HG2 GLN 18 HG2 GLN 18 26.349 -2.475 0.189 63 HG3 GLN 18 HG1 GLN 18 26.793 -0.768 0.184 64 HE21 GLN 18 HE21 GLN 18 27.939 -4.021 0.304 65 HE22 GLN 18 HE22 GLN 18 29.608 -3.677 0.069 66 H GLY 19 HN GLY 19 23.361 -2.687 3.776 67 HA2 GLY 19 HA2 GLY 19 24.752 -3.425 6.124 68 HA3 GLY 19 HA1 GLY 19 23.794 -1.962 6.354 69 H HIS 20 HN HIS 20 23.409 -4.563 7.473 70 HA HIS 20 HA HIS 20 21.098 -5.761 6.295 71 HB2 HIS 20 HB2 HIS 20 22.805 -6.791 7.912 72 HB3 HIS 20 HB1 HIS 20 22.054 -5.842 9.178 73 HD1 HIS 20 HD1 HIS 20 21.321 -7.898 10.494 74 HD2 HIS 20 HD2 HIS 20 19.871 -7.816 6.609 75 HE1 HIS 20 HE1 HIS 20 19.680 -9.797 10.327 76 H MET 21 HN MET 21 21.885 -3.470 8.792 77 HA MET 21 HA MET 21 19.764 -1.739 8.195 78 HB2 MET 21 HB2 MET 21 18.882 -1.496 10.493 79 HB3 MET 21 HB1 MET 21 18.492 -3.063 9.830 80 HG2 MET 21 HG2 MET 21 20.746 -2.545 11.759 81 HG3 MET 21 HG1 MET 21 19.127 -3.023 12.248 82 HE1 MET 21 HE1 MET 21 18.065 -5.431 11.689 83 HE2 MET 21 HE2 MET 21 18.892 -6.638 10.710 84 HE3 MET 21 HE3 MET 21 18.346 -5.138 9.972 85 H ALA 22 HN ALA 22 20.451 0.326 8.620 86 HA ALA 22 HA ALA 22 22.662 0.828 10.397 87 HB1 ALA 22 HB1 ALA 22 22.898 1.314 7.414 88 HB2 ALA 22 HB2 ALA 22 23.850 0.157 8.346 89 HB3 ALA 22 HB3 ALA 22 24.041 1.888 8.626 90 H TRP 23 HN TRP 23 21.276 2.166 11.478 91 HA TRP 23 HA TRP 23 20.078 4.357 9.952 92 HB2 TRP 23 HB2 TRP 23 18.979 2.751 12.265 93 HB3 TRP 23 HB1 TRP 23 18.408 4.375 11.887 94 HD1 TRP 23 HD1 TRP 23 19.110 1.521 9.541 95 HE1 TRP 23 HE1 TRP 23 16.927 1.109 8.076 96 HE3 TRP 23 HE3 TRP 23 16.072 4.864 11.781 97 HZ2 TRP 23 HZ2 TRP 23 14.258 2.185 8.018 98 HZ3 TRP 23 HZ3 TRP 23 13.779 5.102 11.010 99 HH2 TRP 23 HH2 TRP 23 12.910 3.778 9.163 100 H LYS 24 HN LYS 24 19.257 5.955 12.025 101 HA LYS 24 HA LYS 24 21.742 7.124 12.975 102 HB2 LYS 24 HB2 LYS 24 18.875 7.907 13.442 103 HB3 LYS 24 HB1 LYS 24 20.296 8.829 13.844 104 HG2 LYS 24 HG2 LYS 24 19.927 8.164 10.979 105 HG3 LYS 24 HG1 LYS 24 18.892 9.403 11.708 106 HD2 LYS 24 HD2 LYS 24 20.915 10.508 12.576 107 HD3 LYS 24 HD1 LYS 24 21.897 9.351 11.685 108 HE2 LYS 24 HE2 LYS 24 21.083 10.173 9.596 109 HE3 LYS 24 HE1 LYS 24 19.833 11.127 10.391 110 HZ1 LYS 24 HZ1 LYS 24 21.711 12.508 9.699 111 HZ2 LYS 24 HZ2 LYS 24 22.760 11.615 10.663 112 HZ3 LYS 24 HZ3 LYS 24 21.503 12.509 11.365 113 H ASP 25 HN ASP 25 21.120 8.132 15.274 114 HA ASP 25 HA ASP 25 21.254 5.880 17.025 115 HB2 ASP 25 HB2 ASP 25 21.790 8.725 17.274 116 HB3 ASP 25 HB1 ASP 25 21.569 7.879 18.807 117 H CYS 26 HN CYS 26 18.942 8.303 16.239 118 HA CYS 26 HA CYS 26 17.042 7.286 18.272 119 HB2 CYS 26 HB2 CYS 26 17.460 10.068 17.293 120 HB3 CYS 26 HB1 CYS 26 16.213 9.584 18.438 121 H ILE 27 HN ILE 27 14.989 7.000 17.571 122 HA ILE 27 HA ILE 27 14.613 7.455 14.711 123 HB ILE 27 HB ILE 27 15.006 5.098 15.362 124 HG12 ILE 27 HG12 ILE 27 12.183 5.239 14.397 125 HG13 ILE 27 HG11 ILE 27 13.460 5.906 13.382 126 HG21 ILE 27 HG21 ILE 27 13.254 3.817 16.433 127 HG22 ILE 27 HG22 ILE 27 12.404 5.327 16.788 128 HG23 ILE 27 HG23 ILE 27 13.998 5.022 17.494 129 HD11 ILE 27 HD11 ILE 27 14.578 3.845 13.312 130 HD12 ILE 27 HD12 ILE 27 12.909 3.531 12.863 131 HD13 ILE 27 HD13 ILE 27 13.514 3.127 14.499 132 H ILE 28 HN ILE 28 12.727 8.368 14.072 133 HA ILE 28 HA ILE 28 10.985 9.205 16.277 134 HB ILE 28 HB ILE 28 11.780 10.895 13.903 135 HG12 ILE 28 HG12 ILE 28 13.775 10.664 15.241 136 HG13 ILE 28 HG11 ILE 28 13.115 12.269 15.486 137 HG21 ILE 28 HG21 ILE 28 9.630 11.474 14.763 138 HG22 ILE 28 HG22 ILE 28 10.779 12.746 15.190 139 HG23 ILE 28 HG23 ILE 28 10.267 11.567 16.402 140 HD11 ILE 28 HD11 ILE 28 12.871 9.939 17.378 141 HD12 ILE 28 HD12 ILE 28 12.229 11.560 17.665 142 HD13 ILE 28 HD13 ILE 28 13.971 11.297 17.549 143 H GLN 29 HN GLN 29 9.144 8.295 15.888 144 HA GLN 29 HA GLN 29 8.326 7.787 13.154 145 HB2 GLN 29 HB2 GLN 29 7.374 6.747 15.796 146 HB3 GLN 29 HB1 GLN 29 6.498 6.439 14.307 147 HG2 GLN 29 HG2 GLN 29 8.662 5.442 13.394 148 HG3 GLN 29 HG1 GLN 29 9.330 5.642 14.999 149 HE21 GLN 29 HE21 GLN 29 6.877 4.840 16.408 150 HE22 GLN 29 HE22 GLN 29 6.760 3.146 16.135 151 H ARG 30 HN ARG 30 6.837 8.939 12.180 152 HA ARG 30 HA ARG 30 5.629 11.112 13.685 153 HB2 ARG 30 HB2 ARG 30 6.849 11.533 11.581 154 HB3 ARG 30 HB1 ARG 30 5.592 10.621 10.726 155 HG2 ARG 30 HG2 ARG 30 3.945 12.259 11.867 156 HG3 ARG 30 HG1 ARG 30 5.454 13.136 12.216 157 HD2 ARG 30 HD2 ARG 30 5.883 13.603 9.995 158 HD3 ARG 30 HD1 ARG 30 4.724 12.384 9.430 159 HE ARG 30 HE ARG 30 3.303 14.263 10.899 160 HH11 ARG 30 HH11 ARG 30 5.281 14.347 7.967 161 HH12 ARG 30 HH12 ARG 30 4.272 15.436 7.158 162 HH21 ARG 30 HH21 ARG 30 1.944 15.782 9.828 163 HH22 ARG 30 HH22 ARG 30 2.311 16.256 8.225 164 H TYR 31 HN TYR 31 3.692 10.637 14.511 165 HA TYR 31 HA TYR 31 1.948 8.779 13.141 166 HB2 TYR 31 HB2 TYR 31 2.009 9.996 15.822 167 HB3 TYR 31 HB1 TYR 31 0.517 9.233 15.237 168 HD1 TYR 31 HD1 TYR 31 4.166 8.575 15.612 169 HD2 TYR 31 HD2 TYR 31 0.221 7.043 15.866 170 HE1 TYR 31 HE1 TYR 31 5.055 6.497 16.477 171 HE2 TYR 31 HE2 TYR 31 1.060 4.945 16.731 172 HH TYR 31 HH TYR 31 4.353 4.634 17.774 173 H LYS 32 HN LYS 32 0.095 9.494 12.258 174 HA LYS 32 HA LYS 32 -0.617 12.274 12.339 175 HB2 LYS 32 HB2 LYS 32 1.398 11.820 10.761 176 HB3 LYS 32 HB1 LYS 32 0.176 10.922 9.880 177 HG2 LYS 32 HG2 LYS 32 -0.076 13.836 10.412 178 HG3 LYS 32 HG1 LYS 32 0.784 13.108 9.044 179 HD2 LYS 32 HD2 LYS 32 -1.208 11.967 8.319 180 HD3 LYS 32 HD1 LYS 32 -2.119 12.625 9.677 181 HE2 LYS 32 HE2 LYS 32 -1.789 14.880 8.801 182 HE3 LYS 32 HE1 LYS 32 -0.846 14.226 7.459 183 HZ1 LYS 32 HZ1 LYS 32 -3.186 14.661 6.874 184 HZ2 LYS 32 HZ2 LYS 32 -3.668 13.498 8.017 185 HZ3 LYS 32 HZ3 LYS 32 -2.745 13.041 6.691 186 H ASP 33 HN ASP 33 -2.783 12.179 12.167 187 HA ASP 33 HA ASP 33 -4.877 11.435 11.920 188 HB2 ASP 33 HB2 ASP 33 -3.560 10.595 9.491 189 HB3 ASP 33 HB1 ASP 33 -5.037 9.691 9.822 190 H GLY 34 HN GLY 34 -3.156 9.933 13.662 191 HA2 GLY 34 HA2 GLY 34 -3.908 8.393 15.216 192 HA3 GLY 34 HA1 GLY 34 -5.053 7.814 14.008 193 H ASP 35 HN ASP 35 -2.106 7.883 12.427 194 HA ASP 35 HA ASP 35 -1.243 5.335 13.449 195 HB2 ASP 35 HB2 ASP 35 -1.023 4.512 11.188 196 HB3 ASP 35 HB1 ASP 35 -2.713 4.591 11.676 197 H VAL 36 HN VAL 36 0.775 4.778 12.629 198 HA VAL 36 HA VAL 36 2.455 7.049 12.481 199 HB VAL 36 HB VAL 36 3.283 5.017 13.560 200 HG11 VAL 36 HG11 VAL 36 2.251 3.316 12.182 201 HG12 VAL 36 HG12 VAL 36 3.985 3.043 12.321 202 HG13 VAL 36 HG13 VAL 36 3.310 3.740 10.840 203 HG21 VAL 36 HG21 VAL 36 4.888 5.796 11.151 204 HG22 VAL 36 HG22 VAL 36 5.525 4.960 12.574 205 HG23 VAL 36 HG23 VAL 36 4.885 6.604 12.716 206 H ASN 37 HN ASN 37 2.640 8.220 10.823 207 HA ASN 37 HA ASN 37 1.695 7.394 8.212 208 HB2 ASN 37 HB2 ASN 37 0.987 9.451 9.233 209 HB3 ASN 37 HB1 ASN 37 2.648 10.002 9.254 210 HD21 ASN 37 HD21 ASN 37 -0.152 9.422 7.331 211 HD22 ASN 37 HD22 ASN 37 0.373 10.257 5.927 212 H ASN 38 HN ASN 38 4.569 8.873 9.643 213 HA ASN 38 HA ASN 38 6.133 7.885 7.423 214 HB2 ASN 38 HB2 ASN 38 6.341 10.516 8.822 215 HB3 ASN 38 HB1 ASN 38 7.581 9.877 7.757 216 HD21 ASN 38 HD21 ASN 38 6.195 12.373 7.347 217 HD22 ASN 38 HD22 ASN 38 5.273 12.239 5.895 218 H ILE 39 HN ILE 39 8.300 7.529 7.951 219 HA ILE 39 HA ILE 39 8.899 7.225 10.795 220 HB ILE 39 HB ILE 39 9.558 5.377 8.494 221 HG12 ILE 39 HG12 ILE 39 8.822 3.584 10.143 222 HG13 ILE 39 HG11 ILE 39 8.254 4.886 11.167 223 HG21 ILE 39 HG21 ILE 39 10.975 5.333 11.151 224 HG22 ILE 39 HG22 ILE 39 11.671 5.633 9.553 225 HG23 ILE 39 HG23 ILE 39 11.020 4.055 9.943 226 HD11 ILE 39 HD11 ILE 39 6.438 3.898 9.920 227 HD12 ILE 39 HD12 ILE 39 7.271 4.229 8.402 228 HD13 ILE 39 HD13 ILE 39 6.694 5.565 9.399 229 H TYR 40 HN TYR 40 10.488 8.530 11.416 230 HA TYR 40 HA TYR 40 12.477 9.371 9.437 231 HB2 TYR 40 HB2 TYR 40 11.496 10.996 11.838 232 HB3 TYR 40 HB1 TYR 40 12.700 11.472 10.659 233 HD1 TYR 40 HD2 TYR 40 9.058 11.006 11.209 234 HD2 TYR 40 HD1 TYR 40 12.086 12.348 8.519 235 HE1 TYR 40 HE2 TYR 40 7.376 12.113 9.825 236 HE2 TYR 40 HE1 TYR 40 10.374 13.456 7.149 237 HH TYR 40 HH TYR 40 8.028 13.417 6.730 238 H THR 41 HN THR 41 14.545 9.972 10.614 239 HA THR 41 HA THR 41 14.876 8.949 13.241 240 HB THR 41 HB THR 41 15.130 6.898 12.267 241 HG1 THR 41 HG1 THR 41 16.775 7.321 13.718 242 HG21 THR 41 HG21 THR 41 16.942 8.068 10.135 243 HG22 THR 41 HG22 THR 41 15.296 7.419 9.932 244 HG23 THR 41 HG23 THR 41 16.600 6.350 10.375 245 H ALA 42 HN ALA 42 16.777 9.634 14.142 246 HA ALA 42 HA ALA 42 18.372 11.655 12.749 247 HB1 ALA 42 HB1 ALA 42 17.849 13.385 14.400 248 HB2 ALA 42 HB2 ALA 42 16.708 12.294 15.178 249 HB3 ALA 42 HB3 ALA 42 16.380 12.887 13.550 250 H ASN 43 HN ASN 43 20.206 12.287 14.113 251 HA ASN 43 HA ASN 43 20.885 10.161 15.917 252 HB2 ASN 43 HB2 ASN 43 22.431 12.560 14.994 253 HB3 ASN 43 HB1 ASN 43 22.994 11.553 16.321 254 HD21 ASN 43 HD21 ASN 43 24.200 12.012 13.739 255 HD22 ASN 43 HD22 ASN 43 24.360 10.477 12.981 256 H ARG 44 HN ARG 44 21.669 10.557 18.094 257 HA ARG 44 HA ARG 44 19.946 12.042 19.686 258 HB2 ARG 44 HB2 ARG 44 21.954 11.615 21.409 259 HB3 ARG 44 HB1 ARG 44 20.875 10.331 20.835 260 HG2 ARG 44 HG2 ARG 44 22.458 9.576 19.292 261 HG3 ARG 44 HG1 ARG 44 23.543 10.905 19.572 262 HD2 ARG 44 HD2 ARG 44 23.993 10.085 21.804 263 HD3 ARG 44 HD1 ARG 44 22.756 8.830 21.615 264 HE ARG 44 HE ARG 44 24.059 7.840 19.891 265 HH11 ARG 44 HH11 ARG 44 25.887 10.107 21.949 266 HH12 ARG 44 HH12 ARG 44 27.377 9.588 21.366 267 HH21 ARG 44 HH21 ARG 44 26.049 7.173 19.137 268 HH22 ARG 44 HH22 ARG 44 27.493 7.876 19.728 269 H ASN 45 HN ASN 45 19.743 14.061 19.831 270 HA ASN 45 HA ASN 45 19.984 16.226 19.941 271 HB2 ASN 45 HB2 ASN 45 22.941 16.030 20.074 272 HB3 ASN 45 HB1 ASN 45 21.938 17.447 20.407 273 HD21 ASN 45 HD21 ASN 45 23.543 14.806 21.732 274 HD22 ASN 45 HD22 ASN 45 22.942 14.935 23.341 275 H GLU 46 HN GLU 46 19.182 15.797 17.790 276 HA GLU 46 HA GLU 46 20.796 17.181 15.907 277 HB2 GLU 46 HB2 GLU 46 21.439 14.894 15.454 278 HB3 GLU 46 HB1 GLU 46 19.762 14.372 15.481 279 HG2 GLU 46 HG2 GLU 46 19.289 15.438 13.456 280 HG3 GLU 46 HG1 GLU 46 20.780 16.374 13.585 281 H GLU 47 HN GLU 47 19.549 18.528 14.767 282 HA GLU 47 HA GLU 47 16.707 18.344 15.183 283 HB2 GLU 47 HB2 GLU 47 17.802 20.412 15.835 284 HB3 GLU 47 HB1 GLU 47 18.450 20.602 14.215 285 HG2 GLU 47 HG2 GLU 47 16.150 20.910 13.390 286 HG3 GLU 47 HG1 GLU 47 15.568 20.789 15.055 287 H ILE 48 HN ILE 48 15.537 17.492 13.678 288 HA ILE 48 HA ILE 48 16.482 17.307 10.953 289 HB ILE 48 HB ILE 48 14.582 15.774 10.617 290 HG12 ILE 48 HG12 ILE 48 14.043 16.201 13.568 291 HG13 ILE 48 HG11 ILE 48 13.037 16.680 12.204 292 HG21 ILE 48 HG21 ILE 48 16.343 14.990 12.916 293 HG22 ILE 48 HG22 ILE 48 16.693 14.798 11.190 294 HG23 ILE 48 HG23 ILE 48 15.378 13.890 11.932 295 HD11 ILE 48 HD11 ILE 48 12.171 14.697 13.313 296 HD12 ILE 48 HD12 ILE 48 13.672 13.837 12.925 297 HD13 ILE 48 HD13 ILE 48 12.610 14.398 11.631 298 H THR 49 HN THR 49 14.308 17.372 9.450 299 HA THR 49 HA THR 49 12.533 19.413 10.405 300 HB THR 49 HB THR 49 13.450 19.429 7.622 301 HG1 THR 49 HG1 THR 49 14.850 20.111 9.882 302 HG21 THR 49 HG21 THR 49 12.824 21.829 7.757 303 HG22 THR 49 HG22 THR 49 12.431 21.585 9.457 304 HG23 THR 49 HG23 THR 49 11.496 20.754 8.215 305 H ILE 50 HN ILE 50 10.539 19.025 9.854 306 HA ILE 50 HA ILE 50 9.936 16.754 8.103 307 HB ILE 50 HB ILE 50 8.614 17.503 10.721 308 HG12 ILE 50 HG12 ILE 50 10.037 14.979 9.885 309 HG13 ILE 50 HG11 ILE 50 10.737 16.274 10.851 310 HG21 ILE 50 HG21 ILE 50 7.813 15.357 8.753 311 HG22 ILE 50 HG22 ILE 50 6.911 16.828 9.110 312 HG23 ILE 50 HG23 ILE 50 7.114 15.595 10.356 313 HD11 ILE 50 HD11 ILE 50 9.062 15.858 12.575 314 HD12 ILE 50 HD12 ILE 50 10.024 14.409 12.253 315 HD13 ILE 50 HD13 ILE 50 8.380 14.548 11.611 316 H GLU 51 HN GLU 51 9.016 17.910 6.363 317 HA GLU 51 HA GLU 51 7.747 19.314 5.195 318 HB2 GLU 51 HB2 GLU 51 5.950 18.563 7.434 319 HB3 GLU 51 HB1 GLU 51 5.395 19.771 6.264 320 HG2 GLU 51 HG2 GLU 51 5.902 18.407 4.510 321 HG3 GLU 51 HG1 GLU 51 6.536 17.098 5.513 322 H GLU 52 HN GLU 52 9.643 20.460 6.618 323 HA GLU 52 HA GLU 52 10.616 22.354 6.936 324 HB2 GLU 52 HB2 GLU 52 8.080 23.682 6.020 325 HB3 GLU 52 HB1 GLU 52 9.650 24.474 6.150 326 HG2 GLU 52 HG2 GLU 52 8.857 22.292 4.255 327 HG3 GLU 52 HG1 GLU 52 9.325 23.970 3.952 328 H TYR 53 HN TYR 53 8.746 21.071 8.898 329 HA TYR 53 HA TYR 53 8.825 23.173 10.944 330 HB2 TYR 53 HB2 TYR 53 7.845 20.313 11.196 331 HB3 TYR 53 HB1 TYR 53 7.476 21.666 12.243 332 HD1 TYR 53 HD2 TYR 53 6.441 23.701 10.471 333 HD2 TYR 53 HD1 TYR 53 5.894 19.475 10.235 334 HE1 TYR 53 HE2 TYR 53 4.320 24.034 9.317 335 HE2 TYR 53 HE1 TYR 53 3.790 19.802 9.089 336 HH TYR 53 HH TYR 53 2.859 22.760 7.805 337 H LYS 54 HN LYS 54 10.887 23.220 11.822 338 HA LYS 54 HA LYS 54 12.429 20.834 11.665 339 HB2 LYS 54 HB2 LYS 54 14.270 21.982 12.596 340 HB3 LYS 54 HB1 LYS 54 13.584 22.991 11.321 341 HG2 LYS 54 HG2 LYS 54 13.065 23.355 14.234 342 HG3 LYS 54 HG1 LYS 54 14.445 24.087 13.411 343 HD2 LYS 54 HD2 LYS 54 12.859 25.245 11.887 344 HD3 LYS 54 HD1 LYS 54 11.521 24.517 12.784 345 HE2 LYS 54 HE2 LYS 54 12.176 25.701 14.789 346 HE3 LYS 54 HE1 LYS 54 13.589 26.351 13.954 347 HZ1 LYS 54 HZ1 LYS 54 11.819 27.980 14.062 348 HZ2 LYS 54 HZ2 LYS 54 10.751 26.966 13.256 349 HZ3 LYS 54 HZ3 LYS 54 12.095 27.556 12.463 350 H VAL 55 HN VAL 55 13.303 19.759 13.298 351 HA VAL 55 HA VAL 55 11.815 19.796 15.840 352 HB VAL 55 HB VAL 55 12.144 17.392 14.026 353 HG11 VAL 55 HG11 VAL 55 10.835 17.579 16.720 354 HG12 VAL 55 HG12 VAL 55 12.358 16.766 16.336 355 HG13 VAL 55 HG13 VAL 55 10.842 16.167 15.655 356 HG21 VAL 55 HG21 VAL 55 9.652 18.865 14.858 357 HG22 VAL 55 HG22 VAL 55 9.692 17.365 13.929 358 HG23 VAL 55 HG23 VAL 55 10.372 18.847 13.246 359 H PHE 56 HN PHE 56 13.307 19.722 17.435 360 HA PHE 56 HA PHE 56 15.974 18.706 16.868 361 HB2 PHE 56 HB2 PHE 56 15.898 20.865 17.954 362 HB3 PHE 56 HB1 PHE 56 14.802 20.231 19.193 363 HD1 PHE 56 HD2 PHE 56 18.203 19.673 17.775 364 HD2 PHE 56 HD1 PHE 56 15.679 19.511 21.191 365 HE1 PHE 56 HE2 PHE 56 20.119 19.039 19.146 366 HE2 PHE 56 HE1 PHE 56 17.576 18.868 22.583 367 HZ PHE 56 HZ PHE 56 19.824 18.626 21.572 368 H VAL 57 HN VAL 57 16.386 16.666 17.237 369 HA VAL 57 HA VAL 57 14.775 15.238 19.194 370 HB VAL 57 HB VAL 57 16.909 14.208 17.305 371 HG11 VAL 57 HG11 VAL 57 16.662 12.832 19.319 372 HG12 VAL 57 HG12 VAL 57 16.044 11.979 17.904 373 HG13 VAL 57 HG13 VAL 57 14.929 12.731 19.045 374 HG21 VAL 57 HG21 VAL 57 13.912 14.043 17.151 375 HG22 VAL 57 HG22 VAL 57 15.041 13.256 16.052 376 HG23 VAL 57 HG23 VAL 57 14.953 15.025 16.112 377 H ASN 58 HN ASN 58 15.447 15.185 21.169 378 HA ASN 58 HA ASN 58 18.017 16.054 21.988 379 HB2 ASN 58 HB2 ASN 58 16.028 16.430 23.337 380 HB3 ASN 58 HB1 ASN 58 15.736 14.688 23.472 381 HD21 ASN 58 HD21 ASN 58 15.851 14.546 25.658 382 HD22 ASN 58 HD22 ASN 58 17.254 14.921 26.575 383 H GLU 59 HN GLU 59 19.213 14.645 23.494 384 HA GLU 59 HA GLU 59 20.269 12.429 22.107 385 HB2 GLU 59 HB2 GLU 59 21.745 12.122 24.042 386 HB3 GLU 59 HB1 GLU 59 21.702 13.767 23.424 387 HG2 GLU 59 HG2 GLU 59 20.066 14.293 25.222 388 HG3 GLU 59 HG1 GLU 59 20.410 12.708 25.918 389 H ALA 60 HN ALA 60 17.685 12.565 24.271 390 HA ALA 60 HA ALA 60 17.920 9.799 25.019 391 HB1 ALA 60 HB1 ALA 60 15.874 10.145 26.309 392 HB2 ALA 60 HB2 ALA 60 15.741 11.781 25.659 393 HB3 ALA 60 HB3 ALA 60 17.106 11.346 26.705 394 H CYS 61 HN CYS 61 17.200 11.267 22.338 395 HA CYS 61 HA CYS 61 16.214 10.759 20.413 396 HB2 CYS 61 HB2 CYS 61 15.600 8.134 21.783 397 HB3 CYS 61 HB1 CYS 61 15.515 8.427 20.046 398 H HIS 62 HN HIS 62 14.976 12.222 22.100 399 HA HIS 62 HA HIS 62 12.203 11.597 21.398 400 HB2 HIS 62 HB2 HIS 62 12.726 11.446 23.924 401 HB3 HIS 62 HB1 HIS 62 12.848 13.203 23.877 402 HD1 HIS 62 HD1 HIS 62 10.683 14.289 24.546 403 HD2 HIS 62 HD2 HIS 62 10.105 10.621 22.700 404 HE1 HIS 62 HE1 HIS 62 8.196 13.904 24.512 405 HA PRO 63 HA PRO 63 12.813 15.377 19.187 406 HB2 PRO 63 HB2 PRO 63 10.541 15.373 17.838 407 HB3 PRO 63 HB1 PRO 63 11.747 14.100 17.559 408 HG2 PRO 63 HG2 PRO 63 9.266 13.980 19.194 409 HG3 PRO 63 HG1 PRO 63 9.908 12.802 18.028 410 HD2 PRO 63 HD2 PRO 63 10.267 12.522 20.696 411 HD3 PRO 63 HD1 PRO 63 11.399 11.939 19.476 412 H TYR 64 HN TYR 64 12.237 17.449 19.190 413 HA TYR 64 HA TYR 64 9.802 18.271 20.474 414 HB2 TYR 64 HB2 TYR 64 12.504 19.423 21.040 415 HB3 TYR 64 HB1 TYR 64 11.038 20.398 21.209 416 HD1 TYR 64 HD1 TYR 64 9.120 19.147 22.525 417 HD2 TYR 64 HD2 TYR 64 13.242 18.444 22.813 418 HE1 TYR 64 HE1 TYR 64 8.759 18.234 24.803 419 HE2 TYR 64 HE2 TYR 64 12.961 17.504 25.139 420 HH TYR 64 HH TYR 64 11.325 17.650 26.986 421 HA PRO 65 HA PRO 65 8.525 19.654 20.651 422 HB2 PRO 65 HB2 PRO 65 6.259 20.386 19.427 423 HB3 PRO 65 HB1 PRO 65 7.428 21.583 20.033 424 HG2 PRO 65 HG2 PRO 65 6.990 20.603 17.307 425 HG3 PRO 65 HG1 PRO 65 7.373 22.267 17.908 426 HD2 PRO 65 HD2 PRO 65 9.172 20.535 16.733 427 HD3 PRO 65 HD1 PRO 65 9.601 21.866 17.822 428 H VAL 66 HN VAL 66 6.723 18.189 20.976 429 HA VAL 66 HA VAL 66 7.083 15.788 19.444 430 HB VAL 66 HB VAL 66 5.289 16.376 21.818 431 HG11 VAL 66 HG11 VAL 66 6.140 13.720 20.663 432 HG12 VAL 66 HG12 VAL 66 4.516 14.400 20.595 433 HG13 VAL 66 HG13 VAL 66 5.219 13.947 22.148 434 HG21 VAL 66 HG21 VAL 66 8.023 15.124 21.658 435 HG22 VAL 66 HG22 VAL 66 7.074 15.305 23.136 436 HG23 VAL 66 HG23 VAL 66 7.659 16.727 22.264 437 H ILE 67 HN ILE 67 4.556 18.196 19.882 438 HA ILE 67 HA ILE 67 3.109 16.832 17.820 439 HB ILE 67 HB ILE 67 2.175 18.507 20.062 440 HG12 ILE 67 HG12 ILE 67 0.260 17.034 19.963 441 HG13 ILE 67 HG11 ILE 67 0.864 16.286 18.500 442 HG21 ILE 67 HG21 ILE 67 0.060 19.150 18.982 443 HG22 ILE 67 HG22 ILE 67 0.721 18.638 17.427 444 HG23 ILE 67 HG23 ILE 67 1.453 19.984 18.291 445 HD11 ILE 67 HD11 ILE 67 2.136 16.183 21.230 446 HD12 ILE 67 HD12 ILE 67 2.793 15.460 19.757 447 HD13 ILE 67 HD13 ILE 67 1.264 14.878 20.416 448 H LEU 68 HN LEU 68 2.950 17.531 15.948 449 HA LEU 68 HA LEU 68 4.308 20.020 15.215 450 HB2 LEU 68 HB2 LEU 68 3.180 17.808 13.499 451 HB3 LEU 68 HB1 LEU 68 3.992 19.217 12.867 452 HG LEU 68 HG LEU 68 5.218 17.016 14.520 453 HD11 LEU 68 HD11 LEU 68 6.551 16.676 12.508 454 HD12 LEU 68 HD12 LEU 68 5.669 17.989 11.722 455 HD13 LEU 68 HD13 LEU 68 4.821 16.510 12.170 456 HD21 LEU 68 HD21 LEU 68 6.462 19.575 13.505 457 HD22 LEU 68 HD22 LEU 68 7.339 18.225 14.223 458 HD23 LEU 68 HD23 LEU 68 6.199 19.148 15.198 459 HA PRO 69 HA PRO 69 0.694 22.426 14.485 460 HB2 PRO 69 HB2 PRO 69 1.297 22.984 11.701 461 HB3 PRO 69 HB1 PRO 69 1.277 24.115 13.076 462 HG2 PRO 69 HG2 PRO 69 3.614 23.513 12.014 463 HG3 PRO 69 HG1 PRO 69 3.396 23.524 13.789 464 HD2 PRO 69 HD2 PRO 69 3.311 21.164 11.970 465 HD3 PRO 69 HD1 PRO 69 4.335 21.355 13.399 466 H ASP 70 HN ASP 70 1.218 19.853 12.482 467 HA ASP 70 HA ASP 70 -1.358 19.809 11.196 468 HB2 ASP 70 HB2 ASP 70 0.478 18.862 9.963 469 HB3 ASP 70 HB1 ASP 70 0.898 17.803 11.300 470 H ARG 71 HN ARG 71 -0.202 19.110 14.212 471 HA ARG 71 HA ARG 71 -0.779 18.054 16.055 472 HB2 ARG 71 HB2 ARG 71 -3.143 18.649 15.370 473 HB3 ARG 71 HB1 ARG 71 -3.225 17.065 14.612 474 HG2 ARG 71 HG2 ARG 71 -4.268 16.864 16.782 475 HG3 ARG 71 HG1 ARG 71 -2.677 16.081 16.834 476 HD2 ARG 71 HD2 ARG 71 -1.760 18.225 17.770 477 HD3 ARG 71 HD1 ARG 71 -3.430 18.761 17.946 478 HE ARG 71 HE ARG 71 -2.688 16.234 19.136 479 HH11 ARG 71 HH11 ARG 71 -3.625 19.612 19.642 480 HH12 ARG 71 HH12 ARG 71 -3.550 19.533 21.338 481 HH21 ARG 71 HH21 ARG 71 -2.587 16.129 21.508 482 HH22 ARG 71 HH22 ARG 71 -2.942 17.512 22.417 483 H SER 72 HN SER 72 0.626 16.997 13.737 484 HA SER 72 HA SER 72 0.477 14.177 13.833 485 HB2 SER 72 HB2 SER 72 2.947 15.844 13.264 486 HB3 SER 72 HB1 SER 72 2.632 14.168 12.799 487 HG SER 72 HG SER 72 0.659 15.524 11.702 488 H VAL 73 HN VAL 73 1.349 12.845 15.143 489 HA VAL 73 HA VAL 73 2.365 13.705 17.735 490 HB VAL 73 HB VAL 73 0.941 11.335 16.594 491 HG11 VAL 73 HG11 VAL 73 2.500 11.144 19.192 492 HG12 VAL 73 HG12 VAL 73 2.875 10.317 17.676 493 HG13 VAL 73 HG13 VAL 73 1.385 9.934 18.511 494 HG21 VAL 73 HG21 VAL 73 0.624 12.898 19.124 495 HG22 VAL 73 HG22 VAL 73 -0.382 11.545 18.607 496 HG23 VAL 73 HG23 VAL 73 -0.349 13.031 17.648 497 H LEU 74 HN LEU 74 4.571 13.760 17.865 498 HA LEU 74 HA LEU 74 5.986 11.822 16.239 499 HB2 LEU 74 HB2 LEU 74 6.746 14.417 17.403 500 HB3 LEU 74 HB1 LEU 74 7.972 13.154 17.397 501 HG LEU 74 HG LEU 74 7.949 12.973 15.065 502 HD11 LEU 74 HD11 LEU 74 6.457 14.294 13.637 503 HD12 LEU 74 HD12 LEU 74 5.565 14.804 15.098 504 HD13 LEU 74 HD13 LEU 74 5.611 13.110 14.631 505 HD21 LEU 74 HD21 LEU 74 9.221 14.821 15.967 506 HD22 LEU 74 HD22 LEU 74 7.815 15.881 15.841 507 HD23 LEU 74 HD23 LEU 74 8.571 15.231 14.383 508 H SER 75 HN SER 75 6.711 10.100 16.920 509 HA SER 75 HA SER 75 6.971 9.804 19.850 510 HB2 SER 75 HB2 SER 75 6.335 7.663 17.804 511 HB3 SER 75 HB1 SER 75 6.347 7.473 19.564 512 HG SER 75 HG SER 75 4.846 9.534 18.553 513 H GLY 76 HN GLY 76 9.012 9.572 20.512 514 HA2 GLY 76 HA2 GLY 76 10.964 8.747 18.473 515 HA3 GLY 76 HA1 GLY 76 11.279 9.989 19.682 516 H ASP 77 HN ASP 77 12.357 7.177 18.948 517 HA ASP 77 HA ASP 77 12.821 6.437 21.729 518 HB2 ASP 77 HB2 ASP 77 11.998 4.453 19.571 519 HB3 ASP 77 HB1 ASP 77 12.628 4.019 21.147 520 H PHE 78 HN PHE 78 14.716 4.922 21.703 521 HA PHE 78 HA PHE 78 16.781 5.971 19.999 522 HB2 PHE 78 HB2 PHE 78 16.595 3.671 21.853 523 HB3 PHE 78 HB1 PHE 78 18.111 4.008 21.013 524 HD1 PHE 78 HD2 PHE 78 15.676 5.287 23.561 525 HD2 PHE 78 HD1 PHE 78 19.607 5.637 21.930 526 HE1 PHE 78 HE2 PHE 78 16.329 6.736 25.420 527 HE2 PHE 78 HE1 PHE 78 20.249 7.079 23.797 528 HZ PHE 78 HZ PHE 78 18.612 7.637 25.543 529 H THR 79 HN THR 79 17.647 4.945 18.081 530 HA THR 79 HA THR 79 15.876 3.165 16.701 531 HB THR 79 HB THR 79 18.665 3.503 15.871 532 HG1 THR 79 HG1 THR 79 18.392 5.512 15.372 533 HG21 THR 79 HG21 THR 79 17.575 3.713 13.679 534 HG22 THR 79 HG22 THR 79 16.024 3.493 14.505 535 HG23 THR 79 HG23 THR 79 17.222 2.194 14.520 536 H SER 80 HN SER 80 18.506 2.750 18.960 537 HA SER 80 HA SER 80 19.764 0.503 18.373 538 HB2 SER 80 HB2 SER 80 18.848 1.296 21.096 539 HB3 SER 80 HB1 SER 80 20.459 0.974 20.424 540 HG SER 80 HG SER 80 20.644 3.033 20.379 541 H ALA 81 HN ALA 81 16.517 1.049 19.705 542 HA ALA 81 HA ALA 81 16.203 -1.786 20.166 543 HB1 ALA 81 HB1 ALA 81 14.324 -1.137 21.669 544 HB2 ALA 81 HB2 ALA 81 14.644 0.555 21.279 545 HB3 ALA 81 HB3 ALA 81 15.850 -0.388 22.148 546 H TYR 82 HN TYR 82 16.027 -0.258 17.719 547 HA TYR 82 HA TYR 82 13.404 -1.019 16.783 548 HB2 TYR 82 HB2 TYR 82 14.554 1.635 16.894 549 HB3 TYR 82 HB1 TYR 82 13.789 1.243 15.360 550 HD1 TYR 82 HD1 TYR 82 13.178 1.399 19.042 551 HD2 TYR 82 HD2 TYR 82 11.543 1.554 15.137 552 HE1 TYR 82 HE1 TYR 82 11.026 2.145 19.976 553 HE2 TYR 82 HE2 TYR 82 9.380 2.297 16.049 554 HH TYR 82 HH TYR 82 9.140 3.464 19.152 555 H ALA 83 HN ALA 83 13.465 -0.417 14.292 556 HA ALA 83 HA ALA 83 14.238 -0.591 12.191 557 HB1 ALA 83 HB1 ALA 83 16.353 0.287 11.659 558 HB2 ALA 83 HB2 ALA 83 16.866 0.132 13.349 559 HB3 ALA 83 HB3 ALA 83 15.578 1.284 12.914 560 H ASP 84 HN ASP 84 14.974 -2.771 14.284 561 HA ASP 84 HA ASP 84 16.958 -4.261 12.891 562 HB2 ASP 84 HB2 ASP 84 16.646 -4.563 15.335 563 HB3 ASP 84 HB1 ASP 84 15.050 -5.234 15.047 564 H ASP 85 HN ASP 85 15.740 -3.767 11.004 565 HA ASP 85 HA ASP 85 14.343 -4.062 9.250 566 HB2 ASP 85 HB2 ASP 85 16.050 -5.847 8.934 567 HB3 ASP 85 HB1 ASP 85 14.977 -6.974 9.761 568 H ASP 86 HN ASP 86 12.842 -3.312 10.948 569 HA ASP 86 HA ASP 86 10.625 -5.185 11.295 570 HB2 ASP 86 HB2 ASP 86 12.151 -4.876 13.256 571 HB3 ASP 86 HB1 ASP 86 11.663 -3.202 13.287 572 H GLU 87 HN GLU 87 8.979 -4.293 10.224 573 HA GLU 87 HA GLU 87 8.599 -1.399 10.240 574 HB2 GLU 87 HB2 GLU 87 7.292 -3.594 8.756 575 HB3 GLU 87 HB1 GLU 87 6.825 -1.897 8.581 576 HG2 GLU 87 HG2 GLU 87 9.111 -1.432 7.727 577 HG3 GLU 87 HG1 GLU 87 9.462 -3.160 7.830 578 H SER 88 HN SER 88 6.501 -0.608 10.938 579 HA SER 88 HA SER 88 5.425 -2.181 13.080 580 HB2 SER 88 HB2 SER 88 4.558 0.535 12.066 581 HB3 SER 88 HB1 SER 88 4.106 -0.201 13.608 582 HG SER 88 HG SER 88 6.703 -0.324 13.516 583 H CYS 89 HN CYS 89 4.449 -3.926 12.109 584 HA CYS 89 HA CYS 89 1.943 -3.342 10.715 585 HB2 CYS 89 HB2 CYS 89 3.833 -5.670 10.216 586 HB3 CYS 89 HB1 CYS 89 2.286 -5.425 9.415 587 HG CYS 89 HG CYS 89 3.188 -2.948 8.311 Start of MODEL 3 1 H GLY 11 HT1 GLY 11 6.028 4.000 7.575 2 HA2 GLY 11 HA1 GLY 11 4.789 4.781 5.011 3 HA3 GLY 11 HA2 GLY 11 4.692 5.701 6.517 4 H ARG 12 HN ARG 12 5.926 6.240 3.844 5 HA ARG 12 HA ARG 12 7.543 7.395 3.031 6 HB2 ARG 12 HB2 ARG 12 7.912 8.691 5.007 7 HB3 ARG 12 HB1 ARG 12 8.845 7.394 5.747 8 HG2 ARG 12 HG2 ARG 12 10.511 7.617 3.928 9 HG3 ARG 12 HG1 ARG 12 9.609 9.008 3.323 10 HD2 ARG 12 HD2 ARG 12 10.024 10.229 5.318 11 HD3 ARG 12 HD1 ARG 12 10.700 8.806 6.114 12 HE ARG 12 HE ARG 12 12.059 9.502 3.710 13 HH11 ARG 12 HH11 ARG 12 11.919 9.966 7.184 14 HH12 ARG 12 HH12 ARG 12 13.463 10.696 7.303 15 HH21 ARG 12 HH21 ARG 12 14.186 10.420 3.850 16 HH22 ARG 12 HH22 ARG 12 14.790 10.988 5.331 17 H GLU 13 HN GLU 13 7.831 5.809 1.677 18 HA GLU 13 HA GLU 13 10.190 4.122 2.012 19 HB2 GLU 13 HB2 GLU 13 8.089 3.178 1.046 20 HB3 GLU 13 HB1 GLU 13 8.161 4.374 -0.231 21 HG2 GLU 13 HG2 GLU 13 10.232 3.371 -1.056 22 HG3 GLU 13 HG1 GLU 13 10.159 2.173 0.241 23 H ASN 14 HN ASN 14 11.978 5.266 1.661 24 HA ASN 14 HA ASN 14 12.108 7.690 0.205 25 HB2 ASN 14 HB2 ASN 14 14.353 5.824 0.986 26 HB3 ASN 14 HB1 ASN 14 14.595 7.415 0.280 27 HD21 ASN 14 HD21 ASN 14 15.475 6.402 2.870 28 HD22 ASN 14 HD22 ASN 14 14.746 7.431 4.039 29 H LEU 15 HN LEU 15 13.427 4.524 -0.564 30 HA LEU 15 HA LEU 15 12.922 4.757 -3.394 31 HB2 LEU 15 HB2 LEU 15 15.676 4.313 -2.171 32 HB3 LEU 15 HB1 LEU 15 15.299 4.092 -3.856 33 HG LEU 15 HG LEU 15 15.250 6.755 -2.420 34 HD11 LEU 15 HD11 LEU 15 17.311 5.557 -4.270 35 HD12 LEU 15 HD12 LEU 15 17.509 5.828 -2.539 36 HD13 LEU 15 HD13 LEU 15 17.331 7.201 -3.631 37 HD21 LEU 15 HD21 LEU 15 15.088 6.062 -5.355 38 HD22 LEU 15 HD22 LEU 15 15.174 7.687 -4.683 39 HD23 LEU 15 HD23 LEU 15 13.766 6.677 -4.362 40 H TYR 16 HN TYR 16 13.695 2.426 -4.229 41 HA TYR 16 HA TYR 16 12.918 0.575 -2.165 42 HB2 TYR 16 HB2 TYR 16 12.205 0.077 -4.511 43 HB3 TYR 16 HB1 TYR 16 13.897 -0.075 -4.978 44 HD1 TYR 16 HD2 TYR 16 11.240 -1.579 -2.896 45 HD2 TYR 16 HD1 TYR 16 15.100 -2.110 -4.589 46 HE1 TYR 16 HE2 TYR 16 11.205 -3.946 -2.221 47 HE2 TYR 16 HE1 TYR 16 15.080 -4.473 -3.917 48 HH TYR 16 HH TYR 16 12.310 -6.061 -2.969 49 H PHE 17 HN PHE 17 14.459 1.039 -0.708 50 HA PHE 17 HA PHE 17 17.145 0.261 -1.435 51 HB2 PHE 17 HB2 PHE 17 17.910 1.225 0.730 52 HB3 PHE 17 HB1 PHE 17 17.150 2.387 -0.335 53 HD1 PHE 17 HD2 PHE 17 14.833 3.199 0.232 54 HD2 PHE 17 HD1 PHE 17 17.148 0.840 2.909 55 HE1 PHE 17 HE2 PHE 17 13.415 3.943 2.098 56 HE2 PHE 17 HE1 PHE 17 15.740 1.584 4.781 57 HZ PHE 17 HZ PHE 17 13.873 3.138 4.382 58 H GLN 18 HN GLN 18 17.352 -1.781 -1.476 59 HA GLN 18 HA GLN 18 16.253 -3.404 0.691 60 HB2 GLN 18 HB2 GLN 18 16.052 -4.159 -1.727 61 HB3 GLN 18 HB1 GLN 18 17.808 -4.273 -1.761 62 HG2 GLN 18 HG2 GLN 18 17.696 -5.907 0.081 63 HG3 GLN 18 HG1 GLN 18 15.940 -5.867 -0.027 64 HE21 GLN 18 HE21 GLN 18 17.711 -8.061 -0.347 65 HE22 GLN 18 HE22 GLN 18 17.439 -8.732 -1.917 66 H GLY 19 HN GLY 19 17.551 -3.244 2.435 67 HA2 GLY 19 HA2 GLY 19 20.335 -3.947 2.130 68 HA3 GLY 19 HA1 GLY 19 20.049 -2.290 2.625 69 H HIS 20 HN HIS 20 21.362 -3.220 4.389 70 HA HIS 20 HA HIS 20 19.795 -4.636 6.413 71 HB2 HIS 20 HB2 HIS 20 22.212 -5.243 5.910 72 HB3 HIS 20 HB1 HIS 20 22.663 -3.647 6.490 73 HD1 HIS 20 HD1 HIS 20 22.560 -3.284 9.135 74 HD2 HIS 20 HD2 HIS 20 21.598 -7.108 7.808 75 HE1 HIS 20 HE1 HIS 20 22.639 -4.763 11.154 76 H MET 21 HN MET 21 19.375 -3.555 8.425 77 HA MET 21 HA MET 21 18.958 -0.781 8.129 78 HB2 MET 21 HB2 MET 21 18.115 -0.861 10.462 79 HB3 MET 21 HB1 MET 21 17.332 -1.990 9.375 80 HG2 MET 21 HG2 MET 21 19.513 -2.728 11.314 81 HG3 MET 21 HG1 MET 21 17.790 -2.877 11.650 82 HE1 MET 21 HE1 MET 21 18.881 -6.591 11.231 83 HE2 MET 21 HE2 MET 21 18.060 -5.419 12.261 84 HE3 MET 21 HE3 MET 21 19.799 -5.286 11.980 85 H ALA 22 HN ALA 22 20.303 0.733 8.366 86 HA ALA 22 HA ALA 22 22.075 0.826 10.633 87 HB1 ALA 22 HB1 ALA 22 23.979 1.603 9.260 88 HB2 ALA 22 HB2 ALA 22 23.046 1.263 7.802 89 HB3 ALA 22 HB3 ALA 22 23.535 -0.060 8.859 90 H TRP 23 HN TRP 23 20.433 2.131 11.243 91 HA TRP 23 HA TRP 23 19.841 4.568 9.772 92 HB2 TRP 23 HB2 TRP 23 18.605 3.154 12.138 93 HB3 TRP 23 HB1 TRP 23 18.077 4.745 11.562 94 HD1 TRP 23 HD1 TRP 23 18.929 1.971 9.222 95 HE1 TRP 23 HE1 TRP 23 16.738 1.239 7.899 96 HE3 TRP 23 HE3 TRP 23 15.551 4.664 11.792 97 HZ2 TRP 23 HZ2 TRP 23 13.975 1.838 8.056 98 HZ3 TRP 23 HZ3 TRP 23 13.198 4.521 11.199 99 HH2 TRP 23 HH2 TRP 23 12.432 3.127 9.357 100 H LYS 24 HN LYS 24 19.157 6.217 11.938 101 HA LYS 24 HA LYS 24 21.807 6.915 12.914 102 HB2 LYS 24 HB2 LYS 24 19.200 8.436 13.059 103 HB3 LYS 24 HB1 LYS 24 20.767 9.004 13.595 104 HG2 LYS 24 HG2 LYS 24 20.229 8.262 10.739 105 HG3 LYS 24 HG1 LYS 24 20.112 9.910 11.378 106 HD2 LYS 24 HD2 LYS 24 22.339 10.008 11.911 107 HD3 LYS 24 HD1 LYS 24 22.602 8.290 11.839 108 HE2 LYS 24 HE2 LYS 24 22.046 8.572 9.309 109 HE3 LYS 24 HE1 LYS 24 22.275 10.296 9.610 110 HZ1 LYS 24 HZ1 LYS 24 24.265 8.173 10.130 111 HZ2 LYS 24 HZ2 LYS 24 24.528 9.804 10.402 112 HZ3 LYS 24 HZ3 LYS 24 24.329 9.237 8.833 113 H ASP 25 HN ASP 25 21.169 8.236 15.159 114 HA ASP 25 HA ASP 25 21.336 5.938 16.864 115 HB2 ASP 25 HB2 ASP 25 22.544 8.372 16.933 116 HB3 ASP 25 HB1 ASP 25 21.266 8.567 18.133 117 H CYS 26 HN CYS 26 19.030 8.351 16.127 118 HA CYS 26 HA CYS 26 17.131 7.279 18.141 119 HB2 CYS 26 HB2 CYS 26 17.423 10.068 17.135 120 HB3 CYS 26 HB1 CYS 26 16.234 9.538 18.318 121 H ILE 27 HN ILE 27 15.088 6.990 17.450 122 HA ILE 27 HA ILE 27 14.680 7.327 14.574 123 HB ILE 27 HB ILE 27 15.065 4.996 15.323 124 HG12 ILE 27 HG12 ILE 27 12.216 5.139 14.426 125 HG13 ILE 27 HG11 ILE 27 13.499 5.670 13.341 126 HG21 ILE 27 HG21 ILE 27 13.333 3.785 16.519 127 HG22 ILE 27 HG22 ILE 27 12.501 5.317 16.811 128 HG23 ILE 27 HG23 ILE 27 14.107 5.041 17.498 129 HD11 ILE 27 HD11 ILE 27 12.866 3.297 13.032 130 HD12 ILE 27 HD12 ILE 27 13.513 2.985 14.683 131 HD13 ILE 27 HD13 ILE 27 14.540 3.610 13.410 132 H ILE 28 HN ILE 28 12.787 8.239 13.924 133 HA ILE 28 HA ILE 28 11.041 9.186 16.095 134 HB ILE 28 HB ILE 28 11.922 10.760 13.674 135 HG12 ILE 28 HG12 ILE 28 13.895 10.532 15.033 136 HG13 ILE 28 HG11 ILE 28 13.290 12.171 15.198 137 HG21 ILE 28 HG21 ILE 28 9.801 11.472 14.432 138 HG22 ILE 28 HG22 ILE 28 10.984 12.704 14.896 139 HG23 ILE 28 HG23 ILE 28 10.369 11.554 16.094 140 HD11 ILE 28 HD11 ILE 28 12.953 9.944 17.200 141 HD12 ILE 28 HD12 ILE 28 12.382 11.606 17.397 142 HD13 ILE 28 HD13 ILE 28 14.111 11.261 17.298 143 H GLN 29 HN GLN 29 9.122 8.362 15.672 144 HA GLN 29 HA GLN 29 8.319 7.779 12.930 145 HB2 GLN 29 HB2 GLN 29 7.272 6.950 15.620 146 HB3 GLN 29 HB1 GLN 29 6.509 6.477 14.112 147 HG2 GLN 29 HG2 GLN 29 8.682 5.333 13.480 148 HG3 GLN 29 HG1 GLN 29 9.301 5.818 15.037 149 HE21 GLN 29 HE21 GLN 29 8.816 3.134 13.836 150 HE22 GLN 29 HE22 GLN 29 7.849 2.315 14.996 151 H ARG 30 HN ARG 30 6.617 8.861 11.990 152 HA ARG 30 HA ARG 30 5.522 11.099 13.516 153 HB2 ARG 30 HB2 ARG 30 6.695 11.190 11.103 154 HB3 ARG 30 HB1 ARG 30 5.068 10.763 10.594 155 HG2 ARG 30 HG2 ARG 30 4.211 12.634 11.930 156 HG3 ARG 30 HG1 ARG 30 5.865 13.160 12.199 157 HD2 ARG 30 HD2 ARG 30 5.261 14.513 10.422 158 HD3 ARG 30 HD1 ARG 30 5.964 13.134 9.559 159 HE ARG 30 HE ARG 30 3.600 12.337 9.345 160 HH11 ARG 30 HH11 ARG 30 4.463 15.784 9.258 161 HH12 ARG 30 HH12 ARG 30 2.942 16.279 8.749 162 HH21 ARG 30 HH21 ARG 30 1.453 13.096 8.635 163 HH22 ARG 30 HH22 ARG 30 1.202 14.784 8.511 164 H TYR 31 HN TYR 31 3.575 10.544 14.319 165 HA TYR 31 HA TYR 31 1.865 8.606 12.983 166 HB2 TYR 31 HB2 TYR 31 1.951 9.733 15.719 167 HB3 TYR 31 HB1 TYR 31 0.507 8.885 15.137 168 HD1 TYR 31 HD1 TYR 31 4.174 8.564 15.659 169 HD2 TYR 31 HD2 TYR 31 0.428 6.593 15.367 170 HE1 TYR 31 HE1 TYR 31 5.225 6.509 16.380 171 HE2 TYR 31 HE2 TYR 31 1.440 4.520 16.082 172 HH TYR 31 HH TYR 31 4.563 4.364 17.417 173 H LYS 32 HN LYS 32 -0.255 9.068 12.483 174 HA LYS 32 HA LYS 32 -1.109 11.813 12.624 175 HB2 LYS 32 HB2 LYS 32 0.250 11.188 10.487 176 HB3 LYS 32 HB1 LYS 32 -1.230 10.321 10.100 177 HG2 LYS 32 HG2 LYS 32 -1.143 13.236 10.698 178 HG3 LYS 32 HG1 LYS 32 -0.913 12.576 9.082 179 HD2 LYS 32 HD2 LYS 32 -3.127 11.532 9.164 180 HD3 LYS 32 HD1 LYS 32 -3.376 12.199 10.782 181 HE2 LYS 32 HE2 LYS 32 -3.233 14.462 9.862 182 HE3 LYS 32 HE1 LYS 32 -2.942 13.783 8.260 183 HZ1 LYS 32 HZ1 LYS 32 -5.365 13.198 9.836 184 HZ2 LYS 32 HZ2 LYS 32 -5.106 12.864 8.204 185 HZ3 LYS 32 HZ3 LYS 32 -5.290 14.460 8.721 186 H ASP 33 HN ASP 33 -3.032 11.678 13.386 187 HA ASP 33 HA ASP 33 -5.052 11.031 14.067 188 HB2 ASP 33 HB2 ASP 33 -5.034 10.046 11.334 189 HB3 ASP 33 HB1 ASP 33 -6.387 9.525 12.347 190 H GLY 34 HN GLY 34 -2.941 9.417 14.980 191 HA2 GLY 34 HA2 GLY 34 -3.208 7.843 16.710 192 HA3 GLY 34 HA1 GLY 34 -4.640 7.266 15.857 193 H ASP 35 HN ASP 35 -2.666 7.308 13.316 194 HA ASP 35 HA ASP 35 -1.379 4.803 13.988 195 HB2 ASP 35 HB2 ASP 35 -1.844 4.040 11.756 196 HB3 ASP 35 HB1 ASP 35 -3.337 4.226 12.661 197 H VAL 36 HN VAL 36 0.308 4.337 12.567 198 HA VAL 36 HA VAL 36 1.955 6.671 12.531 199 HB VAL 36 HB VAL 36 2.848 4.526 13.272 200 HG11 VAL 36 HG11 VAL 36 1.780 3.069 11.716 201 HG12 VAL 36 HG12 VAL 36 3.527 2.811 11.685 202 HG13 VAL 36 HG13 VAL 36 2.729 3.733 10.393 203 HG21 VAL 36 HG21 VAL 36 4.316 5.749 10.955 204 HG22 VAL 36 HG22 VAL 36 5.044 4.715 12.200 205 HG23 VAL 36 HG23 VAL 36 4.355 6.286 12.634 206 H ASN 37 HN ASN 37 2.775 7.822 10.929 207 HA ASN 37 HA ASN 37 1.513 7.565 8.310 208 HB2 ASN 37 HB2 ASN 37 0.693 9.366 9.491 209 HB3 ASN 37 HB1 ASN 37 2.256 9.815 10.075 210 HD21 ASN 37 HD21 ASN 37 0.021 10.009 7.464 211 HD22 ASN 37 HD22 ASN 37 0.841 11.203 6.561 212 H ASN 38 HN ASN 38 4.366 9.077 9.749 213 HA ASN 38 HA ASN 38 5.910 8.224 7.436 214 HB2 ASN 38 HB2 ASN 38 5.819 10.911 8.687 215 HB3 ASN 38 HB1 ASN 38 7.397 10.315 8.202 216 HD21 ASN 38 HD21 ASN 38 4.216 11.279 6.984 217 HD22 ASN 38 HD22 ASN 38 4.736 11.509 5.366 218 H ILE 39 HN ILE 39 8.273 8.301 7.874 219 HA ILE 39 HA ILE 39 9.006 7.550 10.599 220 HB ILE 39 HB ILE 39 9.263 5.913 8.125 221 HG12 ILE 39 HG12 ILE 39 9.184 3.995 9.743 222 HG13 ILE 39 HG11 ILE 39 8.973 5.167 11.028 223 HG21 ILE 39 HG21 ILE 39 11.475 5.798 10.149 224 HG22 ILE 39 HG22 ILE 39 11.601 6.295 8.462 225 HG23 ILE 39 HG23 ILE 39 11.183 4.635 8.861 226 HD11 ILE 39 HD11 ILE 39 6.869 4.155 10.375 227 HD12 ILE 39 HD12 ILE 39 7.111 4.709 8.717 228 HD13 ILE 39 HD13 ILE 39 6.874 5.882 10.011 229 H TYR 40 HN TYR 40 10.931 8.439 11.259 230 HA TYR 40 HA TYR 40 12.820 9.456 9.280 231 HB2 TYR 40 HB2 TYR 40 12.008 11.055 11.748 232 HB3 TYR 40 HB1 TYR 40 13.090 11.543 10.460 233 HD1 TYR 40 HD2 TYR 40 12.101 12.079 8.183 234 HD2 TYR 40 HD1 TYR 40 9.711 11.471 11.644 235 HE1 TYR 40 HE2 TYR 40 10.225 13.208 7.078 236 HE2 TYR 40 HE1 TYR 40 7.841 12.610 10.545 237 HH TYR 40 HH TYR 40 7.761 13.340 7.231 238 H THR 41 HN THR 41 14.936 9.764 10.384 239 HA THR 41 HA THR 41 15.118 8.899 13.061 240 HB THR 41 HB THR 41 15.389 6.793 12.363 241 HG1 THR 41 HG1 THR 41 17.105 7.254 13.623 242 HG21 THR 41 HG21 THR 41 17.020 7.607 9.932 243 HG22 THR 41 HG22 THR 41 15.351 6.984 9.991 244 HG23 THR 41 HG23 THR 41 16.671 5.953 10.446 245 H ALA 42 HN ALA 42 16.905 9.675 14.073 246 HA ALA 42 HA ALA 42 18.543 11.658 12.633 247 HB1 ALA 42 HB1 ALA 42 17.986 13.370 14.312 248 HB2 ALA 42 HB2 ALA 42 16.878 12.252 15.084 249 HB3 ALA 42 HB3 ALA 42 16.526 12.846 13.469 250 H ASN 43 HN ASN 43 20.331 12.414 14.046 251 HA ASN 43 HA ASN 43 21.331 10.290 15.665 252 HB2 ASN 43 HB2 ASN 43 22.340 13.037 15.000 253 HB3 ASN 43 HB1 ASN 43 23.137 12.066 16.229 254 HD21 ASN 43 HD21 ASN 43 23.838 13.032 13.469 255 HD22 ASN 43 HD22 ASN 43 24.459 11.620 12.697 256 H ARG 44 HN ARG 44 21.893 10.581 18.036 257 HA ARG 44 HA ARG 44 19.938 11.952 19.486 258 HB2 ARG 44 HB2 ARG 44 21.598 11.384 21.443 259 HB3 ARG 44 HB1 ARG 44 20.728 10.116 20.575 260 HG2 ARG 44 HG2 ARG 44 22.612 9.490 19.380 261 HG3 ARG 44 HG1 ARG 44 23.540 10.884 19.883 262 HD2 ARG 44 HD2 ARG 44 23.594 10.094 22.123 263 HD3 ARG 44 HD1 ARG 44 22.429 8.814 21.773 264 HE ARG 44 HE ARG 44 24.298 8.094 20.136 265 HH11 ARG 44 HH11 ARG 44 24.749 9.276 23.455 266 HH12 ARG 44 HH12 ARG 44 26.168 8.375 23.716 267 HH21 ARG 44 HH21 ARG 44 26.228 6.849 20.527 268 HH22 ARG 44 HH22 ARG 44 27.006 6.942 22.036 269 H ASN 45 HN ASN 45 19.748 13.917 19.849 270 HA ASN 45 HA ASN 45 19.986 16.069 20.160 271 HB2 ASN 45 HB2 ASN 45 22.944 15.901 20.301 272 HB3 ASN 45 HB1 ASN 45 21.879 17.237 20.766 273 HD21 ASN 45 HD21 ASN 45 23.513 14.461 21.818 274 HD22 ASN 45 HD22 ASN 45 22.912 14.449 23.444 275 H GLU 46 HN GLU 46 19.231 15.819 17.959 276 HA GLU 46 HA GLU 46 20.920 17.323 16.231 277 HB2 GLU 46 HB2 GLU 46 21.562 15.022 15.781 278 HB3 GLU 46 HB1 GLU 46 19.878 14.573 15.559 279 HG2 GLU 46 HG2 GLU 46 19.708 15.804 13.583 280 HG3 GLU 46 HG1 GLU 46 21.221 16.641 13.954 281 H GLU 47 HN GLU 47 19.698 18.645 14.968 282 HA GLU 47 HA GLU 47 16.840 18.400 15.285 283 HB2 GLU 47 HB2 GLU 47 17.780 20.454 16.124 284 HB3 GLU 47 HB1 GLU 47 18.608 20.743 14.608 285 HG2 GLU 47 HG2 GLU 47 16.451 21.094 13.523 286 HG3 GLU 47 HG1 GLU 47 15.637 20.792 15.064 287 H ILE 48 HN ILE 48 15.721 17.707 13.742 288 HA ILE 48 HA ILE 48 16.773 17.606 11.051 289 HB ILE 48 HB ILE 48 14.945 16.029 10.611 290 HG12 ILE 48 HG12 ILE 48 14.201 16.390 13.530 291 HG13 ILE 48 HG11 ILE 48 13.300 16.958 12.125 292 HG21 ILE 48 HG21 ILE 48 16.531 15.283 13.064 293 HG22 ILE 48 HG22 ILE 48 17.052 15.121 11.387 294 HG23 ILE 48 HG23 ILE 48 15.702 14.159 11.987 295 HD11 ILE 48 HD11 ILE 48 12.895 14.709 11.404 296 HD12 ILE 48 HD12 ILE 48 12.317 14.945 13.054 297 HD13 ILE 48 HD13 ILE 48 13.834 14.073 12.757 298 H THR 49 HN THR 49 14.664 17.794 9.474 299 HA THR 49 HA THR 49 12.918 19.799 10.547 300 HB THR 49 HB THR 49 13.974 20.048 7.827 301 HG1 THR 49 HG1 THR 49 15.212 20.532 10.220 302 HG21 THR 49 HG21 THR 49 13.282 22.414 8.099 303 HG22 THR 49 HG22 THR 49 12.770 22.026 9.739 304 HG23 THR 49 HG23 THR 49 11.955 21.271 8.366 305 H ILE 50 HN ILE 50 10.942 19.543 9.929 306 HA ILE 50 HA ILE 50 10.319 17.432 7.987 307 HB ILE 50 HB ILE 50 8.877 18.057 10.581 308 HG12 ILE 50 HG12 ILE 50 10.262 15.523 9.714 309 HG13 ILE 50 HG11 ILE 50 11.004 16.760 10.716 310 HG21 ILE 50 HG21 ILE 50 8.179 16.009 8.476 311 HG22 ILE 50 HG22 ILE 50 7.273 17.481 8.832 312 HG23 ILE 50 HG23 ILE 50 7.377 16.195 10.035 313 HD11 ILE 50 HD11 ILE 50 8.577 15.075 11.401 314 HD12 ILE 50 HD12 ILE 50 9.221 16.350 12.414 315 HD13 ILE 50 HD13 ILE 50 10.185 14.911 12.102 316 H GLU 51 HN GLU 51 9.564 18.778 6.277 317 HA GLU 51 HA GLU 51 8.233 20.216 5.112 318 HB2 GLU 51 HB2 GLU 51 6.431 19.903 7.525 319 HB3 GLU 51 HB1 GLU 51 5.939 20.539 5.957 320 HG2 GLU 51 HG2 GLU 51 6.507 18.485 4.909 321 HG3 GLU 51 HG1 GLU 51 7.038 17.783 6.432 322 H GLU 52 HN GLU 52 10.236 21.250 6.659 323 HA GLU 52 HA GLU 52 11.196 23.036 7.419 324 HB2 GLU 52 HB2 GLU 52 8.908 24.475 6.122 325 HB3 GLU 52 HB1 GLU 52 10.298 25.314 6.803 326 HG2 GLU 52 HG2 GLU 52 10.275 23.406 4.490 327 HG3 GLU 52 HG1 GLU 52 10.659 25.133 4.563 328 H TYR 53 HN TYR 53 9.196 21.648 9.077 329 HA TYR 53 HA TYR 53 9.096 23.629 11.239 330 HB2 TYR 53 HB2 TYR 53 8.086 20.758 11.228 331 HB3 TYR 53 HB1 TYR 53 7.670 22.028 12.364 332 HD1 TYR 53 HD1 TYR 53 6.726 24.218 10.834 333 HD2 TYR 53 HD2 TYR 53 6.249 20.073 9.986 334 HE1 TYR 53 HE1 TYR 53 4.702 24.714 9.547 335 HE2 TYR 53 HE2 TYR 53 4.241 20.557 8.706 336 HH TYR 53 HH TYR 53 3.380 23.650 7.726 337 H LYS 54 HN LYS 54 11.052 23.619 12.302 338 HA LYS 54 HA LYS 54 12.751 21.351 11.929 339 HB2 LYS 54 HB2 LYS 54 14.484 22.644 12.937 340 HB3 LYS 54 HB1 LYS 54 13.655 23.749 11.821 341 HG2 LYS 54 HG2 LYS 54 12.510 24.234 13.986 342 HG3 LYS 54 HG1 LYS 54 13.977 23.561 14.701 343 HD2 LYS 54 HD2 LYS 54 15.313 25.090 13.166 344 HD3 LYS 54 HD1 LYS 54 13.809 25.949 12.839 345 HE2 LYS 54 HE2 LYS 54 14.877 27.194 14.526 346 HE3 LYS 54 HE1 LYS 54 13.626 26.269 15.353 347 HZ1 LYS 54 HZ1 LYS 54 16.531 25.703 15.280 348 HZ2 LYS 54 HZ2 LYS 54 15.465 24.594 15.872 349 HZ3 LYS 54 HZ3 LYS 54 15.628 26.096 16.641 350 H VAL 55 HN VAL 55 13.334 19.927 13.344 351 HA VAL 55 HA VAL 55 11.908 19.885 15.919 352 HB VAL 55 HB VAL 55 12.257 17.609 13.967 353 HG11 VAL 55 HG11 VAL 55 10.855 17.662 16.629 354 HG12 VAL 55 HG12 VAL 55 12.361 16.821 16.247 355 HG13 VAL 55 HG13 VAL 55 10.853 16.314 15.487 356 HG21 VAL 55 HG21 VAL 55 9.772 19.107 14.791 357 HG22 VAL 55 HG22 VAL 55 9.788 17.646 13.811 358 HG23 VAL 55 HG23 VAL 55 10.535 19.127 13.200 359 H PHE 56 HN PHE 56 13.339 19.675 17.528 360 HA PHE 56 HA PHE 56 16.006 18.668 16.945 361 HB2 PHE 56 HB2 PHE 56 15.942 20.805 18.082 362 HB3 PHE 56 HB1 PHE 56 14.848 20.139 19.306 363 HD1 PHE 56 HD1 PHE 56 18.264 19.672 17.887 364 HD2 PHE 56 HD2 PHE 56 15.704 19.303 21.259 365 HE1 PHE 56 HE1 PHE 56 20.176 19.021 19.244 366 HE2 PHE 56 HE2 PHE 56 17.593 18.651 22.640 367 HZ PHE 56 HZ PHE 56 19.866 18.502 21.650 368 H VAL 57 HN VAL 57 16.457 16.674 17.326 369 HA VAL 57 HA VAL 57 14.785 15.138 19.131 370 HB VAL 57 HB VAL 57 17.031 14.223 17.316 371 HG11 VAL 57 HG11 VAL 57 16.723 12.771 19.273 372 HG12 VAL 57 HG12 VAL 57 16.183 11.961 17.803 373 HG13 VAL 57 HG13 VAL 57 15.004 12.652 18.919 374 HG21 VAL 57 HG21 VAL 57 15.105 15.041 16.071 375 HG22 VAL 57 HG22 VAL 57 14.045 14.014 17.050 376 HG23 VAL 57 HG23 VAL 57 15.217 13.276 15.962 377 H ASN 58 HN ASN 58 15.339 15.159 21.149 378 HA ASN 58 HA ASN 58 17.862 15.911 22.187 379 HB2 ASN 58 HB2 ASN 58 15.813 16.345 23.366 380 HB3 ASN 58 HB1 ASN 58 15.339 14.643 23.329 381 HD21 ASN 58 HD21 ASN 58 15.403 16.610 25.494 382 HD22 ASN 58 HD22 ASN 58 16.447 15.971 26.701 383 H GLU 59 HN GLU 59 18.945 14.401 23.645 384 HA GLU 59 HA GLU 59 19.863 12.132 22.134 385 HB2 GLU 59 HB2 GLU 59 21.407 11.719 24.095 386 HB3 GLU 59 HB1 GLU 59 21.576 13.252 23.253 387 HG2 GLU 59 HG2 GLU 59 20.244 14.339 24.978 388 HG3 GLU 59 HG1 GLU 59 20.132 12.809 25.844 389 H ALA 60 HN ALA 60 17.410 12.494 24.316 390 HA ALA 60 HA ALA 60 17.351 9.785 25.234 391 HB1 ALA 60 HB1 ALA 60 15.118 10.314 26.047 392 HB2 ALA 60 HB2 ALA 60 15.181 11.874 25.218 393 HB3 ALA 60 HB3 ALA 60 16.292 11.531 26.563 394 H CYS 61 HN CYS 61 16.961 11.246 22.376 395 HA CYS 61 HA CYS 61 16.227 10.723 20.366 396 HB2 CYS 61 HB2 CYS 61 15.793 8.042 21.670 397 HB3 CYS 61 HB1 CYS 61 15.682 8.313 19.931 398 H HIS 62 HN HIS 62 14.734 11.983 22.026 399 HA HIS 62 HA HIS 62 12.099 11.324 20.924 400 HB2 HIS 62 HB2 HIS 62 12.323 11.034 23.519 401 HB3 HIS 62 HB1 HIS 62 12.301 12.796 23.559 402 HD1 HIS 62 HD1 HIS 62 9.973 13.901 23.417 403 HD2 HIS 62 HD2 HIS 62 9.972 9.878 22.377 404 HE1 HIS 62 HE1 HIS 62 7.568 13.268 23.048 405 HA PRO 63 HA PRO 63 12.822 15.276 19.103 406 HB2 PRO 63 HB2 PRO 63 10.733 15.349 17.514 407 HB3 PRO 63 HB1 PRO 63 11.931 14.048 17.322 408 HG2 PRO 63 HG2 PRO 63 9.300 13.957 18.713 409 HG3 PRO 63 HG1 PRO 63 9.991 12.813 17.538 410 HD2 PRO 63 HD2 PRO 63 10.113 12.390 20.211 411 HD3 PRO 63 HD1 PRO 63 11.325 11.819 19.063 412 H TYR 64 HN TYR 64 12.181 17.343 19.108 413 HA TYR 64 HA TYR 64 9.637 18.073 20.236 414 HB2 TYR 64 HB2 TYR 64 12.272 19.241 21.034 415 HB3 TYR 64 HB1 TYR 64 10.778 20.188 21.138 416 HD1 TYR 64 HD1 TYR 64 8.880 19.278 22.473 417 HD2 TYR 64 HD2 TYR 64 12.789 17.756 22.578 418 HE1 TYR 64 HE1 TYR 64 8.371 18.239 24.672 419 HE2 TYR 64 HE2 TYR 64 12.349 16.672 24.800 420 HH TYR 64 HH TYR 64 9.222 16.375 26.056 421 HA PRO 65 HA PRO 65 8.351 19.462 20.409 422 HB2 PRO 65 HB2 PRO 65 6.122 20.173 19.118 423 HB3 PRO 65 HB1 PRO 65 7.258 21.380 19.761 424 HG2 PRO 65 HG2 PRO 65 6.923 20.415 17.009 425 HG3 PRO 65 HG1 PRO 65 7.267 22.072 17.644 426 HD2 PRO 65 HD2 PRO 65 9.133 20.368 16.528 427 HD3 PRO 65 HD1 PRO 65 9.485 21.713 17.632 428 H VAL 66 HN VAL 66 6.379 18.161 20.521 429 HA VAL 66 HA VAL 66 6.831 15.685 19.115 430 HB VAL 66 HB VAL 66 5.021 16.369 21.445 431 HG11 VAL 66 HG11 VAL 66 4.193 14.384 20.278 432 HG12 VAL 66 HG12 VAL 66 4.898 13.950 21.836 433 HG13 VAL 66 HG13 VAL 66 5.801 13.664 20.350 434 HG21 VAL 66 HG21 VAL 66 7.392 16.678 21.899 435 HG22 VAL 66 HG22 VAL 66 7.740 15.071 21.317 436 HG23 VAL 66 HG23 VAL 66 6.789 15.284 22.791 437 H ILE 67 HN ILE 67 4.170 18.026 19.559 438 HA ILE 67 HA ILE 67 2.935 16.728 17.318 439 HB ILE 67 HB ILE 67 1.715 18.386 19.470 440 HG12 ILE 67 HG12 ILE 67 -0.084 16.816 19.235 441 HG13 ILE 67 HG11 ILE 67 0.652 16.120 17.802 442 HG21 ILE 67 HG21 ILE 67 -0.295 18.911 18.146 443 HG22 ILE 67 HG22 ILE 67 0.495 18.291 16.710 444 HG23 ILE 67 HG23 ILE 67 1.113 19.744 17.479 445 HD11 ILE 67 HD11 ILE 67 1.708 16.040 20.595 446 HD12 ILE 67 HD12 ILE 67 2.509 15.382 19.149 447 HD13 ILE 67 HD13 ILE 67 0.960 14.711 19.687 448 H LEU 68 HN LEU 68 2.877 17.438 15.471 449 HA LEU 68 HA LEU 68 4.230 19.948 14.852 450 HB2 LEU 68 HB2 LEU 68 3.151 17.768 13.063 451 HB3 LEU 68 HB1 LEU 68 3.952 19.206 12.471 452 HG LEU 68 HG LEU 68 5.170 16.946 14.041 453 HD11 LEU 68 HD11 LEU 68 6.529 16.733 12.039 454 HD12 LEU 68 HD12 LEU 68 5.653 18.085 11.316 455 HD13 LEU 68 HD13 LEU 68 4.799 16.582 11.675 456 HD21 LEU 68 HD21 LEU 68 6.429 19.570 13.202 457 HD22 LEU 68 HD22 LEU 68 7.293 18.183 13.850 458 HD23 LEU 68 HD23 LEU 68 6.138 19.046 14.862 459 HA PRO 69 HA PRO 69 0.543 22.269 14.106 460 HB2 PRO 69 HB2 PRO 69 1.268 23.035 11.406 461 HB3 PRO 69 HB1 PRO 69 1.165 24.069 12.851 462 HG2 PRO 69 HG2 PRO 69 3.547 23.576 11.817 463 HG3 PRO 69 HG1 PRO 69 3.296 23.529 13.586 464 HD2 PRO 69 HD2 PRO 69 3.333 21.238 11.670 465 HD3 PRO 69 HD1 PRO 69 4.292 21.374 13.146 466 H ASP 70 HN ASP 70 1.372 19.827 12.079 467 HA ASP 70 HA ASP 70 -1.051 19.696 10.546 468 HB2 ASP 70 HB2 ASP 70 1.082 19.160 9.456 469 HB3 ASP 70 HB1 ASP 70 1.397 17.912 10.640 470 H ARG 71 HN ARG 71 -0.245 18.993 13.683 471 HA ARG 71 HA ARG 71 -1.327 17.935 15.404 472 HB2 ARG 71 HB2 ARG 71 -3.384 18.454 13.991 473 HB3 ARG 71 HB1 ARG 71 -3.093 16.921 13.208 474 HG2 ARG 71 HG2 ARG 71 -4.900 16.517 14.680 475 HG3 ARG 71 HG1 ARG 71 -3.412 15.903 15.438 476 HD2 ARG 71 HD2 ARG 71 -4.055 18.656 16.131 477 HD3 ARG 71 HD1 ARG 71 -5.214 17.464 16.712 478 HE ARG 71 HE ARG 71 -3.040 16.303 17.462 479 HH11 ARG 71 HH11 ARG 71 -3.606 19.782 17.592 480 HH12 ARG 71 HH12 ARG 71 -2.855 19.989 19.099 481 HH21 ARG 71 HH21 ARG 71 -2.052 16.562 19.517 482 HH22 ARG 71 HH22 ARG 71 -1.949 18.090 20.252 483 H SER 72 HN SER 72 0.548 16.736 13.248 484 HA SER 72 HA SER 72 0.373 13.963 13.494 485 HB2 SER 72 HB2 SER 72 2.981 15.272 13.048 486 HB3 SER 72 HB1 SER 72 2.105 14.084 12.056 487 HG SER 72 HG SER 72 1.049 15.696 11.012 488 H VAL 73 HN VAL 73 1.280 12.693 14.890 489 HA VAL 73 HA VAL 73 2.371 13.641 17.422 490 HB VAL 73 HB VAL 73 1.043 11.186 16.379 491 HG11 VAL 73 HG11 VAL 73 1.692 9.842 18.313 492 HG12 VAL 73 HG12 VAL 73 2.792 11.123 18.869 493 HG13 VAL 73 HG13 VAL 73 3.108 10.262 17.359 494 HG21 VAL 73 HG21 VAL 73 0.830 12.685 18.945 495 HG22 VAL 73 HG22 VAL 73 -0.134 11.286 18.458 496 HG23 VAL 73 HG23 VAL 73 -0.246 12.788 17.533 497 H LEU 74 HN LEU 74 4.568 13.701 17.615 498 HA LEU 74 HA LEU 74 6.018 11.770 16.016 499 HB2 LEU 74 HB2 LEU 74 6.839 14.379 17.169 500 HB3 LEU 74 HB1 LEU 74 8.028 13.081 17.149 501 HG LEU 74 HG LEU 74 7.908 12.925 14.788 502 HD11 LEU 74 HD11 LEU 74 6.457 14.468 13.510 503 HD12 LEU 74 HD12 LEU 74 5.641 14.858 15.064 504 HD13 LEU 74 HD13 LEU 74 5.625 13.214 14.434 505 HD21 LEU 74 HD21 LEU 74 9.349 14.660 15.696 506 HD22 LEU 74 HD22 LEU 74 8.014 15.812 15.660 507 HD23 LEU 74 HD23 LEU 74 8.664 15.167 14.154 508 H SER 75 HN SER 75 6.719 10.096 16.729 509 HA SER 75 HA SER 75 7.015 9.816 19.663 510 HB2 SER 75 HB2 SER 75 6.181 7.686 17.683 511 HB3 SER 75 HB1 SER 75 6.416 7.413 19.408 512 HG SER 75 HG SER 75 4.815 9.309 19.501 513 H GLY 76 HN GLY 76 9.040 9.575 20.237 514 HA2 GLY 76 HA2 GLY 76 10.859 8.519 18.184 515 HA3 GLY 76 HA1 GLY 76 11.294 9.820 19.298 516 H ASP 77 HN ASP 77 12.543 7.261 18.848 517 HA ASP 77 HA ASP 77 13.020 6.676 21.647 518 HB2 ASP 77 HB2 ASP 77 11.089 5.067 20.728 519 HB3 ASP 77 HB1 ASP 77 12.450 4.281 19.932 520 H PHE 78 HN PHE 78 14.715 4.869 21.521 521 HA PHE 78 HA PHE 78 16.853 5.998 19.892 522 HB2 PHE 78 HB2 PHE 78 16.679 3.678 21.723 523 HB3 PHE 78 HB1 PHE 78 18.212 4.219 21.038 524 HD1 PHE 78 HD2 PHE 78 15.458 5.069 23.446 525 HD2 PHE 78 HD1 PHE 78 19.428 5.974 22.160 526 HE1 PHE 78 HE2 PHE 78 15.807 6.438 25.439 527 HE2 PHE 78 HE1 PHE 78 19.763 7.327 24.163 528 HZ PHE 78 HZ PHE 78 17.948 7.566 25.808 529 H THR 79 HN THR 79 17.696 4.913 18.016 530 HA THR 79 HA THR 79 15.968 3.035 16.747 531 HB THR 79 HB THR 79 18.728 3.462 15.858 532 HG1 THR 79 HG1 THR 79 18.351 5.447 15.313 533 HG21 THR 79 HG21 THR 79 16.072 3.237 14.531 534 HG22 THR 79 HG22 THR 79 17.431 2.088 14.452 535 HG23 THR 79 HG23 THR 79 17.543 3.686 13.689 536 H SER 80 HN SER 80 18.444 2.711 19.039 537 HA SER 80 HA SER 80 19.526 0.216 18.321 538 HB2 SER 80 HB2 SER 80 19.969 0.279 20.894 539 HB3 SER 80 HB1 SER 80 20.828 1.404 19.810 540 HG SER 80 HG SER 80 19.915 2.942 20.793 541 H ALA 81 HN ALA 81 16.599 1.199 19.837 542 HA ALA 81 HA ALA 81 16.024 -1.544 20.535 543 HB1 ALA 81 HB1 ALA 81 15.666 0.068 22.348 544 HB2 ALA 81 HB2 ALA 81 14.123 -0.635 21.857 545 HB3 ALA 81 HB3 ALA 81 14.563 0.986 21.325 546 H TYR 82 HN TYR 82 16.037 -0.255 17.934 547 HA TYR 82 HA TYR 82 13.446 -1.035 16.970 548 HB2 TYR 82 HB2 TYR 82 14.509 1.653 17.029 549 HB3 TYR 82 HB1 TYR 82 13.786 1.187 15.487 550 HD1 TYR 82 HD1 TYR 82 13.190 1.952 19.034 551 HD2 TYR 82 HD2 TYR 82 11.426 0.780 15.359 552 HE1 TYR 82 HE1 TYR 82 10.958 2.470 19.941 553 HE2 TYR 82 HE2 TYR 82 9.190 1.289 16.253 554 HH TYR 82 HH TYR 82 8.129 1.431 18.401 555 H ALA 83 HN ALA 83 13.573 -0.316 14.472 556 HA ALA 83 HA ALA 83 14.208 -0.716 12.486 557 HB1 ALA 83 HB1 ALA 83 16.269 -0.039 11.660 558 HB2 ALA 83 HB2 ALA 83 17.022 -0.131 13.266 559 HB3 ALA 83 HB3 ALA 83 15.757 1.078 12.928 560 H ASP 84 HN ASP 84 13.565 -2.474 12.415 561 HA ASP 84 HA ASP 84 15.271 -4.546 11.432 562 HB2 ASP 84 HB2 ASP 84 13.412 -4.877 13.766 563 HB3 ASP 84 HB1 ASP 84 13.429 -6.142 12.555 564 H ASP 85 HN ASP 85 13.810 -2.434 10.594 565 HA ASP 85 HA ASP 85 11.136 -2.881 9.965 566 HB2 ASP 85 HB2 ASP 85 13.179 -0.890 9.111 567 HB3 ASP 85 HB1 ASP 85 11.610 -0.904 8.331 568 H ASP 86 HN ASP 86 10.164 -2.959 7.885 569 HA ASP 86 HA ASP 86 11.431 -5.142 6.443 570 HB2 ASP 86 HB2 ASP 86 9.259 -5.597 7.486 571 HB3 ASP 86 HB1 ASP 86 8.547 -4.299 6.556 572 H GLU 87 HN GLU 87 12.733 -3.463 5.398 573 HA GLU 87 HA GLU 87 11.333 -2.290 3.147 574 HB2 GLU 87 HB2 GLU 87 14.057 -2.008 4.182 575 HB3 GLU 87 HB1 GLU 87 13.724 -1.503 2.517 576 HG2 GLU 87 HG2 GLU 87 13.620 0.409 3.965 577 HG3 GLU 87 HG1 GLU 87 11.995 0.028 3.421 578 H SER 88 HN SER 88 13.870 -4.574 3.884 579 HA SER 88 HA SER 88 13.997 -5.595 1.212 580 HB2 SER 88 HB2 SER 88 15.158 -6.689 3.797 581 HB3 SER 88 HB1 SER 88 15.675 -7.099 2.155 582 HG SER 88 HG SER 88 16.750 -5.245 3.574 583 H CYS 89 HN CYS 89 11.833 -6.066 0.953 584 HA CYS 89 HA CYS 89 10.645 -8.202 2.534 585 HB2 CYS 89 HB2 CYS 89 8.512 -7.229 1.474 586 HB3 CYS 89 HB1 CYS 89 9.307 -6.273 2.719 587 HG CYS 89 HG CYS 89 10.431 -4.440 1.022 Start of MODEL 4 1 H GLY 11 HT1 GLY 11 21.094 8.659 4.043 2 HA2 GLY 11 HA1 GLY 11 20.789 9.994 2.063 3 HA3 GLY 11 HA2 GLY 11 19.552 8.857 1.535 4 H ARG 12 HN ARG 12 18.494 11.133 1.601 5 HA ARG 12 HA ARG 12 17.799 12.161 4.174 6 HB2 ARG 12 HB2 ARG 12 16.319 13.681 3.016 7 HB3 ARG 12 HB1 ARG 12 17.863 13.620 2.187 8 HG2 ARG 12 HG2 ARG 12 16.864 12.205 0.460 9 HG3 ARG 12 HG1 ARG 12 15.323 12.234 1.323 10 HD2 ARG 12 HD2 ARG 12 15.323 14.696 1.127 11 HD3 ARG 12 HD1 ARG 12 16.775 14.599 0.139 12 HE ARG 12 HE ARG 12 14.645 12.999 -0.858 13 HH11 ARG 12 HH11 ARG 12 15.946 16.296 -0.836 14 HH12 ARG 12 HH12 ARG 12 15.104 16.790 -2.228 15 HH21 ARG 12 HH21 ARG 12 13.472 13.702 -2.765 16 HH22 ARG 12 HH22 ARG 12 13.677 15.294 -3.344 17 H GLU 13 HN GLU 13 16.478 9.901 2.025 18 HA GLU 13 HA GLU 13 14.779 8.650 3.890 19 HB2 GLU 13 HB2 GLU 13 13.376 10.668 3.162 20 HB3 GLU 13 HB1 GLU 13 13.461 10.043 1.528 21 HG2 GLU 13 HG2 GLU 13 12.279 8.009 2.293 22 HG3 GLU 13 HG1 GLU 13 12.125 8.746 3.894 23 H ASN 14 HN ASN 14 15.877 6.842 3.247 24 HA ASN 14 HA ASN 14 15.881 6.275 0.374 25 HB2 ASN 14 HB2 ASN 14 18.040 5.131 0.608 26 HB3 ASN 14 HB1 ASN 14 18.160 6.811 1.071 27 HD21 ASN 14 HD21 ASN 14 18.262 3.500 2.198 28 HD22 ASN 14 HD22 ASN 14 18.936 3.857 3.739 29 H LEU 15 HN LEU 15 16.317 3.890 -0.008 30 HA LEU 15 HA LEU 15 14.122 2.522 1.307 31 HB2 LEU 15 HB2 LEU 15 15.885 1.685 -0.994 32 HB3 LEU 15 HB1 LEU 15 14.408 0.906 -0.490 33 HG LEU 15 HG LEU 15 14.585 3.681 -1.671 34 HD11 LEU 15 HD11 LEU 15 15.157 1.971 -3.296 35 HD12 LEU 15 HD12 LEU 15 13.563 2.644 -3.645 36 HD13 LEU 15 HD13 LEU 15 13.705 1.066 -2.874 37 HD21 LEU 15 HD21 LEU 15 12.684 3.403 -0.161 38 HD22 LEU 15 HD22 LEU 15 12.197 1.947 -1.032 39 HD23 LEU 15 HD23 LEU 15 12.157 3.518 -1.839 40 H TYR 16 HN TYR 16 14.407 0.241 1.808 41 HA TYR 16 HA TYR 16 16.825 -0.344 3.239 42 HB2 TYR 16 HB2 TYR 16 14.712 -1.202 4.144 43 HB3 TYR 16 HB1 TYR 16 14.354 -2.004 2.626 44 HD1 TYR 16 HD2 TYR 16 16.646 -2.075 5.562 45 HD2 TYR 16 HD1 TYR 16 15.077 -4.206 2.232 46 HE1 TYR 16 HE2 TYR 16 17.692 -4.146 6.388 47 HE2 TYR 16 HE1 TYR 16 16.112 -6.268 3.049 48 HH TYR 16 HH TYR 16 17.983 -6.912 4.458 49 H PHE 17 HN PHE 17 18.204 -0.055 1.506 50 HA PHE 17 HA PHE 17 18.053 -1.867 -0.728 51 HB2 PHE 17 HB2 PHE 17 18.846 0.432 -1.064 52 HB3 PHE 17 HB1 PHE 17 20.212 0.121 0.001 53 HD1 PHE 17 HD2 PHE 17 18.729 -0.586 -3.279 54 HD2 PHE 17 HD1 PHE 17 22.128 -1.099 -0.776 55 HE1 PHE 17 HE2 PHE 17 20.033 -1.364 -5.212 56 HE2 PHE 17 HE1 PHE 17 23.433 -1.879 -2.700 57 HZ PHE 17 HZ PHE 17 22.391 -2.014 -4.922 58 H GLN 18 HN GLN 18 20.069 -1.405 2.082 59 HA GLN 18 HA GLN 18 21.657 -3.759 1.416 60 HB2 GLN 18 HB2 GLN 18 23.230 -2.812 3.124 61 HB3 GLN 18 HB1 GLN 18 22.986 -1.807 1.704 62 HG2 GLN 18 HG2 GLN 18 21.298 -0.515 3.089 63 HG3 GLN 18 HG1 GLN 18 21.915 -1.406 4.482 64 HE21 GLN 18 HE21 GLN 18 23.959 -0.902 5.276 65 HE22 GLN 18 HE22 GLN 18 24.858 0.464 4.726 66 H GLY 19 HN GLY 19 22.074 -5.344 2.961 67 HA2 GLY 19 HA2 GLY 19 19.872 -6.121 4.558 68 HA3 GLY 19 HA1 GLY 19 21.448 -6.903 4.523 69 H HIS 20 HN HIS 20 23.016 -4.740 5.327 70 HA HIS 20 HA HIS 20 22.105 -4.414 8.082 71 HB2 HIS 20 HB2 HIS 20 24.842 -4.042 6.870 72 HB3 HIS 20 HB1 HIS 20 24.442 -3.392 8.450 73 HD1 HIS 20 HD1 HIS 20 26.703 -5.378 8.331 74 HD2 HIS 20 HD2 HIS 20 22.736 -6.498 8.820 75 HE1 HIS 20 HE1 HIS 20 26.747 -7.621 9.479 76 H MET 21 HN MET 21 20.552 -2.918 7.706 77 HA MET 21 HA MET 21 21.051 -0.461 6.443 78 HB2 MET 21 HB2 MET 21 18.983 0.328 7.680 79 HB3 MET 21 HB1 MET 21 18.773 -1.037 6.607 80 HG2 MET 21 HG2 MET 21 19.077 -1.269 9.597 81 HG3 MET 21 HG1 MET 21 17.525 -1.183 8.763 82 HE1 MET 21 HE1 MET 21 17.569 -4.969 9.691 83 HE2 MET 21 HE2 MET 21 16.650 -3.462 9.719 84 HE3 MET 21 HE3 MET 21 18.115 -3.623 10.688 85 H ALA 22 HN ALA 22 21.370 1.568 7.294 86 HA ALA 22 HA ALA 22 22.496 1.633 9.988 87 HB1 ALA 22 HB1 ALA 22 23.741 2.892 7.545 88 HB2 ALA 22 HB2 ALA 22 24.331 1.451 8.366 89 HB3 ALA 22 HB3 ALA 22 24.349 3.005 9.198 90 H TRP 23 HN TRP 23 20.630 2.595 10.677 91 HA TRP 23 HA TRP 23 19.964 5.220 9.646 92 HB2 TRP 23 HB2 TRP 23 18.729 3.438 11.765 93 HB3 TRP 23 HB1 TRP 23 18.178 5.082 11.395 94 HD1 TRP 23 HD1 TRP 23 19.108 2.510 8.836 95 HE1 TRP 23 HE1 TRP 23 17.021 2.014 7.317 96 HE3 TRP 23 HE3 TRP 23 15.702 5.189 11.382 97 HZ2 TRP 23 HZ2 TRP 23 14.258 2.768 7.323 98 HZ3 TRP 23 HZ3 TRP 23 13.377 5.259 10.602 99 HH2 TRP 23 HH2 TRP 23 12.693 4.053 8.603 100 H LYS 24 HN LYS 24 19.267 6.622 11.904 101 HA LYS 24 HA LYS 24 21.879 7.238 13.080 102 HB2 LYS 24 HB2 LYS 24 19.243 8.603 13.460 103 HB3 LYS 24 HB1 LYS 24 20.837 9.201 13.867 104 HG2 LYS 24 HG2 LYS 24 19.925 8.712 11.046 105 HG3 LYS 24 HG1 LYS 24 19.781 10.250 11.881 106 HD2 LYS 24 HD2 LYS 24 21.735 10.511 10.668 107 HD3 LYS 24 HD1 LYS 24 22.305 10.012 12.264 108 HE2 LYS 24 HE2 LYS 24 22.707 7.757 11.447 109 HE3 LYS 24 HE1 LYS 24 21.982 8.179 9.898 110 HZ1 LYS 24 HZ1 LYS 24 24.486 9.326 11.011 111 HZ2 LYS 24 HZ2 LYS 24 23.785 9.756 9.547 112 HZ3 LYS 24 HZ3 LYS 24 24.373 8.199 9.773 113 H ASP 25 HN ASP 25 21.257 8.269 15.446 114 HA ASP 25 HA ASP 25 21.105 5.820 16.912 115 HB2 ASP 25 HB2 ASP 25 22.356 8.290 17.435 116 HB3 ASP 25 HB1 ASP 25 21.120 8.089 18.669 117 H CYS 26 HN CYS 26 18.959 8.394 16.280 118 HA CYS 26 HA CYS 26 16.902 7.238 18.092 119 HB2 CYS 26 HB2 CYS 26 17.326 10.071 17.290 120 HB3 CYS 26 HB1 CYS 26 16.024 9.492 18.330 121 H ILE 27 HN ILE 27 14.931 7.080 17.348 122 HA ILE 27 HA ILE 27 14.566 7.596 14.493 123 HB ILE 27 HB ILE 27 14.801 5.093 15.118 124 HG12 ILE 27 HG12 ILE 27 12.069 5.531 14.023 125 HG13 ILE 27 HG11 ILE 27 13.415 6.205 13.116 126 HG21 ILE 27 HG21 ILE 27 13.691 5.130 17.176 127 HG22 ILE 27 HG22 ILE 27 12.934 3.990 16.041 128 HG23 ILE 27 HG23 ILE 27 12.170 5.560 16.369 129 HD11 ILE 27 HD11 ILE 27 12.703 3.943 12.375 130 HD12 ILE 27 HD12 ILE 27 13.321 3.294 13.927 131 HD13 ILE 27 HD13 ILE 27 14.376 4.122 12.800 132 H ILE 28 HN ILE 28 12.706 8.561 13.910 133 HA ILE 28 HA ILE 28 11.011 9.466 16.132 134 HB ILE 28 HB ILE 28 11.866 11.014 13.674 135 HG12 ILE 28 HG12 ILE 28 13.810 10.871 15.017 136 HG13 ILE 28 HG11 ILE 28 13.140 12.469 15.290 137 HG21 ILE 28 HG21 ILE 28 9.701 11.727 14.388 138 HG22 ILE 28 HG22 ILE 28 10.883 12.982 14.763 139 HG23 ILE 28 HG23 ILE 28 10.272 11.929 16.043 140 HD11 ILE 28 HD11 ILE 28 13.965 11.508 17.355 141 HD12 ILE 28 HD12 ILE 28 12.970 10.091 17.128 142 HD13 ILE 28 HD13 ILE 28 12.207 11.650 17.457 143 H GLN 29 HN GLN 29 8.878 9.276 15.745 144 HA GLN 29 HA GLN 29 8.096 8.055 13.174 145 HB2 GLN 29 HB2 GLN 29 6.698 7.767 15.810 146 HB3 GLN 29 HB1 GLN 29 6.615 6.727 14.406 147 HG2 GLN 29 HG2 GLN 29 8.917 5.965 14.830 148 HG3 GLN 29 HG1 GLN 29 8.980 7.012 16.240 149 HE21 GLN 29 HE21 GLN 29 9.264 5.428 17.712 150 HE22 GLN 29 HE22 GLN 29 8.039 4.262 18.092 151 H ARG 30 HN ARG 30 6.503 9.153 12.109 152 HA ARG 30 HA ARG 30 5.231 11.368 13.499 153 HB2 ARG 30 HB2 ARG 30 5.836 10.864 10.734 154 HB3 ARG 30 HB1 ARG 30 4.142 11.272 10.901 155 HG2 ARG 30 HG2 ARG 30 4.933 13.243 12.278 156 HG3 ARG 30 HG1 ARG 30 6.542 12.948 11.635 157 HD2 ARG 30 HD2 ARG 30 5.551 14.571 10.217 158 HD3 ARG 30 HD1 ARG 30 5.405 13.047 9.324 159 HE ARG 30 HE ARG 30 3.123 13.335 10.862 160 HH11 ARG 30 HH11 ARG 30 4.562 15.055 8.063 161 HH12 ARG 30 HH12 ARG 30 3.071 15.617 7.538 162 HH21 ARG 30 HH21 ARG 30 1.113 14.265 10.129 163 HH22 ARG 30 HH22 ARG 30 1.081 15.239 8.760 164 H TYR 31 HN TYR 31 3.369 10.839 14.545 165 HA TYR 31 HA TYR 31 1.779 8.608 13.604 166 HB2 TYR 31 HB2 TYR 31 2.066 10.066 16.109 167 HB3 TYR 31 HB1 TYR 31 0.502 9.273 15.820 168 HD1 TYR 31 HD2 TYR 31 4.190 8.737 16.056 169 HD2 TYR 31 HD1 TYR 31 0.320 7.010 16.318 170 HE1 TYR 31 HE2 TYR 31 5.179 6.682 16.936 171 HE2 TYR 31 HE1 TYR 31 1.279 4.952 17.196 172 HH TYR 31 HH TYR 31 4.594 4.695 18.141 173 H LYS 32 HN LYS 32 0.276 9.115 12.201 174 HA LYS 32 HA LYS 32 -0.944 11.735 12.296 175 HB2 LYS 32 HB2 LYS 32 0.825 11.098 10.503 176 HB3 LYS 32 HB1 LYS 32 -0.457 10.018 9.981 177 HG2 LYS 32 HG2 LYS 32 -0.904 12.928 10.169 178 HG3 LYS 32 HG1 LYS 32 -0.096 12.179 8.784 179 HD2 LYS 32 HD2 LYS 32 -1.990 10.745 8.368 180 HD3 LYS 32 HD1 LYS 32 -2.837 11.400 9.769 181 HE2 LYS 32 HE2 LYS 32 -3.015 13.551 8.700 182 HE3 LYS 32 HE1 LYS 32 -2.000 13.008 7.364 183 HZ1 LYS 32 HZ1 LYS 32 -4.587 11.751 8.054 184 HZ2 LYS 32 HZ2 LYS 32 -3.658 11.508 6.658 185 HZ3 LYS 32 HZ3 LYS 32 -4.437 12.980 6.900 186 H ASP 33 HN ASP 33 -3.082 11.528 12.528 187 HA ASP 33 HA ASP 33 -5.129 10.694 12.918 188 HB2 ASP 33 HB2 ASP 33 -4.368 8.805 10.784 189 HB3 ASP 33 HB1 ASP 33 -5.986 8.821 11.471 190 H GLY 34 HN GLY 34 -2.917 9.722 14.459 191 HA2 GLY 34 HA2 GLY 34 -3.015 8.449 16.422 192 HA3 GLY 34 HA1 GLY 34 -4.335 7.541 15.684 193 H ASP 35 HN ASP 35 -2.137 7.405 13.293 194 HA ASP 35 HA ASP 35 -0.807 5.105 14.497 195 HB2 ASP 35 HB2 ASP 35 -2.593 4.260 13.103 196 HB3 ASP 35 HB1 ASP 35 -2.041 5.238 11.732 197 H VAL 36 HN VAL 36 1.072 4.551 13.459 198 HA VAL 36 HA VAL 36 2.574 6.934 12.962 199 HB VAL 36 HB VAL 36 3.642 5.288 14.314 200 HG11 VAL 36 HG11 VAL 36 4.333 3.080 13.472 201 HG12 VAL 36 HG12 VAL 36 3.426 3.403 11.981 202 HG13 VAL 36 HG13 VAL 36 2.583 3.294 13.520 203 HG21 VAL 36 HG21 VAL 36 4.990 5.511 11.641 204 HG22 VAL 36 HG22 VAL 36 5.796 5.077 13.158 205 HG23 VAL 36 HG23 VAL 36 5.060 6.674 12.960 206 H ASN 37 HN ASN 37 2.634 7.860 11.171 207 HA ASN 37 HA ASN 37 1.712 6.637 8.713 208 HB2 ASN 37 HB2 ASN 37 0.837 8.738 9.536 209 HB3 ASN 37 HB1 ASN 37 2.419 9.462 9.342 210 HD21 ASN 37 HD21 ASN 37 0.670 7.231 7.280 211 HD22 ASN 37 HD22 ASN 37 0.597 8.278 5.903 212 H ASN 38 HN ASN 38 4.432 8.720 9.724 213 HA ASN 38 HA ASN 38 6.015 7.596 7.578 214 HB2 ASN 38 HB2 ASN 38 6.052 10.361 8.750 215 HB3 ASN 38 HB1 ASN 38 7.265 9.751 7.629 216 HD21 ASN 38 HD21 ASN 38 5.708 12.071 7.199 217 HD22 ASN 38 HD22 ASN 38 4.677 11.823 5.851 218 H ILE 39 HN ILE 39 8.354 7.611 8.112 219 HA ILE 39 HA ILE 39 8.855 7.637 10.982 220 HB ILE 39 HB ILE 39 8.826 5.316 9.724 221 HG12 ILE 39 HG12 ILE 39 10.800 4.506 10.932 222 HG13 ILE 39 HG11 ILE 39 11.226 6.165 11.345 223 HG21 ILE 39 HG21 ILE 39 11.528 6.319 8.898 224 HG22 ILE 39 HG22 ILE 39 10.165 6.131 7.805 225 HG23 ILE 39 HG23 ILE 39 10.868 4.706 8.610 226 HD11 ILE 39 HD11 ILE 39 8.702 4.733 12.153 227 HD12 ILE 39 HD12 ILE 39 9.157 6.378 12.612 228 HD13 ILE 39 HD13 ILE 39 10.105 5.008 13.180 229 H TYR 40 HN TYR 40 11.051 8.292 11.391 230 HA TYR 40 HA TYR 40 12.644 9.513 9.323 231 HB2 TYR 40 HB2 TYR 40 11.835 11.321 11.696 232 HB3 TYR 40 HB1 TYR 40 12.789 11.679 10.294 233 HD1 TYR 40 HD2 TYR 40 11.879 12.164 8.159 234 HD2 TYR 40 HD1 TYR 40 9.272 11.308 11.415 235 HE1 TYR 40 HE2 TYR 40 9.989 13.031 6.876 236 HE2 TYR 40 HE1 TYR 40 7.384 12.166 10.106 237 HH TYR 40 HH TYR 40 7.119 13.948 7.980 238 H THR 41 HN THR 41 14.740 10.233 10.466 239 HA THR 41 HA THR 41 15.034 9.193 13.090 240 HB THR 41 HB THR 41 15.434 7.150 12.166 241 HG1 THR 41 HG1 THR 41 17.070 7.498 13.515 242 HG21 THR 41 HG21 THR 41 16.859 6.664 10.208 243 HG22 THR 41 HG22 THR 41 17.054 8.398 9.908 244 HG23 THR 41 HG23 THR 41 15.456 7.631 9.833 245 H ALA 42 HN ALA 42 16.868 9.823 14.151 246 HA ALA 42 HA ALA 42 18.457 11.980 13.015 247 HB1 ALA 42 HB1 ALA 42 16.650 12.308 15.404 248 HB2 ALA 42 HB2 ALA 42 16.393 13.067 13.839 249 HB3 ALA 42 HB3 ALA 42 17.801 13.505 14.813 250 H ASN 43 HN ASN 43 20.192 12.442 14.439 251 HA ASN 43 HA ASN 43 20.986 10.234 16.136 252 HB2 ASN 43 HB2 ASN 43 22.233 12.878 15.411 253 HB3 ASN 43 HB1 ASN 43 22.939 11.826 16.632 254 HD21 ASN 43 HD21 ASN 43 23.546 12.789 13.783 255 HD22 ASN 43 HD22 ASN 43 24.113 11.364 13.003 256 H ARG 44 HN ARG 44 21.457 10.455 18.405 257 HA ARG 44 HA ARG 44 19.707 11.993 19.899 258 HB2 ARG 44 HB2 ARG 44 21.528 11.419 21.758 259 HB3 ARG 44 HB1 ARG 44 20.499 10.176 21.030 260 HG2 ARG 44 HG2 ARG 44 22.204 9.398 19.690 261 HG3 ARG 44 HG1 ARG 44 23.246 10.761 20.023 262 HD2 ARG 44 HD2 ARG 44 23.650 10.008 22.219 263 HD3 ARG 44 HD1 ARG 44 22.291 8.873 22.167 264 HE ARG 44 HE ARG 44 23.451 7.555 20.641 265 HH11 ARG 44 HH11 ARG 44 25.544 9.990 22.201 266 HH12 ARG 44 HH12 ARG 44 26.980 9.240 21.717 267 HH21 ARG 44 HH21 ARG 44 25.407 6.574 19.968 268 HH22 ARG 44 HH22 ARG 44 26.915 7.210 20.393 269 H ASN 45 HN ASN 45 19.614 14.012 20.074 270 HA ASN 45 HA ASN 45 19.971 16.169 20.353 271 HB2 ASN 45 HB2 ASN 45 22.921 15.895 20.404 272 HB3 ASN 45 HB1 ASN 45 21.909 17.220 21.000 273 HD21 ASN 45 HD21 ASN 45 23.337 14.191 21.721 274 HD22 ASN 45 HD22 ASN 45 22.896 14.130 23.389 275 H GLU 46 HN GLU 46 19.179 15.841 18.134 276 HA GLU 46 HA GLU 46 20.944 17.200 16.348 277 HB2 GLU 46 HB2 GLU 46 21.389 14.841 15.957 278 HB3 GLU 46 HB1 GLU 46 19.673 14.526 15.752 279 HG2 GLU 46 HG2 GLU 46 19.612 15.785 13.750 280 HG3 GLU 46 HG1 GLU 46 21.244 16.377 14.103 281 H GLU 47 HN GLU 47 19.838 18.764 15.331 282 HA GLU 47 HA GLU 47 16.976 18.781 15.400 283 HB2 GLU 47 HB2 GLU 47 18.875 20.817 14.222 284 HB3 GLU 47 HB1 GLU 47 17.151 21.021 14.428 285 HG2 GLU 47 HG2 GLU 47 18.013 22.232 16.153 286 HG3 GLU 47 HG1 GLU 47 17.620 20.697 16.910 287 H ILE 48 HN ILE 48 15.995 17.681 13.890 288 HA ILE 48 HA ILE 48 17.065 17.522 11.209 289 HB ILE 48 HB ILE 48 15.151 16.007 10.785 290 HG12 ILE 48 HG12 ILE 48 14.552 16.426 13.720 291 HG13 ILE 48 HG11 ILE 48 13.570 16.813 12.314 292 HG21 ILE 48 HG21 ILE 48 16.912 15.110 13.041 293 HG22 ILE 48 HG22 ILE 48 17.220 14.949 11.296 294 HG23 ILE 48 HG23 ILE 48 15.892 14.080 12.046 295 HD11 ILE 48 HD11 ILE 48 12.762 14.822 13.453 296 HD12 ILE 48 HD12 ILE 48 14.314 14.025 13.105 297 HD13 ILE 48 HD13 ILE 48 13.255 14.524 11.781 298 H THR 49 HN THR 49 15.028 17.545 9.635 299 HA THR 49 HA THR 49 13.200 19.625 10.426 300 HB THR 49 HB THR 49 14.097 19.389 7.659 301 HG1 THR 49 HG1 THR 49 15.477 20.584 9.848 302 HG21 THR 49 HG21 THR 49 13.460 21.799 7.584 303 HG22 THR 49 HG22 THR 49 13.060 21.692 9.297 304 HG23 THR 49 HG23 THR 49 12.153 20.737 8.126 305 H ILE 50 HN ILE 50 11.225 19.028 9.994 306 HA ILE 50 HA ILE 50 10.814 16.695 8.288 307 HB ILE 50 HB ILE 50 9.403 17.438 10.863 308 HG12 ILE 50 HG12 ILE 50 10.854 14.929 10.061 309 HG13 ILE 50 HG11 ILE 50 11.552 16.230 11.022 310 HG21 ILE 50 HG21 ILE 50 8.680 15.249 8.917 311 HG22 ILE 50 HG22 ILE 50 7.732 16.696 9.252 312 HG23 ILE 50 HG23 ILE 50 7.966 15.484 10.512 313 HD11 ILE 50 HD11 ILE 50 9.856 15.819 12.748 314 HD12 ILE 50 HD12 ILE 50 10.789 14.357 12.436 315 HD13 ILE 50 HD13 ILE 50 9.162 14.534 11.774 316 H GLU 51 HN GLU 51 10.120 17.846 6.467 317 HA GLU 51 HA GLU 51 8.620 18.889 5.106 318 HB2 GLU 51 HB2 GLU 51 6.815 18.473 7.506 319 HB3 GLU 51 HB1 GLU 51 6.284 18.795 5.843 320 HG2 GLU 51 HG2 GLU 51 7.215 16.884 5.045 321 HG3 GLU 51 HG1 GLU 51 8.099 16.506 6.512 322 H GLU 52 HN GLU 52 10.354 20.417 6.531 323 HA GLU 52 HA GLU 52 10.990 22.457 7.013 324 HB2 GLU 52 HB2 GLU 52 8.416 23.212 5.682 325 HB3 GLU 52 HB1 GLU 52 9.554 24.424 6.257 326 HG2 GLU 52 HG2 GLU 52 10.071 22.313 4.198 327 HG3 GLU 52 HG1 GLU 52 9.965 24.078 4.036 328 H TYR 53 HN TYR 53 9.288 20.886 8.884 329 HA TYR 53 HA TYR 53 8.979 23.013 10.901 330 HB2 TYR 53 HB2 TYR 53 8.157 20.103 11.089 331 HB3 TYR 53 HB1 TYR 53 7.574 21.442 12.054 332 HD1 TYR 53 HD2 TYR 53 6.598 23.336 10.112 333 HD2 TYR 53 HD1 TYR 53 6.379 19.087 9.960 334 HE1 TYR 53 HE2 TYR 53 4.623 23.486 8.648 335 HE2 TYR 53 HE1 TYR 53 4.429 19.231 8.507 336 HH TYR 53 HH TYR 53 3.614 22.059 6.958 337 H LYS 54 HN LYS 54 11.057 23.178 11.810 338 HA LYS 54 HA LYS 54 12.499 20.755 11.786 339 HB2 LYS 54 HB2 LYS 54 14.424 21.896 12.664 340 HB3 LYS 54 HB1 LYS 54 13.768 22.685 11.245 341 HG2 LYS 54 HG2 LYS 54 14.371 24.339 12.399 342 HG3 LYS 54 HG1 LYS 54 12.728 24.275 13.085 343 HD2 LYS 54 HD2 LYS 54 15.287 23.196 14.343 344 HD3 LYS 54 HD1 LYS 54 14.664 24.801 14.664 345 HE2 LYS 54 HE2 LYS 54 13.297 22.195 15.302 346 HE3 LYS 54 HE1 LYS 54 14.136 23.230 16.455 347 HZ1 LYS 54 HZ1 LYS 54 11.703 23.984 14.906 348 HZ2 LYS 54 HZ2 LYS 54 12.510 24.974 15.993 349 HZ3 LYS 54 HZ3 LYS 54 11.754 23.576 16.537 350 H VAL 55 HN VAL 55 13.647 19.975 13.499 351 HA VAL 55 HA VAL 55 12.003 19.823 15.925 352 HB VAL 55 HB VAL 55 12.506 17.454 14.112 353 HG11 VAL 55 HG11 VAL 55 11.242 16.125 15.731 354 HG12 VAL 55 HG12 VAL 55 11.164 17.526 16.803 355 HG13 VAL 55 HG13 VAL 55 12.720 16.790 16.428 356 HG21 VAL 55 HG21 VAL 55 9.929 18.793 14.923 357 HG22 VAL 55 HG22 VAL 55 10.027 17.270 14.052 358 HG23 VAL 55 HG23 VAL 55 10.633 18.755 13.305 359 H PHE 56 HN PHE 56 13.268 19.504 17.653 360 HA PHE 56 HA PHE 56 16.023 18.694 17.178 361 HB2 PHE 56 HB2 PHE 56 15.945 20.794 18.327 362 HB3 PHE 56 HB1 PHE 56 14.675 20.209 19.411 363 HD1 PHE 56 HD2 PHE 56 18.201 19.407 18.445 364 HD2 PHE 56 HD1 PHE 56 15.270 19.571 21.530 365 HE1 PHE 56 HE2 PHE 56 19.881 18.713 20.082 366 HE2 PHE 56 HE1 PHE 56 16.948 18.877 23.167 367 HZ PHE 56 HZ PHE 56 19.271 18.448 22.449 368 H VAL 57 HN VAL 57 16.466 16.673 17.593 369 HA VAL 57 HA VAL 57 14.737 15.209 19.426 370 HB VAL 57 HB VAL 57 16.909 14.199 17.570 371 HG11 VAL 57 HG11 VAL 57 16.610 12.774 19.544 372 HG12 VAL 57 HG12 VAL 57 16.013 11.960 18.102 373 HG13 VAL 57 HG13 VAL 57 14.880 12.694 19.241 374 HG21 VAL 57 HG21 VAL 57 13.911 14.095 17.362 375 HG22 VAL 57 HG22 VAL 57 15.038 13.317 16.255 376 HG23 VAL 57 HG23 VAL 57 14.987 15.084 16.373 377 H ASN 58 HN ASN 58 15.323 15.113 21.386 378 HA ASN 58 HA ASN 58 17.842 15.985 22.338 379 HB2 ASN 58 HB2 ASN 58 15.742 16.367 23.535 380 HB3 ASN 58 HB1 ASN 58 15.514 14.625 23.754 381 HD21 ASN 58 HD21 ASN 58 15.440 14.807 26.008 382 HD22 ASN 58 HD22 ASN 58 16.828 15.230 26.934 383 H GLU 59 HN GLU 59 18.932 14.615 23.948 384 HA GLU 59 HA GLU 59 20.333 12.600 22.638 385 HB2 GLU 59 HB2 GLU 59 21.444 12.214 24.848 386 HB3 GLU 59 HB1 GLU 59 21.425 13.881 24.288 387 HG2 GLU 59 HG2 GLU 59 19.597 14.395 25.728 388 HG3 GLU 59 HG1 GLU 59 19.499 12.729 26.285 389 H ALA 60 HN ALA 60 17.491 12.259 24.517 390 HA ALA 60 HA ALA 60 18.031 9.441 24.858 391 HB1 ALA 60 HB1 ALA 60 15.860 11.093 26.129 392 HB2 ALA 60 HB2 ALA 60 17.378 10.580 26.897 393 HB3 ALA 60 HB3 ALA 60 16.172 9.381 26.423 394 H CYS 61 HN CYS 61 17.200 10.983 22.457 395 HA CYS 61 HA CYS 61 15.974 10.644 20.564 396 HB2 CYS 61 HB2 CYS 61 15.385 8.013 21.879 397 HB3 CYS 61 HB1 CYS 61 15.170 8.400 20.168 398 H HIS 62 HN HIS 62 14.759 12.423 21.591 399 HA HIS 62 HA HIS 62 11.991 11.683 21.402 400 HB2 HIS 62 HB2 HIS 62 12.605 11.651 23.885 401 HB3 HIS 62 HB1 HIS 62 12.894 13.384 23.747 402 HD1 HIS 62 HD1 HIS 62 10.893 14.509 24.844 403 HD2 HIS 62 HD2 HIS 62 9.825 11.241 22.512 404 HE1 HIS 62 HE1 HIS 62 8.388 14.440 24.850 405 HA PRO 63 HA PRO 63 12.569 15.382 18.996 406 HB2 PRO 63 HB2 PRO 63 10.389 15.170 17.532 407 HB3 PRO 63 HB1 PRO 63 11.654 13.922 17.412 408 HG2 PRO 63 HG2 PRO 63 9.073 13.825 18.886 409 HG3 PRO 63 HG1 PRO 63 9.852 12.573 17.893 410 HD2 PRO 63 HD2 PRO 63 9.996 12.677 20.627 411 HD3 PRO 63 HD1 PRO 63 11.163 11.881 19.547 412 H TYR 64 HN TYR 64 12.063 17.426 19.198 413 HA TYR 64 HA TYR 64 9.405 18.180 20.040 414 HB2 TYR 64 HB2 TYR 64 11.953 19.228 21.191 415 HB3 TYR 64 HB1 TYR 64 10.528 20.282 21.068 416 HD1 TYR 64 HD2 TYR 64 8.426 19.597 22.094 417 HD2 TYR 64 HD1 TYR 64 12.064 17.621 22.814 418 HE1 TYR 64 HE2 TYR 64 7.429 18.601 24.122 419 HE2 TYR 64 HE1 TYR 64 11.107 16.569 24.886 420 HH TYR 64 HH TYR 64 9.247 17.062 26.488 421 HA PRO 65 HA PRO 65 8.173 19.788 20.196 422 HB2 PRO 65 HB2 PRO 65 6.033 20.481 18.717 423 HB3 PRO 65 HB1 PRO 65 7.160 21.685 19.384 424 HG2 PRO 65 HG2 PRO 65 6.937 20.652 16.648 425 HG3 PRO 65 HG1 PRO 65 7.361 22.291 17.254 426 HD2 PRO 65 HD2 PRO 65 9.170 20.411 16.311 427 HD3 PRO 65 HD1 PRO 65 9.554 21.800 17.343 428 H VAL 66 HN VAL 66 6.396 18.391 20.543 429 HA VAL 66 HA VAL 66 6.694 15.906 19.135 430 HB VAL 66 HB VAL 66 4.946 16.676 21.485 431 HG11 VAL 66 HG11 VAL 66 5.479 13.939 20.319 432 HG12 VAL 66 HG12 VAL 66 3.945 14.803 20.260 433 HG13 VAL 66 HG13 VAL 66 4.594 14.264 21.809 434 HG21 VAL 66 HG21 VAL 66 7.327 16.745 21.951 435 HG22 VAL 66 HG22 VAL 66 7.534 15.144 21.280 436 HG23 VAL 66 HG23 VAL 66 6.616 15.354 22.773 437 H ILE 67 HN ILE 67 4.213 18.406 19.508 438 HA ILE 67 HA ILE 67 2.794 16.994 17.431 439 HB ILE 67 HB ILE 67 1.775 19.300 19.081 440 HG12 ILE 67 HG12 ILE 67 1.620 17.330 20.371 441 HG13 ILE 67 HG11 ILE 67 0.029 17.711 19.608 442 HG21 ILE 67 HG21 ILE 67 -0.369 18.979 17.922 443 HG22 ILE 67 HG22 ILE 67 0.393 17.786 16.870 444 HG23 ILE 67 HG23 ILE 67 0.911 19.470 16.813 445 HD11 ILE 67 HD11 ILE 67 0.473 15.315 19.640 446 HD12 ILE 67 HD12 ILE 67 1.937 15.598 18.715 447 HD13 ILE 67 HD13 ILE 67 0.361 15.962 17.998 448 H LEU 68 HN LEU 68 2.864 17.524 15.641 449 HA LEU 68 HA LEU 68 4.322 19.916 14.768 450 HB2 LEU 68 HB2 LEU 68 3.239 17.589 13.185 451 HB3 LEU 68 HB1 LEU 68 3.996 18.972 12.434 452 HG LEU 68 HG LEU 68 5.284 16.927 14.224 453 HD11 LEU 68 HD11 LEU 68 6.655 16.541 12.233 454 HD12 LEU 68 HD12 LEU 68 5.699 17.758 11.377 455 HD13 LEU 68 HD13 LEU 68 4.930 16.268 11.926 456 HD21 LEU 68 HD21 LEU 68 6.475 19.468 13.100 457 HD22 LEU 68 HD22 LEU 68 7.384 18.169 13.869 458 HD23 LEU 68 HD23 LEU 68 6.222 19.101 14.810 459 HA PRO 69 HA PRO 69 0.833 22.395 13.770 460 HB2 PRO 69 HB2 PRO 69 1.592 22.799 11.000 461 HB3 PRO 69 HB1 PRO 69 1.547 23.993 12.317 462 HG2 PRO 69 HG2 PRO 69 3.900 23.253 11.366 463 HG3 PRO 69 HG1 PRO 69 3.634 23.433 13.121 464 HD2 PRO 69 HD2 PRO 69 3.596 20.932 11.498 465 HD3 PRO 69 HD1 PRO 69 4.511 21.212 12.982 466 H ASP 70 HN ASP 70 1.482 19.731 11.924 467 HA ASP 70 HA ASP 70 -1.042 19.726 10.532 468 HB2 ASP 70 HB2 ASP 70 1.115 19.027 9.401 469 HB3 ASP 70 HB1 ASP 70 1.118 17.597 10.421 470 H ARG 71 HN ARG 71 -0.257 19.228 13.536 471 HA ARG 71 HA ARG 71 -1.319 18.447 15.358 472 HB2 ARG 71 HB2 ARG 71 -3.297 18.942 13.786 473 HB3 ARG 71 HB1 ARG 71 -3.307 17.230 13.451 474 HG2 ARG 71 HG2 ARG 71 -5.001 17.467 15.011 475 HG3 ARG 71 HG1 ARG 71 -3.634 17.001 16.021 476 HD2 ARG 71 HD2 ARG 71 -4.480 19.854 15.541 477 HD3 ARG 71 HD1 ARG 71 -5.050 18.889 16.887 478 HE ARG 71 HE ARG 71 -2.717 18.777 17.615 479 HH11 ARG 71 HH11 ARG 71 -3.538 21.427 15.369 480 HH12 ARG 71 HH12 ARG 71 -2.494 22.534 16.132 481 HH21 ARG 71 HH21 ARG 71 -1.342 20.351 18.633 482 HH22 ARG 71 HH22 ARG 71 -1.178 21.910 17.960 483 H SER 72 HN SER 72 0.363 16.685 13.384 484 HA SER 72 HA SER 72 -0.287 14.043 14.262 485 HB2 SER 72 HB2 SER 72 2.110 15.036 12.719 486 HB3 SER 72 HB1 SER 72 1.523 13.364 12.858 487 HG SER 72 HG SER 72 -0.488 14.901 12.069 488 H VAL 73 HN VAL 73 1.011 12.769 15.376 489 HA VAL 73 HA VAL 73 2.319 13.926 17.712 490 HB VAL 73 HB VAL 73 0.985 11.360 16.962 491 HG11 VAL 73 HG11 VAL 73 3.130 10.581 17.825 492 HG12 VAL 73 HG12 VAL 73 1.803 10.156 18.879 493 HG13 VAL 73 HG13 VAL 73 2.892 11.499 19.319 494 HG21 VAL 73 HG21 VAL 73 0.870 13.060 19.424 495 HG22 VAL 73 HG22 VAL 73 -0.101 11.620 19.107 496 HG23 VAL 73 HG23 VAL 73 -0.279 13.050 18.082 497 H LEU 74 HN LEU 74 4.518 13.886 17.883 498 HA LEU 74 HA LEU 74 5.869 11.980 16.177 499 HB2 LEU 74 HB2 LEU 74 6.779 14.620 17.215 500 HB3 LEU 74 HB1 LEU 74 7.935 13.301 17.077 501 HG LEU 74 HG LEU 74 7.726 13.158 14.785 502 HD11 LEU 74 HD11 LEU 74 5.356 14.988 15.020 503 HD12 LEU 74 HD12 LEU 74 5.365 13.275 14.585 504 HD13 LEU 74 HD13 LEU 74 6.108 14.457 13.500 505 HD21 LEU 74 HD21 LEU 74 7.644 16.066 15.583 506 HD22 LEU 74 HD22 LEU 74 8.227 15.448 14.039 507 HD23 LEU 74 HD23 LEU 74 9.072 15.030 15.531 508 H SER 75 HN SER 75 6.714 10.366 16.892 509 HA SER 75 HA SER 75 7.170 10.122 19.815 510 HB2 SER 75 HB2 SER 75 5.517 8.478 18.865 511 HB3 SER 75 HB1 SER 75 6.801 7.858 17.829 512 HG SER 75 HG SER 75 6.694 6.569 19.603 513 H GLY 76 HN GLY 76 9.120 9.302 20.514 514 HA2 GLY 76 HA2 GLY 76 11.178 9.060 18.432 515 HA3 GLY 76 HA1 GLY 76 11.448 10.044 19.881 516 H ASP 77 HN ASP 77 12.588 7.442 18.755 517 HA ASP 77 HA ASP 77 12.974 6.301 21.419 518 HB2 ASP 77 HB2 ASP 77 10.941 5.145 20.125 519 HB3 ASP 77 HB1 ASP 77 12.253 4.394 19.222 520 H PHE 78 HN PHE 78 14.577 4.445 21.005 521 HA PHE 78 HA PHE 78 16.748 5.687 19.492 522 HB2 PHE 78 HB2 PHE 78 16.635 3.267 21.212 523 HB3 PHE 78 HB1 PHE 78 18.120 3.848 20.470 524 HD1 PHE 78 HD2 PHE 78 15.446 4.874 22.936 525 HD2 PHE 78 HD1 PHE 78 19.498 5.359 21.646 526 HE1 PHE 78 HE2 PHE 78 15.915 6.257 24.888 527 HE2 PHE 78 HE1 PHE 78 19.949 6.739 23.609 528 HZ PHE 78 HZ PHE 78 18.161 7.195 25.235 529 H THR 79 HN THR 79 17.455 4.849 17.526 530 HA THR 79 HA THR 79 15.735 3.164 16.038 531 HB THR 79 HB THR 79 18.516 3.538 15.244 532 HG1 THR 79 HG1 THR 79 18.337 5.618 15.089 533 HG21 THR 79 HG21 THR 79 15.872 3.882 13.953 534 HG22 THR 79 HG22 THR 79 17.029 2.546 13.714 535 HG23 THR 79 HG23 THR 79 17.418 4.196 13.171 536 H SER 80 HN SER 80 18.398 2.545 18.119 537 HA SER 80 HA SER 80 19.450 0.217 16.947 538 HB2 SER 80 HB2 SER 80 20.286 0.044 19.432 539 HB3 SER 80 HB1 SER 80 20.906 1.325 18.377 540 HG SER 80 HG SER 80 20.255 2.401 20.138 541 H ALA 81 HN ALA 81 16.782 0.887 19.031 542 HA ALA 81 HA ALA 81 16.279 -1.938 19.348 543 HB1 ALA 81 HB1 ALA 81 15.170 0.409 20.907 544 HB2 ALA 81 HB2 ALA 81 16.428 -0.688 21.468 545 HB3 ALA 81 HB3 ALA 81 14.783 -1.281 21.224 546 H TYR 82 HN TYR 82 15.793 -0.230 17.055 547 HA TYR 82 HA TYR 82 12.943 -0.622 16.871 548 HB2 TYR 82 HB2 TYR 82 14.202 1.905 16.882 549 HB3 TYR 82 HB1 TYR 82 13.346 1.679 15.346 550 HD1 TYR 82 HD2 TYR 82 12.921 1.280 19.002 551 HD2 TYR 82 HD1 TYR 82 11.086 2.012 15.260 552 HE1 TYR 82 HE2 TYR 82 10.807 1.660 20.145 553 HE2 TYR 82 HE1 TYR 82 8.940 2.391 16.360 554 HH TYR 82 HH TYR 82 8.693 2.730 19.799 555 H ALA 83 HN ALA 83 15.471 0.560 14.584 556 HA ALA 83 HA ALA 83 13.949 -0.777 12.581 557 HB1 ALA 83 HB1 ALA 83 15.398 0.244 10.933 558 HB2 ALA 83 HB2 ALA 83 16.491 0.781 12.211 559 HB3 ALA 83 HB3 ALA 83 14.860 1.450 12.108 560 H ASP 84 HN ASP 84 16.197 -1.628 14.631 561 HA ASP 84 HA ASP 84 17.262 -3.561 15.121 562 HB2 ASP 84 HB2 ASP 84 15.287 -4.694 14.162 563 HB3 ASP 84 HB1 ASP 84 16.025 -4.610 12.571 564 H ASP 85 HN ASP 85 18.260 -1.403 13.384 565 HA ASP 85 HA ASP 85 20.296 -2.187 11.642 566 HB2 ASP 85 HB2 ASP 85 20.553 -0.049 13.764 567 HB3 ASP 85 HB1 ASP 85 21.396 -0.138 12.225 568 H ASP 86 HN ASP 86 22.574 -2.482 12.131 569 HA ASP 86 HA ASP 86 22.953 -3.864 14.647 570 HB2 ASP 86 HB2 ASP 86 23.972 -4.820 12.576 571 HB3 ASP 86 HB1 ASP 86 25.030 -3.417 12.485 572 H GLU 87 HN GLU 87 22.500 -2.156 15.816 573 HA GLU 87 HA GLU 87 22.756 -0.428 17.217 574 HB2 GLU 87 HB2 GLU 87 24.781 -1.885 17.781 575 HB3 GLU 87 HB1 GLU 87 25.656 -0.680 16.820 576 HG2 GLU 87 HG2 GLU 87 25.268 1.026 18.356 577 HG3 GLU 87 HG1 GLU 87 23.957 0.148 19.139 578 H SER 88 HN SER 88 22.286 0.087 14.618 579 HA SER 88 HA SER 88 21.946 1.718 13.181 580 HB2 SER 88 HB2 SER 88 23.316 3.512 15.196 581 HB3 SER 88 HB1 SER 88 22.336 4.053 13.833 582 HG SER 88 HG SER 88 20.707 3.829 15.044 583 H CYS 89 HN CYS 89 25.093 2.777 14.398 584 HA CYS 89 HA CYS 89 26.294 2.161 11.844 585 HB2 CYS 89 HB2 CYS 89 27.254 4.538 11.840 586 HB3 CYS 89 HB1 CYS 89 25.560 4.359 11.384 587 HG CYS 89 HG CYS 89 26.661 5.284 14.458 Start of MODEL 5 1 H GLY 11 HT1 GLY 11 6.197 13.851 5.259 2 HA2 GLY 11 HA1 GLY 11 7.081 13.166 2.537 3 HA3 GLY 11 HA2 GLY 11 7.577 14.550 3.516 4 H ARG 12 HN ARG 12 9.389 12.846 2.509 5 HA ARG 12 HA ARG 12 11.083 11.527 2.844 6 HB2 ARG 12 HB2 ARG 12 11.776 13.066 4.593 7 HB3 ARG 12 HB1 ARG 12 10.784 12.211 5.770 8 HG2 ARG 12 HG2 ARG 12 12.173 10.234 5.550 9 HG3 ARG 12 HG1 ARG 12 13.132 11.019 4.302 10 HD2 ARG 12 HD2 ARG 12 12.869 11.990 7.140 11 HD3 ARG 12 HD1 ARG 12 14.192 10.996 6.545 12 HE ARG 12 HE ARG 12 14.737 12.817 5.033 13 HH11 ARG 12 HH11 ARG 12 12.800 13.637 7.846 14 HH12 ARG 12 HH12 ARG 12 13.295 15.263 7.929 15 HH21 ARG 12 HH21 ARG 12 15.528 15.035 5.193 16 HH22 ARG 12 HH22 ARG 12 14.962 16.038 6.443 17 H GLU 13 HN GLU 13 10.011 9.853 2.012 18 HA GLU 13 HA GLU 13 9.403 7.708 3.936 19 HB2 GLU 13 HB2 GLU 13 7.689 8.229 2.108 20 HB3 GLU 13 HB1 GLU 13 8.909 7.761 0.934 21 HG2 GLU 13 HG2 GLU 13 8.994 5.521 2.104 22 HG3 GLU 13 HG1 GLU 13 7.560 6.031 2.986 23 H ASN 14 HN ASN 14 11.396 6.763 4.351 24 HA ASN 14 HA ASN 14 13.334 6.742 2.243 25 HB2 ASN 14 HB2 ASN 14 14.810 5.492 3.755 26 HB3 ASN 14 HB1 ASN 14 14.273 7.009 4.434 27 HD21 ASN 14 HD21 ASN 14 15.358 4.627 5.728 28 HD22 ASN 14 HD22 ASN 14 14.164 4.086 6.855 29 H LEU 15 HN LEU 15 14.184 4.992 1.322 30 HA LEU 15 HA LEU 15 12.187 2.965 0.771 31 HB2 LEU 15 HB2 LEU 15 14.984 3.215 -0.321 32 HB3 LEU 15 HB1 LEU 15 13.812 2.027 -0.837 33 HG LEU 15 HG LEU 15 13.616 5.013 -1.223 34 HD11 LEU 15 HD11 LEU 15 14.041 2.740 -3.143 35 HD12 LEU 15 HD12 LEU 15 15.229 3.959 -2.679 36 HD13 LEU 15 HD13 LEU 15 13.792 4.425 -3.593 37 HD21 LEU 15 HD21 LEU 15 11.393 4.072 -0.861 38 HD22 LEU 15 HD22 LEU 15 11.713 2.825 -2.066 39 HD23 LEU 15 HD23 LEU 15 11.611 4.516 -2.553 40 H TYR 16 HN TYR 16 12.677 0.673 0.797 41 HA TYR 16 HA TYR 16 13.728 0.119 3.416 42 HB2 TYR 16 HB2 TYR 16 11.518 -0.745 2.812 43 HB3 TYR 16 HB1 TYR 16 12.216 -1.618 1.461 44 HD1 TYR 16 HD1 TYR 16 12.890 -1.344 5.146 45 HD2 TYR 16 HD2 TYR 16 12.303 -3.873 1.778 46 HE1 TYR 16 HE1 TYR 16 13.133 -3.322 6.590 47 HE2 TYR 16 HE2 TYR 16 12.548 -5.842 3.205 48 HH TYR 16 HH TYR 16 12.525 -5.639 6.615 49 H PHE 17 HN PHE 17 15.839 0.583 2.836 50 HA PHE 17 HA PHE 17 17.242 -1.197 1.039 51 HB2 PHE 17 HB2 PHE 17 18.385 0.813 2.992 52 HB3 PHE 17 HB1 PHE 17 19.282 -0.024 1.739 53 HD1 PHE 17 HD1 PHE 17 18.402 0.368 -0.705 54 HD2 PHE 17 HD2 PHE 17 17.588 2.923 2.600 55 HE1 PHE 17 HE1 PHE 17 17.953 2.226 -2.253 56 HE2 PHE 17 HE2 PHE 17 17.134 4.783 1.057 57 HZ PHE 17 HZ PHE 17 17.319 4.436 -1.373 58 H GLN 18 HN GLN 18 16.970 -3.199 1.854 59 HA GLN 18 HA GLN 18 17.652 -3.703 4.587 60 HB2 GLN 18 HB2 GLN 18 17.088 -6.097 4.036 61 HB3 GLN 18 HB1 GLN 18 15.783 -4.935 3.931 62 HG2 GLN 18 HG2 GLN 18 15.484 -6.366 2.119 63 HG3 GLN 18 HG1 GLN 18 16.205 -4.926 1.429 64 HE21 GLN 18 HE21 GLN 18 18.303 -5.074 0.533 65 HE22 GLN 18 HE22 GLN 18 19.049 -6.596 0.250 66 H GLY 19 HN GLY 19 19.081 -5.578 5.132 67 HA2 GLY 19 HA2 GLY 19 21.108 -6.731 4.769 68 HA3 GLY 19 HA1 GLY 19 21.428 -5.679 3.384 69 H HIS 20 HN HIS 20 21.928 -3.460 3.786 70 HA HIS 20 HA HIS 20 22.919 -3.006 6.492 71 HB2 HIS 20 HB2 HIS 20 24.347 -2.406 3.915 72 HB3 HIS 20 HB1 HIS 20 24.693 -1.490 5.375 73 HD1 HIS 20 HD1 HIS 20 26.303 -2.532 7.006 74 HD2 HIS 20 HD2 HIS 20 24.939 -5.222 4.151 75 HE1 HIS 20 HE1 HIS 20 27.687 -4.627 7.294 76 H MET 21 HN MET 21 21.455 -1.803 7.311 77 HA MET 21 HA MET 21 20.718 0.640 5.878 78 HB2 MET 21 HB2 MET 21 18.621 0.657 7.222 79 HB3 MET 21 HB1 MET 21 18.709 -0.654 6.052 80 HG2 MET 21 HG2 MET 21 19.221 -2.216 7.838 81 HG3 MET 21 HG1 MET 21 19.266 -0.898 9.005 82 HE1 MET 21 HE1 MET 21 17.025 -3.160 6.720 83 HE2 MET 21 HE2 MET 21 16.688 -1.565 6.043 84 HE3 MET 21 HE3 MET 21 15.431 -2.433 6.924 85 H ALA 22 HN ALA 22 22.074 2.097 6.672 86 HA ALA 22 HA ALA 22 22.608 2.154 9.506 87 HB1 ALA 22 HB1 ALA 22 23.550 4.019 7.325 88 HB2 ALA 22 HB2 ALA 22 24.445 2.640 7.971 89 HB3 ALA 22 HB3 ALA 22 24.099 4.026 9.000 90 H TRP 23 HN TRP 23 20.932 2.784 10.610 91 HA TRP 23 HA TRP 23 19.479 5.163 9.824 92 HB2 TRP 23 HB2 TRP 23 18.993 3.116 12.046 93 HB3 TRP 23 HB1 TRP 23 18.089 4.614 11.818 94 HD1 TRP 23 HD1 TRP 23 19.080 1.964 9.343 95 HE1 TRP 23 HE1 TRP 23 16.924 1.280 7.982 96 HE3 TRP 23 HE3 TRP 23 15.768 4.805 11.784 97 HZ2 TRP 23 HZ2 TRP 23 14.152 1.989 8.046 98 HZ3 TRP 23 HZ3 TRP 23 13.396 4.759 11.124 99 HH2 TRP 23 HH2 TRP 23 12.635 3.358 9.286 100 H LYS 24 HN LYS 24 18.957 6.425 12.155 101 HA LYS 24 HA LYS 24 21.655 7.116 13.039 102 HB2 LYS 24 HB2 LYS 24 19.110 8.709 13.176 103 HB3 LYS 24 HB1 LYS 24 20.701 9.213 13.711 104 HG2 LYS 24 HG2 LYS 24 21.616 9.124 11.518 105 HG3 LYS 24 HG1 LYS 24 20.102 8.472 10.869 106 HD2 LYS 24 HD2 LYS 24 18.992 10.537 11.383 107 HD3 LYS 24 HD1 LYS 24 20.470 11.171 12.126 108 HE2 LYS 24 HE2 LYS 24 20.182 12.041 9.844 109 HE3 LYS 24 HE1 LYS 24 21.618 11.032 9.974 110 HZ1 LYS 24 HZ1 LYS 24 19.006 10.228 8.781 111 HZ2 LYS 24 HZ2 LYS 24 20.285 9.184 8.999 112 HZ3 LYS 24 HZ3 LYS 24 20.449 10.479 7.956 113 H ASP 25 HN ASP 25 21.070 8.343 15.285 114 HA ASP 25 HA ASP 25 21.017 5.987 16.885 115 HB2 ASP 25 HB2 ASP 25 22.064 8.594 17.223 116 HB3 ASP 25 HB1 ASP 25 21.264 8.085 18.719 117 H CYS 26 HN CYS 26 18.781 8.420 16.252 118 HA CYS 26 HA CYS 26 16.897 7.276 18.225 119 HB2 CYS 26 HB2 CYS 26 17.168 10.121 17.362 120 HB3 CYS 26 HB1 CYS 26 15.996 9.521 18.532 121 H ILE 27 HN ILE 27 14.903 7.015 17.531 122 HA ILE 27 HA ILE 27 14.522 7.433 14.666 123 HB ILE 27 HB ILE 27 14.841 5.067 15.377 124 HG12 ILE 27 HG12 ILE 27 12.031 5.326 14.383 125 HG13 ILE 27 HG11 ILE 27 13.368 5.869 13.372 126 HG21 ILE 27 HG21 ILE 27 13.033 3.879 16.486 127 HG22 ILE 27 HG22 ILE 27 12.221 5.423 16.769 128 HG23 ILE 27 HG23 ILE 27 13.790 5.100 17.521 129 HD11 ILE 27 HD11 ILE 27 12.633 3.524 12.951 130 HD12 ILE 27 HD12 ILE 27 13.298 3.119 14.574 131 HD13 ILE 27 HD13 ILE 27 14.320 3.781 13.315 132 H ILE 28 HN ILE 28 12.654 8.367 14.002 133 HA ILE 28 HA ILE 28 10.942 9.283 16.182 134 HB ILE 28 HB ILE 28 11.873 10.952 13.837 135 HG12 ILE 28 HG12 ILE 28 13.783 10.682 15.272 136 HG13 ILE 28 HG11 ILE 28 13.154 12.306 15.475 137 HG21 ILE 28 HG21 ILE 28 9.714 11.644 14.529 138 HG22 ILE 28 HG22 ILE 28 10.880 12.856 15.066 139 HG23 ILE 28 HG23 ILE 28 10.215 11.689 16.214 140 HD11 ILE 28 HD11 ILE 28 12.783 9.995 17.365 141 HD12 ILE 28 HD12 ILE 28 12.140 11.620 17.615 142 HD13 ILE 28 HD13 ILE 28 13.884 11.345 17.582 143 H GLN 29 HN GLN 29 8.918 8.601 15.688 144 HA GLN 29 HA GLN 29 8.230 8.142 12.868 145 HB2 GLN 29 HB2 GLN 29 7.029 7.077 15.413 146 HB3 GLN 29 HB1 GLN 29 6.400 6.762 13.817 147 HG2 GLN 29 HG2 GLN 29 8.557 5.603 13.263 148 HG3 GLN 29 HG1 GLN 29 9.068 5.908 14.915 149 HE21 GLN 29 HE21 GLN 29 8.474 3.332 13.447 150 HE22 GLN 29 HE22 GLN 29 7.319 2.552 14.472 151 H ARG 30 HN ARG 30 6.495 9.190 11.961 152 HA ARG 30 HA ARG 30 5.225 11.260 13.578 153 HB2 ARG 30 HB2 ARG 30 5.654 10.930 10.714 154 HB3 ARG 30 HB1 ARG 30 4.091 11.576 11.089 155 HG2 ARG 30 HG2 ARG 30 5.258 13.312 12.461 156 HG3 ARG 30 HG1 ARG 30 6.773 12.762 11.749 157 HD2 ARG 30 HD2 ARG 30 6.049 14.583 10.395 158 HD3 ARG 30 HD1 ARG 30 5.604 13.133 9.485 159 HE ARG 30 HE ARG 30 3.504 14.023 11.155 160 HH11 ARG 30 HH11 ARG 30 5.005 14.840 7.931 161 HH12 ARG 30 HH12 ARG 30 3.593 15.584 7.437 162 HH21 ARG 30 HH21 ARG 30 1.652 15.251 10.312 163 HH22 ARG 30 HH22 ARG 30 1.726 15.836 8.744 164 H TYR 31 HN TYR 31 3.386 10.714 14.529 165 HA TYR 31 HA TYR 31 1.610 8.762 13.316 166 HB2 TYR 31 HB2 TYR 31 1.851 9.946 15.990 167 HB3 TYR 31 HB1 TYR 31 0.309 9.188 15.534 168 HD1 TYR 31 HD1 TYR 31 3.950 8.678 15.853 169 HD2 TYR 31 HD2 TYR 31 0.117 6.871 15.833 170 HE1 TYR 31 HE1 TYR 31 4.963 6.583 16.583 171 HE2 TYR 31 HE2 TYR 31 1.091 4.761 16.556 172 HH TYR 31 HH TYR 31 4.390 4.529 17.619 173 H LYS 32 HN LYS 32 0.102 9.478 12.084 174 HA LYS 32 HA LYS 32 -1.064 12.032 12.551 175 HB2 LYS 32 HB2 LYS 32 0.637 12.827 11.343 176 HB3 LYS 32 HB1 LYS 32 0.727 11.392 10.365 177 HG2 LYS 32 HG2 LYS 32 0.096 13.630 9.471 178 HG3 LYS 32 HG1 LYS 32 -0.770 12.181 8.858 179 HD2 LYS 32 HD2 LYS 32 -2.327 14.028 9.086 180 HD3 LYS 32 HD1 LYS 32 -2.652 12.880 10.366 181 HE2 LYS 32 HE2 LYS 32 -1.512 14.312 11.962 182 HE3 LYS 32 HE1 LYS 32 -1.075 15.428 10.666 183 HZ1 LYS 32 HZ1 LYS 32 -3.075 16.153 11.907 184 HZ2 LYS 32 HZ2 LYS 32 -3.888 14.756 11.347 185 HZ3 LYS 32 HZ3 LYS 32 -3.342 15.906 10.273 186 H ASP 33 HN ASP 33 -3.000 11.765 12.632 187 HA ASP 33 HA ASP 33 -4.987 11.051 12.495 188 HB2 ASP 33 HB2 ASP 33 -4.265 11.220 9.715 189 HB3 ASP 33 HB1 ASP 33 -5.818 10.436 10.046 190 H GLY 34 HN GLY 34 -3.851 9.340 13.723 191 HA2 GLY 34 HA2 GLY 34 -4.822 7.503 14.689 192 HA3 GLY 34 HA1 GLY 34 -5.502 7.067 13.114 193 H ASP 35 HN ASP 35 -2.254 7.565 12.530 194 HA ASP 35 HA ASP 35 -1.180 5.160 13.746 195 HB2 ASP 35 HB2 ASP 35 -2.711 4.550 11.631 196 HB3 ASP 35 HB1 ASP 35 -1.258 5.032 10.769 197 H VAL 36 HN VAL 36 0.802 4.694 12.681 198 HA VAL 36 HA VAL 36 2.314 7.146 12.535 199 HB VAL 36 HB VAL 36 3.449 5.430 13.779 200 HG11 VAL 36 HG11 VAL 36 4.156 3.289 12.840 201 HG12 VAL 36 HG12 VAL 36 3.318 3.680 11.336 202 HG13 VAL 36 HG13 VAL 36 2.397 3.451 12.819 203 HG21 VAL 36 HG21 VAL 36 4.776 5.748 11.104 204 HG22 VAL 36 HG22 VAL 36 5.580 5.268 12.599 205 HG23 VAL 36 HG23 VAL 36 4.860 6.880 12.450 206 H ASN 37 HN ASN 37 2.596 8.172 10.804 207 HA ASN 37 HA ASN 37 1.707 7.062 8.260 208 HB2 ASN 37 HB2 ASN 37 0.762 9.113 9.201 209 HB3 ASN 37 HB1 ASN 37 2.359 9.836 9.007 210 HD21 ASN 37 HD21 ASN 37 1.443 11.446 7.568 211 HD22 ASN 37 HD22 ASN 37 1.061 11.000 5.948 212 H ASN 38 HN ASN 38 4.393 9.030 9.564 213 HA ASN 38 HA ASN 38 5.965 8.161 7.296 214 HB2 ASN 38 HB2 ASN 38 6.166 10.738 8.822 215 HB3 ASN 38 HB1 ASN 38 7.216 10.245 7.494 216 HD21 ASN 38 HD21 ASN 38 5.725 12.646 7.635 217 HD22 ASN 38 HD22 ASN 38 4.508 12.613 6.404 218 H ILE 39 HN ILE 39 8.254 7.971 7.734 219 HA ILE 39 HA ILE 39 8.871 7.335 10.523 220 HB ILE 39 HB ILE 39 9.456 5.732 8.027 221 HG12 ILE 39 HG12 ILE 39 8.698 3.783 9.472 222 HG13 ILE 39 HG11 ILE 39 8.181 4.968 10.652 223 HG21 ILE 39 HG21 ILE 39 11.589 5.845 9.099 224 HG22 ILE 39 HG22 ILE 39 10.896 4.240 9.285 225 HG23 ILE 39 HG23 ILE 39 10.885 5.354 10.645 226 HD11 ILE 39 HD11 ILE 39 7.123 4.668 7.848 227 HD12 ILE 39 HD12 ILE 39 6.586 5.865 9.032 228 HD13 ILE 39 HD13 ILE 39 6.328 4.147 9.335 229 H TYR 40 HN TYR 40 10.675 8.356 11.283 230 HA TYR 40 HA TYR 40 12.643 9.391 9.370 231 HB2 TYR 40 HB2 TYR 40 11.776 10.935 11.860 232 HB3 TYR 40 HB1 TYR 40 12.792 11.436 10.534 233 HD1 TYR 40 HD2 TYR 40 9.238 10.616 11.338 234 HD2 TYR 40 HD1 TYR 40 11.967 12.531 8.719 235 HE1 TYR 40 HE2 TYR 40 7.397 11.656 10.178 236 HE2 TYR 40 HE1 TYR 40 10.086 13.593 7.527 237 HH TYR 40 HH TYR 40 7.790 13.337 7.203 238 H THR 41 HN THR 41 14.651 9.962 10.618 239 HA THR 41 HA THR 41 14.927 8.949 13.210 240 HB THR 41 HB THR 41 15.253 6.882 12.411 241 HG1 THR 41 HG1 THR 41 16.930 7.373 13.740 242 HG21 THR 41 HG21 THR 41 16.901 7.892 10.069 243 HG22 THR 41 HG22 THR 41 15.276 7.160 10.054 244 HG23 THR 41 HG23 THR 41 16.648 6.195 10.493 245 H ALA 42 HN ALA 42 16.650 9.749 14.231 246 HA ALA 42 HA ALA 42 18.265 11.804 12.887 247 HB1 ALA 42 HB1 ALA 42 17.650 13.439 14.599 248 HB2 ALA 42 HB2 ALA 42 16.534 12.276 15.309 249 HB3 ALA 42 HB3 ALA 42 16.220 12.922 13.698 250 H ASN 43 HN ASN 43 20.125 12.257 14.094 251 HA ASN 43 HA ASN 43 20.948 10.214 15.954 252 HB2 ASN 43 HB2 ASN 43 22.259 12.730 14.952 253 HB3 ASN 43 HB1 ASN 43 22.993 11.753 16.219 254 HD21 ASN 43 HD21 ASN 43 23.681 12.387 13.362 255 HD22 ASN 43 HD22 ASN 43 23.982 10.840 12.643 256 H ARG 44 HN ARG 44 21.678 10.602 18.161 257 HA ARG 44 HA ARG 44 19.996 12.155 19.682 258 HB2 ARG 44 HB2 ARG 44 22.061 11.800 21.379 259 HB3 ARG 44 HB1 ARG 44 20.857 10.583 20.962 260 HG2 ARG 44 HG2 ARG 44 22.358 9.521 19.476 261 HG3 ARG 44 HG1 ARG 44 23.561 10.778 19.665 262 HD2 ARG 44 HD2 ARG 44 23.977 10.156 21.909 263 HD3 ARG 44 HD1 ARG 44 22.525 9.151 21.986 264 HE ARG 44 HE ARG 44 23.722 7.838 20.154 265 HH11 ARG 44 HH11 ARG 44 25.352 9.169 22.993 266 HH12 ARG 44 HH12 ARG 44 26.651 8.049 22.882 267 HH21 ARG 44 HH21 ARG 44 25.380 6.346 20.077 268 HH22 ARG 44 HH22 ARG 44 26.663 6.395 21.194 269 H ASN 45 HN ASN 45 19.803 14.164 19.836 270 HA ASN 45 HA ASN 45 20.109 16.346 20.036 271 HB2 ASN 45 HB2 ASN 45 23.036 15.851 20.130 272 HB3 ASN 45 HB1 ASN 45 22.194 17.397 20.402 273 HD21 ASN 45 HD21 ASN 45 23.881 15.442 22.031 274 HD22 ASN 45 HD22 ASN 45 23.019 15.341 23.537 275 H GLU 46 HN GLU 46 19.268 15.896 17.842 276 HA GLU 46 HA GLU 46 20.885 17.294 15.950 277 HB2 GLU 46 HB2 GLU 46 21.390 14.913 15.625 278 HB3 GLU 46 HB1 GLU 46 19.676 14.560 15.495 279 HG2 GLU 46 HG2 GLU 46 19.514 15.798 13.472 280 HG3 GLU 46 HG1 GLU 46 21.163 16.387 13.733 281 H GLU 47 HN GLU 47 19.605 18.530 14.640 282 HA GLU 47 HA GLU 47 16.775 18.357 15.190 283 HB2 GLU 47 HB2 GLU 47 17.803 20.398 15.997 284 HB3 GLU 47 HB1 GLU 47 18.463 20.736 14.404 285 HG2 GLU 47 HG2 GLU 47 16.295 21.219 13.548 286 HG3 GLU 47 HG1 GLU 47 15.523 20.627 15.022 287 H ILE 48 HN ILE 48 15.759 17.388 13.676 288 HA ILE 48 HA ILE 48 16.731 17.310 10.971 289 HB ILE 48 HB ILE 48 14.832 15.766 10.575 290 HG12 ILE 48 HG12 ILE 48 14.306 16.139 13.535 291 HG13 ILE 48 HG11 ILE 48 13.272 16.576 12.181 292 HG21 ILE 48 HG21 ILE 48 16.655 14.944 12.811 293 HG22 ILE 48 HG22 ILE 48 16.958 14.797 11.068 294 HG23 ILE 48 HG23 ILE 48 15.675 13.864 11.826 295 HD11 ILE 48 HD11 ILE 48 12.496 14.550 13.288 296 HD12 ILE 48 HD12 ILE 48 14.032 13.761 12.889 297 HD13 ILE 48 HD13 ILE 48 12.941 14.278 11.601 298 H THR 49 HN THR 49 14.604 17.270 9.418 299 HA THR 49 HA THR 49 12.844 19.424 10.191 300 HB THR 49 HB THR 49 13.610 19.062 7.384 301 HG1 THR 49 HG1 THR 49 15.464 19.554 9.057 302 HG21 THR 49 HG21 THR 49 13.045 21.471 7.251 303 HG22 THR 49 HG22 THR 49 12.793 21.479 8.995 304 HG23 THR 49 HG23 THR 49 11.735 20.520 7.963 305 H ILE 50 HN ILE 50 10.836 18.950 9.792 306 HA ILE 50 HA ILE 50 10.171 16.535 8.279 307 HB ILE 50 HB ILE 50 9.058 17.505 10.911 308 HG12 ILE 50 HG12 ILE 50 10.271 14.867 10.128 309 HG13 ILE 50 HG11 ILE 50 11.111 16.160 10.975 310 HG21 ILE 50 HG21 ILE 50 7.986 15.275 9.187 311 HG22 ILE 50 HG22 ILE 50 7.204 16.833 9.495 312 HG23 ILE 50 HG23 ILE 50 7.482 15.701 10.827 313 HD11 ILE 50 HD11 ILE 50 8.699 14.633 11.967 314 HD12 ILE 50 HD12 ILE 50 9.513 15.927 12.831 315 HD13 ILE 50 HD13 ILE 50 10.358 14.407 12.530 316 H GLU 51 HN GLU 51 9.105 17.430 6.525 317 HA GLU 51 HA GLU 51 7.819 18.723 5.238 318 HB2 GLU 51 HB2 GLU 51 6.152 18.183 7.639 319 HB3 GLU 51 HB1 GLU 51 5.517 19.232 6.379 320 HG2 GLU 51 HG2 GLU 51 4.773 16.996 6.083 321 HG3 GLU 51 HG1 GLU 51 5.808 17.488 4.741 322 H GLU 52 HN GLU 52 9.712 20.069 6.473 323 HA GLU 52 HA GLU 52 10.588 22.076 6.720 324 HB2 GLU 52 HB2 GLU 52 7.977 23.104 5.638 325 HB3 GLU 52 HB1 GLU 52 9.460 24.048 5.774 326 HG2 GLU 52 HG2 GLU 52 8.898 21.735 3.959 327 HG3 GLU 52 HG1 GLU 52 9.340 23.414 3.609 328 H TYR 53 HN TYR 53 9.112 20.818 8.885 329 HA TYR 53 HA TYR 53 9.102 23.143 10.697 330 HB2 TYR 53 HB2 TYR 53 8.107 20.322 11.203 331 HB3 TYR 53 HB1 TYR 53 7.849 21.736 12.202 332 HD1 TYR 53 HD1 TYR 53 6.550 23.673 10.771 333 HD2 TYR 53 HD2 TYR 53 6.268 19.485 10.138 334 HE1 TYR 53 HE1 TYR 53 4.325 23.982 9.748 335 HE2 TYR 53 HE2 TYR 53 4.072 19.767 9.113 336 HH TYR 53 HH TYR 53 2.824 22.799 8.211 337 H LYS 54 HN LYS 54 11.152 23.213 11.650 338 HA LYS 54 HA LYS 54 12.620 20.767 11.543 339 HB2 LYS 54 HB2 LYS 54 14.544 21.861 12.156 340 HB3 LYS 54 HB1 LYS 54 13.715 23.030 11.129 341 HG2 LYS 54 HG2 LYS 54 13.695 23.055 14.111 342 HG3 LYS 54 HG1 LYS 54 14.930 23.865 13.153 343 HD2 LYS 54 HD2 LYS 54 13.111 25.232 12.118 344 HD3 LYS 54 HD1 LYS 54 11.956 24.435 13.200 345 HE2 LYS 54 HE2 LYS 54 13.103 25.311 15.133 346 HE3 LYS 54 HE1 LYS 54 14.352 26.010 14.112 347 HZ1 LYS 54 HZ1 LYS 54 12.657 27.489 13.162 348 HZ2 LYS 54 HZ2 LYS 54 12.820 27.684 14.810 349 HZ3 LYS 54 HZ3 LYS 54 11.493 26.838 14.192 350 H VAL 55 HN VAL 55 13.388 19.652 13.181 351 HA VAL 55 HA VAL 55 11.918 19.909 15.732 352 HB VAL 55 HB VAL 55 12.177 17.387 14.090 353 HG11 VAL 55 HG11 VAL 55 10.782 17.843 16.719 354 HG12 VAL 55 HG12 VAL 55 12.244 16.891 16.454 355 HG13 VAL 55 HG13 VAL 55 10.709 16.363 15.760 356 HG21 VAL 55 HG21 VAL 55 9.771 19.103 14.682 357 HG22 VAL 55 HG22 VAL 55 9.690 17.505 13.963 358 HG23 VAL 55 HG23 VAL 55 10.508 18.818 13.104 359 H PHE 56 HN PHE 56 13.245 19.623 17.466 360 HA PHE 56 HA PHE 56 15.946 18.666 16.923 361 HB2 PHE 56 HB2 PHE 56 15.919 20.828 17.920 362 HB3 PHE 56 HB1 PHE 56 14.736 20.312 19.130 363 HD1 PHE 56 HD2 PHE 56 18.192 19.508 17.954 364 HD2 PHE 56 HD1 PHE 56 15.487 19.755 21.229 365 HE1 PHE 56 HE2 PHE 56 20.003 18.921 19.485 366 HE2 PHE 56 HE1 PHE 56 17.286 19.166 22.777 367 HZ PHE 56 HZ PHE 56 19.566 18.746 21.913 368 H VAL 57 HN VAL 57 16.424 16.700 17.418 369 HA VAL 57 HA VAL 57 14.816 15.299 19.406 370 HB VAL 57 HB VAL 57 16.856 14.225 17.432 371 HG11 VAL 57 HG11 VAL 57 16.684 12.852 19.451 372 HG12 VAL 57 HG12 VAL 57 15.992 12.014 18.063 373 HG13 VAL 57 HG13 VAL 57 14.934 12.769 19.256 374 HG21 VAL 57 HG21 VAL 57 13.855 14.101 17.405 375 HG22 VAL 57 HG22 VAL 57 14.926 13.294 16.261 376 HG23 VAL 57 HG23 VAL 57 14.862 15.064 16.320 377 H ASN 58 HN ASN 58 15.586 15.333 21.344 378 HA ASN 58 HA ASN 58 18.222 16.091 22.071 379 HB2 ASN 58 HB2 ASN 58 16.312 16.535 23.507 380 HB3 ASN 58 HB1 ASN 58 15.918 14.811 23.619 381 HD21 ASN 58 HD21 ASN 58 16.098 14.597 25.813 382 HD22 ASN 58 HD22 ASN 58 17.554 14.867 26.689 383 H GLU 59 HN GLU 59 19.481 14.694 23.424 384 HA GLU 59 HA GLU 59 20.304 12.425 22.031 385 HB2 GLU 59 HB2 GLU 59 21.924 12.047 23.916 386 HB3 GLU 59 HB1 GLU 59 22.004 13.593 23.086 387 HG2 GLU 59 HG2 GLU 59 20.780 14.634 24.881 388 HG3 GLU 59 HG1 GLU 59 20.674 13.093 25.736 389 H ALA 60 HN ALA 60 17.897 12.575 24.342 390 HA ALA 60 HA ALA 60 18.243 9.794 25.010 391 HB1 ALA 60 HB1 ALA 60 16.364 10.043 26.516 392 HB2 ALA 60 HB2 ALA 60 16.111 11.697 25.951 393 HB3 ALA 60 HB3 ALA 60 17.598 11.267 26.828 394 H CYS 61 HN CYS 61 17.340 11.183 22.399 395 HA CYS 61 HA CYS 61 16.056 10.692 20.585 396 HB2 CYS 61 HB2 CYS 61 15.621 8.087 22.018 397 HB3 CYS 61 HB1 CYS 61 15.363 8.410 20.309 398 H HIS 62 HN HIS 62 14.801 12.457 21.570 399 HA HIS 62 HA HIS 62 12.066 11.651 21.367 400 HB2 HIS 62 HB2 HIS 62 12.746 11.675 23.896 401 HB3 HIS 62 HB1 HIS 62 12.793 13.426 23.707 402 HD1 HIS 62 HD1 HIS 62 10.619 14.354 24.677 403 HD2 HIS 62 HD2 HIS 62 10.067 10.774 22.643 404 HE1 HIS 62 HE1 HIS 62 8.167 13.878 24.758 405 HA PRO 63 HA PRO 63 12.696 15.349 18.999 406 HB2 PRO 63 HB2 PRO 63 10.467 15.240 17.586 407 HB3 PRO 63 HB1 PRO 63 11.689 13.958 17.411 408 HG2 PRO 63 HG2 PRO 63 9.126 13.906 18.919 409 HG3 PRO 63 HG1 PRO 63 9.884 12.645 17.925 410 HD2 PRO 63 HD2 PRO 63 10.043 12.744 20.671 411 HD3 PRO 63 HD1 PRO 63 11.163 11.913 19.565 412 H TYR 64 HN TYR 64 12.283 17.436 19.253 413 HA TYR 64 HA TYR 64 9.722 18.185 20.310 414 HB2 TYR 64 HB2 TYR 64 12.363 19.249 21.172 415 HB3 TYR 64 HB1 TYR 64 10.897 20.242 21.319 416 HD1 TYR 64 HD2 TYR 64 9.022 19.462 22.610 417 HD2 TYR 64 HD1 TYR 64 12.699 17.445 22.532 418 HE1 TYR 64 HE2 TYR 64 8.336 18.224 24.652 419 HE2 TYR 64 HE1 TYR 64 12.073 16.150 24.591 420 HH TYR 64 HH TYR 64 10.523 16.395 26.485 421 HA PRO 65 HA PRO 65 8.413 19.557 20.585 422 HB2 PRO 65 HB2 PRO 65 6.128 20.163 19.311 423 HB3 PRO 65 HB1 PRO 65 7.206 21.414 19.963 424 HG2 PRO 65 HG2 PRO 65 6.870 20.491 17.197 425 HG3 PRO 65 HG1 PRO 65 7.192 22.130 17.867 426 HD2 PRO 65 HD2 PRO 65 9.086 20.489 16.686 427 HD3 PRO 65 HD1 PRO 65 9.423 21.835 17.793 428 H VAL 66 HN VAL 66 6.721 18.000 20.934 429 HA VAL 66 HA VAL 66 7.147 15.620 19.384 430 HB VAL 66 HB VAL 66 5.303 16.121 21.730 431 HG11 VAL 66 HG11 VAL 66 6.349 13.534 20.598 432 HG12 VAL 66 HG12 VAL 66 4.686 14.115 20.516 433 HG13 VAL 66 HG13 VAL 66 5.400 13.695 22.074 434 HG21 VAL 66 HG21 VAL 66 7.599 16.628 22.317 435 HG22 VAL 66 HG22 VAL 66 8.131 15.097 21.659 436 HG23 VAL 66 HG23 VAL 66 7.121 15.121 23.106 437 H ILE 67 HN ILE 67 4.444 17.796 20.150 438 HA ILE 67 HA ILE 67 3.136 16.662 17.873 439 HB ILE 67 HB ILE 67 2.043 18.247 20.139 440 HG12 ILE 67 HG12 ILE 67 0.130 16.791 19.802 441 HG13 ILE 67 HG11 ILE 67 0.887 16.083 18.392 442 HG21 ILE 67 HG21 ILE 67 0.023 18.910 18.896 443 HG22 ILE 67 HG22 ILE 67 0.790 18.381 17.401 444 HG23 ILE 67 HG23 ILE 67 1.460 19.739 18.293 445 HD11 ILE 67 HD11 ILE 67 1.867 15.939 21.212 446 HD12 ILE 67 HD12 ILE 67 2.645 15.206 19.786 447 HD13 ILE 67 HD13 ILE 67 1.036 14.663 20.308 448 H LEU 68 HN LEU 68 3.182 17.449 16.090 449 HA LEU 68 HA LEU 68 4.609 19.935 15.570 450 HB2 LEU 68 HB2 LEU 68 3.370 17.911 13.703 451 HB3 LEU 68 HB1 LEU 68 4.235 19.330 13.158 452 HG LEU 68 HG LEU 68 5.356 16.951 14.619 453 HD11 LEU 68 HD11 LEU 68 5.844 18.156 11.917 454 HD12 LEU 68 HD12 LEU 68 4.952 16.669 12.248 455 HD13 LEU 68 HD13 LEU 68 6.695 16.764 12.585 456 HD21 LEU 68 HD21 LEU 68 6.726 19.537 13.858 457 HD22 LEU 68 HD22 LEU 68 7.537 18.083 14.425 458 HD23 LEU 68 HD23 LEU 68 6.444 18.952 15.500 459 HA PRO 69 HA PRO 69 1.076 22.546 14.985 460 HB2 PRO 69 HB2 PRO 69 1.848 23.416 12.337 461 HB3 PRO 69 HB1 PRO 69 1.859 24.352 13.852 462 HG2 PRO 69 HG2 PRO 69 4.174 23.714 12.717 463 HG3 PRO 69 HG1 PRO 69 3.947 23.614 14.489 464 HD2 PRO 69 HD2 PRO 69 3.779 21.413 12.483 465 HD3 PRO 69 HD1 PRO 69 4.756 21.422 13.954 466 H ASP 70 HN ASP 70 1.652 20.109 12.981 467 HA ASP 70 HA ASP 70 -0.768 20.254 11.404 468 HB2 ASP 70 HB2 ASP 70 1.462 19.611 10.407 469 HB3 ASP 70 HB1 ASP 70 1.409 18.147 11.369 470 H ARG 71 HN ARG 71 -0.047 19.391 14.472 471 HA ARG 71 HA ARG 71 -1.006 18.203 16.142 472 HB2 ARG 71 HB2 ARG 71 -3.105 18.953 14.889 473 HB3 ARG 71 HB1 ARG 71 -3.048 17.420 14.057 474 HG2 ARG 71 HG2 ARG 71 -4.630 16.959 15.655 475 HG3 ARG 71 HG1 ARG 71 -3.171 16.452 16.498 476 HD2 ARG 71 HD2 ARG 71 -4.474 19.153 16.793 477 HD3 ARG 71 HD1 ARG 71 -4.756 17.795 17.859 478 HE ARG 71 HE ARG 71 -2.453 17.953 18.534 479 HH11 ARG 71 HH11 ARG 71 -3.630 20.770 16.716 480 HH12 ARG 71 HH12 ARG 71 -2.785 21.913 17.647 481 HH21 ARG 71 HH21 ARG 71 -1.342 19.595 19.883 482 HH22 ARG 71 HH22 ARG 71 -1.470 21.237 19.482 483 H SER 72 HN SER 72 0.807 17.059 14.081 484 HA SER 72 HA SER 72 0.135 14.273 14.187 485 HB2 SER 72 HB2 SER 72 2.752 15.445 13.180 486 HB3 SER 72 HB1 SER 72 1.948 13.927 12.711 487 HG SER 72 HG SER 72 0.309 15.995 12.281 488 H VAL 73 HN VAL 73 1.104 12.852 15.414 489 HA VAL 73 HA VAL 73 2.350 13.685 17.909 490 HB VAL 73 HB VAL 73 0.900 11.317 16.794 491 HG11 VAL 73 HG11 VAL 73 2.568 11.111 19.317 492 HG12 VAL 73 HG12 VAL 73 2.926 10.350 17.761 493 HG13 VAL 73 HG13 VAL 73 1.484 9.874 18.631 494 HG21 VAL 73 HG21 VAL 73 0.670 12.778 19.391 495 HG22 VAL 73 HG22 VAL 73 -0.338 11.432 18.856 496 HG23 VAL 73 HG23 VAL 73 -0.374 12.960 17.967 497 H LEU 74 HN LEU 74 4.555 13.552 18.050 498 HA LEU 74 HA LEU 74 5.830 11.673 16.246 499 HB2 LEU 74 HB2 LEU 74 6.838 14.151 17.547 500 HB3 LEU 74 HB1 LEU 74 7.953 12.825 17.255 501 HG LEU 74 HG LEU 74 7.695 12.976 14.926 502 HD11 LEU 74 HD11 LEU 74 6.122 14.522 13.867 503 HD12 LEU 74 HD12 LEU 74 5.410 14.835 15.483 504 HD13 LEU 74 HD13 LEU 74 5.356 13.221 14.779 505 HD21 LEU 74 HD21 LEU 74 9.137 14.662 15.893 506 HD22 LEU 74 HD22 LEU 74 7.762 15.753 16.092 507 HD23 LEU 74 HD23 LEU 74 8.305 15.305 14.476 508 H SER 75 HN SER 75 6.705 10.037 16.785 509 HA SER 75 HA SER 75 6.917 9.362 19.665 510 HB2 SER 75 HB2 SER 75 5.468 7.841 18.319 511 HB3 SER 75 HB1 SER 75 6.848 7.488 17.282 512 HG SER 75 HG SER 75 6.659 5.869 18.738 513 H GLY 76 HN GLY 76 8.922 9.358 20.483 514 HA2 GLY 76 HA2 GLY 76 11.134 9.039 18.559 515 HA3 GLY 76 HA1 GLY 76 11.198 10.111 19.971 516 H ASP 77 HN ASP 77 12.507 7.430 18.948 517 HA ASP 77 HA ASP 77 12.906 6.480 21.697 518 HB2 ASP 77 HB2 ASP 77 10.942 5.212 20.438 519 HB3 ASP 77 HB1 ASP 77 12.276 4.444 19.585 520 H PHE 78 HN PHE 78 14.624 4.706 21.494 521 HA PHE 78 HA PHE 78 16.766 5.891 19.911 522 HB2 PHE 78 HB2 PHE 78 16.633 3.544 21.727 523 HB3 PHE 78 HB1 PHE 78 18.138 4.021 20.931 524 HD1 PHE 78 HD2 PHE 78 15.627 4.980 23.551 525 HD2 PHE 78 HD1 PHE 78 19.498 5.756 21.899 526 HE1 PHE 78 HE2 PHE 78 16.193 6.368 25.478 527 HE2 PHE 78 HE1 PHE 78 20.041 7.134 23.836 528 HZ PHE 78 HZ PHE 78 18.389 7.448 25.630 529 H THR 79 HN THR 79 17.557 4.937 17.974 530 HA THR 79 HA THR 79 15.769 3.176 16.628 531 HB THR 79 HB THR 79 18.518 3.629 15.702 532 HG1 THR 79 HG1 THR 79 18.112 5.626 15.256 533 HG21 THR 79 HG21 THR 79 15.849 3.473 14.394 534 HG22 THR 79 HG22 THR 79 17.126 2.246 14.344 535 HG23 THR 79 HG23 THR 79 17.351 3.812 13.542 536 H SER 80 HN SER 80 18.361 2.596 18.753 537 HA SER 80 HA SER 80 19.368 0.220 17.603 538 HB2 SER 80 HB2 SER 80 20.347 1.789 19.445 539 HB3 SER 80 HB1 SER 80 19.483 0.722 20.534 540 HG SER 80 HG SER 80 21.275 -0.180 18.541 541 H ALA 81 HN ALA 81 16.752 1.041 19.650 542 HA ALA 81 HA ALA 81 16.093 -1.711 20.171 543 HB1 ALA 81 HB1 ALA 81 15.958 -0.138 22.050 544 HB2 ALA 81 HB2 ALA 81 14.362 -0.801 21.699 545 HB3 ALA 81 HB3 ALA 81 14.779 0.827 21.167 546 H TYR 82 HN TYR 82 15.900 -0.266 17.648 547 HA TYR 82 HA TYR 82 13.187 -0.954 16.982 548 HB2 TYR 82 HB2 TYR 82 14.403 1.627 16.693 549 HB3 TYR 82 HB1 TYR 82 13.595 1.086 15.214 550 HD1 TYR 82 HD2 TYR 82 13.047 1.518 18.897 551 HD2 TYR 82 HD1 TYR 82 11.324 1.366 15.022 552 HE1 TYR 82 HE2 TYR 82 10.869 2.164 19.847 553 HE2 TYR 82 HE1 TYR 82 9.144 2.010 15.949 554 HH TYR 82 HH TYR 82 8.785 3.180 19.114 555 H ALA 83 HN ALA 83 15.811 0.353 14.965 556 HA ALA 83 HA ALA 83 15.416 -1.956 13.279 557 HB1 ALA 83 HB1 ALA 83 14.968 0.157 12.122 558 HB2 ALA 83 HB2 ALA 83 16.385 -0.628 11.421 559 HB3 ALA 83 HB3 ALA 83 16.584 0.734 12.521 560 H ASP 84 HN ASP 84 18.213 0.216 13.325 561 HA ASP 84 HA ASP 84 20.416 -0.005 13.890 562 HB2 ASP 84 HB2 ASP 84 19.231 -0.602 16.030 563 HB3 ASP 84 HB1 ASP 84 19.456 -2.270 15.617 564 H ASP 85 HN ASP 85 18.999 -1.860 11.882 565 HA ASP 85 HA ASP 85 20.322 -4.362 11.971 566 HB2 ASP 85 HB2 ASP 85 18.544 -3.155 9.881 567 HB3 ASP 85 HB1 ASP 85 19.256 -4.753 9.734 568 H ASP 86 HN ASP 86 21.913 -1.704 11.260 569 HA ASP 86 HA ASP 86 23.152 -2.706 8.824 570 HB2 ASP 86 HB2 ASP 86 23.004 -0.216 9.188 571 HB3 ASP 86 HB1 ASP 86 24.117 -0.395 10.540 572 H GLU 87 HN GLU 87 23.571 -4.655 9.691 573 HA GLU 87 HA GLU 87 24.713 -6.329 10.584 574 HB2 GLU 87 HB2 GLU 87 26.433 -5.361 9.104 575 HB3 GLU 87 HB1 GLU 87 27.000 -4.475 10.528 576 HG2 GLU 87 HG2 GLU 87 27.691 -6.476 11.598 577 HG3 GLU 87 HG1 GLU 87 26.905 -7.474 10.373 578 H SER 88 HN SER 88 23.391 -6.113 12.432 579 HA SER 88 HA SER 88 24.340 -4.813 14.770 580 HB2 SER 88 HB2 SER 88 22.283 -7.017 14.593 581 HB3 SER 88 HB1 SER 88 22.393 -5.724 15.790 582 HG SER 88 HG SER 88 21.962 -4.227 14.063 583 H CYS 89 HN CYS 89 26.275 -5.564 15.465 584 HA CYS 89 HA CYS 89 26.433 -8.225 16.535 585 HB2 CYS 89 HB2 CYS 89 27.252 -8.428 14.155 586 HB3 CYS 89 HB1 CYS 89 28.437 -7.180 14.492 587 HG CYS 89 HG CYS 89 30.216 -8.922 14.896 Start of MODEL 6 1 H GLY 11 HT1 GLY 11 9.677 -6.718 -0.249 2 HA2 GLY 11 HA1 GLY 11 8.782 -6.088 2.491 3 HA3 GLY 11 HA2 GLY 11 10.329 -5.641 1.774 4 H ARG 12 HN ARG 12 7.523 -4.341 2.624 5 HA ARG 12 HA ARG 12 6.729 -3.088 0.202 6 HB2 ARG 12 HB2 ARG 12 5.050 -3.447 1.926 7 HB3 ARG 12 HB1 ARG 12 5.935 -2.440 3.058 8 HG2 ARG 12 HG2 ARG 12 4.115 -1.162 2.225 9 HG3 ARG 12 HG1 ARG 12 5.594 -0.514 1.516 10 HD2 ARG 12 HD2 ARG 12 5.086 -2.083 -0.459 11 HD3 ARG 12 HD1 ARG 12 3.472 -2.193 0.234 12 HE ARG 12 HE ARG 12 4.448 0.475 -0.131 13 HH11 ARG 12 HH11 ARG 12 2.374 -2.064 -1.402 14 HH12 ARG 12 HH12 ARG 12 1.912 -1.222 -2.802 15 HH21 ARG 12 HH21 ARG 12 3.879 1.652 -2.071 16 HH22 ARG 12 HH22 ARG 12 2.787 0.970 -3.197 17 H GLU 13 HN GLU 13 8.233 -1.939 -0.737 18 HA GLU 13 HA GLU 13 9.444 -0.161 -1.341 19 HB2 GLU 13 HB2 GLU 13 7.866 1.165 0.870 20 HB3 GLU 13 HB1 GLU 13 8.788 2.034 -0.359 21 HG2 GLU 13 HG2 GLU 13 7.410 1.184 -2.104 22 HG3 GLU 13 HG1 GLU 13 6.611 0.073 -1.005 23 H ASN 14 HN ASN 14 10.441 -1.958 0.780 24 HA ASN 14 HA ASN 14 12.169 -0.381 2.446 25 HB2 ASN 14 HB2 ASN 14 12.350 -3.309 1.733 26 HB3 ASN 14 HB1 ASN 14 13.412 -2.513 2.876 27 HD21 ASN 14 HD21 ASN 14 12.455 -1.820 4.915 28 HD22 ASN 14 HD22 ASN 14 11.007 -2.541 5.478 29 H LEU 15 HN LEU 15 12.390 -1.997 -0.587 30 HA LEU 15 HA LEU 15 13.842 -1.918 -2.376 31 HB2 LEU 15 HB2 LEU 15 14.578 0.724 -1.120 32 HB3 LEU 15 HB1 LEU 15 14.914 0.250 -2.768 33 HG LEU 15 HG LEU 15 12.179 0.710 -1.595 34 HD11 LEU 15 HD11 LEU 15 13.841 2.327 -3.516 35 HD12 LEU 15 HD12 LEU 15 13.442 2.760 -1.853 36 HD13 LEU 15 HD13 LEU 15 12.172 2.668 -3.074 37 HD21 LEU 15 HD21 LEU 15 11.386 0.473 -3.906 38 HD22 LEU 15 HD22 LEU 15 12.146 -1.008 -3.334 39 HD23 LEU 15 HD23 LEU 15 13.023 0.063 -4.426 40 H TYR 16 HN TYR 16 16.404 -0.771 -2.614 41 HA TYR 16 HA TYR 16 17.820 -2.368 -0.685 42 HB2 TYR 16 HB2 TYR 16 18.387 -2.713 -3.123 43 HB3 TYR 16 HB1 TYR 16 18.975 -1.058 -3.184 44 HD1 TYR 16 HD1 TYR 16 19.487 -4.072 -1.018 45 HD2 TYR 16 HD2 TYR 16 21.288 -0.830 -3.102 46 HE1 TYR 16 HE1 TYR 16 21.701 -4.833 -0.273 47 HE2 TYR 16 HE2 TYR 16 23.511 -1.585 -2.362 48 HH TYR 16 HH TYR 16 24.062 -4.621 -1.002 49 H PHE 17 HN PHE 17 16.568 -0.208 -0.066 50 HA PHE 17 HA PHE 17 18.474 1.764 0.953 51 HB2 PHE 17 HB2 PHE 17 16.212 2.567 0.580 52 HB3 PHE 17 HB1 PHE 17 15.526 1.202 1.432 53 HD1 PHE 17 HD1 PHE 17 17.447 4.345 1.911 54 HD2 PHE 17 HD2 PHE 17 15.041 1.330 3.700 55 HE1 PHE 17 HE1 PHE 17 17.242 5.708 3.957 56 HE2 PHE 17 HE2 PHE 17 14.841 2.682 5.739 57 HZ PHE 17 HZ PHE 17 15.942 4.876 5.868 58 H GLN 18 HN GLN 18 16.915 -1.158 1.580 59 HA GLN 18 HA GLN 18 18.019 -1.599 4.220 60 HB2 GLN 18 HB2 GLN 18 15.694 -2.369 3.409 61 HB3 GLN 18 HB1 GLN 18 16.538 -3.515 2.400 62 HG2 GLN 18 HG2 GLN 18 16.476 -3.445 5.411 63 HG3 GLN 18 HG1 GLN 18 15.683 -4.602 4.362 64 HE21 GLN 18 HE21 GLN 18 18.536 -3.704 5.959 65 HE22 GLN 18 HE22 GLN 18 19.528 -5.032 5.571 66 H GLY 19 HN GLY 19 20.187 -1.509 3.658 67 HA2 GLY 19 HA2 GLY 19 21.202 -3.955 2.370 68 HA3 GLY 19 HA1 GLY 19 22.022 -2.384 2.169 69 H HIS 20 HN HIS 20 23.570 -1.939 3.632 70 HA HIS 20 HA HIS 20 23.226 -3.138 6.240 71 HB2 HIS 20 HB2 HIS 20 25.430 -1.366 5.135 72 HB3 HIS 20 HB1 HIS 20 25.306 -1.707 6.863 73 HD1 HIS 20 HD1 HIS 20 27.208 -2.921 4.143 74 HD2 HIS 20 HD2 HIS 20 24.929 -4.748 7.106 75 HE1 HIS 20 HE1 HIS 20 27.991 -5.306 4.270 76 H MET 21 HN MET 21 21.754 -2.383 7.387 77 HA MET 21 HA MET 21 20.390 0.066 6.612 78 HB2 MET 21 HB2 MET 21 19.434 -2.295 6.920 79 HB3 MET 21 HB1 MET 21 19.687 -2.053 8.629 80 HG2 MET 21 HG2 MET 21 17.390 -1.743 8.170 81 HG3 MET 21 HG1 MET 21 18.071 -0.156 8.512 82 HE1 MET 21 HE1 MET 21 15.488 0.379 7.449 83 HE2 MET 21 HE2 MET 21 15.298 -1.275 6.869 84 HE3 MET 21 HE3 MET 21 15.112 0.075 5.750 85 H ALA 22 HN ALA 22 22.513 0.861 7.593 86 HA ALA 22 HA ALA 22 22.542 1.136 10.468 87 HB1 ALA 22 HB1 ALA 22 24.583 2.440 10.157 88 HB2 ALA 22 HB2 ALA 22 24.321 2.451 8.412 89 HB3 ALA 22 HB3 ALA 22 24.663 0.934 9.241 90 H TRP 23 HN TRP 23 20.623 2.125 10.814 91 HA TRP 23 HA TRP 23 19.947 4.667 9.733 92 HB2 TRP 23 HB2 TRP 23 18.827 2.990 11.968 93 HB3 TRP 23 HB1 TRP 23 18.247 4.628 11.616 94 HD1 TRP 23 HD1 TRP 23 19.142 2.170 8.974 95 HE1 TRP 23 HE1 TRP 23 17.005 1.636 7.544 96 HE3 TRP 23 HE3 TRP 23 15.782 4.612 11.783 97 HZ2 TRP 23 HZ2 TRP 23 14.138 2.261 7.756 98 HZ3 TRP 23 HZ3 TRP 23 13.431 4.602 11.144 99 HH2 TRP 23 HH2 TRP 23 12.664 3.439 9.154 100 H LYS 24 HN LYS 24 19.170 6.235 11.792 101 HA LYS 24 HA LYS 24 21.720 7.207 12.845 102 HB2 LYS 24 HB2 LYS 24 18.984 8.382 13.201 103 HB3 LYS 24 HB1 LYS 24 20.537 9.128 13.480 104 HG2 LYS 24 HG2 LYS 24 19.517 8.382 10.740 105 HG3 LYS 24 HG1 LYS 24 19.405 9.984 11.457 106 HD2 LYS 24 HD2 LYS 24 21.294 10.167 10.147 107 HD3 LYS 24 HD1 LYS 24 21.972 9.759 11.728 108 HE2 LYS 24 HE2 LYS 24 22.014 7.339 10.922 109 HE3 LYS 24 HE1 LYS 24 21.588 7.975 9.343 110 HZ1 LYS 24 HZ1 LYS 24 24.000 8.731 10.872 111 HZ2 LYS 24 HZ2 LYS 24 23.626 9.252 9.313 112 HZ3 LYS 24 HZ3 LYS 24 23.981 7.631 9.610 113 H ASP 25 HN ASP 25 21.176 8.344 15.066 114 HA ASP 25 HA ASP 25 21.370 6.125 16.804 115 HB2 ASP 25 HB2 ASP 25 21.438 9.029 17.190 116 HB3 ASP 25 HB1 ASP 25 21.395 8.054 18.652 117 H CYS 26 HN CYS 26 18.884 8.405 16.146 118 HA CYS 26 HA CYS 26 17.134 7.090 18.127 119 HB2 CYS 26 HB2 CYS 26 17.251 9.971 17.341 120 HB3 CYS 26 HB1 CYS 26 16.073 9.300 18.463 121 H ILE 27 HN ILE 27 15.028 6.827 17.516 122 HA ILE 27 HA ILE 27 14.504 7.275 14.669 123 HB ILE 27 HB ILE 27 14.989 4.932 15.241 124 HG12 ILE 27 HG12 ILE 27 12.097 4.931 14.525 125 HG13 ILE 27 HG11 ILE 27 13.222 5.690 13.410 126 HG21 ILE 27 HG21 ILE 27 14.154 4.788 17.455 127 HG22 ILE 27 HG22 ILE 27 13.368 3.570 16.436 128 HG23 ILE 27 HG23 ILE 27 12.501 5.048 16.879 129 HD11 ILE 27 HD11 ILE 27 12.795 3.311 12.874 130 HD12 ILE 27 HD12 ILE 27 13.568 2.861 14.430 131 HD13 ILE 27 HD13 ILE 27 14.457 3.713 13.193 132 H ILE 28 HN ILE 28 12.711 8.294 14.150 133 HA ILE 28 HA ILE 28 10.887 8.921 16.319 134 HB ILE 28 HB ILE 28 12.041 10.774 14.227 135 HG12 ILE 28 HG12 ILE 28 12.378 12.289 16.068 136 HG13 ILE 28 HG11 ILE 28 11.518 11.229 17.176 137 HG21 ILE 28 HG21 ILE 28 10.373 12.470 14.760 138 HG22 ILE 28 HG22 ILE 28 9.490 11.289 15.726 139 HG23 ILE 28 HG23 ILE 28 9.661 11.054 13.988 140 HD11 ILE 28 HD11 ILE 28 13.362 9.626 16.962 141 HD12 ILE 28 HD12 ILE 28 13.872 11.186 17.590 142 HD13 ILE 28 HD13 ILE 28 14.206 10.757 15.900 143 H GLN 29 HN GLN 29 9.063 8.077 15.997 144 HA GLN 29 HA GLN 29 8.145 7.463 13.315 145 HB2 GLN 29 HB2 GLN 29 7.111 6.746 16.039 146 HB3 GLN 29 HB1 GLN 29 6.271 6.338 14.554 147 HG2 GLN 29 HG2 GLN 29 8.438 5.110 13.865 148 HG3 GLN 29 HG1 GLN 29 8.979 5.410 15.496 149 HE21 GLN 29 HE21 GLN 29 6.468 5.013 16.791 150 HE22 GLN 29 HE22 GLN 29 6.125 3.327 16.727 151 H ARG 30 HN ARG 30 6.760 8.715 12.282 152 HA ARG 30 HA ARG 30 5.635 10.990 13.700 153 HB2 ARG 30 HB2 ARG 30 6.921 11.290 11.569 154 HB3 ARG 30 HB1 ARG 30 5.680 10.347 10.754 155 HG2 ARG 30 HG2 ARG 30 4.011 12.101 11.612 156 HG3 ARG 30 HG1 ARG 30 5.513 12.966 12.044 157 HD2 ARG 30 HD2 ARG 30 6.186 13.240 9.863 158 HD3 ARG 30 HD1 ARG 30 5.055 12.023 9.262 159 HE ARG 30 HE ARG 30 3.517 14.087 10.298 160 HH11 ARG 30 HH11 ARG 30 5.974 13.742 7.803 161 HH12 ARG 30 HH12 ARG 30 5.346 14.996 6.821 162 HH21 ARG 30 HH21 ARG 30 2.524 15.678 8.845 163 HH22 ARG 30 HH22 ARG 30 3.320 16.002 7.382 164 H TYR 31 HN TYR 31 3.664 10.482 14.541 165 HA TYR 31 HA TYR 31 1.876 8.662 13.140 166 HB2 TYR 31 HB2 TYR 31 1.870 9.949 15.772 167 HB3 TYR 31 HB1 TYR 31 0.429 9.101 15.185 168 HD1 TYR 31 HD2 TYR 31 3.845 8.899 16.460 169 HD2 TYR 31 HD1 TYR 31 0.465 6.694 15.170 170 HE1 TYR 31 HE2 TYR 31 4.759 6.913 17.523 171 HE2 TYR 31 HE1 TYR 31 1.342 4.687 16.231 172 HH TYR 31 HH TYR 31 3.576 4.804 18.516 173 H LYS 32 HN LYS 32 0.642 9.625 11.639 174 HA LYS 32 HA LYS 32 -0.037 12.410 12.068 175 HB2 LYS 32 HB2 LYS 32 1.066 11.376 9.921 176 HB3 LYS 32 HB1 LYS 32 -0.608 10.942 9.599 177 HG2 LYS 32 HG2 LYS 32 0.479 13.694 10.037 178 HG3 LYS 32 HG1 LYS 32 0.056 12.950 8.477 179 HD2 LYS 32 HD2 LYS 32 -2.316 12.764 9.349 180 HD3 LYS 32 HD1 LYS 32 -1.815 13.739 10.728 181 HE2 LYS 32 HE2 LYS 32 -1.131 15.529 9.135 182 HE3 LYS 32 HE1 LYS 32 -1.798 14.557 7.829 183 HZ1 LYS 32 HZ1 LYS 32 -3.278 15.784 10.088 184 HZ2 LYS 32 HZ2 LYS 32 -3.963 14.669 9.034 185 HZ3 LYS 32 HZ3 LYS 32 -3.422 16.150 8.447 186 H ASP 33 HN ASP 33 -1.987 12.712 12.857 187 HA ASP 33 HA ASP 33 -4.077 12.402 13.625 188 HB2 ASP 33 HB2 ASP 33 -4.344 10.700 11.230 189 HB3 ASP 33 HB1 ASP 33 -5.705 11.132 12.253 190 H GLY 34 HN GLY 34 -2.003 10.648 14.520 191 HA2 GLY 34 HA2 GLY 34 -2.231 9.277 16.398 192 HA3 GLY 34 HA1 GLY 34 -3.808 8.791 15.769 193 H ASP 35 HN ASP 35 -2.093 8.383 13.060 194 HA ASP 35 HA ASP 35 -1.019 5.841 13.994 195 HB2 ASP 35 HB2 ASP 35 -3.094 5.271 12.886 196 HB3 ASP 35 HB1 ASP 35 -2.594 6.117 11.409 197 H VAL 36 HN VAL 36 0.567 4.992 12.722 198 HA VAL 36 HA VAL 36 2.450 7.078 12.369 199 HB VAL 36 HB VAL 36 3.087 5.082 13.494 200 HG11 VAL 36 HG11 VAL 36 1.779 3.454 12.359 201 HG12 VAL 36 HG12 VAL 36 3.473 2.956 12.328 202 HG13 VAL 36 HG13 VAL 36 2.717 3.658 10.884 203 HG21 VAL 36 HG21 VAL 36 4.632 5.522 10.964 204 HG22 VAL 36 HG22 VAL 36 5.251 4.702 12.410 205 HG23 VAL 36 HG23 VAL 36 4.795 6.410 12.478 206 H ASN 37 HN ASN 37 2.850 8.178 10.692 207 HA ASN 37 HA ASN 37 1.929 7.359 8.032 208 HB2 ASN 37 HB2 ASN 37 1.158 9.500 8.918 209 HB3 ASN 37 HB1 ASN 37 2.838 9.987 9.031 210 HD21 ASN 37 HD21 ASN 37 2.421 11.779 7.650 211 HD22 ASN 37 HD22 ASN 37 2.225 11.586 5.963 212 H ASN 38 HN ASN 38 4.713 8.965 9.551 213 HA ASN 38 HA ASN 38 6.365 7.865 7.440 214 HB2 ASN 38 HB2 ASN 38 6.781 10.383 9.027 215 HB3 ASN 38 HB1 ASN 38 7.885 9.724 7.834 216 HD21 ASN 38 HD21 ASN 38 7.484 10.061 5.648 217 HD22 ASN 38 HD22 ASN 38 6.223 11.082 5.076 218 H ILE 39 HN ILE 39 8.422 7.241 8.095 219 HA ILE 39 HA ILE 39 8.888 6.974 10.971 220 HB ILE 39 HB ILE 39 9.495 5.040 8.725 221 HG12 ILE 39 HG12 ILE 39 8.618 3.314 10.366 222 HG13 ILE 39 HG11 ILE 39 8.138 4.650 11.389 223 HG21 ILE 39 HG21 ILE 39 10.852 4.984 11.411 224 HG22 ILE 39 HG22 ILE 39 11.584 5.238 9.826 225 HG23 ILE 39 HG23 ILE 39 10.879 3.683 10.220 226 HD11 ILE 39 HD11 ILE 39 7.108 4.069 8.624 227 HD12 ILE 39 HD12 ILE 39 6.642 5.439 9.638 228 HD13 ILE 39 HD13 ILE 39 6.260 3.799 10.152 229 H TYR 40 HN TYR 40 10.529 8.273 11.541 230 HA TYR 40 HA TYR 40 12.523 8.934 9.479 231 HB2 TYR 40 HB2 TYR 40 11.831 10.777 11.817 232 HB3 TYR 40 HB1 TYR 40 12.882 11.056 10.453 233 HD1 TYR 40 HD2 TYR 40 11.690 10.966 8.087 234 HD2 TYR 40 HD1 TYR 40 9.710 11.791 11.776 235 HE1 TYR 40 HE2 TYR 40 9.949 12.182 6.881 236 HE2 TYR 40 HE1 TYR 40 7.998 12.985 10.595 237 HH TYR 40 HH TYR 40 7.959 14.277 8.282 238 H THR 41 HN THR 41 14.630 9.523 10.478 239 HA THR 41 HA THR 41 14.964 8.738 13.184 240 HB THR 41 HB THR 41 15.368 6.650 12.338 241 HG1 THR 41 HG1 THR 41 16.970 7.277 13.758 242 HG21 THR 41 HG21 THR 41 16.909 6.109 10.494 243 HG22 THR 41 HG22 THR 41 17.092 7.842 10.153 244 HG23 THR 41 HG23 THR 41 15.512 7.046 9.999 245 H ALA 42 HN ALA 42 16.629 9.628 14.131 246 HA ALA 42 HA ALA 42 18.149 11.717 12.743 247 HB1 ALA 42 HB1 ALA 42 16.075 12.813 13.507 248 HB2 ALA 42 HB2 ALA 42 17.463 13.363 14.449 249 HB3 ALA 42 HB3 ALA 42 16.355 12.175 15.126 250 H ASN 43 HN ASN 43 19.870 12.469 14.151 251 HA ASN 43 HA ASN 43 20.734 10.355 15.914 252 HB2 ASN 43 HB2 ASN 43 22.090 12.853 14.932 253 HB3 ASN 43 HB1 ASN 43 22.801 11.826 16.170 254 HD21 ASN 43 HD21 ASN 43 23.631 12.479 13.421 255 HD22 ASN 43 HD22 ASN 43 23.870 10.970 12.630 256 H ARG 44 HN ARG 44 21.482 10.769 18.096 257 HA ARG 44 HA ARG 44 19.873 12.278 19.738 258 HB2 ARG 44 HB2 ARG 44 22.141 12.097 21.186 259 HB3 ARG 44 HB1 ARG 44 20.977 10.793 20.969 260 HG2 ARG 44 HG2 ARG 44 22.281 9.768 19.336 261 HG3 ARG 44 HG1 ARG 44 23.345 11.128 19.138 262 HD2 ARG 44 HD2 ARG 44 24.221 10.667 21.433 263 HD3 ARG 44 HD1 ARG 44 23.134 9.270 21.506 264 HE ARG 44 HE ARG 44 24.301 8.249 19.753 265 HH11 ARG 44 HH11 ARG 44 25.914 11.247 20.805 266 HH12 ARG 44 HH12 ARG 44 27.371 10.840 20.038 267 HH21 ARG 44 HH21 ARG 44 26.265 7.779 18.688 268 HH22 ARG 44 HH22 ARG 44 27.584 8.876 18.821 269 H ASN 45 HN ASN 45 19.675 14.304 19.890 270 HA ASN 45 HA ASN 45 19.960 16.496 20.027 271 HB2 ASN 45 HB2 ASN 45 22.909 16.348 20.010 272 HB3 ASN 45 HB1 ASN 45 21.834 17.517 20.801 273 HD21 ASN 45 HD21 ASN 45 20.666 16.786 22.652 274 HD22 ASN 45 HD22 ASN 45 21.325 15.588 23.701 275 H GLU 46 HN GLU 46 19.150 16.003 17.876 276 HA GLU 46 HA GLU 46 20.718 17.397 15.930 277 HB2 GLU 46 HB2 GLU 46 21.215 15.033 15.572 278 HB3 GLU 46 HB1 GLU 46 19.503 14.650 15.589 279 HG2 GLU 46 HG2 GLU 46 19.160 15.794 13.536 280 HG3 GLU 46 HG1 GLU 46 20.798 16.453 13.657 281 H GLU 47 HN GLU 47 19.394 18.713 14.737 282 HA GLU 47 HA GLU 47 16.573 18.443 15.298 283 HB2 GLU 47 HB2 GLU 47 17.556 20.465 16.253 284 HB3 GLU 47 HB1 GLU 47 18.184 20.928 14.684 285 HG2 GLU 47 HG2 GLU 47 16.016 21.439 13.889 286 HG3 GLU 47 HG1 GLU 47 15.250 20.672 15.281 287 H ILE 48 HN ILE 48 15.544 17.565 13.759 288 HA ILE 48 HA ILE 48 16.470 17.652 11.042 289 HB ILE 48 HB ILE 48 14.605 16.122 10.564 290 HG12 ILE 48 HG12 ILE 48 13.917 16.407 13.501 291 HG13 ILE 48 HG11 ILE 48 12.980 16.952 12.113 292 HG21 ILE 48 HG21 ILE 48 16.255 15.211 12.910 293 HG22 ILE 48 HG22 ILE 48 16.679 15.086 11.194 294 HG23 ILE 48 HG23 ILE 48 15.324 14.170 11.839 295 HD11 ILE 48 HD11 ILE 48 12.051 14.912 13.067 296 HD12 ILE 48 HD12 ILE 48 13.578 14.076 12.740 297 HD13 ILE 48 HD13 ILE 48 12.599 14.688 11.404 298 H THR 49 HN THR 49 14.331 17.796 9.481 299 HA THR 49 HA THR 49 12.599 19.866 10.483 300 HB THR 49 HB THR 49 13.479 19.975 7.691 301 HG1 THR 49 HG1 THR 49 15.121 20.279 9.774 302 HG21 THR 49 HG21 THR 49 12.617 22.045 9.695 303 HG22 THR 49 HG22 THR 49 11.619 21.340 8.424 304 HG23 THR 49 HG23 THR 49 12.981 22.393 8.008 305 H ILE 50 HN ILE 50 10.571 19.520 9.882 306 HA ILE 50 HA ILE 50 9.999 17.385 7.963 307 HB ILE 50 HB ILE 50 8.553 17.986 10.554 308 HG12 ILE 50 HG12 ILE 50 9.979 15.483 9.672 309 HG13 ILE 50 HG11 ILE 50 10.677 16.729 10.701 310 HG21 ILE 50 HG21 ILE 50 7.855 15.998 8.387 311 HG22 ILE 50 HG22 ILE 50 6.916 17.409 8.876 312 HG23 ILE 50 HG23 ILE 50 7.107 16.052 9.984 313 HD11 ILE 50 HD11 ILE 50 8.932 16.283 12.373 314 HD12 ILE 50 HD12 ILE 50 9.852 14.820 12.012 315 HD13 ILE 50 HD13 ILE 50 8.245 15.052 11.323 316 H GLU 51 HN GLU 51 9.144 18.603 6.265 317 HA GLU 51 HA GLU 51 7.974 20.085 5.087 318 HB2 GLU 51 HB2 GLU 51 6.048 19.264 7.221 319 HB3 GLU 51 HB1 GLU 51 5.570 20.425 5.993 320 HG2 GLU 51 HG2 GLU 51 4.846 18.291 5.387 321 HG3 GLU 51 HG1 GLU 51 6.095 18.791 4.251 322 H GLU 52 HN GLU 52 9.763 21.234 6.490 323 HA GLU 52 HA GLU 52 10.666 23.147 7.038 324 HB2 GLU 52 HB2 GLU 52 8.018 24.404 6.388 325 HB3 GLU 52 HB1 GLU 52 9.527 25.279 6.603 326 HG2 GLU 52 HG2 GLU 52 8.779 23.391 4.414 327 HG3 GLU 52 HG1 GLU 52 9.190 25.108 4.364 328 H TYR 53 HN TYR 53 8.713 21.621 8.985 329 HA TYR 53 HA TYR 53 8.839 23.603 11.143 330 HB2 TYR 53 HB2 TYR 53 7.778 20.762 11.231 331 HB3 TYR 53 HB1 TYR 53 7.468 22.060 12.370 332 HD1 TYR 53 HD1 TYR 53 6.413 24.241 11.045 333 HD2 TYR 53 HD2 TYR 53 5.962 20.152 9.944 334 HE1 TYR 53 HE1 TYR 53 4.343 24.785 9.857 335 HE2 TYR 53 HE2 TYR 53 3.908 20.688 8.757 336 HH TYR 53 HH TYR 53 2.977 23.840 8.032 337 H LYS 54 HN LYS 54 10.784 23.579 12.246 338 HA LYS 54 HA LYS 54 12.427 21.278 11.882 339 HB2 LYS 54 HB2 LYS 54 14.169 22.373 12.990 340 HB3 LYS 54 HB1 LYS 54 13.447 23.558 11.902 341 HG2 LYS 54 HG2 LYS 54 12.806 23.374 14.799 342 HG3 LYS 54 HG1 LYS 54 14.227 24.245 14.232 343 HD2 LYS 54 HD2 LYS 54 11.360 24.851 13.440 344 HD3 LYS 54 HD1 LYS 54 12.258 25.730 14.672 345 HE2 LYS 54 HE2 LYS 54 13.938 26.353 12.961 346 HE3 LYS 54 HE1 LYS 54 12.958 25.556 11.737 347 HZ1 LYS 54 HZ1 LYS 54 12.596 27.939 11.797 348 HZ2 LYS 54 HZ2 LYS 54 12.080 27.856 13.393 349 HZ3 LYS 54 HZ3 LYS 54 11.177 27.118 12.174 350 H VAL 55 HN VAL 55 13.193 19.981 13.430 351 HA VAL 55 HA VAL 55 11.636 19.806 15.923 352 HB VAL 55 HB VAL 55 12.018 17.528 13.978 353 HG11 VAL 55 HG11 VAL 55 10.564 17.592 16.610 354 HG12 VAL 55 HG12 VAL 55 12.087 16.766 16.263 355 HG13 VAL 55 HG13 VAL 55 10.598 16.241 15.473 356 HG21 VAL 55 HG21 VAL 55 9.549 17.545 13.781 357 HG22 VAL 55 HG22 VAL 55 10.306 19.014 13.159 358 HG23 VAL 55 HG23 VAL 55 9.514 19.031 14.735 359 H PHE 56 HN PHE 56 13.053 19.625 17.534 360 HA PHE 56 HA PHE 56 15.729 18.634 17.003 361 HB2 PHE 56 HB2 PHE 56 15.671 20.733 18.146 362 HB3 PHE 56 HB1 PHE 56 14.502 20.107 19.317 363 HD1 PHE 56 HD2 PHE 56 17.964 19.489 18.076 364 HD2 PHE 56 HD1 PHE 56 15.264 19.379 21.358 365 HE1 PHE 56 HE2 PHE 56 19.793 18.835 19.544 366 HE2 PHE 56 HE1 PHE 56 17.075 18.707 22.845 367 HZ PHE 56 HZ PHE 56 19.370 18.429 21.951 368 H VAL 57 HN VAL 57 16.246 16.643 17.414 369 HA VAL 57 HA VAL 57 14.695 15.103 19.335 370 HB VAL 57 HB VAL 57 16.828 14.216 17.363 371 HG11 VAL 57 HG11 VAL 57 16.828 12.829 19.400 372 HG12 VAL 57 HG12 VAL 57 16.196 11.917 18.028 373 HG13 VAL 57 HG13 VAL 57 15.097 12.575 19.236 374 HG21 VAL 57 HG21 VAL 57 13.859 13.824 17.452 375 HG22 VAL 57 HG22 VAL 57 14.940 13.098 16.268 376 HG23 VAL 57 HG23 VAL 57 14.732 14.864 16.319 377 H ASN 58 HN ASN 58 15.410 14.882 21.263 378 HA ASN 58 HA ASN 58 17.874 15.994 22.144 379 HB2 ASN 58 HB2 ASN 58 15.656 16.003 23.323 380 HB3 ASN 58 HB1 ASN 58 15.903 14.286 23.703 381 HD21 ASN 58 HD21 ASN 58 15.936 14.659 25.913 382 HD22 ASN 58 HD22 ASN 58 17.246 15.490 26.670 383 H GLU 59 HN GLU 59 19.045 14.503 23.810 384 HA GLU 59 HA GLU 59 20.303 12.530 22.115 385 HB2 GLU 59 HB2 GLU 59 21.958 12.078 23.766 386 HB3 GLU 59 HB1 GLU 59 21.748 13.807 23.602 387 HG2 GLU 59 HG2 GLU 59 20.528 12.139 25.740 388 HG3 GLU 59 HG1 GLU 59 22.070 12.968 25.944 389 H ALA 60 HN ALA 60 17.933 12.298 24.424 390 HA ALA 60 HA ALA 60 18.426 9.477 24.778 391 HB1 ALA 60 HB1 ALA 60 16.690 9.525 26.511 392 HB2 ALA 60 HB2 ALA 60 16.420 11.238 26.171 393 HB3 ALA 60 HB3 ALA 60 17.977 10.692 26.811 394 H CYS 61 HN CYS 61 17.422 10.940 22.403 395 HA CYS 61 HA CYS 61 16.114 10.519 20.589 396 HB2 CYS 61 HB2 CYS 61 15.644 7.925 22.011 397 HB3 CYS 61 HB1 CYS 61 15.354 8.263 20.305 398 H HIS 62 HN HIS 62 14.791 12.283 21.328 399 HA HIS 62 HA HIS 62 12.107 11.451 21.068 400 HB2 HIS 62 HB2 HIS 62 12.524 11.385 23.635 401 HB3 HIS 62 HB1 HIS 62 12.595 13.147 23.526 402 HD1 HIS 62 HD1 HIS 62 10.324 14.392 23.258 403 HD2 HIS 62 HD2 HIS 62 10.034 10.258 22.898 404 HE1 HIS 62 HE1 HIS 62 7.871 13.856 23.222 405 HA PRO 63 HA PRO 63 12.603 15.349 19.010 406 HB2 PRO 63 HB2 PRO 63 10.445 15.241 17.516 407 HB3 PRO 63 HB1 PRO 63 11.709 14.007 17.304 408 HG2 PRO 63 HG2 PRO 63 9.139 13.805 18.784 409 HG3 PRO 63 HG1 PRO 63 9.895 12.639 17.662 410 HD2 PRO 63 HD2 PRO 63 10.060 12.470 20.387 411 HD3 PRO 63 HD1 PRO 63 11.233 11.791 19.244 412 H TYR 64 HN TYR 64 11.934 17.373 19.154 413 HA TYR 64 HA TYR 64 9.351 18.045 20.249 414 HB2 TYR 64 HB2 TYR 64 11.977 19.236 21.093 415 HB3 TYR 64 HB1 TYR 64 10.446 20.115 21.268 416 HD1 TYR 64 HD2 TYR 64 12.348 17.285 22.224 417 HD2 TYR 64 HD1 TYR 64 8.849 19.484 22.858 418 HE1 TYR 64 HE2 TYR 64 11.994 16.000 24.361 419 HE2 TYR 64 HE1 TYR 64 8.413 18.253 24.996 420 HH TYR 64 HH TYR 64 10.812 16.204 26.404 421 HA PRO 65 HA PRO 65 8.129 19.560 20.441 422 HB2 PRO 65 HB2 PRO 65 5.942 20.381 19.105 423 HB3 PRO 65 HB1 PRO 65 7.122 21.516 19.803 424 HG2 PRO 65 HG2 PRO 65 6.755 20.651 17.052 425 HG3 PRO 65 HG1 PRO 65 7.269 22.259 17.719 426 HD2 PRO 65 HD2 PRO 65 8.904 20.313 16.554 427 HD3 PRO 65 HD1 PRO 65 9.441 21.669 17.561 428 H VAL 66 HN VAL 66 6.159 18.266 20.643 429 HA VAL 66 HA VAL 66 6.627 15.788 19.270 430 HB VAL 66 HB VAL 66 4.775 16.473 21.566 431 HG11 VAL 66 HG11 VAL 66 5.683 13.775 20.550 432 HG12 VAL 66 HG12 VAL 66 4.056 14.430 20.391 433 HG13 VAL 66 HG13 VAL 66 4.706 14.058 21.989 434 HG21 VAL 66 HG21 VAL 66 7.133 16.872 22.035 435 HG22 VAL 66 HG22 VAL 66 7.536 15.265 21.482 436 HG23 VAL 66 HG23 VAL 66 6.568 15.471 22.946 437 H ILE 67 HN ILE 67 3.954 18.105 19.614 438 HA ILE 67 HA ILE 67 2.795 16.784 17.346 439 HB ILE 67 HB ILE 67 1.511 18.392 19.500 440 HG12 ILE 67 HG12 ILE 67 -0.295 16.802 19.175 441 HG13 ILE 67 HG11 ILE 67 0.602 16.021 17.887 442 HG21 ILE 67 HG21 ILE 67 -0.510 18.831 18.167 443 HG22 ILE 67 HG22 ILE 67 0.339 18.281 16.728 444 HG23 ILE 67 HG23 ILE 67 0.882 19.733 17.559 445 HD11 ILE 67 HD11 ILE 67 2.316 15.406 19.486 446 HD12 ILE 67 HD12 ILE 67 0.712 14.792 19.946 447 HD13 ILE 67 HD13 ILE 67 1.392 16.206 20.770 448 H LEU 68 HN LEU 68 2.826 17.599 15.534 449 HA LEU 68 HA LEU 68 3.904 20.308 15.115 450 HB2 LEU 68 HB2 LEU 68 3.387 18.065 13.156 451 HB3 LEU 68 HB1 LEU 68 4.027 19.627 12.705 452 HG LEU 68 HG LEU 68 5.375 17.511 14.371 453 HD11 LEU 68 HD11 LEU 68 6.990 17.568 12.541 454 HD12 LEU 68 HD12 LEU 68 6.012 18.804 11.748 455 HD13 LEU 68 HD13 LEU 68 5.358 17.178 11.964 456 HD21 LEU 68 HD21 LEU 68 6.333 20.311 13.725 457 HD22 LEU 68 HD22 LEU 68 7.293 19.040 14.484 458 HD23 LEU 68 HD23 LEU 68 5.893 19.703 15.325 459 HA PRO 69 HA PRO 69 -0.014 22.093 14.004 460 HB2 PRO 69 HB2 PRO 69 0.829 22.969 11.370 461 HB3 PRO 69 HB1 PRO 69 0.450 23.973 12.790 462 HG2 PRO 69 HG2 PRO 69 2.953 23.835 11.966 463 HG3 PRO 69 HG1 PRO 69 2.566 23.762 13.707 464 HD2 PRO 69 HD2 PRO 69 3.117 21.498 11.835 465 HD3 PRO 69 HD1 PRO 69 3.901 21.775 13.391 466 H ASP 70 HN ASP 70 1.349 19.902 11.934 467 HA ASP 70 HA ASP 70 -0.889 19.392 10.208 468 HB2 ASP 70 HB2 ASP 70 1.490 19.154 9.504 469 HB3 ASP 70 HB1 ASP 70 1.694 17.886 10.689 470 H ARG 71 HN ARG 71 -0.307 18.891 13.361 471 HA ARG 71 HA ARG 71 -0.832 17.560 15.063 472 HB2 ARG 71 HB2 ARG 71 -3.117 18.046 14.067 473 HB3 ARG 71 HB1 ARG 71 -3.005 16.466 13.297 474 HG2 ARG 71 HG2 ARG 71 -4.295 16.188 15.328 475 HG3 ARG 71 HG1 ARG 71 -2.696 15.459 15.533 476 HD2 ARG 71 HD2 ARG 71 -1.975 17.633 16.634 477 HD3 ARG 71 HD1 ARG 71 -3.681 18.068 16.651 478 HE ARG 71 HE ARG 71 -3.437 15.561 17.779 479 HH11 ARG 71 HH11 ARG 71 -2.619 18.910 18.538 480 HH12 ARG 71 HH12 ARG 71 -2.402 18.648 20.191 481 HH21 ARG 71 HH21 ARG 71 -3.151 15.183 20.123 482 HH22 ARG 71 HH22 ARG 71 -2.740 16.504 21.103 483 H SER 72 HN SER 72 1.103 16.805 13.404 484 HA SER 72 HA SER 72 0.946 13.945 13.390 485 HB2 SER 72 HB2 SER 72 3.435 15.646 12.909 486 HB3 SER 72 HB1 SER 72 3.179 13.922 12.564 487 HG SER 72 HG SER 72 1.323 15.441 11.279 488 H VAL 73 HN VAL 73 1.449 12.804 15.021 489 HA VAL 73 HA VAL 73 2.410 13.792 17.560 490 HB VAL 73 HB VAL 73 0.975 11.428 16.412 491 HG11 VAL 73 HG11 VAL 73 2.323 11.272 19.127 492 HG12 VAL 73 HG12 VAL 73 2.767 10.383 17.660 493 HG13 VAL 73 HG13 VAL 73 1.210 10.083 18.400 494 HG21 VAL 73 HG21 VAL 73 0.500 13.052 18.871 495 HG22 VAL 73 HG22 VAL 73 -0.521 11.739 18.274 496 HG23 VAL 73 HG23 VAL 73 -0.326 13.211 17.311 497 H LEU 74 HN LEU 74 4.600 13.735 17.780 498 HA LEU 74 HA LEU 74 6.032 11.707 16.272 499 HB2 LEU 74 HB2 LEU 74 6.727 14.411 17.164 500 HB3 LEU 74 HB1 LEU 74 8.002 13.213 17.257 501 HG LEU 74 HG LEU 74 7.899 12.788 14.930 502 HD11 LEU 74 HD11 LEU 74 6.373 14.004 13.458 503 HD12 LEU 74 HD12 LEU 74 5.516 14.608 14.911 504 HD13 LEU 74 HD13 LEU 74 5.569 12.885 14.560 505 HD21 LEU 74 HD21 LEU 74 9.203 14.694 15.635 506 HD22 LEU 74 HD22 LEU 74 7.797 15.748 15.471 507 HD23 LEU 74 HD23 LEU 74 8.498 14.979 14.046 508 H SER 75 HN SER 75 6.831 10.066 17.064 509 HA SER 75 HA SER 75 7.383 10.048 19.978 510 HB2 SER 75 HB2 SER 75 6.546 7.720 18.240 511 HB3 SER 75 HB1 SER 75 6.802 7.673 19.993 512 HG SER 75 HG SER 75 5.196 9.681 19.464 513 H GLY 76 HN GLY 76 9.443 9.594 20.609 514 HA2 GLY 76 HA2 GLY 76 11.250 8.665 18.497 515 HA3 GLY 76 HA1 GLY 76 11.704 9.907 19.664 516 H ASP 77 HN ASP 77 12.601 7.073 18.938 517 HA ASP 77 HA ASP 77 13.166 6.243 21.710 518 HB2 ASP 77 HB2 ASP 77 12.140 4.435 19.505 519 HB3 ASP 77 HB1 ASP 77 12.895 3.867 20.980 520 H PHE 78 HN PHE 78 14.968 4.558 21.534 521 HA PHE 78 HA PHE 78 16.941 5.677 19.750 522 HB2 PHE 78 HB2 PHE 78 16.978 3.358 21.589 523 HB3 PHE 78 HB1 PHE 78 18.397 3.804 20.640 524 HD1 PHE 78 HD2 PHE 78 16.112 5.000 23.359 525 HD2 PHE 78 HD1 PHE 78 19.918 5.408 21.481 526 HE1 PHE 78 HE2 PHE 78 16.854 6.460 25.177 527 HE2 PHE 78 HE1 PHE 78 20.658 6.865 23.306 528 HZ PHE 78 HZ PHE 78 19.129 7.397 25.158 529 H THR 79 HN THR 79 17.687 4.710 17.856 530 HA THR 79 HA THR 79 15.837 3.177 16.408 531 HB THR 79 HB THR 79 18.673 3.449 15.711 532 HG1 THR 79 HG1 THR 79 18.380 5.498 15.236 533 HG21 THR 79 HG21 THR 79 16.149 3.549 14.137 534 HG22 THR 79 HG22 THR 79 17.389 2.261 14.127 535 HG23 THR 79 HG23 THR 79 17.758 3.881 13.503 536 H SER 80 HN SER 80 18.422 2.163 18.489 537 HA SER 80 HA SER 80 19.099 -0.217 17.067 538 HB2 SER 80 HB2 SER 80 20.538 1.087 18.721 539 HB3 SER 80 HB1 SER 80 19.577 0.369 19.981 540 HG SER 80 HG SER 80 21.078 -1.159 18.084 541 H ALA 81 HN ALA 81 17.044 0.585 19.789 542 HA ALA 81 HA ALA 81 16.210 -2.081 20.277 543 HB1 ALA 81 HB1 ALA 81 16.224 -0.383 22.069 544 HB2 ALA 81 HB2 ALA 81 14.634 -1.132 21.901 545 HB3 ALA 81 HB3 ALA 81 14.923 0.474 21.243 546 H TYR 82 HN TYR 82 15.685 -0.609 17.789 547 HA TYR 82 HA TYR 82 12.976 -1.533 17.321 548 HB2 TYR 82 HB2 TYR 82 14.226 0.994 16.600 549 HB3 TYR 82 HB1 TYR 82 13.127 0.323 15.399 550 HD1 TYR 82 HD1 TYR 82 13.243 0.995 19.085 551 HD2 TYR 82 HD2 TYR 82 10.982 1.090 15.497 552 HE1 TYR 82 HE1 TYR 82 11.373 2.011 20.292 553 HE2 TYR 82 HE2 TYR 82 9.097 2.109 16.695 554 HH TYR 82 HH TYR 82 9.402 3.443 19.740 555 H ALA 83 HN ALA 83 15.434 -0.138 15.297 556 HA ALA 83 HA ALA 83 15.153 -2.297 13.418 557 HB1 ALA 83 HB1 ALA 83 14.740 -0.111 12.530 558 HB2 ALA 83 HB2 ALA 83 16.309 -0.632 11.883 559 HB3 ALA 83 HB3 ALA 83 16.233 0.500 13.218 560 H ASP 84 HN ASP 84 17.686 -0.155 14.646 561 HA ASP 84 HA ASP 84 19.918 -0.200 14.849 562 HB2 ASP 84 HB2 ASP 84 19.499 -2.203 16.342 563 HB3 ASP 84 HB1 ASP 84 19.688 -3.205 14.909 564 H ASP 85 HN ASP 85 19.084 -3.037 13.055 565 HA ASP 85 HA ASP 85 19.923 -1.994 10.535 566 HB2 ASP 85 HB2 ASP 85 22.008 -3.053 11.411 567 HB3 ASP 85 HB1 ASP 85 21.114 -4.527 11.729 568 H ASP 86 HN ASP 86 17.696 -2.146 10.158 569 HA ASP 86 HA ASP 86 16.261 -4.574 10.861 570 HB2 ASP 86 HB2 ASP 86 15.380 -2.140 11.077 571 HB3 ASP 86 HB1 ASP 86 15.056 -2.255 9.355 572 H GLU 87 HN GLU 87 14.532 -5.226 9.005 573 HA GLU 87 HA GLU 87 16.228 -5.915 6.722 574 HB2 GLU 87 HB2 GLU 87 15.028 -8.059 6.739 575 HB3 GLU 87 HB1 GLU 87 15.979 -7.788 8.211 576 HG2 GLU 87 HG2 GLU 87 13.925 -7.060 9.318 577 HG3 GLU 87 HG1 GLU 87 13.007 -7.472 7.869 578 H SER 88 HN SER 88 14.650 -6.969 4.980 579 HA SER 88 HA SER 88 12.723 -4.966 4.256 580 HB2 SER 88 HB2 SER 88 13.338 -7.655 2.998 581 HB3 SER 88 HB1 SER 88 12.496 -6.307 2.230 582 HG SER 88 HG SER 88 15.136 -6.782 2.510 583 H CYS 89 HN CYS 89 10.574 -5.076 4.783 584 HA CYS 89 HA CYS 89 9.711 -7.294 6.418 585 HB2 CYS 89 HB2 CYS 89 8.197 -4.828 5.569 586 HB3 CYS 89 HB1 CYS 89 7.894 -5.835 6.984 587 HG CYS 89 HG CYS 89 10.421 -5.118 8.152 Start of MODEL 7 1 H GLY 11 HT1 GLY 11 8.902 3.508 -12.947 2 HA2 GLY 11 HA1 GLY 11 8.311 5.029 -11.111 3 HA3 GLY 11 HA2 GLY 11 8.502 3.372 -10.552 4 H ARG 12 HN ARG 12 8.804 5.010 -8.536 5 HA ARG 12 HA ARG 12 11.631 5.662 -8.339 6 HB2 ARG 12 HB2 ARG 12 9.292 6.202 -6.484 7 HB3 ARG 12 HB1 ARG 12 10.939 6.316 -5.917 8 HG2 ARG 12 HG2 ARG 12 9.955 8.495 -6.506 9 HG3 ARG 12 HG1 ARG 12 11.417 8.125 -7.401 10 HD2 ARG 12 HD2 ARG 12 9.715 9.191 -8.815 11 HD3 ARG 12 HD1 ARG 12 10.096 7.569 -9.368 12 HE ARG 12 HE ARG 12 7.952 7.251 -7.729 13 HH11 ARG 12 HH11 ARG 12 8.448 9.347 -10.570 14 HH12 ARG 12 HH12 ARG 12 6.866 9.147 -11.132 15 HH21 ARG 12 HH21 ARG 12 5.808 6.961 -8.565 16 HH22 ARG 12 HH22 ARG 12 5.349 7.770 -9.990 17 H GLU 13 HN GLU 13 12.476 3.783 -8.529 18 HA GLU 13 HA GLU 13 11.670 1.641 -6.730 19 HB2 GLU 13 HB2 GLU 13 12.473 0.167 -8.618 20 HB3 GLU 13 HB1 GLU 13 11.011 1.099 -8.928 21 HG2 GLU 13 HG2 GLU 13 12.482 2.815 -10.054 22 HG3 GLU 13 HG1 GLU 13 13.789 1.641 -9.932 23 H ASN 14 HN ASN 14 13.076 1.692 -5.161 24 HA ASN 14 HA ASN 14 15.914 1.761 -5.836 25 HB2 ASN 14 HB2 ASN 14 16.335 2.003 -3.438 26 HB3 ASN 14 HB1 ASN 14 15.323 3.288 -4.045 27 HD21 ASN 14 HD21 ASN 14 15.608 0.632 -1.866 28 HD22 ASN 14 HD22 ASN 14 14.083 0.793 -1.089 29 H LEU 15 HN LEU 15 17.203 0.163 -4.730 30 HA LEU 15 HA LEU 15 15.923 -2.389 -5.179 31 HB2 LEU 15 HB2 LEU 15 18.789 -1.767 -4.474 32 HB3 LEU 15 HB1 LEU 15 18.177 -3.396 -4.513 33 HG LEU 15 HG LEU 15 19.370 -2.969 -6.546 34 HD11 LEU 15 HD11 LEU 15 17.706 -3.490 -8.221 35 HD12 LEU 15 HD12 LEU 15 16.424 -3.034 -7.106 36 HD13 LEU 15 HD13 LEU 15 17.462 -4.416 -6.741 37 HD21 LEU 15 HD21 LEU 15 18.683 -1.272 -8.173 38 HD22 LEU 15 HD22 LEU 15 19.220 -0.551 -6.656 39 HD23 LEU 15 HD23 LEU 15 17.499 -0.655 -7.019 40 H TYR 16 HN TYR 16 16.243 -4.186 -3.559 41 HA TYR 16 HA TYR 16 15.025 -3.129 -1.186 42 HB2 TYR 16 HB2 TYR 16 14.151 -5.146 -2.429 43 HB3 TYR 16 HB1 TYR 16 15.539 -6.039 -1.825 44 HD1 TYR 16 HD2 TYR 16 12.642 -4.016 -0.648 45 HD2 TYR 16 HD1 TYR 16 15.341 -7.189 0.196 46 HE1 TYR 16 HE2 TYR 16 11.352 -4.563 1.374 47 HE2 TYR 16 HE1 TYR 16 14.054 -7.742 2.218 48 HH TYR 16 HH TYR 16 10.983 -6.560 2.815 49 H PHE 17 HN PHE 17 16.830 -2.015 -0.598 50 HA PHE 17 HA PHE 17 19.215 -3.225 0.374 51 HB2 PHE 17 HB2 PHE 17 19.048 -0.958 -0.556 52 HB3 PHE 17 HB1 PHE 17 18.013 -0.471 0.774 53 HD1 PHE 17 HD1 PHE 17 21.299 -2.240 0.555 54 HD2 PHE 17 HD2 PHE 17 19.103 1.070 2.059 55 HE1 PHE 17 HE1 PHE 17 23.308 -1.425 1.697 56 HE2 PHE 17 HE2 PHE 17 21.111 1.892 3.217 57 HZ PHE 17 HZ PHE 17 23.225 0.646 3.032 58 H GLN 18 HN GLN 18 18.613 -4.719 1.762 59 HA GLN 18 HA GLN 18 17.415 -3.935 4.298 60 HB2 GLN 18 HB2 GLN 18 15.697 -4.867 2.780 61 HB3 GLN 18 HB1 GLN 18 16.667 -6.312 2.599 62 HG2 GLN 18 HG2 GLN 18 14.932 -6.832 4.072 63 HG3 GLN 18 HG1 GLN 18 16.400 -6.678 5.038 64 HE21 GLN 18 HE21 GLN 18 15.149 -6.365 6.892 65 HE22 GLN 18 HE22 GLN 18 14.302 -4.899 7.221 66 H GLY 19 HN GLY 19 18.618 -4.826 5.951 67 HA2 GLY 19 HA2 GLY 19 19.866 -6.498 7.014 68 HA3 GLY 19 HA1 GLY 19 20.057 -7.309 5.463 69 H HIS 20 HN HIS 20 20.615 -3.930 5.861 70 HA HIS 20 HA HIS 20 23.211 -3.725 6.644 71 HB2 HIS 20 HB2 HIS 20 23.727 -4.939 4.447 72 HB3 HIS 20 HB1 HIS 20 22.965 -3.598 3.605 73 HD1 HIS 20 HD1 HIS 20 26.147 -4.596 5.274 74 HD2 HIS 20 HD2 HIS 20 24.421 -1.169 3.685 75 HE1 HIS 20 HE1 HIS 20 28.019 -2.934 4.997 76 H MET 21 HN MET 21 22.694 -1.859 7.547 77 HA MET 21 HA MET 21 21.654 0.346 5.932 78 HB2 MET 21 HB2 MET 21 20.440 -0.639 8.514 79 HB3 MET 21 HB1 MET 21 20.215 0.963 7.867 80 HG2 MET 21 HG2 MET 21 18.290 -0.205 7.423 81 HG3 MET 21 HG1 MET 21 19.145 -0.089 5.894 82 HE1 MET 21 HE1 MET 21 16.935 -3.389 6.032 83 HE2 MET 21 HE2 MET 21 17.281 -1.956 5.056 84 HE3 MET 21 HE3 MET 21 16.673 -1.780 6.699 85 H ALA 22 HN ALA 22 21.596 2.279 7.421 86 HA ALA 22 HA ALA 22 23.261 2.224 9.728 87 HB1 ALA 22 HB1 ALA 22 24.863 3.919 8.996 88 HB2 ALA 22 HB2 ALA 22 24.140 3.924 7.385 89 HB3 ALA 22 HB3 ALA 22 24.982 2.490 7.969 90 H TRP 23 HN TRP 23 21.203 2.662 10.501 91 HA TRP 23 HA TRP 23 19.987 5.176 9.904 92 HB2 TRP 23 HB2 TRP 23 19.299 3.085 12.030 93 HB3 TRP 23 HB1 TRP 23 18.486 4.629 11.801 94 HD1 TRP 23 HD1 TRP 23 19.478 2.030 9.307 95 HE1 TRP 23 HE1 TRP 23 17.367 1.442 7.829 96 HE3 TRP 23 HE3 TRP 23 16.139 4.880 11.707 97 HZ2 TRP 23 HZ2 TRP 23 14.607 2.219 7.818 98 HZ3 TRP 23 HZ3 TRP 23 13.795 4.917 10.960 99 HH2 TRP 23 HH2 TRP 23 13.065 3.596 9.057 100 H LYS 24 HN LYS 24 19.326 6.421 12.000 101 HA LYS 24 HA LYS 24 21.866 7.324 13.121 102 HB2 LYS 24 HB2 LYS 24 19.156 8.600 13.250 103 HB3 LYS 24 HB1 LYS 24 20.689 9.287 13.745 104 HG2 LYS 24 HG2 LYS 24 21.520 9.355 11.497 105 HG3 LYS 24 HG1 LYS 24 20.047 8.567 10.885 106 HD2 LYS 24 HD2 LYS 24 18.735 10.437 11.670 107 HD3 LYS 24 HD1 LYS 24 20.172 11.202 12.329 108 HE2 LYS 24 HE2 LYS 24 21.055 11.449 10.051 109 HE3 LYS 24 HE1 LYS 24 19.595 10.671 9.416 110 HZ1 LYS 24 HZ1 LYS 24 19.574 13.112 11.080 111 HZ2 LYS 24 HZ2 LYS 24 18.254 12.468 10.220 112 HZ3 LYS 24 HZ3 LYS 24 19.552 13.153 9.395 113 H ASP 25 HN ASP 25 21.118 8.460 15.363 114 HA ASP 25 HA ASP 25 21.338 6.185 17.055 115 HB2 ASP 25 HB2 ASP 25 21.132 9.070 17.614 116 HB3 ASP 25 HB1 ASP 25 21.539 7.969 18.918 117 H CYS 26 HN CYS 26 18.914 8.487 16.337 118 HA CYS 26 HA CYS 26 17.036 7.273 18.296 119 HB2 CYS 26 HB2 CYS 26 17.245 10.085 17.348 120 HB3 CYS 26 HB1 CYS 26 16.089 9.499 18.541 121 H ILE 27 HN ILE 27 15.031 6.924 17.608 122 HA ILE 27 HA ILE 27 14.556 7.352 14.755 123 HB ILE 27 HB ILE 27 14.900 4.931 15.432 124 HG12 ILE 27 HG12 ILE 27 12.090 4.989 14.564 125 HG13 ILE 27 HG11 ILE 27 13.161 5.920 13.537 126 HG21 ILE 27 HG21 ILE 27 13.153 3.756 16.510 127 HG22 ILE 27 HG22 ILE 27 12.353 5.304 16.859 128 HG23 ILE 27 HG23 ILE 27 13.952 4.948 17.552 129 HD11 ILE 27 HD11 ILE 27 12.867 3.593 12.778 130 HD12 ILE 27 HD12 ILE 27 13.636 3.029 14.290 131 HD13 ILE 27 HD13 ILE 27 14.519 4.016 13.146 132 H ILE 28 HN ILE 28 12.686 8.257 14.176 133 HA ILE 28 HA ILE 28 10.995 9.106 16.396 134 HB ILE 28 HB ILE 28 11.741 10.754 13.969 135 HG12 ILE 28 HG12 ILE 28 13.734 10.572 15.303 136 HG13 ILE 28 HG11 ILE 28 13.066 12.181 15.513 137 HG21 ILE 28 HG21 ILE 28 9.584 11.340 14.825 138 HG22 ILE 28 HG22 ILE 28 10.729 12.635 15.189 139 HG23 ILE 28 HG23 ILE 28 10.234 11.503 16.454 140 HD11 ILE 28 HD11 ILE 28 12.849 9.898 17.465 141 HD12 ILE 28 HD12 ILE 28 12.195 11.517 17.718 142 HD13 ILE 28 HD13 ILE 28 13.937 11.269 17.593 143 H GLN 29 HN GLN 29 9.020 8.417 16.054 144 HA GLN 29 HA GLN 29 8.188 7.499 13.405 145 HB2 GLN 29 HB2 GLN 29 6.925 7.186 16.127 146 HB3 GLN 29 HB1 GLN 29 6.340 6.450 14.646 147 HG2 GLN 29 HG2 GLN 29 8.471 5.163 14.502 148 HG3 GLN 29 HG1 GLN 29 8.951 5.900 16.016 149 HE21 GLN 29 HE21 GLN 29 8.312 3.074 15.218 150 HE22 GLN 29 HE22 GLN 29 7.183 2.558 16.412 151 H ARG 30 HN ARG 30 6.805 8.746 12.217 152 HA ARG 30 HA ARG 30 5.607 11.022 13.551 153 HB2 ARG 30 HB2 ARG 30 6.906 11.327 11.477 154 HB3 ARG 30 HB1 ARG 30 5.699 10.357 10.623 155 HG2 ARG 30 HG2 ARG 30 3.992 12.075 11.566 156 HG3 ARG 30 HG1 ARG 30 5.495 12.986 11.883 157 HD2 ARG 30 HD2 ARG 30 5.986 13.272 9.658 158 HD3 ARG 30 HD1 ARG 30 4.932 11.924 9.180 159 HE ARG 30 HE ARG 30 3.749 14.363 10.290 160 HH11 ARG 30 HH11 ARG 30 4.172 12.211 7.447 161 HH12 ARG 30 HH12 ARG 30 2.999 13.006 6.561 162 HH21 ARG 30 HH21 ARG 30 2.107 15.449 8.968 163 HH22 ARG 30 HH22 ARG 30 1.850 14.859 7.408 164 H TYR 31 HN TYR 31 3.600 10.554 14.335 165 HA TYR 31 HA TYR 31 1.879 8.638 12.985 166 HB2 TYR 31 HB2 TYR 31 1.798 10.002 15.599 167 HB3 TYR 31 HB1 TYR 31 0.380 9.141 14.989 168 HD1 TYR 31 HD2 TYR 31 3.970 8.768 15.895 169 HD2 TYR 31 HD1 TYR 31 0.189 6.882 15.488 170 HE1 TYR 31 HE2 TYR 31 4.859 6.779 16.989 171 HE2 TYR 31 HE1 TYR 31 1.054 4.883 16.587 172 HH TYR 31 HH TYR 31 4.035 4.899 18.225 173 H LYS 32 HN LYS 32 0.585 9.438 11.471 174 HA LYS 32 HA LYS 32 -0.285 12.187 11.757 175 HB2 LYS 32 HB2 LYS 32 1.106 11.091 9.786 176 HB3 LYS 32 HB1 LYS 32 -0.532 10.697 9.275 177 HG2 LYS 32 HG2 LYS 32 0.601 13.444 9.758 178 HG3 LYS 32 HG1 LYS 32 0.371 12.625 8.209 179 HD2 LYS 32 HD2 LYS 32 -1.456 14.021 8.206 180 HD3 LYS 32 HD1 LYS 32 -2.148 12.608 8.987 181 HE2 LYS 32 HE2 LYS 32 -1.845 13.628 11.167 182 HE3 LYS 32 HE1 LYS 32 -1.040 15.016 10.430 183 HZ1 LYS 32 HZ1 LYS 32 -3.852 14.188 9.928 184 HZ2 LYS 32 HZ2 LYS 32 -3.088 15.523 9.253 185 HZ3 LYS 32 HZ3 LYS 32 -3.385 15.496 10.902 186 H ASP 33 HN ASP 33 -2.268 12.268 12.340 187 HA ASP 33 HA ASP 33 -4.331 11.785 12.969 188 HB2 ASP 33 HB2 ASP 33 -4.360 10.496 10.325 189 HB3 ASP 33 HB1 ASP 33 -5.831 10.585 11.303 190 H GLY 34 HN GLY 34 -2.379 10.120 13.993 191 HA2 GLY 34 HA2 GLY 34 -2.825 8.767 15.858 192 HA3 GLY 34 HA1 GLY 34 -4.269 8.202 15.010 193 H ASP 35 HN ASP 35 -2.132 7.842 12.581 194 HA ASP 35 HA ASP 35 -1.111 5.395 13.718 195 HB2 ASP 35 HB2 ASP 35 -1.265 4.353 11.576 196 HB3 ASP 35 HB1 ASP 35 -2.866 4.716 12.189 197 H VAL 36 HN VAL 36 0.771 4.706 12.813 198 HA VAL 36 HA VAL 36 2.507 6.931 12.474 199 HB VAL 36 HB VAL 36 3.282 5.042 13.762 200 HG11 VAL 36 HG11 VAL 36 2.179 3.245 12.596 201 HG12 VAL 36 HG12 VAL 36 3.901 2.908 12.766 202 HG13 VAL 36 HG13 VAL 36 3.245 3.459 11.213 203 HG21 VAL 36 HG21 VAL 36 4.909 5.470 11.274 204 HG22 VAL 36 HG22 VAL 36 5.519 4.807 12.803 205 HG23 VAL 36 HG23 VAL 36 4.918 6.468 12.727 206 H ASN 37 HN ASN 37 2.728 7.983 10.761 207 HA ASN 37 HA ASN 37 1.913 6.927 8.192 208 HB2 ASN 37 HB2 ASN 37 1.207 9.155 8.927 209 HB3 ASN 37 HB1 ASN 37 2.909 9.630 8.895 210 HD21 ASN 37 HD21 ASN 37 1.225 7.584 6.589 211 HD22 ASN 37 HD22 ASN 37 1.390 8.647 5.251 212 H ASN 38 HN ASN 38 4.724 8.660 9.540 213 HA ASN 38 HA ASN 38 6.370 7.416 7.501 214 HB2 ASN 38 HB2 ASN 38 6.643 10.076 8.849 215 HB3 ASN 38 HB1 ASN 38 7.874 9.355 7.814 216 HD21 ASN 38 HD21 ASN 38 7.436 9.163 5.577 217 HD22 ASN 38 HD22 ASN 38 6.276 10.173 4.809 218 H ILE 39 HN ILE 39 8.570 7.085 8.145 219 HA ILE 39 HA ILE 39 8.996 7.082 11.033 220 HB ILE 39 HB ILE 39 9.110 4.791 9.638 221 HG12 ILE 39 HG12 ILE 39 11.005 4.003 11.002 222 HG13 ILE 39 HG11 ILE 39 11.291 5.654 11.536 223 HG21 ILE 39 HG21 ILE 39 11.855 5.916 9.171 224 HG22 ILE 39 HG22 ILE 39 10.635 5.755 7.910 225 HG23 ILE 39 HG23 ILE 39 11.282 4.307 8.722 226 HD11 ILE 39 HD11 ILE 39 8.809 4.020 12.015 227 HD12 ILE 39 HD12 ILE 39 9.050 5.687 12.536 228 HD13 ILE 39 HD13 ILE 39 10.058 4.399 13.197 229 H TYR 40 HN TYR 40 11.049 7.887 11.574 230 HA TYR 40 HA TYR 40 12.707 9.167 9.597 231 HB2 TYR 40 HB2 TYR 40 11.570 10.819 11.936 232 HB3 TYR 40 HB1 TYR 40 12.796 11.297 10.787 233 HD1 TYR 40 HD2 TYR 40 12.223 11.665 8.419 234 HD2 TYR 40 HD1 TYR 40 9.191 11.131 11.371 235 HE1 TYR 40 HE2 TYR 40 10.572 12.636 6.900 236 HE2 TYR 40 HE1 TYR 40 7.556 12.095 9.845 237 HH TYR 40 HH TYR 40 7.505 13.643 7.828 238 H THR 41 HN THR 41 14.704 9.936 10.794 239 HA THR 41 HA THR 41 15.019 8.867 13.376 240 HB THR 41 HB THR 41 15.472 6.859 12.450 241 HG1 THR 41 HG1 THR 41 17.117 7.372 13.796 242 HG21 THR 41 HG21 THR 41 16.915 6.421 10.461 243 HG22 THR 41 HG22 THR 41 17.040 8.156 10.167 244 HG23 THR 41 HG23 THR 41 15.476 7.333 10.086 245 H ALA 42 HN ALA 42 16.750 9.728 14.376 246 HA ALA 42 HA ALA 42 18.154 11.922 13.030 247 HB1 ALA 42 HB1 ALA 42 17.564 13.467 14.830 248 HB2 ALA 42 HB2 ALA 42 16.545 12.230 15.560 249 HB3 ALA 42 HB3 ALA 42 16.117 12.907 13.987 250 H ASN 43 HN ASN 43 20.067 12.419 14.058 251 HA ASN 43 HA ASN 43 21.168 10.396 15.792 252 HB2 ASN 43 HB2 ASN 43 22.215 13.067 14.825 253 HB3 ASN 43 HB1 ASN 43 23.139 12.008 15.879 254 HD21 ASN 43 HD21 ASN 43 23.529 12.979 13.085 255 HD22 ASN 43 HD22 ASN 43 23.770 11.550 12.135 256 H ARG 44 HN ARG 44 21.870 10.783 18.051 257 HA ARG 44 HA ARG 44 20.185 12.302 19.576 258 HB2 ARG 44 HB2 ARG 44 22.343 12.242 21.182 259 HB3 ARG 44 HB1 ARG 44 21.188 10.939 20.934 260 HG2 ARG 44 HG2 ARG 44 22.608 9.711 19.680 261 HG3 ARG 44 HG1 ARG 44 23.652 11.015 19.213 262 HD2 ARG 44 HD2 ARG 44 24.413 11.105 21.625 263 HD3 ARG 44 HD1 ARG 44 23.405 9.685 21.918 264 HE ARG 44 HE ARG 44 25.019 9.073 19.778 265 HH11 ARG 44 HH11 ARG 44 25.582 9.908 23.193 266 HH12 ARG 44 HH12 ARG 44 27.000 8.963 23.295 267 HH21 ARG 44 HH21 ARG 44 26.935 7.829 19.957 268 HH22 ARG 44 HH22 ARG 44 27.767 7.711 21.433 269 H ASN 45 HN ASN 45 19.908 14.229 19.803 270 HA ASN 45 HA ASN 45 20.033 16.422 19.987 271 HB2 ASN 45 HB2 ASN 45 22.992 16.423 19.853 272 HB3 ASN 45 HB1 ASN 45 21.904 17.582 20.634 273 HD21 ASN 45 HD21 ASN 45 20.891 16.950 22.640 274 HD22 ASN 45 HD22 ASN 45 21.658 15.759 23.637 275 H GLU 46 HN GLU 46 19.162 15.873 17.815 276 HA GLU 46 HA GLU 46 20.605 17.417 15.905 277 HB2 GLU 46 HB2 GLU 46 21.312 15.235 15.277 278 HB3 GLU 46 HB1 GLU 46 19.692 14.575 15.465 279 HG2 GLU 46 HG2 GLU 46 18.911 15.767 13.573 280 HG3 GLU 46 HG1 GLU 46 20.420 16.678 13.531 281 H GLU 47 HN GLU 47 19.340 18.698 14.823 282 HA GLU 47 HA GLU 47 16.496 18.560 15.205 283 HB2 GLU 47 HB2 GLU 47 17.516 20.634 15.753 284 HB3 GLU 47 HB1 GLU 47 18.415 20.662 14.245 285 HG2 GLU 47 HG2 GLU 47 16.239 20.972 13.074 286 HG3 GLU 47 HG1 GLU 47 15.478 21.128 14.665 287 H ILE 48 HN ILE 48 15.425 17.502 13.725 288 HA ILE 48 HA ILE 48 16.397 17.311 11.010 289 HB ILE 48 HB ILE 48 14.544 15.713 10.682 290 HG12 ILE 48 HG12 ILE 48 13.933 16.215 13.605 291 HG13 ILE 48 HG11 ILE 48 12.949 16.600 12.199 292 HG21 ILE 48 HG21 ILE 48 16.292 15.004 13.022 293 HG22 ILE 48 HG22 ILE 48 16.668 14.775 11.304 294 HG23 ILE 48 HG23 ILE 48 15.360 13.868 12.053 295 HD11 ILE 48 HD11 ILE 48 12.109 14.629 13.355 296 HD12 ILE 48 HD12 ILE 48 13.648 13.807 13.053 297 HD13 ILE 48 HD13 ILE 48 12.617 14.279 11.700 298 H THR 49 HN THR 49 14.218 17.281 9.500 299 HA THR 49 HA THR 49 12.441 19.390 10.348 300 HB THR 49 HB THR 49 13.143 19.218 7.511 301 HG1 THR 49 HG1 THR 49 14.961 19.807 9.477 302 HG21 THR 49 HG21 THR 49 12.752 21.664 7.637 303 HG22 THR 49 HG22 THR 49 12.555 21.505 9.380 304 HG23 THR 49 HG23 THR 49 11.404 20.729 8.295 305 H ILE 50 HN ILE 50 10.374 18.910 9.838 306 HA ILE 50 HA ILE 50 9.843 16.639 8.078 307 HB ILE 50 HB ILE 50 8.406 17.360 10.644 308 HG12 ILE 50 HG12 ILE 50 9.927 14.872 9.891 309 HG13 ILE 50 HG11 ILE 50 10.581 16.197 10.849 310 HG21 ILE 50 HG21 ILE 50 7.804 15.174 8.650 311 HG22 ILE 50 HG22 ILE 50 6.822 16.606 8.947 312 HG23 ILE 50 HG23 ILE 50 7.003 15.385 10.211 313 HD11 ILE 50 HD11 ILE 50 8.833 15.797 12.517 314 HD12 ILE 50 HD12 ILE 50 9.861 14.377 12.287 315 HD13 ILE 50 HD13 ILE 50 8.245 14.433 11.567 316 H GLU 51 HN GLU 51 8.947 17.750 6.316 317 HA GLU 51 HA GLU 51 7.823 19.272 5.078 318 HB2 GLU 51 HB2 GLU 51 5.801 18.708 7.219 319 HB3 GLU 51 HB1 GLU 51 5.449 19.782 5.884 320 HG2 GLU 51 HG2 GLU 51 4.549 17.767 5.277 321 HG3 GLU 51 HG1 GLU 51 6.053 17.871 4.375 322 H GLU 52 HN GLU 52 9.630 20.557 6.306 323 HA GLU 52 HA GLU 52 10.424 22.545 6.838 324 HB2 GLU 52 HB2 GLU 52 7.661 23.481 6.169 325 HB3 GLU 52 HB1 GLU 52 8.977 24.589 6.534 326 HG2 GLU 52 HG2 GLU 52 8.860 22.639 4.267 327 HG3 GLU 52 HG1 GLU 52 8.745 24.412 4.260 328 H TYR 53 HN TYR 53 8.474 20.971 8.852 329 HA TYR 53 HA TYR 53 8.587 22.998 10.956 330 HB2 TYR 53 HB2 TYR 53 7.594 20.133 11.096 331 HB3 TYR 53 HB1 TYR 53 7.297 21.418 12.259 332 HD1 TYR 53 HD2 TYR 53 6.275 23.612 10.944 333 HD2 TYR 53 HD1 TYR 53 5.712 19.537 9.865 334 HE1 TYR 53 HE2 TYR 53 4.206 24.214 9.775 335 HE2 TYR 53 HE1 TYR 53 3.651 20.122 8.689 336 HH TYR 53 HH TYR 53 2.796 23.338 8.004 337 H LYS 54 HN LYS 54 10.496 23.108 12.068 338 HA LYS 54 HA LYS 54 12.295 20.908 11.772 339 HB2 LYS 54 HB2 LYS 54 13.984 22.230 12.636 340 HB3 LYS 54 HB1 LYS 54 12.991 23.374 11.740 341 HG2 LYS 54 HG2 LYS 54 12.892 22.952 14.699 342 HG3 LYS 54 HG1 LYS 54 13.890 24.173 13.912 343 HD2 LYS 54 HD2 LYS 54 11.823 25.222 13.029 344 HD3 LYS 54 HD1 LYS 54 10.862 23.988 13.850 345 HE2 LYS 54 HE2 LYS 54 11.751 24.744 16.004 346 HE3 LYS 54 HE1 LYS 54 12.695 25.984 15.184 347 HZ1 LYS 54 HZ1 LYS 54 10.592 26.981 14.428 348 HZ2 LYS 54 HZ2 LYS 54 10.677 26.913 16.103 349 HZ3 LYS 54 HZ3 LYS 54 9.727 25.810 15.274 350 H VAL 55 HN VAL 55 13.171 19.783 13.421 351 HA VAL 55 HA VAL 55 11.636 19.614 15.921 352 HB VAL 55 HB VAL 55 12.110 17.305 14.017 353 HG11 VAL 55 HG11 VAL 55 10.814 17.300 16.729 354 HG12 VAL 55 HG12 VAL 55 12.386 16.605 16.307 355 HG13 VAL 55 HG13 VAL 55 10.911 15.928 15.615 356 HG21 VAL 55 HG21 VAL 55 9.540 18.573 14.930 357 HG22 VAL 55 HG22 VAL 55 9.671 17.124 13.927 358 HG23 VAL 55 HG23 VAL 55 10.244 18.681 13.317 359 H PHE 56 HN PHE 56 13.119 19.587 17.539 360 HA PHE 56 HA PHE 56 15.833 18.681 16.983 361 HB2 PHE 56 HB2 PHE 56 15.655 20.866 18.022 362 HB3 PHE 56 HB1 PHE 56 14.614 20.205 19.294 363 HD1 PHE 56 HD1 PHE 56 18.018 19.871 17.834 364 HD2 PHE 56 HD2 PHE 56 15.542 19.471 21.270 365 HE1 PHE 56 HE1 PHE 56 19.989 19.358 19.182 366 HE2 PHE 56 HE2 PHE 56 17.494 18.962 22.637 367 HZ PHE 56 HZ PHE 56 19.745 18.895 21.602 368 H VAL 57 HN VAL 57 16.330 16.696 17.413 369 HA VAL 57 HA VAL 57 14.782 15.242 19.406 370 HB VAL 57 HB VAL 57 16.796 14.231 17.373 371 HG11 VAL 57 HG11 VAL 57 16.747 12.829 19.390 372 HG12 VAL 57 HG12 VAL 57 16.036 11.986 18.017 373 HG13 VAL 57 HG13 VAL 57 14.998 12.690 19.256 374 HG21 VAL 57 HG21 VAL 57 13.802 14.021 17.491 375 HG22 VAL 57 HG22 VAL 57 14.843 13.255 16.292 376 HG23 VAL 57 HG23 VAL 57 14.731 15.019 16.365 377 H ASN 58 HN ASN 58 15.507 15.070 21.299 378 HA ASN 58 HA ASN 58 18.045 15.997 22.154 379 HB2 ASN 58 HB2 ASN 58 16.000 16.291 23.458 380 HB3 ASN 58 HB1 ASN 58 15.815 14.536 23.615 381 HD21 ASN 58 HD21 ASN 58 15.827 14.636 25.867 382 HD22 ASN 58 HD22 ASN 58 17.230 15.023 26.773 383 H GLU 59 HN GLU 59 19.242 14.629 23.693 384 HA GLU 59 HA GLU 59 20.492 12.502 22.287 385 HB2 GLU 59 HB2 GLU 59 21.973 12.355 24.276 386 HB3 GLU 59 HB1 GLU 59 21.862 13.944 23.537 387 HG2 GLU 59 HG2 GLU 59 20.140 14.499 25.281 388 HG3 GLU 59 HG1 GLU 59 20.592 12.996 26.084 389 H ALA 60 HN ALA 60 17.845 12.371 24.327 390 HA ALA 60 HA ALA 60 18.404 9.596 24.915 391 HB1 ALA 60 HB1 ALA 60 16.532 9.678 26.468 392 HB2 ALA 60 HB2 ALA 60 16.249 11.371 26.047 393 HB3 ALA 60 HB3 ALA 60 17.760 10.885 26.857 394 H CYS 61 HN CYS 61 17.464 11.097 22.427 395 HA CYS 61 HA CYS 61 16.198 10.663 20.577 396 HB2 CYS 61 HB2 CYS 61 15.752 8.033 21.965 397 HB3 CYS 61 HB1 CYS 61 15.503 8.375 20.253 398 H HIS 62 HN HIS 62 14.968 12.413 21.508 399 HA HIS 62 HA HIS 62 12.217 11.618 21.503 400 HB2 HIS 62 HB2 HIS 62 12.925 11.616 23.939 401 HB3 HIS 62 HB1 HIS 62 13.301 13.328 23.759 402 HD1 HIS 62 HD1 HIS 62 11.477 14.612 24.893 403 HD2 HIS 62 HD2 HIS 62 10.053 11.338 22.772 404 HE1 HIS 62 HE1 HIS 62 8.971 14.669 25.138 405 HA PRO 63 HA PRO 63 12.618 15.313 19.050 406 HB2 PRO 63 HB2 PRO 63 10.260 15.188 17.846 407 HB3 PRO 63 HB1 PRO 63 11.498 13.953 17.529 408 HG2 PRO 63 HG2 PRO 63 9.089 13.771 19.268 409 HG3 PRO 63 HG1 PRO 63 9.785 12.571 18.160 410 HD2 PRO 63 HD2 PRO 63 10.197 12.571 20.868 411 HD3 PRO 63 HD1 PRO 63 11.267 11.838 19.660 412 H TYR 64 HN TYR 64 12.205 17.385 19.331 413 HA TYR 64 HA TYR 64 9.683 18.167 20.471 414 HB2 TYR 64 HB2 TYR 64 12.359 19.251 21.205 415 HB3 TYR 64 HB1 TYR 64 10.947 20.324 21.233 416 HD1 TYR 64 HD1 TYR 64 9.028 19.766 22.656 417 HD2 TYR 64 HD2 TYR 64 12.682 17.692 22.794 418 HE1 TYR 64 HE1 TYR 64 8.405 18.889 24.902 419 HE2 TYR 64 HE2 TYR 64 12.110 16.774 25.057 420 HH TYR 64 HH TYR 64 8.996 16.936 26.309 421 HA PRO 65 HA PRO 65 8.335 19.465 20.568 422 HB2 PRO 65 HB2 PRO 65 6.108 20.155 19.270 423 HB3 PRO 65 HB1 PRO 65 7.243 21.379 19.888 424 HG2 PRO 65 HG2 PRO 65 6.891 20.355 17.163 425 HG3 PRO 65 HG1 PRO 65 7.235 22.029 17.741 426 HD2 PRO 65 HD2 PRO 65 9.092 20.273 16.665 427 HD3 PRO 65 HD1 PRO 65 9.468 21.664 17.699 428 H VAL 66 HN VAL 66 6.538 18.031 20.793 429 HA VAL 66 HA VAL 66 6.889 15.588 19.298 430 HB VAL 66 HB VAL 66 5.180 16.295 21.706 431 HG11 VAL 66 HG11 VAL 66 5.817 13.588 20.547 432 HG12 VAL 66 HG12 VAL 66 4.241 14.374 20.516 433 HG13 VAL 66 HG13 VAL 66 4.959 13.885 22.056 434 HG21 VAL 66 HG21 VAL 66 7.808 14.840 21.478 435 HG22 VAL 66 HG22 VAL 66 6.910 15.087 22.976 436 HG23 VAL 66 HG23 VAL 66 7.575 16.464 22.093 437 H ILE 67 HN ILE 67 4.322 17.988 19.813 438 HA ILE 67 HA ILE 67 3.002 16.742 17.595 439 HB ILE 67 HB ILE 67 1.906 18.302 19.866 440 HG12 ILE 67 HG12 ILE 67 0.023 16.830 19.582 441 HG13 ILE 67 HG11 ILE 67 0.720 16.141 18.130 442 HG21 ILE 67 HG21 ILE 67 -0.120 19.000 18.675 443 HG22 ILE 67 HG22 ILE 67 0.600 18.464 17.158 444 HG23 ILE 67 HG23 ILE 67 1.315 19.807 18.038 445 HD11 ILE 67 HD11 ILE 67 1.835 15.947 20.912 446 HD12 ILE 67 HD12 ILE 67 2.544 15.251 19.444 447 HD13 ILE 67 HD13 ILE 67 0.973 14.680 20.026 448 H LEU 68 HN LEU 68 2.955 17.599 15.778 449 HA LEU 68 HA LEU 68 4.351 20.143 15.361 450 HB2 LEU 68 HB2 LEU 68 3.244 18.166 13.364 451 HB3 LEU 68 HB1 LEU 68 4.142 19.601 12.932 452 HG LEU 68 HG LEU 68 5.174 17.165 14.369 453 HD11 LEU 68 HD11 LEU 68 6.629 17.025 12.426 454 HD12 LEU 68 HD12 LEU 68 5.867 18.480 11.773 455 HD13 LEU 68 HD13 LEU 68 4.918 17.002 11.956 456 HD21 LEU 68 HD21 LEU 68 6.595 19.770 13.802 457 HD22 LEU 68 HD22 LEU 68 7.356 18.291 14.385 458 HD23 LEU 68 HD23 LEU 68 6.192 19.134 15.399 459 HA PRO 69 HA PRO 69 0.681 22.620 14.658 460 HB2 PRO 69 HB2 PRO 69 1.454 23.622 12.065 461 HB3 PRO 69 HB1 PRO 69 1.446 24.502 13.607 462 HG2 PRO 69 HG2 PRO 69 3.754 23.955 12.385 463 HG3 PRO 69 HG1 PRO 69 3.590 23.903 14.161 464 HD2 PRO 69 HD2 PRO 69 3.502 21.641 12.207 465 HD3 PRO 69 HD1 PRO 69 4.467 21.697 13.678 466 H ASP 70 HN ASP 70 1.695 20.489 12.407 467 HA ASP 70 HA ASP 70 -0.575 20.282 10.667 468 HB2 ASP 70 HB2 ASP 70 1.620 19.929 9.778 469 HB3 ASP 70 HB1 ASP 70 2.043 18.844 11.081 470 H ARG 71 HN ARG 71 0.178 19.467 13.734 471 HA ARG 71 HA ARG 71 -0.138 17.921 15.223 472 HB2 ARG 71 HB2 ARG 71 -2.240 19.007 15.420 473 HB3 ARG 71 HB1 ARG 71 -2.903 18.081 14.086 474 HG2 ARG 71 HG2 ARG 71 -3.367 16.290 15.346 475 HG3 ARG 71 HG1 ARG 71 -1.938 16.534 16.348 476 HD2 ARG 71 HD2 ARG 71 -4.260 18.420 16.516 477 HD3 ARG 71 HD1 ARG 71 -4.296 16.892 17.394 478 HE ARG 71 HE ARG 71 -2.173 17.616 18.413 479 HH11 ARG 71 HH11 ARG 71 -4.309 20.159 17.182 480 HH12 ARG 71 HH12 ARG 71 -3.932 21.253 18.426 481 HH21 ARG 71 HH21 ARG 71 -1.652 19.177 20.130 482 HH22 ARG 71 HH22 ARG 71 -2.451 20.670 20.123 483 H SER 72 HN SER 72 1.352 16.995 13.822 484 HA SER 72 HA SER 72 0.598 14.240 13.532 485 HB2 SER 72 HB2 SER 72 3.085 15.730 12.627 486 HB3 SER 72 HB1 SER 72 2.894 13.965 12.536 487 HG SER 72 HG SER 72 1.677 15.935 10.933 488 H VAL 73 HN VAL 73 1.352 12.837 14.835 489 HA VAL 73 HA VAL 73 2.282 13.716 17.436 490 HB VAL 73 HB VAL 73 0.791 11.413 16.249 491 HG11 VAL 73 HG11 VAL 73 2.158 11.205 18.942 492 HG12 VAL 73 HG12 VAL 73 2.576 10.303 17.480 493 HG13 VAL 73 HG13 VAL 73 1.013 10.042 18.234 494 HG21 VAL 73 HG21 VAL 73 -0.682 11.763 18.124 495 HG22 VAL 73 HG22 VAL 73 -0.431 13.247 17.197 496 HG23 VAL 73 HG23 VAL 73 0.396 13.010 18.745 497 H LEU 74 HN LEU 74 4.454 13.631 17.722 498 HA LEU 74 HA LEU 74 5.885 11.584 16.251 499 HB2 LEU 74 HB2 LEU 74 6.641 14.236 17.298 500 HB3 LEU 74 HB1 LEU 74 7.846 12.966 17.387 501 HG LEU 74 HG LEU 74 7.969 12.739 15.051 502 HD11 LEU 74 HD11 LEU 74 6.539 13.885 13.480 503 HD12 LEU 74 HD12 LEU 74 5.558 14.532 14.815 504 HD13 LEU 74 HD13 LEU 74 5.620 12.797 14.514 505 HD21 LEU 74 HD21 LEU 74 9.114 14.661 15.971 506 HD22 LEU 74 HD22 LEU 74 7.679 15.659 15.718 507 HD23 LEU 74 HD23 LEU 74 8.541 14.981 14.335 508 H SER 75 HN SER 75 6.814 10.046 17.081 509 HA SER 75 HA SER 75 7.076 9.865 20.028 510 HB2 SER 75 HB2 SER 75 6.517 7.593 18.092 511 HB3 SER 75 HB1 SER 75 6.701 7.434 19.838 512 HG SER 75 HG SER 75 4.983 9.092 19.893 513 H GLY 76 HN GLY 76 9.053 9.210 20.819 514 HA2 GLY 76 HA2 GLY 76 11.100 8.814 18.738 515 HA3 GLY 76 HA1 GLY 76 11.311 9.958 20.054 516 H ASP 77 HN ASP 77 12.499 7.175 19.109 517 HA ASP 77 HA ASP 77 13.185 6.472 21.852 518 HB2 ASP 77 HB2 ASP 77 12.016 4.495 19.885 519 HB3 ASP 77 HB1 ASP 77 13.073 3.996 21.184 520 H PHE 78 HN PHE 78 15.001 4.849 21.724 521 HA PHE 78 HA PHE 78 16.944 5.821 19.853 522 HB2 PHE 78 HB2 PHE 78 16.883 3.578 21.769 523 HB3 PHE 78 HB1 PHE 78 18.268 3.763 20.690 524 HD1 PHE 78 HD1 PHE 78 16.371 5.350 23.535 525 HD2 PHE 78 HD2 PHE 78 19.986 5.357 21.241 526 HE1 PHE 78 HE1 PHE 78 17.423 6.838 25.155 527 HE2 PHE 78 HE2 PHE 78 21.009 6.843 22.877 528 HZ PHE 78 HZ PHE 78 19.733 7.588 24.837 529 H THR 79 HN THR 79 17.664 4.834 17.945 530 HA THR 79 HA THR 79 15.801 3.321 16.462 531 HB THR 79 HB THR 79 18.657 3.555 15.835 532 HG1 THR 79 HG1 THR 79 18.446 5.606 15.412 533 HG21 THR 79 HG21 THR 79 16.196 3.771 14.174 534 HG22 THR 79 HG22 THR 79 17.357 2.419 14.221 535 HG23 THR 79 HG23 THR 79 17.848 4.007 13.604 536 H SER 80 HN SER 80 18.282 2.381 18.646 537 HA SER 80 HA SER 80 19.080 -0.039 17.438 538 HB2 SER 80 HB2 SER 80 19.823 -0.362 19.923 539 HB3 SER 80 HB1 SER 80 20.633 0.855 18.905 540 HG SER 80 HG SER 80 20.084 2.119 20.472 541 H ALA 81 HN ALA 81 16.426 0.895 19.409 542 HA ALA 81 HA ALA 81 15.739 -1.875 19.861 543 HB1 ALA 81 HB1 ALA 81 14.498 0.614 21.054 544 HB2 ALA 81 HB2 ALA 81 15.696 -0.414 21.839 545 HB3 ALA 81 HB3 ALA 81 14.082 -1.041 21.502 546 H TYR 82 HN TYR 82 15.529 -0.402 17.366 547 HA TYR 82 HA TYR 82 12.868 -1.080 16.539 548 HB2 TYR 82 HB2 TYR 82 14.048 1.595 16.639 549 HB3 TYR 82 HB1 TYR 82 12.963 1.240 15.305 550 HD1 TYR 82 HD1 TYR 82 13.295 1.850 18.900 551 HD2 TYR 82 HD2 TYR 82 10.597 0.962 15.760 552 HE1 TYR 82 HE1 TYR 82 11.430 2.450 20.348 553 HE2 TYR 82 HE2 TYR 82 8.706 1.564 17.194 554 HH TYR 82 HH TYR 82 9.202 3.164 20.192 555 H ALA 83 HN ALA 83 13.015 0.035 13.972 556 HA ALA 83 HA ALA 83 13.958 0.292 12.044 557 HB1 ALA 83 HB1 ALA 83 16.196 0.871 11.788 558 HB2 ALA 83 HB2 ALA 83 16.624 0.164 13.355 559 HB3 ALA 83 HB3 ALA 83 15.601 1.602 13.279 560 H ASP 84 HN ASP 84 14.075 -0.684 10.481 561 HA ASP 84 HA ASP 84 14.948 -3.379 10.348 562 HB2 ASP 84 HB2 ASP 84 14.357 -1.352 8.182 563 HB3 ASP 84 HB1 ASP 84 15.053 -2.919 7.800 564 H ASP 85 HN ASP 85 16.827 -3.158 11.372 565 HA ASP 85 HA ASP 85 19.079 -2.323 9.647 566 HB2 ASP 85 HB2 ASP 85 18.911 -0.859 11.644 567 HB3 ASP 85 HB1 ASP 85 18.949 -2.282 12.676 568 H ASP 86 HN ASP 86 20.993 -3.770 9.887 569 HA ASP 86 HA ASP 86 20.010 -6.470 10.072 570 HB2 ASP 86 HB2 ASP 86 21.510 -5.771 8.208 571 HB3 ASP 86 HB1 ASP 86 22.809 -5.595 9.379 572 H GLU 87 HN GLU 87 19.615 -6.784 12.171 573 HA GLU 87 HA GLU 87 21.778 -6.713 14.095 574 HB2 GLU 87 HB2 GLU 87 18.929 -7.468 14.242 575 HB3 GLU 87 HB1 GLU 87 20.004 -7.602 15.642 576 HG2 GLU 87 HG2 GLU 87 20.369 -5.157 15.505 577 HG3 GLU 87 HG1 GLU 87 19.221 -5.084 14.165 578 H SER 88 HN SER 88 22.773 -8.547 14.872 579 HA SER 88 HA SER 88 21.860 -11.080 13.764 580 HB2 SER 88 HB2 SER 88 24.362 -11.702 14.016 581 HB3 SER 88 HB1 SER 88 23.894 -10.679 12.656 582 HG SER 88 HG SER 88 24.738 -8.965 13.614 583 H CYS 89 HN CYS 89 22.508 -12.944 15.177 584 HA CYS 89 HA CYS 89 22.110 -12.146 17.946 585 HB2 CYS 89 HB2 CYS 89 21.249 -14.545 18.145 586 HB3 CYS 89 HB1 CYS 89 20.258 -13.427 17.218 587 HG CYS 89 HG CYS 89 22.507 -15.192 15.479 Start of MODEL 8 1 H GLY 11 HT1 GLY 11 3.030 -0.412 -4.748 2 HA2 GLY 11 HA1 GLY 11 3.743 -2.910 -3.344 3 HA3 GLY 11 HA2 GLY 11 2.502 -2.779 -4.588 4 H ARG 12 HN ARG 12 5.451 -3.856 -4.155 5 HA ARG 12 HA ARG 12 7.282 -4.252 -5.293 6 HB2 ARG 12 HB2 ARG 12 5.631 -3.565 -7.721 7 HB3 ARG 12 HB1 ARG 12 7.241 -4.281 -7.775 8 HG2 ARG 12 HG2 ARG 12 6.438 -6.225 -6.593 9 HG3 ARG 12 HG1 ARG 12 4.843 -5.483 -6.451 10 HD2 ARG 12 HD2 ARG 12 6.251 -6.216 -9.016 11 HD3 ARG 12 HD1 ARG 12 4.924 -7.118 -8.286 12 HE ARG 12 HE ARG 12 4.107 -4.479 -8.667 13 HH11 ARG 12 HH11 ARG 12 4.984 -7.273 -10.628 14 HH12 ARG 12 HH12 ARG 12 3.970 -6.850 -11.930 15 HH21 ARG 12 HH21 ARG 12 2.731 -3.903 -10.457 16 HH22 ARG 12 HH22 ARG 12 2.678 -4.922 -11.842 17 H GLU 13 HN GLU 13 8.092 -2.672 -4.187 18 HA GLU 13 HA GLU 13 9.463 -0.665 -5.685 19 HB2 GLU 13 HB2 GLU 13 7.312 0.471 -5.250 20 HB3 GLU 13 HB1 GLU 13 7.493 0.143 -3.539 21 HG2 GLU 13 HG2 GLU 13 9.460 1.580 -3.462 22 HG3 GLU 13 HG1 GLU 13 9.292 1.899 -5.189 23 H ASN 14 HN ASN 14 11.344 -1.317 -4.955 24 HA ASN 14 HA ASN 14 11.736 -1.580 -2.057 25 HB2 ASN 14 HB2 ASN 14 13.645 -3.074 -2.611 26 HB3 ASN 14 HB1 ASN 14 12.087 -3.749 -3.048 27 HD21 ASN 14 HD21 ASN 14 15.120 -2.480 -4.235 28 HD22 ASN 14 HD22 ASN 14 14.914 -2.968 -5.873 29 H LEU 15 HN LEU 15 13.971 -1.096 -1.412 30 HA LEU 15 HA LEU 15 14.916 1.263 -2.833 31 HB2 LEU 15 HB2 LEU 15 15.892 -0.052 -0.283 32 HB3 LEU 15 HB1 LEU 15 16.644 1.349 -0.992 33 HG LEU 15 HG LEU 15 15.297 2.030 0.869 34 HD11 LEU 15 HD11 LEU 15 15.417 3.576 -0.975 35 HD12 LEU 15 HD12 LEU 15 13.851 3.683 -0.168 36 HD13 LEU 15 HD13 LEU 15 13.987 2.844 -1.709 37 HD21 LEU 15 HD21 LEU 15 13.674 0.229 0.978 38 HD22 LEU 15 HD22 LEU 15 12.940 0.775 -0.527 39 HD23 LEU 15 HD23 LEU 15 12.848 1.789 0.912 40 H TYR 16 HN TYR 16 17.390 1.342 -3.275 41 HA TYR 16 HA TYR 16 17.782 -0.948 -4.939 42 HB2 TYR 16 HB2 TYR 16 18.316 1.263 -5.841 43 HB3 TYR 16 HB1 TYR 16 19.578 1.461 -4.631 44 HD1 TYR 16 HD2 TYR 16 18.550 -0.676 -7.475 45 HD2 TYR 16 HD1 TYR 16 21.762 0.721 -5.082 46 HE1 TYR 16 HE2 TYR 16 20.146 -1.752 -9.009 47 HE2 TYR 16 HE1 TYR 16 23.370 -0.349 -6.599 48 HH TYR 16 HH TYR 16 23.450 -2.104 -8.203 49 H PHE 17 HN PHE 17 17.917 -2.459 -3.412 50 HA PHE 17 HA PHE 17 18.869 -4.029 -2.153 51 HB2 PHE 17 HB2 PHE 17 21.339 -3.305 -3.723 52 HB3 PHE 17 HB1 PHE 17 21.055 -4.829 -2.881 53 HD1 PHE 17 HD2 PHE 17 18.829 -6.047 -3.533 54 HD2 PHE 17 HD1 PHE 17 20.809 -3.190 -5.977 55 HE1 PHE 17 HE2 PHE 17 17.645 -6.926 -5.509 56 HE2 PHE 17 HE1 PHE 17 19.629 -4.051 -7.951 57 HZ PHE 17 HZ PHE 17 18.044 -5.924 -7.720 58 H GLN 18 HN GLN 18 18.457 -2.502 -0.475 59 HA GLN 18 HA GLN 18 20.633 -1.110 0.739 60 HB2 GLN 18 HB2 GLN 18 18.333 -0.260 0.833 61 HB3 GLN 18 HB1 GLN 18 17.828 -1.691 1.705 62 HG2 GLN 18 HG2 GLN 18 18.069 0.305 3.135 63 HG3 GLN 18 HG1 GLN 18 19.113 -1.029 3.628 64 HE21 GLN 18 HE21 GLN 18 21.269 -0.766 3.604 65 HE22 GLN 18 HE22 GLN 18 22.083 0.685 3.157 66 H GLY 19 HN GLY 19 22.185 -2.394 1.400 67 HA2 GLY 19 HA2 GLY 19 21.742 -4.893 2.715 68 HA3 GLY 19 HA1 GLY 19 23.290 -4.065 2.539 69 H HIS 20 HN HIS 20 20.521 -4.528 4.420 70 HA HIS 20 HA HIS 20 19.924 -4.184 6.481 71 HB2 HIS 20 HB2 HIS 20 22.859 -3.933 6.917 72 HB3 HIS 20 HB1 HIS 20 21.732 -3.618 8.237 73 HD1 HIS 20 HD1 HIS 20 23.245 -6.426 6.291 74 HD2 HIS 20 HD2 HIS 20 20.161 -5.820 9.014 75 HE1 HIS 20 HE1 HIS 20 22.526 -8.704 7.072 76 H MET 21 HN MET 21 19.441 -2.795 8.127 77 HA MET 21 HA MET 21 18.891 -0.212 7.121 78 HB2 MET 21 HB2 MET 21 17.581 0.051 9.189 79 HB3 MET 21 HB1 MET 21 17.180 -1.420 8.330 80 HG2 MET 21 HG2 MET 21 18.911 -1.238 10.796 81 HG3 MET 21 HG1 MET 21 17.215 -1.701 10.766 82 HE1 MET 21 HE1 MET 21 19.027 -5.025 11.702 83 HE2 MET 21 HE2 MET 21 17.779 -3.861 12.152 84 HE3 MET 21 HE3 MET 21 19.479 -3.391 12.192 85 H ALA 22 HN ALA 22 20.407 1.216 7.088 86 HA ALA 22 HA ALA 22 22.151 1.538 9.430 87 HB1 ALA 22 HB1 ALA 22 22.494 2.624 6.627 88 HB2 ALA 22 HB2 ALA 22 23.344 1.233 7.302 89 HB3 ALA 22 HB3 ALA 22 23.627 2.844 7.961 90 H TRP 23 HN TRP 23 20.871 2.667 10.741 91 HA TRP 23 HA TRP 23 19.617 5.112 9.709 92 HB2 TRP 23 HB2 TRP 23 18.703 3.250 11.935 93 HB3 TRP 23 HB1 TRP 23 18.039 4.857 11.623 94 HD1 TRP 23 HD1 TRP 23 18.853 2.230 9.093 95 HE1 TRP 23 HE1 TRP 23 16.691 1.683 7.705 96 HE3 TRP 23 HE3 TRP 23 15.556 5.016 11.693 97 HZ2 TRP 23 HZ2 TRP 23 13.990 2.388 7.794 98 HZ3 TRP 23 HZ3 TRP 23 13.211 5.013 11.011 99 HH2 TRP 23 HH2 TRP 23 12.446 3.717 9.094 100 H LYS 24 HN LYS 24 19.062 6.524 11.821 101 HA LYS 24 HA LYS 24 21.666 7.184 12.964 102 HB2 LYS 24 HB2 LYS 24 19.030 8.635 13.079 103 HB3 LYS 24 HB1 LYS 24 20.542 9.187 13.743 104 HG2 LYS 24 HG2 LYS 24 21.567 9.498 11.697 105 HG3 LYS 24 HG1 LYS 24 20.294 8.637 10.810 106 HD2 LYS 24 HD2 LYS 24 18.743 10.398 11.251 107 HD3 LYS 24 HD1 LYS 24 19.872 11.139 12.384 108 HE2 LYS 24 HE2 LYS 24 20.577 10.794 9.504 109 HE3 LYS 24 HE1 LYS 24 19.644 12.194 10.048 110 HZ1 LYS 24 HZ1 LYS 24 22.343 11.408 11.038 111 HZ2 LYS 24 HZ2 LYS 24 21.422 12.732 11.567 112 HZ3 LYS 24 HZ3 LYS 24 21.999 12.683 9.979 113 H ASP 25 HN ASP 25 21.027 8.298 15.195 114 HA ASP 25 HA ASP 25 20.971 5.947 16.774 115 HB2 ASP 25 HB2 ASP 25 21.763 8.660 17.226 116 HB3 ASP 25 HB1 ASP 25 21.172 7.926 18.715 117 H CYS 26 HN CYS 26 18.778 8.472 16.204 118 HA CYS 26 HA CYS 26 16.863 7.305 18.151 119 HB2 CYS 26 HB2 CYS 26 17.197 10.137 17.301 120 HB3 CYS 26 HB1 CYS 26 16.010 9.580 18.471 121 H ILE 27 HN ILE 27 14.854 7.036 17.491 122 HA ILE 27 HA ILE 27 14.443 7.517 14.645 123 HB ILE 27 HB ILE 27 14.685 5.101 15.264 124 HG12 ILE 27 HG12 ILE 27 11.863 5.453 14.394 125 HG13 ILE 27 HG11 ILE 27 13.142 6.092 13.366 126 HG21 ILE 27 HG21 ILE 27 12.910 3.940 16.381 127 HG22 ILE 27 HG22 ILE 27 12.145 5.496 16.754 128 HG23 ILE 27 HG23 ILE 27 13.734 5.107 17.430 129 HD11 ILE 27 HD11 ILE 27 12.431 3.793 12.772 130 HD12 ILE 27 HD12 ILE 27 13.105 3.242 14.343 131 HD13 ILE 27 HD13 ILE 27 14.123 4.007 13.134 132 H ILE 28 HN ILE 28 12.714 8.593 14.038 133 HA ILE 28 HA ILE 28 11.075 9.563 16.241 134 HB ILE 28 HB ILE 28 11.886 11.064 13.733 135 HG12 ILE 28 HG12 ILE 28 13.838 10.862 15.082 136 HG13 ILE 28 HG11 ILE 28 13.217 12.491 15.310 137 HG21 ILE 28 HG21 ILE 28 9.728 11.803 14.528 138 HG22 ILE 28 HG22 ILE 28 10.943 13.049 14.835 139 HG23 ILE 28 HG23 ILE 28 10.377 12.019 16.152 140 HD11 ILE 28 HD11 ILE 28 12.269 11.796 17.483 141 HD12 ILE 28 HD12 ILE 28 14.014 11.536 17.399 142 HD13 ILE 28 HD13 ILE 28 12.925 10.176 17.223 143 H GLN 29 HN GLN 29 9.091 9.138 16.048 144 HA GLN 29 HA GLN 29 8.081 7.766 13.669 145 HB2 GLN 29 HB2 GLN 29 7.003 7.958 16.467 146 HB3 GLN 29 HB1 GLN 29 6.638 6.711 15.275 147 HG2 GLN 29 HG2 GLN 29 8.821 5.776 15.474 148 HG3 GLN 29 HG1 GLN 29 9.391 7.168 16.373 149 HE21 GLN 29 HE21 GLN 29 9.602 4.483 17.105 150 HE22 GLN 29 HE22 GLN 29 8.816 4.332 18.636 151 H ARG 30 HN ARG 30 6.856 9.117 12.368 152 HA ARG 30 HA ARG 30 5.534 11.326 13.687 153 HB2 ARG 30 HB2 ARG 30 6.857 11.640 11.590 154 HB3 ARG 30 HB1 ARG 30 5.621 10.686 10.752 155 HG2 ARG 30 HG2 ARG 30 3.939 12.379 11.671 156 HG3 ARG 30 HG1 ARG 30 5.414 13.267 12.128 157 HD2 ARG 30 HD2 ARG 30 6.013 13.746 10.008 158 HD3 ARG 30 HD1 ARG 30 5.006 12.489 9.274 159 HE ARG 30 HE ARG 30 3.867 14.813 10.668 160 HH11 ARG 30 HH11 ARG 30 4.038 12.893 7.650 161 HH12 ARG 30 HH12 ARG 30 2.905 13.890 6.869 162 HH21 ARG 30 HH21 ARG 30 2.238 16.034 9.549 163 HH22 ARG 30 HH22 ARG 30 1.883 15.638 7.927 164 H TYR 31 HN TYR 31 3.602 10.765 14.480 165 HA TYR 31 HA TYR 31 2.055 8.632 13.270 166 HB2 TYR 31 HB2 TYR 31 2.007 10.004 15.872 167 HB3 TYR 31 HB1 TYR 31 0.616 9.027 15.364 168 HD1 TYR 31 HD2 TYR 31 4.134 9.129 16.386 169 HD2 TYR 31 HD1 TYR 31 0.813 6.635 15.515 170 HE1 TYR 31 HE2 TYR 31 5.287 7.265 17.414 171 HE2 TYR 31 HE1 TYR 31 1.937 4.745 16.546 172 HH TYR 31 HH TYR 31 4.702 5.133 18.482 173 H LYS 32 HN LYS 32 0.014 8.979 12.567 174 HA LYS 32 HA LYS 32 -1.139 11.564 12.710 175 HB2 LYS 32 HB2 LYS 32 0.536 11.819 10.957 176 HB3 LYS 32 HB1 LYS 32 -0.141 10.394 10.203 177 HG2 LYS 32 HG2 LYS 32 -0.562 12.709 9.312 178 HG3 LYS 32 HG1 LYS 32 -1.906 11.523 9.313 179 HD2 LYS 32 HD2 LYS 32 -2.763 12.703 11.322 180 HD3 LYS 32 HD1 LYS 32 -1.354 13.768 11.305 181 HE2 LYS 32 HE2 LYS 32 -3.381 14.840 10.361 182 HE3 LYS 32 HE1 LYS 32 -2.055 14.752 9.219 183 HZ1 LYS 32 HZ1 LYS 32 -3.121 12.876 8.149 184 HZ2 LYS 32 HZ2 LYS 32 -4.190 14.164 8.210 185 HZ3 LYS 32 HZ3 LYS 32 -4.356 12.866 9.297 186 H ASP 33 HN ASP 33 -3.054 11.101 13.138 187 HA ASP 33 HA ASP 33 -5.034 10.220 13.384 188 HB2 ASP 33 HB2 ASP 33 -4.561 9.279 10.641 189 HB3 ASP 33 HB1 ASP 33 -6.116 9.037 11.448 190 H GLY 34 HN GLY 34 -3.035 8.805 14.579 191 HA2 GLY 34 HA2 GLY 34 -3.481 7.102 16.135 192 HA3 GLY 34 HA1 GLY 34 -4.583 6.409 14.946 193 H ASP 35 HN ASP 35 -2.014 6.903 13.052 194 HA ASP 35 HA ASP 35 -0.573 4.562 13.958 195 HB2 ASP 35 HB2 ASP 35 -0.486 3.824 11.637 196 HB3 ASP 35 HB1 ASP 35 -2.105 3.660 12.318 197 H VAL 36 HN VAL 36 1.400 4.364 12.915 198 HA VAL 36 HA VAL 36 2.646 6.928 12.719 199 HB VAL 36 HB VAL 36 3.822 5.109 13.843 200 HG11 VAL 36 HG11 VAL 36 4.848 3.252 12.646 201 HG12 VAL 36 HG12 VAL 36 4.033 3.771 11.165 202 HG13 VAL 36 HG13 VAL 36 3.087 3.213 12.535 203 HG21 VAL 36 HG21 VAL 36 5.239 6.091 11.389 204 HG22 VAL 36 HG22 VAL 36 6.026 5.412 12.822 205 HG23 VAL 36 HG23 VAL 36 5.108 6.918 12.940 206 H ASN 37 HN ASN 37 2.548 8.083 10.983 207 HA ASN 37 HA ASN 37 1.720 6.882 8.480 208 HB2 ASN 37 HB2 ASN 37 0.784 9.002 9.350 209 HB3 ASN 37 HB1 ASN 37 2.349 9.724 8.919 210 HD21 ASN 37 HD21 ASN 37 -0.557 8.270 7.710 211 HD22 ASN 37 HD22 ASN 37 -0.421 8.766 6.080 212 H ASN 38 HN ASN 38 4.427 8.761 9.763 213 HA ASN 38 HA ASN 38 6.042 7.764 7.580 214 HB2 ASN 38 HB2 ASN 38 6.250 10.443 8.909 215 HB3 ASN 38 HB1 ASN 38 7.329 9.803 7.678 216 HD21 ASN 38 HD21 ASN 38 6.564 9.645 5.492 217 HD22 ASN 38 HD22 ASN 38 5.206 10.553 4.960 218 H ILE 39 HN ILE 39 8.223 7.438 8.195 219 HA ILE 39 HA ILE 39 8.713 7.617 11.061 220 HB ILE 39 HB ILE 39 8.699 5.236 9.885 221 HG12 ILE 39 HG12 ILE 39 10.671 4.495 11.182 222 HG13 ILE 39 HG11 ILE 39 11.001 6.178 11.584 223 HG21 ILE 39 HG21 ILE 39 11.449 6.167 9.157 224 HG22 ILE 39 HG22 ILE 39 10.135 6.014 7.995 225 HG23 ILE 39 HG23 ILE 39 10.746 4.573 8.853 226 HD11 ILE 39 HD11 ILE 39 9.836 5.089 13.403 227 HD12 ILE 39 HD12 ILE 39 8.540 4.602 12.314 228 HD13 ILE 39 HD13 ILE 39 8.794 6.308 12.671 229 H TYR 40 HN TYR 40 10.863 8.298 11.490 230 HA TYR 40 HA TYR 40 12.507 9.404 9.403 231 HB2 TYR 40 HB2 TYR 40 11.666 11.283 11.714 232 HB3 TYR 40 HB1 TYR 40 12.711 11.579 10.364 233 HD1 TYR 40 HD2 TYR 40 11.972 12.269 8.261 234 HD2 TYR 40 HD1 TYR 40 9.061 11.249 11.216 235 HE1 TYR 40 HE2 TYR 40 10.221 13.264 6.885 236 HE2 TYR 40 HE1 TYR 40 7.329 12.244 9.822 237 HH TYR 40 HH TYR 40 7.146 14.069 7.897 238 H THR 41 HN THR 41 14.589 10.128 10.583 239 HA THR 41 HA THR 41 14.819 9.144 13.209 240 HB THR 41 HB THR 41 15.212 7.078 12.397 241 HG1 THR 41 HG1 THR 41 16.882 7.604 13.705 242 HG21 THR 41 HG21 THR 41 16.609 6.452 10.462 243 HG22 THR 41 HG22 THR 41 16.794 8.160 10.038 244 HG23 THR 41 HG23 THR 41 15.199 7.388 10.050 245 H ALA 42 HN ALA 42 16.628 9.882 14.237 246 HA ALA 42 HA ALA 42 18.166 12.010 12.942 247 HB1 ALA 42 HB1 ALA 42 17.614 13.532 14.788 248 HB2 ALA 42 HB2 ALA 42 16.520 12.320 15.444 249 HB3 ALA 42 HB3 ALA 42 16.158 13.078 13.893 250 H ASN 43 HN ASN 43 20.097 12.427 14.205 251 HA ASN 43 HA ASN 43 20.864 10.258 15.937 252 HB2 ASN 43 HB2 ASN 43 22.246 12.827 15.171 253 HB3 ASN 43 HB1 ASN 43 22.904 11.706 16.355 254 HD21 ASN 43 HD21 ASN 43 23.960 12.617 13.818 255 HD22 ASN 43 HD22 ASN 43 24.255 11.206 12.876 256 H ARG 44 HN ARG 44 21.554 10.556 18.117 257 HA ARG 44 HA ARG 44 19.973 12.071 19.798 258 HB2 ARG 44 HB2 ARG 44 22.167 11.650 21.325 259 HB3 ARG 44 HB1 ARG 44 20.968 10.410 20.936 260 HG2 ARG 44 HG2 ARG 44 22.298 9.498 19.268 261 HG3 ARG 44 HG1 ARG 44 23.468 10.781 19.299 262 HD2 ARG 44 HD2 ARG 44 24.158 10.028 21.539 263 HD3 ARG 44 HD1 ARG 44 22.892 8.788 21.496 264 HE ARG 44 HE ARG 44 24.255 8.367 19.214 265 HH11 ARG 44 HH11 ARG 44 25.254 8.385 22.589 266 HH12 ARG 44 HH12 ARG 44 26.588 7.365 22.324 267 HH21 ARG 44 HH21 ARG 44 25.915 6.949 18.858 268 HH22 ARG 44 HH22 ARG 44 26.989 6.507 20.103 269 H ASN 45 HN ASN 45 19.822 14.123 19.942 270 HA ASN 45 HA ASN 45 20.186 16.264 20.238 271 HB2 ASN 45 HB2 ASN 45 23.107 15.668 20.262 272 HB3 ASN 45 HB1 ASN 45 22.351 17.228 20.655 273 HD21 ASN 45 HD21 ASN 45 24.040 15.219 22.154 274 HD22 ASN 45 HD22 ASN 45 23.221 14.975 23.645 275 H GLU 46 HN GLU 46 19.431 15.622 17.956 276 HA GLU 46 HA GLU 46 21.000 17.193 16.142 277 HB2 GLU 46 HB2 GLU 46 21.581 15.041 15.356 278 HB3 GLU 46 HB1 GLU 46 19.958 14.412 15.612 279 HG2 GLU 46 HG2 GLU 46 19.097 15.600 13.769 280 HG3 GLU 46 HG1 GLU 46 20.554 16.574 13.689 281 H GLU 47 HN GLU 47 19.822 18.574 14.947 282 HA GLU 47 HA GLU 47 16.974 18.432 15.352 283 HB2 GLU 47 HB2 GLU 47 18.037 20.475 16.163 284 HB3 GLU 47 HB1 GLU 47 18.748 20.751 14.577 285 HG2 GLU 47 HG2 GLU 47 16.556 21.197 13.663 286 HG3 GLU 47 HG1 GLU 47 15.803 20.806 15.214 287 H ILE 48 HN ILE 48 16.023 17.449 13.825 288 HA ILE 48 HA ILE 48 17.024 17.409 11.125 289 HB ILE 48 HB ILE 48 15.058 15.939 10.676 290 HG12 ILE 48 HG12 ILE 48 14.510 16.256 13.631 291 HG13 ILE 48 HG11 ILE 48 13.526 16.729 12.254 292 HG21 ILE 48 HG21 ILE 48 16.843 14.923 12.859 293 HG22 ILE 48 HG22 ILE 48 17.113 14.825 11.105 294 HG23 ILE 48 HG23 ILE 48 15.785 13.950 11.846 295 HD11 ILE 48 HD11 ILE 48 12.664 14.714 13.316 296 HD12 ILE 48 HD12 ILE 48 14.186 13.884 12.943 297 HD13 ILE 48 HD13 ILE 48 13.144 14.453 11.636 298 H THR 49 HN THR 49 14.919 17.482 9.574 299 HA THR 49 HA THR 49 13.129 19.527 10.500 300 HB THR 49 HB THR 49 14.049 19.446 7.735 301 HG1 THR 49 HG1 THR 49 15.963 19.948 8.945 302 HG21 THR 49 HG21 THR 49 13.348 21.841 7.719 303 HG22 THR 49 HG22 THR 49 12.895 21.656 9.414 304 HG23 THR 49 HG23 THR 49 12.065 20.715 8.175 305 H ILE 50 HN ILE 50 11.208 18.933 10.103 306 HA ILE 50 HA ILE 50 10.704 16.666 8.321 307 HB ILE 50 HB ILE 50 9.327 17.412 10.909 308 HG12 ILE 50 HG12 ILE 50 10.614 14.849 10.011 309 HG13 ILE 50 HG11 ILE 50 11.347 16.043 11.076 310 HG21 ILE 50 HG21 ILE 50 8.415 15.362 8.901 311 HG22 ILE 50 HG22 ILE 50 7.590 16.865 9.308 312 HG23 ILE 50 HG23 ILE 50 7.742 15.586 10.515 313 HD11 ILE 50 HD11 ILE 50 9.548 15.633 12.718 314 HD12 ILE 50 HD12 ILE 50 10.377 14.116 12.346 315 HD13 ILE 50 HD13 ILE 50 8.813 14.480 11.625 316 H GLU 51 HN GLU 51 9.956 17.846 6.511 317 HA GLU 51 HA GLU 51 8.455 18.993 5.242 318 HB2 GLU 51 HB2 GLU 51 6.767 18.509 7.706 319 HB3 GLU 51 HB1 GLU 51 6.128 19.027 6.134 320 HG2 GLU 51 HG2 GLU 51 6.849 17.174 5.080 321 HG3 GLU 51 HG1 GLU 51 7.889 16.627 6.385 322 H GLU 52 HN GLU 52 10.308 20.397 6.628 323 HA GLU 52 HA GLU 52 11.081 22.397 7.082 324 HB2 GLU 52 HB2 GLU 52 8.477 23.365 5.941 325 HB3 GLU 52 HB1 GLU 52 9.816 24.438 6.337 326 HG2 GLU 52 HG2 GLU 52 9.794 22.248 4.302 327 HG3 GLU 52 HG1 GLU 52 9.888 24.009 4.093 328 H TYR 53 HN TYR 53 9.282 20.917 8.986 329 HA TYR 53 HA TYR 53 9.071 23.041 11.011 330 HB2 TYR 53 HB2 TYR 53 8.214 20.123 11.181 331 HB3 TYR 53 HB1 TYR 53 7.707 21.446 12.219 332 HD1 TYR 53 HD1 TYR 53 6.686 23.444 10.534 333 HD2 TYR 53 HD2 TYR 53 6.402 19.240 9.956 334 HE1 TYR 53 HE1 TYR 53 4.634 23.763 9.207 335 HE2 TYR 53 HE2 TYR 53 4.369 19.558 8.634 336 HH TYR 53 HH TYR 53 3.393 22.561 7.452 337 H LYS 54 HN LYS 54 11.063 23.224 12.035 338 HA LYS 54 HA LYS 54 12.843 21.020 11.801 339 HB2 LYS 54 HB2 LYS 54 14.550 22.317 12.579 340 HB3 LYS 54 HB1 LYS 54 13.517 23.525 11.819 341 HG2 LYS 54 HG2 LYS 54 13.642 22.911 14.744 342 HG3 LYS 54 HG1 LYS 54 14.610 24.152 13.954 343 HD2 LYS 54 HD2 LYS 54 12.466 25.296 13.338 344 HD3 LYS 54 HD1 LYS 54 11.590 24.053 14.245 345 HE2 LYS 54 HE2 LYS 54 12.896 24.664 16.261 346 HE3 LYS 54 HE1 LYS 54 13.653 25.955 15.337 347 HZ1 LYS 54 HZ1 LYS 54 10.764 25.725 15.963 348 HZ2 LYS 54 HZ2 LYS 54 11.452 26.981 15.071 349 HZ3 LYS 54 HZ3 LYS 54 11.841 26.778 16.688 350 H VAL 55 HN VAL 55 13.658 19.804 13.365 351 HA VAL 55 HA VAL 55 12.101 19.674 15.852 352 HB VAL 55 HB VAL 55 12.503 17.336 13.972 353 HG11 VAL 55 HG11 VAL 55 11.183 17.433 16.672 354 HG12 VAL 55 HG12 VAL 55 12.709 16.647 16.281 355 HG13 VAL 55 HG13 VAL 55 11.204 16.040 15.587 356 HG21 VAL 55 HG21 VAL 55 9.986 18.746 14.842 357 HG22 VAL 55 HG22 VAL 55 10.050 17.285 13.854 358 HG23 VAL 55 HG23 VAL 55 10.712 18.802 13.236 359 H PHE 56 HN PHE 56 13.500 19.703 17.438 360 HA PHE 56 HA PHE 56 16.205 18.623 17.101 361 HB2 PHE 56 HB2 PHE 56 16.095 20.836 18.081 362 HB3 PHE 56 HB1 PHE 56 14.905 20.282 19.273 363 HD1 PHE 56 HD1 PHE 56 18.352 19.540 18.080 364 HD2 PHE 56 HD2 PHE 56 15.654 19.675 21.359 365 HE1 PHE 56 HE1 PHE 56 20.175 18.943 19.587 366 HE2 PHE 56 HE2 PHE 56 17.453 19.083 22.889 367 HZ PHE 56 HZ PHE 56 19.749 18.708 22.014 368 H VAL 57 HN VAL 57 16.564 16.697 17.527 369 HA VAL 57 HA VAL 57 14.896 15.294 19.460 370 HB VAL 57 HB VAL 57 16.905 14.245 17.449 371 HG11 VAL 57 HG11 VAL 57 16.722 12.827 19.442 372 HG12 VAL 57 HG12 VAL 57 16.031 12.031 18.033 373 HG13 VAL 57 HG13 VAL 57 14.973 12.767 19.245 374 HG21 VAL 57 HG21 VAL 57 14.943 13.414 16.265 375 HG22 VAL 57 HG22 VAL 57 14.916 15.175 16.408 376 HG23 VAL 57 HG23 VAL 57 13.900 14.178 17.460 377 H ASN 58 HN ASN 58 15.645 15.253 21.385 378 HA ASN 58 HA ASN 58 18.312 15.919 22.092 379 HB2 ASN 58 HB2 ASN 58 16.449 16.589 23.472 380 HB3 ASN 58 HB1 ASN 58 15.905 14.918 23.661 381 HD21 ASN 58 HD21 ASN 58 15.934 15.105 25.905 382 HD22 ASN 58 HD22 ASN 58 17.396 15.201 26.798 383 H GLU 59 HN GLU 59 19.446 14.504 23.578 384 HA GLU 59 HA GLU 59 20.508 12.291 22.305 385 HB2 GLU 59 HB2 GLU 59 21.830 11.946 24.300 386 HB3 GLU 59 HB1 GLU 59 21.697 13.661 23.939 387 HG2 GLU 59 HG2 GLU 59 19.864 13.809 25.565 388 HG3 GLU 59 HG1 GLU 59 20.162 12.139 26.026 389 H ALA 60 HN ALA 60 17.788 12.396 24.390 390 HA ALA 60 HA ALA 60 17.972 9.600 25.026 391 HB1 ALA 60 HB1 ALA 60 16.053 9.947 26.426 392 HB2 ALA 60 HB2 ALA 60 15.872 11.589 25.803 393 HB3 ALA 60 HB3 ALA 60 17.298 11.154 26.774 394 H CYS 61 HN CYS 61 17.236 11.074 22.391 395 HA CYS 61 HA CYS 61 16.021 10.670 20.536 396 HB2 CYS 61 HB2 CYS 61 15.548 7.980 21.806 397 HB3 CYS 61 HB1 CYS 61 15.395 8.399 20.109 398 H HIS 62 HN HIS 62 14.726 12.348 21.661 399 HA HIS 62 HA HIS 62 12.035 11.536 21.214 400 HB2 HIS 62 HB2 HIS 62 12.442 11.320 23.743 401 HB3 HIS 62 HB1 HIS 62 12.669 13.065 23.762 402 HD1 HIS 62 HD1 HIS 62 10.591 14.067 24.688 403 HD2 HIS 62 HD2 HIS 62 9.774 10.853 22.213 404 HE1 HIS 62 HE1 HIS 62 8.065 13.943 24.512 405 HA PRO 63 HA PRO 63 12.745 15.302 19.032 406 HB2 PRO 63 HB2 PRO 63 10.488 15.349 17.662 407 HB3 PRO 63 HB1 PRO 63 11.650 14.025 17.412 408 HG2 PRO 63 HG2 PRO 63 9.153 14.019 19.047 409 HG3 PRO 63 HG1 PRO 63 9.743 12.804 17.894 410 HD2 PRO 63 HD2 PRO 63 10.092 12.582 20.567 411 HD3 PRO 63 HD1 PRO 63 11.199 11.908 19.354 412 H TYR 64 HN TYR 64 12.243 17.430 19.076 413 HA TYR 64 HA TYR 64 9.755 18.257 20.284 414 HB2 TYR 64 HB2 TYR 64 12.416 19.587 20.733 415 HB3 TYR 64 HB1 TYR 64 10.853 20.317 21.122 416 HD1 TYR 64 HD1 TYR 64 9.322 18.899 22.615 417 HD2 TYR 64 HD2 TYR 64 13.450 18.485 22.195 418 HE1 TYR 64 HE1 TYR 64 9.393 17.786 24.870 419 HE2 TYR 64 HE2 TYR 64 13.631 17.350 24.433 420 HH TYR 64 HH TYR 64 10.975 16.170 26.081 421 HA PRO 65 HA PRO 65 8.592 19.756 20.500 422 HB2 PRO 65 HB2 PRO 65 6.378 20.675 19.289 423 HB3 PRO 65 HB1 PRO 65 7.632 21.769 19.917 424 HG2 PRO 65 HG2 PRO 65 7.111 20.871 17.189 425 HG3 PRO 65 HG1 PRO 65 7.660 22.490 17.806 426 HD2 PRO 65 HD2 PRO 65 9.258 20.577 16.579 427 HD3 PRO 65 HD1 PRO 65 9.830 21.864 17.653 428 H VAL 66 HN VAL 66 6.482 18.607 20.738 429 HA VAL 66 HA VAL 66 6.798 16.105 19.326 430 HB VAL 66 HB VAL 66 5.175 16.827 21.774 431 HG11 VAL 66 HG11 VAL 66 5.792 14.106 20.609 432 HG12 VAL 66 HG12 VAL 66 4.214 14.878 20.606 433 HG13 VAL 66 HG13 VAL 66 4.957 14.400 22.135 434 HG21 VAL 66 HG21 VAL 66 7.807 15.396 21.454 435 HG22 VAL 66 HG22 VAL 66 6.969 15.640 22.986 436 HG23 VAL 66 HG23 VAL 66 7.578 17.021 22.074 437 H ILE 67 HN ILE 67 4.406 18.679 19.517 438 HA ILE 67 HA ILE 67 2.958 17.106 17.592 439 HB ILE 67 HB ILE 67 1.890 19.270 19.385 440 HG12 ILE 67 HG12 ILE 67 1.725 17.124 20.398 441 HG13 ILE 67 HG11 ILE 67 0.131 17.622 19.753 442 HG21 ILE 67 HG21 ILE 67 -0.269 19.157 18.243 443 HG22 ILE 67 HG22 ILE 67 0.457 18.144 16.993 444 HG23 ILE 67 HG23 ILE 67 0.999 19.806 17.202 445 HD11 ILE 67 HD11 ILE 67 1.967 15.632 18.483 446 HD12 ILE 67 HD12 ILE 67 0.388 16.141 17.885 447 HD13 ILE 67 HD13 ILE 67 0.511 15.258 19.406 448 H LEU 68 HN LEU 68 2.776 17.654 15.688 449 HA LEU 68 HA LEU 68 4.171 20.060 14.769 450 HB2 LEU 68 HB2 LEU 68 2.994 17.756 13.215 451 HB3 LEU 68 HB1 LEU 68 3.761 19.133 12.461 452 HG LEU 68 HG LEU 68 5.057 17.021 14.168 453 HD11 LEU 68 HD11 LEU 68 6.342 16.630 12.125 454 HD12 LEU 68 HD12 LEU 68 5.405 17.900 11.328 455 HD13 LEU 68 HD13 LEU 68 4.600 16.424 11.866 456 HD21 LEU 68 HD21 LEU 68 7.174 18.215 13.783 457 HD22 LEU 68 HD22 LEU 68 6.061 19.166 14.757 458 HD23 LEU 68 HD23 LEU 68 6.282 19.547 13.047 459 HA PRO 69 HA PRO 69 0.556 22.479 14.032 460 HB2 PRO 69 HB2 PRO 69 1.282 23.152 11.316 461 HB3 PRO 69 HB1 PRO 69 1.287 24.208 12.749 462 HG2 PRO 69 HG2 PRO 69 3.603 23.539 11.649 463 HG3 PRO 69 HG1 PRO 69 3.393 23.547 13.424 464 HD2 PRO 69 HD2 PRO 69 3.231 21.210 11.574 465 HD3 PRO 69 HD1 PRO 69 4.244 21.337 13.015 466 H ASP 70 HN ASP 70 1.164 19.918 12.154 467 HA ASP 70 HA ASP 70 -1.274 19.906 10.608 468 HB2 ASP 70 HB2 ASP 70 0.821 19.303 9.522 469 HB3 ASP 70 HB1 ASP 70 1.132 18.079 10.737 470 H ARG 71 HN ARG 71 -0.344 19.193 13.669 471 HA ARG 71 HA ARG 71 -1.119 18.124 15.464 472 HB2 ARG 71 HB2 ARG 71 -3.356 18.692 14.443 473 HB3 ARG 71 HB1 ARG 71 -3.332 17.095 13.714 474 HG2 ARG 71 HG2 ARG 71 -4.694 16.940 15.702 475 HG3 ARG 71 HG1 ARG 71 -3.122 16.157 15.983 476 HD2 ARG 71 HD2 ARG 71 -2.305 18.097 17.159 477 HD3 ARG 71 HD1 ARG 71 -3.814 18.943 16.844 478 HE ARG 71 HE ARG 71 -3.471 16.633 18.628 479 HH11 ARG 71 HH11 ARG 71 -5.432 19.370 17.552 480 HH12 ARG 71 HH12 ARG 71 -6.362 19.447 18.969 481 HH21 ARG 71 HH21 ARG 71 -4.733 16.772 20.609 482 HH22 ARG 71 HH22 ARG 71 -5.937 17.958 20.763 483 H SER 72 HN SER 72 0.442 16.857 13.122 484 HA SER 72 HA SER 72 0.189 14.074 13.523 485 HB2 SER 72 HB2 SER 72 2.860 15.024 12.813 486 HB3 SER 72 HB1 SER 72 1.725 14.002 11.898 487 HG SER 72 HG SER 72 0.727 15.840 11.059 488 H VAL 73 HN VAL 73 1.148 12.858 14.871 489 HA VAL 73 HA VAL 73 2.042 13.934 17.419 490 HB VAL 73 HB VAL 73 0.915 11.375 16.346 491 HG11 VAL 73 HG11 VAL 73 2.225 11.569 19.080 492 HG12 VAL 73 HG12 VAL 73 2.822 10.653 17.690 493 HG13 VAL 73 HG13 VAL 73 1.300 10.195 18.430 494 HG21 VAL 73 HG21 VAL 73 0.194 13.055 18.700 495 HG22 VAL 73 HG22 VAL 73 -0.608 11.564 18.195 496 HG23 VAL 73 HG23 VAL 73 -0.636 12.981 17.132 497 H LEU 74 HN LEU 74 4.236 14.146 17.630 498 HA LEU 74 HA LEU 74 5.771 12.133 16.261 499 HB2 LEU 74 HB2 LEU 74 6.517 14.839 17.235 500 HB3 LEU 74 HB1 LEU 74 7.716 13.563 17.396 501 HG LEU 74 HG LEU 74 7.859 13.275 15.071 502 HD11 LEU 74 HD11 LEU 74 6.421 14.460 13.508 503 HD12 LEU 74 HD12 LEU 74 5.439 15.036 14.889 504 HD13 LEU 74 HD13 LEU 74 5.545 13.313 14.525 505 HD21 LEU 74 HD21 LEU 74 9.038 15.202 15.910 506 HD22 LEU 74 HD22 LEU 74 7.595 16.197 15.739 507 HD23 LEU 74 HD23 LEU 74 8.391 15.557 14.307 508 H SER 75 HN SER 75 6.906 10.684 17.199 509 HA SER 75 HA SER 75 7.312 10.757 20.118 510 HB2 SER 75 HB2 SER 75 6.291 8.331 18.617 511 HB3 SER 75 HB1 SER 75 6.633 8.419 20.342 512 HG SER 75 HG SER 75 5.006 10.405 19.642 513 H GLY 76 HN GLY 76 9.098 9.511 20.761 514 HA2 GLY 76 HA2 GLY 76 10.804 8.763 18.503 515 HA3 GLY 76 HA1 GLY 76 11.405 9.943 19.675 516 H ASP 77 HN ASP 77 12.284 7.296 18.882 517 HA ASP 77 HA ASP 77 12.743 6.288 21.583 518 HB2 ASP 77 HB2 ASP 77 11.782 4.556 19.281 519 HB3 ASP 77 HB1 ASP 77 12.627 3.916 20.676 520 H PHE 78 HN PHE 78 14.556 4.659 21.392 521 HA PHE 78 HA PHE 78 16.617 5.863 19.753 522 HB2 PHE 78 HB2 PHE 78 16.487 3.545 21.589 523 HB3 PHE 78 HB1 PHE 78 17.989 3.933 20.752 524 HD1 PHE 78 HD2 PHE 78 15.479 5.290 23.241 525 HD2 PHE 78 HD1 PHE 78 19.503 5.454 21.793 526 HE1 PHE 78 HE2 PHE 78 16.106 6.705 25.105 527 HE2 PHE 78 HE1 PHE 78 20.110 6.872 23.677 528 HZ PHE 78 HZ PHE 78 18.416 7.505 25.343 529 H THR 79 HN THR 79 17.337 4.948 17.788 530 HA THR 79 HA THR 79 15.586 3.158 16.419 531 HB THR 79 HB THR 79 18.325 3.677 15.532 532 HG1 THR 79 HG1 THR 79 17.909 5.701 15.088 533 HG21 THR 79 HG21 THR 79 15.665 3.590 14.209 534 HG22 THR 79 HG22 THR 79 16.960 2.374 14.109 535 HG23 THR 79 HG23 THR 79 17.174 3.983 13.387 536 H SER 80 HN SER 80 18.240 2.680 18.555 537 HA SER 80 HA SER 80 19.411 0.369 17.536 538 HB2 SER 80 HB2 SER 80 19.955 0.316 20.131 539 HB3 SER 80 HB1 SER 80 20.704 1.513 19.055 540 HG SER 80 HG SER 80 19.844 2.648 20.721 541 H ALA 81 HN ALA 81 16.490 0.960 19.290 542 HA ALA 81 HA ALA 81 16.174 -1.883 19.669 543 HB1 ALA 81 HB1 ALA 81 15.861 -0.523 21.693 544 HB2 ALA 81 HB2 ALA 81 14.356 -1.337 21.262 545 HB3 ALA 81 HB3 ALA 81 14.574 0.376 20.892 546 H TYR 82 HN TYR 82 15.850 -0.208 17.291 547 HA TYR 82 HA TYR 82 13.218 -1.035 16.453 548 HB2 TYR 82 HB2 TYR 82 14.242 1.660 16.680 549 HB3 TYR 82 HB1 TYR 82 13.312 1.367 15.217 550 HD1 TYR 82 HD1 TYR 82 13.198 1.223 18.943 551 HD2 TYR 82 HD2 TYR 82 10.959 1.418 15.339 552 HE1 TYR 82 HE1 TYR 82 11.162 1.650 20.236 553 HE2 TYR 82 HE2 TYR 82 8.919 1.837 16.607 554 HH TYR 82 HH TYR 82 9.028 2.711 19.871 555 H ALA 83 HN ALA 83 13.156 0.104 13.965 556 HA ALA 83 HA ALA 83 13.646 -0.036 11.916 557 HB1 ALA 83 HB1 ALA 83 15.786 0.230 11.034 558 HB2 ALA 83 HB2 ALA 83 16.550 -0.213 12.573 559 HB3 ALA 83 HB3 ALA 83 15.596 1.292 12.431 560 H ASP 84 HN ASP 84 12.778 -1.541 11.170 561 HA ASP 84 HA ASP 84 14.196 -3.916 10.434 562 HB2 ASP 84 HB2 ASP 84 12.826 -4.435 12.575 563 HB3 ASP 84 HB1 ASP 84 11.401 -4.050 11.630 564 H ASP 85 HN ASP 85 14.155 -2.362 8.716 565 HA ASP 85 HA ASP 85 11.777 -2.535 7.057 566 HB2 ASP 85 HB2 ASP 85 11.384 -0.540 8.477 567 HB3 ASP 85 HB1 ASP 85 12.923 0.128 7.953 568 H ASP 86 HN ASP 86 12.344 -1.356 4.848 569 HA ASP 86 HA ASP 86 14.997 -2.338 4.225 570 HB2 ASP 86 HB2 ASP 86 13.114 -3.323 2.986 571 HB3 ASP 86 HB1 ASP 86 12.641 -1.739 2.424 572 H GLU 87 HN GLU 87 13.992 0.310 5.156 573 HA GLU 87 HA GLU 87 15.422 1.975 3.247 574 HB2 GLU 87 HB2 GLU 87 13.506 2.618 5.367 575 HB3 GLU 87 HB1 GLU 87 14.492 3.893 4.627 576 HG2 GLU 87 HG2 GLU 87 13.548 3.193 2.430 577 HG3 GLU 87 HG1 GLU 87 12.497 2.068 3.284 578 H SER 88 HN SER 88 16.558 3.877 4.309 579 HA SER 88 HA SER 88 17.746 3.605 6.857 580 HB2 SER 88 HB2 SER 88 19.466 3.251 4.364 581 HB3 SER 88 HB1 SER 88 20.103 3.582 5.975 582 HG SER 88 HG SER 88 18.374 1.412 5.614 583 H CYS 89 HN CYS 89 19.316 5.653 7.029 584 HA CYS 89 HA CYS 89 18.479 7.671 5.111 585 HB2 CYS 89 HB2 CYS 89 18.200 7.968 8.114 586 HB3 CYS 89 HB1 CYS 89 17.955 9.260 6.944 587 HG CYS 89 HG CYS 89 16.070 6.925 5.908 Start of MODEL 9 1 H GLY 11 HT1 GLY 11 11.073 -0.757 -2.891 2 HA2 GLY 11 HA1 GLY 11 8.795 -1.165 -3.660 3 HA3 GLY 11 HA2 GLY 11 9.980 -1.547 -4.918 4 H ARG 12 HN ARG 12 9.224 -3.322 -5.957 5 HA ARG 12 HA ARG 12 8.558 -5.575 -4.233 6 HB2 ARG 12 HB2 ARG 12 6.521 -4.686 -5.330 7 HB3 ARG 12 HB1 ARG 12 7.289 -4.909 -6.895 8 HG2 ARG 12 HG2 ARG 12 7.309 -7.292 -6.607 9 HG3 ARG 12 HG1 ARG 12 6.693 -7.130 -4.960 10 HD2 ARG 12 HD2 ARG 12 4.634 -6.191 -5.773 11 HD3 ARG 12 HD1 ARG 12 5.256 -6.190 -7.423 12 HE ARG 12 HE ARG 12 5.376 -8.778 -6.367 13 HH11 ARG 12 HH11 ARG 12 2.895 -6.470 -7.342 14 HH12 ARG 12 HH12 ARG 12 1.821 -7.663 -7.907 15 HH21 ARG 12 HH21 ARG 12 3.994 -10.373 -7.187 16 HH22 ARG 12 HH22 ARG 12 2.469 -9.950 -7.849 17 H GLU 13 HN GLU 13 9.814 -7.186 -4.487 18 HA GLU 13 HA GLU 13 11.399 -8.549 -5.086 19 HB2 GLU 13 HB2 GLU 13 10.373 -8.848 -7.354 20 HB3 GLU 13 HB1 GLU 13 11.332 -7.484 -7.926 21 HG2 GLU 13 HG2 GLU 13 13.387 -8.711 -7.264 22 HG3 GLU 13 HG1 GLU 13 12.388 -10.092 -6.854 23 H ASN 14 HN ASN 14 12.614 -7.485 -3.677 24 HA ASN 14 HA ASN 14 14.940 -6.250 -4.923 25 HB2 ASN 14 HB2 ASN 14 13.735 -5.281 -2.303 26 HB3 ASN 14 HB1 ASN 14 15.225 -4.712 -3.025 27 HD21 ASN 14 HD21 ASN 14 15.087 -3.374 -4.923 28 HD22 ASN 14 HD22 ASN 14 13.629 -2.501 -5.247 29 H LEU 15 HN LEU 15 16.822 -6.635 -3.604 30 HA LEU 15 HA LEU 15 16.467 -9.020 -1.923 31 HB2 LEU 15 HB2 LEU 15 18.868 -8.163 -3.554 32 HB3 LEU 15 HB1 LEU 15 18.913 -9.455 -2.389 33 HG LEU 15 HG LEU 15 18.835 -10.414 -4.541 34 HD11 LEU 15 HD11 LEU 15 17.571 -11.606 -2.903 35 HD12 LEU 15 HD12 LEU 15 16.829 -11.770 -4.492 36 HD13 LEU 15 HD13 LEU 15 16.123 -10.680 -3.301 37 HD21 LEU 15 HD21 LEU 15 16.390 -8.750 -5.119 38 HD22 LEU 15 HD22 LEU 15 17.009 -10.038 -6.147 39 HD23 LEU 15 HD23 LEU 15 17.982 -8.592 -5.868 40 H TYR 16 HN TYR 16 18.518 -9.165 -0.381 41 HA TYR 16 HA TYR 16 18.218 -6.914 1.348 42 HB2 TYR 16 HB2 TYR 16 18.369 -9.320 2.073 43 HB3 TYR 16 HB1 TYR 16 20.047 -9.312 1.584 44 HD1 TYR 16 HD1 TYR 16 17.617 -8.202 4.067 45 HD2 TYR 16 HD2 TYR 16 21.725 -8.260 2.996 46 HE1 TYR 16 HE1 TYR 16 18.219 -7.598 6.372 47 HE2 TYR 16 HE2 TYR 16 22.345 -7.645 5.299 48 HH TYR 16 HH TYR 16 20.102 -7.803 7.841 49 H PHE 17 HN PHE 17 19.074 -5.353 -0.171 50 HA PHE 17 HA PHE 17 22.004 -5.328 -0.336 51 HB2 PHE 17 HB2 PHE 17 19.997 -3.406 -1.576 52 HB3 PHE 17 HB1 PHE 17 21.736 -3.375 -1.812 53 HD1 PHE 17 HD2 PHE 17 22.804 -5.466 -2.865 54 HD2 PHE 17 HD1 PHE 17 18.646 -4.597 -3.022 55 HE1 PHE 17 HE2 PHE 17 22.569 -6.959 -4.798 56 HE2 PHE 17 HE1 PHE 17 18.401 -6.093 -4.953 57 HZ PHE 17 HZ PHE 17 20.359 -7.274 -5.846 58 H GLN 18 HN GLN 18 19.452 -2.936 0.319 59 HA GLN 18 HA GLN 18 21.172 -1.882 2.412 60 HB2 GLN 18 HB2 GLN 18 20.220 -0.224 0.786 61 HB3 GLN 18 HB1 GLN 18 18.613 -0.687 1.322 62 HG2 GLN 18 HG2 GLN 18 19.211 0.052 3.611 63 HG3 GLN 18 HG1 GLN 18 20.751 0.627 2.976 64 HE21 GLN 18 HE21 GLN 18 20.765 2.407 1.604 65 HE22 GLN 18 HE22 GLN 18 19.437 3.505 1.564 66 H GLY 19 HN GLY 19 20.735 -3.834 3.519 67 HA2 GLY 19 HA2 GLY 19 18.141 -3.725 4.938 68 HA3 GLY 19 HA1 GLY 19 18.980 -5.236 4.594 69 H HIS 20 HN HIS 20 21.266 -2.970 5.206 70 HA HIS 20 HA HIS 20 21.772 -4.171 7.783 71 HB2 HIS 20 HB2 HIS 20 23.438 -2.181 6.190 72 HB3 HIS 20 HB1 HIS 20 23.927 -2.967 7.678 73 HD1 HIS 20 HD1 HIS 20 25.250 -5.097 7.390 74 HD2 HIS 20 HD2 HIS 20 23.057 -4.114 3.997 75 HE1 HIS 20 HE1 HIS 20 25.921 -6.748 5.621 76 H MET 21 HN MET 21 21.436 -3.166 9.635 77 HA MET 21 HA MET 21 19.939 -0.741 9.457 78 HB2 MET 21 HB2 MET 21 19.432 -1.031 11.851 79 HB3 MET 21 HB1 MET 21 18.969 -2.403 10.872 80 HG2 MET 21 HG2 MET 21 21.410 -2.229 12.614 81 HG3 MET 21 HG1 MET 21 19.911 -3.045 13.035 82 HE1 MET 21 HE1 MET 21 19.003 -5.181 11.634 83 HE2 MET 21 HE2 MET 21 19.937 -6.003 10.386 84 HE3 MET 21 HE3 MET 21 19.273 -4.398 10.075 85 H ALA 22 HN ALA 22 21.601 0.432 8.693 86 HA ALA 22 HA ALA 22 23.289 1.543 10.811 87 HB1 ALA 22 HB1 ALA 22 24.594 0.714 8.897 88 HB2 ALA 22 HB2 ALA 22 24.716 2.467 9.032 89 HB3 ALA 22 HB3 ALA 22 23.659 1.746 7.814 90 H TRP 23 HN TRP 23 21.418 2.484 11.533 91 HA TRP 23 HA TRP 23 20.452 4.780 9.992 92 HB2 TRP 23 HB2 TRP 23 19.204 3.148 12.222 93 HB3 TRP 23 HB1 TRP 23 18.621 4.747 11.739 94 HD1 TRP 23 HD1 TRP 23 19.649 1.994 9.413 95 HE1 TRP 23 HE1 TRP 23 17.569 1.385 7.889 96 HE3 TRP 23 HE3 TRP 23 16.198 4.895 11.667 97 HZ2 TRP 23 HZ2 TRP 23 14.786 2.150 7.791 98 HZ3 TRP 23 HZ3 TRP 23 13.907 4.899 10.844 99 HH2 TRP 23 HH2 TRP 23 13.239 3.543 8.947 100 H LYS 24 HN LYS 24 19.494 6.283 12.134 101 HA LYS 24 HA LYS 24 22.005 7.337 13.156 102 HB2 LYS 24 HB2 LYS 24 19.191 8.370 13.485 103 HB3 LYS 24 HB1 LYS 24 20.683 9.221 13.835 104 HG2 LYS 24 HG2 LYS 24 20.055 8.279 11.059 105 HG3 LYS 24 HG1 LYS 24 19.567 9.864 11.669 106 HD2 LYS 24 HD2 LYS 24 21.737 10.564 11.967 107 HD3 LYS 24 HD1 LYS 24 22.406 8.945 11.911 108 HE2 LYS 24 HE2 LYS 24 21.844 8.851 9.500 109 HE3 LYS 24 HE1 LYS 24 21.149 10.465 9.602 110 HZ1 LYS 24 HZ1 LYS 24 24.002 9.820 10.150 111 HZ2 LYS 24 HZ2 LYS 24 23.290 11.371 10.082 112 HZ3 LYS 24 HZ3 LYS 24 23.386 10.429 8.697 113 H ASP 25 HN ASP 25 21.298 8.447 15.448 114 HA ASP 25 HA ASP 25 21.408 6.180 17.159 115 HB2 ASP 25 HB2 ASP 25 21.936 8.991 17.435 116 HB3 ASP 25 HB1 ASP 25 21.439 8.271 18.967 117 H CYS 26 HN CYS 26 19.006 8.377 16.265 118 HA CYS 26 HA CYS 26 17.054 7.280 18.207 119 HB2 CYS 26 HB2 CYS 26 17.424 10.060 17.238 120 HB3 CYS 26 HB1 CYS 26 16.152 9.551 18.344 121 H ILE 27 HN ILE 27 14.984 7.223 17.434 122 HA ILE 27 HA ILE 27 14.753 7.524 14.546 123 HB ILE 27 HB ILE 27 15.016 5.099 15.350 124 HG12 ILE 27 HG12 ILE 27 12.393 5.512 13.962 125 HG13 ILE 27 HG11 ILE 27 13.886 5.983 13.160 126 HG21 ILE 27 HG21 ILE 27 13.071 3.979 16.185 127 HG22 ILE 27 HG22 ILE 27 12.261 5.545 16.359 128 HG23 ILE 27 HG23 ILE 27 13.711 5.187 17.313 129 HD11 ILE 27 HD11 ILE 27 13.149 3.751 12.511 130 HD12 ILE 27 HD12 ILE 27 13.311 3.218 14.206 131 HD13 ILE 27 HD13 ILE 27 14.714 3.761 13.293 132 H ILE 28 HN ILE 28 12.884 8.415 13.834 133 HA ILE 28 HA ILE 28 11.155 9.431 15.975 134 HB ILE 28 HB ILE 28 12.054 10.883 13.482 135 HG12 ILE 28 HG12 ILE 28 13.991 10.767 14.856 136 HG13 ILE 28 HG11 ILE 28 13.336 12.383 15.044 137 HG21 ILE 28 HG21 ILE 28 9.894 11.599 14.167 138 HG22 ILE 28 HG22 ILE 28 11.070 12.874 14.490 139 HG23 ILE 28 HG23 ILE 28 10.456 11.878 15.816 140 HD11 ILE 28 HD11 ILE 28 12.408 11.712 17.246 141 HD12 ILE 28 HD12 ILE 28 14.159 11.479 17.147 142 HD13 ILE 28 HD13 ILE 28 13.095 10.104 17.002 143 H GLN 29 HN GLN 29 9.309 8.588 15.709 144 HA GLN 29 HA GLN 29 8.407 7.567 13.111 145 HB2 GLN 29 HB2 GLN 29 7.264 7.277 15.894 146 HB3 GLN 29 HB1 GLN 29 6.840 6.298 14.496 147 HG2 GLN 29 HG2 GLN 29 9.649 6.423 15.406 148 HG3 GLN 29 HG1 GLN 29 8.533 5.374 16.303 149 HE21 GLN 29 HE21 GLN 29 7.142 4.516 13.861 150 HE22 GLN 29 HE22 GLN 29 8.310 3.505 13.069 151 H ARG 30 HN ARG 30 7.083 8.962 11.971 152 HA ARG 30 HA ARG 30 5.836 11.134 13.426 153 HB2 ARG 30 HB2 ARG 30 7.029 11.286 11.048 154 HB3 ARG 30 HB1 ARG 30 5.493 10.644 10.471 155 HG2 ARG 30 HG2 ARG 30 4.368 12.504 11.669 156 HG3 ARG 30 HG1 ARG 30 5.968 13.191 11.949 157 HD2 ARG 30 HD2 ARG 30 5.311 14.388 10.077 158 HD3 ARG 30 HD1 ARG 30 6.163 13.036 9.323 159 HE ARG 30 HE ARG 30 3.730 12.102 9.267 160 HH11 ARG 30 HH11 ARG 30 5.017 15.226 8.153 161 HH12 ARG 30 HH12 ARG 30 3.595 15.636 7.318 162 HH21 ARG 30 HH21 ARG 30 1.833 12.683 7.947 163 HH22 ARG 30 HH22 ARG 30 1.798 14.221 7.213 164 H TYR 31 HN TYR 31 3.912 10.524 14.263 165 HA TYR 31 HA TYR 31 2.256 8.478 13.010 166 HB2 TYR 31 HB2 TYR 31 2.434 9.740 15.654 167 HB3 TYR 31 HB1 TYR 31 0.897 9.002 15.174 168 HD1 TYR 31 HD2 TYR 31 4.562 8.303 15.478 169 HD2 TYR 31 HD1 TYR 31 0.593 6.832 15.808 170 HE1 TYR 31 HE2 TYR 31 5.425 6.213 16.399 171 HE2 TYR 31 HE1 TYR 31 1.423 4.747 16.736 172 HH TYR 31 HH TYR 31 4.583 4.312 17.853 173 H LYS 32 HN LYS 32 0.207 8.997 12.305 174 HA LYS 32 HA LYS 32 -0.500 11.777 12.558 175 HB2 LYS 32 HB2 LYS 32 0.649 11.034 10.385 176 HB3 LYS 32 HB1 LYS 32 -0.908 10.313 10.029 177 HG2 LYS 32 HG2 LYS 32 -0.350 13.229 10.565 178 HG3 LYS 32 HG1 LYS 32 -0.568 12.409 9.007 179 HD2 LYS 32 HD2 LYS 32 -2.874 11.979 9.484 180 HD3 LYS 32 HD1 LYS 32 -2.690 12.556 11.145 181 HE2 LYS 32 HE2 LYS 32 -2.192 14.795 10.319 182 HE3 LYS 32 HE1 LYS 32 -2.325 14.222 8.662 183 HZ1 LYS 32 HZ1 LYS 32 -4.306 15.381 9.460 184 HZ2 LYS 32 HZ2 LYS 32 -4.572 14.154 10.615 185 HZ3 LYS 32 HZ3 LYS 32 -4.629 13.804 8.978 186 H ASP 33 HN ASP 33 -2.204 11.774 13.585 187 HA ASP 33 HA ASP 33 -4.025 11.193 14.694 188 HB2 ASP 33 HB2 ASP 33 -4.906 10.698 11.945 189 HB3 ASP 33 HB1 ASP 33 -6.044 10.681 13.292 190 H GLY 34 HN GLY 34 -2.493 9.343 15.387 191 HA2 GLY 34 HA2 GLY 34 -2.799 7.483 16.702 192 HA3 GLY 34 HA1 GLY 34 -4.373 7.267 15.935 193 H ASP 35 HN ASP 35 -2.114 7.479 13.489 194 HA ASP 35 HA ASP 35 -1.392 4.654 13.594 195 HB2 ASP 35 HB2 ASP 35 -3.271 4.737 12.074 196 HB3 ASP 35 HB1 ASP 35 -2.582 6.145 11.245 197 H VAL 36 HN VAL 36 0.381 4.274 12.311 198 HA VAL 36 HA VAL 36 2.261 6.469 12.644 199 HB VAL 36 HB VAL 36 2.932 4.185 13.316 200 HG11 VAL 36 HG11 VAL 36 1.855 2.886 11.606 201 HG12 VAL 36 HG12 VAL 36 3.579 2.513 11.659 202 HG13 VAL 36 HG13 VAL 36 2.934 3.556 10.386 203 HG21 VAL 36 HG21 VAL 36 4.625 5.830 12.882 204 HG22 VAL 36 HG22 VAL 36 4.636 5.420 11.170 205 HG23 VAL 36 HG23 VAL 36 5.195 4.240 12.366 206 H ASN 37 HN ASN 37 3.116 7.692 11.004 207 HA ASN 37 HA ASN 37 1.772 7.199 8.453 208 HB2 ASN 37 HB2 ASN 37 1.069 9.178 9.712 209 HB3 ASN 37 HB1 ASN 37 2.684 9.812 9.504 210 HD21 ASN 37 HD21 ASN 37 0.817 8.021 7.102 211 HD22 ASN 37 HD22 ASN 37 0.647 9.349 6.031 212 H ASN 38 HN ASN 38 4.711 8.839 9.677 213 HA ASN 38 HA ASN 38 6.118 7.838 7.352 214 HB2 ASN 38 HB2 ASN 38 6.378 10.542 8.661 215 HB3 ASN 38 HB1 ASN 38 7.423 9.912 7.390 216 HD21 ASN 38 HD21 ASN 38 6.670 9.931 5.244 217 HD22 ASN 38 HD22 ASN 38 5.215 10.721 4.792 218 H ILE 39 HN ILE 39 8.465 7.706 7.759 219 HA ILE 39 HA ILE 39 9.200 7.463 10.581 220 HB ILE 39 HB ILE 39 9.353 5.468 8.441 221 HG12 ILE 39 HG12 ILE 39 9.514 3.865 10.306 222 HG13 ILE 39 HG11 ILE 39 9.642 5.208 11.426 223 HG21 ILE 39 HG21 ILE 39 11.861 5.780 10.080 224 HG22 ILE 39 HG22 ILE 39 11.707 5.939 8.329 225 HG23 ILE 39 HG23 ILE 39 11.434 4.386 9.097 226 HD11 ILE 39 HD11 ILE 39 7.272 4.554 9.688 227 HD12 ILE 39 HD12 ILE 39 7.414 5.931 10.795 228 HD13 ILE 39 HD13 ILE 39 7.435 4.295 11.431 229 H TYR 40 HN TYR 40 10.964 8.537 11.174 230 HA TYR 40 HA TYR 40 12.906 9.367 9.158 231 HB2 TYR 40 HB2 TYR 40 12.036 11.244 11.423 232 HB3 TYR 40 HB1 TYR 40 13.089 11.578 10.076 233 HD1 TYR 40 HD1 TYR 40 12.029 11.347 7.683 234 HD2 TYR 40 HD2 TYR 40 9.787 11.960 11.246 235 HE1 TYR 40 HE1 TYR 40 10.153 12.211 6.351 236 HE2 TYR 40 HE2 TYR 40 7.935 12.820 9.948 237 HH TYR 40 HH TYR 40 7.558 13.916 7.525 238 H THR 41 HN THR 41 14.962 10.053 10.433 239 HA THR 41 HA THR 41 15.104 8.991 13.050 240 HB THR 41 HB THR 41 15.489 6.949 12.174 241 HG1 THR 41 HG1 THR 41 17.156 7.407 13.557 242 HG21 THR 41 HG21 THR 41 17.184 8.100 9.935 243 HG22 THR 41 HG22 THR 41 15.553 7.387 9.836 244 HG23 THR 41 HG23 THR 41 16.916 6.381 10.255 245 H ALA 42 HN ALA 42 16.866 9.709 14.165 246 HA ALA 42 HA ALA 42 18.412 11.853 12.919 247 HB1 ALA 42 HB1 ALA 42 17.709 13.455 14.618 248 HB2 ALA 42 HB2 ALA 42 16.626 12.250 15.307 249 HB3 ALA 42 HB3 ALA 42 16.314 12.887 13.693 250 H ASN 43 HN ASN 43 20.110 12.528 14.251 251 HA ASN 43 HA ASN 43 21.113 10.447 15.943 252 HB2 ASN 43 HB2 ASN 43 22.248 13.049 14.999 253 HB3 ASN 43 HB1 ASN 43 23.057 12.137 16.272 254 HD21 ASN 43 HD21 ASN 43 23.802 12.756 13.460 255 HD22 ASN 43 HD22 ASN 43 24.165 11.222 12.755 256 H ARG 44 HN ARG 44 21.852 10.893 18.221 257 HA ARG 44 HA ARG 44 19.941 12.305 19.702 258 HB2 ARG 44 HB2 ARG 44 21.690 11.772 21.618 259 HB3 ARG 44 HB1 ARG 44 20.720 10.519 20.832 260 HG2 ARG 44 HG2 ARG 44 22.510 9.843 19.488 261 HG3 ARG 44 HG1 ARG 44 23.526 11.160 19.986 262 HD2 ARG 44 HD2 ARG 44 23.703 10.245 22.188 263 HD3 ARG 44 HD1 ARG 44 22.490 9.005 21.831 264 HE ARG 44 HE ARG 44 24.008 8.132 20.152 265 HH11 ARG 44 HH11 ARG 44 25.461 9.895 22.863 266 HH12 ARG 44 HH12 ARG 44 27.032 9.355 22.519 267 HH21 ARG 44 HH21 ARG 44 26.139 7.459 19.657 268 HH22 ARG 44 HH22 ARG 44 27.422 7.933 20.658 269 H ASN 45 HN ASN 45 19.709 14.294 19.772 270 HA ASN 45 HA ASN 45 19.888 16.435 20.156 271 HB2 ASN 45 HB2 ASN 45 22.834 16.235 20.345 272 HB3 ASN 45 HB1 ASN 45 21.887 17.704 20.609 273 HD21 ASN 45 HD21 ASN 45 23.191 14.915 21.928 274 HD22 ASN 45 HD22 ASN 45 22.618 15.086 23.547 275 H GLU 46 HN GLU 46 19.205 15.841 17.925 276 HA GLU 46 HA GLU 46 20.820 17.367 16.121 277 HB2 GLU 46 HB2 GLU 46 21.281 15.012 15.703 278 HB3 GLU 46 HB1 GLU 46 19.560 14.679 15.575 279 HG2 GLU 46 HG2 GLU 46 19.402 15.991 13.581 280 HG3 GLU 46 HG1 GLU 46 21.073 16.515 13.839 281 H GLU 47 HN GLU 47 19.615 18.813 15.040 282 HA GLU 47 HA GLU 47 16.760 18.667 15.395 283 HB2 GLU 47 HB2 GLU 47 17.903 20.685 16.170 284 HB3 GLU 47 HB1 GLU 47 18.560 20.941 14.557 285 HG2 GLU 47 HG2 GLU 47 16.310 21.394 13.740 286 HG3 GLU 47 HG1 GLU 47 15.667 21.108 15.365 287 H ILE 48 HN ILE 48 15.806 17.682 13.837 288 HA ILE 48 HA ILE 48 16.869 17.644 11.156 289 HB ILE 48 HB ILE 48 15.042 16.014 10.708 290 HG12 ILE 48 HG12 ILE 48 14.455 16.342 13.658 291 HG13 ILE 48 HG11 ILE 48 13.420 16.716 12.288 292 HG21 ILE 48 HG21 ILE 48 16.858 15.227 12.965 293 HG22 ILE 48 HG22 ILE 48 17.206 15.131 11.226 294 HG23 ILE 48 HG23 ILE 48 15.947 14.129 11.934 295 HD11 ILE 48 HD11 ILE 48 12.745 14.654 13.387 296 HD12 ILE 48 HD12 ILE 48 14.326 13.949 13.007 297 HD13 ILE 48 HD13 ILE 48 13.223 14.407 11.707 298 H THR 49 HN THR 49 14.714 17.531 9.568 299 HA THR 49 HA THR 49 12.888 19.576 10.416 300 HB THR 49 HB THR 49 13.836 19.433 7.638 301 HG1 THR 49 HG1 THR 49 15.511 20.094 9.433 302 HG21 THR 49 HG21 THR 49 12.556 21.635 9.239 303 HG22 THR 49 HG22 THR 49 11.748 20.579 8.088 304 HG23 THR 49 HG23 THR 49 12.957 21.740 7.523 305 H ILE 50 HN ILE 50 10.900 19.104 9.861 306 HA ILE 50 HA ILE 50 10.369 16.720 8.246 307 HB ILE 50 HB ILE 50 9.196 17.471 10.935 308 HG12 ILE 50 HG12 ILE 50 10.587 14.956 10.052 309 HG13 ILE 50 HG11 ILE 50 11.361 16.283 10.907 310 HG21 ILE 50 HG21 ILE 50 8.304 15.261 9.091 311 HG22 ILE 50 HG22 ILE 50 7.388 16.706 9.510 312 HG23 ILE 50 HG23 ILE 50 7.748 15.503 10.745 313 HD11 ILE 50 HD11 ILE 50 9.846 15.933 12.780 314 HD12 ILE 50 HD12 ILE 50 10.748 14.455 12.430 315 HD13 ILE 50 HD13 ILE 50 9.060 14.616 11.920 316 H GLU 51 HN GLU 51 9.373 17.779 6.505 317 HA GLU 51 HA GLU 51 7.926 19.006 5.306 318 HB2 GLU 51 HB2 GLU 51 6.276 18.455 7.756 319 HB3 GLU 51 HB1 GLU 51 5.617 19.353 6.399 320 HG2 GLU 51 HG2 GLU 51 4.980 17.026 6.268 321 HG3 GLU 51 HG1 GLU 51 6.037 17.476 4.930 322 H GLU 52 HN GLU 52 9.819 20.277 6.581 323 HA GLU 52 HA GLU 52 10.733 22.240 6.940 324 HB2 GLU 52 HB2 GLU 52 8.142 23.337 5.917 325 HB3 GLU 52 HB1 GLU 52 9.567 24.326 6.225 326 HG2 GLU 52 HG2 GLU 52 9.272 22.132 4.210 327 HG3 GLU 52 HG1 GLU 52 9.552 23.871 3.999 328 H TYR 53 HN TYR 53 8.936 20.937 9.007 329 HA TYR 53 HA TYR 53 8.973 23.163 10.928 330 HB2 TYR 53 HB2 TYR 53 8.112 20.299 11.402 331 HB3 TYR 53 HB1 TYR 53 7.683 21.719 12.333 332 HD1 TYR 53 HD1 TYR 53 6.504 23.545 10.472 333 HD2 TYR 53 HD2 TYR 53 6.287 19.310 10.501 334 HE1 TYR 53 HE1 TYR 53 4.366 23.648 9.233 335 HE2 TYR 53 HE2 TYR 53 4.165 19.388 9.275 336 HH TYR 53 HH TYR 53 2.991 22.233 7.815 337 H LYS 54 HN LYS 54 10.947 23.282 12.001 338 HA LYS 54 HA LYS 54 12.607 20.973 11.723 339 HB2 LYS 54 HB2 LYS 54 14.433 22.201 12.352 340 HB3 LYS 54 HB1 LYS 54 13.444 23.402 11.533 341 HG2 LYS 54 HG2 LYS 54 13.641 23.036 14.495 342 HG3 LYS 54 HG1 LYS 54 14.617 24.173 13.566 343 HD2 LYS 54 HD2 LYS 54 12.504 25.311 12.884 344 HD3 LYS 54 HD1 LYS 54 11.608 24.187 13.915 345 HE2 LYS 54 HE2 LYS 54 12.907 24.980 15.855 346 HE3 LYS 54 HE1 LYS 54 13.738 26.109 14.788 347 HZ1 LYS 54 HZ1 LYS 54 11.618 27.189 14.351 348 HZ2 LYS 54 HZ2 LYS 54 11.968 27.204 15.996 349 HZ3 LYS 54 HZ3 LYS 54 10.834 26.114 15.381 350 H VAL 55 HN VAL 55 13.472 19.849 13.366 351 HA VAL 55 HA VAL 55 11.913 19.862 15.866 352 HB VAL 55 HB VAL 55 12.308 17.473 14.051 353 HG11 VAL 55 HG11 VAL 55 11.010 17.601 16.763 354 HG12 VAL 55 HG12 VAL 55 12.549 16.834 16.376 355 HG13 VAL 55 HG13 VAL 55 11.054 16.196 15.689 356 HG21 VAL 55 HG21 VAL 55 9.834 18.949 14.915 357 HG22 VAL 55 HG22 VAL 55 9.829 17.427 14.038 358 HG23 VAL 55 HG23 VAL 55 10.516 18.879 13.289 359 H PHE 56 HN PHE 56 13.256 19.714 17.594 360 HA PHE 56 HA PHE 56 15.990 18.797 17.130 361 HB2 PHE 56 HB2 PHE 56 15.740 20.975 18.215 362 HB3 PHE 56 HB1 PHE 56 14.695 20.243 19.442 363 HD1 PHE 56 HD1 PHE 56 18.134 20.203 18.073 364 HD2 PHE 56 HD2 PHE 56 15.601 19.321 21.367 365 HE1 PHE 56 HE1 PHE 56 20.095 19.730 19.433 366 HE2 PHE 56 HE2 PHE 56 17.534 18.842 22.752 367 HZ PHE 56 HZ PHE 56 19.826 19.041 21.799 368 H VAL 57 HN VAL 57 16.394 16.807 17.482 369 HA VAL 57 HA VAL 57 14.756 15.289 19.362 370 HB VAL 57 HB VAL 57 16.951 14.324 17.508 371 HG11 VAL 57 HG11 VAL 57 16.511 12.874 19.441 372 HG12 VAL 57 HG12 VAL 57 16.021 12.101 17.935 373 HG13 VAL 57 HG13 VAL 57 14.807 12.809 19.001 374 HG21 VAL 57 HG21 VAL 57 13.971 14.305 17.130 375 HG22 VAL 57 HG22 VAL 57 15.128 13.490 16.080 376 HG23 VAL 57 HG23 VAL 57 15.133 15.254 16.203 377 H ASN 58 HN ASN 58 15.424 15.338 21.335 378 HA ASN 58 HA ASN 58 18.026 16.152 22.127 379 HB2 ASN 58 HB2 ASN 58 15.891 16.628 23.286 380 HB3 ASN 58 HB1 ASN 58 15.761 14.931 23.760 381 HD21 ASN 58 HD21 ASN 58 15.738 17.383 25.304 382 HD22 ASN 58 HD22 ASN 58 17.049 17.292 26.411 383 H GLU 59 HN GLU 59 18.981 14.635 23.896 384 HA GLU 59 HA GLU 59 19.851 12.393 22.338 385 HB2 GLU 59 HB2 GLU 59 21.569 11.936 24.072 386 HB3 GLU 59 HB1 GLU 59 21.654 13.479 23.251 387 HG2 GLU 59 HG2 GLU 59 20.620 14.524 25.195 388 HG3 GLU 59 HG1 GLU 59 20.659 12.971 26.044 389 H ALA 60 HN ALA 60 17.337 12.467 24.355 390 HA ALA 60 HA ALA 60 17.680 9.662 24.965 391 HB1 ALA 60 HB1 ALA 60 15.605 9.804 26.224 392 HB2 ALA 60 HB2 ALA 60 15.433 11.504 25.764 393 HB3 ALA 60 HB3 ALA 60 16.790 10.979 26.795 394 H CYS 61 HN CYS 61 17.123 11.263 22.419 395 HA CYS 61 HA CYS 61 16.199 10.898 20.409 396 HB2 CYS 61 HB2 CYS 61 15.404 8.279 21.690 397 HB3 CYS 61 HB1 CYS 61 15.374 8.593 19.952 398 H HIS 62 HN HIS 62 14.990 12.306 22.188 399 HA HIS 62 HA HIS 62 12.151 11.833 21.576 400 HB2 HIS 62 HB2 HIS 62 12.829 11.793 24.055 401 HB3 HIS 62 HB1 HIS 62 13.111 13.523 23.891 402 HD1 HIS 62 HD1 HIS 62 11.217 14.400 25.336 403 HD2 HIS 62 HD2 HIS 62 9.968 11.626 22.501 404 HE1 HIS 62 HE1 HIS 62 8.695 14.365 25.450 405 HA PRO 63 HA PRO 63 12.805 15.525 19.138 406 HB2 PRO 63 HB2 PRO 63 10.759 15.194 17.529 407 HB3 PRO 63 HB1 PRO 63 12.062 13.988 17.517 408 HG2 PRO 63 HG2 PRO 63 9.401 13.845 18.825 409 HG3 PRO 63 HG1 PRO 63 10.265 12.602 17.889 410 HD2 PRO 63 HD2 PRO 63 10.266 12.704 20.632 411 HD3 PRO 63 HD1 PRO 63 11.537 11.977 19.617 412 H TYR 64 HN TYR 64 12.152 17.550 19.217 413 HA TYR 64 HA TYR 64 9.443 18.163 20.048 414 HB2 TYR 64 HB2 TYR 64 11.946 19.319 21.138 415 HB3 TYR 64 HB1 TYR 64 10.521 20.366 20.984 416 HD1 TYR 64 HD2 TYR 64 8.517 19.890 22.166 417 HD2 TYR 64 HD1 TYR 64 11.979 17.550 22.643 418 HE1 TYR 64 HE2 TYR 64 7.526 18.914 24.218 419 HE2 TYR 64 HE1 TYR 64 11.028 16.520 24.722 420 HH TYR 64 HH TYR 64 9.298 17.134 26.434 421 HA PRO 65 HA PRO 65 8.061 19.716 20.170 422 HB2 PRO 65 HB2 PRO 65 5.895 20.110 18.591 423 HB3 PRO 65 HB1 PRO 65 6.845 21.449 19.265 424 HG2 PRO 65 HG2 PRO 65 6.832 20.348 16.548 425 HG3 PRO 65 HG1 PRO 65 7.087 22.023 17.131 426 HD2 PRO 65 HD2 PRO 65 9.094 20.328 16.273 427 HD3 PRO 65 HD1 PRO 65 9.305 21.740 17.320 428 H VAL 66 HN VAL 66 6.431 18.176 20.619 429 HA VAL 66 HA VAL 66 6.856 15.679 19.232 430 HB VAL 66 HB VAL 66 5.088 16.290 21.628 431 HG11 VAL 66 HG11 VAL 66 6.042 13.655 20.512 432 HG12 VAL 66 HG12 VAL 66 4.390 14.255 20.471 433 HG13 VAL 66 HG13 VAL 66 5.147 13.853 22.014 434 HG21 VAL 66 HG21 VAL 66 7.872 15.139 21.491 435 HG22 VAL 66 HG22 VAL 66 6.922 15.321 22.966 436 HG23 VAL 66 HG23 VAL 66 7.453 16.741 22.066 437 H ILE 67 HN ILE 67 4.322 18.039 19.760 438 HA ILE 67 HA ILE 67 2.860 16.713 17.668 439 HB ILE 67 HB ILE 67 1.852 18.714 19.692 440 HG12 ILE 67 HG12 ILE 67 1.665 16.427 20.453 441 HG13 ILE 67 HG11 ILE 67 0.102 17.099 19.897 442 HG21 ILE 67 HG21 ILE 67 1.007 19.357 17.437 443 HG22 ILE 67 HG22 ILE 67 -0.265 18.849 18.549 444 HG23 ILE 67 HG23 ILE 67 0.307 17.742 17.300 445 HD11 ILE 67 HD11 ILE 67 1.760 15.215 18.282 446 HD12 ILE 67 HD12 ILE 67 0.181 15.889 17.886 447 HD13 ILE 67 HD13 ILE 67 0.341 14.779 19.244 448 H LEU 68 HN LEU 68 2.970 17.359 15.896 449 HA LEU 68 HA LEU 68 4.408 19.809 15.209 450 HB2 LEU 68 HB2 LEU 68 3.273 17.646 13.440 451 HB3 LEU 68 HB1 LEU 68 4.155 19.026 12.840 452 HG LEU 68 HG LEU 68 5.225 16.759 14.507 453 HD11 LEU 68 HD11 LEU 68 6.654 16.439 12.553 454 HD12 LEU 68 HD12 LEU 68 5.850 17.803 11.772 455 HD13 LEU 68 HD13 LEU 68 4.938 16.338 12.125 456 HD21 LEU 68 HD21 LEU 68 7.407 17.890 14.352 457 HD22 LEU 68 HD22 LEU 68 6.252 18.803 15.312 458 HD23 LEU 68 HD23 LEU 68 6.614 19.305 13.655 459 HA PRO 69 HA PRO 69 0.908 22.346 14.223 460 HB2 PRO 69 HB2 PRO 69 1.811 22.834 11.503 461 HB3 PRO 69 HB1 PRO 69 1.646 24.002 12.839 462 HG2 PRO 69 HG2 PRO 69 4.084 23.377 12.091 463 HG3 PRO 69 HG1 PRO 69 3.657 23.377 13.830 464 HD2 PRO 69 HD2 PRO 69 3.735 21.037 11.981 465 HD3 PRO 69 HD1 PRO 69 4.618 21.185 13.504 466 H ASP 70 HN ASP 70 1.616 19.759 12.199 467 HA ASP 70 HA ASP 70 -0.917 19.840 10.818 468 HB2 ASP 70 HB2 ASP 70 1.256 19.114 9.703 469 HB3 ASP 70 HB1 ASP 70 1.175 17.652 10.673 470 H ARG 71 HN ARG 71 0.058 19.100 13.764 471 HA ARG 71 HA ARG 71 -0.480 17.910 15.529 472 HB2 ARG 71 HB2 ARG 71 -2.746 18.760 14.946 473 HB3 ARG 71 HB1 ARG 71 -3.029 17.264 14.066 474 HG2 ARG 71 HG2 ARG 71 -3.355 16.041 15.904 475 HG3 ARG 71 HG1 ARG 71 -2.169 16.969 16.821 476 HD2 ARG 71 HD2 ARG 71 -4.894 17.998 16.063 477 HD3 ARG 71 HD1 ARG 71 -4.532 17.225 17.612 478 HE ARG 71 HE ARG 71 -2.699 19.284 17.150 479 HH11 ARG 71 HH11 ARG 71 -6.136 18.910 17.887 480 HH12 ARG 71 HH12 ARG 71 -6.257 20.347 18.784 481 HH21 ARG 71 HH21 ARG 71 -2.838 21.247 18.397 482 HH22 ARG 71 HH22 ARG 71 -4.320 21.709 19.100 483 H SER 72 HN SER 72 0.961 16.847 13.439 484 HA SER 72 HA SER 72 0.667 14.020 13.406 485 HB2 SER 72 HB2 SER 72 3.204 15.604 13.015 486 HB3 SER 72 HB1 SER 72 2.724 14.071 12.263 487 HG SER 72 HG SER 72 0.916 15.464 11.325 488 H VAL 73 HN VAL 73 1.502 12.664 14.771 489 HA VAL 73 HA VAL 73 2.390 13.537 17.404 490 HB VAL 73 HB VAL 73 1.242 11.053 16.171 491 HG11 VAL 73 HG11 VAL 73 2.434 11.144 18.962 492 HG12 VAL 73 HG12 VAL 73 3.072 10.265 17.563 493 HG13 VAL 73 HG13 VAL 73 1.513 9.809 18.224 494 HG21 VAL 73 HG21 VAL 73 0.426 12.689 18.531 495 HG22 VAL 73 HG22 VAL 73 -0.366 11.222 17.956 496 HG23 VAL 73 HG23 VAL 73 -0.332 12.663 16.927 497 H LEU 74 HN LEU 74 4.572 13.631 17.672 498 HA LEU 74 HA LEU 74 6.114 11.736 16.112 499 HB2 LEU 74 HB2 LEU 74 6.797 14.369 17.259 500 HB3 LEU 74 HB1 LEU 74 8.007 13.091 17.344 501 HG LEU 74 HG LEU 74 8.196 12.905 15.048 502 HD11 LEU 74 HD11 LEU 74 6.819 14.139 13.465 503 HD12 LEU 74 HD12 LEU 74 5.756 14.650 14.802 504 HD13 LEU 74 HD13 LEU 74 5.910 12.943 14.381 505 HD21 LEU 74 HD21 LEU 74 7.894 15.818 15.741 506 HD22 LEU 74 HD22 LEU 74 8.762 15.177 14.347 507 HD23 LEU 74 HD23 LEU 74 9.328 14.816 15.980 508 H SER 75 HN SER 75 6.842 10.052 16.840 509 HA SER 75 HA SER 75 7.088 9.775 19.764 510 HB2 SER 75 HB2 SER 75 6.648 7.566 17.726 511 HB3 SER 75 HB1 SER 75 6.724 7.366 19.480 512 HG SER 75 HG SER 75 4.964 9.138 19.283 513 H GLY 76 HN GLY 76 9.073 9.542 20.519 514 HA2 GLY 76 HA2 GLY 76 11.174 9.148 18.503 515 HA3 GLY 76 HA1 GLY 76 11.298 10.201 19.911 516 H ASP 77 HN ASP 77 12.361 7.399 18.755 517 HA ASP 77 HA ASP 77 12.873 6.468 21.473 518 HB2 ASP 77 HB2 ASP 77 11.747 4.808 19.231 519 HB3 ASP 77 HB1 ASP 77 12.620 4.091 20.570 520 H PHE 78 HN PHE 78 14.555 4.726 21.315 521 HA PHE 78 HA PHE 78 16.693 5.780 19.678 522 HB2 PHE 78 HB2 PHE 78 16.429 3.561 21.608 523 HB3 PHE 78 HB1 PHE 78 17.943 3.777 20.739 524 HD1 PHE 78 HD1 PHE 78 15.569 5.533 23.124 525 HD2 PHE 78 HD2 PHE 78 19.583 5.213 21.686 526 HE1 PHE 78 HE1 PHE 78 16.334 7.032 24.873 527 HE2 PHE 78 HE2 PHE 78 20.329 6.724 23.450 528 HZ PHE 78 HZ PHE 78 18.707 7.639 25.054 529 H THR 79 HN THR 79 17.464 4.777 17.787 530 HA THR 79 HA THR 79 15.797 3.244 16.187 531 HB THR 79 HB THR 79 18.649 3.119 15.752 532 HG1 THR 79 HG1 THR 79 18.874 5.316 15.607 533 HG21 THR 79 HG21 THR 79 16.406 4.329 14.175 534 HG22 THR 79 HG22 THR 79 17.036 2.676 13.989 535 HG23 THR 79 HG23 THR 79 18.058 4.076 13.633 536 H SER 80 HN SER 80 18.071 2.309 18.623 537 HA SER 80 HA SER 80 18.965 -0.151 17.666 538 HB2 SER 80 HB2 SER 80 19.378 -0.297 20.249 539 HB3 SER 80 HB1 SER 80 20.238 0.919 19.289 540 HG SER 80 HG SER 80 18.912 1.479 21.330 541 H ALA 81 HN ALA 81 16.125 0.894 19.444 542 HA ALA 81 HA ALA 81 15.346 -1.859 19.803 543 HB1 ALA 81 HB1 ALA 81 15.271 -0.410 21.790 544 HB2 ALA 81 HB2 ALA 81 13.648 -0.973 21.383 545 HB3 ALA 81 HB3 ALA 81 14.151 0.667 20.960 546 H TYR 82 HN TYR 82 15.285 -0.236 17.370 547 HA TYR 82 HA TYR 82 12.555 -0.717 16.558 548 HB2 TYR 82 HB2 TYR 82 13.945 1.815 16.662 549 HB3 TYR 82 HB1 TYR 82 13.012 1.568 15.194 550 HD1 TYR 82 HD2 TYR 82 12.771 1.538 18.908 551 HD2 TYR 82 HD1 TYR 82 10.737 2.011 15.224 552 HE1 TYR 82 HE2 TYR 82 10.782 2.290 20.113 553 HE2 TYR 82 HE1 TYR 82 8.732 2.780 16.415 554 HH TYR 82 HH TYR 82 8.891 3.738 19.606 555 H ALA 83 HN ALA 83 12.690 0.314 13.984 556 HA ALA 83 HA ALA 83 13.303 0.109 11.900 557 HB1 ALA 83 HB1 ALA 83 15.472 0.945 12.607 558 HB2 ALA 83 HB2 ALA 83 15.624 -0.233 11.284 559 HB3 ALA 83 HB3 ALA 83 15.990 -0.708 12.956 560 H ASP 84 HN ASP 84 15.012 -2.455 13.514 561 HA ASP 84 HA ASP 84 14.305 -4.462 11.624 562 HB2 ASP 84 HB2 ASP 84 16.343 -4.634 13.005 563 HB3 ASP 84 HB1 ASP 84 15.356 -4.709 14.458 564 H ASP 85 HN ASP 85 13.121 -3.171 14.514 565 HA ASP 85 HA ASP 85 10.697 -4.829 14.437 566 HB2 ASP 85 HB2 ASP 85 11.990 -5.427 16.441 567 HB3 ASP 85 HB1 ASP 85 12.114 -3.735 16.889 568 H ASP 86 HN ASP 86 9.950 -3.195 12.977 569 HA ASP 86 HA ASP 86 8.896 -0.844 14.365 570 HB2 ASP 86 HB2 ASP 86 10.840 -0.376 12.916 571 HB3 ASP 86 HB1 ASP 86 9.960 -1.011 11.557 572 H GLU 87 HN GLU 87 7.036 0.059 13.084 573 HA GLU 87 HA GLU 87 5.130 -1.958 12.457 574 HB2 GLU 87 HB2 GLU 87 5.147 0.971 12.521 575 HB3 GLU 87 HB1 GLU 87 3.712 0.087 11.956 576 HG2 GLU 87 HG2 GLU 87 5.044 -0.239 14.638 577 HG3 GLU 87 HG1 GLU 87 3.595 0.729 14.346 578 H SER 88 HN SER 88 7.295 0.035 10.575 579 HA SER 88 HA SER 88 5.829 0.020 8.172 580 HB2 SER 88 HB2 SER 88 8.834 0.100 8.537 581 HB3 SER 88 HB1 SER 88 7.927 0.669 7.130 582 HG SER 88 HG SER 88 8.136 1.697 9.706 583 H CYS 89 HN CYS 89 5.267 -1.673 7.058 584 HA CYS 89 HA CYS 89 6.542 -4.202 7.492 585 HB2 CYS 89 HB2 CYS 89 4.223 -3.400 5.740 586 HB3 CYS 89 HB1 CYS 89 4.678 -5.056 6.132 587 HG CYS 89 HG CYS 89 4.169 -3.163 8.834 Start of MODEL 10 1 H GLY 11 HT1 GLY 11 6.419 -4.905 -7.551 2 HA2 GLY 11 HA1 GLY 11 7.778 -3.117 -6.716 3 HA3 GLY 11 HA2 GLY 11 8.845 -4.298 -5.959 4 H ARG 12 HN ARG 12 10.280 -2.890 -7.548 5 HA ARG 12 HA ARG 12 10.461 -4.495 -9.989 6 HB2 ARG 12 HB2 ARG 12 10.658 -1.490 -9.923 7 HB3 ARG 12 HB1 ARG 12 11.340 -2.449 -11.202 8 HG2 ARG 12 HG2 ARG 12 9.339 -1.565 -12.010 9 HG3 ARG 12 HG1 ARG 12 9.015 -3.258 -11.680 10 HD2 ARG 12 HD2 ARG 12 7.799 -2.702 -9.703 11 HD3 ARG 12 HD1 ARG 12 8.302 -1.013 -9.796 12 HE ARG 12 HE ARG 12 6.814 -2.175 -11.999 13 HH11 ARG 12 HH11 ARG 12 6.815 0.029 -9.230 14 HH12 ARG 12 HH12 ARG 12 5.470 0.924 -9.755 15 HH21 ARG 12 HH21 ARG 12 5.041 -0.901 -12.766 16 HH22 ARG 12 HH22 ARG 12 4.452 0.402 -11.841 17 H GLU 13 HN GLU 13 12.198 -1.783 -8.546 18 HA GLU 13 HA GLU 13 14.597 -2.912 -9.660 19 HB2 GLU 13 HB2 GLU 13 15.548 -0.680 -9.306 20 HB3 GLU 13 HB1 GLU 13 14.097 -0.698 -10.294 21 HG2 GLU 13 HG2 GLU 13 12.821 -0.039 -8.230 22 HG3 GLU 13 HG1 GLU 13 14.373 0.202 -7.439 23 H ASN 14 HN ASN 14 13.630 -1.866 -6.371 24 HA ASN 14 HA ASN 14 16.346 -2.746 -5.582 25 HB2 ASN 14 HB2 ASN 14 15.594 -0.324 -5.219 26 HB3 ASN 14 HB1 ASN 14 14.568 -0.955 -3.951 27 HD21 ASN 14 HD21 ASN 14 16.743 0.918 -3.677 28 HD22 ASN 14 HD22 ASN 14 17.890 0.196 -2.613 29 H LEU 15 HN LEU 15 12.979 -2.786 -4.613 30 HA LEU 15 HA LEU 15 11.726 -4.102 -3.232 31 HB2 LEU 15 HB2 LEU 15 14.021 -6.039 -3.626 32 HB3 LEU 15 HB1 LEU 15 12.638 -6.417 -2.635 33 HG LEU 15 HG LEU 15 11.209 -6.216 -4.672 34 HD11 LEU 15 HD11 LEU 15 13.833 -6.114 -6.140 35 HD12 LEU 15 HD12 LEU 15 12.625 -4.832 -6.070 36 HD13 LEU 15 HD13 LEU 15 12.246 -6.357 -6.872 37 HD21 LEU 15 HD21 LEU 15 13.413 -8.262 -4.737 38 HD22 LEU 15 HD22 LEU 15 11.867 -8.385 -5.577 39 HD23 LEU 15 HD23 LEU 15 11.913 -8.365 -3.817 40 H TYR 16 HN TYR 16 12.345 -5.679 -0.995 41 HA TYR 16 HA TYR 16 13.218 -3.498 0.639 42 HB2 TYR 16 HB2 TYR 16 11.468 -5.069 1.522 43 HB3 TYR 16 HB1 TYR 16 12.693 -6.340 1.576 44 HD1 TYR 16 HD1 TYR 16 11.626 -3.136 3.036 45 HD2 TYR 16 HD2 TYR 16 14.403 -6.344 3.305 46 HE1 TYR 16 HE1 TYR 16 12.347 -2.317 5.233 47 HE2 TYR 16 HE2 TYR 16 15.130 -5.532 5.512 48 HH TYR 16 HH TYR 16 13.422 -3.390 7.307 49 H PHE 17 HN PHE 17 15.146 -3.074 0.120 50 HA PHE 17 HA PHE 17 17.329 -4.879 0.003 51 HB2 PHE 17 HB2 PHE 17 17.500 -2.687 -1.026 52 HB3 PHE 17 HB1 PHE 17 17.276 -1.912 0.538 53 HD1 PHE 17 HD1 PHE 17 19.567 -4.248 -1.231 54 HD2 PHE 17 HD2 PHE 17 19.125 -1.250 1.749 55 HE1 PHE 17 HE1 PHE 17 22.003 -4.229 -0.888 56 HE2 PHE 17 HE2 PHE 17 21.559 -1.229 2.094 57 HZ PHE 17 HZ PHE 17 22.994 -2.724 0.778 58 H GLN 18 HN GLN 18 17.668 -6.168 1.687 59 HA GLN 18 HA GLN 18 17.806 -4.957 4.306 60 HB2 GLN 18 HB2 GLN 18 17.951 -7.164 5.213 61 HB3 GLN 18 HB1 GLN 18 16.621 -7.146 4.081 62 HG2 GLN 18 HG2 GLN 18 19.356 -8.268 3.492 63 HG3 GLN 18 HG1 GLN 18 17.995 -9.220 4.067 64 HE21 GLN 18 HE21 GLN 18 19.604 -9.282 1.595 65 HE22 GLN 18 HE22 GLN 18 18.450 -9.258 0.315 66 H GLY 19 HN GLY 19 19.697 -4.543 5.271 67 HA2 GLY 19 HA2 GLY 19 22.147 -5.700 4.332 68 HA3 GLY 19 HA1 GLY 19 21.967 -3.968 4.021 69 H HIS 20 HN HIS 20 23.927 -4.230 5.593 70 HA HIS 20 HA HIS 20 23.262 -4.525 8.356 71 HB2 HIS 20 HB2 HIS 20 25.630 -4.693 7.511 72 HB3 HIS 20 HB1 HIS 20 25.584 -2.970 7.148 73 HD1 HIS 20 HD1 HIS 20 26.042 -5.369 9.944 74 HD2 HIS 20 HD2 HIS 20 25.603 -1.278 9.428 75 HE1 HIS 20 HE1 HIS 20 26.676 -4.320 12.135 76 H MET 21 HN MET 21 22.162 -3.100 9.564 77 HA MET 21 HA MET 21 21.306 -0.710 8.217 78 HB2 MET 21 HB2 MET 21 19.667 -2.138 9.300 79 HB3 MET 21 HB1 MET 21 20.458 -1.883 10.852 80 HG2 MET 21 HG2 MET 21 19.875 0.432 10.843 81 HG3 MET 21 HG1 MET 21 19.240 0.309 9.208 82 HE1 MET 21 HE1 MET 21 16.042 -1.872 9.691 83 HE2 MET 21 HE2 MET 21 17.643 -2.456 9.259 84 HE3 MET 21 HE3 MET 21 17.030 -0.961 8.551 85 H ALA 22 HN ALA 22 22.076 1.169 8.479 86 HA ALA 22 HA ALA 22 23.223 1.952 11.017 87 HB1 ALA 22 HB1 ALA 22 25.126 1.425 9.511 88 HB2 ALA 22 HB2 ALA 22 25.053 3.128 9.952 89 HB3 ALA 22 HB3 ALA 22 24.507 2.613 8.358 90 H TRP 23 HN TRP 23 21.422 2.942 11.443 91 HA TRP 23 HA TRP 23 20.505 5.199 9.788 92 HB2 TRP 23 HB2 TRP 23 19.252 3.511 11.953 93 HB3 TRP 23 HB1 TRP 23 18.619 5.120 11.577 94 HD1 TRP 23 HD1 TRP 23 19.789 2.726 8.986 95 HE1 TRP 23 HE1 TRP 23 17.765 2.060 7.442 96 HE3 TRP 23 HE3 TRP 23 16.122 4.970 11.612 97 HZ2 TRP 23 HZ2 TRP 23 14.859 2.527 7.490 98 HZ3 TRP 23 HZ3 TRP 23 13.818 4.807 10.839 99 HH2 TRP 23 HH2 TRP 23 13.236 3.610 8.815 100 H LYS 24 HN LYS 24 19.420 6.685 11.931 101 HA LYS 24 HA LYS 24 21.892 7.637 13.156 102 HB2 LYS 24 HB2 LYS 24 19.102 8.742 13.397 103 HB3 LYS 24 HB1 LYS 24 20.589 9.448 13.947 104 HG2 LYS 24 HG2 LYS 24 20.166 8.988 11.016 105 HG3 LYS 24 HG1 LYS 24 19.675 10.481 11.832 106 HD2 LYS 24 HD2 LYS 24 21.916 10.784 12.653 107 HD3 LYS 24 HD1 LYS 24 22.459 9.311 11.895 108 HE2 LYS 24 HE2 LYS 24 23.160 11.195 10.574 109 HE3 LYS 24 HE1 LYS 24 21.879 10.377 9.690 110 HZ1 LYS 24 HZ1 LYS 24 20.338 12.071 10.289 111 HZ2 LYS 24 HZ2 LYS 24 21.713 12.885 9.785 112 HZ3 LYS 24 HZ3 LYS 24 21.365 12.754 11.415 113 H ASP 25 HN ASP 25 21.237 8.487 15.410 114 HA ASP 25 HA ASP 25 21.202 6.123 16.975 115 HB2 ASP 25 HB2 ASP 25 21.483 8.973 17.500 116 HB3 ASP 25 HB1 ASP 25 21.254 8.008 18.952 117 H CYS 26 HN CYS 26 18.872 8.564 16.319 118 HA CYS 26 HA CYS 26 16.928 7.214 18.094 119 HB2 CYS 26 HB2 CYS 26 17.138 10.091 17.358 120 HB3 CYS 26 HB1 CYS 26 15.909 9.406 18.423 121 H ILE 27 HN ILE 27 14.991 6.913 17.335 122 HA ILE 27 HA ILE 27 14.639 7.387 14.467 123 HB ILE 27 HB ILE 27 14.949 4.976 15.086 124 HG12 ILE 27 HG12 ILE 27 12.131 5.115 14.180 125 HG13 ILE 27 HG11 ILE 27 13.301 5.943 13.170 126 HG21 ILE 27 HG21 ILE 27 13.178 3.760 16.156 127 HG22 ILE 27 HG22 ILE 27 12.365 5.292 16.515 128 HG23 ILE 27 HG23 ILE 27 13.953 4.942 17.223 129 HD11 ILE 27 HD11 ILE 27 12.867 3.603 12.484 130 HD12 ILE 27 HD12 ILE 27 13.619 3.060 14.021 131 HD13 ILE 27 HD13 ILE 27 14.526 3.984 12.845 132 H ILE 28 HN ILE 28 12.777 8.293 13.812 133 HA ILE 28 HA ILE 28 11.098 9.191 16.008 134 HB ILE 28 HB ILE 28 11.911 10.777 13.559 135 HG12 ILE 28 HG12 ILE 28 13.845 10.621 14.956 136 HG13 ILE 28 HG11 ILE 28 13.176 12.234 15.144 137 HG21 ILE 28 HG21 ILE 28 9.737 11.451 14.268 138 HG22 ILE 28 HG22 ILE 28 10.892 12.718 14.688 139 HG23 ILE 28 HG23 ILE 28 10.286 11.617 15.932 140 HD11 ILE 28 HD11 ILE 28 12.207 11.553 17.304 141 HD12 ILE 28 HD12 ILE 28 13.961 11.334 17.259 142 HD13 ILE 28 HD13 ILE 28 12.907 9.945 17.084 143 H GLN 29 HN GLN 29 9.152 8.423 15.677 144 HA GLN 29 HA GLN 29 8.228 7.615 13.032 145 HB2 GLN 29 HB2 GLN 29 7.189 7.168 15.814 146 HB3 GLN 29 HB1 GLN 29 6.413 6.529 14.381 147 HG2 GLN 29 HG2 GLN 29 8.572 5.259 13.930 148 HG3 GLN 29 HG1 GLN 29 9.147 5.867 15.466 149 HE21 GLN 29 HE21 GLN 29 8.608 3.066 14.581 150 HE22 GLN 29 HE22 GLN 29 7.514 2.466 15.772 151 H ARG 30 HN ARG 30 6.759 8.864 11.958 152 HA ARG 30 HA ARG 30 5.652 11.166 13.381 153 HB2 ARG 30 HB2 ARG 30 6.860 11.304 11.035 154 HB3 ARG 30 HB1 ARG 30 5.356 10.605 10.431 155 HG2 ARG 30 HG2 ARG 30 4.142 12.456 11.547 156 HG3 ARG 30 HG1 ARG 30 5.727 13.156 11.891 157 HD2 ARG 30 HD2 ARG 30 4.890 14.320 10.000 158 HD3 ARG 30 HD1 ARG 30 6.135 13.226 9.393 159 HE ARG 30 HE ARG 30 4.139 11.764 8.774 160 HH11 ARG 30 HH11 ARG 30 4.187 15.325 8.645 161 HH12 ARG 30 HH12 ARG 30 2.887 15.399 7.569 162 HH21 ARG 30 HH21 ARG 30 2.386 11.966 7.155 163 HH22 ARG 30 HH22 ARG 30 1.880 13.534 6.727 164 H TYR 31 HN TYR 31 3.722 10.656 14.264 165 HA TYR 31 HA TYR 31 1.979 8.665 13.058 166 HB2 TYR 31 HB2 TYR 31 2.017 10.124 15.624 167 HB3 TYR 31 HB1 TYR 31 0.589 9.213 15.125 168 HD1 TYR 31 HD1 TYR 31 4.297 8.717 15.441 169 HD2 TYR 31 HD2 TYR 31 0.399 7.189 16.123 170 HE1 TYR 31 HE1 TYR 31 5.262 6.786 16.596 171 HE2 TYR 31 HE2 TYR 31 1.332 5.258 17.265 172 HH TYR 31 HH TYR 31 4.666 5.135 18.175 173 H LYS 32 HN LYS 32 0.615 9.473 11.563 174 HA LYS 32 HA LYS 32 -0.067 12.268 11.814 175 HB2 LYS 32 HB2 LYS 32 0.888 11.011 9.734 176 HB3 LYS 32 HB1 LYS 32 -0.808 10.575 9.550 177 HG2 LYS 32 HG2 LYS 32 -0.129 13.438 9.835 178 HG3 LYS 32 HG1 LYS 32 0.367 12.554 8.386 179 HD2 LYS 32 HD2 LYS 32 -1.738 13.543 7.815 180 HD3 LYS 32 HD1 LYS 32 -2.040 11.839 8.091 181 HE2 LYS 32 HE2 LYS 32 -3.823 12.961 9.108 182 HE3 LYS 32 HE1 LYS 32 -2.751 12.523 10.433 183 HZ1 LYS 32 HZ1 LYS 32 -3.455 14.734 10.763 184 HZ2 LYS 32 HZ2 LYS 32 -3.128 15.177 9.193 185 HZ3 LYS 32 HZ3 LYS 32 -1.847 14.922 10.234 186 H ASP 33 HN ASP 33 -1.722 12.597 12.846 187 HA ASP 33 HA ASP 33 -3.374 12.257 14.257 188 HB2 ASP 33 HB2 ASP 33 -4.610 11.762 11.685 189 HB3 ASP 33 HB1 ASP 33 -5.614 11.466 13.110 190 H GLY 34 HN GLY 34 -1.843 10.465 14.894 191 HA2 GLY 34 HA2 GLY 34 -2.240 8.975 16.684 192 HA3 GLY 34 HA1 GLY 34 -3.779 8.594 15.919 193 H ASP 35 HN ASP 35 -1.927 8.115 13.272 194 HA ASP 35 HA ASP 35 -0.912 5.620 14.292 195 HB2 ASP 35 HB2 ASP 35 -1.387 4.533 12.265 196 HB3 ASP 35 HB1 ASP 35 -2.891 5.015 13.015 197 H VAL 36 HN VAL 36 0.804 4.861 13.297 198 HA VAL 36 HA VAL 36 2.654 6.901 12.650 199 HB VAL 36 HB VAL 36 3.423 4.996 13.882 200 HG11 VAL 36 HG11 VAL 36 2.020 3.275 12.974 201 HG12 VAL 36 HG12 VAL 36 3.711 2.778 12.860 202 HG13 VAL 36 HG13 VAL 36 2.849 3.364 11.427 203 HG21 VAL 36 HG21 VAL 36 4.740 5.167 11.188 204 HG22 VAL 36 HG22 VAL 36 5.486 4.511 12.657 205 HG23 VAL 36 HG23 VAL 36 5.035 6.219 12.570 206 H ASN 37 HN ASN 37 2.827 7.918 10.878 207 HA ASN 37 HA ASN 37 1.796 6.806 8.383 208 HB2 ASN 37 HB2 ASN 37 0.976 8.994 9.193 209 HB3 ASN 37 HB1 ASN 37 2.622 9.565 9.024 210 HD21 ASN 37 HD21 ASN 37 1.052 7.387 6.709 211 HD22 ASN 37 HD22 ASN 37 1.036 8.542 5.437 212 H ASN 38 HN ASN 38 4.590 8.671 9.617 213 HA ASN 38 HA ASN 38 6.134 7.638 7.399 214 HB2 ASN 38 HB2 ASN 38 6.263 10.354 8.683 215 HB3 ASN 38 HB1 ASN 38 7.493 9.721 7.592 216 HD21 ASN 38 HD21 ASN 38 6.962 9.491 5.398 217 HD22 ASN 38 HD22 ASN 38 5.598 10.287 4.710 218 H ILE 39 HN ILE 39 8.441 7.619 7.795 219 HA ILE 39 HA ILE 39 9.193 7.203 10.580 220 HB ILE 39 HB ILE 39 9.740 5.487 8.184 221 HG12 ILE 39 HG12 ILE 39 7.859 4.667 9.375 222 HG13 ILE 39 HG11 ILE 39 9.290 3.700 9.766 223 HG21 ILE 39 HG21 ILE 39 11.445 5.411 10.670 224 HG22 ILE 39 HG22 ILE 39 11.956 5.769 9.017 225 HG23 ILE 39 HG23 ILE 39 11.380 4.171 9.426 226 HD11 ILE 39 HD11 ILE 39 9.532 4.760 11.892 227 HD12 ILE 39 HD12 ILE 39 7.926 4.060 11.726 228 HD13 ILE 39 HD13 ILE 39 8.139 5.799 11.568 229 H TYR 40 HN TYR 40 10.849 8.202 11.166 230 HA TYR 40 HA TYR 40 12.783 9.274 9.250 231 HB2 TYR 40 HB2 TYR 40 11.810 11.065 11.545 232 HB3 TYR 40 HB1 TYR 40 12.899 11.434 10.237 233 HD1 TYR 40 HD1 TYR 40 11.806 11.020 7.800 234 HD2 TYR 40 HD2 TYR 40 9.672 12.045 11.339 235 HE1 TYR 40 HE1 TYR 40 10.006 11.966 6.439 236 HE2 TYR 40 HE2 TYR 40 7.888 12.986 10.011 237 HH TYR 40 HH TYR 40 7.564 13.963 7.535 238 H THR 41 HN THR 41 14.744 10.076 10.537 239 HA THR 41 HA THR 41 14.998 9.013 13.147 240 HB THR 41 HB THR 41 15.484 6.998 12.233 241 HG1 THR 41 HG1 THR 41 17.092 7.482 13.639 242 HG21 THR 41 HG21 THR 41 16.982 6.571 10.323 243 HG22 THR 41 HG22 THR 41 17.141 8.317 10.062 244 HG23 THR 41 HG23 THR 41 15.565 7.513 9.898 245 H ALA 42 HN ALA 42 16.743 9.833 14.212 246 HA ALA 42 HA ALA 42 18.304 11.958 12.955 247 HB1 ALA 42 HB1 ALA 42 17.595 13.605 14.617 248 HB2 ALA 42 HB2 ALA 42 16.477 12.426 15.303 249 HB3 ALA 42 HB3 ALA 42 16.208 13.048 13.671 250 H ASN 43 HN ASN 43 20.093 12.500 14.256 251 HA ASN 43 HA ASN 43 20.932 10.386 15.964 252 HB2 ASN 43 HB2 ASN 43 22.223 12.937 15.134 253 HB3 ASN 43 HB1 ASN 43 22.857 12.096 16.545 254 HD21 ASN 43 HD21 ASN 43 24.065 12.560 13.893 255 HD22 ASN 43 HD22 ASN 43 24.447 10.986 13.303 256 H ARG 44 HN ARG 44 21.651 10.732 18.269 257 HA ARG 44 HA ARG 44 19.835 12.132 19.808 258 HB2 ARG 44 HB2 ARG 44 21.871 11.828 21.532 259 HB3 ARG 44 HB1 ARG 44 20.773 10.542 21.045 260 HG2 ARG 44 HG2 ARG 44 22.323 9.614 19.602 261 HG3 ARG 44 HG1 ARG 44 23.425 10.951 19.682 262 HD2 ARG 44 HD2 ARG 44 23.779 10.406 22.098 263 HD3 ARG 44 HD1 ARG 44 22.710 9.012 21.897 264 HE ARG 44 HE ARG 44 24.273 8.264 20.156 265 HH11 ARG 44 HH11 ARG 44 25.396 10.131 22.952 266 HH12 ARG 44 HH12 ARG 44 27.045 9.829 22.699 267 HH21 ARG 44 HH21 ARG 44 26.530 7.805 19.817 268 HH22 ARG 44 HH22 ARG 44 27.720 8.449 20.847 269 H ASN 45 HN ASN 45 19.564 14.140 20.003 270 HA ASN 45 HA ASN 45 19.765 16.290 20.254 271 HB2 ASN 45 HB2 ASN 45 22.707 15.908 20.525 272 HB3 ASN 45 HB1 ASN 45 21.775 17.410 20.784 273 HD21 ASN 45 HD21 ASN 45 23.398 15.522 22.596 274 HD22 ASN 45 HD22 ASN 45 22.334 15.354 23.956 275 H GLU 46 HN GLU 46 19.164 15.556 17.993 276 HA GLU 46 HA GLU 46 20.744 17.107 16.164 277 HB2 GLU 46 HB2 GLU 46 21.286 14.789 15.719 278 HB3 GLU 46 HB1 GLU 46 19.579 14.371 15.628 279 HG2 GLU 46 HG2 GLU 46 19.319 15.705 13.646 280 HG3 GLU 46 HG1 GLU 46 20.974 16.282 13.882 281 H GLU 47 HN GLU 47 19.588 18.446 14.997 282 HA GLU 47 HA GLU 47 16.717 18.393 15.267 283 HB2 GLU 47 HB2 GLU 47 17.837 20.342 16.113 284 HB3 GLU 47 HB1 GLU 47 18.691 20.562 14.596 285 HG2 GLU 47 HG2 GLU 47 16.595 21.181 13.527 286 HG3 GLU 47 HG1 GLU 47 15.734 20.895 15.048 287 H ILE 48 HN ILE 48 15.678 17.585 13.676 288 HA ILE 48 HA ILE 48 16.773 17.508 11.000 289 HB ILE 48 HB ILE 48 14.863 15.988 10.521 290 HG12 ILE 48 HG12 ILE 48 14.309 16.252 13.485 291 HG13 ILE 48 HG11 ILE 48 13.287 16.734 12.134 292 HG21 ILE 48 HG21 ILE 48 16.641 15.062 12.757 293 HG22 ILE 48 HG22 ILE 48 16.981 14.998 11.017 294 HG23 ILE 48 HG23 ILE 48 15.679 14.031 11.699 295 HD11 ILE 48 HD11 ILE 48 14.044 13.899 12.774 296 HD12 ILE 48 HD12 ILE 48 12.980 14.446 11.473 297 HD13 ILE 48 HD13 ILE 48 12.501 14.673 13.159 298 H THR 49 HN THR 49 14.634 17.533 9.419 299 HA THR 49 HA THR 49 12.944 19.726 10.239 300 HB THR 49 HB THR 49 13.627 19.419 7.427 301 HG1 THR 49 HG1 THR 49 15.278 20.874 9.319 302 HG21 THR 49 HG21 THR 49 13.370 21.886 7.439 303 HG22 THR 49 HG22 THR 49 13.159 21.820 9.187 304 HG23 THR 49 HG23 THR 49 11.974 21.053 8.129 305 H ILE 50 HN ILE 50 10.898 19.224 9.888 306 HA ILE 50 HA ILE 50 10.235 16.933 8.191 307 HB ILE 50 HB ILE 50 9.034 17.691 10.867 308 HG12 ILE 50 HG12 ILE 50 10.326 15.126 10.006 309 HG13 ILE 50 HG11 ILE 50 11.186 16.419 10.845 310 HG21 ILE 50 HG21 ILE 50 8.162 15.521 8.953 311 HG22 ILE 50 HG22 ILE 50 7.264 16.986 9.342 312 HG23 ILE 50 HG23 ILE 50 7.535 15.762 10.584 313 HD11 ILE 50 HD11 ILE 50 10.468 14.637 12.375 314 HD12 ILE 50 HD12 ILE 50 8.793 14.890 11.854 315 HD13 ILE 50 HD13 ILE 50 9.651 16.163 12.714 316 H GLU 51 HN GLU 51 9.300 18.018 6.489 317 HA GLU 51 HA GLU 51 7.945 19.338 5.295 318 HB2 GLU 51 HB2 GLU 51 6.257 18.682 7.694 319 HB3 GLU 51 HB1 GLU 51 5.607 19.581 6.335 320 HG2 GLU 51 HG2 GLU 51 5.016 17.287 6.146 321 HG3 GLU 51 HG1 GLU 51 6.142 17.729 4.859 322 H GLU 52 HN GLU 52 9.788 20.723 6.449 323 HA GLU 52 HA GLU 52 10.605 22.732 6.829 324 HB2 GLU 52 HB2 GLU 52 7.806 23.647 6.387 325 HB3 GLU 52 HB1 GLU 52 9.132 24.765 6.663 326 HG2 GLU 52 HG2 GLU 52 8.898 22.812 4.418 327 HG3 GLU 52 HG1 GLU 52 8.742 24.585 4.411 328 H TYR 53 HN TYR 53 8.779 21.234 9.031 329 HA TYR 53 HA TYR 53 9.078 23.326 11.071 330 HB2 TYR 53 HB2 TYR 53 8.051 20.486 11.385 331 HB3 TYR 53 HB1 TYR 53 7.765 21.842 12.459 332 HD1 TYR 53 HD2 TYR 53 6.573 23.912 11.088 333 HD2 TYR 53 HD1 TYR 53 6.223 19.779 10.152 334 HE1 TYR 53 HE2 TYR 53 4.464 24.361 9.878 335 HE2 TYR 53 HE1 TYR 53 4.130 20.216 8.950 336 HH TYR 53 HH TYR 53 3.106 23.382 8.176 337 H LYS 54 HN LYS 54 11.081 23.377 12.092 338 HA LYS 54 HA LYS 54 12.657 21.026 11.740 339 HB2 LYS 54 HB2 LYS 54 14.521 22.135 12.510 340 HB3 LYS 54 HB1 LYS 54 13.659 23.358 11.578 341 HG2 LYS 54 HG2 LYS 54 13.579 23.106 14.550 342 HG3 LYS 54 HG1 LYS 54 14.804 24.040 13.698 343 HD2 LYS 54 HD2 LYS 54 12.954 25.442 12.752 344 HD3 LYS 54 HD1 LYS 54 11.808 24.526 13.738 345 HE2 LYS 54 HE2 LYS 54 12.988 25.205 15.761 346 HE3 LYS 54 HE1 LYS 54 14.152 26.109 14.800 347 HZ1 LYS 54 HZ1 LYS 54 12.328 27.549 14.078 348 HZ2 LYS 54 HZ2 LYS 54 12.505 27.562 15.753 349 HZ3 LYS 54 HZ3 LYS 54 11.249 26.692 15.055 350 H VAL 55 HN VAL 55 13.447 19.791 13.293 351 HA VAL 55 HA VAL 55 11.968 19.834 15.829 352 HB VAL 55 HB VAL 55 12.166 17.473 13.952 353 HG11 VAL 55 HG11 VAL 55 10.955 17.607 16.713 354 HG12 VAL 55 HG12 VAL 55 12.436 16.764 16.265 355 HG13 VAL 55 HG13 VAL 55 10.889 16.224 15.612 356 HG21 VAL 55 HG21 VAL 55 9.817 19.078 14.940 357 HG22 VAL 55 HG22 VAL 55 9.669 17.575 14.048 358 HG23 VAL 55 HG23 VAL 55 10.416 18.989 13.283 359 H PHE 56 HN PHE 56 13.247 19.553 17.454 360 HA PHE 56 HA PHE 56 15.988 18.548 17.057 361 HB2 PHE 56 HB2 PHE 56 15.863 20.758 18.038 362 HB3 PHE 56 HB1 PHE 56 14.693 20.193 19.238 363 HD1 PHE 56 HD1 PHE 56 18.169 19.598 18.054 364 HD2 PHE 56 HD2 PHE 56 15.429 19.501 21.299 365 HE1 PHE 56 HE1 PHE 56 19.996 19.039 19.563 366 HE2 PHE 56 HE2 PHE 56 17.237 18.948 22.830 367 HZ PHE 56 HZ PHE 56 19.556 18.710 21.973 368 H VAL 57 HN VAL 57 16.393 16.589 17.554 369 HA VAL 57 HA VAL 57 14.673 15.201 19.459 370 HB VAL 57 HB VAL 57 16.784 14.131 17.567 371 HG11 VAL 57 HG11 VAL 57 16.545 12.757 19.583 372 HG12 VAL 57 HG12 VAL 57 15.921 11.909 18.174 373 HG13 VAL 57 HG13 VAL 57 14.808 12.656 19.323 374 HG21 VAL 57 HG21 VAL 57 13.788 14.044 17.458 375 HG22 VAL 57 HG22 VAL 57 14.869 13.217 16.339 376 HG23 VAL 57 HG23 VAL 57 14.843 14.990 16.406 377 H ASN 58 HN ASN 58 15.316 15.148 21.415 378 HA ASN 58 HA ASN 58 17.836 15.905 22.436 379 HB2 ASN 58 HB2 ASN 58 15.776 16.238 23.623 380 HB3 ASN 58 HB1 ASN 58 15.364 14.512 23.543 381 HD21 ASN 58 HD21 ASN 58 16.192 13.185 25.188 382 HD22 ASN 58 HD22 ASN 58 17.061 13.833 26.530 383 H GLU 59 HN GLU 59 18.988 14.403 23.884 384 HA GLU 59 HA GLU 59 20.001 12.363 22.188 385 HB2 GLU 59 HB2 GLU 59 21.646 11.734 23.915 386 HB3 GLU 59 HB1 GLU 59 21.665 13.428 23.471 387 HG2 GLU 59 HG2 GLU 59 20.068 12.588 25.802 388 HG3 GLU 59 HG1 GLU 59 21.823 12.648 25.975 389 H ALA 60 HN ALA 60 17.668 12.151 24.515 390 HA ALA 60 HA ALA 60 18.109 9.307 24.793 391 HB1 ALA 60 HB1 ALA 60 16.277 9.276 26.388 392 HB2 ALA 60 HB2 ALA 60 16.024 11.010 26.128 393 HB3 ALA 60 HB3 ALA 60 17.545 10.413 26.831 394 H CYS 61 HN CYS 61 17.081 10.962 22.465 395 HA CYS 61 HA CYS 61 15.856 10.547 20.594 396 HB2 CYS 61 HB2 CYS 61 15.396 7.910 21.913 397 HB3 CYS 61 HB1 CYS 61 15.165 8.297 20.204 398 H HIS 62 HN HIS 62 14.547 12.278 21.484 399 HA HIS 62 HA HIS 62 11.827 11.491 21.210 400 HB2 HIS 62 HB2 HIS 62 12.283 11.396 23.750 401 HB3 HIS 62 HB1 HIS 62 12.536 13.141 23.648 402 HD1 HIS 62 HD1 HIS 62 10.430 14.009 24.868 403 HD2 HIS 62 HD2 HIS 62 9.588 11.106 22.012 404 HE1 HIS 62 HE1 HIS 62 7.930 13.915 24.673 405 HA PRO 63 HA PRO 63 12.621 15.241 18.961 406 HB2 PRO 63 HB2 PRO 63 10.451 15.184 17.450 407 HB3 PRO 63 HB1 PRO 63 11.695 13.928 17.260 408 HG2 PRO 63 HG2 PRO 63 9.114 13.797 18.730 409 HG3 PRO 63 HG1 PRO 63 9.838 12.602 17.626 410 HD2 PRO 63 HD2 PRO 63 10.004 12.386 20.315 411 HD3 PRO 63 HD1 PRO 63 11.233 11.787 19.201 412 H TYR 64 HN TYR 64 12.168 17.317 19.194 413 HA TYR 64 HA TYR 64 9.543 18.114 20.151 414 HB2 TYR 64 HB2 TYR 64 12.188 19.211 21.035 415 HB3 TYR 64 HB1 TYR 64 10.682 20.140 21.159 416 HD1 TYR 64 HD2 TYR 64 8.836 19.279 22.485 417 HD2 TYR 64 HD1 TYR 64 12.660 17.566 22.451 418 HE1 TYR 64 HE2 TYR 64 8.291 18.109 24.624 419 HE2 TYR 64 HE1 TYR 64 12.180 16.353 24.601 420 HH TYR 64 HH TYR 64 9.036 16.160 25.874 421 HA PRO 65 HA PRO 65 8.159 19.670 20.202 422 HB2 PRO 65 HB2 PRO 65 6.564 20.193 17.758 423 HB3 PRO 65 HB1 PRO 65 6.501 21.011 19.341 424 HG2 PRO 65 HG2 PRO 65 7.522 22.266 17.392 425 HG3 PRO 65 HG1 PRO 65 8.382 22.173 18.937 426 HD2 PRO 65 HD2 PRO 65 8.965 20.460 16.493 427 HD3 PRO 65 HD1 PRO 65 10.053 21.515 17.414 428 H VAL 66 HN VAL 66 6.361 18.282 20.409 429 HA VAL 66 HA VAL 66 6.789 15.737 19.090 430 HB VAL 66 HB VAL 66 5.005 16.494 21.423 431 HG11 VAL 66 HG11 VAL 66 5.796 13.773 20.402 432 HG12 VAL 66 HG12 VAL 66 4.199 14.494 20.261 433 HG13 VAL 66 HG13 VAL 66 4.846 14.087 21.856 434 HG21 VAL 66 HG21 VAL 66 7.363 16.788 21.940 435 HG22 VAL 66 HG22 VAL 66 7.717 15.178 21.346 436 HG23 VAL 66 HG23 VAL 66 6.739 15.378 22.801 437 H ILE 67 HN ILE 67 4.221 18.135 19.612 438 HA ILE 67 HA ILE 67 2.744 16.819 17.539 439 HB ILE 67 HB ILE 67 1.870 18.630 19.739 440 HG12 ILE 67 HG12 ILE 67 -0.091 17.111 19.722 441 HG13 ILE 67 HG11 ILE 67 0.663 16.198 18.440 442 HG21 ILE 67 HG21 ILE 67 0.329 18.471 17.156 443 HG22 ILE 67 HG22 ILE 67 1.070 19.909 17.842 444 HG23 ILE 67 HG23 ILE 67 -0.286 19.135 18.668 445 HD11 ILE 67 HD11 ILE 67 1.711 16.558 21.228 446 HD12 ILE 67 HD12 ILE 67 2.525 15.684 19.919 447 HD13 ILE 67 HD13 ILE 67 0.978 15.099 20.543 448 H LEU 68 HN LEU 68 2.552 17.586 15.673 449 HA LEU 68 HA LEU 68 3.826 20.153 15.049 450 HB2 LEU 68 HB2 LEU 68 3.038 17.843 13.269 451 HB3 LEU 68 HB1 LEU 68 3.703 19.342 12.662 452 HG LEU 68 HG LEU 68 5.097 17.311 14.401 453 HD11 LEU 68 HD11 LEU 68 6.586 17.141 12.476 454 HD12 LEU 68 HD12 LEU 68 5.585 18.320 11.621 455 HD13 LEU 68 HD13 LEU 68 4.914 16.745 12.044 456 HD21 LEU 68 HD21 LEU 68 6.066 20.005 13.448 457 HD22 LEU 68 HD22 LEU 68 7.072 18.767 14.206 458 HD23 LEU 68 HD23 LEU 68 5.781 19.531 15.125 459 HA PRO 69 HA PRO 69 0.099 22.336 14.147 460 HB2 PRO 69 HB2 PRO 69 0.774 22.796 11.352 461 HB3 PRO 69 HB1 PRO 69 0.580 23.998 12.651 462 HG2 PRO 69 HG2 PRO 69 2.999 23.568 11.762 463 HG3 PRO 69 HG1 PRO 69 2.701 23.617 13.523 464 HD2 PRO 69 HD2 PRO 69 2.920 21.210 11.772 465 HD3 PRO 69 HD1 PRO 69 3.835 21.522 13.251 466 H ASP 70 HN ASP 70 0.885 19.813 12.142 467 HA ASP 70 HA ASP 70 -1.632 19.494 10.781 468 HB2 ASP 70 HB2 ASP 70 0.320 18.819 9.600 469 HB3 ASP 70 HB1 ASP 70 0.917 17.900 10.963 470 H ARG 71 HN ARG 71 -0.435 18.863 13.835 471 HA ARG 71 HA ARG 71 -0.852 17.607 15.621 472 HB2 ARG 71 HB2 ARG 71 -3.238 18.090 15.113 473 HB3 ARG 71 HB1 ARG 71 -3.286 16.626 14.140 474 HG2 ARG 71 HG2 ARG 71 -4.213 16.033 16.305 475 HG3 ARG 71 HG1 ARG 71 -2.580 15.369 16.134 476 HD2 ARG 71 HD2 ARG 71 -1.688 17.253 17.441 477 HD3 ARG 71 HD1 ARG 71 -3.340 17.820 17.686 478 HE ARG 71 HE ARG 71 -2.834 15.102 18.445 479 HH11 ARG 71 HH11 ARG 71 -3.005 18.460 19.563 480 HH12 ARG 71 HH12 ARG 71 -3.097 18.092 21.213 481 HH21 ARG 71 HH21 ARG 71 -2.920 14.558 20.751 482 HH22 ARG 71 HH22 ARG 71 -3.064 15.792 21.904 483 H SER 72 HN SER 72 0.714 16.894 13.427 484 HA SER 72 HA SER 72 0.684 14.059 13.328 485 HB2 SER 72 HB2 SER 72 3.236 15.645 12.996 486 HB3 SER 72 HB1 SER 72 2.637 14.208 12.131 487 HG SER 72 HG SER 72 0.946 15.707 11.290 488 H VAL 73 HN VAL 73 1.358 12.813 14.847 489 HA VAL 73 HA VAL 73 2.361 13.809 17.374 490 HB VAL 73 HB VAL 73 0.884 11.420 16.355 491 HG11 VAL 73 HG11 VAL 73 2.385 11.339 18.996 492 HG12 VAL 73 HG12 VAL 73 2.759 10.415 17.534 493 HG13 VAL 73 HG13 VAL 73 1.244 10.125 18.358 494 HG21 VAL 73 HG21 VAL 73 0.571 13.161 18.771 495 HG22 VAL 73 HG22 VAL 73 -0.505 11.844 18.302 496 HG23 VAL 73 HG23 VAL 73 -0.341 13.263 17.262 497 H LEU 74 HN LEU 74 4.523 13.829 17.541 498 HA LEU 74 HA LEU 74 5.989 11.840 16.035 499 HB2 LEU 74 HB2 LEU 74 6.690 14.489 17.139 500 HB3 LEU 74 HB1 LEU 74 7.918 13.236 17.148 501 HG LEU 74 HG LEU 74 7.982 13.080 14.824 502 HD11 LEU 74 HD11 LEU 74 6.475 14.292 13.348 503 HD12 LEU 74 HD12 LEU 74 5.493 14.770 14.758 504 HD13 LEU 74 HD13 LEU 74 5.657 13.069 14.314 505 HD21 LEU 74 HD21 LEU 74 9.113 15.005 15.729 506 HD22 LEU 74 HD22 LEU 74 7.642 15.970 15.593 507 HD23 LEU 74 HD23 LEU 74 8.447 15.379 14.140 508 H SER 75 HN SER 75 6.881 10.251 16.802 509 HA SER 75 HA SER 75 7.316 10.118 19.722 510 HB2 SER 75 HB2 SER 75 6.497 7.853 17.893 511 HB3 SER 75 HB1 SER 75 6.905 7.682 19.603 512 HG SER 75 HG SER 75 5.111 9.640 19.267 513 H GLY 76 HN GLY 76 9.317 9.412 20.365 514 HA2 GLY 76 HA2 GLY 76 11.091 8.652 18.175 515 HA3 GLY 76 HA1 GLY 76 11.568 9.917 19.313 516 H ASP 77 HN ASP 77 12.724 7.297 18.760 517 HA ASP 77 HA ASP 77 13.366 6.734 21.534 518 HB2 ASP 77 HB2 ASP 77 11.170 5.384 20.838 519 HB3 ASP 77 HB1 ASP 77 12.351 4.368 20.022 520 H PHE 78 HN PHE 78 14.947 4.816 21.436 521 HA PHE 78 HA PHE 78 16.938 5.671 19.576 522 HB2 PHE 78 HB2 PHE 78 16.865 3.272 21.323 523 HB3 PHE 78 HB1 PHE 78 18.278 3.750 20.400 524 HD1 PHE 78 HD1 PHE 78 16.076 4.841 23.240 525 HD2 PHE 78 HD2 PHE 78 19.820 5.330 21.239 526 HE1 PHE 78 HE1 PHE 78 16.899 6.214 25.085 527 HE2 PHE 78 HE2 PHE 78 20.627 6.706 23.095 528 HZ PHE 78 HZ PHE 78 19.166 7.150 25.023 529 H THR 79 HN THR 79 17.539 4.791 17.645 530 HA THR 79 HA THR 79 15.728 3.266 16.118 531 HB THR 79 HB THR 79 18.600 3.541 15.564 532 HG1 THR 79 HG1 THR 79 18.379 5.599 15.205 533 HG21 THR 79 HG21 THR 79 16.158 3.780 13.872 534 HG22 THR 79 HG22 THR 79 17.324 2.429 13.881 535 HG23 THR 79 HG23 THR 79 17.809 4.040 13.322 536 H SER 80 HN SER 80 18.456 2.460 18.126 537 HA SER 80 HA SER 80 19.193 0.018 16.995 538 HB2 SER 80 HB2 SER 80 20.280 -0.058 19.356 539 HB3 SER 80 HB1 SER 80 20.810 1.171 18.196 540 HG SER 80 HG SER 80 20.360 2.054 20.244 541 H ALA 81 HN ALA 81 16.821 0.984 19.348 542 HA ALA 81 HA ALA 81 16.369 -1.763 20.035 543 HB1 ALA 81 HB1 ALA 81 14.945 -0.924 21.868 544 HB2 ALA 81 HB2 ALA 81 15.146 0.718 21.249 545 HB3 ALA 81 HB3 ALA 81 16.536 -0.158 21.893 546 H TYR 82 HN TYR 82 15.625 -0.254 17.634 547 HA TYR 82 HA TYR 82 12.835 -0.998 17.552 548 HB2 TYR 82 HB2 TYR 82 14.107 1.414 16.602 549 HB3 TYR 82 HB1 TYR 82 12.836 0.789 15.542 550 HD1 TYR 82 HD2 TYR 82 13.418 1.288 19.201 551 HD2 TYR 82 HD1 TYR 82 10.746 1.709 15.933 552 HE1 TYR 82 HE2 TYR 82 11.758 2.249 20.697 553 HE2 TYR 82 HE1 TYR 82 9.056 2.672 17.427 554 HH TYR 82 HH TYR 82 9.816 3.663 20.604 555 H ALA 83 HN ALA 83 14.961 -0.034 14.907 556 HA ALA 83 HA ALA 83 13.900 -2.214 13.386 557 HB1 ALA 83 HB1 ALA 83 13.958 0.038 12.458 558 HB2 ALA 83 HB2 ALA 83 14.904 -1.093 11.476 559 HB3 ALA 83 HB3 ALA 83 15.718 0.026 12.575 560 H ASP 84 HN ASP 84 16.173 -1.977 15.422 561 HA ASP 84 HA ASP 84 17.998 -3.049 16.090 562 HB2 ASP 84 HB2 ASP 84 16.903 -5.164 15.463 563 HB3 ASP 84 HB1 ASP 84 17.468 -4.954 13.812 564 H ASP 85 HN ASP 85 18.055 -0.887 14.511 565 HA ASP 85 HA ASP 85 20.346 -0.789 12.863 566 HB2 ASP 85 HB2 ASP 85 19.073 1.257 13.191 567 HB3 ASP 85 HB1 ASP 85 19.326 1.189 14.936 568 H ASP 86 HN ASP 86 22.398 -1.521 13.410 569 HA ASP 86 HA ASP 86 22.518 -2.196 16.217 570 HB2 ASP 86 HB2 ASP 86 22.927 -4.027 14.585 571 HB3 ASP 86 HB1 ASP 86 24.459 -3.251 14.189 572 H GLU 87 HN GLU 87 22.894 -0.015 16.810 573 HA GLU 87 HA GLU 87 25.778 0.270 16.782 574 HB2 GLU 87 HB2 GLU 87 24.656 2.450 16.380 575 HB3 GLU 87 HB1 GLU 87 23.950 2.244 18.009 576 HG2 GLU 87 HG2 GLU 87 26.126 2.108 19.010 577 HG3 GLU 87 HG1 GLU 87 26.886 2.203 17.439 578 H SER 88 HN SER 88 26.091 -1.536 17.890 579 HA SER 88 HA SER 88 25.296 -1.542 20.654 580 HB2 SER 88 HB2 SER 88 26.710 -3.682 20.629 581 HB3 SER 88 HB1 SER 88 25.287 -3.697 19.586 582 HG SER 88 HG SER 88 26.504 -3.709 17.861 583 H CYS 89 HN CYS 89 26.257 0.041 21.695 584 HA CYS 89 HA CYS 89 28.807 1.047 20.997 585 HB2 CYS 89 HB2 CYS 89 28.320 2.433 23.140 586 HB3 CYS 89 HB1 CYS 89 27.308 2.669 21.717 587 HG CYS 89 HG CYS 89 25.937 2.631 24.295 Start of MODEL 11 1 H GLY 11 HT1 GLY 11 9.234 2.228 4.479 2 HA2 GLY 11 HA1 GLY 11 9.026 3.397 7.187 3 HA3 GLY 11 HA2 GLY 11 10.468 2.645 6.508 4 H ARG 12 HN ARG 12 11.808 3.868 5.272 5 HA ARG 12 HA ARG 12 10.885 6.097 3.806 6 HB2 ARG 12 HB2 ARG 12 12.191 7.840 4.853 7 HB3 ARG 12 HB1 ARG 12 11.097 7.170 6.049 8 HG2 ARG 12 HG2 ARG 12 12.862 6.047 7.166 9 HG3 ARG 12 HG1 ARG 12 13.979 6.338 5.828 10 HD2 ARG 12 HD2 ARG 12 12.725 8.484 7.538 11 HD3 ARG 12 HD1 ARG 12 14.372 7.877 7.722 12 HE ARG 12 HE ARG 12 14.879 8.748 5.553 13 HH11 ARG 12 HH11 ARG 12 11.765 9.913 6.839 14 HH12 ARG 12 HH12 ARG 12 11.822 11.363 5.937 15 HH21 ARG 12 HH21 ARG 12 14.884 10.750 4.330 16 HH22 ARG 12 HH22 ARG 12 13.593 11.845 4.513 17 H GLU 13 HN GLU 13 13.032 7.266 2.997 18 HA GLU 13 HA GLU 13 14.823 5.101 2.351 19 HB2 GLU 13 HB2 GLU 13 15.623 6.918 0.589 20 HB3 GLU 13 HB1 GLU 13 14.290 5.828 0.278 21 HG2 GLU 13 HG2 GLU 13 13.874 8.169 -0.401 22 HG3 GLU 13 HG1 GLU 13 12.695 7.530 0.726 23 H ASN 14 HN ASN 14 16.930 5.305 2.414 24 HA ASN 14 HA ASN 14 18.365 7.516 3.405 25 HB2 ASN 14 HB2 ASN 14 19.256 6.436 5.486 26 HB3 ASN 14 HB1 ASN 14 17.533 6.752 5.575 27 HD21 ASN 14 HD21 ASN 14 19.256 4.929 7.078 28 HD22 ASN 14 HD22 ASN 14 18.479 3.398 6.923 29 H LEU 15 HN LEU 15 18.267 4.061 3.197 30 HA LEU 15 HA LEU 15 20.405 4.193 1.172 31 HB2 LEU 15 HB2 LEU 15 19.485 1.795 2.787 32 HB3 LEU 15 HB1 LEU 15 20.563 1.698 1.430 33 HG LEU 15 HG LEU 15 21.862 1.446 3.382 34 HD11 LEU 15 HD11 LEU 15 23.468 3.261 3.220 35 HD12 LEU 15 HD12 LEU 15 22.300 4.208 2.302 36 HD13 LEU 15 HD13 LEU 15 22.928 2.699 1.639 37 HD21 LEU 15 HD21 LEU 15 22.023 3.120 5.157 38 HD22 LEU 15 HD22 LEU 15 20.407 2.425 5.045 39 HD23 LEU 15 HD23 LEU 15 20.719 4.037 4.402 40 H TYR 16 HN TYR 16 19.943 2.735 -0.706 41 HA TYR 16 HA TYR 16 17.119 3.174 -1.255 42 HB2 TYR 16 HB2 TYR 16 18.791 4.161 -2.827 43 HB3 TYR 16 HB1 TYR 16 19.311 2.533 -3.238 44 HD1 TYR 16 HD1 TYR 16 16.420 4.840 -3.330 45 HD2 TYR 16 HD2 TYR 16 18.151 1.289 -4.894 46 HE1 TYR 16 HE1 TYR 16 14.699 4.767 -5.078 47 HE2 TYR 16 HE2 TYR 16 16.437 1.208 -6.642 48 HH TYR 16 HH TYR 16 14.453 3.841 -7.317 49 H PHE 17 HN PHE 17 16.561 1.490 0.038 50 HA PHE 17 HA PHE 17 15.795 -0.572 0.534 51 HB2 PHE 17 HB2 PHE 17 15.926 -1.026 -2.448 52 HB3 PHE 17 HB1 PHE 17 14.988 -1.983 -1.307 53 HD1 PHE 17 HD2 PHE 17 13.094 -0.857 -0.060 54 HD2 PHE 17 HD1 PHE 17 15.050 0.949 -3.377 55 HE1 PHE 17 HE2 PHE 17 11.196 0.684 -0.339 56 HE2 PHE 17 HE1 PHE 17 13.163 2.499 -3.660 57 HZ PHE 17 HZ PHE 17 11.228 2.368 -2.139 58 H GLN 18 HN GLN 18 17.578 -1.115 1.668 59 HA GLN 18 HA GLN 18 19.395 -3.037 0.410 60 HB2 GLN 18 HB2 GLN 18 20.398 -0.737 0.568 61 HB3 GLN 18 HB1 GLN 18 20.149 -0.789 2.298 62 HG2 GLN 18 HG2 GLN 18 21.750 -2.561 2.521 63 HG3 GLN 18 HG1 GLN 18 21.916 -2.676 0.766 64 HE21 GLN 18 HE21 GLN 18 23.026 -1.036 -0.344 65 HE22 GLN 18 HE22 GLN 18 24.052 0.082 0.488 66 H GLY 19 HN GLY 19 20.127 -4.656 1.918 67 HA2 GLY 19 HA2 GLY 19 18.160 -5.325 3.859 68 HA3 GLY 19 HA1 GLY 19 19.672 -6.179 3.568 69 H HIS 20 HN HIS 20 21.594 -4.496 4.149 70 HA HIS 20 HA HIS 20 21.170 -4.067 6.984 71 HB2 HIS 20 HB2 HIS 20 23.745 -4.060 5.383 72 HB3 HIS 20 HB1 HIS 20 23.644 -3.792 7.128 73 HD1 HIS 20 HD1 HIS 20 22.642 -5.848 8.558 74 HD2 HIS 20 HD2 HIS 20 23.698 -6.677 4.622 75 HE1 HIS 20 HE1 HIS 20 22.692 -8.364 8.354 76 H MET 21 HN MET 21 21.608 -2.094 8.005 77 HA MET 21 HA MET 21 21.212 0.126 6.109 78 HB2 MET 21 HB2 MET 21 19.254 0.859 7.427 79 HB3 MET 21 HB1 MET 21 19.046 -0.670 6.582 80 HG2 MET 21 HG2 MET 21 19.567 -1.855 8.701 81 HG3 MET 21 HG1 MET 21 19.605 -0.294 9.518 82 HE1 MET 21 HE1 MET 21 17.459 -2.861 7.527 83 HE2 MET 21 HE2 MET 21 17.134 -1.379 6.617 84 HE3 MET 21 HE3 MET 21 15.860 -2.127 7.568 85 H ALA 22 HN ALA 22 21.565 2.161 6.804 86 HA ALA 22 HA ALA 22 23.010 2.474 9.333 87 HB1 ALA 22 HB1 ALA 22 24.405 2.880 7.364 88 HB2 ALA 22 HB2 ALA 22 24.126 4.380 8.252 89 HB3 ALA 22 HB3 ALA 22 23.236 4.058 6.768 90 H TRP 23 HN TRP 23 21.434 3.128 10.711 91 HA TRP 23 HA TRP 23 19.777 5.376 9.865 92 HB2 TRP 23 HB2 TRP 23 19.171 3.179 11.899 93 HB3 TRP 23 HB1 TRP 23 18.304 4.704 11.769 94 HD1 TRP 23 HD1 TRP 23 19.298 2.206 9.146 95 HE1 TRP 23 HE1 TRP 23 17.129 1.663 7.683 96 HE3 TRP 23 HE3 TRP 23 16.004 4.983 11.675 97 HZ2 TRP 23 HZ2 TRP 23 14.368 2.446 7.744 98 HZ3 TRP 23 HZ3 TRP 23 13.652 5.045 10.971 99 HH2 TRP 23 HH2 TRP 23 12.884 3.779 9.038 100 H LYS 24 HN LYS 24 19.183 6.764 11.811 101 HA LYS 24 HA LYS 24 21.679 7.651 12.977 102 HB2 LYS 24 HB2 LYS 24 18.884 8.701 13.349 103 HB3 LYS 24 HB1 LYS 24 20.372 9.450 13.868 104 HG2 LYS 24 HG2 LYS 24 19.790 8.976 10.956 105 HG3 LYS 24 HG1 LYS 24 19.359 10.463 11.802 106 HD2 LYS 24 HD2 LYS 24 21.679 10.772 12.444 107 HD3 LYS 24 HD1 LYS 24 22.142 9.311 11.603 108 HE2 LYS 24 HE2 LYS 24 22.693 11.217 10.225 109 HE3 LYS 24 HE1 LYS 24 21.315 10.404 9.487 110 HZ1 LYS 24 HZ1 LYS 24 21.045 12.830 9.540 111 HZ2 LYS 24 HZ2 LYS 24 21.083 12.841 11.225 112 HZ3 LYS 24 HZ3 LYS 24 19.858 12.047 10.402 113 H ASP 25 HN ASP 25 20.946 8.586 15.379 114 HA ASP 25 HA ASP 25 21.312 6.121 16.816 115 HB2 ASP 25 HB2 ASP 25 22.417 8.553 17.163 116 HB3 ASP 25 HB1 ASP 25 21.115 8.606 18.347 117 H CYS 26 HN CYS 26 18.913 8.502 16.400 118 HA CYS 26 HA CYS 26 17.033 7.204 18.288 119 HB2 CYS 26 HB2 CYS 26 17.274 10.058 17.449 120 HB3 CYS 26 HB1 CYS 26 16.044 9.434 18.546 121 H ILE 27 HN ILE 27 14.990 6.971 17.557 122 HA ILE 27 HA ILE 27 14.636 7.436 14.691 123 HB ILE 27 HB ILE 27 14.958 5.030 15.335 124 HG12 ILE 27 HG12 ILE 27 12.185 5.331 14.252 125 HG13 ILE 27 HG11 ILE 27 13.547 5.946 13.319 126 HG21 ILE 27 HG21 ILE 27 13.129 3.804 16.329 127 HG22 ILE 27 HG22 ILE 27 12.306 5.335 16.658 128 HG23 ILE 27 HG23 ILE 27 13.858 4.978 17.431 129 HD11 ILE 27 HD11 ILE 27 13.313 3.106 14.299 130 HD12 ILE 27 HD12 ILE 27 14.535 3.808 13.228 131 HD13 ILE 27 HD13 ILE 27 12.891 3.677 12.671 132 H ILE 28 HN ILE 28 12.745 8.360 14.025 133 HA ILE 28 HA ILE 28 11.028 9.208 16.230 134 HB ILE 28 HB ILE 28 11.819 10.940 13.865 135 HG12 ILE 28 HG12 ILE 28 13.826 10.652 15.197 136 HG13 ILE 28 HG11 ILE 28 13.196 12.268 15.456 137 HG21 ILE 28 HG21 ILE 28 9.679 11.504 14.777 138 HG22 ILE 28 HG22 ILE 28 10.847 12.773 15.153 139 HG23 ILE 28 HG23 ILE 28 10.364 11.619 16.397 140 HD11 ILE 28 HD11 ILE 28 12.931 9.924 17.331 141 HD12 ILE 28 HD12 ILE 28 12.297 11.541 17.644 142 HD13 ILE 28 HD13 ILE 28 14.039 11.274 17.512 143 H GLN 29 HN GLN 29 9.034 8.387 15.766 144 HA GLN 29 HA GLN 29 8.399 7.898 12.966 145 HB2 GLN 29 HB2 GLN 29 7.103 6.936 15.497 146 HB3 GLN 29 HB1 GLN 29 6.484 6.584 13.900 147 HG2 GLN 29 HG2 GLN 29 8.760 5.505 13.436 148 HG3 GLN 29 HG1 GLN 29 9.079 5.693 15.154 149 HE21 GLN 29 HE21 GLN 29 8.888 3.238 13.558 150 HE22 GLN 29 HE22 GLN 29 7.654 2.309 14.290 151 H ARG 30 HN ARG 30 6.840 9.010 11.900 152 HA ARG 30 HA ARG 30 5.575 11.166 13.389 153 HB2 ARG 30 HB2 ARG 30 6.841 11.664 11.302 154 HB3 ARG 30 HB1 ARG 30 5.641 10.704 10.418 155 HG2 ARG 30 HG2 ARG 30 3.904 12.292 11.508 156 HG3 ARG 30 HG1 ARG 30 5.382 13.210 11.891 157 HD2 ARG 30 HD2 ARG 30 5.809 13.775 9.714 158 HD3 ARG 30 HD1 ARG 30 4.813 12.465 9.062 159 HE ARG 30 HE ARG 30 3.572 14.721 10.502 160 HH11 ARG 30 HH11 ARG 30 3.903 12.963 7.406 161 HH12 ARG 30 HH12 ARG 30 2.542 13.720 6.744 162 HH21 ARG 30 HH21 ARG 30 1.694 15.710 9.479 163 HH22 ARG 30 HH22 ARG 30 1.350 15.299 7.872 164 H TYR 31 HN TYR 31 3.623 10.555 14.174 165 HA TYR 31 HA TYR 31 2.005 8.620 12.736 166 HB2 TYR 31 HB2 TYR 31 1.786 9.880 15.412 167 HB3 TYR 31 HB1 TYR 31 0.494 8.891 14.733 168 HD1 TYR 31 HD1 TYR 31 3.985 8.929 15.926 169 HD2 TYR 31 HD2 TYR 31 0.601 6.541 14.994 170 HE1 TYR 31 HE1 TYR 31 5.029 7.037 17.035 171 HE2 TYR 31 HE2 TYR 31 1.641 4.617 16.097 172 HH TYR 31 HH TYR 31 4.359 4.988 18.108 173 H LYS 32 HN LYS 32 0.087 9.246 11.835 174 HA LYS 32 HA LYS 32 -0.729 11.978 12.256 175 HB2 LYS 32 HB2 LYS 32 0.615 11.413 10.067 176 HB3 LYS 32 HB1 LYS 32 -0.943 10.725 9.621 177 HG2 LYS 32 HG2 LYS 32 -0.422 13.592 10.363 178 HG3 LYS 32 HG1 LYS 32 -0.580 12.877 8.742 179 HD2 LYS 32 HD2 LYS 32 -2.886 12.218 9.230 180 HD3 LYS 32 HD1 LYS 32 -2.760 12.916 10.838 181 HE2 LYS 32 HE2 LYS 32 -2.556 14.439 8.241 182 HE3 LYS 32 HE1 LYS 32 -3.994 14.344 9.232 183 HZ1 LYS 32 HZ1 LYS 32 -1.408 15.649 10.035 184 HZ2 LYS 32 HZ2 LYS 32 -2.789 15.523 11.014 185 HZ3 LYS 32 HZ3 LYS 32 -2.839 16.386 9.603 186 H ASP 33 HN ASP 33 -2.610 11.802 13.042 187 HA ASP 33 HA ASP 33 -4.609 11.121 13.719 188 HB2 ASP 33 HB2 ASP 33 -5.260 11.668 11.528 189 HB3 ASP 33 HB1 ASP 33 -4.833 10.051 10.981 190 H GLY 34 HN GLY 34 -2.912 9.759 14.813 191 HA2 GLY 34 HA2 GLY 34 -2.841 7.994 16.302 192 HA3 GLY 34 HA1 GLY 34 -4.337 7.421 15.571 193 H ASP 35 HN ASP 35 -2.206 7.583 13.017 194 HA ASP 35 HA ASP 35 -1.157 4.912 13.541 195 HB2 ASP 35 HB2 ASP 35 -3.086 4.597 12.132 196 HB3 ASP 35 HB1 ASP 35 -2.547 5.880 11.034 197 H VAL 36 HN VAL 36 0.598 4.472 12.241 198 HA VAL 36 HA VAL 36 2.272 6.807 12.269 199 HB VAL 36 HB VAL 36 3.226 4.814 13.227 200 HG11 VAL 36 HG11 VAL 36 3.937 2.900 11.876 201 HG12 VAL 36 HG12 VAL 36 3.100 3.606 10.484 202 HG13 VAL 36 HG13 VAL 36 2.186 3.118 11.909 203 HG21 VAL 36 HG21 VAL 36 4.686 5.698 10.757 204 HG22 VAL 36 HG22 VAL 36 5.413 4.858 12.138 205 HG23 VAL 36 HG23 VAL 36 4.722 6.471 12.341 206 H ASN 37 HN ASN 37 2.649 8.085 10.715 207 HA ASN 37 HA ASN 37 1.575 7.443 8.090 208 HB2 ASN 37 HB2 ASN 37 0.881 9.517 9.217 209 HB3 ASN 37 HB1 ASN 37 2.569 10.035 9.115 210 HD21 ASN 37 HD21 ASN 37 0.644 8.296 6.694 211 HD22 ASN 37 HD22 ASN 37 0.737 9.556 5.532 212 H ASN 38 HN ASN 38 4.468 9.098 9.424 213 HA ASN 38 HA ASN 38 5.939 8.194 7.110 214 HB2 ASN 38 HB2 ASN 38 6.070 10.838 8.517 215 HB3 ASN 38 HB1 ASN 38 7.328 10.276 7.424 216 HD21 ASN 38 HD21 ASN 38 5.906 12.721 6.975 217 HD22 ASN 38 HD22 ASN 38 4.972 12.492 5.564 218 H ILE 39 HN ILE 39 8.288 8.157 7.502 219 HA ILE 39 HA ILE 39 8.922 7.560 10.301 220 HB ILE 39 HB ILE 39 9.723 6.053 7.825 221 HG12 ILE 39 HG12 ILE 39 7.674 5.197 8.721 222 HG13 ILE 39 HG11 ILE 39 9.027 4.129 9.123 223 HG21 ILE 39 HG21 ILE 39 11.160 4.615 9.146 224 HG22 ILE 39 HG22 ILE 39 11.034 5.708 10.520 225 HG23 ILE 39 HG23 ILE 39 11.797 6.246 9.018 226 HD11 ILE 39 HD11 ILE 39 9.089 4.920 11.368 227 HD12 ILE 39 HD12 ILE 39 7.483 4.320 10.971 228 HD13 ILE 39 HD13 ILE 39 7.774 6.054 11.049 229 H TYR 40 HN TYR 40 10.739 8.309 11.093 230 HA TYR 40 HA TYR 40 12.690 9.661 9.406 231 HB2 TYR 40 HB2 TYR 40 11.455 11.110 11.818 232 HB3 TYR 40 HB1 TYR 40 12.704 11.681 10.730 233 HD1 TYR 40 HD2 TYR 40 12.220 12.448 8.511 234 HD2 TYR 40 HD1 TYR 40 9.040 11.201 11.064 235 HE1 TYR 40 HE2 TYR 40 10.604 13.473 6.996 236 HE2 TYR 40 HE1 TYR 40 7.433 12.220 9.539 237 HH TYR 40 HH TYR 40 7.414 14.132 7.649 238 H THR 41 HN THR 41 14.668 10.163 10.752 239 HA THR 41 HA THR 41 14.826 8.970 13.309 240 HB THR 41 HB THR 41 15.262 6.976 12.330 241 HG1 THR 41 HG1 THR 41 16.928 7.432 13.726 242 HG21 THR 41 HG21 THR 41 16.702 6.540 10.390 243 HG22 THR 41 HG22 THR 41 16.891 8.281 10.134 244 HG23 THR 41 HG23 THR 41 15.292 7.504 10.025 245 H ALA 42 HN ALA 42 16.624 9.694 14.390 246 HA ALA 42 HA ALA 42 18.007 11.984 13.165 247 HB1 ALA 42 HB1 ALA 42 16.439 12.136 15.723 248 HB2 ALA 42 HB2 ALA 42 15.947 12.839 14.185 249 HB3 ALA 42 HB3 ALA 42 17.391 13.437 15.006 250 H ASN 43 HN ASN 43 19.892 12.528 14.197 251 HA ASN 43 HA ASN 43 21.118 10.484 15.795 252 HB2 ASN 43 HB2 ASN 43 22.035 13.139 14.794 253 HB3 ASN 43 HB1 ASN 43 22.902 12.417 16.139 254 HD21 ASN 43 HD21 ASN 43 23.632 13.016 13.363 255 HD22 ASN 43 HD22 ASN 43 24.256 11.549 12.728 256 H ARG 44 HN ARG 44 21.821 10.754 18.058 257 HA ARG 44 HA ARG 44 20.177 12.217 19.708 258 HB2 ARG 44 HB2 ARG 44 22.326 11.849 21.298 259 HB3 ARG 44 HB1 ARG 44 21.140 10.608 20.879 260 HG2 ARG 44 HG2 ARG 44 22.602 9.616 19.345 261 HG3 ARG 44 HG1 ARG 44 23.764 10.925 19.451 262 HD2 ARG 44 HD2 ARG 44 24.316 10.348 21.684 263 HD3 ARG 44 HD1 ARG 44 22.907 9.301 21.833 264 HE ARG 44 HE ARG 44 24.225 8.070 19.906 265 HH11 ARG 44 HH11 ARG 44 25.592 9.385 22.881 266 HH12 ARG 44 HH12 ARG 44 26.669 8.088 23.117 267 HH21 ARG 44 HH21 ARG 44 25.617 6.271 20.266 268 HH22 ARG 44 HH22 ARG 44 26.706 6.281 21.579 269 H ASN 45 HN ASN 45 19.931 14.229 19.742 270 HA ASN 45 HA ASN 45 20.195 16.398 19.976 271 HB2 ASN 45 HB2 ASN 45 23.111 15.887 20.061 272 HB3 ASN 45 HB1 ASN 45 22.374 17.499 20.217 273 HD21 ASN 45 HD21 ASN 45 23.936 15.536 22.005 274 HD22 ASN 45 HD22 ASN 45 23.064 15.561 23.492 275 H GLU 46 HN GLU 46 19.319 15.879 17.790 276 HA GLU 46 HA GLU 46 20.865 17.300 15.835 277 HB2 GLU 46 HB2 GLU 46 21.192 14.912 15.438 278 HB3 GLU 46 HB1 GLU 46 19.453 14.659 15.428 279 HG2 GLU 46 HG2 GLU 46 19.273 16.069 13.438 280 HG3 GLU 46 HG1 GLU 46 21.021 16.308 13.568 281 H GLU 47 HN GLU 47 19.603 18.755 14.753 282 HA GLU 47 HA GLU 47 16.754 18.649 15.194 283 HB2 GLU 47 HB2 GLU 47 18.244 20.692 13.536 284 HB3 GLU 47 HB1 GLU 47 16.563 20.767 13.999 285 HG2 GLU 47 HG2 GLU 47 17.449 22.272 15.421 286 HG3 GLU 47 HG1 GLU 47 17.589 20.823 16.411 287 H ILE 48 HN ILE 48 15.568 17.525 13.813 288 HA ILE 48 HA ILE 48 16.556 17.196 11.128 289 HB ILE 48 HB ILE 48 14.720 15.610 10.816 290 HG12 ILE 48 HG12 ILE 48 14.049 16.081 13.724 291 HG13 ILE 48 HG11 ILE 48 13.102 16.622 12.333 292 HG21 ILE 48 HG21 ILE 48 16.297 14.975 13.293 293 HG22 ILE 48 HG22 ILE 48 16.834 14.766 11.622 294 HG23 ILE 48 HG23 ILE 48 15.484 13.813 12.241 295 HD11 ILE 48 HD11 ILE 48 12.148 14.630 13.327 296 HD12 ILE 48 HD12 ILE 48 13.675 13.764 13.041 297 HD13 ILE 48 HD13 ILE 48 12.715 14.346 11.679 298 H THR 49 HN THR 49 14.509 17.326 9.555 299 HA THR 49 HA THR 49 12.768 19.416 10.468 300 HB THR 49 HB THR 49 13.624 19.482 7.710 301 HG1 THR 49 HG1 THR 49 15.637 20.198 8.235 302 HG21 THR 49 HG21 THR 49 13.209 21.933 8.003 303 HG22 THR 49 HG22 THR 49 12.845 21.596 9.698 304 HG23 THR 49 HG23 THR 49 11.843 20.897 8.428 305 H ILE 50 HN ILE 50 10.922 18.725 10.190 306 HA ILE 50 HA ILE 50 10.400 16.586 8.276 307 HB ILE 50 HB ILE 50 8.965 17.351 10.823 308 HG12 ILE 50 HG12 ILE 50 10.334 14.811 9.975 309 HG13 ILE 50 HG11 ILE 50 10.998 16.031 11.055 310 HG21 ILE 50 HG21 ILE 50 8.140 15.264 8.813 311 HG22 ILE 50 HG22 ILE 50 7.285 16.768 9.155 312 HG23 ILE 50 HG23 ILE 50 7.400 15.513 10.395 313 HD11 ILE 50 HD11 ILE 50 9.158 15.582 12.625 314 HD12 ILE 50 HD12 ILE 50 10.100 14.113 12.308 315 HD13 ILE 50 HD13 ILE 50 8.535 14.348 11.534 316 H GLU 51 HN GLU 51 9.813 17.914 6.472 317 HA GLU 51 HA GLU 51 8.294 19.070 5.172 318 HB2 GLU 51 HB2 GLU 51 6.566 18.435 7.566 319 HB3 GLU 51 HB1 GLU 51 5.966 18.984 5.994 320 HG2 GLU 51 HG2 GLU 51 6.729 17.156 4.918 321 HG3 GLU 51 HG1 GLU 51 7.714 16.559 6.254 322 H GLU 52 HN GLU 52 10.020 20.600 6.659 323 HA GLU 52 HA GLU 52 10.583 22.610 7.207 324 HB2 GLU 52 HB2 GLU 52 7.873 23.375 6.186 325 HB3 GLU 52 HB1 GLU 52 9.058 24.569 6.702 326 HG2 GLU 52 HG2 GLU 52 9.345 22.606 4.453 327 HG3 GLU 52 HG1 GLU 52 9.178 24.373 4.431 328 H TYR 53 HN TYR 53 8.830 20.848 9.029 329 HA TYR 53 HA TYR 53 8.616 22.796 11.220 330 HB2 TYR 53 HB2 TYR 53 7.886 19.849 11.238 331 HB3 TYR 53 HB1 TYR 53 7.313 21.104 12.317 332 HD1 TYR 53 HD2 TYR 53 6.077 23.085 10.688 333 HD2 TYR 53 HD1 TYR 53 6.169 18.880 9.982 334 HE1 TYR 53 HE2 TYR 53 4.006 23.250 9.386 335 HE2 TYR 53 HE1 TYR 53 4.120 19.042 8.698 336 HH TYR 53 HH TYR 53 2.820 22.018 7.687 337 H LYS 54 HN LYS 54 10.699 22.983 12.075 338 HA LYS 54 HA LYS 54 12.343 20.660 11.882 339 HB2 LYS 54 HB2 LYS 54 14.179 21.864 12.663 340 HB3 LYS 54 HB1 LYS 54 13.364 22.908 11.498 341 HG2 LYS 54 HG2 LYS 54 13.119 23.105 14.469 342 HG3 LYS 54 HG1 LYS 54 14.339 23.960 13.520 343 HD2 LYS 54 HD2 LYS 54 12.496 25.066 12.273 344 HD3 LYS 54 HD1 LYS 54 11.329 24.242 13.314 345 HE2 LYS 54 HE2 LYS 54 12.234 25.370 15.252 346 HE3 LYS 54 HE1 LYS 54 13.471 26.135 14.258 347 HZ1 LYS 54 HZ1 LYS 54 11.672 27.217 13.015 348 HZ2 LYS 54 HZ2 LYS 54 11.684 27.671 14.632 349 HZ3 LYS 54 HZ3 LYS 54 10.542 26.572 14.081 350 H VAL 55 HN VAL 55 13.249 19.603 13.434 351 HA VAL 55 HA VAL 55 11.809 19.595 16.003 352 HB VAL 55 HB VAL 55 12.260 17.202 14.212 353 HG11 VAL 55 HG11 VAL 55 10.956 15.950 15.840 354 HG12 VAL 55 HG12 VAL 55 10.896 17.375 16.883 355 HG13 VAL 55 HG13 VAL 55 12.443 16.599 16.537 356 HG21 VAL 55 HG21 VAL 55 9.805 17.076 14.061 357 HG22 VAL 55 HG22 VAL 55 10.441 18.569 13.372 358 HG23 VAL 55 HG23 VAL 55 9.689 18.587 14.964 359 H PHE 56 HN PHE 56 13.286 19.591 17.575 360 HA PHE 56 HA PHE 56 15.971 18.633 17.012 361 HB2 PHE 56 HB2 PHE 56 15.931 20.814 18.042 362 HB3 PHE 56 HB1 PHE 56 14.800 20.251 19.283 363 HD1 PHE 56 HD2 PHE 56 18.236 19.611 17.979 364 HD2 PHE 56 HD1 PHE 56 15.605 19.548 21.320 365 HE1 PHE 56 HE2 PHE 56 20.101 19.001 19.428 366 HE2 PHE 56 HE1 PHE 56 17.455 18.929 22.782 367 HZ PHE 56 HZ PHE 56 19.731 18.651 21.846 368 H VAL 57 HN VAL 57 16.457 16.655 17.529 369 HA VAL 57 HA VAL 57 14.933 15.363 19.668 370 HB VAL 57 HB VAL 57 16.834 14.123 17.649 371 HG11 VAL 57 HG11 VAL 57 16.696 12.888 19.773 372 HG12 VAL 57 HG12 VAL 57 15.948 11.974 18.467 373 HG13 VAL 57 HG13 VAL 57 14.945 12.834 19.633 374 HG21 VAL 57 HG21 VAL 57 13.827 14.080 17.753 375 HG22 VAL 57 HG22 VAL 57 14.837 13.206 16.603 376 HG23 VAL 57 HG23 VAL 57 14.810 14.975 16.588 377 H ASN 58 HN ASN 58 15.878 15.182 21.529 378 HA ASN 58 HA ASN 58 18.486 16.217 22.006 379 HB2 ASN 58 HB2 ASN 58 16.603 16.543 23.555 380 HB3 ASN 58 HB1 ASN 58 16.475 14.797 23.809 381 HD21 ASN 58 HD21 ASN 58 16.782 14.946 26.015 382 HD22 ASN 58 HD22 ASN 58 18.273 15.435 26.724 383 H GLU 59 HN GLU 59 19.815 14.797 23.550 384 HA GLU 59 HA GLU 59 20.710 12.604 22.055 385 HB2 GLU 59 HB2 GLU 59 22.280 12.115 23.950 386 HB3 GLU 59 HB1 GLU 59 22.390 13.709 23.224 387 HG2 GLU 59 HG2 GLU 59 21.101 14.627 25.055 388 HG3 GLU 59 HG1 GLU 59 21.028 13.029 25.812 389 H ALA 60 HN ALA 60 18.383 12.782 24.489 390 HA ALA 60 HA ALA 60 18.286 9.908 24.453 391 HB1 ALA 60 HB1 ALA 60 16.621 10.075 26.264 392 HB2 ALA 60 HB2 ALA 60 16.811 11.834 26.275 393 HB3 ALA 60 HB3 ALA 60 18.169 10.777 26.727 394 H CYS 61 HN CYS 61 17.288 9.345 22.814 395 HA CYS 61 HA CYS 61 16.019 10.547 20.805 396 HB2 CYS 61 HB2 CYS 61 15.487 7.844 21.913 397 HB3 CYS 61 HB1 CYS 61 15.313 8.376 20.235 398 H HIS 62 HN HIS 62 14.644 12.187 21.555 399 HA HIS 62 HA HIS 62 11.923 11.394 21.466 400 HB2 HIS 62 HB2 HIS 62 12.553 11.377 23.957 401 HB3 HIS 62 HB1 HIS 62 12.858 13.102 23.806 402 HD1 HIS 62 HD1 HIS 62 10.902 14.224 25.005 403 HD2 HIS 62 HD2 HIS 62 9.718 11.000 22.662 404 HE1 HIS 62 HE1 HIS 62 8.401 14.141 25.145 405 HA PRO 63 HA PRO 63 12.579 15.077 19.061 406 HB2 PRO 63 HB2 PRO 63 10.303 15.078 17.730 407 HB3 PRO 63 HB1 PRO 63 11.439 13.726 17.519 408 HG2 PRO 63 HG2 PRO 63 8.952 13.833 19.156 409 HG3 PRO 63 HG1 PRO 63 9.558 12.543 18.095 410 HD2 PRO 63 HD2 PRO 63 9.892 12.526 20.807 411 HD3 PRO 63 HD1 PRO 63 10.931 11.720 19.619 412 H TYR 64 HN TYR 64 12.189 17.191 19.195 413 HA TYR 64 HA TYR 64 9.712 18.017 20.363 414 HB2 TYR 64 HB2 TYR 64 12.394 19.072 21.128 415 HB3 TYR 64 HB1 TYR 64 10.940 20.087 21.257 416 HD1 TYR 64 HD1 TYR 64 9.069 19.380 22.653 417 HD2 TYR 64 HD2 TYR 64 12.755 17.359 22.560 418 HE1 TYR 64 HE1 TYR 64 8.467 18.251 24.772 419 HE2 TYR 64 HE2 TYR 64 12.206 16.188 24.711 420 HH TYR 64 HH TYR 64 10.747 16.537 26.613 421 HA PRO 65 HA PRO 65 8.387 19.304 20.546 422 HB2 PRO 65 HB2 PRO 65 6.141 20.041 19.311 423 HB3 PRO 65 HB1 PRO 65 7.295 21.237 19.951 424 HG2 PRO 65 HG2 PRO 65 6.862 20.331 17.202 425 HG3 PRO 65 HG1 PRO 65 7.260 21.972 17.842 426 HD2 PRO 65 HD2 PRO 65 9.042 20.206 16.644 427 HD3 PRO 65 HD1 PRO 65 9.476 21.571 17.688 428 H VAL 66 HN VAL 66 6.566 17.873 20.795 429 HA VAL 66 HA VAL 66 6.865 15.479 19.219 430 HB VAL 66 HB VAL 66 5.183 16.070 21.670 431 HG11 VAL 66 HG11 VAL 66 5.808 13.412 20.385 432 HG12 VAL 66 HG12 VAL 66 4.234 14.209 20.398 433 HG13 VAL 66 HG13 VAL 66 4.950 13.646 21.908 434 HG21 VAL 66 HG21 VAL 66 7.567 16.242 22.075 435 HG22 VAL 66 HG22 VAL 66 7.831 14.675 21.341 436 HG23 VAL 66 HG23 VAL 66 6.944 14.791 22.860 437 H ILE 67 HN ILE 67 4.273 17.776 20.019 438 HA ILE 67 HA ILE 67 2.803 16.703 17.807 439 HB ILE 67 HB ILE 67 2.019 18.591 19.984 440 HG12 ILE 67 HG12 ILE 67 1.373 16.316 20.413 441 HG13 ILE 67 HG11 ILE 67 -0.038 17.271 19.908 442 HG21 ILE 67 HG21 ILE 67 -0.062 19.248 18.892 443 HG22 ILE 67 HG22 ILE 67 0.484 18.480 17.403 444 HG23 ILE 67 HG23 ILE 67 1.357 19.869 18.046 445 HD11 ILE 67 HD11 ILE 67 -0.095 15.064 18.944 446 HD12 ILE 67 HD12 ILE 67 1.417 15.377 18.113 447 HD13 ILE 67 HD13 ILE 67 -0.016 16.334 17.729 448 H LEU 68 HN LEU 68 2.844 17.429 15.973 449 HA LEU 68 HA LEU 68 4.374 19.863 15.389 450 HB2 LEU 68 HB2 LEU 68 3.232 17.789 13.517 451 HB3 LEU 68 HB1 LEU 68 4.136 19.188 12.987 452 HG LEU 68 HG LEU 68 5.159 16.839 14.570 453 HD11 LEU 68 HD11 LEU 68 5.865 17.992 11.896 454 HD12 LEU 68 HD12 LEU 68 4.922 16.527 12.168 455 HD13 LEU 68 HD13 LEU 68 6.632 16.589 12.643 456 HD21 LEU 68 HD21 LEU 68 6.590 19.406 13.864 457 HD22 LEU 68 HD22 LEU 68 7.351 17.957 14.517 458 HD23 LEU 68 HD23 LEU 68 6.187 18.848 15.491 459 HA PRO 69 HA PRO 69 0.886 22.488 14.560 460 HB2 PRO 69 HB2 PRO 69 1.827 23.371 11.976 461 HB3 PRO 69 HB1 PRO 69 1.785 24.287 13.500 462 HG2 PRO 69 HG2 PRO 69 4.130 23.593 12.464 463 HG3 PRO 69 HG1 PRO 69 3.818 23.508 14.221 464 HD2 PRO 69 HD2 PRO 69 3.698 21.295 12.219 465 HD3 PRO 69 HD1 PRO 69 4.605 21.299 13.734 466 H ASP 70 HN ASP 70 1.536 20.044 12.618 467 HA ASP 70 HA ASP 70 -0.744 20.181 10.846 468 HB2 ASP 70 HB2 ASP 70 1.343 19.406 9.913 469 HB3 ASP 70 HB1 ASP 70 1.532 18.224 11.194 470 H ARG 71 HN ARG 71 -0.053 19.311 13.947 471 HA ARG 71 HA ARG 71 -0.547 17.847 15.496 472 HB2 ARG 71 HB2 ARG 71 -2.808 18.763 15.275 473 HB3 ARG 71 HB1 ARG 71 -3.200 17.530 14.081 474 HG2 ARG 71 HG2 ARG 71 -2.904 15.779 15.718 475 HG3 ARG 71 HG1 ARG 71 -2.392 17.011 16.873 476 HD2 ARG 71 HD2 ARG 71 -5.127 16.884 15.609 477 HD3 ARG 71 HD1 ARG 71 -4.747 16.262 17.215 478 HE ARG 71 HE ARG 71 -3.866 18.756 17.379 479 HH11 ARG 71 HH11 ARG 71 -7.008 17.381 16.565 480 HH12 ARG 71 HH12 ARG 71 -7.874 18.825 16.812 481 HH21 ARG 71 HH21 ARG 71 -5.032 20.729 17.734 482 HH22 ARG 71 HH22 ARG 71 -6.719 20.803 17.485 483 H SER 72 HN SER 72 1.125 16.988 14.141 484 HA SER 72 HA SER 72 0.536 14.224 13.459 485 HB2 SER 72 HB2 SER 72 3.265 15.530 13.230 486 HB3 SER 72 HB1 SER 72 2.591 14.107 12.402 487 HG SER 72 HG SER 72 1.068 15.935 11.512 488 H VAL 73 HN VAL 73 1.244 12.734 14.788 489 HA VAL 73 HA VAL 73 2.158 13.496 17.440 490 HB VAL 73 HB VAL 73 0.721 11.210 16.142 491 HG11 VAL 73 HG11 VAL 73 2.555 10.118 17.349 492 HG12 VAL 73 HG12 VAL 73 0.986 9.750 18.023 493 HG13 VAL 73 HG13 VAL 73 2.060 10.919 18.846 494 HG21 VAL 73 HG21 VAL 73 0.283 12.692 18.701 495 HG22 VAL 73 HG22 VAL 73 -0.767 11.447 18.015 496 HG23 VAL 73 HG23 VAL 73 -0.537 12.973 17.161 497 H LEU 74 HN LEU 74 4.353 13.498 17.674 498 HA LEU 74 HA LEU 74 5.848 11.606 16.029 499 HB2 LEU 74 HB2 LEU 74 6.469 14.217 17.223 500 HB3 LEU 74 HB1 LEU 74 7.736 13.007 17.305 501 HG LEU 74 HG LEU 74 7.921 12.877 14.959 502 HD11 LEU 74 HD11 LEU 74 6.461 14.044 13.433 503 HD12 LEU 74 HD12 LEU 74 5.446 14.578 14.797 504 HD13 LEU 74 HD13 LEU 74 5.577 12.868 14.401 505 HD21 LEU 74 HD21 LEU 74 7.514 15.739 15.800 506 HD22 LEU 74 HD22 LEU 74 8.371 15.208 14.359 507 HD23 LEU 74 HD23 LEU 74 8.994 14.792 15.958 508 H SER 75 HN SER 75 6.902 9.988 16.781 509 HA SER 75 HA SER 75 7.141 9.822 19.726 510 HB2 SER 75 HB2 SER 75 7.105 7.372 19.532 511 HB3 SER 75 HB1 SER 75 5.625 8.078 18.884 512 HG SER 75 HG SER 75 6.655 6.402 17.594 513 H GLY 76 HN GLY 76 9.109 9.243 20.580 514 HA2 GLY 76 HA2 GLY 76 11.254 8.946 18.594 515 HA3 GLY 76 HA1 GLY 76 11.429 10.020 19.983 516 H ASP 77 HN ASP 77 12.547 7.275 18.959 517 HA ASP 77 HA ASP 77 13.074 6.482 21.717 518 HB2 ASP 77 HB2 ASP 77 11.011 5.164 20.725 519 HB3 ASP 77 HB1 ASP 77 12.256 4.328 19.800 520 H PHE 78 HN PHE 78 14.719 4.651 21.518 521 HA PHE 78 HA PHE 78 16.795 5.770 19.855 522 HB2 PHE 78 HB2 PHE 78 16.638 3.475 21.718 523 HB3 PHE 78 HB1 PHE 78 18.136 3.786 20.835 524 HD1 PHE 78 HD2 PHE 78 15.741 5.263 23.365 525 HD2 PHE 78 HD1 PHE 78 19.718 5.362 21.772 526 HE1 PHE 78 HE2 PHE 78 16.436 6.768 25.150 527 HE2 PHE 78 HE1 PHE 78 20.383 6.862 23.567 528 HZ PHE 78 HZ PHE 78 18.755 7.576 25.261 529 H THR 79 HN THR 79 17.505 4.871 17.884 530 HA THR 79 HA THR 79 15.689 3.420 16.334 531 HB THR 79 HB THR 79 18.570 3.418 15.786 532 HG1 THR 79 HG1 THR 79 18.500 5.529 15.290 533 HG21 THR 79 HG21 THR 79 16.212 3.983 14.053 534 HG22 THR 79 HG22 THR 79 17.028 2.412 14.180 535 HG23 THR 79 HG23 THR 79 17.884 3.819 13.525 536 H SER 80 HN SER 80 18.009 2.314 18.583 537 HA SER 80 HA SER 80 18.736 -0.148 17.466 538 HB2 SER 80 HB2 SER 80 19.340 -0.430 20.002 539 HB3 SER 80 HB1 SER 80 20.190 0.777 19.021 540 HG SER 80 HG SER 80 19.437 1.712 20.958 541 H ALA 81 HN ALA 81 16.204 0.925 19.704 542 HA ALA 81 HA ALA 81 15.329 -1.747 20.178 543 HB1 ALA 81 HB1 ALA 81 13.670 -0.741 21.692 544 HB2 ALA 81 HB2 ALA 81 14.077 0.858 21.075 545 HB3 ALA 81 HB3 ALA 81 15.268 -0.059 21.994 546 H TYR 82 HN TYR 82 15.134 -0.260 17.651 547 HA TYR 82 HA TYR 82 12.429 -1.011 16.975 548 HB2 TYR 82 HB2 TYR 82 13.792 1.507 16.462 549 HB3 TYR 82 HB1 TYR 82 12.686 0.954 15.209 550 HD1 TYR 82 HD2 TYR 82 12.856 1.548 18.906 551 HD2 TYR 82 HD1 TYR 82 10.460 1.587 15.411 552 HE1 TYR 82 HE2 TYR 82 11.002 2.488 20.198 553 HE2 TYR 82 HE1 TYR 82 8.582 2.537 16.692 554 HH TYR 82 HH TYR 82 9.029 3.764 19.862 555 H ALA 83 HN ALA 83 15.234 0.231 15.197 556 HA ALA 83 HA ALA 83 14.826 -1.916 13.306 557 HB1 ALA 83 HB1 ALA 83 16.238 0.716 12.889 558 HB2 ALA 83 HB2 ALA 83 14.602 0.329 12.358 559 HB3 ALA 83 HB3 ALA 83 15.983 -0.520 11.660 560 H ASP 84 HN ASP 84 17.453 0.052 14.668 561 HA ASP 84 HA ASP 84 19.618 -0.258 15.115 562 HB2 ASP 84 HB2 ASP 84 19.068 -2.027 16.667 563 HB3 ASP 84 HB1 ASP 84 18.816 -3.162 15.354 564 H ASP 85 HN ASP 85 18.821 -3.021 13.203 565 HA ASP 85 HA ASP 85 19.925 -2.192 10.777 566 HB2 ASP 85 HB2 ASP 85 22.090 -2.766 11.976 567 HB3 ASP 85 HB1 ASP 85 21.448 -4.376 12.254 568 H ASP 86 HN ASP 86 17.785 -2.707 10.470 569 HA ASP 86 HA ASP 86 16.748 -5.172 11.423 570 HB2 ASP 86 HB2 ASP 86 15.261 -3.306 11.464 571 HB3 ASP 86 HB1 ASP 86 15.449 -3.050 9.731 572 H GLU 87 HN GLU 87 17.361 -6.919 10.612 573 HA GLU 87 HA GLU 87 17.755 -7.311 7.777 574 HB2 GLU 87 HB2 GLU 87 17.763 -9.198 10.049 575 HB3 GLU 87 HB1 GLU 87 18.325 -9.581 8.416 576 HG2 GLU 87 HG2 GLU 87 20.134 -7.918 8.711 577 HG3 GLU 87 HG1 GLU 87 19.580 -7.639 10.367 578 H SER 88 HN SER 88 15.212 -7.297 9.935 579 HA SER 88 HA SER 88 13.080 -7.894 9.961 580 HB2 SER 88 HB2 SER 88 13.506 -8.405 7.016 581 HB3 SER 88 HB1 SER 88 11.944 -8.235 7.813 582 HG SER 88 HG SER 88 13.267 -6.071 8.487 583 H CYS 89 HN CYS 89 11.514 -9.748 9.007 584 HA CYS 89 HA CYS 89 12.840 -12.322 9.002 585 HB2 CYS 89 HB2 CYS 89 10.368 -11.608 10.641 586 HB3 CYS 89 HB1 CYS 89 11.087 -13.208 10.504 587 HG CYS 89 HG CYS 89 13.518 -11.456 11.451 Start of MODEL 12 1 H GLY 11 HT1 GLY 11 0.890 4.156 -3.033 2 HA2 GLY 11 HA1 GLY 11 2.255 4.236 -4.969 3 HA3 GLY 11 HA2 GLY 11 3.480 5.134 -4.061 4 H ARG 12 HN ARG 12 4.731 3.089 -4.836 5 HA ARG 12 HA ARG 12 4.168 1.007 -2.878 6 HB2 ARG 12 HB2 ARG 12 5.469 -0.639 -4.107 7 HB3 ARG 12 HB1 ARG 12 4.236 0.052 -5.120 8 HG2 ARG 12 HG2 ARG 12 7.141 0.835 -5.233 9 HG3 ARG 12 HG1 ARG 12 6.428 -0.434 -6.216 10 HD2 ARG 12 HD2 ARG 12 4.904 1.257 -7.193 11 HD3 ARG 12 HD1 ARG 12 5.718 2.499 -6.245 12 HE ARG 12 HE ARG 12 7.413 0.872 -7.901 13 HH11 ARG 12 HH11 ARG 12 5.676 3.937 -7.655 14 HH12 ARG 12 HH12 ARG 12 6.464 4.655 -8.977 15 HH21 ARG 12 HH21 ARG 12 8.529 1.894 -9.712 16 HH22 ARG 12 HH22 ARG 12 8.099 3.477 -10.152 17 H GLU 13 HN GLU 13 6.849 2.852 -4.130 18 HA GLU 13 HA GLU 13 8.756 3.558 -3.339 19 HB2 GLU 13 HB2 GLU 13 7.279 3.550 -0.727 20 HB3 GLU 13 HB1 GLU 13 8.789 4.396 -1.034 21 HG2 GLU 13 HG2 GLU 13 7.668 5.681 -2.811 22 HG3 GLU 13 HG1 GLU 13 6.152 4.885 -2.390 23 H ASN 14 HN ASN 14 7.930 1.497 -0.584 24 HA ASN 14 HA ASN 14 10.672 0.492 -0.777 25 HB2 ASN 14 HB2 ASN 14 9.061 1.064 1.686 26 HB3 ASN 14 HB1 ASN 14 10.487 0.041 1.712 27 HD21 ASN 14 HD21 ASN 14 10.003 2.522 3.053 28 HD22 ASN 14 HD22 ASN 14 11.230 3.629 2.535 29 H LEU 15 HN LEU 15 11.122 -1.428 0.203 30 HA LEU 15 HA LEU 15 9.277 -3.574 0.574 31 HB2 LEU 15 HB2 LEU 15 9.746 -3.619 -1.818 32 HB3 LEU 15 HB1 LEU 15 11.487 -3.480 -1.562 33 HG LEU 15 HG LEU 15 11.118 -5.789 -0.376 34 HD11 LEU 15 HD11 LEU 15 8.683 -5.658 -0.378 35 HD12 LEU 15 HD12 LEU 15 9.273 -7.072 -1.252 36 HD13 LEU 15 HD13 LEU 15 8.688 -5.668 -2.142 37 HD21 LEU 15 HD21 LEU 15 11.422 -6.944 -2.498 38 HD22 LEU 15 HD22 LEU 15 12.394 -5.471 -2.429 39 HD23 LEU 15 HD23 LEU 15 10.894 -5.502 -3.360 40 H TYR 16 HN TYR 16 11.007 -5.310 1.325 41 HA TYR 16 HA TYR 16 12.839 -3.717 2.866 42 HB2 TYR 16 HB2 TYR 16 11.784 -5.576 4.073 43 HB3 TYR 16 HB1 TYR 16 12.666 -6.724 3.069 44 HD1 TYR 16 HD1 TYR 16 13.457 -3.655 5.064 45 HD2 TYR 16 HD2 TYR 16 14.674 -7.562 3.916 46 HE1 TYR 16 HE1 TYR 16 15.486 -3.409 6.418 47 HE2 TYR 16 HE2 TYR 16 16.706 -7.337 5.289 48 HH TYR 16 HH TYR 16 17.142 -4.866 7.549 49 H PHE 17 HN PHE 17 14.004 -2.884 1.371 50 HA PHE 17 HA PHE 17 15.887 -4.473 -0.122 51 HB2 PHE 17 HB2 PHE 17 15.806 -1.475 0.410 52 HB3 PHE 17 HB1 PHE 17 16.928 -2.269 -0.690 53 HD1 PHE 17 HD1 PHE 17 16.040 -3.408 -2.725 54 HD2 PHE 17 HD2 PHE 17 13.612 -0.915 -0.276 55 HE1 PHE 17 HE1 PHE 17 14.419 -3.186 -4.560 56 HE2 PHE 17 HE2 PHE 17 11.984 -0.696 -2.108 57 HZ PHE 17 HZ PHE 17 12.386 -1.833 -4.251 58 H GLN 18 HN GLN 18 17.494 -5.404 0.848 59 HA GLN 18 HA GLN 18 18.005 -4.779 3.586 60 HB2 GLN 18 HB2 GLN 18 19.405 -6.838 3.558 61 HB3 GLN 18 HB1 GLN 18 17.726 -7.078 3.119 62 HG2 GLN 18 HG2 GLN 18 18.485 -6.997 0.708 63 HG3 GLN 18 HG1 GLN 18 20.132 -7.080 1.327 64 HE21 GLN 18 HE21 GLN 18 20.782 -8.976 2.405 65 HE22 GLN 18 HE22 GLN 18 19.954 -10.472 2.174 66 H GLY 19 HN GLY 19 18.863 -2.815 3.426 67 HA2 GLY 19 HA2 GLY 19 21.616 -2.659 2.395 68 HA3 GLY 19 HA1 GLY 19 20.560 -1.282 2.675 69 H HIS 20 HN HIS 20 20.431 -3.611 5.107 70 HA HIS 20 HA HIS 20 21.154 -3.810 7.220 71 HB2 HIS 20 HB2 HIS 20 23.440 -3.926 6.347 72 HB3 HIS 20 HB1 HIS 20 23.522 -2.180 6.263 73 HD1 HIS 20 HD1 HIS 20 23.240 -4.917 8.934 74 HD2 HIS 20 HD2 HIS 20 24.648 -1.043 8.407 75 HE1 HIS 20 HE1 HIS 20 24.482 -4.330 11.036 76 H MET 21 HN MET 21 20.936 -2.799 9.230 77 HA MET 21 HA MET 21 19.718 -0.235 8.975 78 HB2 MET 21 HB2 MET 21 19.818 -2.141 11.256 79 HB3 MET 21 HB1 MET 21 19.444 -0.452 11.554 80 HG2 MET 21 HG2 MET 21 17.422 -1.636 11.343 81 HG3 MET 21 HG1 MET 21 17.614 -0.610 9.926 82 HE1 MET 21 HE1 MET 21 15.428 -2.720 10.020 83 HE2 MET 21 HE2 MET 21 15.601 -3.590 8.501 84 HE3 MET 21 HE3 MET 21 15.768 -1.832 8.532 85 H ALA 22 HN ALA 22 21.512 0.832 8.275 86 HA ALA 22 HA ALA 22 23.129 1.804 10.501 87 HB1 ALA 22 HB1 ALA 22 24.458 1.147 8.508 88 HB2 ALA 22 HB2 ALA 22 24.590 2.870 8.849 89 HB3 ALA 22 HB3 ALA 22 23.554 2.315 7.539 90 H TRP 23 HN TRP 23 21.243 2.643 11.285 91 HA TRP 23 HA TRP 23 20.113 4.957 9.916 92 HB2 TRP 23 HB2 TRP 23 19.141 3.194 12.181 93 HB3 TRP 23 HB1 TRP 23 18.413 4.756 11.783 94 HD1 TRP 23 HD1 TRP 23 19.454 2.057 9.381 95 HE1 TRP 23 HE1 TRP 23 17.339 1.361 7.941 96 HE3 TRP 23 HE3 TRP 23 15.992 4.845 11.751 97 HZ2 TRP 23 HZ2 TRP 23 14.531 2.036 7.941 98 HZ3 TRP 23 HZ3 TRP 23 13.672 4.766 11.016 99 HH2 TRP 23 HH2 TRP 23 12.980 3.375 9.147 100 H LYS 24 HN LYS 24 19.334 6.570 11.926 101 HA LYS 24 HA LYS 24 21.904 7.361 13.003 102 HB2 LYS 24 HB2 LYS 24 19.258 8.784 13.141 103 HB3 LYS 24 HB1 LYS 24 20.816 9.391 13.655 104 HG2 LYS 24 HG2 LYS 24 21.706 9.370 11.439 105 HG3 LYS 24 HG1 LYS 24 20.206 8.664 10.798 106 HD2 LYS 24 HD2 LYS 24 19.008 10.653 11.396 107 HD3 LYS 24 HD1 LYS 24 20.447 11.339 12.158 108 HE2 LYS 24 HE2 LYS 24 20.118 12.341 10.005 109 HE3 LYS 24 HE1 LYS 24 21.551 11.325 9.950 110 HZ1 LYS 24 HZ1 LYS 24 18.874 10.517 8.913 111 HZ2 LYS 24 HZ2 LYS 24 20.285 9.638 8.731 112 HZ3 LYS 24 HZ3 LYS 24 20.113 11.128 7.981 113 H ASP 25 HN ASP 25 21.202 8.601 15.293 114 HA ASP 25 HA ASP 25 21.381 6.197 16.845 115 HB2 ASP 25 HB2 ASP 25 22.611 8.603 17.149 116 HB3 ASP 25 HB1 ASP 25 21.389 8.648 18.411 117 H CYS 26 HN CYS 26 19.064 8.530 16.282 118 HA CYS 26 HA CYS 26 17.182 7.290 18.221 119 HB2 CYS 26 HB2 CYS 26 17.337 10.130 17.323 120 HB3 CYS 26 HB1 CYS 26 16.180 9.490 18.485 121 H ILE 27 HN ILE 27 15.105 7.066 17.523 122 HA ILE 27 HA ILE 27 14.761 7.421 14.643 123 HB ILE 27 HB ILE 27 15.133 5.052 15.349 124 HG12 ILE 27 HG12 ILE 27 12.330 5.291 14.304 125 HG13 ILE 27 HG11 ILE 27 13.671 5.848 13.314 126 HG21 ILE 27 HG21 ILE 27 13.312 3.834 16.408 127 HG22 ILE 27 HG22 ILE 27 12.489 5.369 16.694 128 HG23 ILE 27 HG23 ILE 27 14.047 5.046 17.468 129 HD11 ILE 27 HD11 ILE 27 12.942 3.522 12.844 130 HD12 ILE 27 HD12 ILE 27 13.562 3.076 14.469 131 HD13 ILE 27 HD13 ILE 27 14.623 3.740 13.245 132 H ILE 28 HN ILE 28 12.854 8.290 13.968 133 HA ILE 28 HA ILE 28 11.095 9.074 16.159 134 HB ILE 28 HB ILE 28 11.931 10.848 13.853 135 HG12 ILE 28 HG12 ILE 28 13.884 10.593 15.250 136 HG13 ILE 28 HG11 ILE 28 13.214 12.197 15.487 137 HG21 ILE 28 HG21 ILE 28 9.767 11.387 14.631 138 HG22 ILE 28 HG22 ILE 28 10.880 12.657 15.160 139 HG23 ILE 28 HG23 ILE 28 10.320 11.426 16.301 140 HD11 ILE 28 HD11 ILE 28 12.261 11.457 17.629 141 HD12 ILE 28 HD12 ILE 28 14.013 11.230 17.567 142 HD13 ILE 28 HD13 ILE 28 12.947 9.854 17.360 143 H GLN 29 HN GLN 29 9.194 8.182 15.596 144 HA GLN 29 HA GLN 29 8.510 7.805 12.781 145 HB2 GLN 29 HB2 GLN 29 7.365 6.694 15.325 146 HB3 GLN 29 HB1 GLN 29 6.674 6.379 13.743 147 HG2 GLN 29 HG2 GLN 29 8.883 5.344 13.090 148 HG3 GLN 29 HG1 GLN 29 9.419 5.638 14.728 149 HE21 GLN 29 HE21 GLN 29 6.953 4.969 16.042 150 HE22 GLN 29 HE22 GLN 29 6.785 3.261 15.895 151 H ARG 30 HN ARG 30 6.887 8.956 11.840 152 HA ARG 30 HA ARG 30 5.698 11.051 13.495 153 HB2 ARG 30 HB2 ARG 30 6.923 11.584 11.335 154 HB3 ARG 30 HB1 ARG 30 5.614 10.737 10.495 155 HG2 ARG 30 HG2 ARG 30 4.054 12.362 11.780 156 HG3 ARG 30 HG1 ARG 30 5.608 13.181 12.067 157 HD2 ARG 30 HD2 ARG 30 5.850 13.888 9.915 158 HD3 ARG 30 HD1 ARG 30 4.815 12.610 9.250 159 HE ARG 30 HE ARG 30 3.300 14.260 10.928 160 HH11 ARG 30 HH11 ARG 30 4.890 14.754 7.727 161 HH12 ARG 30 HH12 ARG 30 3.588 15.675 7.184 162 HH21 ARG 30 HH21 ARG 30 1.590 15.556 10.041 163 HH22 ARG 30 HH22 ARG 30 1.741 16.125 8.450 164 H TYR 31 HN TYR 31 3.801 10.541 14.296 165 HA TYR 31 HA TYR 31 2.027 8.754 12.863 166 HB2 TYR 31 HB2 TYR 31 2.174 9.795 15.611 167 HB3 TYR 31 HB1 TYR 31 0.642 9.119 15.027 168 HD1 TYR 31 HD2 TYR 31 4.284 8.345 15.420 169 HD2 TYR 31 HD1 TYR 31 0.311 6.861 15.300 170 HE1 TYR 31 HE2 TYR 31 5.106 6.134 16.051 171 HE2 TYR 31 HE1 TYR 31 1.095 4.649 15.928 172 HH TYR 31 HH TYR 31 4.217 4.024 17.093 173 H LYS 32 HN LYS 32 0.774 9.723 11.467 174 HA LYS 32 HA LYS 32 0.221 12.515 11.820 175 HB2 LYS 32 HB2 LYS 32 1.405 11.648 9.830 176 HB3 LYS 32 HB1 LYS 32 -0.065 10.732 9.503 177 HG2 LYS 32 HG2 LYS 32 -0.119 13.669 9.734 178 HG3 LYS 32 HG1 LYS 32 0.442 12.896 8.240 179 HD2 LYS 32 HD2 LYS 32 -1.668 11.668 8.022 180 HD3 LYS 32 HD1 LYS 32 -2.269 12.415 9.500 181 HE2 LYS 32 HE2 LYS 32 -1.468 13.993 7.071 182 HE3 LYS 32 HE1 LYS 32 -3.104 13.380 7.306 183 HZ1 LYS 32 HZ1 LYS 32 -1.680 15.338 9.080 184 HZ2 LYS 32 HZ2 LYS 32 -3.198 14.631 9.370 185 HZ3 LYS 32 HZ3 LYS 32 -2.988 15.618 8.045 186 H ASP 33 HN ASP 33 -1.645 12.964 12.633 187 HA ASP 33 HA ASP 33 -3.649 12.782 13.570 188 HB2 ASP 33 HB2 ASP 33 -4.198 11.368 11.056 189 HB3 ASP 33 HB1 ASP 33 -5.493 11.661 12.208 190 H GLY 34 HN GLY 34 -1.771 10.861 14.316 191 HA2 GLY 34 HA2 GLY 34 -2.061 9.487 16.198 192 HA3 GLY 34 HA1 GLY 34 -3.683 9.132 15.600 193 H ASP 35 HN ASP 35 -2.033 8.598 12.822 194 HA ASP 35 HA ASP 35 -1.160 5.970 13.702 195 HB2 ASP 35 HB2 ASP 35 -1.847 5.028 11.687 196 HB3 ASP 35 HB1 ASP 35 -3.265 5.715 12.445 197 H VAL 36 HN VAL 36 0.395 5.076 12.383 198 HA VAL 36 HA VAL 36 2.355 7.152 12.041 199 HB VAL 36 HB VAL 36 3.063 5.167 13.189 200 HG11 VAL 36 HG11 VAL 36 1.790 3.493 12.137 201 HG12 VAL 36 HG12 VAL 36 3.492 3.052 11.990 202 HG13 VAL 36 HG13 VAL 36 2.616 3.731 10.602 203 HG21 VAL 36 HG21 VAL 36 4.533 5.608 10.610 204 HG22 VAL 36 HG22 VAL 36 5.208 4.825 12.055 205 HG23 VAL 36 HG23 VAL 36 4.721 6.524 12.103 206 H ASN 37 HN ASN 37 2.903 8.189 10.326 207 HA ASN 37 HA ASN 37 1.969 7.141 7.738 208 HB2 ASN 37 HB2 ASN 37 1.041 9.300 8.490 209 HB3 ASN 37 HB1 ASN 37 2.666 9.942 8.394 210 HD21 ASN 37 HD21 ASN 37 -0.025 8.796 6.598 211 HD22 ASN 37 HD22 ASN 37 0.473 9.319 5.030 212 H ASN 38 HN ASN 38 4.596 8.987 9.268 213 HA ASN 38 HA ASN 38 6.300 8.251 7.041 214 HB2 ASN 38 HB2 ASN 38 6.592 10.656 8.842 215 HB3 ASN 38 HB1 ASN 38 7.446 10.298 7.352 216 HD21 ASN 38 HD21 ASN 38 6.505 10.816 5.389 217 HD22 ASN 38 HD22 ASN 38 5.041 11.720 5.302 218 H ILE 39 HN ILE 39 8.494 7.837 7.602 219 HA ILE 39 HA ILE 39 9.010 7.263 10.428 220 HB ILE 39 HB ILE 39 9.645 5.609 7.991 221 HG12 ILE 39 HG12 ILE 39 8.934 3.687 9.490 222 HG13 ILE 39 HG11 ILE 39 8.427 4.891 10.653 223 HG21 ILE 39 HG21 ILE 39 11.161 5.331 10.576 224 HG22 ILE 39 HG22 ILE 39 11.806 5.749 8.985 225 HG23 ILE 39 HG23 ILE 39 11.133 4.158 9.270 226 HD11 ILE 39 HD11 ILE 39 6.542 4.055 9.411 227 HD12 ILE 39 HD12 ILE 39 7.314 4.473 7.887 228 HD13 ILE 39 HD13 ILE 39 6.808 5.749 8.996 229 H TYR 40 HN TYR 40 10.678 8.424 11.229 230 HA TYR 40 HA TYR 40 12.709 9.400 9.366 231 HB2 TYR 40 HB2 TYR 40 11.659 10.985 11.771 232 HB3 TYR 40 HB1 TYR 40 12.861 11.470 10.597 233 HD1 TYR 40 HD2 TYR 40 12.212 11.711 8.213 234 HD2 TYR 40 HD1 TYR 40 9.286 11.533 11.313 235 HE1 TYR 40 HE2 TYR 40 10.556 12.694 6.717 236 HE2 TYR 40 HE1 TYR 40 7.643 12.508 9.796 237 HH TYR 40 HH TYR 40 7.603 13.946 7.515 238 H THR 41 HN THR 41 14.709 9.971 10.581 239 HA THR 41 HA THR 41 15.015 8.941 13.184 240 HB THR 41 HB THR 41 15.438 6.900 12.342 241 HG1 THR 41 HG1 THR 41 17.159 7.413 13.598 242 HG21 THR 41 HG21 THR 41 16.917 8.050 9.958 243 HG22 THR 41 HG22 THR 41 15.333 7.238 9.998 244 HG23 THR 41 HG23 THR 41 16.775 6.331 10.350 245 H ALA 42 HN ALA 42 16.795 9.753 14.195 246 HA ALA 42 HA ALA 42 18.308 11.876 12.859 247 HB1 ALA 42 HB1 ALA 42 17.651 13.500 14.555 248 HB2 ALA 42 HB2 ALA 42 16.588 12.304 15.290 249 HB3 ALA 42 HB3 ALA 42 16.227 12.925 13.677 250 H ASN 43 HN ASN 43 20.160 12.418 14.078 251 HA ASN 43 HA ASN 43 21.058 10.411 15.928 252 HB2 ASN 43 HB2 ASN 43 22.244 12.979 14.938 253 HB3 ASN 43 HB1 ASN 43 22.998 12.082 16.248 254 HD21 ASN 43 HD21 ASN 43 23.854 12.677 13.504 255 HD22 ASN 43 HD22 ASN 43 24.238 11.164 12.781 256 H ARG 44 HN ARG 44 21.843 10.863 18.123 257 HA ARG 44 HA ARG 44 19.929 12.262 19.612 258 HB2 ARG 44 HB2 ARG 44 21.675 11.856 21.515 259 HB3 ARG 44 HB1 ARG 44 20.827 10.510 20.744 260 HG2 ARG 44 HG2 ARG 44 22.671 9.796 19.642 261 HG3 ARG 44 HG1 ARG 44 23.535 11.312 19.795 262 HD2 ARG 44 HD2 ARG 44 23.838 10.963 22.114 263 HD3 ARG 44 HD1 ARG 44 22.755 9.564 22.132 264 HE ARG 44 HE ARG 44 24.391 8.564 20.570 265 HH11 ARG 44 HH11 ARG 44 25.423 10.827 23.126 266 HH12 ARG 44 HH12 ARG 44 26.989 10.191 23.266 267 HH21 ARG 44 HH21 ARG 44 26.548 7.651 20.831 268 HH22 ARG 44 HH22 ARG 44 27.658 8.343 21.918 269 H ASN 45 HN ASN 45 19.696 14.224 19.918 270 HA ASN 45 HA ASN 45 19.851 16.416 20.040 271 HB2 ASN 45 HB2 ASN 45 22.814 16.276 20.105 272 HB3 ASN 45 HB1 ASN 45 21.793 17.700 20.366 273 HD21 ASN 45 HD21 ASN 45 23.273 14.985 21.757 274 HD22 ASN 45 HD22 ASN 45 22.775 15.276 23.396 275 H GLU 46 HN GLU 46 19.065 15.863 17.841 276 HA GLU 46 HA GLU 46 20.642 17.375 16.022 277 HB2 GLU 46 HB2 GLU 46 21.329 15.159 15.415 278 HB3 GLU 46 HB1 GLU 46 19.667 14.572 15.451 279 HG2 GLU 46 HG2 GLU 46 19.087 15.868 13.552 280 HG3 GLU 46 HG1 GLU 46 20.630 16.710 13.664 281 H GLU 47 HN GLU 47 19.418 18.723 14.918 282 HA GLU 47 HA GLU 47 16.568 18.440 15.205 283 HB2 GLU 47 HB2 GLU 47 17.584 20.565 15.894 284 HB3 GLU 47 HB1 GLU 47 18.204 20.792 14.260 285 HG2 GLU 47 HG2 GLU 47 15.806 20.742 13.494 286 HG3 GLU 47 HG1 GLU 47 15.361 20.810 15.194 287 H ILE 48 HN ILE 48 15.591 17.466 13.681 288 HA ILE 48 HA ILE 48 16.580 17.386 10.971 289 HB ILE 48 HB ILE 48 14.698 15.818 10.582 290 HG12 ILE 48 HG12 ILE 48 14.159 16.178 13.544 291 HG13 ILE 48 HG11 ILE 48 13.131 16.609 12.185 292 HG21 ILE 48 HG21 ILE 48 16.526 14.996 12.817 293 HG22 ILE 48 HG22 ILE 48 16.829 14.856 11.075 294 HG23 ILE 48 HG23 ILE 48 15.552 13.910 11.829 295 HD11 ILE 48 HD11 ILE 48 12.352 14.587 13.280 296 HD12 ILE 48 HD12 ILE 48 13.894 13.801 12.910 297 HD13 ILE 48 HD13 ILE 48 12.821 14.305 11.601 298 H THR 49 HN THR 49 14.396 17.357 9.439 299 HA THR 49 HA THR 49 12.574 19.395 10.338 300 HB THR 49 HB THR 49 13.427 19.314 7.528 301 HG1 THR 49 HG1 THR 49 14.970 19.984 9.648 302 HG21 THR 49 HG21 THR 49 12.472 21.521 9.338 303 HG22 THR 49 HG22 THR 49 11.494 20.656 8.160 304 HG23 THR 49 HG23 THR 49 12.805 21.723 7.618 305 H ILE 50 HN ILE 50 10.555 18.891 9.782 306 HA ILE 50 HA ILE 50 10.098 16.505 8.150 307 HB ILE 50 HB ILE 50 8.700 17.342 10.697 308 HG12 ILE 50 HG12 ILE 50 10.223 14.841 10.009 309 HG13 ILE 50 HG11 ILE 50 10.858 16.201 10.929 310 HG21 ILE 50 HG21 ILE 50 8.017 15.051 8.862 311 HG22 ILE 50 HG22 ILE 50 7.058 16.512 9.092 312 HG23 ILE 50 HG23 ILE 50 7.278 15.379 10.430 313 HD11 ILE 50 HD11 ILE 50 9.099 15.805 12.613 314 HD12 ILE 50 HD12 ILE 50 10.164 14.402 12.425 315 HD13 ILE 50 HD13 ILE 50 8.556 14.405 11.693 316 H GLU 51 HN GLU 51 9.140 17.482 6.321 317 HA GLU 51 HA GLU 51 7.774 18.755 5.037 318 HB2 GLU 51 HB2 GLU 51 6.083 18.160 7.436 319 HB3 GLU 51 HB1 GLU 51 5.445 19.139 6.127 320 HG2 GLU 51 HG2 GLU 51 4.768 16.851 5.871 321 HG3 GLU 51 HG1 GLU 51 5.844 17.362 4.573 322 H GLU 52 HN GLU 52 9.618 20.139 6.280 323 HA GLU 52 HA GLU 52 10.437 22.126 6.727 324 HB2 GLU 52 HB2 GLU 52 7.836 23.085 5.614 325 HB3 GLU 52 HB1 GLU 52 9.113 24.198 6.085 326 HG2 GLU 52 HG2 GLU 52 9.262 22.071 3.981 327 HG3 GLU 52 HG1 GLU 52 9.272 23.841 3.837 328 H TYR 53 HN TYR 53 8.615 20.752 8.806 329 HA TYR 53 HA TYR 53 8.671 23.003 10.684 330 HB2 TYR 53 HB2 TYR 53 7.736 20.160 11.176 331 HB3 TYR 53 HB1 TYR 53 7.398 21.583 12.145 332 HD1 TYR 53 HD2 TYR 53 6.160 23.509 10.631 333 HD2 TYR 53 HD1 TYR 53 5.979 19.310 10.016 334 HE1 TYR 53 HE2 TYR 53 4.029 23.781 9.425 335 HE2 TYR 53 HE1 TYR 53 3.867 19.558 8.812 336 HH TYR 53 HH TYR 53 2.602 22.666 7.940 337 H LYS 54 HN LYS 54 10.526 23.104 11.958 338 HA LYS 54 HA LYS 54 12.259 20.835 11.660 339 HB2 LYS 54 HB2 LYS 54 14.016 22.037 12.616 340 HB3 LYS 54 HB1 LYS 54 13.280 23.091 11.405 341 HG2 LYS 54 HG2 LYS 54 12.609 23.243 14.281 342 HG3 LYS 54 HG1 LYS 54 14.112 23.957 13.704 343 HD2 LYS 54 HD2 LYS 54 11.377 24.657 12.617 344 HD3 LYS 54 HD1 LYS 54 12.173 25.588 13.889 345 HE2 LYS 54 HE2 LYS 54 13.189 25.135 11.074 346 HE3 LYS 54 HE1 LYS 54 12.505 26.626 11.710 347 HZ1 LYS 54 HZ1 LYS 54 14.351 26.794 13.257 348 HZ2 LYS 54 HZ2 LYS 54 14.898 26.701 11.681 349 HZ3 LYS 54 HZ3 LYS 54 15.038 25.367 12.667 350 H VAL 55 HN VAL 55 13.066 19.650 13.253 351 HA VAL 55 HA VAL 55 11.624 19.707 15.820 352 HB VAL 55 HB VAL 55 12.036 17.285 14.056 353 HG11 VAL 55 HG11 VAL 55 10.722 17.496 16.758 354 HG12 VAL 55 HG12 VAL 55 12.270 16.733 16.405 355 HG13 VAL 55 HG13 VAL 55 10.784 16.047 15.749 356 HG21 VAL 55 HG21 VAL 55 10.218 18.641 13.234 357 HG22 VAL 55 HG22 VAL 55 9.523 18.735 14.851 358 HG23 VAL 55 HG23 VAL 55 9.561 17.189 14.001 359 H PHE 56 HN PHE 56 13.021 19.536 17.466 360 HA PHE 56 HA PHE 56 15.757 18.666 16.915 361 HB2 PHE 56 HB2 PHE 56 15.660 20.830 17.946 362 HB3 PHE 56 HB1 PHE 56 14.515 20.250 19.166 363 HD1 PHE 56 HD1 PHE 56 17.976 19.665 17.919 364 HD2 PHE 56 HD2 PHE 56 15.292 19.569 21.216 365 HE1 PHE 56 HE1 PHE 56 19.829 19.087 19.406 366 HE2 PHE 56 HE2 PHE 56 17.130 18.993 22.712 367 HZ PHE 56 HZ PHE 56 19.424 18.744 21.816 368 H VAL 57 HN VAL 57 16.239 16.669 17.342 369 HA VAL 57 HA VAL 57 14.681 15.219 19.337 370 HB VAL 57 HB VAL 57 16.833 14.232 17.440 371 HG11 VAL 57 HG11 VAL 57 16.651 12.871 19.477 372 HG12 VAL 57 HG12 VAL 57 16.054 11.983 18.076 373 HG13 VAL 57 HG13 VAL 57 14.918 12.706 19.215 374 HG21 VAL 57 HG21 VAL 57 13.845 13.979 17.335 375 HG22 VAL 57 HG22 VAL 57 14.976 13.196 16.235 376 HG23 VAL 57 HG23 VAL 57 14.841 14.964 16.259 377 H ASN 58 HN ASN 58 15.376 15.155 21.298 378 HA ASN 58 HA ASN 58 17.937 16.180 22.034 379 HB2 ASN 58 HB2 ASN 58 15.728 16.431 23.259 380 HB3 ASN 58 HB1 ASN 58 15.903 14.752 23.783 381 HD21 ASN 58 HD21 ASN 58 15.599 17.108 25.382 382 HD22 ASN 58 HD22 ASN 58 17.007 17.249 26.347 383 H GLU 59 HN GLU 59 18.985 14.704 23.806 384 HA GLU 59 HA GLU 59 19.960 12.543 22.212 385 HB2 GLU 59 HB2 GLU 59 21.719 12.181 23.954 386 HB3 GLU 59 HB1 GLU 59 21.706 13.713 23.105 387 HG2 GLU 59 HG2 GLU 59 20.671 14.768 25.000 388 HG3 GLU 59 HG1 GLU 59 20.653 13.239 25.883 389 H ALA 60 HN ALA 60 17.562 12.474 24.453 390 HA ALA 60 HA ALA 60 18.167 9.712 25.036 391 HB1 ALA 60 HB1 ALA 60 17.294 11.048 26.908 392 HB2 ALA 60 HB2 ALA 60 16.275 9.671 26.509 393 HB3 ALA 60 HB3 ALA 60 15.784 11.286 26.005 394 H CYS 61 HN CYS 61 17.272 11.186 22.522 395 HA CYS 61 HA CYS 61 16.174 10.713 20.602 396 HB2 CYS 61 HB2 CYS 61 15.821 8.025 21.921 397 HB3 CYS 61 HB1 CYS 61 15.596 8.372 20.207 398 H HIS 62 HN HIS 62 14.893 12.288 22.000 399 HA HIS 62 HA HIS 62 12.172 11.447 21.456 400 HB2 HIS 62 HB2 HIS 62 12.729 11.413 24.015 401 HB3 HIS 62 HB1 HIS 62 12.705 13.170 23.882 402 HD1 HIS 62 HD1 HIS 62 10.470 13.835 24.953 403 HD2 HIS 62 HD2 HIS 62 10.122 10.565 22.411 404 HE1 HIS 62 HE1 HIS 62 8.022 13.312 24.808 405 HA PRO 63 HA PRO 63 12.723 15.209 19.182 406 HB2 PRO 63 HB2 PRO 63 10.476 15.085 17.791 407 HB3 PRO 63 HB1 PRO 63 11.752 13.876 17.527 408 HG2 PRO 63 HG2 PRO 63 9.248 13.623 19.114 409 HG3 PRO 63 HG1 PRO 63 9.987 12.472 17.980 410 HD2 PRO 63 HD2 PRO 63 10.273 12.266 20.665 411 HD3 PRO 63 HD1 PRO 63 11.474 11.709 19.491 412 H TYR 64 HN TYR 64 12.160 17.282 19.371 413 HA TYR 64 HA TYR 64 9.593 17.891 20.537 414 HB2 TYR 64 HB2 TYR 64 12.146 19.392 21.065 415 HB3 TYR 64 HB1 TYR 64 10.534 19.999 21.470 416 HD1 TYR 64 HD1 TYR 64 9.110 18.559 23.002 417 HD2 TYR 64 HD2 TYR 64 13.219 18.149 22.391 418 HE1 TYR 64 HE1 TYR 64 9.279 17.370 25.211 419 HE2 TYR 64 HE2 TYR 64 13.489 16.936 24.600 420 HH TYR 64 HH TYR 64 10.837 15.762 26.326 421 HA PRO 65 HA PRO 65 8.324 19.224 20.794 422 HB2 PRO 65 HB2 PRO 65 6.031 20.046 19.707 423 HB3 PRO 65 HB1 PRO 65 7.243 21.200 20.302 424 HG2 PRO 65 HG2 PRO 65 6.672 20.317 17.578 425 HG3 PRO 65 HG1 PRO 65 7.106 21.965 18.214 426 HD2 PRO 65 HD2 PRO 65 8.798 20.206 16.887 427 HD3 PRO 65 HD1 PRO 65 9.313 21.535 17.943 428 H VAL 66 HN VAL 66 6.536 17.758 21.097 429 HA VAL 66 HA VAL 66 6.868 15.443 19.441 430 HB VAL 66 HB VAL 66 5.173 15.874 21.914 431 HG11 VAL 66 HG11 VAL 66 6.051 13.305 20.575 432 HG12 VAL 66 HG12 VAL 66 4.408 13.932 20.598 433 HG13 VAL 66 HG13 VAL 66 5.177 13.413 22.102 434 HG21 VAL 66 HG21 VAL 66 7.927 14.713 21.575 435 HG22 VAL 66 HG22 VAL 66 7.031 14.753 23.094 436 HG23 VAL 66 HG23 VAL 66 7.532 16.255 22.311 437 H ILE 67 HN ILE 67 4.440 17.903 19.940 438 HA ILE 67 HA ILE 67 2.887 16.597 17.910 439 HB ILE 67 HB ILE 67 2.032 18.579 19.983 440 HG12 ILE 67 HG12 ILE 67 1.558 16.300 20.601 441 HG13 ILE 67 HG11 ILE 67 0.091 17.145 20.063 442 HG21 ILE 67 HG21 ILE 67 0.470 18.119 17.449 443 HG22 ILE 67 HG22 ILE 67 1.235 19.626 17.941 444 HG23 ILE 67 HG23 ILE 67 -0.114 18.976 18.874 445 HD11 ILE 67 HD11 ILE 67 1.572 15.202 18.338 446 HD12 ILE 67 HD12 ILE 67 0.066 16.043 17.989 447 HD13 ILE 67 HD13 ILE 67 0.122 14.856 19.283 448 H LEU 68 HN LEU 68 2.945 17.211 16.085 449 HA LEU 68 HA LEU 68 4.304 19.673 15.296 450 HB2 LEU 68 HB2 LEU 68 3.173 17.431 13.623 451 HB3 LEU 68 HB1 LEU 68 3.946 18.845 12.948 452 HG LEU 68 HG LEU 68 5.220 16.662 14.580 453 HD11 LEU 68 HD11 LEU 68 6.571 16.401 12.565 454 HD12 LEU 68 HD12 LEU 68 5.660 17.710 11.807 455 HD13 LEU 68 HD13 LEU 68 4.844 16.201 12.223 456 HD21 LEU 68 HD21 LEU 68 6.430 19.274 13.650 457 HD22 LEU 68 HD22 LEU 68 7.324 17.911 14.311 458 HD23 LEU 68 HD23 LEU 68 6.179 18.779 15.328 459 HA PRO 69 HA PRO 69 0.830 22.226 14.588 460 HB2 PRO 69 HB2 PRO 69 1.487 22.746 11.812 461 HB3 PRO 69 HB1 PRO 69 1.487 23.873 13.192 462 HG2 PRO 69 HG2 PRO 69 3.799 23.170 12.131 463 HG3 PRO 69 HG1 PRO 69 3.592 23.259 13.902 464 HD2 PRO 69 HD2 PRO 69 3.492 20.852 12.149 465 HD3 PRO 69 HD1 PRO 69 4.442 21.044 13.624 466 H ASP 70 HN ASP 70 1.317 19.753 12.400 467 HA ASP 70 HA ASP 70 -1.257 19.876 11.117 468 HB2 ASP 70 HB2 ASP 70 0.710 19.211 9.815 469 HB3 ASP 70 HB1 ASP 70 1.015 17.878 10.909 470 H ARG 71 HN ARG 71 -0.268 18.971 14.063 471 HA ARG 71 HA ARG 71 -0.829 17.576 15.692 472 HB2 ARG 71 HB2 ARG 71 -3.100 18.356 15.442 473 HB3 ARG 71 HB1 ARG 71 -3.394 17.214 14.142 474 HG2 ARG 71 HG2 ARG 71 -3.309 15.363 15.614 475 HG3 ARG 71 HG1 ARG 71 -2.720 16.421 16.902 476 HD2 ARG 71 HD2 ARG 71 -5.403 16.734 15.579 477 HD3 ARG 71 HD1 ARG 71 -5.156 15.836 17.083 478 HE ARG 71 HE ARG 71 -4.165 17.924 17.946 479 HH11 ARG 71 HH11 ARG 71 -6.804 17.972 15.579 480 HH12 ARG 71 HH12 ARG 71 -7.269 19.575 15.898 481 HH21 ARG 71 HH21 ARG 71 -4.851 20.114 18.434 482 HH22 ARG 71 HH22 ARG 71 -6.141 20.828 17.597 483 H SER 72 HN SER 72 0.937 16.729 14.545 484 HA SER 72 HA SER 72 0.395 13.941 14.019 485 HB2 SER 72 HB2 SER 72 2.891 15.408 13.069 486 HB3 SER 72 HB1 SER 72 2.262 13.819 12.577 487 HG SER 72 HG SER 72 0.346 15.528 12.097 488 H VAL 73 HN VAL 73 1.417 12.562 15.198 489 HA VAL 73 HA VAL 73 2.491 13.362 17.773 490 HB VAL 73 HB VAL 73 1.106 11.032 16.515 491 HG11 VAL 73 HG11 VAL 73 2.747 10.681 19.040 492 HG12 VAL 73 HG12 VAL 73 3.074 9.971 17.457 493 HG13 VAL 73 HG13 VAL 73 1.622 9.506 18.318 494 HG21 VAL 73 HG21 VAL 73 0.795 12.377 19.165 495 HG22 VAL 73 HG22 VAL 73 -0.189 11.045 18.554 496 HG23 VAL 73 HG23 VAL 73 -0.205 12.601 17.722 497 H LEU 74 HN LEU 74 4.686 13.306 17.964 498 HA LEU 74 HA LEU 74 6.045 11.519 16.131 499 HB2 LEU 74 HB2 LEU 74 6.826 14.042 17.404 500 HB3 LEU 74 HB1 LEU 74 8.039 12.771 17.401 501 HG LEU 74 HG LEU 74 8.139 12.675 15.066 502 HD11 LEU 74 HD11 LEU 74 6.752 13.982 13.584 503 HD12 LEU 74 HD12 LEU 74 5.765 14.521 14.958 504 HD13 LEU 74 HD13 LEU 74 5.808 12.814 14.501 505 HD21 LEU 74 HD21 LEU 74 9.337 14.503 16.072 506 HD22 LEU 74 HD22 LEU 74 7.927 15.552 15.905 507 HD23 LEU 74 HD23 LEU 74 8.760 14.949 14.469 508 H SER 75 HN SER 75 6.756 9.736 16.672 509 HA SER 75 HA SER 75 6.890 9.048 19.523 510 HB2 SER 75 HB2 SER 75 5.396 7.636 18.163 511 HB3 SER 75 HB1 SER 75 6.710 7.310 17.043 512 HG SER 75 HG SER 75 6.364 6.394 19.692 513 H GLY 76 HN GLY 76 8.929 8.992 20.350 514 HA2 GLY 76 HA2 GLY 76 11.081 8.558 18.397 515 HA3 GLY 76 HA1 GLY 76 11.167 9.807 19.641 516 H ASP 77 HN ASP 77 12.648 7.217 18.977 517 HA ASP 77 HA ASP 77 13.325 6.713 21.752 518 HB2 ASP 77 HB2 ASP 77 11.298 5.110 21.105 519 HB3 ASP 77 HB1 ASP 77 12.551 4.254 20.215 520 H PHE 78 HN PHE 78 14.987 4.863 21.621 521 HA PHE 78 HA PHE 78 17.028 5.878 19.846 522 HB2 PHE 78 HB2 PHE 78 16.886 3.550 21.677 523 HB3 PHE 78 HB1 PHE 78 18.367 3.919 20.794 524 HD1 PHE 78 HD1 PHE 78 16.066 5.030 23.523 525 HD2 PHE 78 HD2 PHE 78 19.866 5.611 21.653 526 HE1 PHE 78 HE1 PHE 78 16.802 6.387 25.408 527 HE2 PHE 78 HE2 PHE 78 20.580 6.981 23.550 528 HZ PHE 78 HZ PHE 78 19.052 7.371 25.434 529 H THR 79 HN THR 79 17.734 4.842 17.912 530 HA THR 79 HA THR 79 15.911 3.216 16.509 531 HB THR 79 HB THR 79 18.742 3.360 15.801 532 HG1 THR 79 HG1 THR 79 18.598 5.479 15.346 533 HG21 THR 79 HG21 THR 79 16.195 3.771 14.320 534 HG22 THR 79 HG22 THR 79 17.230 2.330 14.266 535 HG23 THR 79 HG23 THR 79 17.800 3.884 13.611 536 H SER 80 HN SER 80 18.219 2.458 18.802 537 HA SER 80 HA SER 80 19.166 -0.071 17.954 538 HB2 SER 80 HB2 SER 80 20.084 1.418 19.804 539 HB3 SER 80 HB1 SER 80 18.744 0.869 20.786 540 HG SER 80 HG SER 80 20.802 -0.727 19.681 541 H ALA 81 HN ALA 81 16.428 1.042 19.817 542 HA ALA 81 HA ALA 81 15.511 -1.630 20.314 543 HB1 ALA 81 HB1 ALA 81 15.479 -0.005 22.159 544 HB2 ALA 81 HB2 ALA 81 13.838 -0.544 21.801 545 HB3 ALA 81 HB3 ALA 81 14.401 1.028 21.231 546 H TYR 82 HN TYR 82 15.491 -0.210 17.770 547 HA TYR 82 HA TYR 82 12.830 -0.809 16.897 548 HB2 TYR 82 HB2 TYR 82 14.122 1.801 16.874 549 HB3 TYR 82 HB1 TYR 82 13.215 1.379 15.425 550 HD1 TYR 82 HD1 TYR 82 12.950 1.967 19.103 551 HD2 TYR 82 HD2 TYR 82 10.880 1.570 15.418 552 HE1 TYR 82 HE1 TYR 82 10.898 2.844 20.160 553 HE2 TYR 82 HE2 TYR 82 8.830 2.435 16.459 554 HH TYR 82 HH TYR 82 8.820 3.995 19.438 555 H ALA 83 HN ALA 83 13.035 -0.083 14.327 556 HA ALA 83 HA ALA 83 13.764 -0.610 12.310 557 HB1 ALA 83 HB1 ALA 83 15.990 -0.223 11.703 558 HB2 ALA 83 HB2 ALA 83 16.516 -0.337 13.397 559 HB3 ALA 83 HB3 ALA 83 15.482 1.020 12.868 560 H ASP 84 HN ASP 84 13.089 -2.415 12.068 561 HA ASP 84 HA ASP 84 12.897 -4.634 11.617 562 HB2 ASP 84 HB2 ASP 84 15.092 -4.763 10.635 563 HB3 ASP 84 HB1 ASP 84 15.841 -4.754 12.228 564 H ASP 85 HN ASP 85 14.641 -3.897 14.575 565 HA ASP 85 HA ASP 85 13.271 -6.179 15.818 566 HB2 ASP 85 HB2 ASP 85 15.715 -5.952 16.263 567 HB3 ASP 85 HB1 ASP 85 15.403 -4.398 17.024 568 H ASP 86 HN ASP 86 11.820 -5.892 17.536 569 HA ASP 86 HA ASP 86 10.796 -3.144 17.724 570 HB2 ASP 86 HB2 ASP 86 9.442 -4.736 16.428 571 HB3 ASP 86 HB1 ASP 86 9.311 -5.760 17.828 572 H GLU 87 HN GLU 87 11.745 -2.506 19.628 573 HA GLU 87 HA GLU 87 11.065 -3.971 22.075 574 HB2 GLU 87 HB2 GLU 87 13.529 -2.620 21.206 575 HB3 GLU 87 HB1 GLU 87 13.228 -2.923 22.919 576 HG2 GLU 87 HG2 GLU 87 13.421 -5.045 20.781 577 HG3 GLU 87 HG1 GLU 87 14.789 -4.507 21.745 578 H SER 88 HN SER 88 11.525 -2.381 23.902 579 HA SER 88 HA SER 88 10.981 0.437 23.306 580 HB2 SER 88 HB2 SER 88 8.876 -0.616 24.181 581 HB3 SER 88 HB1 SER 88 9.774 -1.220 25.566 582 HG SER 88 HG SER 88 9.710 1.535 24.986 583 H CYS 89 HN CYS 89 11.782 -1.946 25.786 584 HA CYS 89 HA CYS 89 14.412 -1.410 26.175 585 HB2 CYS 89 HB2 CYS 89 13.543 0.802 27.133 586 HB3 CYS 89 HB1 CYS 89 12.664 -0.139 28.330 587 HG CYS 89 HG CYS 89 16.056 0.073 27.993 Start of MODEL 13 1 H GLY 11 HT1 GLY 11 13.566 8.255 -9.145 2 HA2 GLY 11 HA1 GLY 11 14.447 9.146 -7.096 3 HA3 GLY 11 HA2 GLY 11 12.705 8.932 -6.995 4 H ARG 12 HN ARG 12 11.904 7.654 -5.392 5 HA ARG 12 HA ARG 12 13.857 6.545 -3.533 6 HB2 ARG 12 HB2 ARG 12 12.103 7.958 -2.545 7 HB3 ARG 12 HB1 ARG 12 10.865 6.929 -3.248 8 HG2 ARG 12 HG2 ARG 12 11.594 5.068 -1.860 9 HG3 ARG 12 HG1 ARG 12 12.870 6.064 -1.177 10 HD2 ARG 12 HD2 ARG 12 11.248 7.511 -0.129 11 HD3 ARG 12 HD1 ARG 12 9.915 6.661 -0.919 12 HE ARG 12 HE ARG 12 11.230 4.706 0.380 13 HH11 ARG 12 HH11 ARG 12 9.764 7.714 1.554 14 HH12 ARG 12 HH12 ARG 12 9.449 7.129 3.115 15 HH21 ARG 12 HH21 ARG 12 10.835 3.901 2.497 16 HH22 ARG 12 HH22 ARG 12 10.053 4.867 3.656 17 H GLU 13 HN GLU 13 14.304 4.466 -3.480 18 HA GLU 13 HA GLU 13 12.506 2.633 -4.891 19 HB2 GLU 13 HB2 GLU 13 15.342 2.168 -3.955 20 HB3 GLU 13 HB1 GLU 13 14.377 1.066 -4.926 21 HG2 GLU 13 HG2 GLU 13 14.343 2.690 -6.741 22 HG3 GLU 13 HG1 GLU 13 15.294 3.802 -5.760 23 H ASN 14 HN ASN 14 14.292 3.119 -1.888 24 HA ASN 14 HA ASN 14 12.278 1.576 -0.446 25 HB2 ASN 14 HB2 ASN 14 15.242 1.006 -0.154 26 HB3 ASN 14 HB1 ASN 14 13.979 0.394 0.878 27 HD21 ASN 14 HD21 ASN 14 15.570 0.146 -2.161 28 HD22 ASN 14 HD22 ASN 14 14.860 -1.367 -2.626 29 H LEU 15 HN LEU 15 15.532 2.885 0.122 30 HA LEU 15 HA LEU 15 14.931 4.927 1.967 31 HB2 LEU 15 HB2 LEU 15 14.060 2.821 3.079 32 HB3 LEU 15 HB1 LEU 15 15.682 2.182 3.031 33 HG LEU 15 HG LEU 15 16.275 4.121 4.596 34 HD11 LEU 15 HD11 LEU 15 14.282 5.488 4.134 35 HD12 LEU 15 HD12 LEU 15 14.422 5.080 5.843 36 HD13 LEU 15 HD13 LEU 15 13.267 4.224 4.823 37 HD21 LEU 15 HD21 LEU 15 14.316 2.018 5.471 38 HD22 LEU 15 HD22 LEU 15 15.457 2.892 6.503 39 HD23 LEU 15 HD23 LEU 15 16.054 1.796 5.264 40 H TYR 16 HN TYR 16 17.173 4.830 3.376 41 HA TYR 16 HA TYR 16 19.358 4.450 1.528 42 HB2 TYR 16 HB2 TYR 16 19.579 6.256 3.157 43 HB3 TYR 16 HB1 TYR 16 19.312 5.143 4.490 44 HD1 TYR 16 HD2 TYR 16 21.680 5.358 1.565 45 HD2 TYR 16 HD1 TYR 16 21.176 4.770 5.753 46 HE1 TYR 16 HE2 TYR 16 24.117 5.072 1.826 47 HE2 TYR 16 HE1 TYR 16 23.601 4.500 6.011 48 HH TYR 16 HH TYR 16 25.790 5.300 3.592 49 H PHE 17 HN PHE 17 18.955 2.413 0.998 50 HA PHE 17 HA PHE 17 19.029 0.331 3.043 51 HB2 PHE 17 HB2 PHE 17 17.060 0.550 1.571 52 HB3 PHE 17 HB1 PHE 17 18.083 0.250 0.179 53 HD1 PHE 17 HD1 PHE 17 17.238 -1.321 3.449 54 HD2 PHE 17 HD2 PHE 17 18.071 -1.865 -0.685 55 HE1 PHE 17 HE1 PHE 17 16.786 -3.722 3.674 56 HE2 PHE 17 HE2 PHE 17 17.619 -4.268 -0.460 57 HZ PHE 17 HZ PHE 17 16.979 -5.196 1.724 58 H GLN 18 HN GLN 18 20.857 1.524 0.331 59 HA GLN 18 HA GLN 18 22.244 -0.866 -0.187 60 HB2 GLN 18 HB2 GLN 18 22.982 1.982 -0.772 61 HB3 GLN 18 HB1 GLN 18 24.028 0.635 -1.189 62 HG2 GLN 18 HG2 GLN 18 22.158 -0.321 -2.525 63 HG3 GLN 18 HG1 GLN 18 21.242 1.144 -2.202 64 HE21 GLN 18 HE21 GLN 18 22.187 0.028 -4.703 65 HE22 GLN 18 HE22 GLN 18 23.166 1.237 -5.451 66 H GLY 19 HN GLY 19 23.954 -1.784 0.589 67 HA2 GLY 19 HA2 GLY 19 25.972 -1.898 1.817 68 HA3 GLY 19 HA1 GLY 19 25.467 -0.466 2.720 69 H HIS 20 HN HIS 20 23.934 -0.631 4.312 70 HA HIS 20 HA HIS 20 22.886 -3.169 5.116 71 HB2 HIS 20 HB2 HIS 20 24.972 -1.729 6.769 72 HB3 HIS 20 HB1 HIS 20 23.778 -2.786 7.501 73 HD1 HIS 20 HD1 HIS 20 27.154 -2.889 6.164 74 HD2 HIS 20 HD2 HIS 20 23.920 -5.495 6.358 75 HE1 HIS 20 HE1 HIS 20 28.078 -5.188 5.799 76 H MET 21 HN MET 21 21.729 -2.710 7.338 77 HA MET 21 HA MET 21 19.883 -0.546 6.858 78 HB2 MET 21 HB2 MET 21 19.459 -2.911 7.926 79 HB3 MET 21 HB1 MET 21 20.128 -2.167 9.367 80 HG2 MET 21 HG2 MET 21 17.721 -2.187 9.468 81 HG3 MET 21 HG1 MET 21 18.324 -0.536 9.395 82 HE1 MET 21 HE1 MET 21 15.604 -0.121 8.892 83 HE2 MET 21 HE2 MET 21 15.303 -1.846 8.700 84 HE3 MET 21 HE3 MET 21 14.813 -0.723 7.433 85 H ALA 22 HN ALA 22 21.508 1.152 6.997 86 HA ALA 22 HA ALA 22 22.689 1.573 9.628 87 HB1 ALA 22 HB1 ALA 22 24.117 3.235 8.479 88 HB2 ALA 22 HB2 ALA 22 23.279 2.842 6.967 89 HB3 ALA 22 HB3 ALA 22 24.238 1.619 7.784 90 H TRP 23 HN TRP 23 20.951 2.293 10.725 91 HA TRP 23 HA TRP 23 19.771 4.793 9.843 92 HB2 TRP 23 HB2 TRP 23 18.919 2.852 12.018 93 HB3 TRP 23 HB1 TRP 23 18.264 4.472 11.785 94 HD1 TRP 23 HD1 TRP 23 18.930 1.772 9.249 95 HE1 TRP 23 HE1 TRP 23 16.723 1.428 7.850 96 HE3 TRP 23 HE3 TRP 23 16.019 5.005 11.730 97 HZ2 TRP 23 HZ2 TRP 23 14.003 2.539 7.947 98 HZ3 TRP 23 HZ3 TRP 23 13.693 5.320 11.058 99 HH2 TRP 23 HH2 TRP 23 12.740 4.091 9.194 100 H LYS 24 HN LYS 24 19.134 6.115 12.028 101 HA LYS 24 HA LYS 24 21.719 7.035 13.052 102 HB2 LYS 24 HB2 LYS 24 18.984 8.264 13.310 103 HB3 LYS 24 HB1 LYS 24 20.521 8.978 13.751 104 HG2 LYS 24 HG2 LYS 24 19.960 8.189 10.915 105 HG3 LYS 24 HG1 LYS 24 19.530 9.777 11.554 106 HD2 LYS 24 HD2 LYS 24 21.774 10.279 12.061 107 HD3 LYS 24 HD1 LYS 24 22.310 8.636 11.774 108 HE2 LYS 24 HE2 LYS 24 21.783 8.887 9.396 109 HE3 LYS 24 HE1 LYS 24 21.160 10.505 9.680 110 HZ1 LYS 24 HZ1 LYS 24 23.977 9.638 10.092 111 HZ2 LYS 24 HZ2 LYS 24 23.377 11.202 10.350 112 HZ3 LYS 24 HZ3 LYS 24 23.414 10.569 8.807 113 H ASP 25 HN ASP 25 21.023 8.138 15.350 114 HA ASP 25 HA ASP 25 21.104 5.757 16.945 115 HB2 ASP 25 HB2 ASP 25 22.478 7.977 17.194 116 HB3 ASP 25 HB1 ASP 25 21.095 8.436 18.177 117 H CYS 26 HN CYS 26 18.961 8.356 16.348 118 HA CYS 26 HA CYS 26 17.001 7.230 18.242 119 HB2 CYS 26 HB2 CYS 26 17.399 10.061 17.395 120 HB3 CYS 26 HB1 CYS 26 16.122 9.528 18.485 121 H ILE 27 HN ILE 27 14.912 7.098 17.542 122 HA ILE 27 HA ILE 27 14.518 7.634 14.701 123 HB ILE 27 HB ILE 27 14.834 5.209 15.298 124 HG12 ILE 27 HG12 ILE 27 12.074 5.661 14.188 125 HG13 ILE 27 HG11 ILE 27 13.505 6.144 13.283 126 HG21 ILE 27 HG21 ILE 27 12.983 3.985 16.243 127 HG22 ILE 27 HG22 ILE 27 12.173 5.516 16.601 128 HG23 ILE 27 HG23 ILE 27 13.712 5.121 17.386 129 HD11 ILE 27 HD11 ILE 27 12.582 3.912 12.700 130 HD12 ILE 27 HD12 ILE 27 13.163 3.342 14.310 131 HD13 ILE 27 HD13 ILE 27 14.269 3.995 13.119 132 H ILE 28 HN ILE 28 12.709 8.627 14.106 133 HA ILE 28 HA ILE 28 10.893 9.338 16.245 134 HB ILE 28 HB ILE 28 12.024 11.042 14.044 135 HG12 ILE 28 HG12 ILE 28 12.258 12.707 15.802 136 HG13 ILE 28 HG11 ILE 28 11.455 11.656 16.952 137 HG21 ILE 28 HG21 ILE 28 9.632 11.275 13.736 138 HG22 ILE 28 HG22 ILE 28 10.302 12.753 14.433 139 HG23 ILE 28 HG23 ILE 28 9.426 11.609 15.456 140 HD11 ILE 28 HD11 ILE 28 13.346 10.112 16.789 141 HD12 ILE 28 HD12 ILE 28 13.815 11.712 17.342 142 HD13 ILE 28 HD13 ILE 28 14.143 11.222 15.668 143 H GLN 29 HN GLN 29 9.164 8.453 16.092 144 HA GLN 29 HA GLN 29 8.064 7.350 13.636 145 HB2 GLN 29 HB2 GLN 29 7.248 7.230 16.551 146 HB3 GLN 29 HB1 GLN 29 6.513 6.307 15.242 147 HG2 GLN 29 HG2 GLN 29 9.443 6.091 15.780 148 HG3 GLN 29 HG1 GLN 29 8.294 5.154 16.752 149 HE21 GLN 29 HE21 GLN 29 10.408 4.447 14.829 150 HE22 GLN 29 HE22 GLN 29 9.621 3.453 13.647 151 H ARG 30 HN ARG 30 6.857 8.836 12.480 152 HA ARG 30 HA ARG 30 5.558 10.993 13.901 153 HB2 ARG 30 HB2 ARG 30 6.820 11.356 11.817 154 HB3 ARG 30 HB1 ARG 30 5.646 10.350 10.963 155 HG2 ARG 30 HG2 ARG 30 3.882 12.041 11.822 156 HG3 ARG 30 HG1 ARG 30 5.350 12.973 12.238 157 HD2 ARG 30 HD2 ARG 30 5.988 13.280 10.056 158 HD3 ARG 30 HD1 ARG 30 4.910 12.014 9.444 159 HE ARG 30 HE ARG 30 3.245 13.932 10.463 160 HH11 ARG 30 HH11 ARG 30 5.945 14.006 8.109 161 HH12 ARG 30 HH12 ARG 30 5.219 15.296 7.250 162 HH21 ARG 30 HH21 ARG 30 2.318 15.688 9.099 163 HH22 ARG 30 HH22 ARG 30 3.277 16.150 7.752 164 H TYR 31 HN TYR 31 3.603 10.433 14.719 165 HA TYR 31 HA TYR 31 1.995 8.437 13.371 166 HB2 TYR 31 HB2 TYR 31 1.817 9.720 16.033 167 HB3 TYR 31 HB1 TYR 31 0.509 8.697 15.412 168 HD1 TYR 31 HD2 TYR 31 3.979 8.908 16.558 169 HD2 TYR 31 HD1 TYR 31 0.795 6.303 15.535 170 HE1 TYR 31 HE2 TYR 31 5.189 7.079 17.557 171 HE2 TYR 31 HE1 TYR 31 1.976 4.434 16.531 172 HH TYR 31 HH TYR 31 4.778 4.880 18.513 173 H LYS 32 HN LYS 32 0.259 8.928 12.270 174 HA LYS 32 HA LYS 32 -0.790 11.623 12.285 175 HB2 LYS 32 HB2 LYS 32 1.040 10.709 10.458 176 HB3 LYS 32 HB1 LYS 32 -0.507 10.237 9.765 177 HG2 LYS 32 HG2 LYS 32 0.292 13.046 10.492 178 HG3 LYS 32 HG1 LYS 32 0.335 12.259 8.899 179 HD2 LYS 32 HD2 LYS 32 -2.078 11.993 8.926 180 HD3 LYS 32 HD1 LYS 32 -2.156 12.711 10.537 181 HE2 LYS 32 HE2 LYS 32 -1.291 14.813 9.664 182 HE3 LYS 32 HE1 LYS 32 -1.126 14.085 8.068 183 HZ1 LYS 32 HZ1 LYS 32 -3.517 13.808 7.983 184 HZ2 LYS 32 HZ2 LYS 32 -3.091 15.414 8.196 185 HZ3 LYS 32 HZ3 LYS 32 -3.696 14.536 9.494 186 H ASP 33 HN ASP 33 -2.947 11.358 12.366 187 HA ASP 33 HA ASP 33 -4.990 10.452 12.430 188 HB2 ASP 33 HB2 ASP 33 -3.878 9.108 10.075 189 HB3 ASP 33 HB1 ASP 33 -5.490 8.643 10.618 190 H GLY 34 HN GLY 34 -3.034 9.319 14.156 191 HA2 GLY 34 HA2 GLY 34 -3.278 7.844 15.891 192 HA3 GLY 34 HA1 GLY 34 -4.649 7.144 15.030 193 H ASP 35 HN ASP 35 -1.894 7.246 13.017 194 HA ASP 35 HA ASP 35 -0.827 4.756 14.010 195 HB2 ASP 35 HB2 ASP 35 -0.752 3.860 11.839 196 HB3 ASP 35 HB1 ASP 35 -2.438 3.984 12.326 197 H VAL 36 HN VAL 36 1.136 4.298 13.008 198 HA VAL 36 HA VAL 36 2.589 6.767 12.773 199 HB VAL 36 HB VAL 36 3.688 5.072 14.076 200 HG11 VAL 36 HG11 VAL 36 2.825 3.063 13.066 201 HG12 VAL 36 HG12 VAL 36 4.587 3.003 13.118 202 HG13 VAL 36 HG13 VAL 36 3.757 3.361 11.601 203 HG21 VAL 36 HG21 VAL 36 5.142 5.587 11.501 204 HG22 VAL 36 HG22 VAL 36 5.897 5.072 13.013 205 HG23 VAL 36 HG23 VAL 36 5.102 6.647 12.911 206 H ASN 37 HN ASN 37 2.724 7.823 11.011 207 HA ASN 37 HA ASN 37 2.026 6.543 8.497 208 HB2 ASN 37 HB2 ASN 37 0.969 8.657 9.244 209 HB3 ASN 37 HB1 ASN 37 2.553 9.385 9.006 210 HD21 ASN 37 HD21 ASN 37 -0.079 7.785 7.381 211 HD22 ASN 37 HD22 ASN 37 0.268 8.411 5.813 212 H ASN 38 HN ASN 38 4.567 8.610 9.848 213 HA ASN 38 HA ASN 38 6.271 7.789 7.661 214 HB2 ASN 38 HB2 ASN 38 6.230 10.414 9.109 215 HB3 ASN 38 HB1 ASN 38 7.425 9.922 7.920 216 HD21 ASN 38 HD21 ASN 38 5.524 8.695 6.075 217 HD22 ASN 38 HD22 ASN 38 4.603 9.969 5.406 218 H ILE 39 HN ILE 39 8.435 7.638 8.190 219 HA ILE 39 HA ILE 39 9.061 7.594 11.009 220 HB ILE 39 HB ILE 39 9.480 5.342 9.056 221 HG12 ILE 39 HG12 ILE 39 8.388 5.559 11.859 222 HG13 ILE 39 HG11 ILE 39 7.481 5.283 10.388 223 HG21 ILE 39 HG21 ILE 39 11.073 5.657 11.610 224 HG22 ILE 39 HG22 ILE 39 11.691 5.733 9.958 225 HG23 ILE 39 HG23 ILE 39 11.023 4.235 10.566 226 HD11 ILE 39 HD11 ILE 39 8.511 3.063 10.192 227 HD12 ILE 39 HD12 ILE 39 7.676 3.294 11.743 228 HD13 ILE 39 HD13 ILE 39 9.426 3.397 11.672 229 H TYR 40 HN TYR 40 10.635 8.741 11.489 230 HA TYR 40 HA TYR 40 12.611 9.552 9.461 231 HB2 TYR 40 HB2 TYR 40 11.670 11.160 11.883 232 HB3 TYR 40 HB1 TYR 40 12.786 11.670 10.618 233 HD1 TYR 40 HD2 TYR 40 9.202 11.009 11.391 234 HD2 TYR 40 HD1 TYR 40 11.985 12.535 8.536 235 HE1 TYR 40 HE2 TYR 40 7.394 11.961 10.115 236 HE2 TYR 40 HE1 TYR 40 10.131 13.508 7.261 237 HH TYR 40 HH TYR 40 7.735 13.245 6.960 238 H THR 41 HN THR 41 14.728 10.095 10.607 239 HA THR 41 HA THR 41 14.971 9.069 13.228 240 HB THR 41 HB THR 41 15.253 7.015 12.261 241 HG1 THR 41 HG1 THR 41 16.893 7.401 13.717 242 HG21 THR 41 HG21 THR 41 16.749 6.493 10.380 243 HG22 THR 41 HG22 THR 41 17.034 8.224 10.122 244 HG23 THR 41 HG23 THR 41 15.404 7.525 9.950 245 H ALA 42 HN ALA 42 16.785 9.747 14.206 246 HA ALA 42 HA ALA 42 18.348 11.841 12.901 247 HB1 ALA 42 HB1 ALA 42 17.814 13.427 14.692 248 HB2 ALA 42 HB2 ALA 42 16.692 12.264 15.393 249 HB3 ALA 42 HB3 ALA 42 16.348 12.974 13.819 250 H ASN 43 HN ASN 43 20.216 12.287 14.091 251 HA ASN 43 HA ASN 43 20.984 10.111 15.783 252 HB2 ASN 43 HB2 ASN 43 22.447 12.398 14.622 253 HB3 ASN 43 HB1 ASN 43 23.093 11.744 16.128 254 HD21 ASN 43 HD21 ASN 43 24.214 11.638 13.403 255 HD22 ASN 43 HD22 ASN 43 24.438 9.965 13.064 256 H ARG 44 HN ARG 44 21.782 10.420 17.997 257 HA ARG 44 HA ARG 44 20.163 11.895 19.663 258 HB2 ARG 44 HB2 ARG 44 22.278 11.523 21.273 259 HB3 ARG 44 HB1 ARG 44 21.175 10.239 20.771 260 HG2 ARG 44 HG2 ARG 44 22.650 9.389 19.212 261 HG3 ARG 44 HG1 ARG 44 23.740 10.756 19.295 262 HD2 ARG 44 HD2 ARG 44 24.408 10.127 21.511 263 HD3 ARG 44 HD1 ARG 44 23.080 8.994 21.625 264 HE ARG 44 HE ARG 44 24.162 7.698 19.804 265 HH11 ARG 44 HH11 ARG 44 26.332 9.751 21.713 266 HH12 ARG 44 HH12 ARG 44 27.584 8.607 21.736 267 HH21 ARG 44 HH21 ARG 44 25.878 6.166 19.816 268 HH22 ARG 44 HH22 ARG 44 27.333 6.522 20.586 269 H ASN 45 HN ASN 45 19.968 13.928 20.011 270 HA ASN 45 HA ASN 45 20.160 16.111 20.038 271 HB2 ASN 45 HB2 ASN 45 23.096 15.823 20.154 272 HB3 ASN 45 HB1 ASN 45 22.221 17.356 20.259 273 HD21 ASN 45 HD21 ASN 45 23.477 14.751 21.971 274 HD22 ASN 45 HD22 ASN 45 22.907 15.159 23.545 275 H GLU 46 HN GLU 46 19.262 15.781 17.931 276 HA GLU 46 HA GLU 46 20.844 17.165 16.010 277 HB2 GLU 46 HB2 GLU 46 21.335 14.840 15.587 278 HB3 GLU 46 HB1 GLU 46 19.631 14.439 15.548 279 HG2 GLU 46 HG2 GLU 46 19.326 15.734 13.560 280 HG3 GLU 46 HG1 GLU 46 20.987 16.328 13.745 281 H GLU 47 HN GLU 47 19.591 18.469 14.804 282 HA GLU 47 HA GLU 47 16.752 18.348 15.281 283 HB2 GLU 47 HB2 GLU 47 17.885 20.390 16.032 284 HB3 GLU 47 HB1 GLU 47 18.511 20.638 14.412 285 HG2 GLU 47 HG2 GLU 47 16.323 21.149 13.607 286 HG3 GLU 47 HG1 GLU 47 15.602 20.693 15.159 287 H ILE 48 HN ILE 48 15.526 17.681 13.723 288 HA ILE 48 HA ILE 48 16.529 17.542 11.014 289 HB ILE 48 HB ILE 48 14.710 15.941 10.624 290 HG12 ILE 48 HG12 ILE 48 14.027 16.402 13.543 291 HG13 ILE 48 HG11 ILE 48 13.071 16.795 12.123 292 HG21 ILE 48 HG21 ILE 48 16.391 15.204 13.009 293 HG22 ILE 48 HG22 ILE 48 16.841 15.030 11.309 294 HG23 ILE 48 HG23 ILE 48 15.528 14.067 11.975 295 HD11 ILE 48 HD11 ILE 48 12.206 14.817 13.233 296 HD12 ILE 48 HD12 ILE 48 13.752 13.996 12.972 297 HD13 ILE 48 HD13 ILE 48 12.759 14.477 11.593 298 H THR 49 HN THR 49 14.276 17.613 9.514 299 HA THR 49 HA THR 49 12.613 19.735 10.499 300 HB THR 49 HB THR 49 13.525 19.764 7.713 301 HG1 THR 49 HG1 THR 49 14.859 20.723 10.067 302 HG21 THR 49 HG21 THR 49 13.064 22.196 7.940 303 HG22 THR 49 HG22 THR 49 12.683 21.920 9.638 304 HG23 THR 49 HG23 THR 49 11.671 21.197 8.386 305 H ILE 50 HN ILE 50 10.547 19.471 9.844 306 HA ILE 50 HA ILE 50 9.910 17.312 7.963 307 HB ILE 50 HB ILE 50 8.550 17.837 10.620 308 HG12 ILE 50 HG12 ILE 50 9.965 15.366 9.636 309 HG13 ILE 50 HG11 ILE 50 10.702 16.599 10.659 310 HG21 ILE 50 HG21 ILE 50 7.841 15.841 8.471 311 HG22 ILE 50 HG22 ILE 50 6.911 17.272 8.911 312 HG23 ILE 50 HG23 ILE 50 7.089 15.949 10.063 313 HD11 ILE 50 HD11 ILE 50 9.028 16.140 12.370 314 HD12 ILE 50 HD12 ILE 50 9.929 14.672 11.976 315 HD13 ILE 50 HD13 ILE 50 8.292 14.914 11.347 316 H GLU 51 HN GLU 51 8.843 18.473 6.342 317 HA GLU 51 HA GLU 51 7.653 20.025 5.246 318 HB2 GLU 51 HB2 GLU 51 5.831 19.454 7.549 319 HB3 GLU 51 HB1 GLU 51 5.414 20.711 6.401 320 HG2 GLU 51 HG2 GLU 51 4.292 18.893 5.588 321 HG3 GLU 51 HG1 GLU 51 5.754 18.915 4.621 322 H GLU 52 HN GLU 52 9.677 21.002 6.576 323 HA GLU 52 HA GLU 52 10.736 22.873 7.037 324 HB2 GLU 52 HB2 GLU 52 8.185 24.283 6.292 325 HB3 GLU 52 HB1 GLU 52 9.761 25.046 6.428 326 HG2 GLU 52 HG2 GLU 52 8.873 23.036 4.403 327 HG3 GLU 52 HG1 GLU 52 9.344 24.732 4.213 328 H TYR 53 HN TYR 53 8.879 21.515 9.084 329 HA TYR 53 HA TYR 53 9.045 23.606 11.134 330 HB2 TYR 53 HB2 TYR 53 7.969 20.783 11.403 331 HB3 TYR 53 HB1 TYR 53 7.715 22.136 12.484 332 HD1 TYR 53 HD2 TYR 53 6.689 24.254 10.965 333 HD2 TYR 53 HD1 TYR 53 6.050 20.100 10.384 334 HE1 TYR 53 HE2 TYR 53 4.577 24.748 9.792 335 HE2 TYR 53 HE1 TYR 53 3.950 20.568 9.209 336 HH TYR 53 HH TYR 53 3.148 23.636 8.133 337 H LYS 54 HN LYS 54 10.998 23.574 12.204 338 HA LYS 54 HA LYS 54 12.626 21.258 11.849 339 HB2 LYS 54 HB2 LYS 54 14.396 22.389 12.857 340 HB3 LYS 54 HB1 LYS 54 13.578 23.577 11.849 341 HG2 LYS 54 HG2 LYS 54 13.185 23.314 14.793 342 HG3 LYS 54 HG1 LYS 54 14.431 24.342 14.078 343 HD2 LYS 54 HD2 LYS 54 12.671 25.631 12.919 344 HD3 LYS 54 HD1 LYS 54 11.444 24.573 13.608 345 HE2 LYS 54 HE2 LYS 54 12.060 25.339 15.855 346 HE3 LYS 54 HE1 LYS 54 13.271 26.409 15.151 347 HZ1 LYS 54 HZ1 LYS 54 11.482 27.586 13.982 348 HZ2 LYS 54 HZ2 LYS 54 11.259 27.622 15.642 349 HZ3 LYS 54 HZ3 LYS 54 10.330 26.585 14.706 350 H VAL 55 HN VAL 55 13.422 20.009 13.437 351 HA VAL 55 HA VAL 55 11.829 19.825 15.907 352 HB VAL 55 HB VAL 55 12.232 17.577 13.911 353 HG11 VAL 55 HG11 VAL 55 10.819 17.536 16.563 354 HG12 VAL 55 HG12 VAL 55 12.363 16.764 16.186 355 HG13 VAL 55 HG13 VAL 55 10.887 16.219 15.389 356 HG21 VAL 55 HG21 VAL 55 9.710 18.968 14.779 357 HG22 VAL 55 HG22 VAL 55 9.789 17.551 13.732 358 HG23 VAL 55 HG23 VAL 55 10.480 19.087 13.197 359 H PHE 56 HN PHE 56 13.306 19.714 17.533 360 HA PHE 56 HA PHE 56 15.956 18.601 16.985 361 HB2 PHE 56 HB2 PHE 56 15.957 20.814 17.984 362 HB3 PHE 56 HB1 PHE 56 14.899 20.248 19.290 363 HD1 PHE 56 HD2 PHE 56 18.269 19.812 17.800 364 HD2 PHE 56 HD1 PHE 56 15.784 19.265 21.198 365 HE1 PHE 56 HE2 PHE 56 20.213 19.141 19.087 366 HE2 PHE 56 HE1 PHE 56 17.712 18.579 22.513 367 HZ PHE 56 HZ PHE 56 19.965 18.509 21.470 368 H VAL 57 HN VAL 57 16.504 16.731 17.588 369 HA VAL 57 HA VAL 57 14.880 15.270 19.528 370 HB VAL 57 HB VAL 57 16.969 14.279 17.570 371 HG11 VAL 57 HG11 VAL 57 16.813 12.865 19.558 372 HG12 VAL 57 HG12 VAL 57 16.159 12.025 18.162 373 HG13 VAL 57 HG13 VAL 57 15.071 12.740 19.358 374 HG21 VAL 57 HG21 VAL 57 13.979 14.110 17.506 375 HG22 VAL 57 HG22 VAL 57 15.075 13.349 16.349 376 HG23 VAL 57 HG23 VAL 57 14.987 15.116 16.463 377 H ASN 58 HN ASN 58 15.701 15.137 21.477 378 HA ASN 58 HA ASN 58 18.351 16.033 22.019 379 HB2 ASN 58 HB2 ASN 58 16.401 16.559 23.431 380 HB3 ASN 58 HB1 ASN 58 16.277 14.853 23.902 381 HD21 ASN 58 HD21 ASN 58 16.508 15.457 26.063 382 HD22 ASN 58 HD22 ASN 58 18.052 15.919 26.690 383 H GLU 59 HN GLU 59 19.468 14.533 23.811 384 HA GLU 59 HA GLU 59 20.652 12.450 22.216 385 HB2 GLU 59 HB2 GLU 59 22.258 12.147 23.864 386 HB3 GLU 59 HB1 GLU 59 21.854 13.848 23.921 387 HG2 GLU 59 HG2 GLU 59 20.809 11.764 25.771 388 HG3 GLU 59 HG1 GLU 59 22.195 12.788 26.153 389 H ALA 60 HN ALA 60 18.112 12.335 24.478 390 HA ALA 60 HA ALA 60 18.477 9.498 24.847 391 HB1 ALA 60 HB1 ALA 60 16.416 11.313 26.076 392 HB2 ALA 60 HB2 ALA 60 17.912 10.724 26.842 393 HB3 ALA 60 HB3 ALA 60 16.627 9.596 26.424 394 H CYS 61 HN CYS 61 17.439 11.117 22.435 395 HA CYS 61 HA CYS 61 16.110 10.704 20.648 396 HB2 CYS 61 HB2 CYS 61 15.539 8.089 22.017 397 HB3 CYS 61 HB1 CYS 61 15.295 8.474 20.309 398 H HIS 62 HN HIS 62 14.859 12.495 21.435 399 HA HIS 62 HA HIS 62 12.140 11.752 21.320 400 HB2 HIS 62 HB2 HIS 62 12.798 11.781 23.888 401 HB3 HIS 62 HB1 HIS 62 12.708 13.531 23.683 402 HD1 HIS 62 HD1 HIS 62 10.312 14.526 23.711 403 HD2 HIS 62 HD2 HIS 62 10.399 10.414 23.120 404 HE1 HIS 62 HE1 HIS 62 7.909 13.768 23.630 405 HA PRO 63 HA PRO 63 12.726 15.583 19.142 406 HB2 PRO 63 HB2 PRO 63 10.603 15.477 17.639 407 HB3 PRO 63 HB1 PRO 63 11.810 14.175 17.512 408 HG2 PRO 63 HG2 PRO 63 9.198 14.156 18.929 409 HG3 PRO 63 HG1 PRO 63 9.941 12.902 17.905 410 HD2 PRO 63 HD2 PRO 63 10.053 12.896 20.655 411 HD3 PRO 63 HD1 PRO 63 11.169 12.085 19.548 412 H TYR 64 HN TYR 64 12.151 17.603 19.293 413 HA TYR 64 HA TYR 64 9.489 18.312 20.215 414 HB2 TYR 64 HB2 TYR 64 12.044 19.658 21.011 415 HB3 TYR 64 HB1 TYR 64 10.490 20.505 21.029 416 HD1 TYR 64 HD2 TYR 64 8.623 19.509 22.382 417 HD2 TYR 64 HD1 TYR 64 12.647 18.365 22.666 418 HE1 TYR 64 HE2 TYR 64 8.152 18.562 24.642 419 HE2 TYR 64 HE1 TYR 64 12.254 17.388 24.943 420 HH TYR 64 HH TYR 64 9.149 16.830 26.122 421 HA PRO 65 HA PRO 65 8.193 19.814 20.312 422 HB2 PRO 65 HB2 PRO 65 5.999 20.406 18.849 423 HB3 PRO 65 HB1 PRO 65 7.072 21.656 19.514 424 HG2 PRO 65 HG2 PRO 65 6.896 20.581 16.799 425 HG3 PRO 65 HG1 PRO 65 7.233 22.260 17.373 426 HD2 PRO 65 HD2 PRO 65 9.120 20.481 16.407 427 HD3 PRO 65 HD1 PRO 65 9.458 21.861 17.469 428 H VAL 66 HN VAL 66 6.247 18.470 20.558 429 HA VAL 66 HA VAL 66 6.728 15.931 19.251 430 HB VAL 66 HB VAL 66 4.956 16.619 21.616 431 HG11 VAL 66 HG11 VAL 66 5.811 13.923 20.566 432 HG12 VAL 66 HG12 VAL 66 4.185 14.589 20.466 433 HG13 VAL 66 HG13 VAL 66 4.887 14.210 22.040 434 HG21 VAL 66 HG21 VAL 66 7.323 16.997 22.031 435 HG22 VAL 66 HG22 VAL 66 7.700 15.387 21.465 436 HG23 VAL 66 HG23 VAL 66 6.765 15.597 22.950 437 H ILE 67 HN ILE 67 3.944 18.098 19.878 438 HA ILE 67 HA ILE 67 2.745 16.872 17.596 439 HB ILE 67 HB ILE 67 1.560 18.538 19.751 440 HG12 ILE 67 HG12 ILE 67 -0.354 17.101 19.339 441 HG13 ILE 67 HG11 ILE 67 0.464 16.364 17.983 442 HG21 ILE 67 HG21 ILE 67 -0.397 19.222 18.425 443 HG22 ILE 67 HG22 ILE 67 0.400 18.660 16.962 444 HG23 ILE 67 HG23 ILE 67 1.071 20.021 17.859 445 HD11 ILE 67 HD11 ILE 67 0.524 14.944 19.890 446 HD12 ILE 67 HD12 ILE 67 1.276 16.225 20.858 447 HD13 ILE 67 HD13 ILE 67 2.155 15.501 19.489 448 H LEU 68 HN LEU 68 2.930 17.531 15.770 449 HA LEU 68 HA LEU 68 4.266 20.069 15.222 450 HB2 LEU 68 HB2 LEU 68 3.348 17.891 13.341 451 HB3 LEU 68 HB1 LEU 68 4.160 19.352 12.823 452 HG LEU 68 HG LEU 68 5.305 17.087 14.439 453 HD11 LEU 68 HD11 LEU 68 6.824 16.956 12.531 454 HD12 LEU 68 HD12 LEU 68 5.965 18.317 11.795 455 HD13 LEU 68 HD13 LEU 68 5.128 16.783 12.031 456 HD21 LEU 68 HD21 LEU 68 6.563 19.752 13.759 457 HD22 LEU 68 HD22 LEU 68 7.408 18.360 14.436 458 HD23 LEU 68 HD23 LEU 68 6.163 19.168 15.379 459 HA PRO 69 HA PRO 69 0.643 22.420 14.278 460 HB2 PRO 69 HB2 PRO 69 1.677 23.270 11.708 461 HB3 PRO 69 HB1 PRO 69 1.405 24.247 13.169 462 HG2 PRO 69 HG2 PRO 69 3.886 23.793 12.401 463 HG3 PRO 69 HG1 PRO 69 3.438 23.670 14.125 464 HD2 PRO 69 HD2 PRO 69 3.685 21.472 12.119 465 HD3 PRO 69 HD1 PRO 69 4.479 21.521 13.693 466 H ASP 70 HN ASP 70 1.691 20.128 12.165 467 HA ASP 70 HA ASP 70 -0.507 20.068 10.332 468 HB2 ASP 70 HB2 ASP 70 1.674 19.461 9.532 469 HB3 ASP 70 HB1 ASP 70 1.903 18.319 10.844 470 H ARG 71 HN ARG 71 0.054 19.125 13.471 471 HA ARG 71 HA ARG 71 -0.587 17.706 14.935 472 HB2 ARG 71 HB2 ARG 71 -2.771 18.655 14.792 473 HB3 ARG 71 HB1 ARG 71 -3.131 17.692 13.369 474 HG2 ARG 71 HG2 ARG 71 -3.630 15.849 14.541 475 HG3 ARG 71 HG1 ARG 71 -2.480 16.261 15.814 476 HD2 ARG 71 HD2 ARG 71 -4.970 17.871 15.403 477 HD3 ARG 71 HD1 ARG 71 -5.025 16.374 16.336 478 HE ARG 71 HE ARG 71 -3.198 17.439 17.693 479 HH11 ARG 71 HH11 ARG 71 -5.652 19.464 16.111 480 HH12 ARG 71 HH12 ARG 71 -5.666 20.633 17.349 481 HH21 ARG 71 HH21 ARG 71 -3.304 19.020 19.408 482 HH22 ARG 71 HH22 ARG 71 -4.319 20.377 19.247 483 H SER 72 HN SER 72 1.146 16.807 13.988 484 HA SER 72 HA SER 72 0.595 14.004 13.639 485 HB2 SER 72 HB2 SER 72 3.049 15.598 12.828 486 HB3 SER 72 HB1 SER 72 2.963 13.830 12.827 487 HG SER 72 HG SER 72 1.262 15.522 11.233 488 H VAL 73 HN VAL 73 1.443 12.691 15.085 489 HA VAL 73 HA VAL 73 2.411 13.751 17.606 490 HB VAL 73 HB VAL 73 1.096 11.286 16.568 491 HG11 VAL 73 HG11 VAL 73 3.042 10.379 17.758 492 HG12 VAL 73 HG12 VAL 73 1.543 9.992 18.569 493 HG13 VAL 73 HG13 VAL 73 2.598 11.279 19.215 494 HG21 VAL 73 HG21 VAL 73 0.683 12.939 19.011 495 HG22 VAL 73 HG22 VAL 73 -0.256 11.514 18.557 496 HG23 VAL 73 HG23 VAL 73 -0.282 12.946 17.523 497 H LEU 74 HN LEU 74 4.605 13.895 17.758 498 HA LEU 74 HA LEU 74 6.144 11.938 16.266 499 HB2 LEU 74 HB2 LEU 74 6.744 14.666 17.201 500 HB3 LEU 74 HB1 LEU 74 8.036 13.475 17.270 501 HG LEU 74 HG LEU 74 7.973 13.116 14.956 502 HD11 LEU 74 HD11 LEU 74 6.402 14.281 13.483 503 HD12 LEU 74 HD12 LEU 74 5.516 14.841 14.937 504 HD13 LEU 74 HD13 LEU 74 5.646 13.124 14.576 505 HD21 LEU 74 HD21 LEU 74 9.182 15.060 15.748 506 HD22 LEU 74 HD22 LEU 74 7.747 16.062 15.551 507 HD23 LEU 74 HD23 LEU 74 8.529 15.339 14.135 508 H SER 75 HN SER 75 6.958 10.354 17.090 509 HA SER 75 HA SER 75 7.458 10.385 20.010 510 HB2 SER 75 HB2 SER 75 6.726 7.991 18.335 511 HB3 SER 75 HB1 SER 75 6.875 8.033 20.093 512 HG SER 75 HG SER 75 5.318 10.008 19.383 513 H GLY 76 HN GLY 76 9.519 10.314 20.528 514 HA2 GLY 76 HA2 GLY 76 11.404 9.256 18.558 515 HA3 GLY 76 HA1 GLY 76 11.820 10.369 19.860 516 H ASP 77 HN ASP 77 12.464 7.480 18.932 517 HA ASP 77 HA ASP 77 12.835 6.483 21.670 518 HB2 ASP 77 HB2 ASP 77 11.775 4.905 19.302 519 HB3 ASP 77 HB1 ASP 77 12.384 4.185 20.770 520 H PHE 78 HN PHE 78 14.564 4.751 21.483 521 HA PHE 78 HA PHE 78 16.657 5.772 19.779 522 HB2 PHE 78 HB2 PHE 78 16.413 3.448 21.586 523 HB3 PHE 78 HB1 PHE 78 17.885 3.640 20.639 524 HD1 PHE 78 HD1 PHE 78 15.829 5.064 23.429 525 HD2 PHE 78 HD2 PHE 78 19.575 5.235 21.360 526 HE1 PHE 78 HE1 PHE 78 16.777 6.443 25.209 527 HE2 PHE 78 HE2 PHE 78 20.485 6.621 23.151 528 HZ PHE 78 HZ PHE 78 19.092 7.230 25.071 529 H THR 79 HN THR 79 17.386 4.808 17.845 530 HA THR 79 HA THR 79 15.484 3.345 16.329 531 HB THR 79 HB THR 79 18.334 3.428 15.654 532 HG1 THR 79 HG1 THR 79 18.275 5.499 15.311 533 HG21 THR 79 HG21 THR 79 17.510 3.816 13.452 534 HG22 THR 79 HG22 THR 79 15.880 3.978 14.090 535 HG23 THR 79 HG23 THR 79 16.700 2.400 14.158 536 H SER 80 HN SER 80 17.944 2.491 18.435 537 HA SER 80 HA SER 80 18.952 0.067 17.485 538 HB2 SER 80 HB2 SER 80 19.727 1.609 19.382 539 HB3 SER 80 HB1 SER 80 18.509 0.846 20.363 540 HG SER 80 HG SER 80 20.016 -1.066 19.200 541 H ALA 81 HN ALA 81 16.133 0.859 19.454 542 HA ALA 81 HA ALA 81 15.398 -1.919 19.577 543 HB1 ALA 81 HB1 ALA 81 13.661 -1.194 21.199 544 HB2 ALA 81 HB2 ALA 81 14.173 0.478 20.942 545 HB3 ALA 81 HB3 ALA 81 15.283 -0.689 21.656 546 H TYR 82 HN TYR 82 15.194 -0.293 17.175 547 HA TYR 82 HA TYR 82 12.417 -0.838 16.607 548 HB2 TYR 82 HB2 TYR 82 13.773 1.692 16.343 549 HB3 TYR 82 HB1 TYR 82 12.706 1.272 15.005 550 HD1 TYR 82 HD1 TYR 82 12.909 1.909 18.632 551 HD2 TYR 82 HD2 TYR 82 10.363 1.350 15.294 552 HE1 TYR 82 HE1 TYR 82 11.011 2.707 19.946 553 HE2 TYR 82 HE2 TYR 82 8.442 2.158 16.603 554 HH TYR 82 HH TYR 82 8.843 3.814 19.473 555 H ALA 83 HN ALA 83 15.242 0.426 14.869 556 HA ALA 83 HA ALA 83 14.394 -0.977 12.520 557 HB1 ALA 83 HB1 ALA 83 15.321 1.301 12.338 558 HB2 ALA 83 HB2 ALA 83 16.225 0.121 11.394 559 HB3 ALA 83 HB3 ALA 83 16.870 0.687 12.934 560 H ASP 84 HN ASP 84 16.313 -1.588 15.243 561 HA ASP 84 HA ASP 84 17.902 -2.930 15.826 562 HB2 ASP 84 HB2 ASP 84 16.517 -4.607 13.703 563 HB3 ASP 84 HB1 ASP 84 17.774 -5.118 14.835 564 H ASP 85 HN ASP 85 18.557 -0.972 14.139 565 HA ASP 85 HA ASP 85 19.741 -1.249 11.779 566 HB2 ASP 85 HB2 ASP 85 21.325 0.591 12.413 567 HB3 ASP 85 HB1 ASP 85 19.621 0.920 12.677 568 H ASP 86 HN ASP 86 21.418 -1.948 10.841 569 HA ASP 86 HA ASP 86 22.892 -4.000 12.263 570 HB2 ASP 86 HB2 ASP 86 21.855 -4.306 9.930 571 HB3 ASP 86 HB1 ASP 86 23.160 -3.291 9.341 572 H GLU 87 HN GLU 87 23.793 -2.302 13.510 573 HA GLU 87 HA GLU 87 26.164 -1.002 12.346 574 HB2 GLU 87 HB2 GLU 87 24.304 0.243 13.666 575 HB3 GLU 87 HB1 GLU 87 24.975 -0.670 15.020 576 HG2 GLU 87 HG2 GLU 87 26.490 1.357 13.411 577 HG3 GLU 87 HG1 GLU 87 25.706 1.675 14.952 578 H SER 88 HN SER 88 25.114 -2.573 15.363 579 HA SER 88 HA SER 88 27.344 -4.450 15.168 580 HB2 SER 88 HB2 SER 88 26.514 -2.933 17.672 581 HB3 SER 88 HB1 SER 88 27.692 -4.245 17.638 582 HG SER 88 HG SER 88 27.855 -1.660 16.502 583 H CYS 89 HN CYS 89 24.283 -4.134 14.865 584 HA CYS 89 HA CYS 89 23.388 -6.357 16.534 585 HB2 CYS 89 HB2 CYS 89 22.049 -4.331 16.793 586 HB3 CYS 89 HB1 CYS 89 21.896 -4.168 15.050 587 HG CYS 89 HG CYS 89 19.734 -5.370 14.869 Start of MODEL 14 1 H GLY 11 HT1 GLY 11 0.261 -1.581 8.114 2 HA2 GLY 11 HA1 GLY 11 -0.837 -1.985 5.989 3 HA3 GLY 11 HA2 GLY 11 0.427 -0.762 5.852 4 H ARG 12 HN ARG 12 -0.069 -1.781 3.491 5 HA ARG 12 HA ARG 12 1.651 -4.055 3.089 6 HB2 ARG 12 HB2 ARG 12 0.003 -2.430 1.141 7 HB3 ARG 12 HB1 ARG 12 1.234 -3.544 0.578 8 HG2 ARG 12 HG2 ARG 12 -0.895 -4.627 0.464 9 HG3 ARG 12 HG1 ARG 12 0.046 -5.381 1.743 10 HD2 ARG 12 HD2 ARG 12 -1.190 -3.926 3.370 11 HD3 ARG 12 HD1 ARG 12 -2.227 -3.425 2.035 12 HE ARG 12 HE ARG 12 -2.013 -6.263 2.362 13 HH11 ARG 12 HH11 ARG 12 -3.906 -3.398 3.213 14 HH12 ARG 12 HH12 ARG 12 -5.205 -4.281 3.859 15 HH21 ARG 12 HH21 ARG 12 -3.791 -7.457 3.207 16 HH22 ARG 12 HH22 ARG 12 -5.164 -6.665 3.819 17 H GLU 13 HN GLU 13 3.581 -3.609 3.549 18 HA GLU 13 HA GLU 13 4.935 -1.262 2.439 19 HB2 GLU 13 HB2 GLU 13 5.942 -0.948 4.690 20 HB3 GLU 13 HB1 GLU 13 4.200 -0.689 4.667 21 HG2 GLU 13 HG2 GLU 13 3.956 -3.077 5.448 22 HG3 GLU 13 HG1 GLU 13 5.691 -3.073 5.725 23 H ASN 14 HN ASN 14 7.293 -1.454 2.725 24 HA ASN 14 HA ASN 14 8.381 -4.134 2.977 25 HB2 ASN 14 HB2 ASN 14 8.793 -2.246 0.619 26 HB3 ASN 14 HB1 ASN 14 9.897 -3.557 0.987 27 HD21 ASN 14 HD21 ASN 14 8.236 -3.014 -1.383 28 HD22 ASN 14 HD22 ASN 14 7.275 -4.420 -1.622 29 H LEU 15 HN LEU 15 10.955 -3.644 2.894 30 HA LEU 15 HA LEU 15 11.310 -1.202 4.486 31 HB2 LEU 15 HB2 LEU 15 12.983 -3.721 4.377 32 HB3 LEU 15 HB1 LEU 15 13.417 -2.286 5.279 33 HG LEU 15 HG LEU 15 10.995 -4.007 5.815 34 HD11 LEU 15 HD11 LEU 15 13.621 -3.751 7.269 35 HD12 LEU 15 HD12 LEU 15 13.024 -5.169 6.400 36 HD13 LEU 15 HD13 LEU 15 12.211 -4.625 7.861 37 HD21 LEU 15 HD21 LEU 15 12.127 -1.658 7.330 38 HD22 LEU 15 HD22 LEU 15 10.782 -2.674 7.852 39 HD23 LEU 15 HD23 LEU 15 10.619 -1.672 6.414 40 H TYR 16 HN TYR 16 13.793 -0.489 4.176 41 HA TYR 16 HA TYR 16 13.996 -0.037 1.331 42 HB2 TYR 16 HB2 TYR 16 14.407 1.805 3.008 43 HB3 TYR 16 HB1 TYR 16 15.854 0.951 3.518 44 HD1 TYR 16 HD2 TYR 16 14.249 2.536 0.574 45 HD2 TYR 16 HD1 TYR 16 17.903 1.363 2.406 46 HE1 TYR 16 HE2 TYR 16 15.498 3.730 -1.168 47 HE2 TYR 16 HE1 TYR 16 19.166 2.562 0.667 48 HH TYR 16 HH TYR 16 17.650 4.766 -1.393 49 H PHE 17 HN PHE 17 14.246 -2.186 0.859 50 HA PHE 17 HA PHE 17 15.312 -4.064 0.198 51 HB2 PHE 17 HB2 PHE 17 17.848 -2.429 0.636 52 HB3 PHE 17 HB1 PHE 17 17.733 -3.925 -0.291 53 HD1 PHE 17 HD1 PHE 17 16.431 -3.972 -2.407 54 HD2 PHE 17 HD2 PHE 17 17.213 -0.350 -0.317 55 HE1 PHE 17 HE1 PHE 17 15.826 -2.685 -4.409 56 HE2 PHE 17 HE2 PHE 17 16.611 0.940 -2.316 57 HZ PHE 17 HZ PHE 17 15.914 -0.229 -4.366 58 H GLN 18 HN GLN 18 18.114 -4.729 1.502 59 HA GLN 18 HA GLN 18 16.944 -5.963 3.838 60 HB2 GLN 18 HB2 GLN 18 19.007 -6.797 2.382 61 HB3 GLN 18 HB1 GLN 18 19.920 -5.669 3.360 62 HG2 GLN 18 HG2 GLN 18 18.445 -8.131 4.295 63 HG3 GLN 18 HG1 GLN 18 20.178 -7.881 4.241 64 HE21 GLN 18 HE21 GLN 18 17.255 -7.333 5.968 65 HE22 GLN 18 HE22 GLN 18 17.947 -6.643 7.388 66 H GLY 19 HN GLY 19 16.606 -4.775 5.569 67 HA2 GLY 19 HA2 GLY 19 17.498 -2.089 5.802 68 HA3 GLY 19 HA1 GLY 19 16.547 -2.978 6.981 69 H HIS 20 HN HIS 20 19.817 -2.911 5.676 70 HA HIS 20 HA HIS 20 21.087 -3.844 8.025 71 HB2 HIS 20 HB2 HIS 20 22.189 -2.090 5.807 72 HB3 HIS 20 HB1 HIS 20 23.170 -2.817 7.069 73 HD1 HIS 20 HD1 HIS 20 23.555 -5.423 6.893 74 HD2 HIS 20 HD2 HIS 20 21.432 -3.748 3.750 75 HE1 HIS 20 HE1 HIS 20 23.562 -7.149 5.055 76 H MET 21 HN MET 21 21.684 -2.782 9.848 77 HA MET 21 HA MET 21 20.349 -0.316 10.171 78 HB2 MET 21 HB2 MET 21 20.897 -0.411 12.557 79 HB3 MET 21 HB1 MET 21 20.068 -1.827 11.937 80 HG2 MET 21 HG2 MET 21 23.017 -1.679 12.396 81 HG3 MET 21 HG1 MET 21 21.876 -2.238 13.613 82 HE1 MET 21 HE1 MET 21 20.416 -4.446 13.366 83 HE2 MET 21 HE2 MET 21 20.454 -5.512 11.966 84 HE3 MET 21 HE3 MET 21 19.752 -3.903 11.824 85 H ALA 22 HN ALA 22 21.302 0.910 8.872 86 HA ALA 22 HA ALA 22 23.458 2.446 10.098 87 HB1 ALA 22 HB1 ALA 22 24.356 1.520 7.980 88 HB2 ALA 22 HB2 ALA 22 24.078 3.252 7.811 89 HB3 ALA 22 HB3 ALA 22 22.933 2.106 7.118 90 H TRP 23 HN TRP 23 21.574 3.001 11.185 91 HA TRP 23 HA TRP 23 20.020 5.076 9.809 92 HB2 TRP 23 HB2 TRP 23 19.239 3.183 12.074 93 HB3 TRP 23 HB1 TRP 23 18.442 4.729 11.794 94 HD1 TRP 23 HD1 TRP 23 19.444 2.076 9.331 95 HE1 TRP 23 HE1 TRP 23 17.324 1.500 7.857 96 HE3 TRP 23 HE3 TRP 23 16.108 4.978 11.711 97 HZ2 TRP 23 HZ2 TRP 23 14.533 2.308 7.853 98 HZ3 TRP 23 HZ3 TRP 23 13.788 5.028 10.959 99 HH2 TRP 23 HH2 TRP 23 13.045 3.701 9.065 100 H LYS 24 HN LYS 24 19.142 6.429 12.069 101 HA LYS 24 HA LYS 24 21.683 7.459 13.114 102 HB2 LYS 24 HB2 LYS 24 18.891 8.523 13.438 103 HB3 LYS 24 HB1 LYS 24 20.388 9.280 13.898 104 HG2 LYS 24 HG2 LYS 24 19.903 8.682 11.011 105 HG3 LYS 24 HG1 LYS 24 19.268 10.150 11.759 106 HD2 LYS 24 HD2 LYS 24 21.514 10.715 12.522 107 HD3 LYS 24 HD1 LYS 24 22.164 9.289 11.743 108 HE2 LYS 24 HE2 LYS 24 22.533 11.309 10.412 109 HE3 LYS 24 HE1 LYS 24 21.460 10.201 9.561 110 HZ1 LYS 24 HZ1 LYS 24 19.587 11.546 10.139 111 HZ2 LYS 24 HZ2 LYS 24 20.762 12.602 9.548 112 HZ3 LYS 24 HZ3 LYS 24 20.494 12.498 11.199 113 H ASP 25 HN ASP 25 21.022 8.359 15.431 114 HA ASP 25 HA ASP 25 21.026 5.968 16.983 115 HB2 ASP 25 HB2 ASP 25 21.410 8.782 17.569 116 HB3 ASP 25 HB1 ASP 25 21.102 7.756 18.973 117 H CYS 26 HN CYS 26 18.751 8.464 16.341 118 HA CYS 26 HA CYS 26 16.831 7.234 18.219 119 HB2 CYS 26 HB2 CYS 26 17.134 10.082 17.389 120 HB3 CYS 26 HB1 CYS 26 15.947 9.497 18.548 121 H ILE 27 HN ILE 27 14.872 6.916 17.486 122 HA ILE 27 HA ILE 27 14.474 7.400 14.626 123 HB ILE 27 HB ILE 27 14.814 5.008 15.261 124 HG12 ILE 27 HG12 ILE 27 11.984 5.070 14.402 125 HG13 ILE 27 HG11 ILE 27 13.113 5.927 13.365 126 HG21 ILE 27 HG21 ILE 27 13.081 3.772 16.366 127 HG22 ILE 27 HG22 ILE 27 12.265 5.299 16.746 128 HG23 ILE 27 HG23 ILE 27 13.875 4.965 17.409 129 HD11 ILE 27 HD11 ILE 27 12.775 3.574 12.686 130 HD12 ILE 27 HD12 ILE 27 13.493 3.063 14.248 131 HD13 ILE 27 HD13 ILE 27 14.423 3.988 13.091 132 H ILE 28 HN ILE 28 12.634 8.358 14.000 133 HA ILE 28 HA ILE 28 10.890 9.242 16.194 134 HB ILE 28 HB ILE 28 11.692 10.850 13.767 135 HG12 ILE 28 HG12 ILE 28 13.679 10.648 15.106 136 HG13 ILE 28 HG11 ILE 28 13.030 12.265 15.324 137 HG21 ILE 28 HG21 ILE 28 9.546 11.478 14.598 138 HG22 ILE 28 HG22 ILE 28 10.707 12.749 15.001 139 HG23 ILE 28 HG23 ILE 28 10.172 11.605 16.237 140 HD11 ILE 28 HD11 ILE 28 12.122 11.581 17.506 141 HD12 ILE 28 HD12 ILE 28 13.871 11.346 17.406 142 HD13 ILE 28 HD13 ILE 28 12.794 9.968 17.260 143 H GLN 29 HN GLN 29 9.055 8.355 15.916 144 HA GLN 29 HA GLN 29 8.078 7.594 13.286 145 HB2 GLN 29 HB2 GLN 29 7.141 7.031 16.100 146 HB3 GLN 29 HB1 GLN 29 6.361 6.434 14.637 147 HG2 GLN 29 HG2 GLN 29 8.385 5.143 14.086 148 HG3 GLN 29 HG1 GLN 29 9.173 5.826 15.495 149 HE21 GLN 29 HE21 GLN 29 8.357 3.019 14.722 150 HE22 GLN 29 HE22 GLN 29 7.508 2.443 16.099 151 H ARG 30 HN ARG 30 6.608 8.852 12.292 152 HA ARG 30 HA ARG 30 5.463 11.085 13.769 153 HB2 ARG 30 HB2 ARG 30 6.584 11.352 11.545 154 HB3 ARG 30 HB1 ARG 30 5.267 10.420 10.833 155 HG2 ARG 30 HG2 ARG 30 3.719 12.198 11.921 156 HG3 ARG 30 HG1 ARG 30 5.287 13.054 12.092 157 HD2 ARG 30 HD2 ARG 30 5.608 13.313 9.864 158 HD3 ARG 30 HD1 ARG 30 4.472 12.034 9.429 159 HE ARG 30 HE ARG 30 2.995 14.110 10.592 160 HH11 ARG 30 HH11 ARG 30 4.890 13.467 7.659 161 HH12 ARG 30 HH12 ARG 30 4.225 14.831 6.849 162 HH21 ARG 30 HH21 ARG 30 1.967 15.895 9.255 163 HH22 ARG 30 HH22 ARG 30 2.570 16.058 7.684 164 H TYR 31 HN TYR 31 3.510 10.644 14.679 165 HA TYR 31 HA TYR 31 1.821 8.562 13.565 166 HB2 TYR 31 HB2 TYR 31 2.098 9.846 16.176 167 HB3 TYR 31 HB1 TYR 31 0.522 9.109 15.788 168 HD1 TYR 31 HD2 TYR 31 4.168 8.562 16.070 169 HD2 TYR 31 HD1 TYR 31 0.306 6.823 16.193 170 HE1 TYR 31 HE2 TYR 31 5.151 6.506 16.873 171 HE2 TYR 31 HE1 TYR 31 1.234 4.744 17.001 172 HH TYR 31 HH TYR 31 4.527 4.496 18.072 173 H LYS 32 HN LYS 32 0.420 9.226 12.187 174 HA LYS 32 HA LYS 32 -0.777 11.792 12.548 175 HB2 LYS 32 HB2 LYS 32 1.203 12.056 11.178 176 HB3 LYS 32 HB1 LYS 32 0.643 10.732 10.187 177 HG2 LYS 32 HG2 LYS 32 0.566 13.186 9.513 178 HG3 LYS 32 HG1 LYS 32 -0.756 12.095 8.963 179 HD2 LYS 32 HD2 LYS 32 -2.070 13.045 10.884 180 HD3 LYS 32 HD1 LYS 32 -0.700 14.087 11.272 181 HE2 LYS 32 HE2 LYS 32 -2.416 15.288 10.021 182 HE3 LYS 32 HE1 LYS 32 -0.914 15.190 9.108 183 HZ1 LYS 32 HZ1 LYS 32 -3.221 13.354 8.696 184 HZ2 LYS 32 HZ2 LYS 32 -1.864 13.494 7.714 185 HZ3 LYS 32 HZ3 LYS 32 -2.975 14.765 7.817 186 H ASP 33 HN ASP 33 -2.852 11.584 12.314 187 HA ASP 33 HA ASP 33 -4.878 10.707 12.178 188 HB2 ASP 33 HB2 ASP 33 -3.737 9.354 9.815 189 HB3 ASP 33 HB1 ASP 33 -5.459 9.273 10.196 190 H GLY 34 HN GLY 34 -3.019 9.589 13.848 191 HA2 GLY 34 HA2 GLY 34 -3.609 8.218 15.642 192 HA3 GLY 34 HA1 GLY 34 -4.565 7.251 14.513 193 H ASP 35 HN ASP 35 -2.058 7.221 12.691 194 HA ASP 35 HA ASP 35 -0.633 5.176 14.194 195 HB2 ASP 35 HB2 ASP 35 -0.535 3.907 12.127 196 HB3 ASP 35 HB1 ASP 35 -2.189 4.026 12.723 197 H VAL 36 HN VAL 36 1.341 4.686 13.256 198 HA VAL 36 HA VAL 36 2.747 7.084 12.720 199 HB VAL 36 HB VAL 36 3.854 5.389 14.018 200 HG11 VAL 36 HG11 VAL 36 2.842 3.397 13.052 201 HG12 VAL 36 HG12 VAL 36 4.597 3.252 13.096 202 HG13 VAL 36 HG13 VAL 36 3.769 3.636 11.578 203 HG21 VAL 36 HG21 VAL 36 5.161 5.784 11.354 204 HG22 VAL 36 HG22 VAL 36 5.993 5.269 12.827 205 HG23 VAL 36 HG23 VAL 36 5.240 6.870 12.739 206 H ASN 37 HN ASN 37 2.703 8.061 10.888 207 HA ASN 37 HA ASN 37 1.967 6.749 8.410 208 HB2 ASN 37 HB2 ASN 37 1.077 8.952 9.066 209 HB3 ASN 37 HB1 ASN 37 2.723 9.571 8.841 210 HD21 ASN 37 HD21 ASN 37 -0.117 8.377 7.303 211 HD22 ASN 37 HD22 ASN 37 0.287 8.823 5.684 212 H ASN 38 HN ASN 38 4.639 8.702 9.677 213 HA ASN 38 HA ASN 38 6.320 7.742 7.522 214 HB2 ASN 38 HB2 ASN 38 6.571 10.271 9.116 215 HB3 ASN 38 HB1 ASN 38 7.649 9.736 7.837 216 HD21 ASN 38 HD21 ASN 38 6.993 9.963 5.675 217 HD22 ASN 38 HD22 ASN 38 5.647 10.947 5.249 218 H ILE 39 HN ILE 39 8.399 7.279 8.077 219 HA ILE 39 HA ILE 39 9.044 7.035 10.907 220 HB ILE 39 HB ILE 39 9.636 5.168 8.604 221 HG12 ILE 39 HG12 ILE 39 8.973 3.381 10.243 222 HG13 ILE 39 HG11 ILE 39 8.547 4.650 11.372 223 HG21 ILE 39 HG21 ILE 39 11.179 5.199 11.189 224 HG22 ILE 39 HG22 ILE 39 11.793 5.504 9.565 225 HG23 ILE 39 HG23 ILE 39 11.206 3.906 9.992 226 HD11 ILE 39 HD11 ILE 39 6.591 3.748 10.301 227 HD12 ILE 39 HD12 ILE 39 7.252 4.113 8.705 228 HD13 ILE 39 HD13 ILE 39 6.828 5.423 9.810 229 H TYR 40 HN TYR 40 10.542 8.411 11.443 230 HA TYR 40 HA TYR 40 12.515 9.279 9.453 231 HB2 TYR 40 HB2 TYR 40 11.478 10.900 11.825 232 HB3 TYR 40 HB1 TYR 40 12.647 11.410 10.618 233 HD1 TYR 40 HD1 TYR 40 11.855 11.736 8.241 234 HD2 TYR 40 HD2 TYR 40 9.117 11.316 11.498 235 HE1 TYR 40 HE1 TYR 40 10.090 12.783 6.902 236 HE2 TYR 40 HE2 TYR 40 7.388 12.355 10.141 237 HH TYR 40 HH TYR 40 7.235 13.899 8.252 238 H THR 41 HN THR 41 14.573 9.997 10.676 239 HA THR 41 HA THR 41 14.885 8.974 13.303 240 HB THR 41 HB THR 41 15.274 6.937 12.345 241 HG1 THR 41 HG1 THR 41 16.842 7.393 13.793 242 HG21 THR 41 HG21 THR 41 17.005 8.221 10.194 243 HG22 THR 41 HG22 THR 41 15.421 7.429 10.011 244 HG23 THR 41 HG23 THR 41 16.812 6.482 10.450 245 H ALA 42 HN ALA 42 16.719 9.754 14.260 246 HA ALA 42 HA ALA 42 18.278 11.828 12.892 247 HB1 ALA 42 HB1 ALA 42 16.243 12.986 13.674 248 HB2 ALA 42 HB2 ALA 42 17.688 13.531 14.533 249 HB3 ALA 42 HB3 ALA 42 16.573 12.407 15.308 250 H ASN 43 HN ASN 43 20.139 12.425 14.154 251 HA ASN 43 HA ASN 43 20.986 10.320 15.907 252 HB2 ASN 43 HB2 ASN 43 22.299 12.878 15.045 253 HB3 ASN 43 HB1 ASN 43 22.966 11.942 16.374 254 HD21 ASN 43 HD21 ASN 43 24.138 12.553 13.803 255 HD22 ASN 43 HD22 ASN 43 24.462 11.043 13.045 256 H ARG 44 HN ARG 44 21.541 10.590 18.218 257 HA ARG 44 HA ARG 44 19.852 12.218 19.623 258 HB2 ARG 44 HB2 ARG 44 21.831 11.815 21.420 259 HB3 ARG 44 HB1 ARG 44 20.531 10.702 20.992 260 HG2 ARG 44 HG2 ARG 44 21.977 9.453 19.590 261 HG3 ARG 44 HG1 ARG 44 23.310 10.562 19.831 262 HD2 ARG 44 HD2 ARG 44 23.560 9.920 22.079 263 HD3 ARG 44 HD1 ARG 44 21.960 9.178 22.134 264 HE ARG 44 HE ARG 44 23.533 7.877 20.201 265 HH11 ARG 44 HH11 ARG 44 23.616 8.211 23.698 266 HH12 ARG 44 HH12 ARG 44 23.912 6.554 23.985 267 HH21 ARG 44 HH21 ARG 44 23.986 5.701 20.545 268 HH22 ARG 44 HH22 ARG 44 24.194 5.067 22.121 269 H ASN 45 HN ASN 45 19.722 14.165 19.766 270 HA ASN 45 HA ASN 45 20.050 16.324 19.978 271 HB2 ASN 45 HB2 ASN 45 22.997 16.086 20.045 272 HB3 ASN 45 HB1 ASN 45 21.982 17.348 20.761 273 HD21 ASN 45 HD21 ASN 45 20.692 16.675 22.675 274 HD22 ASN 45 HD22 ASN 45 21.348 15.454 23.716 275 H GLU 46 HN GLU 46 19.222 15.920 17.826 276 HA GLU 46 HA GLU 46 20.781 17.338 15.914 277 HB2 GLU 46 HB2 GLU 46 21.517 15.101 15.420 278 HB3 GLU 46 HB1 GLU 46 19.876 14.480 15.504 279 HG2 GLU 46 HG2 GLU 46 19.264 15.650 13.528 280 HG3 GLU 46 HG1 GLU 46 20.811 16.494 13.575 281 H GLU 47 HN GLU 47 19.426 18.747 14.951 282 HA GLU 47 HA GLU 47 16.596 18.334 15.051 283 HB2 GLU 47 HB2 GLU 47 17.974 20.491 13.466 284 HB3 GLU 47 HB1 GLU 47 16.320 20.478 14.038 285 HG2 GLU 47 HG2 GLU 47 17.234 21.963 15.468 286 HG3 GLU 47 HG1 GLU 47 17.517 20.484 16.382 287 H ILE 48 HN ILE 48 15.335 17.650 13.459 288 HA ILE 48 HA ILE 48 16.420 17.254 10.803 289 HB ILE 48 HB ILE 48 14.525 15.705 10.470 290 HG12 ILE 48 HG12 ILE 48 13.970 16.128 13.417 291 HG13 ILE 48 HG11 ILE 48 12.980 16.634 12.051 292 HG21 ILE 48 HG21 ILE 48 16.312 14.952 12.763 293 HG22 ILE 48 HG22 ILE 48 16.608 14.700 11.035 294 HG23 ILE 48 HG23 ILE 48 15.316 13.826 11.846 295 HD11 ILE 48 HD11 ILE 48 13.572 13.779 12.767 296 HD12 ILE 48 HD12 ILE 48 12.550 14.353 11.442 297 HD13 ILE 48 HD13 ILE 48 12.069 14.648 13.116 298 H THR 49 HN THR 49 14.218 17.341 9.274 299 HA THR 49 HA THR 49 12.560 19.507 10.223 300 HB THR 49 HB THR 49 13.211 19.404 7.386 301 HG1 THR 49 HG1 THR 49 15.290 19.370 8.508 302 HG21 THR 49 HG21 THR 49 12.974 21.871 7.603 303 HG22 THR 49 HG22 THR 49 12.783 21.659 9.341 304 HG23 THR 49 HG23 THR 49 11.585 20.985 8.240 305 H ILE 50 HN ILE 50 10.497 19.055 9.827 306 HA ILE 50 HA ILE 50 9.861 16.912 7.942 307 HB ILE 50 HB ILE 50 8.463 17.537 10.552 308 HG12 ILE 50 HG12 ILE 50 9.931 15.063 9.649 309 HG13 ILE 50 HG11 ILE 50 10.590 16.310 10.705 310 HG21 ILE 50 HG21 ILE 50 7.777 15.524 8.417 311 HG22 ILE 50 HG22 ILE 50 6.816 16.929 8.881 312 HG23 ILE 50 HG23 ILE 50 7.023 15.590 10.012 313 HD11 ILE 50 HD11 ILE 50 8.815 15.802 12.335 314 HD12 ILE 50 HD12 ILE 50 9.812 14.380 11.992 315 HD13 ILE 50 HD13 ILE 50 8.212 14.537 11.267 316 H GLU 51 HN GLU 51 8.955 18.166 6.249 317 HA GLU 51 HA GLU 51 7.724 19.696 5.145 318 HB2 GLU 51 HB2 GLU 51 5.883 18.983 7.410 319 HB3 GLU 51 HB1 GLU 51 5.368 20.008 6.059 320 HG2 GLU 51 HG2 GLU 51 5.992 18.407 4.525 321 HG3 GLU 51 HG1 GLU 51 6.603 17.293 5.744 322 H GLU 52 HN GLU 52 9.651 20.771 6.506 323 HA GLU 52 HA GLU 52 10.626 22.633 7.023 324 HB2 GLU 52 HB2 GLU 52 8.032 24.068 6.517 325 HB3 GLU 52 HB1 GLU 52 9.639 24.787 6.553 326 HG2 GLU 52 HG2 GLU 52 8.409 23.053 4.458 327 HG3 GLU 52 HG1 GLU 52 9.197 24.632 4.351 328 H TYR 53 HN TYR 53 8.600 21.174 8.933 329 HA TYR 53 HA TYR 53 8.688 23.114 11.099 330 HB2 TYR 53 HB2 TYR 53 7.741 20.228 11.196 331 HB3 TYR 53 HB1 TYR 53 7.332 21.530 12.304 332 HD1 TYR 53 HD2 TYR 53 6.444 23.667 10.516 333 HD2 TYR 53 HD1 TYR 53 5.741 19.473 10.209 334 HE1 TYR 53 HE2 TYR 53 4.407 24.096 9.247 335 HE2 TYR 53 HE1 TYR 53 3.724 19.894 8.945 336 HH TYR 53 HH TYR 53 3.110 22.823 7.551 337 H LYS 54 HN LYS 54 10.620 23.189 12.124 338 HA LYS 54 HA LYS 54 12.561 21.122 11.708 339 HB2 LYS 54 HB2 LYS 54 12.822 23.669 11.673 340 HB3 LYS 54 HB1 LYS 54 12.757 23.480 13.435 341 HG2 LYS 54 HG2 LYS 54 14.986 23.664 12.727 342 HG3 LYS 54 HG1 LYS 54 14.710 21.994 13.291 343 HD2 LYS 54 HD2 LYS 54 14.538 21.255 10.982 344 HD3 LYS 54 HD1 LYS 54 14.683 22.913 10.408 345 HE2 LYS 54 HE2 LYS 54 16.787 21.334 11.883 346 HE3 LYS 54 HE1 LYS 54 16.777 21.697 10.159 347 HZ1 LYS 54 HZ1 LYS 54 16.911 24.084 10.747 348 HZ2 LYS 54 HZ2 LYS 54 18.224 23.208 11.267 349 HZ3 LYS 54 HZ3 LYS 54 17.077 23.678 12.379 350 H VAL 55 HN VAL 55 13.118 19.662 13.163 351 HA VAL 55 HA VAL 55 11.755 19.683 15.784 352 HB VAL 55 HB VAL 55 12.164 17.327 13.930 353 HG11 VAL 55 HG11 VAL 55 10.733 17.461 16.566 354 HG12 VAL 55 HG12 VAL 55 12.289 16.677 16.245 355 HG13 VAL 55 HG13 VAL 55 10.821 16.067 15.484 356 HG21 VAL 55 HG21 VAL 55 9.721 17.280 13.718 357 HG22 VAL 55 HG22 VAL 55 10.413 18.777 13.089 358 HG23 VAL 55 HG23 VAL 55 9.622 18.767 14.664 359 H PHE 56 HN PHE 56 13.235 19.555 17.407 360 HA PHE 56 HA PHE 56 15.923 18.619 16.799 361 HB2 PHE 56 HB2 PHE 56 15.923 20.754 17.881 362 HB3 PHE 56 HB1 PHE 56 14.746 20.202 19.082 363 HD1 PHE 56 HD1 PHE 56 18.227 19.501 17.875 364 HD2 PHE 56 HD2 PHE 56 15.478 19.475 21.131 365 HE1 PHE 56 HE1 PHE 56 20.029 18.862 19.383 366 HE2 PHE 56 HE2 PHE 56 17.276 18.830 22.649 367 HZ PHE 56 HZ PHE 56 19.572 18.518 21.787 368 H VAL 57 HN VAL 57 16.418 16.589 17.292 369 HA VAL 57 HA VAL 57 14.784 15.258 19.304 370 HB VAL 57 HB VAL 57 16.863 14.089 17.432 371 HG11 VAL 57 HG11 VAL 57 16.616 12.809 19.516 372 HG12 VAL 57 HG12 VAL 57 15.960 11.909 18.153 373 HG13 VAL 57 HG13 VAL 57 14.877 12.735 19.272 374 HG21 VAL 57 HG21 VAL 57 13.863 14.047 17.360 375 HG22 VAL 57 HG22 VAL 57 14.913 13.138 16.275 376 HG23 VAL 57 HG23 VAL 57 14.922 14.911 16.241 377 H ASN 58 HN ASN 58 15.458 15.014 21.251 378 HA ASN 58 HA ASN 58 18.001 15.965 22.089 379 HB2 ASN 58 HB2 ASN 58 15.905 16.357 23.316 380 HB3 ASN 58 HB1 ASN 58 15.753 14.620 23.647 381 HD21 ASN 58 HD21 ASN 58 15.809 14.901 25.876 382 HD22 ASN 58 HD22 ASN 58 17.236 15.406 26.690 383 H GLU 59 HN GLU 59 18.992 14.360 23.875 384 HA GLU 59 HA GLU 59 19.920 12.220 22.182 385 HB2 GLU 59 HB2 GLU 59 21.635 11.620 23.726 386 HB3 GLU 59 HB1 GLU 59 21.574 13.364 23.589 387 HG2 GLU 59 HG2 GLU 59 20.239 11.870 25.780 388 HG3 GLU 59 HG1 GLU 59 21.913 12.383 25.908 389 H ALA 60 HN ALA 60 17.626 12.383 24.528 390 HA ALA 60 HA ALA 60 17.632 9.570 25.098 391 HB1 ALA 60 HB1 ALA 60 15.599 9.914 26.356 392 HB2 ALA 60 HB2 ALA 60 15.485 11.569 25.755 393 HB3 ALA 60 HB3 ALA 60 16.828 11.094 26.822 394 H CYS 61 HN CYS 61 17.003 11.147 22.451 395 HA CYS 61 HA CYS 61 16.056 10.645 20.496 396 HB2 CYS 61 HB2 CYS 61 15.443 8.051 21.889 397 HB3 CYS 61 HB1 CYS 61 15.298 8.312 20.149 398 H HIS 62 HN HIS 62 14.785 12.042 22.293 399 HA HIS 62 HA HIS 62 12.013 11.553 21.420 400 HB2 HIS 62 HB2 HIS 62 12.442 11.509 23.989 401 HB3 HIS 62 HB1 HIS 62 12.584 13.258 23.841 402 HD1 HIS 62 HD1 HIS 62 10.390 14.297 24.563 403 HD2 HIS 62 HD2 HIS 62 9.861 10.743 22.480 404 HE1 HIS 62 HE1 HIS 62 7.900 13.966 24.347 405 HA PRO 63 HA PRO 63 12.778 15.286 19.139 406 HB2 PRO 63 HB2 PRO 63 10.590 15.238 17.663 407 HB3 PRO 63 HB1 PRO 63 11.792 13.942 17.486 408 HG2 PRO 63 HG2 PRO 63 9.243 13.911 19.023 409 HG3 PRO 63 HG1 PRO 63 9.894 12.691 17.905 410 HD2 PRO 63 HD2 PRO 63 10.162 12.453 20.581 411 HD3 PRO 63 HD1 PRO 63 11.346 11.856 19.418 412 H TYR 64 HN TYR 64 12.287 17.375 19.268 413 HA TYR 64 HA TYR 64 9.708 18.171 20.280 414 HB2 TYR 64 HB2 TYR 64 12.342 19.308 21.137 415 HB3 TYR 64 HB1 TYR 64 10.839 20.241 21.238 416 HD1 TYR 64 HD2 TYR 64 8.980 19.388 22.552 417 HD2 TYR 64 HD1 TYR 64 12.804 17.713 22.580 418 HE1 TYR 64 HE2 TYR 64 8.415 18.273 24.720 419 HE2 TYR 64 HE1 TYR 64 12.328 16.533 24.775 420 HH TYR 64 HH TYR 64 9.179 16.296 26.022 421 HA PRO 65 HA PRO 65 8.440 19.643 20.394 422 HB2 PRO 65 HB2 PRO 65 6.283 20.248 18.892 423 HB3 PRO 65 HB1 PRO 65 7.326 21.483 19.629 424 HG2 PRO 65 HG2 PRO 65 7.222 20.521 16.874 425 HG3 PRO 65 HG1 PRO 65 7.561 22.173 17.537 426 HD2 PRO 65 HD2 PRO 65 9.441 20.403 16.535 427 HD3 PRO 65 HD1 PRO 65 9.770 21.758 17.629 428 H VAL 66 HN VAL 66 6.651 18.257 20.656 429 HA VAL 66 HA VAL 66 7.006 15.742 19.290 430 HB VAL 66 HB VAL 66 5.192 16.543 21.587 431 HG11 VAL 66 HG11 VAL 66 5.985 13.815 20.587 432 HG12 VAL 66 HG12 VAL 66 4.377 14.531 20.489 433 HG13 VAL 66 HG13 VAL 66 5.077 14.132 22.061 434 HG21 VAL 66 HG21 VAL 66 7.541 16.853 22.117 435 HG22 VAL 66 HG22 VAL 66 7.901 15.227 21.579 436 HG23 VAL 66 HG23 VAL 66 6.902 15.475 23.014 437 H ILE 67 HN ILE 67 4.351 18.046 19.916 438 HA ILE 67 HA ILE 67 3.107 16.878 17.622 439 HB ILE 67 HB ILE 67 1.921 18.425 19.867 440 HG12 ILE 67 HG12 ILE 67 0.082 16.888 19.504 441 HG13 ILE 67 HG11 ILE 67 0.888 16.213 18.103 442 HG21 ILE 67 HG21 ILE 67 1.318 19.903 18.008 443 HG22 ILE 67 HG22 ILE 67 -0.101 19.028 18.588 444 HG23 ILE 67 HG23 ILE 67 0.704 18.521 17.109 445 HD11 ILE 67 HD11 ILE 67 1.812 16.093 20.951 446 HD12 ILE 67 HD12 ILE 67 2.680 15.445 19.539 447 HD13 ILE 67 HD13 ILE 67 1.102 14.778 19.996 448 H LEU 68 HN LEU 68 3.167 17.658 15.839 449 HA LEU 68 HA LEU 68 4.659 20.105 15.324 450 HB2 LEU 68 HB2 LEU 68 3.329 18.148 13.453 451 HB3 LEU 68 HB1 LEU 68 4.311 19.502 12.943 452 HG LEU 68 HG LEU 68 5.229 17.050 14.436 453 HD11 LEU 68 HD11 LEU 68 6.555 16.703 12.432 454 HD12 LEU 68 HD12 LEU 68 5.902 18.200 11.760 455 HD13 LEU 68 HD13 LEU 68 4.829 16.826 12.028 456 HD21 LEU 68 HD21 LEU 68 6.791 19.519 13.668 457 HD22 LEU 68 HD22 LEU 68 7.479 18.018 14.281 458 HD23 LEU 68 HD23 LEU 68 6.429 18.984 15.314 459 HA PRO 69 HA PRO 69 1.161 22.781 14.649 460 HB2 PRO 69 HB2 PRO 69 2.153 23.807 12.144 461 HB3 PRO 69 HB1 PRO 69 2.159 24.623 13.724 462 HG2 PRO 69 HG2 PRO 69 4.462 23.899 12.575 463 HG3 PRO 69 HG1 PRO 69 4.206 23.779 14.340 464 HD2 PRO 69 HD2 PRO 69 3.956 21.644 12.276 465 HD3 PRO 69 HD1 PRO 69 4.893 21.543 13.765 466 H ASP 70 HN ASP 70 1.840 20.348 12.803 467 HA ASP 70 HA ASP 70 -0.385 20.488 10.986 468 HB2 ASP 70 HB2 ASP 70 1.693 19.801 10.029 469 HB3 ASP 70 HB1 ASP 70 1.911 18.569 11.258 470 H ARG 71 HN ARG 71 0.253 19.378 14.161 471 HA ARG 71 HA ARG 71 -0.905 18.184 15.694 472 HB2 ARG 71 HB2 ARG 71 -2.879 19.166 14.475 473 HB3 ARG 71 HB1 ARG 71 -2.898 17.740 13.476 474 HG2 ARG 71 HG2 ARG 71 -4.631 17.351 15.015 475 HG3 ARG 71 HG1 ARG 71 -3.225 16.488 15.653 476 HD2 ARG 71 HD2 ARG 71 -3.508 19.242 16.600 477 HD3 ARG 71 HD1 ARG 71 -4.771 18.139 17.131 478 HE ARG 71 HE ARG 71 -2.523 16.781 17.630 479 HH11 ARG 71 HH11 ARG 71 -3.396 20.104 18.483 480 HH12 ARG 71 HH12 ARG 71 -2.706 20.033 20.034 481 HH21 ARG 71 HH21 ARG 71 -1.684 16.654 19.778 482 HH22 ARG 71 HH22 ARG 71 -1.677 18.013 20.793 483 H SER 72 HN SER 72 0.880 17.051 13.496 484 HA SER 72 HA SER 72 0.325 14.246 13.833 485 HB2 SER 72 HB2 SER 72 2.853 15.576 12.729 486 HB3 SER 72 HB1 SER 72 2.447 13.848 12.706 487 HG SER 72 HG SER 72 1.086 15.852 11.206 488 H VAL 73 HN VAL 73 1.249 12.957 15.147 489 HA VAL 73 HA VAL 73 2.367 13.923 17.655 490 HB VAL 73 HB VAL 73 1.216 11.387 16.539 491 HG11 VAL 73 HG11 VAL 73 2.489 11.601 19.284 492 HG12 VAL 73 HG12 VAL 73 3.092 10.678 17.896 493 HG13 VAL 73 HG13 VAL 73 1.572 10.221 18.639 494 HG21 VAL 73 HG21 VAL 73 0.384 13.051 18.873 495 HG22 VAL 73 HG22 VAL 73 -0.332 11.516 18.369 496 HG23 VAL 73 HG23 VAL 73 -0.414 12.913 17.287 497 H LEU 74 HN LEU 74 4.583 13.891 17.821 498 HA LEU 74 HA LEU 74 5.945 11.887 16.208 499 HB2 LEU 74 HB2 LEU 74 6.744 14.529 17.203 500 HB3 LEU 74 HB1 LEU 74 7.957 13.262 17.305 501 HG LEU 74 HG LEU 74 7.947 12.909 14.975 502 HD11 LEU 74 HD11 LEU 74 5.642 14.835 14.826 503 HD12 LEU 74 HD12 LEU 74 5.592 13.094 14.557 504 HD13 LEU 74 HD13 LEU 74 6.502 14.122 13.446 505 HD21 LEU 74 HD21 LEU 74 9.228 14.795 15.821 506 HD22 LEU 74 HD22 LEU 74 7.861 15.873 15.511 507 HD23 LEU 74 HD23 LEU 74 8.678 15.061 14.172 508 H SER 75 HN SER 75 6.634 10.191 16.992 509 HA SER 75 HA SER 75 7.049 10.074 19.919 510 HB2 SER 75 HB2 SER 75 6.189 7.815 18.099 511 HB3 SER 75 HB1 SER 75 6.366 7.729 19.856 512 HG SER 75 HG SER 75 4.796 9.774 18.955 513 H GLY 76 HN GLY 76 9.126 9.821 20.417 514 HA2 GLY 76 HA2 GLY 76 10.801 8.708 18.289 515 HA3 GLY 76 HA1 GLY 76 11.338 9.968 19.402 516 H ASP 77 HN ASP 77 12.382 7.277 18.851 517 HA ASP 77 HA ASP 77 12.773 6.568 21.652 518 HB2 ASP 77 HB2 ASP 77 10.794 5.202 20.512 519 HB3 ASP 77 HB1 ASP 77 12.120 4.383 19.702 520 H PHE 78 HN PHE 78 14.423 4.738 21.477 521 HA PHE 78 HA PHE 78 16.585 5.840 19.889 522 HB2 PHE 78 HB2 PHE 78 16.312 3.507 21.681 523 HB3 PHE 78 HB1 PHE 78 17.854 3.860 20.905 524 HD1 PHE 78 HD1 PHE 78 15.335 5.088 23.397 525 HD2 PHE 78 HD2 PHE 78 19.342 5.466 21.955 526 HE1 PHE 78 HE1 PHE 78 15.918 6.441 25.341 527 HE2 PHE 78 HE2 PHE 78 19.906 6.815 23.903 528 HZ PHE 78 HZ PHE 78 18.197 7.310 25.607 529 H THR 79 HN THR 79 17.382 4.930 17.961 530 HA THR 79 HA THR 79 15.656 3.199 16.487 531 HB THR 79 HB THR 79 18.483 3.653 15.793 532 HG1 THR 79 HG1 THR 79 18.097 5.633 15.226 533 HG21 THR 79 HG21 THR 79 15.970 3.484 14.195 534 HG22 THR 79 HG22 THR 79 17.246 2.251 14.313 535 HG23 THR 79 HG23 THR 79 17.568 3.808 13.526 536 H SER 80 HN SER 80 18.181 2.728 18.696 537 HA SER 80 HA SER 80 19.530 0.496 17.882 538 HB2 SER 80 HB2 SER 80 19.898 0.292 20.395 539 HB3 SER 80 HB1 SER 80 20.375 1.812 19.623 540 HG SER 80 HG SER 80 19.003 1.794 21.653 541 H ALA 81 HN ALA 81 16.438 0.845 19.491 542 HA ALA 81 HA ALA 81 16.233 -2.023 19.707 543 HB1 ALA 81 HB1 ALA 81 15.936 -0.764 21.781 544 HB2 ALA 81 HB2 ALA 81 14.429 -1.590 21.358 545 HB3 ALA 81 HB3 ALA 81 14.617 0.136 21.048 546 H TYR 82 HN TYR 82 15.691 -0.214 17.427 547 HA TYR 82 HA TYR 82 13.019 -1.144 16.841 548 HB2 TYR 82 HB2 TYR 82 14.157 1.500 16.455 549 HB3 TYR 82 HB1 TYR 82 12.931 0.981 15.300 550 HD1 TYR 82 HD2 TYR 82 13.455 0.859 19.000 551 HD2 TYR 82 HD1 TYR 82 10.793 1.805 15.835 552 HE1 TYR 82 HE2 TYR 82 11.778 1.511 20.633 553 HE2 TYR 82 HE1 TYR 82 9.085 2.467 17.470 554 HH TYR 82 HH TYR 82 9.882 2.771 20.844 555 H ALA 83 HN ALA 83 15.342 0.555 14.765 556 HA ALA 83 HA ALA 83 14.893 -1.475 12.763 557 HB1 ALA 83 HB1 ALA 83 14.564 0.834 12.112 558 HB2 ALA 83 HB2 ALA 83 15.900 0.094 11.205 559 HB3 ALA 83 HB3 ALA 83 16.241 1.194 12.551 560 H ASP 84 HN ASP 84 17.131 -0.516 15.055 561 HA ASP 84 HA ASP 84 19.400 -1.765 13.787 562 HB2 ASP 84 HB2 ASP 84 19.491 0.383 15.180 563 HB3 ASP 84 HB1 ASP 84 19.056 -0.645 16.536 564 H ASP 85 HN ASP 85 16.690 -2.736 14.956 565 HA ASP 85 HA ASP 85 17.723 -5.049 16.437 566 HB2 ASP 85 HB2 ASP 85 16.515 -3.523 17.986 567 HB3 ASP 85 HB1 ASP 85 15.092 -3.617 16.961 568 H ASP 86 HN ASP 86 16.067 -6.889 16.277 569 HA ASP 86 HA ASP 86 15.545 -7.146 13.407 570 HB2 ASP 86 HB2 ASP 86 17.055 -8.764 14.442 571 HB3 ASP 86 HB1 ASP 86 15.787 -9.241 15.552 572 H GLU 87 HN GLU 87 13.400 -6.514 12.960 573 HA GLU 87 HA GLU 87 11.573 -8.409 14.068 574 HB2 GLU 87 HB2 GLU 87 9.746 -6.832 13.682 575 HB3 GLU 87 HB1 GLU 87 10.771 -6.415 15.065 576 HG2 GLU 87 HG2 GLU 87 11.781 -4.720 13.775 577 HG3 GLU 87 HG1 GLU 87 10.868 -5.161 12.325 578 H SER 88 HN SER 88 11.307 -9.794 12.516 579 HA SER 88 HA SER 88 10.803 -10.778 10.604 580 HB2 SER 88 HB2 SER 88 9.885 -8.058 9.648 581 HB3 SER 88 HB1 SER 88 9.513 -9.598 8.866 582 HG SER 88 HG SER 88 8.955 -9.654 11.510 583 H CYS 89 HN CYS 89 12.212 -7.676 9.612 584 HA CYS 89 HA CYS 89 13.875 -7.091 8.300 585 HB2 CYS 89 HB2 CYS 89 15.033 -9.740 9.140 586 HB3 CYS 89 HB1 CYS 89 15.942 -8.483 8.299 587 HG CYS 89 HG CYS 89 15.711 -8.888 11.425 Start of MODEL 15 1 H GLY 11 HT1 GLY 11 7.401 8.013 2.427 2 HA2 GLY 11 HA1 GLY 11 5.746 7.851 4.876 3 HA3 GLY 11 HA2 GLY 11 5.890 6.583 3.655 4 H ARG 12 HN ARG 12 7.810 5.543 3.404 5 HA ARG 12 HA ARG 12 10.021 6.076 5.182 6 HB2 ARG 12 HB2 ARG 12 10.134 3.794 6.096 7 HB3 ARG 12 HB1 ARG 12 8.642 4.578 6.571 8 HG2 ARG 12 HG2 ARG 12 7.417 3.311 4.916 9 HG3 ARG 12 HG1 ARG 12 8.911 2.583 4.333 10 HD2 ARG 12 HD2 ARG 12 9.255 1.628 6.582 11 HD3 ARG 12 HD1 ARG 12 7.685 2.272 7.057 12 HE ARG 12 HE ARG 12 6.831 0.874 5.107 13 HH11 ARG 12 HH11 ARG 12 9.584 -0.025 7.084 14 HH12 ARG 12 HH12 ARG 12 9.366 -1.686 7.001 15 HH21 ARG 12 HH21 ARG 12 6.463 -1.400 4.891 16 HH22 ARG 12 HH22 ARG 12 7.485 -2.522 5.676 17 H GLU 13 HN GLU 13 8.503 4.031 2.781 18 HA GLU 13 HA GLU 13 9.044 3.210 0.874 19 HB2 GLU 13 HB2 GLU 13 11.017 5.468 0.929 20 HB3 GLU 13 HB1 GLU 13 10.868 4.403 -0.461 21 HG2 GLU 13 HG2 GLU 13 9.604 6.508 -0.717 22 HG3 GLU 13 HG1 GLU 13 8.594 5.076 -0.804 23 H ASN 14 HN ASN 14 12.368 3.931 1.447 24 HA ASN 14 HA ASN 14 13.403 1.704 2.617 25 HB2 ASN 14 HB2 ASN 14 13.047 1.285 -0.343 26 HB3 ASN 14 HB1 ASN 14 14.553 0.773 0.391 27 HD21 ASN 14 HD21 ASN 14 12.493 -0.754 -0.924 28 HD22 ASN 14 HD22 ASN 14 11.933 -1.941 0.184 29 H LEU 15 HN LEU 15 13.914 3.484 -0.370 30 HA LEU 15 HA LEU 15 15.484 4.842 -1.147 31 HB2 LEU 15 HB2 LEU 15 16.485 5.090 1.703 32 HB3 LEU 15 HB1 LEU 15 16.974 6.105 0.361 33 HG LEU 15 HG LEU 15 14.212 5.985 1.571 34 HD11 LEU 15 HD11 LEU 15 15.784 7.056 3.047 35 HD12 LEU 15 HD12 LEU 15 14.710 8.263 2.338 36 HD13 LEU 15 HD13 LEU 15 16.358 8.083 1.738 37 HD21 LEU 15 HD21 LEU 15 14.102 6.480 -0.811 38 HD22 LEU 15 HD22 LEU 15 15.310 7.748 -0.617 39 HD23 LEU 15 HD23 LEU 15 13.726 7.919 0.139 40 H TYR 16 HN TYR 16 18.209 4.921 -1.141 41 HA TYR 16 HA TYR 16 18.573 2.072 -1.369 42 HB2 TYR 16 HB2 TYR 16 19.132 3.494 -3.372 43 HB3 TYR 16 HB1 TYR 16 20.545 4.055 -2.473 44 HD1 TYR 16 HD2 TYR 16 18.944 1.143 -4.042 45 HD2 TYR 16 HD1 TYR 16 22.461 2.558 -2.110 46 HE1 TYR 16 HE2 TYR 16 20.124 -0.909 -4.704 47 HE2 TYR 16 HE1 TYR 16 23.647 0.505 -2.765 48 HH TYR 16 HH TYR 16 23.119 -1.789 -3.364 49 H PHE 17 HN PHE 17 18.648 1.746 0.749 50 HA PHE 17 HA PHE 17 21.410 1.795 1.679 51 HB2 PHE 17 HB2 PHE 17 18.961 1.837 3.499 52 HB3 PHE 17 HB1 PHE 17 20.656 1.790 3.975 53 HD1 PHE 17 HD2 PHE 17 22.058 3.754 3.812 54 HD2 PHE 17 HD1 PHE 17 17.925 3.893 2.850 55 HE1 PHE 17 HE2 PHE 17 22.120 6.208 3.946 56 HE2 PHE 17 HE1 PHE 17 17.972 6.351 2.981 57 HZ PHE 17 HZ PHE 17 20.066 7.507 3.527 58 H GLN 18 HN GLN 18 21.754 -0.083 0.700 59 HA GLN 18 HA GLN 18 20.097 -2.343 1.515 60 HB2 GLN 18 HB2 GLN 18 19.691 -1.705 -0.802 61 HB3 GLN 18 HB1 GLN 18 21.403 -1.739 -1.147 62 HG2 GLN 18 HG2 GLN 18 21.455 -4.127 -0.978 63 HG3 GLN 18 HG1 GLN 18 19.805 -4.152 -0.353 64 HE21 GLN 18 HE21 GLN 18 18.743 -2.205 -2.174 65 HE22 GLN 18 HE22 GLN 18 18.665 -2.935 -3.720 66 H GLY 19 HN GLY 19 21.185 -3.798 2.592 67 HA2 GLY 19 HA2 GLY 19 23.140 -5.182 2.967 68 HA3 GLY 19 HA1 GLY 19 24.135 -3.786 2.516 69 H HIS 20 HN HIS 20 23.280 -1.782 3.710 70 HA HIS 20 HA HIS 20 22.759 -2.341 6.524 71 HB2 HIS 20 HB2 HIS 20 25.015 -0.726 5.408 72 HB3 HIS 20 HB1 HIS 20 24.233 -0.159 6.869 73 HD1 HIS 20 HD1 HIS 20 25.117 -1.081 9.005 74 HD2 HIS 20 HD2 HIS 20 26.154 -3.417 5.725 75 HE1 HIS 20 HE1 HIS 20 26.759 -2.798 9.851 76 H MET 21 HN MET 21 20.682 -1.634 6.559 77 HA MET 21 HA MET 21 19.896 0.907 5.464 78 HB2 MET 21 HB2 MET 21 18.312 -1.010 6.032 79 HB3 MET 21 HB1 MET 21 18.625 -0.620 7.723 80 HG2 MET 21 HG2 MET 21 16.547 0.354 7.020 81 HG3 MET 21 HG1 MET 21 17.723 1.603 7.398 82 HE1 MET 21 HE1 MET 21 15.047 2.230 5.913 83 HE2 MET 21 HE2 MET 21 15.611 3.287 4.617 84 HE3 MET 21 HE3 MET 21 16.286 3.446 6.238 85 H ALA 22 HN ALA 22 21.262 2.423 6.152 86 HA ALA 22 HA ALA 22 22.362 2.415 8.781 87 HB1 ALA 22 HB1 ALA 22 22.553 4.536 6.653 88 HB2 ALA 22 HB2 ALA 22 23.652 3.172 6.839 89 HB3 ALA 22 HB3 ALA 22 23.558 4.408 8.096 90 H TRP 23 HN TRP 23 20.753 2.649 10.273 91 HA TRP 23 HA TRP 23 19.126 5.007 10.154 92 HB2 TRP 23 HB2 TRP 23 19.279 2.870 12.335 93 HB3 TRP 23 HB1 TRP 23 18.207 4.254 12.218 94 HD1 TRP 23 HD1 TRP 23 18.881 1.069 10.366 95 HE1 TRP 23 HE1 TRP 23 16.700 0.418 9.106 96 HE3 TRP 23 HE3 TRP 23 16.268 4.995 11.673 97 HZ2 TRP 23 HZ2 TRP 23 14.042 1.704 8.753 98 HZ3 TRP 23 HZ3 TRP 23 13.908 5.296 10.906 99 HH2 TRP 23 HH2 TRP 23 12.864 3.629 9.478 100 H LYS 24 HN LYS 24 19.026 6.417 11.952 101 HA LYS 24 HA LYS 24 21.678 7.268 12.829 102 HB2 LYS 24 HB2 LYS 24 18.976 8.545 13.244 103 HB3 LYS 24 HB1 LYS 24 20.541 9.247 13.598 104 HG2 LYS 24 HG2 LYS 24 19.748 8.492 10.801 105 HG3 LYS 24 HG1 LYS 24 19.444 10.091 11.492 106 HD2 LYS 24 HD2 LYS 24 21.747 10.413 11.903 107 HD3 LYS 24 HD1 LYS 24 22.174 8.804 11.393 108 HE2 LYS 24 HE2 LYS 24 21.081 11.092 9.722 109 HE3 LYS 24 HE1 LYS 24 22.711 10.439 9.658 110 HZ1 LYS 24 HZ1 LYS 24 20.222 9.081 8.727 111 HZ2 LYS 24 HZ2 LYS 24 21.730 8.353 8.808 112 HZ3 LYS 24 HZ3 LYS 24 21.504 9.655 7.787 113 H ASP 25 HN ASP 25 21.110 8.438 15.169 114 HA ASP 25 HA ASP 25 21.320 6.120 16.806 115 HB2 ASP 25 HB2 ASP 25 21.612 8.983 17.268 116 HB3 ASP 25 HB1 ASP 25 21.620 7.960 18.704 117 H CYS 26 HN CYS 26 18.931 8.444 16.159 118 HA CYS 26 HA CYS 26 17.117 7.245 18.157 119 HB2 CYS 26 HB2 CYS 26 17.358 10.067 17.241 120 HB3 CYS 26 HB1 CYS 26 16.180 9.503 18.420 121 H ILE 27 HN ILE 27 15.041 7.046 17.448 122 HA ILE 27 HA ILE 27 14.702 7.393 14.560 123 HB ILE 27 HB ILE 27 15.017 5.013 15.336 124 HG12 ILE 27 HG12 ILE 27 12.231 5.222 14.305 125 HG13 ILE 27 HG11 ILE 27 13.538 5.822 13.287 126 HG21 ILE 27 HG21 ILE 27 13.210 3.875 16.421 127 HG22 ILE 27 HG22 ILE 27 12.406 5.434 16.667 128 HG23 ILE 27 HG23 ILE 27 13.969 5.113 17.435 129 HD11 ILE 27 HD11 ILE 27 12.924 3.454 12.853 130 HD12 ILE 27 HD12 ILE 27 13.562 3.066 14.489 131 HD13 ILE 27 HD13 ILE 27 14.592 3.764 13.263 132 H ILE 28 HN ILE 28 12.822 8.328 13.878 133 HA ILE 28 HA ILE 28 11.112 9.260 16.068 134 HB ILE 28 HB ILE 28 11.924 10.852 13.629 135 HG12 ILE 28 HG12 ILE 28 13.926 10.649 14.950 136 HG13 ILE 28 HG11 ILE 28 13.297 12.272 15.155 137 HG21 ILE 28 HG21 ILE 28 9.807 11.511 14.436 138 HG22 ILE 28 HG22 ILE 28 10.976 12.773 14.849 139 HG23 ILE 28 HG23 ILE 28 10.411 11.634 16.084 140 HD11 ILE 28 HD11 ILE 28 12.426 11.621 17.376 141 HD12 ILE 28 HD12 ILE 28 14.169 11.364 17.230 142 HD13 ILE 28 HD13 ILE 28 13.078 10.000 17.120 143 H GLN 29 HN GLN 29 9.198 8.383 15.689 144 HA GLN 29 HA GLN 29 8.378 7.862 12.948 145 HB2 GLN 29 HB2 GLN 29 7.385 6.841 15.595 146 HB3 GLN 29 HB1 GLN 29 6.530 6.534 14.096 147 HG2 GLN 29 HG2 GLN 29 8.725 5.512 13.246 148 HG3 GLN 29 HG1 GLN 29 9.294 5.645 14.893 149 HE21 GLN 29 HE21 GLN 29 6.764 4.923 16.149 150 HE22 GLN 29 HE22 GLN 29 6.556 3.245 15.840 151 H ARG 30 HN ARG 30 6.918 9.077 11.966 152 HA ARG 30 HA ARG 30 5.697 11.234 13.482 153 HB2 ARG 30 HB2 ARG 30 6.902 11.667 11.319 154 HB3 ARG 30 HB1 ARG 30 5.609 10.776 10.503 155 HG2 ARG 30 HG2 ARG 30 4.022 12.428 11.746 156 HG3 ARG 30 HG1 ARG 30 5.569 13.274 11.996 157 HD2 ARG 30 HD2 ARG 30 5.748 13.992 9.900 158 HD3 ARG 30 HD1 ARG 30 4.883 12.616 9.196 159 HE ARG 30 HE ARG 30 3.349 14.510 10.825 160 HH11 ARG 30 HH11 ARG 30 4.291 13.871 7.501 161 HH12 ARG 30 HH12 ARG 30 2.813 14.382 6.843 162 HH21 ARG 30 HH21 ARG 30 1.327 15.296 9.884 163 HH22 ARG 30 HH22 ARG 30 1.142 15.202 8.209 164 H TYR 31 HN TYR 31 3.737 10.696 14.326 165 HA TYR 31 HA TYR 31 2.095 8.679 13.062 166 HB2 TYR 31 HB2 TYR 31 2.228 9.883 15.731 167 HB3 TYR 31 HB1 TYR 31 0.715 9.116 15.220 168 HD1 TYR 31 HD1 TYR 31 4.346 8.588 15.789 169 HD2 TYR 31 HD2 TYR 31 0.514 6.806 15.382 170 HE1 TYR 31 HE1 TYR 31 5.267 6.455 16.549 171 HE2 TYR 31 HE2 TYR 31 1.407 4.667 16.135 172 HH TYR 31 HH TYR 31 4.395 4.378 17.615 173 H LYS 32 HN LYS 32 0.030 9.061 12.397 174 HA LYS 32 HA LYS 32 -1.039 11.709 12.611 175 HB2 LYS 32 HB2 LYS 32 0.540 11.251 10.504 176 HB3 LYS 32 HB1 LYS 32 -0.959 10.494 9.958 177 HG2 LYS 32 HG2 LYS 32 -0.733 13.335 10.866 178 HG3 LYS 32 HG1 LYS 32 -0.598 12.782 9.193 179 HD2 LYS 32 HD2 LYS 32 -2.836 11.993 9.145 180 HD3 LYS 32 HD1 LYS 32 -3.019 12.200 10.885 181 HE2 LYS 32 HE2 LYS 32 -2.923 14.592 10.663 182 HE3 LYS 32 HE1 LYS 32 -2.543 14.454 8.948 183 HZ1 LYS 32 HZ1 LYS 32 -4.643 13.734 8.455 184 HZ2 LYS 32 HZ2 LYS 32 -4.938 14.969 9.543 185 HZ3 LYS 32 HZ3 LYS 32 -5.073 13.334 10.019 186 H ASP 33 HN ASP 33 -3.025 11.380 13.160 187 HA ASP 33 HA ASP 33 -4.971 10.494 13.645 188 HB2 ASP 33 HB2 ASP 33 -4.791 9.590 10.856 189 HB3 ASP 33 HB1 ASP 33 -6.274 9.367 11.788 190 H GLY 34 HN GLY 34 -2.959 9.030 14.662 191 HA2 GLY 34 HA2 GLY 34 -3.261 7.297 16.202 192 HA3 GLY 34 HA1 GLY 34 -4.478 6.624 15.112 193 H ASP 35 HN ASP 35 -2.337 6.911 12.814 194 HA ASP 35 HA ASP 35 -0.737 4.647 13.717 195 HB2 ASP 35 HB2 ASP 35 -0.769 3.731 11.588 196 HB3 ASP 35 HB1 ASP 35 -2.454 3.925 12.038 197 H VAL 36 HN VAL 36 1.119 4.416 12.438 198 HA VAL 36 HA VAL 36 2.392 6.983 12.423 199 HB VAL 36 HB VAL 36 3.647 5.311 13.522 200 HG11 VAL 36 HG11 VAL 36 2.751 3.361 12.503 201 HG12 VAL 36 HG12 VAL 36 4.515 3.312 12.364 202 HG13 VAL 36 HG13 VAL 36 3.510 3.757 10.971 203 HG21 VAL 36 HG21 VAL 36 4.916 5.964 10.881 204 HG22 VAL 36 HG22 VAL 36 5.781 5.403 12.323 205 HG23 VAL 36 HG23 VAL 36 4.940 6.958 12.336 206 H ASN 37 HN ASN 37 2.607 8.218 10.851 207 HA ASN 37 HA ASN 37 1.660 7.454 8.237 208 HB2 ASN 37 HB2 ASN 37 0.874 9.464 9.353 209 HB3 ASN 37 HB1 ASN 37 2.510 10.079 9.322 210 HD21 ASN 37 HD21 ASN 37 -0.278 9.289 7.418 211 HD22 ASN 37 HD22 ASN 37 0.138 10.205 6.023 212 H ASN 38 HN ASN 38 4.502 9.178 9.523 213 HA ASN 38 HA ASN 38 5.970 8.154 7.256 214 HB2 ASN 38 HB2 ASN 38 6.169 10.824 8.566 215 HB3 ASN 38 HB1 ASN 38 7.425 10.182 7.515 216 HD21 ASN 38 HD21 ASN 38 6.009 12.613 6.931 217 HD22 ASN 38 HD22 ASN 38 5.108 12.342 5.487 218 H ILE 39 HN ILE 39 8.209 7.942 7.580 219 HA ILE 39 HA ILE 39 8.988 7.421 10.369 220 HB ILE 39 HB ILE 39 9.770 5.987 7.832 221 HG12 ILE 39 HG12 ILE 39 7.702 5.081 8.638 222 HG13 ILE 39 HG11 ILE 39 9.073 4.030 9.039 223 HG21 ILE 39 HG21 ILE 39 10.988 5.546 10.554 224 HG22 ILE 39 HG22 ILE 39 11.805 6.144 9.104 225 HG23 ILE 39 HG23 ILE 39 11.170 4.505 9.149 226 HD11 ILE 39 HD11 ILE 39 9.047 4.702 11.308 227 HD12 ILE 39 HD12 ILE 39 7.442 4.138 10.846 228 HD13 ILE 39 HD13 ILE 39 7.753 5.865 11.002 229 H TYR 40 HN TYR 40 10.786 8.244 11.029 230 HA TYR 40 HA TYR 40 12.701 9.483 9.229 231 HB2 TYR 40 HB2 TYR 40 11.759 11.226 11.602 232 HB3 TYR 40 HB1 TYR 40 12.836 11.563 10.295 233 HD1 TYR 40 HD1 TYR 40 12.168 12.051 8.087 234 HD2 TYR 40 HD2 TYR 40 9.204 11.448 11.102 235 HE1 TYR 40 HE1 TYR 40 10.480 13.043 6.625 236 HE2 TYR 40 HE2 TYR 40 7.533 12.442 9.629 237 HH TYR 40 HH TYR 40 7.452 14.070 7.580 238 H THR 41 HN THR 41 14.698 10.042 10.456 239 HA THR 41 HA THR 41 14.929 9.010 13.074 240 HB THR 41 HB THR 41 15.277 6.968 12.253 241 HG1 THR 41 HG1 THR 41 17.002 7.464 13.518 242 HG21 THR 41 HG21 THR 41 16.781 8.006 9.811 243 HG22 THR 41 HG22 THR 41 15.181 7.224 9.911 244 HG23 THR 41 HG23 THR 41 16.593 6.309 10.259 245 H ALA 42 HN ALA 42 16.727 9.759 14.124 246 HA ALA 42 HA ALA 42 18.200 11.916 12.779 247 HB1 ALA 42 HB1 ALA 42 17.597 13.492 14.539 248 HB2 ALA 42 HB2 ALA 42 16.581 12.266 15.291 249 HB3 ALA 42 HB3 ALA 42 16.150 12.913 13.707 250 H ASN 43 HN ASN 43 20.029 12.570 13.937 251 HA ASN 43 HA ASN 43 21.319 10.568 15.461 252 HB2 ASN 43 HB2 ASN 43 21.983 13.427 14.801 253 HB3 ASN 43 HB1 ASN 43 23.023 12.467 15.843 254 HD21 ASN 43 HD21 ASN 43 23.180 13.658 13.052 255 HD22 ASN 43 HD22 ASN 43 23.829 12.369 12.111 256 H ARG 44 HN ARG 44 21.893 10.785 17.863 257 HA ARG 44 HA ARG 44 20.070 12.212 19.401 258 HB2 ARG 44 HB2 ARG 44 21.907 11.685 21.226 259 HB3 ARG 44 HB1 ARG 44 20.829 10.468 20.544 260 HG2 ARG 44 HG2 ARG 44 22.555 9.667 19.112 261 HG3 ARG 44 HG1 ARG 44 23.668 10.917 19.597 262 HD2 ARG 44 HD2 ARG 44 23.745 10.048 21.817 263 HD3 ARG 44 HD1 ARG 44 22.458 8.889 21.474 264 HE ARG 44 HE ARG 44 24.491 8.405 19.662 265 HH11 ARG 44 HH11 ARG 44 24.243 8.398 23.190 266 HH12 ARG 44 HH12 ARG 44 25.253 7.055 23.401 267 HH21 ARG 44 HH21 ARG 44 25.906 6.572 19.929 268 HH22 ARG 44 HH22 ARG 44 26.236 5.992 21.488 269 H ASN 45 HN ASN 45 19.915 14.150 19.742 270 HA ASN 45 HA ASN 45 20.225 16.308 20.102 271 HB2 ASN 45 HB2 ASN 45 23.170 15.909 20.099 272 HB3 ASN 45 HB1 ASN 45 22.277 17.391 20.503 273 HD21 ASN 45 HD21 ASN 45 20.265 16.029 22.009 274 HD22 ASN 45 HD22 ASN 45 21.003 15.555 23.510 275 H GLU 46 HN GLU 46 19.297 16.042 17.990 276 HA GLU 46 HA GLU 46 20.867 17.497 16.131 277 HB2 GLU 46 HB2 GLU 46 21.389 15.293 15.461 278 HB3 GLU 46 HB1 GLU 46 19.716 14.769 15.610 279 HG2 GLU 46 HG2 GLU 46 19.068 15.970 13.710 280 HG3 GLU 46 HG1 GLU 46 20.583 16.878 13.735 281 H GLU 47 HN GLU 47 19.684 18.944 15.132 282 HA GLU 47 HA GLU 47 16.833 18.824 15.500 283 HB2 GLU 47 HB2 GLU 47 17.852 20.833 16.268 284 HB3 GLU 47 HB1 GLU 47 18.706 21.058 14.735 285 HG2 GLU 47 HG2 GLU 47 16.511 21.506 13.691 286 HG3 GLU 47 HG1 GLU 47 15.759 21.352 15.288 287 H ILE 48 HN ILE 48 15.872 17.815 13.982 288 HA ILE 48 HA ILE 48 16.849 17.772 11.274 289 HB ILE 48 HB ILE 48 14.933 16.265 10.840 290 HG12 ILE 48 HG12 ILE 48 14.330 16.630 13.772 291 HG13 ILE 48 HG11 ILE 48 13.362 17.059 12.369 292 HG21 ILE 48 HG21 ILE 48 16.668 15.262 13.075 293 HG22 ILE 48 HG22 ILE 48 16.970 15.134 11.322 294 HG23 ILE 48 HG23 ILE 48 15.618 14.295 12.053 295 HD11 ILE 48 HD11 ILE 48 12.502 15.062 13.451 296 HD12 ILE 48 HD12 ILE 48 14.044 14.243 13.128 297 HD13 ILE 48 HD13 ILE 48 13.024 14.774 11.788 298 H THR 49 HN THR 49 14.820 17.845 9.738 299 HA THR 49 HA THR 49 12.837 19.715 10.622 300 HB THR 49 HB THR 49 13.876 19.832 7.892 301 HG1 THR 49 HG1 THR 49 15.248 20.478 10.092 302 HG21 THR 49 HG21 THR 49 13.044 22.179 8.004 303 HG22 THR 49 HG22 THR 49 12.590 21.884 9.683 304 HG23 THR 49 HG23 THR 49 11.799 20.985 8.391 305 H ILE 50 HN ILE 50 10.987 18.996 10.086 306 HA ILE 50 HA ILE 50 10.718 16.716 8.268 307 HB ILE 50 HB ILE 50 9.195 17.359 10.796 308 HG12 ILE 50 HG12 ILE 50 10.658 14.876 9.948 309 HG13 ILE 50 HG11 ILE 50 11.278 16.112 11.040 310 HG21 ILE 50 HG21 ILE 50 8.471 15.280 8.737 311 HG22 ILE 50 HG22 ILE 50 7.554 16.733 9.131 312 HG23 ILE 50 HG23 ILE 50 7.727 15.448 10.328 313 HD11 ILE 50 HD11 ILE 50 9.406 15.623 12.572 314 HD12 ILE 50 HD12 ILE 50 10.378 14.164 12.294 315 HD13 ILE 50 HD13 ILE 50 8.835 14.383 11.470 316 H GLU 51 HN GLU 51 9.840 17.737 6.453 317 HA GLU 51 HA GLU 51 8.312 18.816 5.154 318 HB2 GLU 51 HB2 GLU 51 6.645 18.292 7.623 319 HB3 GLU 51 HB1 GLU 51 5.996 18.734 6.033 320 HG2 GLU 51 HG2 GLU 51 6.870 16.917 5.034 321 HG3 GLU 51 HG1 GLU 51 7.838 16.396 6.409 322 H GLU 52 HN GLU 52 10.081 20.364 6.472 323 HA GLU 52 HA GLU 52 10.717 22.456 6.748 324 HB2 GLU 52 HB2 GLU 52 7.901 23.172 5.997 325 HB3 GLU 52 HB1 GLU 52 9.219 24.328 6.119 326 HG2 GLU 52 HG2 GLU 52 9.023 22.054 4.177 327 HG3 GLU 52 HG1 GLU 52 8.827 23.797 3.919 328 H TYR 53 HN TYR 53 8.962 20.878 8.846 329 HA TYR 53 HA TYR 53 8.725 23.041 10.843 330 HB2 TYR 53 HB2 TYR 53 8.002 20.106 11.101 331 HB3 TYR 53 HB1 TYR 53 7.437 21.441 12.087 332 HD1 TYR 53 HD1 TYR 53 6.339 23.323 10.263 333 HD2 TYR 53 HD2 TYR 53 6.205 19.073 9.981 334 HE1 TYR 53 HE1 TYR 53 4.261 23.478 8.982 335 HE2 TYR 53 HE2 TYR 53 4.144 19.224 8.704 336 HH TYR 53 HH TYR 53 3.049 22.071 7.338 337 H LYS 54 HN LYS 54 10.567 23.265 12.136 338 HA LYS 54 HA LYS 54 12.407 21.097 11.932 339 HB2 LYS 54 HB2 LYS 54 14.053 22.380 12.982 340 HB3 LYS 54 HB1 LYS 54 13.237 23.408 11.822 341 HG2 LYS 54 HG2 LYS 54 13.793 24.674 13.687 342 HG3 LYS 54 HG1 LYS 54 12.022 24.435 13.728 343 HD2 LYS 54 HD2 LYS 54 12.294 22.863 15.543 344 HD3 LYS 54 HD1 LYS 54 14.045 22.889 15.365 345 HE2 LYS 54 HE2 LYS 54 12.363 25.265 16.173 346 HE3 LYS 54 HE1 LYS 54 13.219 24.212 17.297 347 HZ1 LYS 54 HZ1 LYS 54 14.492 25.907 15.192 348 HZ2 LYS 54 HZ2 LYS 54 15.278 24.788 16.165 349 HZ3 LYS 54 HZ3 LYS 54 14.556 26.129 16.874 350 H VAL 55 HN VAL 55 13.413 20.181 13.660 351 HA VAL 55 HA VAL 55 11.808 19.786 16.085 352 HB VAL 55 HB VAL 55 12.469 17.529 14.180 353 HG11 VAL 55 HG11 VAL 55 11.136 17.434 16.870 354 HG12 VAL 55 HG12 VAL 55 12.753 16.865 16.470 355 HG13 VAL 55 HG13 VAL 55 11.346 16.066 15.763 356 HG21 VAL 55 HG21 VAL 55 9.785 18.595 15.030 357 HG22 VAL 55 HG22 VAL 55 10.064 17.172 14.010 358 HG23 VAL 55 HG23 VAL 55 10.532 18.780 13.442 359 H PHE 56 HN PHE 56 13.214 19.621 17.777 360 HA PHE 56 HA PHE 56 15.967 18.841 17.204 361 HB2 PHE 56 HB2 PHE 56 15.773 20.976 18.361 362 HB3 PHE 56 HB1 PHE 56 14.723 20.240 19.583 363 HD1 PHE 56 HD2 PHE 56 18.126 19.956 18.116 364 HD2 PHE 56 HD1 PHE 56 15.652 19.410 21.527 365 HE1 PHE 56 HE2 PHE 56 20.087 19.341 19.417 366 HE2 PHE 56 HE1 PHE 56 17.596 18.783 22.857 367 HZ PHE 56 HZ PHE 56 19.848 18.744 21.815 368 H VAL 57 HN VAL 57 16.447 16.843 17.545 369 HA VAL 57 HA VAL 57 14.885 15.292 19.459 370 HB VAL 57 HB VAL 57 16.985 14.349 17.482 371 HG11 VAL 57 HG11 VAL 57 16.754 12.897 19.451 372 HG12 VAL 57 HG12 VAL 57 16.134 12.093 18.014 373 HG13 VAL 57 HG13 VAL 57 15.021 12.800 19.185 374 HG21 VAL 57 HG21 VAL 57 13.988 14.216 17.369 375 HG22 VAL 57 HG22 VAL 57 15.084 13.451 16.217 376 HG23 VAL 57 HG23 VAL 57 15.020 15.218 16.347 377 H ASN 58 HN ASN 58 15.632 15.162 21.402 378 HA ASN 58 HA ASN 58 18.306 15.949 22.015 379 HB2 ASN 58 HB2 ASN 58 16.496 16.738 23.368 380 HB3 ASN 58 HB1 ASN 58 15.932 15.090 23.726 381 HD21 ASN 58 HD21 ASN 58 16.836 14.100 25.507 382 HD22 ASN 58 HD22 ASN 58 18.104 14.810 26.441 383 H GLU 59 HN GLU 59 19.360 14.403 23.752 384 HA GLU 59 HA GLU 59 20.146 12.161 22.170 385 HB2 GLU 59 HB2 GLU 59 21.755 11.566 23.836 386 HB3 GLU 59 HB1 GLU 59 21.770 13.302 23.601 387 HG2 GLU 59 HG2 GLU 59 20.295 11.958 25.804 388 HG3 GLU 59 HG1 GLU 59 21.970 12.458 25.992 389 H ALA 60 HN ALA 60 17.760 12.455 24.448 390 HA ALA 60 HA ALA 60 17.643 9.681 25.151 391 HB1 ALA 60 HB1 ALA 60 15.519 10.158 26.205 392 HB2 ALA 60 HB2 ALA 60 15.506 11.769 25.482 393 HB3 ALA 60 HB3 ALA 60 16.739 11.342 26.691 394 H CYS 61 HN CYS 61 17.123 11.255 22.394 395 HA CYS 61 HA CYS 61 16.293 10.747 20.410 396 HB2 CYS 61 HB2 CYS 61 15.658 8.113 21.728 397 HB3 CYS 61 HB1 CYS 61 15.561 8.402 19.996 398 H HIS 62 HN HIS 62 14.951 12.038 22.219 399 HA HIS 62 HA HIS 62 12.201 11.504 21.345 400 HB2 HIS 62 HB2 HIS 62 12.636 11.278 23.860 401 HB3 HIS 62 HB1 HIS 62 12.855 13.026 23.874 402 HD1 HIS 62 HD1 HIS 62 10.775 13.942 24.955 403 HD2 HIS 62 HD2 HIS 62 9.956 10.904 22.245 404 HE1 HIS 62 HE1 HIS 62 8.266 13.800 24.788 405 HA PRO 63 HA PRO 63 12.825 15.341 19.186 406 HB2 PRO 63 HB2 PRO 63 10.707 15.167 17.636 407 HB3 PRO 63 HB1 PRO 63 11.988 13.941 17.490 408 HG2 PRO 63 HG2 PRO 63 9.394 13.760 18.942 409 HG3 PRO 63 HG1 PRO 63 10.138 12.587 17.831 410 HD2 PRO 63 HD2 PRO 63 10.349 12.337 20.516 411 HD3 PRO 63 HD1 PRO 63 11.604 11.827 19.377 412 H TYR 64 HN TYR 64 12.247 17.378 19.421 413 HA TYR 64 HA TYR 64 9.552 17.994 20.261 414 HB2 TYR 64 HB2 TYR 64 12.048 19.195 21.383 415 HB3 TYR 64 HB1 TYR 64 10.528 20.112 21.367 416 HD1 TYR 64 HD2 TYR 64 8.592 19.303 22.555 417 HD2 TYR 64 HD1 TYR 64 12.327 17.389 22.752 418 HE1 TYR 64 HE2 TYR 64 7.807 18.054 24.557 419 HE2 TYR 64 HE1 TYR 64 11.599 16.095 24.769 420 HH TYR 64 HH TYR 64 9.920 16.344 26.550 421 HA PRO 65 HA PRO 65 8.261 19.495 20.466 422 HB2 PRO 65 HB2 PRO 65 6.082 20.186 19.040 423 HB3 PRO 65 HB1 PRO 65 7.175 21.397 19.748 424 HG2 PRO 65 HG2 PRO 65 6.937 20.473 16.981 425 HG3 PRO 65 HG1 PRO 65 7.349 22.097 17.639 426 HD2 PRO 65 HD2 PRO 65 9.141 20.232 16.588 427 HD3 PRO 65 HD1 PRO 65 9.558 21.621 17.602 428 H VAL 66 HN VAL 66 6.692 17.964 20.831 429 HA VAL 66 HA VAL 66 6.973 15.561 19.302 430 HB VAL 66 HB VAL 66 5.193 16.189 21.673 431 HG11 VAL 66 HG11 VAL 66 5.949 13.521 20.494 432 HG12 VAL 66 HG12 VAL 66 4.349 14.262 20.451 433 HG13 VAL 66 HG13 VAL 66 5.051 13.761 21.992 434 HG21 VAL 66 HG21 VAL 66 7.885 14.841 21.529 435 HG22 VAL 66 HG22 VAL 66 6.926 15.031 22.996 436 HG23 VAL 66 HG23 VAL 66 7.566 16.447 22.160 437 H ILE 67 HN ILE 67 4.540 18.049 19.749 438 HA ILE 67 HA ILE 67 3.061 16.692 17.684 439 HB ILE 67 HB ILE 67 2.055 18.878 19.508 440 HG12 ILE 67 HG12 ILE 67 1.872 16.797 20.613 441 HG13 ILE 67 HG11 ILE 67 0.285 17.253 19.894 442 HG21 ILE 67 HG21 ILE 67 1.157 19.317 17.307 443 HG22 ILE 67 HG22 ILE 67 -0.117 18.684 18.359 444 HG23 ILE 67 HG23 ILE 67 0.643 17.637 17.164 445 HD11 ILE 67 HD11 ILE 67 2.168 15.215 18.779 446 HD12 ILE 67 HD12 ILE 67 0.588 15.666 18.136 447 HD13 ILE 67 HD13 ILE 67 0.707 14.861 19.702 448 H LEU 68 HN LEU 68 3.062 17.343 15.898 449 HA LEU 68 HA LEU 68 4.517 19.766 15.118 450 HB2 LEU 68 HB2 LEU 68 3.278 17.623 13.396 451 HB3 LEU 68 HB1 LEU 68 4.120 19.009 12.753 452 HG LEU 68 HG LEU 68 5.292 16.743 14.351 453 HD11 LEU 68 HD11 LEU 68 6.595 16.414 12.308 454 HD12 LEU 68 HD12 LEU 68 5.734 17.771 11.571 455 HD13 LEU 68 HD13 LEU 68 4.852 16.306 12.000 456 HD21 LEU 68 HD21 LEU 68 7.460 17.873 14.056 457 HD22 LEU 68 HD22 LEU 68 6.372 18.805 15.075 458 HD23 LEU 68 HD23 LEU 68 6.632 19.282 13.396 459 HA PRO 69 HA PRO 69 1.071 22.430 14.453 460 HB2 PRO 69 HB2 PRO 69 1.865 23.103 11.752 461 HB3 PRO 69 HB1 PRO 69 1.866 24.152 13.190 462 HG2 PRO 69 HG2 PRO 69 4.186 23.429 12.173 463 HG3 PRO 69 HG1 PRO 69 3.912 23.381 13.939 464 HD2 PRO 69 HD2 PRO 69 3.732 21.121 11.996 465 HD3 PRO 69 HD1 PRO 69 4.699 21.148 13.472 466 H ASP 70 HN ASP 70 1.576 19.964 12.344 467 HA ASP 70 HA ASP 70 -0.867 20.163 10.839 468 HB2 ASP 70 HB2 ASP 70 1.191 19.309 9.786 469 HB3 ASP 70 HB1 ASP 70 1.244 17.995 10.950 470 H ARG 71 HN ARG 71 -0.004 19.211 13.884 471 HA ARG 71 HA ARG 71 -0.726 17.916 15.539 472 HB2 ARG 71 HB2 ARG 71 -2.906 18.894 15.090 473 HB3 ARG 71 HB1 ARG 71 -3.263 17.611 13.930 474 HG2 ARG 71 HG2 ARG 71 -4.344 16.975 15.996 475 HG3 ARG 71 HG1 ARG 71 -2.872 16.006 15.776 476 HD2 ARG 71 HD2 ARG 71 -1.659 17.566 17.264 477 HD3 ARG 71 HD1 ARG 71 -3.191 18.372 17.601 478 HE ARG 71 HE ARG 71 -3.401 15.607 18.072 479 HH11 ARG 71 HH11 ARG 71 -2.036 18.546 19.550 480 HH12 ARG 71 HH12 ARG 71 -1.959 17.859 21.092 481 HH21 ARG 71 HH21 ARG 71 -3.264 14.719 20.246 482 HH22 ARG 71 HH22 ARG 71 -2.654 15.701 21.503 483 H SER 72 HN SER 72 1.026 16.924 14.384 484 HA SER 72 HA SER 72 0.352 14.141 13.864 485 HB2 SER 72 HB2 SER 72 2.936 15.560 13.160 486 HB3 SER 72 HB1 SER 72 2.379 13.957 12.638 487 HG SER 72 HG SER 72 0.503 15.660 11.924 488 H VAL 73 HN VAL 73 1.360 12.657 15.073 489 HA VAL 73 HA VAL 73 2.405 13.516 17.651 490 HB VAL 73 HB VAL 73 1.075 11.080 16.525 491 HG11 VAL 73 HG11 VAL 73 2.659 10.992 19.115 492 HG12 VAL 73 HG12 VAL 73 3.070 10.171 17.604 493 HG13 VAL 73 HG13 VAL 73 1.608 9.716 18.455 494 HG21 VAL 73 HG21 VAL 73 -0.265 11.217 18.518 495 HG22 VAL 73 HG22 VAL 73 -0.274 12.728 17.599 496 HG23 VAL 73 HG23 VAL 73 0.696 12.586 19.076 497 H LEU 74 HN LEU 74 4.606 13.676 17.715 498 HA LEU 74 HA LEU 74 6.074 11.783 16.077 499 HB2 LEU 74 HB2 LEU 74 6.742 14.416 17.215 500 HB3 LEU 74 HB1 LEU 74 7.980 13.168 17.344 501 HG LEU 74 HG LEU 74 8.165 12.932 15.037 502 HD11 LEU 74 HD11 LEU 74 6.776 14.137 13.445 503 HD12 LEU 74 HD12 LEU 74 5.755 14.717 14.786 504 HD13 LEU 74 HD13 LEU 74 5.849 12.998 14.417 505 HD21 LEU 74 HD21 LEU 74 9.308 14.843 15.980 506 HD22 LEU 74 HD22 LEU 74 7.883 15.851 15.729 507 HD23 LEU 74 HD23 LEU 74 8.761 15.205 14.345 508 H SER 75 HN SER 75 6.814 10.061 16.799 509 HA SER 75 HA SER 75 7.213 9.888 19.712 510 HB2 SER 75 HB2 SER 75 6.321 7.690 17.835 511 HB3 SER 75 HB1 SER 75 6.670 7.471 19.557 512 HG SER 75 HG SER 75 4.988 9.548 19.002 513 H GLY 76 HN GLY 76 9.232 9.724 20.233 514 HA2 GLY 76 HA2 GLY 76 11.027 8.615 18.211 515 HA3 GLY 76 HA1 GLY 76 11.447 10.014 19.192 516 H ASP 77 HN ASP 77 12.445 7.237 18.833 517 HA ASP 77 HA ASP 77 13.050 6.829 21.651 518 HB2 ASP 77 HB2 ASP 77 11.854 4.665 19.900 519 HB3 ASP 77 HB1 ASP 77 12.784 4.327 21.344 520 H PHE 78 HN PHE 78 14.736 5.060 21.697 521 HA PHE 78 HA PHE 78 16.836 5.893 19.938 522 HB2 PHE 78 HB2 PHE 78 16.513 3.661 21.847 523 HB3 PHE 78 HB1 PHE 78 18.042 3.930 21.006 524 HD1 PHE 78 HD1 PHE 78 15.662 5.222 23.585 525 HD2 PHE 78 HD2 PHE 78 19.565 5.650 21.900 526 HE1 PHE 78 HE1 PHE 78 16.318 6.647 25.451 527 HE2 PHE 78 HE2 PHE 78 20.204 7.077 23.773 528 HZ PHE 78 HZ PHE 78 18.588 7.582 25.555 529 H THR 79 HN THR 79 17.575 4.803 18.066 530 HA THR 79 HA THR 79 15.792 3.114 16.690 531 HB THR 79 HB THR 79 18.639 3.297 16.031 532 HG1 THR 79 HG1 THR 79 18.385 5.365 15.395 533 HG21 THR 79 HG21 THR 79 16.185 3.629 14.361 534 HG22 THR 79 HG22 THR 79 17.026 2.093 14.635 535 HG23 THR 79 HG23 THR 79 17.857 3.423 13.825 536 H SER 80 HN SER 80 18.280 2.461 18.959 537 HA SER 80 HA SER 80 19.192 -0.047 18.110 538 HB2 SER 80 HB2 SER 80 19.666 -0.214 20.659 539 HB3 SER 80 HB1 SER 80 20.543 1.001 19.702 540 HG SER 80 HG SER 80 19.563 2.498 20.748 541 H ALA 81 HN ALA 81 16.333 0.953 19.752 542 HA ALA 81 HA ALA 81 15.631 -1.825 20.165 543 HB1 ALA 81 HB1 ALA 81 15.605 -0.445 22.200 544 HB2 ALA 81 HB2 ALA 81 13.972 -1.003 21.826 545 HB3 ALA 81 HB3 ALA 81 14.455 0.650 21.441 546 H TYR 82 HN TYR 82 15.465 -0.275 17.707 547 HA TYR 82 HA TYR 82 12.675 -0.663 17.058 548 HB2 TYR 82 HB2 TYR 82 14.091 1.855 17.129 549 HB3 TYR 82 HB1 TYR 82 13.111 1.603 15.690 550 HD1 TYR 82 HD2 TYR 82 12.958 1.577 19.408 551 HD2 TYR 82 HD1 TYR 82 10.875 2.156 15.765 552 HE1 TYR 82 HE2 TYR 82 11.031 2.406 20.651 553 HE2 TYR 82 HE1 TYR 82 8.922 3.003 16.989 554 HH TYR 82 HH TYR 82 9.142 3.959 20.200 555 H ALA 83 HN ALA 83 12.514 0.271 14.607 556 HA ALA 83 HA ALA 83 12.937 0.245 12.500 557 HB1 ALA 83 HB1 ALA 83 15.095 1.192 13.001 558 HB2 ALA 83 HB2 ALA 83 15.100 0.175 11.554 559 HB3 ALA 83 HB3 ALA 83 15.787 -0.436 13.081 560 H ASP 84 HN ASP 84 11.900 -1.112 11.512 561 HA ASP 84 HA ASP 84 12.018 -3.886 12.004 562 HB2 ASP 84 HB2 ASP 84 10.338 -4.110 10.229 563 HB3 ASP 84 HB1 ASP 84 9.915 -2.840 11.359 564 H ASP 85 HN ASP 85 13.240 -1.815 9.418 565 HA ASP 85 HA ASP 85 14.725 -4.144 8.415 566 HB2 ASP 85 HB2 ASP 85 13.578 -2.477 6.771 567 HB3 ASP 85 HB1 ASP 85 14.859 -1.361 7.225 568 H ASP 86 HN ASP 86 16.048 -4.337 10.096 569 HA ASP 86 HA ASP 86 17.607 -2.070 11.082 570 HB2 ASP 86 HB2 ASP 86 16.510 -3.572 12.684 571 HB3 ASP 86 HB1 ASP 86 17.347 -4.948 11.992 572 H GLU 87 HN GLU 87 19.887 -2.014 10.881 573 HA GLU 87 HA GLU 87 20.885 -3.503 8.646 574 HB2 GLU 87 HB2 GLU 87 22.930 -2.179 8.937 575 HB3 GLU 87 HB1 GLU 87 21.477 -1.176 8.833 576 HG2 GLU 87 HG2 GLU 87 21.489 -1.020 11.267 577 HG3 GLU 87 HG1 GLU 87 23.032 -1.877 11.307 578 H SER 88 HN SER 88 23.251 -4.446 8.887 579 HA SER 88 HA SER 88 23.169 -6.738 10.324 580 HB2 SER 88 HB2 SER 88 25.680 -5.186 9.673 581 HB3 SER 88 HB1 SER 88 25.478 -6.943 9.716 582 HG SER 88 HG SER 88 25.425 -6.181 7.593 583 H CYS 89 HN CYS 89 25.111 -3.879 11.172 584 HA CYS 89 HA CYS 89 24.358 -3.143 13.546 585 HB2 CYS 89 HB2 CYS 89 24.917 -5.535 14.385 586 HB3 CYS 89 HB1 CYS 89 26.593 -5.162 14.000 587 HG CYS 89 HG CYS 89 24.660 -3.954 16.514 Start of MODEL 16 1 H GLY 11 HT1 GLY 11 4.362 -1.442 -3.991 2 HA2 GLY 11 HA1 GLY 11 3.755 -3.219 -5.427 3 HA3 GLY 11 HA2 GLY 11 5.407 -3.836 -5.361 4 H ARG 12 HN ARG 12 6.213 -4.534 -3.303 5 HA ARG 12 HA ARG 12 4.256 -5.097 -1.209 6 HB2 ARG 12 HB2 ARG 12 4.544 -7.099 -2.682 7 HB3 ARG 12 HB1 ARG 12 6.274 -7.020 -2.417 8 HG2 ARG 12 HG2 ARG 12 5.920 -7.497 -0.039 9 HG3 ARG 12 HG1 ARG 12 4.180 -7.595 -0.331 10 HD2 ARG 12 HD2 ARG 12 5.153 -9.822 -0.307 11 HD3 ARG 12 HD1 ARG 12 4.565 -9.418 -1.923 12 HE ARG 12 HE ARG 12 7.374 -9.160 -1.137 13 HH11 ARG 12 HH11 ARG 12 4.949 -10.439 -3.393 14 HH12 ARG 12 HH12 ARG 12 6.102 -10.958 -4.536 15 HH21 ARG 12 HH21 ARG 12 8.944 -9.901 -2.748 16 HH22 ARG 12 HH22 ARG 12 8.369 -10.609 -4.182 17 H GLU 13 HN GLU 13 5.415 -5.183 0.903 18 HA GLU 13 HA GLU 13 7.913 -3.700 0.712 19 HB2 GLU 13 HB2 GLU 13 6.101 -4.156 3.089 20 HB3 GLU 13 HB1 GLU 13 7.548 -3.157 3.099 21 HG2 GLU 13 HG2 GLU 13 6.483 -1.721 1.359 22 HG3 GLU 13 HG1 GLU 13 5.018 -2.679 1.543 23 H ASN 14 HN ASN 14 9.166 -4.238 2.994 24 HA ASN 14 HA ASN 14 10.494 -5.588 4.163 25 HB2 ASN 14 HB2 ASN 14 8.672 -7.175 4.610 26 HB3 ASN 14 HB1 ASN 14 8.890 -7.907 3.029 27 HD21 ASN 14 HD21 ASN 14 9.202 -9.948 4.000 28 HD22 ASN 14 HD22 ASN 14 10.669 -10.346 4.809 29 H LEU 15 HN LEU 15 9.973 -7.557 1.303 30 HA LEU 15 HA LEU 15 11.283 -8.215 -0.411 31 HB2 LEU 15 HB2 LEU 15 12.528 -5.512 0.023 32 HB3 LEU 15 HB1 LEU 15 12.745 -6.490 -1.408 33 HG LEU 15 HG LEU 15 10.128 -5.308 -0.467 34 HD11 LEU 15 HD11 LEU 15 11.641 -3.616 -1.305 35 HD12 LEU 15 HD12 LEU 15 10.311 -3.881 -2.432 36 HD13 LEU 15 HD13 LEU 15 11.902 -4.555 -2.775 37 HD21 LEU 15 HD21 LEU 15 9.783 -7.423 -1.640 38 HD22 LEU 15 HD22 LEU 15 10.771 -6.848 -2.983 39 HD23 LEU 15 HD23 LEU 15 9.240 -6.062 -2.617 40 H TYR 16 HN TYR 16 13.632 -8.300 -1.265 41 HA TYR 16 HA TYR 16 14.956 -9.896 0.733 42 HB2 TYR 16 HB2 TYR 16 14.724 -10.793 -1.548 43 HB3 TYR 16 HB1 TYR 16 15.608 -9.420 -2.186 44 HD1 TYR 16 HD1 TYR 16 15.907 -12.523 -0.201 45 HD2 TYR 16 HD2 TYR 16 17.993 -9.386 -2.164 46 HE1 TYR 16 HE1 TYR 16 18.003 -13.795 -0.007 47 HE2 TYR 16 HE2 TYR 16 20.084 -10.640 -1.962 48 HH TYR 16 HH TYR 16 21.050 -12.346 -0.684 49 H PHE 17 HN PHE 17 15.494 -8.217 2.091 50 HA PHE 17 HA PHE 17 17.600 -6.480 1.100 51 HB2 PHE 17 HB2 PHE 17 17.513 -5.247 3.219 52 HB3 PHE 17 HB1 PHE 17 15.948 -5.357 2.451 53 HD1 PHE 17 HD1 PHE 17 14.345 -7.205 3.400 54 HD2 PHE 17 HD2 PHE 17 17.763 -5.708 5.441 55 HE1 PHE 17 HE1 PHE 17 13.397 -7.955 5.539 56 HE2 PHE 17 HE2 PHE 17 16.824 -6.465 7.573 57 HZ PHE 17 HZ PHE 17 14.640 -7.590 7.631 58 H GLN 18 HN GLN 18 19.406 -7.533 0.807 59 HA GLN 18 HA GLN 18 20.462 -9.129 3.012 60 HB2 GLN 18 HB2 GLN 18 20.597 -10.058 0.694 61 HB3 GLN 18 HB1 GLN 18 21.567 -8.674 0.226 62 HG2 GLN 18 HG2 GLN 18 23.328 -9.371 1.761 63 HG3 GLN 18 HG1 GLN 18 22.351 -10.758 2.250 64 HE21 GLN 18 HE21 GLN 18 25.003 -10.671 0.938 65 HE22 GLN 18 HE22 GLN 18 24.800 -11.598 -0.494 66 H GLY 19 HN GLY 19 21.044 -7.675 4.472 67 HA2 GLY 19 HA2 GLY 19 23.193 -6.409 4.975 68 HA3 GLY 19 HA1 GLY 19 22.675 -5.386 3.624 69 H HIS 20 HN HIS 20 22.685 -3.691 5.399 70 HA HIS 20 HA HIS 20 20.025 -3.632 6.608 71 HB2 HIS 20 HB2 HIS 20 22.560 -3.034 8.162 72 HB3 HIS 20 HB1 HIS 20 20.920 -2.820 8.755 73 HD1 HIS 20 HD1 HIS 20 23.622 -5.062 9.194 74 HD2 HIS 20 HD2 HIS 20 19.562 -5.555 8.539 75 HE1 HIS 20 HE1 HIS 20 23.081 -7.362 9.984 76 H MET 21 HN MET 21 19.159 -1.623 6.709 77 HA MET 21 HA MET 21 20.263 0.527 5.207 78 HB2 MET 21 HB2 MET 21 17.800 0.098 5.561 79 HB3 MET 21 HB1 MET 21 18.036 0.533 7.243 80 HG2 MET 21 HG2 MET 21 17.020 2.359 6.051 81 HG3 MET 21 HG1 MET 21 18.644 2.802 6.570 82 HE1 MET 21 HE1 MET 21 18.573 4.891 4.912 83 HE2 MET 21 HE2 MET 21 16.953 4.424 4.393 84 HE3 MET 21 HE3 MET 21 18.200 4.753 3.193 85 H ALA 22 HN ALA 22 21.094 2.539 6.063 86 HA ALA 22 HA ALA 22 22.308 2.224 8.673 87 HB1 ALA 22 HB1 ALA 22 23.641 3.102 6.806 88 HB2 ALA 22 HB2 ALA 22 23.540 4.250 8.141 89 HB3 ALA 22 HB3 ALA 22 22.554 4.491 6.696 90 H TRP 23 HN TRP 23 20.833 2.528 10.292 91 HA TRP 23 HA TRP 23 19.184 4.892 10.153 92 HB2 TRP 23 HB2 TRP 23 19.097 2.577 12.139 93 HB3 TRP 23 HB1 TRP 23 18.055 3.969 12.050 94 HD1 TRP 23 HD1 TRP 23 18.859 1.048 9.803 95 HE1 TRP 23 HE1 TRP 23 16.641 0.548 8.402 96 HE3 TRP 23 HE3 TRP 23 16.124 4.719 11.595 97 HZ2 TRP 23 HZ2 TRP 23 14.031 1.808 8.205 98 HZ3 TRP 23 HZ3 TRP 23 13.798 5.068 10.842 99 HH2 TRP 23 HH2 TRP 23 12.801 3.602 9.161 100 H LYS 24 HN LYS 24 19.102 6.247 11.996 101 HA LYS 24 HA LYS 24 21.767 6.826 13.077 102 HB2 LYS 24 HB2 LYS 24 19.240 8.432 13.202 103 HB3 LYS 24 HB1 LYS 24 20.871 8.964 13.575 104 HG2 LYS 24 HG2 LYS 24 19.927 8.168 10.823 105 HG3 LYS 24 HG1 LYS 24 19.990 9.813 11.429 106 HD2 LYS 24 HD2 LYS 24 21.937 9.618 10.170 107 HD3 LYS 24 HD1 LYS 24 22.461 9.368 11.841 108 HE2 LYS 24 HE2 LYS 24 22.609 6.945 11.416 109 HE3 LYS 24 HE1 LYS 24 22.008 7.200 9.783 110 HZ1 LYS 24 HZ1 LYS 24 24.427 6.935 9.903 111 HZ2 LYS 24 HZ2 LYS 24 24.563 8.345 10.814 112 HZ3 LYS 24 HZ3 LYS 24 23.991 8.410 9.246 113 H ASP 25 HN ASP 25 21.190 8.216 15.243 114 HA ASP 25 HA ASP 25 21.306 6.049 17.064 115 HB2 ASP 25 HB2 ASP 25 21.403 8.958 17.336 116 HB3 ASP 25 HB1 ASP 25 21.413 8.025 18.828 117 H CYS 26 HN CYS 26 18.897 8.306 16.226 118 HA CYS 26 HA CYS 26 16.973 7.156 18.171 119 HB2 CYS 26 HB2 CYS 26 17.257 9.996 17.307 120 HB3 CYS 26 HB1 CYS 26 16.042 9.390 18.426 121 H ILE 27 HN ILE 27 14.944 6.966 17.424 122 HA ILE 27 HA ILE 27 14.712 7.348 14.535 123 HB ILE 27 HB ILE 27 14.938 4.999 15.387 124 HG12 ILE 27 HG12 ILE 27 12.248 5.201 14.115 125 HG13 ILE 27 HG11 ILE 27 13.637 5.792 13.205 126 HG21 ILE 27 HG21 ILE 27 13.001 3.901 16.318 127 HG22 ILE 27 HG22 ILE 27 12.214 5.481 16.474 128 HG23 ILE 27 HG23 ILE 27 13.695 5.135 17.386 129 HD11 ILE 27 HD11 ILE 27 13.056 3.417 12.749 130 HD12 ILE 27 HD12 ILE 27 13.540 3.056 14.439 131 HD13 ILE 27 HD13 ILE 27 14.686 3.727 13.299 132 H ILE 28 HN ILE 28 12.903 8.351 13.775 133 HA ILE 28 HA ILE 28 11.129 9.320 15.884 134 HB ILE 28 HB ILE 28 12.176 10.928 13.541 135 HG12 ILE 28 HG12 ILE 28 14.033 10.660 15.031 136 HG13 ILE 28 HG11 ILE 28 13.424 12.296 15.212 137 HG21 ILE 28 HG21 ILE 28 10.001 11.637 14.153 138 HG22 ILE 28 HG22 ILE 28 11.171 12.869 14.627 139 HG23 ILE 28 HG23 ILE 28 10.469 11.790 15.846 140 HD11 ILE 28 HD11 ILE 28 12.333 11.607 17.336 141 HD12 ILE 28 HD12 ILE 28 14.080 11.348 17.343 142 HD13 ILE 28 HD13 ILE 28 13.005 9.991 17.103 143 H GLN 29 HN GLN 29 9.208 8.545 15.338 144 HA GLN 29 HA GLN 29 8.597 8.040 12.520 145 HB2 GLN 29 HB2 GLN 29 7.559 6.863 15.073 146 HB3 GLN 29 HB1 GLN 29 6.753 6.590 13.538 147 HG2 GLN 29 HG2 GLN 29 8.846 5.538 12.705 148 HG3 GLN 29 HG1 GLN 29 9.595 5.882 14.252 149 HE21 GLN 29 HE21 GLN 29 7.318 5.195 15.893 150 HE22 GLN 29 HE22 GLN 29 7.162 3.486 15.809 151 H ARG 30 HN ARG 30 6.948 9.074 11.536 152 HA ARG 30 HA ARG 30 5.717 11.253 13.040 153 HB2 ARG 30 HB2 ARG 30 6.862 11.431 10.675 154 HB3 ARG 30 HB1 ARG 30 5.374 10.681 10.103 155 HG2 ARG 30 HG2 ARG 30 4.109 12.498 11.182 156 HG3 ARG 30 HG1 ARG 30 5.660 13.258 11.569 157 HD2 ARG 30 HD2 ARG 30 4.877 14.375 9.622 158 HD3 ARG 30 HD1 ARG 30 6.156 13.275 9.109 159 HE ARG 30 HE ARG 30 4.000 11.795 8.623 160 HH11 ARG 30 HH11 ARG 30 4.863 15.103 7.627 161 HH12 ARG 30 HH12 ARG 30 3.734 15.142 6.372 162 HH21 ARG 30 HH21 ARG 30 2.532 11.879 6.747 163 HH22 ARG 30 HH22 ARG 30 2.353 13.345 5.927 164 H TYR 31 HN TYR 31 3.901 10.578 14.018 165 HA TYR 31 HA TYR 31 2.232 8.553 12.797 166 HB2 TYR 31 HB2 TYR 31 2.478 9.736 15.479 167 HB3 TYR 31 HB1 TYR 31 0.939 8.993 15.028 168 HD1 TYR 31 HD1 TYR 31 4.613 8.251 14.955 169 HD2 TYR 31 HD2 TYR 31 0.687 6.843 15.706 170 HE1 TYR 31 HE1 TYR 31 5.531 6.123 15.701 171 HE2 TYR 31 HE2 TYR 31 1.563 4.712 16.454 172 HH TYR 31 HH TYR 31 4.850 4.194 17.152 173 H LYS 32 HN LYS 32 0.755 9.367 11.428 174 HA LYS 32 HA LYS 32 0.067 12.126 11.795 175 HB2 LYS 32 HB2 LYS 32 0.806 11.097 9.584 176 HB3 LYS 32 HB1 LYS 32 -0.805 10.369 9.608 177 HG2 LYS 32 HG2 LYS 32 -0.350 13.303 9.817 178 HG3 LYS 32 HG1 LYS 32 -0.458 12.435 8.267 179 HD2 LYS 32 HD2 LYS 32 -2.715 11.757 8.709 180 HD3 LYS 32 HD1 LYS 32 -2.616 12.318 10.375 181 HE2 LYS 32 HE2 LYS 32 -2.455 14.123 7.965 182 HE3 LYS 32 HE1 LYS 32 -3.945 13.775 8.843 183 HZ1 LYS 32 HZ1 LYS 32 -1.535 15.167 9.945 184 HZ2 LYS 32 HZ2 LYS 32 -2.889 14.660 10.844 185 HZ3 LYS 32 HZ3 LYS 32 -3.066 15.811 9.660 186 H ASP 33 HN ASP 33 -1.449 12.457 13.032 187 HA ASP 33 HA ASP 33 -3.180 12.237 14.411 188 HB2 ASP 33 HB2 ASP 33 -4.231 11.484 11.803 189 HB3 ASP 33 HB1 ASP 33 -5.330 11.367 13.179 190 H GLY 34 HN GLY 34 -1.460 10.258 14.820 191 HA2 GLY 34 HA2 GLY 34 -1.645 8.716 16.584 192 HA3 GLY 34 HA1 GLY 34 -3.296 8.399 16.038 193 H ASP 35 HN ASP 35 -1.983 8.076 13.132 194 HA ASP 35 HA ASP 35 -1.107 5.367 13.723 195 HB2 ASP 35 HB2 ASP 35 -1.673 4.763 11.478 196 HB3 ASP 35 HB1 ASP 35 -3.111 5.213 12.367 197 H VAL 36 HN VAL 36 0.528 4.594 12.422 198 HA VAL 36 HA VAL 36 2.374 6.787 12.182 199 HB VAL 36 HB VAL 36 3.249 4.950 13.416 200 HG11 VAL 36 HG11 VAL 36 2.062 3.133 12.460 201 HG12 VAL 36 HG12 VAL 36 3.795 2.792 12.400 202 HG13 VAL 36 HG13 VAL 36 2.929 3.311 10.937 203 HG21 VAL 36 HG21 VAL 36 4.679 5.288 10.798 204 HG22 VAL 36 HG22 VAL 36 5.404 4.674 12.298 205 HG23 VAL 36 HG23 VAL 36 4.799 6.331 12.211 206 H ASN 37 HN ASN 37 2.798 7.835 10.551 207 HA ASN 37 HA ASN 37 1.757 6.986 7.964 208 HB2 ASN 37 HB2 ASN 37 0.960 9.093 8.901 209 HB3 ASN 37 HB1 ASN 37 2.635 9.613 8.993 210 HD21 ASN 37 HD21 ASN 37 -0.093 9.082 6.906 211 HD22 ASN 37 HD22 ASN 37 0.556 9.908 5.547 212 H ASN 38 HN ASN 38 4.578 8.804 9.215 213 HA ASN 38 HA ASN 38 6.158 7.641 7.090 214 HB2 ASN 38 HB2 ASN 38 6.348 10.386 8.283 215 HB3 ASN 38 HB1 ASN 38 7.621 9.667 7.312 216 HD21 ASN 38 HD21 ASN 38 6.247 12.106 6.669 217 HD22 ASN 38 HD22 ASN 38 5.387 11.834 5.198 218 H ILE 39 HN ILE 39 8.424 7.454 7.600 219 HA ILE 39 HA ILE 39 8.985 7.219 10.465 220 HB ILE 39 HB ILE 39 9.702 5.247 8.271 221 HG12 ILE 39 HG12 ILE 39 8.740 3.540 9.901 222 HG13 ILE 39 HG11 ILE 39 8.108 4.897 10.812 223 HG21 ILE 39 HG21 ILE 39 11.690 5.514 9.566 224 HG22 ILE 39 HG22 ILE 39 10.957 3.954 9.924 225 HG23 ILE 39 HG23 ILE 39 10.800 5.276 11.072 226 HD11 ILE 39 HD11 ILE 39 6.400 3.894 9.432 227 HD12 ILE 39 HD12 ILE 39 7.383 4.136 7.990 228 HD13 ILE 39 HD13 ILE 39 6.748 5.528 8.869 229 H TYR 40 HN TYR 40 10.678 8.459 11.047 230 HA TYR 40 HA TYR 40 12.712 9.150 9.055 231 HB2 TYR 40 HB2 TYR 40 11.910 10.978 11.384 232 HB3 TYR 40 HB1 TYR 40 12.935 11.321 10.032 233 HD1 TYR 40 HD1 TYR 40 11.637 10.953 7.623 234 HD2 TYR 40 HD2 TYR 40 9.830 12.076 11.322 235 HE1 TYR 40 HE1 TYR 40 9.780 11.999 6.406 236 HE2 TYR 40 HE2 TYR 40 7.993 13.114 10.113 237 HH TYR 40 HH TYR 40 7.551 14.119 7.731 238 H THR 41 HN THR 41 14.780 9.796 10.332 239 HA THR 41 HA THR 41 14.942 8.780 12.966 240 HB THR 41 HB THR 41 15.372 6.734 12.166 241 HG1 THR 41 HG1 THR 41 17.030 7.302 13.518 242 HG21 THR 41 HG21 THR 41 17.012 7.827 9.835 243 HG22 THR 41 HG22 THR 41 15.406 7.058 9.807 244 HG23 THR 41 HG23 THR 41 16.794 6.120 10.239 245 H ALA 42 HN ALA 42 16.680 9.539 14.098 246 HA ALA 42 HA ALA 42 18.196 11.707 12.833 247 HB1 ALA 42 HB1 ALA 42 17.535 13.246 14.611 248 HB2 ALA 42 HB2 ALA 42 16.491 12.010 15.302 249 HB3 ALA 42 HB3 ALA 42 16.116 12.691 13.720 250 H ASN 43 HN ASN 43 19.943 12.378 14.130 251 HA ASN 43 HA ASN 43 21.097 10.353 15.819 252 HB2 ASN 43 HB2 ASN 43 22.007 13.180 15.219 253 HB3 ASN 43 HB1 ASN 43 22.921 12.018 16.162 254 HD21 ASN 43 HD21 ASN 43 23.598 13.403 13.675 255 HD22 ASN 43 HD22 ASN 43 23.940 12.158 12.538 256 H ARG 44 HN ARG 44 21.681 10.674 18.062 257 HA ARG 44 HA ARG 44 19.864 12.044 19.670 258 HB2 ARG 44 HB2 ARG 44 21.898 11.691 21.361 259 HB3 ARG 44 HB1 ARG 44 20.854 10.372 20.836 260 HG2 ARG 44 HG2 ARG 44 22.472 9.647 19.276 261 HG3 ARG 44 HG1 ARG 44 23.508 11.010 19.553 262 HD2 ARG 44 HD2 ARG 44 23.840 10.211 21.878 263 HD3 ARG 44 HD1 ARG 44 22.796 8.830 21.508 264 HE ARG 44 HE ARG 44 24.396 8.338 19.679 265 HH11 ARG 44 HH11 ARG 44 25.447 9.633 22.779 266 HH12 ARG 44 HH12 ARG 44 27.103 9.363 22.521 267 HH21 ARG 44 HH21 ARG 44 26.648 7.969 19.277 268 HH22 ARG 44 HH22 ARG 44 27.811 8.382 20.447 269 H ASN 45 HN ASN 45 19.642 14.091 19.748 270 HA ASN 45 HA ASN 45 19.950 16.223 19.936 271 HB2 ASN 45 HB2 ASN 45 22.809 15.629 20.392 272 HB3 ASN 45 HB1 ASN 45 22.105 17.270 20.434 273 HD21 ASN 45 HD21 ASN 45 23.283 15.318 22.553 274 HD22 ASN 45 HD22 ASN 45 22.087 15.387 23.803 275 H GLU 46 HN GLU 46 19.158 15.874 17.899 276 HA GLU 46 HA GLU 46 20.710 17.240 15.946 277 HB2 GLU 46 HB2 GLU 46 21.189 15.039 15.249 278 HB3 GLU 46 HB1 GLU 46 19.529 14.500 15.523 279 HG2 GLU 46 HG2 GLU 46 18.735 15.752 13.689 280 HG3 GLU 46 HG1 GLU 46 20.275 16.597 13.577 281 H GLU 47 HN GLU 47 19.539 18.824 15.242 282 HA GLU 47 HA GLU 47 16.679 18.694 15.398 283 HB2 GLU 47 HB2 GLU 47 17.809 20.731 16.107 284 HB3 GLU 47 HB1 GLU 47 18.574 20.878 14.526 285 HG2 GLU 47 HG2 GLU 47 16.381 21.267 13.537 286 HG3 GLU 47 HG1 GLU 47 15.640 21.125 15.134 287 H ILE 48 HN ILE 48 15.720 17.666 13.903 288 HA ILE 48 HA ILE 48 16.757 17.509 11.219 289 HB ILE 48 HB ILE 48 14.813 15.979 10.841 290 HG12 ILE 48 HG12 ILE 48 14.349 16.393 13.799 291 HG13 ILE 48 HG11 ILE 48 13.283 16.775 12.453 292 HG21 ILE 48 HG21 ILE 48 16.665 15.110 13.044 293 HG22 ILE 48 HG22 ILE 48 16.938 14.978 11.293 294 HG23 ILE 48 HG23 ILE 48 15.651 14.062 12.058 295 HD11 ILE 48 HD11 ILE 48 12.573 14.772 13.641 296 HD12 ILE 48 HD12 ILE 48 14.112 13.995 13.207 297 HD13 ILE 48 HD13 ILE 48 12.969 14.470 11.946 298 H THR 49 HN THR 49 14.560 17.474 9.664 299 HA THR 49 HA THR 49 12.873 19.651 10.452 300 HB THR 49 HB THR 49 13.854 19.485 7.698 301 HG1 THR 49 HG1 THR 49 15.332 20.146 9.828 302 HG21 THR 49 HG21 THR 49 13.194 21.869 7.636 303 HG22 THR 49 HG22 THR 49 12.781 21.756 9.348 304 HG23 THR 49 HG23 THR 49 11.875 20.812 8.166 305 H ILE 50 HN ILE 50 10.907 19.262 9.967 306 HA ILE 50 HA ILE 50 10.210 16.929 8.326 307 HB ILE 50 HB ILE 50 9.170 17.685 11.062 308 HG12 ILE 50 HG12 ILE 50 10.472 15.147 10.128 309 HG13 ILE 50 HG11 ILE 50 11.313 16.470 10.937 310 HG21 ILE 50 HG21 ILE 50 8.188 15.499 9.235 311 HG22 ILE 50 HG22 ILE 50 7.295 16.942 9.712 312 HG23 ILE 50 HG23 ILE 50 7.708 15.720 10.917 313 HD11 ILE 50 HD11 ILE 50 9.918 16.201 12.868 314 HD12 ILE 50 HD12 ILE 50 10.675 14.643 12.488 315 HD13 ILE 50 HD13 ILE 50 8.980 14.958 12.061 316 H GLU 51 HN GLU 51 9.111 18.015 6.674 317 HA GLU 51 HA GLU 51 7.604 19.293 5.590 318 HB2 GLU 51 HB2 GLU 51 6.197 18.784 8.196 319 HB3 GLU 51 HB1 GLU 51 5.426 19.728 6.933 320 HG2 GLU 51 HG2 GLU 51 4.740 17.375 6.909 321 HG3 GLU 51 HG1 GLU 51 5.528 17.894 5.420 322 H GLU 52 HN GLU 52 9.658 20.442 6.760 323 HA GLU 52 HA GLU 52 10.733 22.326 7.019 324 HB2 GLU 52 HB2 GLU 52 8.156 23.723 6.404 325 HB3 GLU 52 HB1 GLU 52 9.749 24.476 6.411 326 HG2 GLU 52 HG2 GLU 52 8.721 22.385 4.534 327 HG3 GLU 52 HG1 GLU 52 9.204 24.065 4.245 328 H TYR 53 HN TYR 53 8.756 21.207 9.195 329 HA TYR 53 HA TYR 53 9.116 23.358 11.134 330 HB2 TYR 53 HB2 TYR 53 8.106 20.524 11.575 331 HB3 TYR 53 HB1 TYR 53 7.873 21.906 12.636 332 HD1 TYR 53 HD1 TYR 53 6.672 23.939 11.310 333 HD2 TYR 53 HD2 TYR 53 6.252 19.815 10.430 334 HE1 TYR 53 HE1 TYR 53 4.541 24.411 10.166 335 HE2 TYR 53 HE2 TYR 53 4.132 20.254 9.279 336 HH TYR 53 HH TYR 53 3.207 23.356 8.399 337 H LYS 54 HN LYS 54 11.183 23.437 11.954 338 HA LYS 54 HA LYS 54 12.674 21.019 11.784 339 HB2 LYS 54 HB2 LYS 54 14.578 22.151 12.524 340 HB3 LYS 54 HB1 LYS 54 13.794 23.211 11.355 341 HG2 LYS 54 HG2 LYS 54 13.475 23.454 14.288 342 HG3 LYS 54 HG1 LYS 54 14.825 24.196 13.432 343 HD2 LYS 54 HD2 LYS 54 13.161 25.480 12.074 344 HD3 LYS 54 HD1 LYS 54 11.862 24.749 13.026 345 HE2 LYS 54 HE2 LYS 54 12.411 26.983 13.857 346 HE3 LYS 54 HE1 LYS 54 12.766 25.735 15.044 347 HZ1 LYS 54 HZ1 LYS 54 14.781 27.041 13.287 348 HZ2 LYS 54 HZ2 LYS 54 15.121 25.872 14.438 349 HZ3 LYS 54 HZ3 LYS 54 14.537 27.365 14.918 350 H VAL 55 HN VAL 55 13.466 19.908 13.409 351 HA VAL 55 HA VAL 55 11.937 20.079 15.919 352 HB VAL 55 HB VAL 55 12.149 17.674 14.097 353 HG11 VAL 55 HG11 VAL 55 10.862 17.886 16.806 354 HG12 VAL 55 HG12 VAL 55 12.331 16.993 16.407 355 HG13 VAL 55 HG13 VAL 55 10.780 16.494 15.718 356 HG21 VAL 55 HG21 VAL 55 9.671 17.814 14.048 357 HG22 VAL 55 HG22 VAL 55 10.473 19.216 13.338 358 HG23 VAL 55 HG23 VAL 55 9.783 19.326 14.958 359 H PHE 56 HN PHE 56 13.264 19.825 17.605 360 HA PHE 56 HA PHE 56 15.972 18.846 17.139 361 HB2 PHE 56 HB2 PHE 56 15.731 20.983 18.282 362 HB3 PHE 56 HB1 PHE 56 14.701 20.222 19.505 363 HD1 PHE 56 HD1 PHE 56 18.110 20.173 18.067 364 HD2 PHE 56 HD2 PHE 56 15.636 19.253 21.398 365 HE1 PHE 56 HE1 PHE 56 20.090 19.632 19.363 366 HE2 PHE 56 HE2 PHE 56 17.601 18.703 22.726 367 HZ PHE 56 HZ PHE 56 19.865 18.886 21.721 368 H VAL 57 HN VAL 57 16.380 16.798 17.443 369 HA VAL 57 HA VAL 57 14.796 15.291 19.375 370 HB VAL 57 HB VAL 57 16.950 14.324 17.472 371 HG11 VAL 57 HG11 VAL 57 16.739 12.932 19.489 372 HG12 VAL 57 HG12 VAL 57 16.146 12.062 18.079 373 HG13 VAL 57 HG13 VAL 57 15.010 12.784 19.217 374 HG21 VAL 57 HG21 VAL 57 15.106 13.344 16.226 375 HG22 VAL 57 HG22 VAL 57 14.957 15.111 16.316 376 HG23 VAL 57 HG23 VAL 57 13.964 14.075 17.352 377 H ASN 58 HN ASN 58 15.500 15.211 21.342 378 HA ASN 58 HA ASN 58 18.126 16.011 22.069 379 HB2 ASN 58 HB2 ASN 58 16.275 16.658 23.423 380 HB3 ASN 58 HB1 ASN 58 15.710 14.981 23.596 381 HD21 ASN 58 HD21 ASN 58 16.498 13.810 25.304 382 HD22 ASN 58 HD22 ASN 58 17.711 14.413 26.373 383 H GLU 59 HN GLU 59 19.319 14.575 23.580 384 HA GLU 59 HA GLU 59 20.163 12.333 22.067 385 HB2 GLU 59 HB2 GLU 59 21.856 11.797 23.659 386 HB3 GLU 59 HB1 GLU 59 21.798 13.532 23.435 387 HG2 GLU 59 HG2 GLU 59 20.481 12.114 25.686 388 HG3 GLU 59 HG1 GLU 59 22.147 12.663 25.794 389 H ALA 60 HN ALA 60 17.883 12.469 24.447 390 HA ALA 60 HA ALA 60 18.024 9.654 25.026 391 HB1 ALA 60 HB1 ALA 60 16.082 9.975 26.458 392 HB2 ALA 60 HB2 ALA 60 15.911 11.626 25.863 393 HB3 ALA 60 HB3 ALA 60 17.340 11.166 26.806 394 H CYS 61 HN CYS 61 17.253 11.094 22.387 395 HA CYS 61 HA CYS 61 16.054 10.633 20.508 396 HB2 CYS 61 HB2 CYS 61 15.502 8.040 21.927 397 HB3 CYS 61 HB1 CYS 61 15.305 8.364 20.205 398 H HIS 62 HN HIS 62 14.863 12.425 21.480 399 HA HIS 62 HA HIS 62 12.088 11.759 21.309 400 HB2 HIS 62 HB2 HIS 62 12.739 11.590 23.787 401 HB3 HIS 62 HB1 HIS 62 13.075 13.317 23.708 402 HD1 HIS 62 HD1 HIS 62 11.164 14.277 25.106 403 HD2 HIS 62 HD2 HIS 62 9.897 11.475 22.311 404 HE1 HIS 62 HE1 HIS 62 8.651 14.319 25.156 405 HA PRO 63 HA PRO 63 12.830 15.573 19.091 406 HB2 PRO 63 HB2 PRO 63 10.666 15.491 17.594 407 HB3 PRO 63 HB1 PRO 63 11.910 14.238 17.397 408 HG2 PRO 63 HG2 PRO 63 9.315 14.083 18.832 409 HG3 PRO 63 HG1 PRO 63 10.092 12.897 17.760 410 HD2 PRO 63 HD2 PRO 63 10.224 12.760 20.496 411 HD3 PRO 63 HD1 PRO 63 11.420 12.089 19.358 412 H TYR 64 HN TYR 64 12.134 17.639 19.084 413 HA TYR 64 HA TYR 64 9.580 18.257 20.300 414 HB2 TYR 64 HB2 TYR 64 12.128 19.747 20.813 415 HB3 TYR 64 HB1 TYR 64 10.519 20.405 21.132 416 HD1 TYR 64 HD1 TYR 64 9.059 19.265 22.767 417 HD2 TYR 64 HD2 TYR 64 13.089 18.385 22.135 418 HE1 TYR 64 HE1 TYR 64 9.146 18.222 25.047 419 HE2 TYR 64 HE2 TYR 64 13.277 17.308 24.410 420 HH TYR 64 HH TYR 64 10.562 16.569 26.270 421 HA PRO 65 HA PRO 65 8.201 19.529 20.469 422 HB2 PRO 65 HB2 PRO 65 5.938 20.092 19.155 423 HB3 PRO 65 HB1 PRO 65 6.985 21.369 19.815 424 HG2 PRO 65 HG2 PRO 65 6.779 20.359 17.062 425 HG3 PRO 65 HG1 PRO 65 6.956 22.054 17.701 426 HD2 PRO 65 HD2 PRO 65 9.006 20.561 16.606 427 HD3 PRO 65 HD1 PRO 65 9.205 21.876 17.779 428 H VAL 66 HN VAL 66 6.314 18.043 20.615 429 HA VAL 66 HA VAL 66 6.921 15.658 19.093 430 HB VAL 66 HB VAL 66 5.201 16.083 21.550 431 HG11 VAL 66 HG11 VAL 66 6.074 13.494 20.237 432 HG12 VAL 66 HG12 VAL 66 4.432 14.130 20.230 433 HG13 VAL 66 HG13 VAL 66 5.174 13.629 21.750 434 HG21 VAL 66 HG21 VAL 66 7.558 16.448 21.946 435 HG22 VAL 66 HG22 VAL 66 7.949 14.912 21.201 436 HG23 VAL 66 HG23 VAL 66 7.055 14.944 22.720 437 H ILE 67 HN ILE 67 4.034 17.627 19.911 438 HA ILE 67 HA ILE 67 2.819 16.392 17.634 439 HB ILE 67 HB ILE 67 1.616 17.846 19.924 440 HG12 ILE 67 HG12 ILE 67 -0.180 16.246 19.588 441 HG13 ILE 67 HG11 ILE 67 0.610 15.621 18.158 442 HG21 ILE 67 HG21 ILE 67 -0.475 18.382 18.757 443 HG22 ILE 67 HG22 ILE 67 0.278 17.956 17.224 444 HG23 ILE 67 HG23 ILE 67 0.871 19.339 18.134 445 HD11 ILE 67 HD11 ILE 67 1.656 15.510 20.964 446 HD12 ILE 67 HD12 ILE 67 2.455 14.854 19.515 447 HD13 ILE 67 HD13 ILE 67 0.906 14.189 20.060 448 H LEU 68 HN LEU 68 2.720 17.182 15.808 449 HA LEU 68 HA LEU 68 3.911 19.773 15.265 450 HB2 LEU 68 HB2 LEU 68 2.838 17.630 13.429 451 HB3 LEU 68 HB1 LEU 68 3.535 19.128 12.863 452 HG LEU 68 HG LEU 68 4.938 16.876 14.286 453 HD11 LEU 68 HD11 LEU 68 4.491 16.558 11.933 454 HD12 LEU 68 HD12 LEU 68 6.226 16.835 12.209 455 HD13 LEU 68 HD13 LEU 68 5.206 18.132 11.578 456 HD21 LEU 68 HD21 LEU 68 6.036 19.580 13.487 457 HD22 LEU 68 HD22 LEU 68 6.990 18.209 14.056 458 HD23 LEU 68 HD23 LEU 68 5.842 18.986 15.139 459 HA PRO 69 HA PRO 69 0.261 22.190 14.772 460 HB2 PRO 69 HB2 PRO 69 0.829 22.781 11.975 461 HB3 PRO 69 HB1 PRO 69 0.749 23.926 13.333 462 HG2 PRO 69 HG2 PRO 69 3.094 23.433 12.292 463 HG3 PRO 69 HG1 PRO 69 2.906 23.442 14.067 464 HD2 PRO 69 HD2 PRO 69 2.954 21.108 12.214 465 HD3 PRO 69 HD1 PRO 69 3.921 21.291 13.676 466 H ASP 70 HN ASP 70 0.910 19.859 12.444 467 HA ASP 70 HA ASP 70 -1.646 19.745 11.166 468 HB2 ASP 70 HB2 ASP 70 0.315 19.355 9.848 469 HB3 ASP 70 HB1 ASP 70 0.903 18.147 10.972 470 H ARG 71 HN ARG 71 -0.501 18.740 14.080 471 HA ARG 71 HA ARG 71 -1.205 17.468 15.768 472 HB2 ARG 71 HB2 ARG 71 -3.523 17.954 14.943 473 HB3 ARG 71 HB1 ARG 71 -3.398 16.506 13.953 474 HG2 ARG 71 HG2 ARG 71 -4.636 15.910 15.950 475 HG3 ARG 71 HG1 ARG 71 -2.994 15.229 16.025 476 HD2 ARG 71 HD2 ARG 71 -2.349 17.323 17.328 477 HD3 ARG 71 HD1 ARG 71 -4.079 17.574 17.517 478 HE ARG 71 HE ARG 71 -3.408 14.960 18.254 479 HH11 ARG 71 HH11 ARG 71 -3.207 18.297 19.402 480 HH12 ARG 71 HH12 ARG 71 -2.971 17.874 21.034 481 HH21 ARG 71 HH21 ARG 71 -3.073 14.383 20.525 482 HH22 ARG 71 HH22 ARG 71 -2.907 15.620 21.675 483 H SER 72 HN SER 72 0.243 16.487 13.181 484 HA SER 72 HA SER 72 0.278 13.731 13.701 485 HB2 SER 72 HB2 SER 72 2.358 15.416 12.260 486 HB3 SER 72 HB1 SER 72 2.321 13.643 12.338 487 HG SER 72 HG SER 72 0.603 15.309 10.848 488 H VAL 73 HN VAL 73 1.410 12.571 14.849 489 HA VAL 73 HA VAL 73 2.463 13.536 17.375 490 HB VAL 73 HB VAL 73 1.317 11.034 16.181 491 HG11 VAL 73 HG11 VAL 73 2.786 11.021 18.831 492 HG12 VAL 73 HG12 VAL 73 3.288 10.245 17.322 493 HG13 VAL 73 HG13 VAL 73 1.828 9.697 18.119 494 HG21 VAL 73 HG21 VAL 73 0.659 12.517 18.689 495 HG22 VAL 73 HG22 VAL 73 -0.118 11.039 18.116 496 HG23 VAL 73 HG23 VAL 73 -0.248 12.522 17.164 497 H LEU 74 HN LEU 74 4.670 13.599 17.538 498 HA LEU 74 HA LEU 74 6.065 11.838 15.744 499 HB2 LEU 74 HB2 LEU 74 6.888 14.299 17.156 500 HB3 LEU 74 HB1 LEU 74 8.077 13.019 16.932 501 HG LEU 74 HG LEU 74 8.027 13.144 14.641 502 HD11 LEU 74 HD11 LEU 74 6.458 14.537 13.357 503 HD12 LEU 74 HD12 LEU 74 5.573 14.876 14.870 504 HD13 LEU 74 HD13 LEU 74 5.668 13.235 14.244 505 HD21 LEU 74 HD21 LEU 74 9.243 14.944 15.690 506 HD22 LEU 74 HD22 LEU 74 7.782 15.932 15.751 507 HD23 LEU 74 HD23 LEU 74 8.500 15.520 14.196 508 H SER 75 HN SER 75 6.806 10.105 16.283 509 HA SER 75 HA SER 75 6.901 9.334 19.117 510 HB2 SER 75 HB2 SER 75 5.594 7.871 17.708 511 HB3 SER 75 HB1 SER 75 6.899 7.767 16.542 512 HG SER 75 HG SER 75 6.679 6.607 19.105 513 H GLY 76 HN GLY 76 8.851 9.479 20.034 514 HA2 GLY 76 HA2 GLY 76 11.183 9.172 18.265 515 HA3 GLY 76 HA1 GLY 76 11.100 10.326 19.609 516 H ASP 77 HN ASP 77 12.422 7.488 18.806 517 HA ASP 77 HA ASP 77 12.815 6.889 21.629 518 HB2 ASP 77 HB2 ASP 77 10.682 5.639 20.668 519 HB3 ASP 77 HB1 ASP 77 11.886 4.643 19.864 520 H PHE 78 HN PHE 78 14.388 4.982 21.632 521 HA PHE 78 HA PHE 78 16.582 5.863 19.985 522 HB2 PHE 78 HB2 PHE 78 16.227 3.578 21.829 523 HB3 PHE 78 HB1 PHE 78 17.761 3.857 21.005 524 HD1 PHE 78 HD1 PHE 78 15.382 5.171 23.564 525 HD2 PHE 78 HD2 PHE 78 19.308 5.450 21.914 526 HE1 PHE 78 HE1 PHE 78 16.084 6.558 25.455 527 HE2 PHE 78 HE2 PHE 78 20.000 6.839 23.797 528 HZ PHE 78 HZ PHE 78 18.394 7.399 25.579 529 H THR 79 HN THR 79 17.449 4.811 18.178 530 HA THR 79 HA THR 79 15.732 3.089 16.715 531 HB THR 79 HB THR 79 18.604 3.443 16.189 532 HG1 THR 79 HG1 THR 79 18.237 5.417 15.459 533 HG21 THR 79 HG21 THR 79 16.215 3.357 14.410 534 HG22 THR 79 HG22 THR 79 17.364 2.027 14.690 535 HG23 THR 79 HG23 THR 79 17.894 3.523 13.899 536 H SER 80 HN SER 80 18.219 2.564 19.180 537 HA SER 80 HA SER 80 19.297 0.216 18.665 538 HB2 SER 80 HB2 SER 80 18.398 1.358 21.292 539 HB3 SER 80 HB1 SER 80 19.926 0.614 20.789 540 HG SER 80 HG SER 80 20.644 2.441 20.286 541 H ALA 81 HN ALA 81 15.997 1.025 19.628 542 HA ALA 81 HA ALA 81 15.510 -1.769 20.188 543 HB1 ALA 81 HB1 ALA 81 13.997 0.636 21.229 544 HB2 ALA 81 HB2 ALA 81 15.157 -0.308 22.153 545 HB3 ALA 81 HB3 ALA 81 13.630 -1.039 21.644 546 H TYR 82 HN TYR 82 15.506 -0.157 17.757 547 HA TYR 82 HA TYR 82 12.908 -0.827 16.732 548 HB2 TYR 82 HB2 TYR 82 14.191 1.791 16.794 549 HB3 TYR 82 HB1 TYR 82 13.201 1.414 15.390 550 HD1 TYR 82 HD1 TYR 82 13.180 1.780 19.086 551 HD2 TYR 82 HD2 TYR 82 10.856 1.662 15.539 552 HE1 TYR 82 HE1 TYR 82 11.230 2.560 20.344 553 HE2 TYR 82 HE2 TYR 82 8.882 2.445 16.794 554 HH TYR 82 HH TYR 82 9.148 3.770 19.888 555 H ALA 83 HN ALA 83 13.225 0.107 14.186 556 HA ALA 83 HA ALA 83 13.970 -0.336 12.219 557 HB1 ALA 83 HB1 ALA 83 15.637 1.298 12.817 558 HB2 ALA 83 HB2 ALA 83 16.201 0.117 11.629 559 HB3 ALA 83 HB3 ALA 83 16.728 -0.009 13.328 560 H ASP 84 HN ASP 84 13.258 -2.103 11.950 561 HA ASP 84 HA ASP 84 14.427 -4.476 12.986 562 HB2 ASP 84 HB2 ASP 84 12.459 -5.662 12.143 563 HB3 ASP 84 HB1 ASP 84 12.075 -4.318 13.195 564 H ASP 85 HN ASP 85 15.195 -2.770 10.420 565 HA ASP 85 HA ASP 85 15.791 -4.661 8.423 566 HB2 ASP 85 HB2 ASP 85 17.268 -2.183 9.345 567 HB3 ASP 85 HB1 ASP 85 17.974 -3.244 8.152 568 H ASP 86 HN ASP 86 17.412 -3.666 11.358 569 HA ASP 86 HA ASP 86 19.588 -5.565 11.037 570 HB2 ASP 86 HB2 ASP 86 19.684 -3.174 12.101 571 HB3 ASP 86 HB1 ASP 86 19.020 -3.964 13.521 572 H GLU 87 HN GLU 87 18.807 -7.533 11.241 573 HA GLU 87 HA GLU 87 16.793 -8.219 13.211 574 HB2 GLU 87 HB2 GLU 87 16.931 -8.963 10.754 575 HB3 GLU 87 HB1 GLU 87 18.231 -9.997 11.348 576 HG2 GLU 87 HG2 GLU 87 15.459 -10.149 12.476 577 HG3 GLU 87 HG1 GLU 87 15.882 -11.003 11.006 578 H SER 88 HN SER 88 17.184 -9.255 15.028 579 HA SER 88 HA SER 88 18.097 -10.386 16.692 580 HB2 SER 88 HB2 SER 88 20.577 -10.759 15.000 581 HB3 SER 88 HB1 SER 88 20.260 -11.544 16.547 582 HG SER 88 HG SER 88 18.245 -11.800 14.656 583 H CYS 89 HN CYS 89 18.083 -8.910 18.182 584 HA CYS 89 HA CYS 89 20.387 -7.122 18.437 585 HB2 CYS 89 HB2 CYS 89 17.724 -7.046 19.910 586 HB3 CYS 89 HB1 CYS 89 18.992 -5.837 19.985 587 HG CYS 89 HG CYS 89 18.232 -4.432 18.028 Start of MODEL 17 1 H GLY 11 HT1 GLY 11 3.489 0.492 3.131 2 HA2 GLY 11 HA1 GLY 11 3.926 3.291 2.327 3 HA3 GLY 11 HA2 GLY 11 5.088 2.244 3.138 4 H ARG 12 HN ARG 12 5.187 3.572 0.588 5 HA ARG 12 HA ARG 12 5.644 1.223 -1.148 6 HB2 ARG 12 HB2 ARG 12 5.210 2.688 -3.092 7 HB3 ARG 12 HB1 ARG 12 3.807 2.542 -2.048 8 HG2 ARG 12 HG2 ARG 12 4.411 4.729 -1.032 9 HG3 ARG 12 HG1 ARG 12 5.685 4.883 -2.243 10 HD2 ARG 12 HD2 ARG 12 3.683 6.080 -2.927 11 HD3 ARG 12 HD1 ARG 12 4.008 4.731 -4.017 12 HE ARG 12 HE ARG 12 2.328 3.627 -2.252 13 HH11 ARG 12 HH11 ARG 12 2.089 6.623 -4.105 14 HH12 ARG 12 HH12 ARG 12 0.397 6.590 -4.194 15 HH21 ARG 12 HH21 ARG 12 0.022 3.609 -2.318 16 HH22 ARG 12 HH22 ARG 12 -0.810 4.845 -3.148 17 H GLU 13 HN GLU 13 6.754 3.981 0.423 18 HA GLU 13 HA GLU 13 9.071 4.646 -0.955 19 HB2 GLU 13 HB2 GLU 13 8.661 4.664 2.059 20 HB3 GLU 13 HB1 GLU 13 9.806 5.632 1.154 21 HG2 GLU 13 HG2 GLU 13 8.182 7.184 1.632 22 HG3 GLU 13 HG1 GLU 13 7.664 6.634 0.049 23 H ASN 14 HN ASN 14 8.321 2.394 1.602 24 HA ASN 14 HA ASN 14 9.229 0.481 2.430 25 HB2 ASN 14 HB2 ASN 14 10.461 0.297 -0.345 26 HB3 ASN 14 HB1 ASN 14 10.329 -1.024 0.795 27 HD21 ASN 14 HD21 ASN 14 9.365 -0.750 -1.899 28 HD22 ASN 14 HD22 ASN 14 7.670 -1.011 -1.871 29 H LEU 15 HN LEU 15 11.742 -0.727 1.853 30 HA LEU 15 HA LEU 15 13.660 1.396 2.491 31 HB2 LEU 15 HB2 LEU 15 13.886 -1.510 3.274 32 HB3 LEU 15 HB1 LEU 15 15.020 -0.257 3.626 33 HG LEU 15 HG LEU 15 13.965 -0.779 5.657 34 HD11 LEU 15 HD11 LEU 15 14.395 1.545 5.401 35 HD12 LEU 15 HD12 LEU 15 12.926 1.308 6.349 36 HD13 LEU 15 HD13 LEU 15 12.816 1.797 4.658 37 HD21 LEU 15 HD21 LEU 15 11.544 -0.653 6.056 38 HD22 LEU 15 HD22 LEU 15 11.975 -1.912 4.901 39 HD23 LEU 15 HD23 LEU 15 11.290 -0.391 4.328 40 H TYR 16 HN TYR 16 15.576 1.210 1.455 41 HA TYR 16 HA TYR 16 15.415 -0.385 -0.999 42 HB2 TYR 16 HB2 TYR 16 16.254 2.061 -1.026 43 HB3 TYR 16 HB1 TYR 16 17.669 1.482 -0.154 44 HD1 TYR 16 HD2 TYR 16 19.282 -0.054 -1.293 45 HD2 TYR 16 HD1 TYR 16 16.009 1.706 -3.362 46 HE1 TYR 16 HE2 TYR 16 20.342 -0.612 -3.439 47 HE2 TYR 16 HE1 TYR 16 17.059 1.152 -5.506 48 HH TYR 16 HH TYR 16 19.578 -1.026 -5.735 49 H PHE 17 HN PHE 17 15.554 -2.378 -0.001 50 HA PHE 17 HA PHE 17 17.535 -2.646 1.931 51 HB2 PHE 17 HB2 PHE 17 15.370 -3.960 2.028 52 HB3 PHE 17 HB1 PHE 17 16.220 -5.164 1.045 53 HD1 PHE 17 HD1 PHE 17 16.272 -3.318 4.210 54 HD2 PHE 17 HD2 PHE 17 18.019 -6.489 1.975 55 HE1 PHE 17 HE1 PHE 17 17.500 -4.038 6.211 56 HE2 PHE 17 HE2 PHE 17 19.250 -7.212 3.987 57 HZ PHE 17 HZ PHE 17 18.991 -5.990 6.099 58 H GLN 18 HN GLN 18 19.280 -2.520 1.673 59 HA GLN 18 HA GLN 18 20.986 -4.597 0.789 60 HB2 GLN 18 HB2 GLN 18 21.095 -1.720 -0.166 61 HB3 GLN 18 HB1 GLN 18 22.588 -2.594 0.132 62 HG2 GLN 18 HG2 GLN 18 20.443 -3.505 -1.776 63 HG3 GLN 18 HG1 GLN 18 21.846 -2.555 -2.255 64 HE21 GLN 18 HE21 GLN 18 22.627 -4.135 -3.599 65 HE22 GLN 18 HE22 GLN 18 23.326 -5.608 -3.041 66 H GLY 19 HN GLY 19 20.486 -1.351 1.856 67 HA2 GLY 19 HA2 GLY 19 21.164 -0.232 3.780 68 HA3 GLY 19 HA1 GLY 19 19.765 -1.169 4.196 69 H HIS 20 HN HIS 20 20.022 -3.025 5.453 70 HA HIS 20 HA HIS 20 20.500 -3.750 7.429 71 HB2 HIS 20 HB2 HIS 20 23.342 -3.673 6.420 72 HB3 HIS 20 HB1 HIS 20 22.956 -4.234 8.048 73 HD1 HIS 20 HD1 HIS 20 21.085 -6.334 8.064 74 HD2 HIS 20 HD2 HIS 20 23.182 -5.581 4.535 75 HE1 HIS 20 HE1 HIS 20 20.884 -8.411 6.654 76 H MET 21 HN MET 21 19.967 -2.793 8.980 77 HA MET 21 HA MET 21 20.021 -0.023 8.984 78 HB2 MET 21 HB2 MET 21 18.782 -2.035 10.793 79 HB3 MET 21 HB1 MET 21 18.728 -0.320 11.176 80 HG2 MET 21 HG2 MET 21 16.701 -1.090 10.029 81 HG3 MET 21 HG1 MET 21 17.550 0.150 9.116 82 HE1 MET 21 HE1 MET 21 15.894 -1.999 6.318 83 HE2 MET 21 HE2 MET 21 16.114 -0.380 6.982 84 HE3 MET 21 HE3 MET 21 15.216 -1.596 7.894 85 H ALA 22 HN ALA 22 21.667 1.003 9.304 86 HA ALA 22 HA ALA 22 22.703 1.182 11.995 87 HB1 ALA 22 HB1 ALA 22 24.932 1.785 11.014 88 HB2 ALA 22 HB2 ALA 22 24.321 1.359 9.415 89 HB3 ALA 22 HB3 ALA 22 24.496 0.114 10.654 90 H TRP 23 HN TRP 23 20.783 2.319 11.649 91 HA TRP 23 HA TRP 23 20.579 4.701 10.062 92 HB2 TRP 23 HB2 TRP 23 18.951 3.389 12.223 93 HB3 TRP 23 HB1 TRP 23 18.574 5.031 11.707 94 HD1 TRP 23 HD1 TRP 23 19.548 2.424 9.242 95 HE1 TRP 23 HE1 TRP 23 17.460 1.909 7.699 96 HE3 TRP 23 HE3 TRP 23 16.042 5.094 11.766 97 HZ2 TRP 23 HZ2 TRP 23 14.650 2.618 7.694 98 HZ3 TRP 23 HZ3 TRP 23 13.762 5.100 10.967 99 HH2 TRP 23 HH2 TRP 23 13.096 3.892 8.970 100 H LYS 24 HN LYS 24 19.491 6.516 11.867 101 HA LYS 24 HA LYS 24 21.777 7.584 13.193 102 HB2 LYS 24 HB2 LYS 24 18.869 8.299 13.476 103 HB3 LYS 24 HB1 LYS 24 20.246 9.248 13.981 104 HG2 LYS 24 HG2 LYS 24 19.749 8.591 11.099 105 HG3 LYS 24 HG1 LYS 24 19.122 10.041 11.883 106 HD2 LYS 24 HD2 LYS 24 21.399 10.652 12.519 107 HD3 LYS 24 HD1 LYS 24 22.025 9.249 11.670 108 HE2 LYS 24 HE2 LYS 24 22.247 11.218 10.274 109 HE3 LYS 24 HE1 LYS 24 21.026 10.160 9.578 110 HZ1 LYS 24 HZ1 LYS 24 20.380 12.515 9.598 111 HZ2 LYS 24 HZ2 LYS 24 20.370 12.537 11.285 112 HZ3 LYS 24 HZ3 LYS 24 19.296 11.547 10.426 113 H ASP 25 HN ASP 25 20.934 8.442 15.479 114 HA ASP 25 HA ASP 25 21.194 6.092 17.082 115 HB2 ASP 25 HB2 ASP 25 21.119 8.973 17.695 116 HB3 ASP 25 HB1 ASP 25 21.557 7.804 18.941 117 H CYS 26 HN CYS 26 18.836 8.535 16.396 118 HA CYS 26 HA CYS 26 16.889 7.336 18.275 119 HB2 CYS 26 HB2 CYS 26 17.306 10.155 17.444 120 HB3 CYS 26 HB1 CYS 26 16.036 9.616 18.545 121 H ILE 27 HN ILE 27 14.914 7.053 17.526 122 HA ILE 27 HA ILE 27 14.559 7.512 14.658 123 HB ILE 27 HB ILE 27 14.827 5.057 15.384 124 HG12 ILE 27 HG12 ILE 27 12.109 5.343 14.220 125 HG13 ILE 27 HG11 ILE 27 13.436 6.052 13.310 126 HG21 ILE 27 HG21 ILE 27 12.965 3.923 16.304 127 HG22 ILE 27 HG22 ILE 27 12.159 5.477 16.571 128 HG23 ILE 27 HG23 ILE 27 13.676 5.104 17.415 129 HD11 ILE 27 HD11 ILE 27 12.869 3.721 12.655 130 HD12 ILE 27 HD12 ILE 27 13.486 3.189 14.255 131 HD13 ILE 27 HD13 ILE 27 14.519 4.022 13.113 132 H ILE 28 HN ILE 28 12.693 8.450 13.984 133 HA ILE 28 HA ILE 28 10.936 9.336 16.153 134 HB ILE 28 HB ILE 28 11.786 10.973 13.757 135 HG12 ILE 28 HG12 ILE 28 13.745 10.748 15.140 136 HG13 ILE 28 HG11 ILE 28 13.090 12.361 15.363 137 HG21 ILE 28 HG21 ILE 28 9.617 11.563 14.578 138 HG22 ILE 28 HG22 ILE 28 10.768 12.848 14.964 139 HG23 ILE 28 HG23 ILE 28 10.241 11.721 16.220 140 HD11 ILE 28 HD11 ILE 28 12.127 11.636 17.531 141 HD12 ILE 28 HD12 ILE 28 13.879 11.427 17.456 142 HD13 ILE 28 HD13 ILE 28 12.828 10.038 17.262 143 H GLN 29 HN GLN 29 9.054 8.461 15.787 144 HA GLN 29 HA GLN 29 8.301 7.783 13.047 145 HB2 GLN 29 HB2 GLN 29 7.153 6.984 15.717 146 HB3 GLN 29 HB1 GLN 29 6.528 6.429 14.177 147 HG2 GLN 29 HG2 GLN 29 8.689 5.316 13.723 148 HG3 GLN 29 HG1 GLN 29 9.310 5.940 15.238 149 HE21 GLN 29 HE21 GLN 29 8.951 3.167 14.262 150 HE22 GLN 29 HE22 GLN 29 8.036 2.377 15.472 151 H ARG 30 HN ARG 30 6.758 8.998 11.993 152 HA ARG 30 HA ARG 30 5.596 11.139 13.565 153 HB2 ARG 30 HB2 ARG 30 6.753 11.630 11.383 154 HB3 ARG 30 HB1 ARG 30 5.477 10.704 10.580 155 HG2 ARG 30 HG2 ARG 30 3.833 12.312 11.714 156 HG3 ARG 30 HG1 ARG 30 5.333 13.195 12.097 157 HD2 ARG 30 HD2 ARG 30 5.731 13.814 9.914 158 HD3 ARG 30 HD1 ARG 30 4.672 12.557 9.251 159 HE ARG 30 HE ARG 30 3.214 14.430 10.826 160 HH11 ARG 30 HH11 ARG 30 4.777 14.314 7.634 161 HH12 ARG 30 HH12 ARG 30 3.610 15.289 6.916 162 HH21 ARG 30 HH21 ARG 30 1.623 15.779 9.784 163 HH22 ARG 30 HH22 ARG 30 1.807 16.131 8.132 164 H TYR 31 HN TYR 31 3.675 10.605 14.430 165 HA TYR 31 HA TYR 31 1.901 8.719 13.129 166 HB2 TYR 31 HB2 TYR 31 2.011 10.012 15.751 167 HB3 TYR 31 HB1 TYR 31 0.507 9.271 15.207 168 HD1 TYR 31 HD1 TYR 31 0.435 6.845 14.956 169 HD2 TYR 31 HD2 TYR 31 3.842 8.785 16.573 170 HE1 TYR 31 HE1 TYR 31 1.139 4.745 15.956 171 HE2 TYR 31 HE2 TYR 31 4.572 6.680 17.582 172 HH TYR 31 HH TYR 31 3.499 4.607 18.339 173 H LYS 32 HN LYS 32 -0.129 9.307 12.493 174 HA LYS 32 HA LYS 32 -0.940 12.050 12.679 175 HB2 LYS 32 HB2 LYS 32 0.582 11.480 10.596 176 HB3 LYS 32 HB1 LYS 32 -0.930 10.750 10.063 177 HG2 LYS 32 HG2 LYS 32 -0.517 13.628 10.781 178 HG3 LYS 32 HG1 LYS 32 -0.574 12.908 9.166 179 HD2 LYS 32 HD2 LYS 32 -2.879 12.190 9.477 180 HD3 LYS 32 HD1 LYS 32 -2.882 12.831 11.111 181 HE2 LYS 32 HE2 LYS 32 -2.549 14.486 8.611 182 HE3 LYS 32 HE1 LYS 32 -4.071 14.247 9.460 183 HZ1 LYS 32 HZ1 LYS 32 -1.646 15.634 10.519 184 HZ2 LYS 32 HZ2 LYS 32 -3.045 15.322 11.424 185 HZ3 LYS 32 HZ3 LYS 32 -3.113 16.317 10.083 186 H ASP 33 HN ASP 33 -2.879 11.813 13.346 187 HA ASP 33 HA ASP 33 -4.914 11.132 13.803 188 HB2 ASP 33 HB2 ASP 33 -4.733 10.857 10.938 189 HB3 ASP 33 HB1 ASP 33 -6.149 10.081 11.663 190 H GLY 34 HN GLY 34 -3.074 9.244 14.627 191 HA2 GLY 34 HA2 GLY 34 -3.702 7.430 16.005 192 HA3 GLY 34 HA1 GLY 34 -5.011 7.125 14.866 193 H ASP 35 HN ASP 35 -2.417 7.540 12.881 194 HA ASP 35 HA ASP 35 -1.358 4.880 13.264 195 HB2 ASP 35 HB2 ASP 35 -1.331 4.613 10.850 196 HB3 ASP 35 HB1 ASP 35 -2.968 4.522 11.488 197 H VAL 36 HN VAL 36 0.594 4.618 12.194 198 HA VAL 36 HA VAL 36 2.118 7.053 12.390 199 HB VAL 36 HB VAL 36 3.106 4.999 13.312 200 HG11 VAL 36 HG11 VAL 36 2.262 3.343 11.783 201 HG12 VAL 36 HG12 VAL 36 4.017 3.243 11.880 202 HG13 VAL 36 HG13 VAL 36 3.243 4.008 10.484 203 HG21 VAL 36 HG21 VAL 36 4.664 6.151 11.017 204 HG22 VAL 36 HG22 VAL 36 5.352 5.239 12.370 205 HG23 VAL 36 HG23 VAL 36 4.566 6.795 12.655 206 H ASN 37 HN ASN 37 2.633 8.284 10.713 207 HA ASN 37 HA ASN 37 1.516 7.427 8.150 208 HB2 ASN 37 HB2 ASN 37 0.754 9.501 9.266 209 HB3 ASN 37 HB1 ASN 37 2.318 10.182 8.864 210 HD21 ASN 37 HD21 ASN 37 -0.726 9.130 7.637 211 HD22 ASN 37 HD22 ASN 37 -0.526 9.716 6.030 212 H ASN 38 HN ASN 38 4.387 9.004 9.530 213 HA ASN 38 HA ASN 38 5.852 8.272 7.141 214 HB2 ASN 38 HB2 ASN 38 6.161 10.782 8.770 215 HB3 ASN 38 HB1 ASN 38 7.106 10.326 7.360 216 HD21 ASN 38 HD21 ASN 38 6.040 10.507 5.256 217 HD22 ASN 38 HD22 ASN 38 4.632 11.472 5.091 218 H ILE 39 HN ILE 39 8.191 8.071 7.535 219 HA ILE 39 HA ILE 39 8.906 7.531 10.324 220 HB ILE 39 HB ILE 39 9.551 5.985 7.846 221 HG12 ILE 39 HG12 ILE 39 7.650 5.144 8.993 222 HG13 ILE 39 HG11 ILE 39 9.033 4.081 9.279 223 HG21 ILE 39 HG21 ILE 39 11.203 4.624 9.006 224 HG22 ILE 39 HG22 ILE 39 11.209 5.746 10.358 225 HG23 ILE 39 HG23 ILE 39 11.752 6.271 8.763 226 HD11 ILE 39 HD11 ILE 39 7.957 6.077 11.253 227 HD12 ILE 39 HD12 ILE 39 9.339 5.014 11.489 228 HD13 ILE 39 HD13 ILE 39 7.728 4.331 11.297 229 H TYR 40 HN TYR 40 10.682 8.334 11.107 230 HA TYR 40 HA TYR 40 12.608 9.705 9.394 231 HB2 TYR 40 HB2 TYR 40 11.310 11.123 11.777 232 HB3 TYR 40 HB1 TYR 40 12.556 11.751 10.706 233 HD1 TYR 40 HD1 TYR 40 11.998 12.018 8.266 234 HD2 TYR 40 HD2 TYR 40 8.967 11.565 11.227 235 HE1 TYR 40 HE1 TYR 40 10.355 12.934 6.720 236 HE2 TYR 40 HE2 TYR 40 7.329 12.481 9.679 237 HH TYR 40 HH TYR 40 7.402 14.081 7.413 238 H THR 41 HN THR 41 14.578 10.307 10.722 239 HA THR 41 HA THR 41 14.840 9.169 13.311 240 HB THR 41 HB THR 41 15.167 7.157 12.327 241 HG1 THR 41 HG1 THR 41 16.768 7.575 13.802 242 HG21 THR 41 HG21 THR 41 16.696 6.677 10.449 243 HG22 THR 41 HG22 THR 41 16.981 8.413 10.245 244 HG23 THR 41 HG23 THR 41 15.361 7.723 10.003 245 H ALA 42 HN ALA 42 16.661 9.889 14.344 246 HA ALA 42 HA ALA 42 18.209 12.059 13.055 247 HB1 ALA 42 HB1 ALA 42 16.704 12.378 15.640 248 HB2 ALA 42 HB2 ALA 42 16.176 13.025 14.101 249 HB3 ALA 42 HB3 ALA 42 17.680 13.606 14.834 250 H ASN 43 HN ASN 43 20.155 12.599 14.239 251 HA ASN 43 HA ASN 43 21.146 10.482 15.862 252 HB2 ASN 43 HB2 ASN 43 22.268 13.255 15.392 253 HB3 ASN 43 HB1 ASN 43 23.068 12.016 16.340 254 HD21 ASN 43 HD21 ASN 43 23.741 10.098 15.241 255 HD22 ASN 43 HD22 ASN 43 24.131 10.167 13.558 256 H ARG 44 HN ARG 44 21.707 10.733 18.180 257 HA ARG 44 HA ARG 44 19.900 12.172 19.715 258 HB2 ARG 44 HB2 ARG 44 21.864 11.682 21.508 259 HB3 ARG 44 HB1 ARG 44 20.710 10.482 20.920 260 HG2 ARG 44 HG2 ARG 44 22.301 9.640 19.369 261 HG3 ARG 44 HG1 ARG 44 23.498 10.820 19.820 262 HD2 ARG 44 HD2 ARG 44 23.704 9.824 21.999 263 HD3 ARG 44 HD1 ARG 44 22.299 8.794 21.709 264 HE ARG 44 HE ARG 44 23.996 8.215 19.654 265 HH11 ARG 44 HH11 ARG 44 24.457 8.022 23.173 266 HH12 ARG 44 HH12 ARG 44 25.388 6.616 23.077 267 HH21 ARG 44 HH21 ARG 44 25.242 6.351 19.550 268 HH22 ARG 44 HH22 ARG 44 25.818 5.615 20.994 269 H ASN 45 HN ASN 45 19.698 14.181 19.688 270 HA ASN 45 HA ASN 45 19.978 16.326 20.043 271 HB2 ASN 45 HB2 ASN 45 22.889 15.847 20.278 272 HB3 ASN 45 HB1 ASN 45 22.067 17.407 20.526 273 HD21 ASN 45 HD21 ASN 45 23.599 15.375 22.247 274 HD22 ASN 45 HD22 ASN 45 22.629 15.259 23.680 275 H GLU 46 HN GLU 46 19.208 15.834 17.836 276 HA GLU 46 HA GLU 46 20.683 17.456 16.003 277 HB2 GLU 46 HB2 GLU 46 21.474 15.404 15.165 278 HB3 GLU 46 HB1 GLU 46 19.956 14.574 15.499 279 HG2 GLU 46 HG2 GLU 46 18.866 15.657 13.710 280 HG3 GLU 46 HG1 GLU 46 20.206 16.771 13.530 281 H GLU 47 HN GLU 47 19.340 18.852 14.989 282 HA GLU 47 HA GLU 47 16.517 18.444 15.169 283 HB2 GLU 47 HB2 GLU 47 17.943 20.640 13.653 284 HB3 GLU 47 HB1 GLU 47 16.251 20.596 14.083 285 HG2 GLU 47 HG2 GLU 47 17.023 22.058 15.628 286 HG3 GLU 47 HG1 GLU 47 17.215 20.555 16.521 287 H ILE 48 HN ILE 48 15.627 17.082 13.780 288 HA ILE 48 HA ILE 48 16.663 16.869 11.104 289 HB ILE 48 HB ILE 48 14.715 15.383 10.705 290 HG12 ILE 48 HG12 ILE 48 14.224 15.709 13.675 291 HG13 ILE 48 HG11 ILE 48 13.203 16.225 12.336 292 HG21 ILE 48 HG21 ILE 48 16.624 14.565 12.839 293 HG22 ILE 48 HG22 ILE 48 16.789 14.368 11.087 294 HG23 ILE 48 HG23 ILE 48 15.564 13.459 11.969 295 HD11 ILE 48 HD11 ILE 48 12.352 14.193 13.384 296 HD12 ILE 48 HD12 ILE 48 13.860 13.365 12.957 297 HD13 ILE 48 HD13 ILE 48 12.788 13.961 11.689 298 H THR 49 HN THR 49 14.582 16.825 9.470 299 HA THR 49 HA THR 49 12.928 19.064 10.217 300 HB THR 49 HB THR 49 13.797 18.766 7.445 301 HG1 THR 49 HG1 THR 49 15.646 18.919 9.039 302 HG21 THR 49 HG21 THR 49 13.422 21.213 7.410 303 HG22 THR 49 HG22 THR 49 13.105 21.165 9.143 304 HG23 THR 49 HG23 THR 49 12.023 20.333 8.027 305 H ILE 50 HN ILE 50 10.921 18.744 9.758 306 HA ILE 50 HA ILE 50 10.168 16.468 8.083 307 HB ILE 50 HB ILE 50 8.818 17.418 10.617 308 HG12 ILE 50 HG12 ILE 50 10.129 14.789 9.945 309 HG13 ILE 50 HG11 ILE 50 10.862 16.084 10.887 310 HG21 ILE 50 HG21 ILE 50 7.979 15.215 8.731 311 HG22 ILE 50 HG22 ILE 50 7.140 16.748 8.974 312 HG23 ILE 50 HG23 ILE 50 7.232 15.572 10.288 313 HD11 ILE 50 HD11 ILE 50 9.070 15.820 12.554 314 HD12 ILE 50 HD12 ILE 50 9.985 14.321 12.342 315 HD13 ILE 50 HD13 ILE 50 8.393 14.505 11.600 316 H GLU 51 HN GLU 51 9.386 17.663 6.249 317 HA GLU 51 HA GLU 51 8.141 19.136 5.008 318 HB2 GLU 51 HB2 GLU 51 6.399 18.578 7.372 319 HB3 GLU 51 HB1 GLU 51 5.873 19.719 6.147 320 HG2 GLU 51 HG2 GLU 51 4.937 17.547 5.792 321 HG3 GLU 51 HG1 GLU 51 6.000 18.020 4.462 322 H GLU 52 HN GLU 52 10.131 20.212 6.329 323 HA GLU 52 HA GLU 52 11.155 22.061 6.977 324 HB2 GLU 52 HB2 GLU 52 8.834 23.326 5.589 325 HB3 GLU 52 HB1 GLU 52 10.121 24.303 6.277 326 HG2 GLU 52 HG2 GLU 52 10.365 22.250 4.110 327 HG3 GLU 52 HG1 GLU 52 10.584 24.009 4.070 328 H TYR 53 HN TYR 53 9.410 20.795 8.878 329 HA TYR 53 HA TYR 53 9.449 22.975 10.849 330 HB2 TYR 53 HB2 TYR 53 8.213 20.193 10.998 331 HB3 TYR 53 HB1 TYR 53 8.082 21.453 12.214 332 HD1 TYR 53 HD2 TYR 53 6.937 23.610 11.480 333 HD2 TYR 53 HD1 TYR 53 6.519 19.957 9.380 334 HE1 TYR 53 HE2 TYR 53 4.899 24.463 10.430 335 HE2 TYR 53 HE1 TYR 53 4.487 20.775 8.310 336 HH TYR 53 HH TYR 53 3.579 24.103 8.497 337 H LYS 54 HN LYS 54 11.528 22.972 11.684 338 HA LYS 54 HA LYS 54 12.845 20.457 11.671 339 HB2 LYS 54 HB2 LYS 54 14.824 21.441 12.079 340 HB3 LYS 54 HB1 LYS 54 13.985 22.850 11.433 341 HG2 LYS 54 HG2 LYS 54 14.283 22.219 14.332 342 HG3 LYS 54 HG1 LYS 54 15.481 23.148 13.429 343 HD2 LYS 54 HD2 LYS 54 13.703 24.818 12.933 344 HD3 LYS 54 HD1 LYS 54 12.586 23.882 13.936 345 HE2 LYS 54 HE2 LYS 54 13.964 24.220 15.882 346 HE3 LYS 54 HE1 LYS 54 15.204 25.015 14.923 347 HZ1 LYS 54 HZ1 LYS 54 13.665 26.814 14.487 348 HZ2 LYS 54 HZ2 LYS 54 13.835 26.578 16.154 349 HZ3 LYS 54 HZ3 LYS 54 12.453 26.033 15.364 350 H VAL 55 HN VAL 55 13.374 19.230 13.242 351 HA VAL 55 HA VAL 55 11.877 19.600 15.746 352 HB VAL 55 HB VAL 55 12.152 17.074 14.087 353 HG11 VAL 55 HG11 VAL 55 10.689 17.517 16.680 354 HG12 VAL 55 HG12 VAL 55 12.173 16.581 16.463 355 HG13 VAL 55 HG13 VAL 55 10.671 16.047 15.703 356 HG21 VAL 55 HG21 VAL 55 9.709 17.223 13.855 357 HG22 VAL 55 HG22 VAL 55 10.537 18.596 13.120 358 HG23 VAL 55 HG23 VAL 55 9.739 18.779 14.681 359 H PHE 56 HN PHE 56 13.299 19.677 17.366 360 HA PHE 56 HA PHE 56 15.971 18.660 16.997 361 HB2 PHE 56 HB2 PHE 56 15.795 20.830 18.069 362 HB3 PHE 56 HB1 PHE 56 14.666 20.175 19.263 363 HD1 PHE 56 HD1 PHE 56 18.176 19.811 18.040 364 HD2 PHE 56 HD2 PHE 56 15.447 19.342 21.275 365 HE1 PHE 56 HE1 PHE 56 20.022 19.219 19.493 366 HE2 PHE 56 HE2 PHE 56 17.286 18.750 22.751 367 HZ PHE 56 HZ PHE 56 19.608 18.679 21.877 368 H VAL 57 HN VAL 57 16.353 16.630 17.376 369 HA VAL 57 HA VAL 57 14.770 15.269 19.403 370 HB VAL 57 HB VAL 57 16.790 14.159 17.437 371 HG11 VAL 57 HG11 VAL 57 16.607 12.835 19.504 372 HG12 VAL 57 HG12 VAL 57 15.920 11.958 18.143 373 HG13 VAL 57 HG13 VAL 57 14.865 12.756 19.308 374 HG21 VAL 57 HG21 VAL 57 13.789 14.082 17.462 375 HG22 VAL 57 HG22 VAL 57 14.828 13.265 16.293 376 HG23 VAL 57 HG23 VAL 57 14.791 15.036 16.367 377 H ASN 58 HN ASN 58 15.488 15.212 21.305 378 HA ASN 58 HA ASN 58 18.085 16.067 22.080 379 HB2 ASN 58 HB2 ASN 58 16.041 16.583 23.294 380 HB3 ASN 58 HB1 ASN 58 15.737 14.863 23.606 381 HD21 ASN 58 HD21 ASN 58 15.690 15.161 25.807 382 HD22 ASN 58 HD22 ASN 58 17.114 15.558 26.706 383 H GLU 59 HN GLU 59 19.106 14.564 23.820 384 HA GLU 59 HA GLU 59 20.115 12.378 22.282 385 HB2 GLU 59 HB2 GLU 59 21.742 11.924 23.905 386 HB3 GLU 59 HB1 GLU 59 21.530 13.664 23.910 387 HG2 GLU 59 HG2 GLU 59 20.265 11.791 25.851 388 HG3 GLU 59 HG1 GLU 59 21.793 12.601 26.163 389 H ALA 60 HN ALA 60 17.637 12.501 24.549 390 HA ALA 60 HA ALA 60 17.707 9.669 25.040 391 HB1 ALA 60 HB1 ALA 60 15.707 9.972 26.377 392 HB2 ALA 60 HB2 ALA 60 15.598 11.658 25.860 393 HB3 ALA 60 HB3 ALA 60 16.969 11.111 26.848 394 H CYS 61 HN CYS 61 17.129 11.209 22.441 395 HA CYS 61 HA CYS 61 16.120 10.789 20.495 396 HB2 CYS 61 HB2 CYS 61 15.312 8.240 21.886 397 HB3 CYS 61 HB1 CYS 61 15.217 8.516 20.143 398 H HIS 62 HN HIS 62 14.983 12.267 22.308 399 HA HIS 62 HA HIS 62 12.128 11.819 21.718 400 HB2 HIS 62 HB2 HIS 62 12.811 11.922 24.212 401 HB3 HIS 62 HB1 HIS 62 13.036 13.648 23.929 402 HD1 HIS 62 HD1 HIS 62 11.023 14.764 25.048 403 HD2 HIS 62 HD2 HIS 62 10.005 11.377 22.862 404 HE1 HIS 62 HE1 HIS 62 8.534 14.595 25.149 405 HA PRO 63 HA PRO 63 12.753 15.363 19.107 406 HB2 PRO 63 HB2 PRO 63 10.478 15.166 17.761 407 HB3 PRO 63 HB1 PRO 63 11.724 13.913 17.573 408 HG2 PRO 63 HG2 PRO 63 9.240 13.847 19.201 409 HG3 PRO 63 HG1 PRO 63 9.945 12.584 18.169 410 HD2 PRO 63 HD2 PRO 63 10.268 12.635 20.877 411 HD3 PRO 63 HD1 PRO 63 11.423 11.927 19.725 412 H TYR 64 HN TYR 64 12.269 17.435 19.251 413 HA TYR 64 HA TYR 64 9.726 18.165 20.386 414 HB2 TYR 64 HB2 TYR 64 12.335 19.527 20.964 415 HB3 TYR 64 HB1 TYR 64 10.756 20.259 21.296 416 HD1 TYR 64 HD2 TYR 64 9.169 19.027 22.783 417 HD2 TYR 64 HD1 TYR 64 13.216 18.096 22.312 418 HE1 TYR 64 HE2 TYR 64 9.088 17.771 24.949 419 HE2 TYR 64 HE1 TYR 64 13.227 16.798 24.480 420 HH TYR 64 HH TYR 64 11.935 16.743 26.509 421 HA PRO 65 HA PRO 65 8.437 19.482 20.605 422 HB2 PRO 65 HB2 PRO 65 6.148 20.205 19.431 423 HB3 PRO 65 HB1 PRO 65 7.304 21.397 20.060 424 HG2 PRO 65 HG2 PRO 65 6.834 20.507 17.322 425 HG3 PRO 65 HG1 PRO 65 7.242 22.157 17.970 426 HD2 PRO 65 HD2 PRO 65 8.995 20.404 16.694 427 HD3 PRO 65 HD1 PRO 65 9.452 21.749 17.757 428 H VAL 66 HN VAL 66 6.536 18.078 20.857 429 HA VAL 66 HA VAL 66 6.939 15.662 19.332 430 HB VAL 66 HB VAL 66 5.236 16.235 21.777 431 HG11 VAL 66 HG11 VAL 66 5.975 13.580 20.546 432 HG12 VAL 66 HG12 VAL 66 4.371 14.304 20.545 433 HG13 VAL 66 HG13 VAL 66 5.112 13.809 22.068 434 HG21 VAL 66 HG21 VAL 66 7.940 14.949 21.463 435 HG22 VAL 66 HG22 VAL 66 7.067 15.069 22.983 436 HG23 VAL 66 HG23 VAL 66 7.617 16.527 22.149 437 H ILE 67 HN ILE 67 4.328 17.983 19.967 438 HA ILE 67 HA ILE 67 2.918 16.734 17.819 439 HB ILE 67 HB ILE 67 2.022 18.423 20.063 440 HG12 ILE 67 HG12 ILE 67 -0.032 17.120 19.764 441 HG13 ILE 67 HG11 ILE 67 0.698 16.296 18.406 442 HG21 ILE 67 HG21 ILE 67 -0.001 19.267 18.969 443 HG22 ILE 67 HG22 ILE 67 0.619 18.718 17.413 444 HG23 ILE 67 HG23 ILE 67 1.460 19.990 18.296 445 HD11 ILE 67 HD11 ILE 67 1.635 16.221 21.257 446 HD12 ILE 67 HD12 ILE 67 2.400 15.382 19.891 447 HD13 ILE 67 HD13 ILE 67 0.757 14.951 20.400 448 H LEU 68 HN LEU 68 2.982 17.419 15.959 449 HA LEU 68 HA LEU 68 4.397 19.895 15.295 450 HB2 LEU 68 HB2 LEU 68 3.210 17.765 13.514 451 HB3 LEU 68 HB1 LEU 68 4.048 19.178 12.914 452 HG LEU 68 HG LEU 68 5.214 16.877 14.467 453 HD11 LEU 68 HD11 LEU 68 5.723 18.003 11.735 454 HD12 LEU 68 HD12 LEU 68 4.840 16.518 12.096 455 HD13 LEU 68 HD13 LEU 68 6.576 16.637 12.457 456 HD21 LEU 68 HD21 LEU 68 6.550 19.459 13.634 457 HD22 LEU 68 HD22 LEU 68 7.376 18.040 14.266 458 HD23 LEU 68 HD23 LEU 68 6.257 18.930 15.295 459 HA PRO 69 HA PRO 69 0.912 22.511 14.656 460 HB2 PRO 69 HB2 PRO 69 1.712 23.233 11.967 461 HB3 PRO 69 HB1 PRO 69 1.672 24.260 13.421 462 HG2 PRO 69 HG2 PRO 69 4.024 23.612 12.440 463 HG3 PRO 69 HG1 PRO 69 3.719 23.495 14.197 464 HD2 PRO 69 HD2 PRO 69 3.596 21.300 12.176 465 HD3 PRO 69 HD1 PRO 69 4.560 21.309 13.659 466 H ASP 70 HN ASP 70 1.418 20.070 12.516 467 HA ASP 70 HA ASP 70 -1.071 20.192 11.069 468 HB2 ASP 70 HB2 ASP 70 0.782 19.346 9.857 469 HB3 ASP 70 HB1 ASP 70 1.270 18.307 11.182 470 H ARG 71 HN ARG 71 -0.042 19.236 14.072 471 HA ARG 71 HA ARG 71 -0.441 17.831 15.593 472 HB2 ARG 71 HB2 ARG 71 -2.679 18.642 15.818 473 HB3 ARG 71 HB1 ARG 71 -3.224 17.605 14.499 474 HG2 ARG 71 HG2 ARG 71 -3.023 15.662 15.755 475 HG3 ARG 71 HG1 ARG 71 -2.034 16.495 16.947 476 HD2 ARG 71 HD2 ARG 71 -4.917 17.199 16.466 477 HD3 ARG 71 HD1 ARG 71 -4.432 15.951 17.611 478 HE ARG 71 HE ARG 71 -3.167 17.620 18.791 479 HH11 ARG 71 HH11 ARG 71 -5.600 18.873 16.538 480 HH12 ARG 71 HH12 ARG 71 -5.902 20.285 17.426 481 HH21 ARG 71 HH21 ARG 71 -3.582 19.564 20.010 482 HH22 ARG 71 HH22 ARG 71 -4.707 20.703 19.451 483 H SER 72 HN SER 72 1.141 16.966 14.324 484 HA SER 72 HA SER 72 0.535 14.193 13.755 485 HB2 SER 72 HB2 SER 72 3.239 15.527 13.398 486 HB3 SER 72 HB1 SER 72 2.601 14.028 12.688 487 HG SER 72 HG SER 72 0.961 15.840 11.833 488 H VAL 73 HN VAL 73 1.329 12.710 15.130 489 HA VAL 73 HA VAL 73 2.364 13.608 17.691 490 HB VAL 73 HB VAL 73 0.803 11.275 16.666 491 HG11 VAL 73 HG11 VAL 73 2.740 10.192 17.687 492 HG12 VAL 73 HG12 VAL 73 1.259 9.873 18.549 493 HG13 VAL 73 HG13 VAL 73 2.442 11.046 19.207 494 HG21 VAL 73 HG21 VAL 73 0.702 12.883 19.197 495 HG22 VAL 73 HG22 VAL 73 -0.447 11.634 18.712 496 HG23 VAL 73 HG23 VAL 73 -0.295 13.114 17.757 497 H LEU 74 HN LEU 74 4.549 13.604 17.825 498 HA LEU 74 HA LEU 74 5.949 11.638 16.214 499 HB2 LEU 74 HB2 LEU 74 6.664 14.250 17.345 500 HB3 LEU 74 HB1 LEU 74 7.900 13.001 17.421 501 HG LEU 74 HG LEU 74 8.002 12.773 15.100 502 HD11 LEU 74 HD11 LEU 74 5.647 12.865 14.592 503 HD12 LEU 74 HD12 LEU 74 6.583 13.925 13.544 504 HD13 LEU 74 HD13 LEU 74 5.628 14.607 14.882 505 HD21 LEU 74 HD21 LEU 74 7.746 15.694 15.775 506 HD22 LEU 74 HD22 LEU 74 8.600 15.019 14.384 507 HD23 LEU 74 HD23 LEU 74 9.165 14.679 16.019 508 H SER 75 HN SER 75 6.722 9.915 16.943 509 HA SER 75 HA SER 75 7.054 9.729 19.860 510 HB2 SER 75 HB2 SER 75 6.995 7.237 19.540 511 HB3 SER 75 HB1 SER 75 5.493 8.049 19.097 512 HG SER 75 HG SER 75 7.322 6.698 17.567 513 H GLY 76 HN GLY 76 9.016 9.442 20.685 514 HA2 GLY 76 HA2 GLY 76 11.186 9.225 18.723 515 HA3 GLY 76 HA1 GLY 76 11.246 10.174 20.217 516 H ASP 77 HN ASP 77 12.253 7.403 18.830 517 HA ASP 77 HA ASP 77 12.592 6.123 21.456 518 HB2 ASP 77 HB2 ASP 77 11.900 4.816 18.814 519 HB3 ASP 77 HB1 ASP 77 12.336 3.961 20.281 520 H PHE 78 HN PHE 78 14.413 4.532 21.217 521 HA PHE 78 HA PHE 78 16.601 5.838 19.805 522 HB2 PHE 78 HB2 PHE 78 16.436 3.445 21.555 523 HB3 PHE 78 HB1 PHE 78 17.975 4.035 20.925 524 HD1 PHE 78 HD2 PHE 78 15.058 5.063 23.092 525 HD2 PHE 78 HD1 PHE 78 19.218 5.577 22.240 526 HE1 PHE 78 HE2 PHE 78 15.299 6.464 25.067 527 HE2 PHE 78 HE1 PHE 78 19.436 6.975 24.218 528 HZ PHE 78 HZ PHE 78 17.478 7.428 25.643 529 H THR 79 HN THR 79 17.501 4.964 17.906 530 HA THR 79 HA THR 79 15.873 3.183 16.390 531 HB THR 79 HB THR 79 18.636 3.793 15.649 532 HG1 THR 79 HG1 THR 79 18.223 5.819 15.339 533 HG21 THR 79 HG21 THR 79 17.367 2.543 14.105 534 HG22 THR 79 HG22 THR 79 17.556 4.200 13.476 535 HG23 THR 79 HG23 THR 79 16.036 3.701 14.225 536 H SER 80 HN SER 80 18.410 2.630 18.645 537 HA SER 80 HA SER 80 19.589 0.358 17.478 538 HB2 SER 80 HB2 SER 80 20.276 0.128 19.977 539 HB3 SER 80 HB1 SER 80 20.851 1.525 19.053 540 HG SER 80 HG SER 80 19.945 2.043 21.104 541 H ALA 81 HN ALA 81 16.806 0.926 19.498 542 HA ALA 81 HA ALA 81 16.388 -1.913 19.777 543 HB1 ALA 81 HB1 ALA 81 14.723 -1.333 21.496 544 HB2 ALA 81 HB2 ALA 81 14.959 0.378 21.142 545 HB3 ALA 81 HB3 ALA 81 16.274 -0.570 21.839 546 H TYR 82 HN TYR 82 16.008 -0.221 17.460 547 HA TYR 82 HA TYR 82 13.391 -1.043 16.635 548 HB2 TYR 82 HB2 TYR 82 14.419 1.681 16.796 549 HB3 TYR 82 HB1 TYR 82 13.402 1.324 15.405 550 HD1 TYR 82 HD1 TYR 82 13.570 1.433 19.087 551 HD2 TYR 82 HD2 TYR 82 11.027 1.186 15.701 552 HE1 TYR 82 HE1 TYR 82 11.652 1.795 20.526 553 HE2 TYR 82 HE2 TYR 82 9.072 1.548 17.127 554 HH TYR 82 HH TYR 82 9.392 2.641 20.326 555 H ALA 83 HN ALA 83 13.489 0.100 14.101 556 HA ALA 83 HA ALA 83 14.198 -0.242 12.071 557 HB1 ALA 83 HB1 ALA 83 16.452 0.293 11.486 558 HB2 ALA 83 HB2 ALA 83 16.966 0.111 13.171 559 HB3 ALA 83 HB3 ALA 83 15.854 1.418 12.709 560 H ASP 84 HN ASP 84 13.583 -1.976 11.690 561 HA ASP 84 HA ASP 84 13.756 -4.456 12.771 562 HB2 ASP 84 HB2 ASP 84 13.324 -3.891 9.848 563 HB3 ASP 84 HB1 ASP 84 12.887 -5.371 10.680 564 H ASP 85 HN ASP 85 15.889 -3.187 10.358 565 HA ASP 85 HA ASP 85 17.589 -3.988 9.087 566 HB2 ASP 85 HB2 ASP 85 18.495 -4.279 11.511 567 HB3 ASP 85 HB1 ASP 85 18.085 -5.973 11.301 568 H ASP 86 HN ASP 86 15.735 -4.591 7.993 569 HA ASP 86 HA ASP 86 14.112 -6.727 8.121 570 HB2 ASP 86 HB2 ASP 86 13.786 -4.760 6.683 571 HB3 ASP 86 HB1 ASP 86 15.010 -5.372 5.584 572 H GLU 87 HN GLU 87 14.954 -8.578 8.637 573 HA GLU 87 HA GLU 87 17.053 -9.716 7.133 574 HB2 GLU 87 HB2 GLU 87 16.754 -11.694 8.727 575 HB3 GLU 87 HB1 GLU 87 17.299 -10.150 9.387 576 HG2 GLU 87 HG2 GLU 87 15.009 -9.702 10.121 577 HG3 GLU 87 HG1 GLU 87 14.518 -11.291 9.537 578 H SER 88 HN SER 88 16.319 -9.789 5.242 579 HA SER 88 HA SER 88 15.138 -12.295 4.418 580 HB2 SER 88 HB2 SER 88 14.122 -9.562 3.544 581 HB3 SER 88 HB1 SER 88 13.650 -11.096 2.807 582 HG SER 88 HG SER 88 13.383 -11.211 5.459 583 H CYS 89 HN CYS 89 17.723 -11.273 4.626 584 HA CYS 89 HA CYS 89 18.512 -11.052 1.815 585 HB2 CYS 89 HB2 CYS 89 18.752 -8.888 2.988 586 HB3 CYS 89 HB1 CYS 89 19.752 -9.650 4.214 587 HG CYS 89 HG CYS 89 21.897 -8.963 3.074 Start of MODEL 18 1 H GLY 11 HT1 GLY 11 -1.202 0.915 5.581 2 HA2 GLY 11 HA1 GLY 11 -1.328 2.481 3.076 3 HA3 GLY 11 HA2 GLY 11 -1.292 3.155 4.708 4 H ARG 12 HN ARG 12 0.653 4.028 3.193 5 HA ARG 12 HA ARG 12 2.752 4.318 2.968 6 HB2 ARG 12 HB2 ARG 12 2.752 3.017 5.546 7 HB3 ARG 12 HB1 ARG 12 4.273 2.796 4.683 8 HG2 ARG 12 HG2 ARG 12 2.938 5.462 5.134 9 HG3 ARG 12 HG1 ARG 12 4.247 4.791 6.106 10 HD2 ARG 12 HD2 ARG 12 5.794 4.893 4.345 11 HD3 ARG 12 HD1 ARG 12 4.549 5.128 3.129 12 HE ARG 12 HE ARG 12 4.476 7.184 5.020 13 HH11 ARG 12 HH11 ARG 12 6.747 6.117 2.518 14 HH12 ARG 12 HH12 ARG 12 7.026 7.658 1.881 15 HH21 ARG 12 HH21 ARG 12 4.878 9.351 4.154 16 HH22 ARG 12 HH22 ARG 12 5.948 9.561 2.846 17 H GLU 13 HN GLU 13 3.655 3.936 1.353 18 HA GLU 13 HA GLU 13 4.111 1.203 0.430 19 HB2 GLU 13 HB2 GLU 13 4.294 3.866 -1.049 20 HB3 GLU 13 HB1 GLU 13 4.373 2.263 -1.787 21 HG2 GLU 13 HG2 GLU 13 2.120 1.775 -1.150 22 HG3 GLU 13 HG1 GLU 13 2.024 3.240 -0.200 23 H ASN 14 HN ASN 14 5.788 0.688 1.645 24 HA ASN 14 HA ASN 14 7.862 2.521 2.357 25 HB2 ASN 14 HB2 ASN 14 7.680 -0.447 2.830 26 HB3 ASN 14 HB1 ASN 14 8.857 0.628 3.543 27 HD21 ASN 14 HD21 ASN 14 6.750 -1.102 4.719 28 HD22 ASN 14 HD22 ASN 14 5.840 -0.063 5.740 29 H LEU 15 HN LEU 15 9.999 2.252 2.050 30 HA LEU 15 HA LEU 15 10.847 1.209 -0.549 31 HB2 LEU 15 HB2 LEU 15 12.449 2.650 1.588 32 HB3 LEU 15 HB1 LEU 15 12.916 2.409 -0.082 33 HG LEU 15 HG LEU 15 10.637 4.168 0.834 34 HD11 LEU 15 HD11 LEU 15 13.363 4.915 -0.194 35 HD12 LEU 15 HD12 LEU 15 12.819 5.066 1.478 36 HD13 LEU 15 HD13 LEU 15 12.061 6.032 0.211 37 HD21 LEU 15 HD21 LEU 15 10.606 4.959 -1.461 38 HD22 LEU 15 HD22 LEU 15 10.299 3.223 -1.399 39 HD23 LEU 15 HD23 LEU 15 11.886 3.823 -1.884 40 H TYR 16 HN TYR 16 13.012 -0.035 -0.447 41 HA TYR 16 HA TYR 16 12.426 -2.296 1.144 42 HB2 TYR 16 HB2 TYR 16 13.422 -2.532 -1.097 43 HB3 TYR 16 HB1 TYR 16 14.902 -1.785 -0.514 44 HD1 TYR 16 HD2 TYR 16 12.696 -4.720 -0.082 45 HD2 TYR 16 HD1 TYR 16 16.579 -3.109 0.519 46 HE1 TYR 16 HE2 TYR 16 13.497 -6.940 0.611 47 HE2 TYR 16 HE1 TYR 16 17.392 -5.322 1.216 48 HH TYR 16 HH TYR 16 16.460 -7.362 2.175 49 H PHE 17 HN PHE 17 12.429 -1.512 3.185 50 HA PHE 17 HA PHE 17 15.099 -1.255 4.337 51 HB2 PHE 17 HB2 PHE 17 12.472 -0.382 5.509 52 HB3 PHE 17 HB1 PHE 17 13.972 -0.419 6.430 53 HD1 PHE 17 HD1 PHE 17 15.951 0.898 5.460 54 HD2 PHE 17 HD2 PHE 17 11.906 1.532 4.313 55 HE1 PHE 17 HE1 PHE 17 16.545 3.135 4.639 56 HE2 PHE 17 HE2 PHE 17 12.489 3.775 3.492 57 HZ PHE 17 HZ PHE 17 14.813 4.573 3.648 58 H GLN 18 HN GLN 18 15.162 -3.463 3.817 59 HA GLN 18 HA GLN 18 14.986 -5.051 6.183 60 HB2 GLN 18 HB2 GLN 18 13.735 -5.777 3.524 61 HB3 GLN 18 HB1 GLN 18 14.239 -6.973 4.699 62 HG2 GLN 18 HG2 GLN 18 12.653 -5.965 6.322 63 HG3 GLN 18 HG1 GLN 18 12.127 -4.850 5.066 64 HE21 GLN 18 HE21 GLN 18 10.584 -6.755 6.535 65 HE22 GLN 18 HE22 GLN 18 9.907 -7.873 5.399 66 H GLY 19 HN GLY 19 16.969 -3.609 4.952 67 HA2 GLY 19 HA2 GLY 19 18.667 -5.715 3.796 68 HA3 GLY 19 HA1 GLY 19 18.471 -4.216 2.896 69 H HIS 20 HN HIS 20 18.297 -3.631 6.132 70 HA HIS 20 HA HIS 20 19.520 -2.860 7.740 71 HB2 HIS 20 HB2 HIS 20 20.875 -4.956 7.505 72 HB3 HIS 20 HB1 HIS 20 21.984 -4.054 6.478 73 HD1 HIS 20 HD1 HIS 20 23.964 -3.120 7.763 74 HD2 HIS 20 HD2 HIS 20 20.586 -3.611 10.119 75 HE1 HIS 20 HE1 HIS 20 24.638 -2.458 10.103 76 H MET 21 HN MET 21 19.075 -0.820 7.271 77 HA MET 21 HA MET 21 21.015 0.790 5.821 78 HB2 MET 21 HB2 MET 21 18.699 1.506 5.640 79 HB3 MET 21 HB1 MET 21 18.480 1.411 7.379 80 HG2 MET 21 HG2 MET 21 20.102 3.269 7.632 81 HG3 MET 21 HG1 MET 21 20.168 3.402 5.886 82 HE1 MET 21 HE1 MET 21 19.663 5.997 6.272 83 HE2 MET 21 HE2 MET 21 19.520 5.721 8.006 84 HE3 MET 21 HE3 MET 21 18.252 6.594 7.145 85 H ALA 22 HN ALA 22 22.532 2.108 6.941 86 HA ALA 22 HA ALA 22 22.863 1.521 9.735 87 HB1 ALA 22 HB1 ALA 22 24.863 1.875 8.362 88 HB2 ALA 22 HB2 ALA 22 24.774 3.093 9.635 89 HB3 ALA 22 HB3 ALA 22 24.320 3.508 7.981 90 H TRP 23 HN TRP 23 21.020 2.225 10.720 91 HA TRP 23 HA TRP 23 19.832 4.727 10.216 92 HB2 TRP 23 HB2 TRP 23 19.306 2.706 12.462 93 HB3 TRP 23 HB1 TRP 23 18.446 4.200 12.146 94 HD1 TRP 23 HD1 TRP 23 19.264 1.164 10.079 95 HE1 TRP 23 HE1 TRP 23 17.157 0.552 8.671 96 HE3 TRP 23 HE3 TRP 23 16.325 4.769 11.800 97 HZ2 TRP 23 HZ2 TRP 23 14.424 1.690 8.420 98 HZ3 TRP 23 HZ3 TRP 23 13.998 4.984 10.992 99 HH2 TRP 23 HH2 TRP 23 13.106 3.439 9.339 100 H LYS 24 HN LYS 24 19.406 6.208 12.000 101 HA LYS 24 HA LYS 24 21.907 7.117 13.107 102 HB2 LYS 24 HB2 LYS 24 19.141 8.221 13.522 103 HB3 LYS 24 HB1 LYS 24 20.671 9.022 13.808 104 HG2 LYS 24 HG2 LYS 24 19.871 8.176 11.049 105 HG3 LYS 24 HG1 LYS 24 19.327 9.688 11.752 106 HD2 LYS 24 HD2 LYS 24 21.208 10.163 10.420 107 HD3 LYS 24 HD1 LYS 24 21.694 10.294 12.113 108 HE2 LYS 24 HE2 LYS 24 22.920 8.232 11.971 109 HE3 LYS 24 HE1 LYS 24 22.267 7.895 10.359 110 HZ1 LYS 24 HZ1 LYS 24 24.567 8.765 10.360 111 HZ2 LYS 24 HZ2 LYS 24 24.005 10.229 11.004 112 HZ3 LYS 24 HZ3 LYS 24 23.490 9.720 9.502 113 H ASP 25 HN ASP 25 21.348 8.211 15.340 114 HA ASP 25 HA ASP 25 21.441 5.992 17.107 115 HB2 ASP 25 HB2 ASP 25 21.928 8.839 17.341 116 HB3 ASP 25 HB1 ASP 25 21.626 8.004 18.872 117 H CYS 26 HN CYS 26 18.992 8.195 16.261 118 HA CYS 26 HA CYS 26 17.145 7.104 18.296 119 HB2 CYS 26 HB2 CYS 26 17.435 9.911 17.348 120 HB3 CYS 26 HB1 CYS 26 16.232 9.360 18.504 121 H ILE 27 HN ILE 27 15.023 7.138 17.627 122 HA ILE 27 HA ILE 27 14.721 7.360 14.730 123 HB ILE 27 HB ILE 27 14.905 4.946 15.632 124 HG12 ILE 27 HG12 ILE 27 12.277 5.330 14.270 125 HG13 ILE 27 HG11 ILE 27 13.719 5.839 13.408 126 HG21 ILE 27 HG21 ILE 27 12.926 3.941 16.494 127 HG22 ILE 27 HG22 ILE 27 12.195 5.553 16.624 128 HG23 ILE 27 HG23 ILE 27 13.635 5.152 17.581 129 HD11 ILE 27 HD11 ILE 27 13.028 3.569 12.827 130 HD12 ILE 27 HD12 ILE 27 13.300 3.069 14.523 131 HD13 ILE 27 HD13 ILE 27 14.625 3.654 13.532 132 H ILE 28 HN ILE 28 12.879 8.345 14.044 133 HA ILE 28 HA ILE 28 11.127 9.257 16.215 134 HB ILE 28 HB ILE 28 11.964 10.934 13.844 135 HG12 ILE 28 HG12 ILE 28 13.992 10.675 15.147 136 HG13 ILE 28 HG11 ILE 28 13.356 12.290 15.390 137 HG21 ILE 28 HG21 ILE 28 9.854 11.524 14.740 138 HG22 ILE 28 HG22 ILE 28 11.020 12.787 15.153 139 HG23 ILE 28 HG23 ILE 28 10.513 11.604 16.372 140 HD11 ILE 28 HD11 ILE 28 12.518 11.588 17.616 141 HD12 ILE 28 HD12 ILE 28 14.260 11.333 17.439 142 HD13 ILE 28 HD13 ILE 28 13.171 9.976 17.312 143 H GLN 29 HN GLN 29 9.259 8.356 15.779 144 HA GLN 29 HA GLN 29 8.586 7.946 12.978 145 HB2 GLN 29 HB2 GLN 29 7.755 6.459 15.439 146 HB3 GLN 29 HB1 GLN 29 6.849 6.344 13.933 147 HG2 GLN 29 HG2 GLN 29 8.942 5.602 12.791 148 HG3 GLN 29 HG1 GLN 29 9.764 5.689 14.332 149 HE21 GLN 29 HE21 GLN 29 6.495 4.494 14.189 150 HE22 GLN 29 HE22 GLN 29 6.896 2.845 14.473 151 H ARG 30 HN ARG 30 6.903 8.834 12.074 152 HA ARG 30 HA ARG 30 5.612 10.910 13.664 153 HB2 ARG 30 HB2 ARG 30 6.856 11.408 11.545 154 HB3 ARG 30 HB1 ARG 30 5.637 10.467 10.697 155 HG2 ARG 30 HG2 ARG 30 3.920 12.076 11.757 156 HG3 ARG 30 HG1 ARG 30 5.410 12.998 12.130 157 HD2 ARG 30 HD2 ARG 30 5.924 13.409 9.948 158 HD3 ARG 30 HD1 ARG 30 4.874 12.121 9.347 159 HE ARG 30 HE ARG 30 3.268 14.032 10.568 160 HH11 ARG 30 HH11 ARG 30 5.384 13.723 7.761 161 HH12 ARG 30 HH12 ARG 30 4.651 15.011 6.913 162 HH21 ARG 30 HH21 ARG 30 2.088 15.689 9.252 163 HH22 ARG 30 HH22 ARG 30 2.716 16.008 7.717 164 H TYR 31 HN TYR 31 3.669 10.306 14.389 165 HA TYR 31 HA TYR 31 2.053 8.445 12.869 166 HB2 TYR 31 HB2 TYR 31 2.030 9.386 15.655 167 HB3 TYR 31 HB1 TYR 31 0.558 8.617 14.999 168 HD1 TYR 31 HD1 TYR 31 4.200 8.279 15.583 169 HD2 TYR 31 HD2 TYR 31 0.482 6.293 15.122 170 HE1 TYR 31 HE1 TYR 31 5.264 6.216 16.238 171 HE2 TYR 31 HE2 TYR 31 1.498 4.200 15.774 172 HH TYR 31 HH TYR 31 4.603 3.970 17.177 173 H LYS 32 HN LYS 32 0.406 9.103 11.686 174 HA LYS 32 HA LYS 32 -0.650 11.775 12.031 175 HB2 LYS 32 HB2 LYS 32 1.143 11.302 10.178 176 HB3 LYS 32 HB1 LYS 32 -0.206 10.421 9.479 177 HG2 LYS 32 HG2 LYS 32 -0.303 13.341 10.108 178 HG3 LYS 32 HG1 LYS 32 0.230 12.637 8.575 179 HD2 LYS 32 HD2 LYS 32 -1.916 11.554 8.269 180 HD3 LYS 32 HD1 LYS 32 -2.494 12.207 9.795 181 HE2 LYS 32 HE2 LYS 32 -2.259 14.485 8.861 182 HE3 LYS 32 HE1 LYS 32 -1.711 13.768 7.342 183 HZ1 LYS 32 HZ1 LYS 32 -3.858 12.608 7.206 184 HZ2 LYS 32 HZ2 LYS 32 -4.049 14.280 7.178 185 HZ3 LYS 32 HZ3 LYS 32 -4.386 13.406 8.584 186 H ASP 33 HN ASP 33 -2.805 11.568 12.184 187 HA ASP 33 HA ASP 33 -4.901 10.707 12.366 188 HB2 ASP 33 HB2 ASP 33 -4.114 9.085 10.027 189 HB3 ASP 33 HB1 ASP 33 -5.770 9.272 10.588 190 H GLY 34 HN GLY 34 -2.801 9.414 13.830 191 HA2 GLY 34 HA2 GLY 34 -2.883 7.782 15.436 192 HA3 GLY 34 HA1 GLY 34 -4.334 7.152 14.649 193 H ASP 35 HN ASP 35 -1.988 7.339 12.204 194 HA ASP 35 HA ASP 35 -0.965 4.721 12.900 195 HB2 ASP 35 HB2 ASP 35 -0.919 4.190 10.561 196 HB3 ASP 35 HB1 ASP 35 -2.576 4.394 11.089 197 H VAL 36 HN VAL 36 1.001 4.308 11.929 198 HA VAL 36 HA VAL 36 2.631 6.663 12.175 199 HB VAL 36 HB VAL 36 3.489 4.664 13.208 200 HG11 VAL 36 HG11 VAL 36 2.501 2.970 11.832 201 HG12 VAL 36 HG12 VAL 36 4.240 2.702 11.938 202 HG13 VAL 36 HG13 VAL 36 3.534 3.411 10.477 203 HG21 VAL 36 HG21 VAL 36 5.157 5.477 10.848 204 HG22 VAL 36 HG22 VAL 36 5.760 4.623 12.281 205 HG23 VAL 36 HG23 VAL 36 5.103 6.256 12.428 206 H ASN 37 HN ASN 37 2.907 7.974 10.593 207 HA ASN 37 HA ASN 37 2.102 7.173 7.919 208 HB2 ASN 37 HB2 ASN 37 1.234 9.163 9.085 209 HB3 ASN 37 HB1 ASN 37 2.822 9.877 8.841 210 HD21 ASN 37 HD21 ASN 37 1.055 7.793 6.616 211 HD22 ASN 37 HD22 ASN 37 0.920 8.939 5.352 212 H ASN 38 HN ASN 38 4.829 8.722 9.578 213 HA ASN 38 HA ASN 38 6.459 8.049 7.290 214 HB2 ASN 38 HB2 ASN 38 6.689 10.520 8.995 215 HB3 ASN 38 HB1 ASN 38 7.822 9.994 7.768 216 HD21 ASN 38 HD21 ASN 38 7.398 10.443 5.619 217 HD22 ASN 38 HD22 ASN 38 6.058 11.403 5.123 218 H ILE 39 HN ILE 39 8.580 7.598 7.824 219 HA ILE 39 HA ILE 39 9.137 7.077 10.643 220 HB ILE 39 HB ILE 39 9.855 5.357 8.240 221 HG12 ILE 39 HG12 ILE 39 8.954 3.473 9.672 222 HG13 ILE 39 HG11 ILE 39 8.380 4.690 10.794 223 HG21 ILE 39 HG21 ILE 39 11.055 5.126 10.996 224 HG22 ILE 39 HG22 ILE 39 11.889 5.506 9.487 225 HG23 ILE 39 HG23 ILE 39 11.176 3.918 9.725 226 HD11 ILE 39 HD11 ILE 39 6.595 3.882 9.391 227 HD12 ILE 39 HD12 ILE 39 7.495 4.325 7.937 228 HD13 ILE 39 HD13 ILE 39 6.917 5.578 9.040 229 H TYR 40 HN TYR 40 10.674 8.404 11.299 230 HA TYR 40 HA TYR 40 12.691 9.313 9.370 231 HB2 TYR 40 HB2 TYR 40 11.743 10.819 11.839 232 HB3 TYR 40 HB1 TYR 40 12.855 11.383 10.606 233 HD1 TYR 40 HD2 TYR 40 11.709 11.458 8.147 234 HD2 TYR 40 HD1 TYR 40 9.595 11.718 11.852 235 HE1 TYR 40 HE2 TYR 40 9.875 12.633 7.030 236 HE2 TYR 40 HE1 TYR 40 7.797 12.887 10.726 237 HH TYR 40 HH TYR 40 7.511 14.277 8.749 238 H THR 41 HN THR 41 14.746 9.816 10.557 239 HA THR 41 HA THR 41 14.992 8.791 13.192 240 HB THR 41 HB THR 41 15.391 6.757 12.345 241 HG1 THR 41 HG1 THR 41 17.121 7.225 13.607 242 HG21 THR 41 HG21 THR 41 16.902 7.891 9.954 243 HG22 THR 41 HG22 THR 41 15.292 7.127 9.990 244 HG23 THR 41 HG23 THR 41 16.699 6.175 10.330 245 H ALA 42 HN ALA 42 16.775 9.595 14.220 246 HA ALA 42 HA ALA 42 18.374 11.635 12.873 247 HB1 ALA 42 HB1 ALA 42 16.496 12.245 15.160 248 HB2 ALA 42 HB2 ALA 42 16.324 12.864 13.520 249 HB3 ALA 42 HB3 ALA 42 17.691 13.363 14.519 250 H ASN 43 HN ASN 43 20.093 12.318 14.339 251 HA ASN 43 HA ASN 43 20.747 10.224 16.211 252 HB2 ASN 43 HB2 ASN 43 22.271 12.638 15.295 253 HB3 ASN 43 HB1 ASN 43 22.821 11.652 16.640 254 HD21 ASN 43 HD21 ASN 43 24.138 12.115 14.171 255 HD22 ASN 43 HD22 ASN 43 24.339 10.574 13.427 256 H ARG 44 HN ARG 44 21.519 10.643 18.321 257 HA ARG 44 HA ARG 44 19.946 12.235 19.976 258 HB2 ARG 44 HB2 ARG 44 22.085 11.837 21.526 259 HB3 ARG 44 HB1 ARG 44 20.965 10.536 21.132 260 HG2 ARG 44 HG2 ARG 44 22.434 9.702 19.462 261 HG3 ARG 44 HG1 ARG 44 23.529 11.046 19.628 262 HD2 ARG 44 HD2 ARG 44 24.141 10.294 21.839 263 HD3 ARG 44 HD1 ARG 44 22.901 9.038 21.792 264 HE ARG 44 HE ARG 44 24.073 7.985 19.961 265 HH11 ARG 44 HH11 ARG 44 26.075 10.139 21.931 266 HH12 ARG 44 HH12 ARG 44 27.517 9.569 21.253 267 HH21 ARG 44 HH21 ARG 44 25.968 7.265 19.056 268 HH22 ARG 44 HH22 ARG 44 27.479 7.885 19.547 269 H ASN 45 HN ASN 45 19.854 14.336 19.820 270 HA ASN 45 HA ASN 45 20.369 16.491 19.866 271 HB2 ASN 45 HB2 ASN 45 23.234 15.727 19.990 272 HB3 ASN 45 HB1 ASN 45 22.552 17.353 20.213 273 HD21 ASN 45 HD21 ASN 45 24.107 15.350 21.991 274 HD22 ASN 45 HD22 ASN 45 23.214 15.386 23.466 275 H GLU 46 HN GLU 46 19.451 15.984 17.713 276 HA GLU 46 HA GLU 46 21.036 17.134 15.653 277 HB2 GLU 46 HB2 GLU 46 21.604 14.758 15.449 278 HB3 GLU 46 HB1 GLU 46 19.902 14.326 15.507 279 HG2 GLU 46 HG2 GLU 46 19.491 15.285 13.416 280 HG3 GLU 46 HG1 GLU 46 21.062 16.087 13.445 281 H GLU 47 HN GLU 47 19.704 18.071 14.108 282 HA GLU 47 HA GLU 47 16.909 18.197 14.882 283 HB2 GLU 47 HB2 GLU 47 18.107 20.167 15.421 284 HB3 GLU 47 HB1 GLU 47 18.808 20.250 13.811 285 HG2 GLU 47 HG2 GLU 47 16.582 20.769 12.937 286 HG3 GLU 47 HG1 GLU 47 15.954 20.734 14.594 287 H ILE 48 HN ILE 48 15.427 17.904 13.306 288 HA ILE 48 HA ILE 48 16.305 17.501 10.582 289 HB ILE 48 HB ILE 48 14.452 15.926 10.374 290 HG12 ILE 48 HG12 ILE 48 13.892 16.563 13.276 291 HG13 ILE 48 HG11 ILE 48 12.919 16.965 11.868 292 HG21 ILE 48 HG21 ILE 48 16.169 15.324 12.791 293 HG22 ILE 48 HG22 ILE 48 16.579 14.972 11.112 294 HG23 ILE 48 HG23 ILE 48 15.247 14.125 11.892 295 HD11 ILE 48 HD11 ILE 48 11.981 15.062 13.073 296 HD12 ILE 48 HD12 ILE 48 13.471 14.153 12.756 297 HD13 ILE 48 HD13 ILE 48 12.446 14.673 11.415 298 H THR 49 HN THR 49 14.028 17.723 9.201 299 HA THR 49 HA THR 49 12.418 19.804 10.353 300 HB THR 49 HB THR 49 13.121 19.991 7.516 301 HG1 THR 49 HG1 THR 49 14.720 20.543 9.758 302 HG21 THR 49 HG21 THR 49 12.459 22.016 9.639 303 HG22 THR 49 HG22 THR 49 11.349 21.387 8.425 304 HG23 THR 49 HG23 THR 49 12.716 22.409 7.941 305 H ILE 50 HN ILE 50 10.330 19.536 9.885 306 HA ILE 50 HA ILE 50 9.593 17.428 7.989 307 HB ILE 50 HB ILE 50 8.272 18.004 10.651 308 HG12 ILE 50 HG12 ILE 50 9.709 15.523 9.720 309 HG13 ILE 50 HG11 ILE 50 10.453 16.789 10.692 310 HG21 ILE 50 HG21 ILE 50 7.590 15.997 8.503 311 HG22 ILE 50 HG22 ILE 50 6.613 17.374 9.004 312 HG23 ILE 50 HG23 ILE 50 6.867 16.026 10.112 313 HD11 ILE 50 HD11 ILE 50 8.785 16.337 12.466 314 HD12 ILE 50 HD12 ILE 50 9.740 14.904 12.081 315 HD13 ILE 50 HD13 ILE 50 8.097 15.063 11.465 316 H GLU 51 HN GLU 51 8.613 18.676 6.366 317 HA GLU 51 HA GLU 51 7.395 20.235 5.311 318 HB2 GLU 51 HB2 GLU 51 5.557 19.385 7.498 319 HB3 GLU 51 HB1 GLU 51 5.067 20.629 6.363 320 HG2 GLU 51 HG2 GLU 51 4.189 18.661 5.579 321 HG3 GLU 51 HG1 GLU 51 5.560 19.008 4.532 322 H GLU 52 HN GLU 52 9.267 21.517 6.474 323 HA GLU 52 HA GLU 52 10.037 23.511 7.036 324 HB2 GLU 52 HB2 GLU 52 7.184 24.374 6.656 325 HB3 GLU 52 HB1 GLU 52 8.503 25.507 6.899 326 HG2 GLU 52 HG2 GLU 52 8.253 23.584 4.610 327 HG3 GLU 52 HG1 GLU 52 7.907 25.326 4.675 328 H TYR 53 HN TYR 53 8.350 21.705 9.094 329 HA TYR 53 HA TYR 53 8.577 23.589 11.321 330 HB2 TYR 53 HB2 TYR 53 7.498 20.755 11.339 331 HB3 TYR 53 HB1 TYR 53 7.287 21.989 12.569 332 HD1 TYR 53 HD1 TYR 53 6.185 24.250 11.408 333 HD2 TYR 53 HD2 TYR 53 5.582 20.214 10.199 334 HE1 TYR 53 HE1 TYR 53 4.031 24.872 10.401 335 HE2 TYR 53 HE2 TYR 53 3.439 20.825 9.192 336 HH TYR 53 HH TYR 53 2.539 24.074 8.732 337 H LYS 54 HN LYS 54 10.667 23.543 12.070 338 HA LYS 54 HA LYS 54 12.168 21.172 11.712 339 HB2 LYS 54 HB2 LYS 54 13.992 22.309 12.941 340 HB3 LYS 54 HB1 LYS 54 13.456 23.081 11.459 341 HG2 LYS 54 HG2 LYS 54 13.914 24.707 13.060 342 HG3 LYS 54 HG1 LYS 54 12.161 24.602 12.703 343 HD2 LYS 54 HD2 LYS 54 12.456 25.067 15.083 344 HD3 LYS 54 HD1 LYS 54 11.906 23.405 14.887 345 HE2 LYS 54 HE2 LYS 54 13.665 23.504 16.535 346 HE3 LYS 54 HE1 LYS 54 14.234 22.635 15.109 347 HZ1 LYS 54 HZ1 LYS 54 15.941 24.042 15.665 348 HZ2 LYS 54 HZ2 LYS 54 14.949 25.364 16.001 349 HZ3 LYS 54 HZ3 LYS 54 15.204 24.872 14.401 350 H VAL 55 HN VAL 55 13.320 20.205 13.265 351 HA VAL 55 HA VAL 55 11.902 19.785 15.807 352 HB VAL 55 HB VAL 55 12.265 17.579 13.767 353 HG11 VAL 55 HG11 VAL 55 11.194 17.408 16.573 354 HG12 VAL 55 HG12 VAL 55 12.726 16.755 15.984 355 HG13 VAL 55 HG13 VAL 55 11.204 16.097 15.383 356 HG21 VAL 55 HG21 VAL 55 9.827 17.344 13.887 357 HG22 VAL 55 HG22 VAL 55 10.329 18.920 13.268 358 HG23 VAL 55 HG23 VAL 55 9.758 18.766 14.932 359 H PHE 56 HN PHE 56 13.423 19.704 17.311 360 HA PHE 56 HA PHE 56 16.084 18.665 16.601 361 HB2 PHE 56 HB2 PHE 56 16.210 20.917 17.429 362 HB3 PHE 56 HB1 PHE 56 15.143 20.512 18.781 363 HD1 PHE 56 HD1 PHE 56 18.459 19.696 17.318 364 HD2 PHE 56 HD2 PHE 56 16.059 19.883 20.818 365 HE1 PHE 56 HE1 PHE 56 20.406 19.142 18.665 366 HE2 PHE 56 HE2 PHE 56 17.990 19.332 22.192 367 HZ PHE 56 HZ PHE 56 20.198 18.955 21.125 368 H VAL 57 HN VAL 57 16.608 16.791 17.267 369 HA VAL 57 HA VAL 57 15.025 15.450 19.311 370 HB VAL 57 HB VAL 57 17.098 14.357 17.392 371 HG11 VAL 57 HG11 VAL 57 16.886 13.019 19.436 372 HG12 VAL 57 HG12 VAL 57 16.234 12.152 18.047 373 HG13 VAL 57 HG13 VAL 57 15.144 12.924 19.196 374 HG21 VAL 57 HG21 VAL 57 15.176 13.408 16.188 375 HG22 VAL 57 HG22 VAL 57 15.130 15.173 16.216 376 HG23 VAL 57 HG23 VAL 57 14.094 14.243 17.300 377 H ASN 58 HN ASN 58 15.819 15.472 21.291 378 HA ASN 58 HA ASN 58 18.520 16.250 21.842 379 HB2 ASN 58 HB2 ASN 58 16.686 17.101 23.213 380 HB3 ASN 58 HB1 ASN 58 16.194 15.460 23.647 381 HD21 ASN 58 HD21 ASN 58 16.332 15.951 25.854 382 HD22 ASN 58 HD22 ASN 58 17.844 16.140 26.636 383 H GLU 59 HN GLU 59 19.530 14.849 23.657 384 HA GLU 59 HA GLU 59 20.313 12.504 22.286 385 HB2 GLU 59 HB2 GLU 59 21.959 12.150 24.104 386 HB3 GLU 59 HB1 GLU 59 22.053 13.670 23.238 387 HG2 GLU 59 HG2 GLU 59 20.798 14.704 25.125 388 HG3 GLU 59 HG1 GLU 59 21.017 13.190 26.010 389 H ALA 60 HN ALA 60 17.791 12.722 24.399 390 HA ALA 60 HA ALA 60 18.060 9.908 25.014 391 HB1 ALA 60 HB1 ALA 60 16.051 10.083 26.335 392 HB2 ALA 60 HB2 ALA 60 15.848 11.769 25.849 393 HB3 ALA 60 HB3 ALA 60 17.246 11.275 26.846 394 H CYS 61 HN CYS 61 17.427 11.385 22.407 395 HA CYS 61 HA CYS 61 16.422 10.876 20.454 396 HB2 CYS 61 HB2 CYS 61 15.573 8.398 21.956 397 HB3 CYS 61 HB1 CYS 61 15.463 8.594 20.207 398 H HIS 62 HN HIS 62 15.316 12.486 22.130 399 HA HIS 62 HA HIS 62 12.443 12.024 21.654 400 HB2 HIS 62 HB2 HIS 62 13.193 12.079 24.103 401 HB3 HIS 62 HB1 HIS 62 13.494 13.794 23.853 402 HD1 HIS 62 HD1 HIS 62 11.630 14.893 25.169 403 HD2 HIS 62 HD2 HIS 62 10.301 11.749 22.796 404 HE1 HIS 62 HE1 HIS 62 9.130 14.880 25.376 405 HA PRO 63 HA PRO 63 13.061 15.578 19.015 406 HB2 PRO 63 HB2 PRO 63 10.793 15.357 17.667 407 HB3 PRO 63 HB1 PRO 63 12.047 14.113 17.497 408 HG2 PRO 63 HG2 PRO 63 9.551 14.024 19.106 409 HG3 PRO 63 HG1 PRO 63 10.289 12.769 18.092 410 HD2 PRO 63 HD2 PRO 63 10.584 12.869 20.812 411 HD3 PRO 63 HD1 PRO 63 11.744 12.126 19.685 412 H TYR 64 HN TYR 64 12.489 17.644 19.015 413 HA TYR 64 HA TYR 64 9.974 18.384 20.240 414 HB2 TYR 64 HB2 TYR 64 12.598 19.778 20.581 415 HB3 TYR 64 HB1 TYR 64 11.054 20.602 20.823 416 HD1 TYR 64 HD1 TYR 64 9.540 19.876 22.584 417 HD2 TYR 64 HD2 TYR 64 13.383 18.320 22.012 418 HE1 TYR 64 HE1 TYR 64 9.517 19.054 24.944 419 HE2 TYR 64 HE2 TYR 64 13.441 17.449 24.376 420 HH TYR 64 HH TYR 64 10.683 17.292 26.255 421 HA PRO 65 HA PRO 65 8.579 19.612 20.343 422 HB2 PRO 65 HB2 PRO 65 6.265 20.165 19.120 423 HB3 PRO 65 HB1 PRO 65 7.373 21.452 19.644 424 HG2 PRO 65 HG2 PRO 65 6.949 20.304 16.990 425 HG3 PRO 65 HG1 PRO 65 7.264 22.021 17.485 426 HD2 PRO 65 HD2 PRO 65 9.128 20.273 16.368 427 HD3 PRO 65 HD1 PRO 65 9.493 21.717 17.328 428 H VAL 66 HN VAL 66 6.883 18.065 20.774 429 HA VAL 66 HA VAL 66 7.292 15.628 19.292 430 HB VAL 66 HB VAL 66 5.633 16.174 21.765 431 HG11 VAL 66 HG11 VAL 66 6.565 13.544 20.581 432 HG12 VAL 66 HG12 VAL 66 4.910 14.132 20.586 433 HG13 VAL 66 HG13 VAL 66 5.705 13.725 22.108 434 HG21 VAL 66 HG21 VAL 66 7.973 16.644 22.132 435 HG22 VAL 66 HG22 VAL 66 8.420 15.089 21.461 436 HG23 VAL 66 HG23 VAL 66 7.535 15.161 22.985 437 H ILE 67 HN ILE 67 4.697 17.924 19.919 438 HA ILE 67 HA ILE 67 3.229 16.543 17.856 439 HB ILE 67 HB ILE 67 2.113 18.467 19.911 440 HG12 ILE 67 HG12 ILE 67 2.196 16.254 20.793 441 HG13 ILE 67 HG11 ILE 67 0.536 16.695 20.254 442 HG21 ILE 67 HG21 ILE 67 1.058 18.978 17.743 443 HG22 ILE 67 HG22 ILE 67 -0.088 18.219 18.855 444 HG23 ILE 67 HG23 ILE 67 0.645 17.271 17.569 445 HD11 ILE 67 HD11 ILE 67 2.401 14.914 18.736 446 HD12 ILE 67 HD12 ILE 67 0.740 15.329 18.320 447 HD13 ILE 67 HD13 ILE 67 1.068 14.357 19.752 448 H LEU 68 HN LEU 68 3.011 17.356 16.109 449 HA LEU 68 HA LEU 68 4.296 19.941 15.547 450 HB2 LEU 68 HB2 LEU 68 3.202 17.882 13.640 451 HB3 LEU 68 HB1 LEU 68 3.947 19.377 13.128 452 HG LEU 68 HG LEU 68 5.259 17.035 14.484 453 HD11 LEU 68 HD11 LEU 68 4.865 16.859 12.101 454 HD12 LEU 68 HD12 LEU 68 6.598 17.056 12.435 455 HD13 LEU 68 HD13 LEU 68 5.642 18.421 11.856 456 HD21 LEU 68 HD21 LEU 68 7.354 18.330 14.367 457 HD22 LEU 68 HD22 LEU 68 6.191 19.060 15.466 458 HD23 LEU 68 HD23 LEU 68 6.439 19.752 13.861 459 HA PRO 69 HA PRO 69 0.524 22.275 14.913 460 HB2 PRO 69 HB2 PRO 69 1.299 23.147 12.253 461 HB3 PRO 69 HB1 PRO 69 1.112 24.136 13.722 462 HG2 PRO 69 HG2 PRO 69 3.536 23.769 12.776 463 HG3 PRO 69 HG1 PRO 69 3.232 23.617 14.529 464 HD2 PRO 69 HD2 PRO 69 3.384 21.433 12.489 465 HD3 PRO 69 HD1 PRO 69 4.313 21.517 13.989 466 H ASP 70 HN ASP 70 1.475 20.005 12.693 467 HA ASP 70 HA ASP 70 -0.971 19.751 11.211 468 HB2 ASP 70 HB2 ASP 70 1.149 19.405 10.100 469 HB3 ASP 70 HB1 ASP 70 1.664 18.267 11.324 470 H ARG 71 HN ARG 71 -0.050 19.133 14.239 471 HA ARG 71 HA ARG 71 -0.521 17.899 16.030 472 HB2 ARG 71 HB2 ARG 71 -2.856 18.416 15.074 473 HB3 ARG 71 HB1 ARG 71 -2.846 16.757 14.527 474 HG2 ARG 71 HG2 ARG 71 -2.129 16.356 17.082 475 HG3 ARG 71 HG1 ARG 71 -3.068 17.851 17.210 476 HD2 ARG 71 HD2 ARG 71 -4.505 15.910 17.533 477 HD3 ARG 71 HD1 ARG 71 -4.933 16.771 16.048 478 HE ARG 71 HE ARG 71 -2.979 14.724 15.729 479 HH11 ARG 71 HH11 ARG 71 -6.434 15.422 15.750 480 HH12 ARG 71 HH12 ARG 71 -6.883 14.099 14.781 481 HH21 ARG 71 HH21 ARG 71 -3.600 12.872 14.357 482 HH22 ARG 71 HH22 ARG 71 -5.237 12.651 13.938 483 H SER 72 HN SER 72 1.081 16.871 13.812 484 HA SER 72 HA SER 72 0.776 14.083 13.664 485 HB2 SER 72 HB2 SER 72 3.478 15.225 13.410 486 HB3 SER 72 HB1 SER 72 2.489 14.317 12.237 487 HG SER 72 HG SER 72 1.559 16.158 11.535 488 H VAL 73 HN VAL 73 1.535 12.633 14.945 489 HA VAL 73 HA VAL 73 2.457 13.258 17.631 490 HB VAL 73 HB VAL 73 1.322 10.950 16.125 491 HG11 VAL 73 HG11 VAL 73 2.460 10.725 18.942 492 HG12 VAL 73 HG12 VAL 73 3.094 9.952 17.479 493 HG13 VAL 73 HG13 VAL 73 1.523 9.476 18.094 494 HG21 VAL 73 HG21 VAL 73 0.433 12.297 18.625 495 HG22 VAL 73 HG22 VAL 73 -0.327 10.881 17.890 496 HG23 VAL 73 HG23 VAL 73 -0.288 12.411 17.005 497 H LEU 74 HN LEU 74 4.664 13.351 17.854 498 HA LEU 74 HA LEU 74 6.116 11.476 16.188 499 HB2 LEU 74 HB2 LEU 74 6.876 14.084 17.316 500 HB3 LEU 74 HB1 LEU 74 8.114 12.832 17.333 501 HG LEU 74 HG LEU 74 8.057 12.625 14.987 502 HD11 LEU 74 HD11 LEU 74 6.586 13.950 13.563 503 HD12 LEU 74 HD12 LEU 74 5.722 14.516 15.019 504 HD13 LEU 74 HD13 LEU 74 5.719 12.810 14.589 505 HD21 LEU 74 HD21 LEU 74 9.382 14.465 15.872 506 HD22 LEU 74 HD22 LEU 74 7.990 15.543 15.757 507 HD23 LEU 74 HD23 LEU 74 8.718 14.879 14.294 508 H SER 75 HN SER 75 6.777 9.750 16.818 509 HA SER 75 HA SER 75 7.058 9.256 19.702 510 HB2 SER 75 HB2 SER 75 7.032 7.319 17.357 511 HB3 SER 75 HB1 SER 75 7.202 6.841 19.048 512 HG SER 75 HG SER 75 5.181 7.966 19.378 513 H GLY 76 HN GLY 76 9.016 9.468 20.538 514 HA2 GLY 76 HA2 GLY 76 11.312 9.325 18.703 515 HA3 GLY 76 HA1 GLY 76 11.148 10.411 20.086 516 H ASP 77 HN ASP 77 12.395 7.442 19.067 517 HA ASP 77 HA ASP 77 13.086 6.867 21.836 518 HB2 ASP 77 HB2 ASP 77 11.821 4.848 19.981 519 HB3 ASP 77 HB1 ASP 77 12.634 4.447 21.480 520 H PHE 78 HN PHE 78 14.588 4.931 21.703 521 HA PHE 78 HA PHE 78 16.719 5.744 19.957 522 HB2 PHE 78 HB2 PHE 78 16.338 3.572 21.914 523 HB3 PHE 78 HB1 PHE 78 17.858 3.703 21.038 524 HD1 PHE 78 HD2 PHE 78 15.605 5.397 23.568 525 HD2 PHE 78 HD1 PHE 78 19.531 5.322 21.847 526 HE1 PHE 78 HE2 PHE 78 16.404 6.911 25.283 527 HE2 PHE 78 HE1 PHE 78 20.305 6.838 23.589 528 HZ PHE 78 HZ PHE 78 18.749 7.641 25.314 529 H THR 79 HN THR 79 17.448 4.610 18.109 530 HA THR 79 HA THR 79 15.633 3.242 16.521 531 HB THR 79 HB THR 79 18.491 2.895 16.150 532 HG1 THR 79 HG1 THR 79 18.758 5.084 15.771 533 HG21 THR 79 HG21 THR 79 16.345 4.085 14.427 534 HG22 THR 79 HG22 THR 79 16.849 2.384 14.403 535 HG23 THR 79 HG23 THR 79 17.983 3.663 13.941 536 H SER 80 HN SER 80 17.799 2.054 18.967 537 HA SER 80 HA SER 80 18.304 -0.496 17.871 538 HB2 SER 80 HB2 SER 80 18.968 -0.745 20.406 539 HB3 SER 80 HB1 SER 80 19.933 0.267 19.311 540 HG SER 80 HG SER 80 19.529 1.706 20.798 541 H ALA 81 HN ALA 81 15.798 0.908 19.792 542 HA ALA 81 HA ALA 81 14.739 -1.714 20.328 543 HB1 ALA 81 HB1 ALA 81 14.796 -0.119 22.204 544 HB2 ALA 81 HB2 ALA 81 13.130 -0.587 21.845 545 HB3 ALA 81 HB3 ALA 81 13.751 0.973 21.299 546 H TYR 82 HN TYR 82 14.780 -0.282 17.759 547 HA TYR 82 HA TYR 82 12.064 -0.723 16.922 548 HB2 TYR 82 HB2 TYR 82 13.546 1.788 16.832 549 HB3 TYR 82 HB1 TYR 82 12.414 1.457 15.531 550 HD1 TYR 82 HD1 TYR 82 12.757 1.973 19.186 551 HD2 TYR 82 HD2 TYR 82 10.093 1.818 15.898 552 HE1 TYR 82 HE1 TYR 82 10.994 2.907 20.582 553 HE2 TYR 82 HE2 TYR 82 8.300 2.759 17.283 554 HH TYR 82 HH TYR 82 8.972 4.191 20.286 555 H ALA 83 HN ALA 83 12.151 0.053 14.402 556 HA ALA 83 HA ALA 83 12.704 -0.392 12.331 557 HB1 ALA 83 HB1 ALA 83 14.374 1.309 12.788 558 HB2 ALA 83 HB2 ALA 83 14.832 0.147 11.530 559 HB3 ALA 83 HB3 ALA 83 15.539 0.014 13.151 560 H ASP 84 HN ASP 84 12.170 -2.256 11.818 561 HA ASP 84 HA ASP 84 13.813 -4.512 12.475 562 HB2 ASP 84 HB2 ASP 84 11.198 -4.491 10.953 563 HB3 ASP 84 HB1 ASP 84 12.033 -5.909 11.578 564 H ASP 85 HN ASP 85 15.410 -3.604 11.346 565 HA ASP 85 HA ASP 85 15.976 -4.440 8.685 566 HB2 ASP 85 HB2 ASP 85 14.737 -2.448 8.007 567 HB3 ASP 85 HB1 ASP 85 15.529 -1.480 9.244 568 H ASP 86 HN ASP 86 16.548 -2.346 11.427 569 HA ASP 86 HA ASP 86 19.383 -2.339 11.294 570 HB2 ASP 86 HB2 ASP 86 18.205 -0.591 12.507 571 HB3 ASP 86 HB1 ASP 86 17.447 -1.779 13.559 572 H GLU 87 HN GLU 87 20.756 -3.855 12.027 573 HA GLU 87 HA GLU 87 19.566 -6.223 13.185 574 HB2 GLU 87 HB2 GLU 87 22.003 -5.740 11.616 575 HB3 GLU 87 HB1 GLU 87 21.747 -7.303 12.419 576 HG2 GLU 87 HG2 GLU 87 19.649 -7.566 11.165 577 HG3 GLU 87 HG1 GLU 87 19.909 -6.004 10.399 578 H SER 88 HN SER 88 20.362 -7.215 14.994 579 HA SER 88 HA SER 88 21.364 -5.424 16.984 580 HB2 SER 88 HB2 SER 88 20.656 -8.361 17.139 581 HB3 SER 88 HB1 SER 88 20.854 -7.263 18.508 582 HG SER 88 HG SER 88 19.229 -5.960 17.311 583 H CYS 89 HN CYS 89 22.671 -7.906 14.988 584 HA CYS 89 HA CYS 89 25.264 -7.388 16.161 585 HB2 CYS 89 HB2 CYS 89 25.807 -9.851 15.743 586 HB3 CYS 89 HB1 CYS 89 24.759 -9.506 17.108 587 HG CYS 89 HG CYS 89 23.859 -10.744 14.079 Start of MODEL 19 1 H GLY 11 HT1 GLY 11 8.564 3.817 -6.524 2 HA2 GLY 11 HA1 GLY 11 9.410 5.477 -5.022 3 HA3 GLY 11 HA2 GLY 11 7.746 5.937 -4.642 4 H ARG 12 HN ARG 12 8.486 5.312 -2.376 5 HA ARG 12 HA ARG 12 8.485 3.899 -0.564 6 HB2 ARG 12 HB2 ARG 12 6.219 3.469 -1.505 7 HB3 ARG 12 HB1 ARG 12 6.880 2.187 -2.484 8 HG2 ARG 12 HG2 ARG 12 5.709 1.159 -0.722 9 HG3 ARG 12 HG1 ARG 12 7.413 0.977 -0.345 10 HD2 ARG 12 HD2 ARG 12 5.686 3.154 0.830 11 HD3 ARG 12 HD1 ARG 12 5.852 1.568 1.557 12 HE ARG 12 HE ARG 12 8.309 3.058 1.120 13 HH11 ARG 12 HH11 ARG 12 5.746 2.144 3.402 14 HH12 ARG 12 HH12 ARG 12 6.701 2.451 4.782 15 HH21 ARG 12 HH21 ARG 12 9.549 3.543 3.016 16 HH22 ARG 12 HH22 ARG 12 8.886 3.279 4.557 17 H GLU 13 HN GLU 13 10.678 3.835 -2.345 18 HA GLU 13 HA GLU 13 11.124 1.113 -3.134 19 HB2 GLU 13 HB2 GLU 13 11.622 3.158 -4.569 20 HB3 GLU 13 HB1 GLU 13 13.069 3.344 -3.581 21 HG2 GLU 13 HG2 GLU 13 13.577 2.098 -5.595 22 HG3 GLU 13 HG1 GLU 13 13.748 1.054 -4.174 23 H ASN 14 HN ASN 14 11.857 -0.226 -1.895 24 HA ASN 14 HA ASN 14 14.157 0.390 -0.147 25 HB2 ASN 14 HB2 ASN 14 12.069 -0.085 1.154 26 HB3 ASN 14 HB1 ASN 14 11.959 -1.640 0.356 27 HD21 ASN 14 HD21 ASN 14 14.954 -0.138 1.584 28 HD22 ASN 14 HD22 ASN 14 15.230 -1.334 2.790 29 H LEU 15 HN LEU 15 12.316 -2.007 -1.911 30 HA LEU 15 HA LEU 15 12.798 -3.877 -3.034 31 HB2 LEU 15 HB2 LEU 15 15.381 -2.391 -3.407 32 HB3 LEU 15 HB1 LEU 15 15.116 -3.958 -4.159 33 HG LEU 15 HG LEU 15 13.531 -1.436 -4.665 34 HD11 LEU 15 HD11 LEU 15 15.590 -2.855 -6.354 35 HD12 LEU 15 HD12 LEU 15 15.815 -1.309 -5.535 36 HD13 LEU 15 HD13 LEU 15 14.638 -1.452 -6.840 37 HD21 LEU 15 HD21 LEU 15 12.165 -3.409 -4.978 38 HD22 LEU 15 HD22 LEU 15 13.437 -4.157 -5.947 39 HD23 LEU 15 HD23 LEU 15 12.603 -2.726 -6.545 40 H TYR 16 HN TYR 16 15.089 -5.486 -3.168 41 HA TYR 16 HA TYR 16 15.097 -6.382 -0.406 42 HB2 TYR 16 HB2 TYR 16 14.627 -7.903 -2.412 43 HB3 TYR 16 HB1 TYR 16 16.326 -7.719 -2.812 44 HD1 TYR 16 HD1 TYR 16 14.029 -8.889 -0.171 45 HD2 TYR 16 HD2 TYR 16 17.920 -9.164 -1.855 46 HE1 TYR 16 HE1 TYR 16 14.484 -10.845 1.230 47 HE2 TYR 16 HE2 TYR 16 18.394 -11.117 -0.440 48 HH TYR 16 HH TYR 16 17.584 -12.148 1.619 49 H PHE 17 HN PHE 17 16.328 -4.518 0.180 50 HA PHE 17 HA PHE 17 19.197 -4.937 -0.253 51 HB2 PHE 17 HB2 PHE 17 17.731 -2.334 -0.421 52 HB3 PHE 17 HB1 PHE 17 19.423 -2.373 0.044 53 HD1 PHE 17 HD2 PHE 17 21.108 -3.276 -1.539 54 HD2 PHE 17 HD1 PHE 17 17.080 -2.604 -2.644 55 HE1 PHE 17 HE2 PHE 17 21.764 -3.337 -3.911 56 HE2 PHE 17 HE1 PHE 17 17.711 -2.664 -5.034 57 HZ PHE 17 HZ PHE 17 20.067 -3.033 -5.660 58 H GLN 18 HN GLN 18 17.097 -5.438 1.977 59 HA GLN 18 HA GLN 18 18.154 -4.003 4.203 60 HB2 GLN 18 HB2 GLN 18 15.972 -5.503 4.059 61 HB3 GLN 18 HB1 GLN 18 17.070 -6.824 4.408 62 HG2 GLN 18 HG2 GLN 18 16.564 -4.420 6.159 63 HG3 GLN 18 HG1 GLN 18 15.893 -6.023 6.400 64 HE21 GLN 18 HE21 GLN 18 17.230 -7.647 7.232 65 HE22 GLN 18 HE22 GLN 18 18.753 -7.293 7.950 66 H GLY 19 HN GLY 19 20.156 -4.164 4.826 67 HA2 GLY 19 HA2 GLY 19 21.791 -6.217 5.394 68 HA3 GLY 19 HA1 GLY 19 21.960 -6.069 3.636 69 H HIS 20 HN HIS 20 21.400 -3.279 3.529 70 HA HIS 20 HA HIS 20 23.638 -2.242 5.075 71 HB2 HIS 20 HB2 HIS 20 24.090 -0.553 3.420 72 HB3 HIS 20 HB1 HIS 20 23.997 -2.077 2.573 73 HD1 HIS 20 HD1 HIS 20 22.765 1.340 2.519 74 HD2 HIS 20 HD2 HIS 20 21.477 -2.330 1.063 75 HE1 HIS 20 HE1 HIS 20 21.051 1.863 0.759 76 H MET 21 HN MET 21 22.796 -1.508 6.826 77 HA MET 21 HA MET 21 20.547 0.335 6.586 78 HB2 MET 21 HB2 MET 21 19.698 -1.808 7.464 79 HB3 MET 21 HB1 MET 21 20.923 -1.757 8.734 80 HG2 MET 21 HG2 MET 21 19.899 0.137 9.746 81 HG3 MET 21 HG1 MET 21 18.788 0.318 8.395 82 HE1 MET 21 HE1 MET 21 16.848 -1.277 7.846 83 HE2 MET 21 HE2 MET 21 16.392 -2.683 8.798 84 HE3 MET 21 HE3 MET 21 17.864 -2.724 7.832 85 H ALA 22 HN ALA 22 21.278 2.201 7.131 86 HA ALA 22 HA ALA 22 22.978 2.398 9.483 87 HB1 ALA 22 HB1 ALA 22 24.491 2.571 7.553 88 HB2 ALA 22 HB2 ALA 22 24.373 4.114 8.403 89 HB3 ALA 22 HB3 ALA 22 23.502 3.871 6.890 90 H TRP 23 HN TRP 23 21.096 2.921 10.506 91 HA TRP 23 HA TRP 23 19.780 5.388 9.707 92 HB2 TRP 23 HB2 TRP 23 19.074 3.363 11.879 93 HB3 TRP 23 HB1 TRP 23 18.285 4.927 11.659 94 HD1 TRP 23 HD1 TRP 23 19.226 2.454 9.022 95 HE1 TRP 23 HE1 TRP 23 17.083 1.804 7.661 96 HE3 TRP 23 HE3 TRP 23 15.843 5.004 11.749 97 HZ2 TRP 23 HZ2 TRP 23 14.283 2.385 7.833 98 HZ3 TRP 23 HZ3 TRP 23 13.479 4.905 11.116 99 HH2 TRP 23 HH2 TRP 23 12.736 3.610 9.196 100 H LYS 24 HN LYS 24 19.109 6.588 11.972 101 HA LYS 24 HA LYS 24 21.678 7.612 12.924 102 HB2 LYS 24 HB2 LYS 24 18.901 8.544 13.518 103 HB3 LYS 24 HB1 LYS 24 20.407 9.414 13.722 104 HG2 LYS 24 HG2 LYS 24 19.336 8.649 11.023 105 HG3 LYS 24 HG1 LYS 24 18.918 10.153 11.825 106 HD2 LYS 24 HD2 LYS 24 20.647 10.800 10.455 107 HD3 LYS 24 HD1 LYS 24 21.447 10.471 11.996 108 HE2 LYS 24 HE2 LYS 24 22.283 8.369 11.181 109 HE3 LYS 24 HE1 LYS 24 21.346 8.531 9.693 110 HZ1 LYS 24 HZ1 LYS 24 23.516 10.361 10.551 111 HZ2 LYS 24 HZ2 LYS 24 22.661 10.475 9.119 112 HZ3 LYS 24 HZ3 LYS 24 23.676 9.155 9.388 113 H ASP 25 HN ASP 25 21.164 8.475 15.241 114 HA ASP 25 HA ASP 25 21.280 6.123 16.843 115 HB2 ASP 25 HB2 ASP 25 21.642 8.968 17.317 116 HB3 ASP 25 HB1 ASP 25 21.321 8.028 18.774 117 H CYS 26 HN CYS 26 18.887 8.528 16.294 118 HA CYS 26 HA CYS 26 17.039 7.249 18.218 119 HB2 CYS 26 HB2 CYS 26 17.274 10.105 17.390 120 HB3 CYS 26 HB1 CYS 26 16.101 9.476 18.548 121 H ILE 27 HN ILE 27 14.994 7.009 17.540 122 HA ILE 27 HA ILE 27 14.585 7.439 14.675 123 HB ILE 27 HB ILE 27 14.837 5.022 15.425 124 HG12 ILE 27 HG12 ILE 27 12.089 5.371 14.312 125 HG13 ILE 27 HG11 ILE 27 13.460 5.948 13.366 126 HG21 ILE 27 HG21 ILE 27 12.961 3.912 16.434 127 HG22 ILE 27 HG22 ILE 27 12.194 5.484 16.698 128 HG23 ILE 27 HG23 ILE 27 13.720 5.097 17.509 129 HD11 ILE 27 HD11 ILE 27 12.718 3.644 12.810 130 HD12 ILE 27 HD12 ILE 27 13.327 3.128 14.420 131 HD13 ILE 27 HD13 ILE 27 14.391 3.843 13.230 132 H ILE 28 HN ILE 28 12.720 8.430 14.051 133 HA ILE 28 HA ILE 28 11.056 9.307 16.284 134 HB ILE 28 HB ILE 28 11.837 11.005 13.896 135 HG12 ILE 28 HG12 ILE 28 13.848 10.736 15.212 136 HG13 ILE 28 HG11 ILE 28 13.217 12.353 15.470 137 HG21 ILE 28 HG21 ILE 28 9.711 11.609 14.795 138 HG22 ILE 28 HG22 ILE 28 10.884 12.870 15.190 139 HG23 ILE 28 HG23 ILE 28 10.382 11.706 16.420 140 HD11 ILE 28 HD11 ILE 28 12.337 11.642 17.659 141 HD12 ILE 28 HD12 ILE 28 14.077 11.366 17.524 142 HD13 ILE 28 HD13 ILE 28 12.966 10.020 17.361 143 H GLN 29 HN GLN 29 9.121 8.482 15.896 144 HA GLN 29 HA GLN 29 8.325 7.907 13.154 145 HB2 GLN 29 HB2 GLN 29 7.230 7.044 15.813 146 HB3 GLN 29 HB1 GLN 29 6.502 6.600 14.279 147 HG2 GLN 29 HG2 GLN 29 8.681 5.527 13.648 148 HG3 GLN 29 HG1 GLN 29 9.258 5.896 15.266 149 HE21 GLN 29 HE21 GLN 29 8.879 3.328 13.915 150 HE22 GLN 29 HE22 GLN 29 7.825 2.420 14.914 151 H ARG 30 HN ARG 30 6.848 9.119 12.119 152 HA ARG 30 HA ARG 30 5.614 11.255 13.644 153 HB2 ARG 30 HB2 ARG 30 6.841 11.686 11.472 154 HB3 ARG 30 HB1 ARG 30 5.545 10.785 10.671 155 HG2 ARG 30 HG2 ARG 30 3.944 12.449 11.792 156 HG3 ARG 30 HG1 ARG 30 5.460 13.308 12.150 157 HD2 ARG 30 HD2 ARG 30 5.863 13.877 9.983 158 HD3 ARG 30 HD1 ARG 30 4.805 12.627 9.315 159 HE ARG 30 HE ARG 30 3.706 14.852 10.881 160 HH11 ARG 30 HH11 ARG 30 3.925 13.301 7.690 161 HH12 ARG 30 HH12 ARG 30 2.599 14.113 7.055 162 HH21 ARG 30 HH21 ARG 30 1.803 15.910 9.996 163 HH22 ARG 30 HH22 ARG 30 1.365 15.631 8.381 164 H TYR 31 HN TYR 31 3.674 10.723 14.456 165 HA TYR 31 HA TYR 31 2.048 8.696 13.185 166 HB2 TYR 31 HB2 TYR 31 2.194 9.869 15.861 167 HB3 TYR 31 HB1 TYR 31 0.667 9.117 15.357 168 HD1 TYR 31 HD1 TYR 31 4.309 8.588 15.842 169 HD2 TYR 31 HD2 TYR 31 0.461 6.817 15.628 170 HE1 TYR 31 HE1 TYR 31 5.239 6.505 16.663 171 HE2 TYR 31 HE2 TYR 31 1.351 4.717 16.445 172 HH TYR 31 HH TYR 31 4.451 4.483 17.845 173 H LYS 32 HN LYS 32 0.118 9.168 12.368 174 HA LYS 32 HA LYS 32 -0.974 11.764 12.716 175 HB2 LYS 32 HB2 LYS 32 0.765 12.114 11.088 176 HB3 LYS 32 HB1 LYS 32 0.127 10.765 10.171 177 HG2 LYS 32 HG2 LYS 32 -0.217 13.119 9.440 178 HG3 LYS 32 HG1 LYS 32 -1.620 11.997 9.325 179 HD2 LYS 32 HD2 LYS 32 -2.308 13.059 11.550 180 HD3 LYS 32 HD1 LYS 32 -0.989 14.214 11.330 181 HE2 LYS 32 HE2 LYS 32 -2.008 14.905 9.198 182 HE3 LYS 32 HE1 LYS 32 -3.347 13.799 9.504 183 HZ1 LYS 32 HZ1 LYS 32 -2.595 16.173 11.124 184 HZ2 LYS 32 HZ2 LYS 32 -3.824 15.081 11.530 185 HZ3 LYS 32 HZ3 LYS 32 -3.951 16.015 10.134 186 H ASP 33 HN ASP 33 -3.056 11.486 12.829 187 HA ASP 33 HA ASP 33 -5.122 10.658 12.857 188 HB2 ASP 33 HB2 ASP 33 -4.281 9.394 10.338 189 HB3 ASP 33 HB1 ASP 33 -5.922 9.232 10.946 190 H GLY 34 HN GLY 34 -3.039 9.170 14.209 191 HA2 GLY 34 HA2 GLY 34 -3.433 7.476 15.761 192 HA3 GLY 34 HA1 GLY 34 -4.708 6.877 14.695 193 H ASP 35 HN ASP 35 -2.188 7.293 12.629 194 HA ASP 35 HA ASP 35 -1.031 4.695 13.230 195 HB2 ASP 35 HB2 ASP 35 -0.852 4.336 10.848 196 HB3 ASP 35 HB1 ASP 35 -2.537 4.362 11.330 197 H VAL 36 HN VAL 36 0.992 4.486 12.278 198 HA VAL 36 HA VAL 36 2.357 7.035 12.429 199 HB VAL 36 HB VAL 36 3.496 5.316 13.665 200 HG11 VAL 36 HG11 VAL 36 2.753 3.340 12.525 201 HG12 VAL 36 HG12 VAL 36 4.518 3.346 12.634 202 HG13 VAL 36 HG13 VAL 36 3.719 3.757 11.108 203 HG21 VAL 36 HG21 VAL 36 5.012 6.041 11.185 204 HG22 VAL 36 HG22 VAL 36 5.740 5.429 12.673 205 HG23 VAL 36 HG23 VAL 36 4.891 6.985 12.670 206 H ASN 37 HN ASN 37 2.519 8.222 10.741 207 HA ASN 37 HA ASN 37 1.752 7.067 8.196 208 HB2 ASN 37 HB2 ASN 37 0.722 9.134 9.149 209 HB3 ASN 37 HB1 ASN 37 2.244 9.915 8.691 210 HD21 ASN 37 HD21 ASN 37 -0.566 8.280 7.525 211 HD22 ASN 37 HD22 ASN 37 -0.460 8.783 5.873 212 H ASN 38 HN ASN 38 4.372 9.051 9.537 213 HA ASN 38 HA ASN 38 5.957 8.327 7.230 214 HB2 ASN 38 HB2 ASN 38 6.040 10.874 8.824 215 HB3 ASN 38 HB1 ASN 38 7.223 10.406 7.611 216 HD21 ASN 38 HD21 ASN 38 6.663 10.557 5.410 217 HD22 ASN 38 HD22 ASN 38 5.234 11.383 4.905 218 H ILE 39 HN ILE 39 8.247 8.242 7.645 219 HA ILE 39 HA ILE 39 8.904 7.553 10.411 220 HB ILE 39 HB ILE 39 9.591 6.119 7.867 221 HG12 ILE 39 HG12 ILE 39 7.614 5.221 8.874 222 HG13 ILE 39 HG11 ILE 39 8.999 4.157 9.163 223 HG21 ILE 39 HG21 ILE 39 11.130 4.672 9.045 224 HG22 ILE 39 HG22 ILE 39 11.073 5.726 10.457 225 HG23 ILE 39 HG23 ILE 39 11.731 6.320 8.928 226 HD11 ILE 39 HD11 ILE 39 9.193 4.901 11.427 227 HD12 ILE 39 HD12 ILE 39 7.573 4.289 11.115 228 HD13 ILE 39 HD13 ILE 39 7.843 6.024 11.209 229 H TYR 40 HN TYR 40 10.688 8.331 11.193 230 HA TYR 40 HA TYR 40 12.642 9.647 9.491 231 HB2 TYR 40 HB2 TYR 40 11.506 11.209 11.889 232 HB3 TYR 40 HB1 TYR 40 12.702 11.686 10.716 233 HD1 TYR 40 HD2 TYR 40 12.180 12.333 8.497 234 HD2 TYR 40 HD1 TYR 40 9.036 11.334 11.202 235 HE1 TYR 40 HE2 TYR 40 10.553 13.313 6.963 236 HE2 TYR 40 HE1 TYR 40 7.419 12.305 9.662 237 HH TYR 40 HH TYR 40 7.327 14.010 7.676 238 H THR 41 HN THR 41 14.540 10.260 10.843 239 HA THR 41 HA THR 41 14.847 9.069 13.362 240 HB THR 41 HB THR 41 15.170 7.070 12.412 241 HG1 THR 41 HG1 THR 41 16.907 7.485 13.719 242 HG21 THR 41 HG21 THR 41 16.747 8.256 10.110 243 HG22 THR 41 HG22 THR 41 15.121 7.526 10.092 244 HG23 THR 41 HG23 THR 41 16.509 6.527 10.412 245 H ALA 42 HN ALA 42 16.656 9.837 14.360 246 HA ALA 42 HA ALA 42 18.168 11.986 13.030 247 HB1 ALA 42 HB1 ALA 42 17.581 13.571 14.781 248 HB2 ALA 42 HB2 ALA 42 16.545 12.361 15.533 249 HB3 ALA 42 HB3 ALA 42 16.119 13.020 13.953 250 H ASN 43 HN ASN 43 20.028 12.560 14.278 251 HA ASN 43 HA ASN 43 20.940 10.445 16.009 252 HB2 ASN 43 HB2 ASN 43 22.211 13.073 15.228 253 HB3 ASN 43 HB1 ASN 43 22.962 11.925 16.325 254 HD21 ASN 43 HD21 ASN 43 23.896 12.895 13.771 255 HD22 ASN 43 HD22 ASN 43 24.085 11.510 12.766 256 H ARG 44 HN ARG 44 21.570 10.713 18.251 257 HA ARG 44 HA ARG 44 19.974 12.286 19.834 258 HB2 ARG 44 HB2 ARG 44 22.117 11.948 21.416 259 HB3 ARG 44 HB1 ARG 44 20.884 10.730 21.107 260 HG2 ARG 44 HG2 ARG 44 22.276 9.624 19.545 261 HG3 ARG 44 HG1 ARG 44 23.476 10.896 19.551 262 HD2 ARG 44 HD2 ARG 44 24.023 10.331 21.882 263 HD3 ARG 44 HD1 ARG 44 22.751 9.112 21.883 264 HE ARG 44 HE ARG 44 24.080 8.131 19.930 265 HH11 ARG 44 HH11 ARG 44 25.642 9.705 22.719 266 HH12 ARG 44 HH12 ARG 44 27.039 8.770 22.586 267 HH21 ARG 44 HH21 ARG 44 25.989 6.873 19.782 268 HH22 ARG 44 HH22 ARG 44 27.247 7.120 20.889 269 H ASN 45 HN ASN 45 19.840 14.271 19.919 270 HA ASN 45 HA ASN 45 20.193 16.426 20.172 271 HB2 ASN 45 HB2 ASN 45 23.136 16.092 20.107 272 HB3 ASN 45 HB1 ASN 45 22.230 17.417 20.849 273 HD21 ASN 45 HD21 ASN 45 20.880 16.761 22.721 274 HD22 ASN 45 HD22 ASN 45 21.469 15.559 23.796 275 H GLU 46 HN GLU 46 19.360 15.886 17.957 276 HA GLU 46 HA GLU 46 20.923 17.366 16.085 277 HB2 GLU 46 HB2 GLU 46 21.541 15.139 15.514 278 HB3 GLU 46 HB1 GLU 46 19.885 14.564 15.666 279 HG2 GLU 46 HG2 GLU 46 19.220 15.727 13.720 280 HG3 GLU 46 HG1 GLU 46 20.760 16.589 13.712 281 H GLU 47 HN GLU 47 19.696 18.635 14.806 282 HA GLU 47 HA GLU 47 16.851 18.537 15.252 283 HB2 GLU 47 HB2 GLU 47 17.891 20.612 15.909 284 HB3 GLU 47 HB1 GLU 47 18.674 20.763 14.333 285 HG2 GLU 47 HG2 GLU 47 16.460 21.130 13.336 286 HG3 GLU 47 HG1 GLU 47 15.736 20.997 14.940 287 H ILE 48 HN ILE 48 15.843 17.471 13.774 288 HA ILE 48 HA ILE 48 16.835 17.266 11.077 289 HB ILE 48 HB ILE 48 14.878 15.776 10.721 290 HG12 ILE 48 HG12 ILE 48 14.381 16.166 13.677 291 HG13 ILE 48 HG11 ILE 48 13.360 16.657 12.328 292 HG21 ILE 48 HG21 ILE 48 16.684 14.896 12.945 293 HG22 ILE 48 HG22 ILE 48 16.948 14.704 11.198 294 HG23 ILE 48 HG23 ILE 48 15.631 13.858 11.993 295 HD11 ILE 48 HD11 ILE 48 12.501 14.659 13.423 296 HD12 ILE 48 HD12 ILE 48 14.010 13.813 13.044 297 HD13 ILE 48 HD13 ILE 48 12.950 14.356 11.743 298 H THR 49 HN THR 49 14.735 17.231 9.517 299 HA THR 49 HA THR 49 12.948 19.342 10.283 300 HB THR 49 HB THR 49 13.897 19.121 7.536 301 HG1 THR 49 HG1 THR 49 14.893 20.982 9.516 302 HG21 THR 49 HG21 THR 49 13.141 21.488 7.406 303 HG22 THR 49 HG22 THR 49 12.695 21.380 9.112 304 HG23 THR 49 HG23 THR 49 11.877 20.367 7.921 305 H ILE 50 HN ILE 50 11.048 18.770 9.934 306 HA ILE 50 HA ILE 50 10.460 16.449 8.257 307 HB ILE 50 HB ILE 50 9.162 17.353 10.832 308 HG12 ILE 50 HG12 ILE 50 10.429 14.745 10.030 309 HG13 ILE 50 HG11 ILE 50 11.169 15.988 11.027 310 HG21 ILE 50 HG21 ILE 50 8.166 15.210 8.957 311 HG22 ILE 50 HG22 ILE 50 7.378 16.749 9.293 312 HG23 ILE 50 HG23 ILE 50 7.534 15.541 10.570 313 HD11 ILE 50 HD11 ILE 50 10.282 14.161 12.423 314 HD12 ILE 50 HD12 ILE 50 8.707 14.363 11.664 315 HD13 ILE 50 HD13 ILE 50 9.341 15.638 12.690 316 H GLU 51 HN GLU 51 9.726 17.621 6.395 317 HA GLU 51 HA GLU 51 8.231 18.766 5.116 318 HB2 GLU 51 HB2 GLU 51 6.515 18.193 7.545 319 HB3 GLU 51 HB1 GLU 51 5.917 18.598 5.922 320 HG2 GLU 51 HG2 GLU 51 6.882 16.806 4.972 321 HG3 GLU 51 HG1 GLU 51 7.837 16.342 6.367 322 H GLU 52 HN GLU 52 9.976 20.328 6.329 323 HA GLU 52 HA GLU 52 10.600 22.367 6.748 324 HB2 GLU 52 HB2 GLU 52 7.813 23.130 5.954 325 HB3 GLU 52 HB1 GLU 52 9.091 24.303 6.254 326 HG2 GLU 52 HG2 GLU 52 8.994 22.222 4.101 327 HG3 GLU 52 HG1 GLU 52 8.967 23.991 4.001 328 H TYR 53 HN TYR 53 8.963 20.749 8.840 329 HA TYR 53 HA TYR 53 8.883 22.889 10.874 330 HB2 TYR 53 HB2 TYR 53 8.263 19.973 11.297 331 HB3 TYR 53 HB1 TYR 53 7.642 21.351 12.173 332 HD1 TYR 53 HD1 TYR 53 6.368 22.939 9.962 333 HD2 TYR 53 HD2 TYR 53 6.465 18.728 10.609 334 HE1 TYR 53 HE1 TYR 53 4.233 22.703 8.789 335 HE2 TYR 53 HE2 TYR 53 4.362 18.486 9.447 336 HH TYR 53 HH TYR 53 2.996 20.779 7.519 337 H LYS 54 HN LYS 54 10.866 23.088 11.951 338 HA LYS 54 HA LYS 54 12.561 20.798 11.631 339 HB2 LYS 54 HB2 LYS 54 14.400 22.043 11.992 340 HB3 LYS 54 HB1 LYS 54 13.339 23.307 11.368 341 HG2 LYS 54 HG2 LYS 54 13.825 22.752 14.258 342 HG3 LYS 54 HG1 LYS 54 14.833 23.840 13.309 343 HD2 LYS 54 HD2 LYS 54 12.899 25.290 12.937 344 HD3 LYS 54 HD1 LYS 54 11.876 24.169 13.847 345 HE2 LYS 54 HE2 LYS 54 12.705 26.123 15.203 346 HE3 LYS 54 HE1 LYS 54 13.112 24.543 15.862 347 HZ1 LYS 54 HZ1 LYS 54 14.959 26.196 14.234 348 HZ2 LYS 54 HZ2 LYS 54 15.337 24.753 15.077 349 HZ3 LYS 54 HZ3 LYS 54 14.950 26.144 15.912 350 H VAL 55 HN VAL 55 13.423 19.644 13.239 351 HA VAL 55 HA VAL 55 11.981 19.787 15.810 352 HB VAL 55 HB VAL 55 12.348 17.313 14.112 353 HG11 VAL 55 HG11 VAL 55 11.018 17.622 16.791 354 HG12 VAL 55 HG12 VAL 55 12.549 16.816 16.464 355 HG13 VAL 55 HG13 VAL 55 11.048 16.152 15.807 356 HG21 VAL 55 HG21 VAL 55 9.843 18.823 14.830 357 HG22 VAL 55 HG22 VAL 55 9.897 17.278 13.976 358 HG23 VAL 55 HG23 VAL 55 10.591 18.722 13.237 359 H PHE 56 HN PHE 56 13.372 19.647 17.482 360 HA PHE 56 HA PHE 56 16.051 18.638 16.955 361 HB2 PHE 56 HB2 PHE 56 16.029 20.836 17.925 362 HB3 PHE 56 HB1 PHE 56 14.922 20.307 19.205 363 HD1 PHE 56 HD2 PHE 56 18.299 19.651 17.803 364 HD2 PHE 56 HD1 PHE 56 15.769 19.557 21.216 365 HE1 PHE 56 HE2 PHE 56 20.196 18.994 19.182 366 HE2 PHE 56 HE1 PHE 56 17.652 18.895 22.613 367 HZ PHE 56 HZ PHE 56 19.896 18.606 21.605 368 H VAL 57 HN VAL 57 16.492 16.702 17.498 369 HA VAL 57 HA VAL 57 14.881 15.350 19.526 370 HB VAL 57 HB VAL 57 16.904 14.262 17.543 371 HG11 VAL 57 HG11 VAL 57 16.764 12.920 19.581 372 HG12 VAL 57 HG12 VAL 57 16.075 12.051 18.215 373 HG13 VAL 57 HG13 VAL 57 15.016 12.814 19.409 374 HG21 VAL 57 HG21 VAL 57 13.901 14.157 17.560 375 HG22 VAL 57 HG22 VAL 57 14.944 13.339 16.396 376 HG23 VAL 57 HG23 VAL 57 14.900 15.109 16.462 377 H ASN 58 HN ASN 58 15.733 15.142 21.476 378 HA ASN 58 HA ASN 58 18.378 16.129 21.929 379 HB2 ASN 58 HB2 ASN 58 16.279 16.553 23.350 380 HB3 ASN 58 HB1 ASN 58 16.576 14.942 24.022 381 HD21 ASN 58 HD21 ASN 58 16.969 15.735 26.075 382 HD22 ASN 58 HD22 ASN 58 18.400 16.625 26.440 383 H GLU 59 HN GLU 59 19.363 14.584 23.957 384 HA GLU 59 HA GLU 59 20.362 12.425 22.381 385 HB2 GLU 59 HB2 GLU 59 21.882 11.816 24.126 386 HB3 GLU 59 HB1 GLU 59 21.888 13.553 23.898 387 HG2 GLU 59 HG2 GLU 59 20.303 12.191 26.012 388 HG3 GLU 59 HG1 GLU 59 21.963 12.700 26.282 389 H ALA 60 HN ALA 60 17.825 12.517 24.568 390 HA ALA 60 HA ALA 60 17.961 9.675 24.986 391 HB1 ALA 60 HB1 ALA 60 16.004 9.878 26.361 392 HB2 ALA 60 HB2 ALA 60 15.851 11.585 25.930 393 HB3 ALA 60 HB3 ALA 60 17.261 11.010 26.865 394 H CYS 61 HN CYS 61 17.318 11.209 22.402 395 HA CYS 61 HA CYS 61 16.219 10.760 20.482 396 HB2 CYS 61 HB2 CYS 61 15.563 8.217 21.953 397 HB3 CYS 61 HB1 CYS 61 15.387 8.444 20.210 398 H HIS 62 HN HIS 62 15.115 12.303 22.208 399 HA HIS 62 HA HIS 62 12.258 11.800 21.723 400 HB2 HIS 62 HB2 HIS 62 13.011 11.880 24.203 401 HB3 HIS 62 HB1 HIS 62 13.197 13.615 23.941 402 HD1 HIS 62 HD1 HIS 62 11.188 14.550 25.238 403 HD2 HIS 62 HD2 HIS 62 10.221 11.398 22.710 404 HE1 HIS 62 HE1 HIS 62 8.678 14.345 25.309 405 HA PRO 63 HA PRO 63 12.847 15.391 19.146 406 HB2 PRO 63 HB2 PRO 63 10.585 15.197 17.800 407 HB3 PRO 63 HB1 PRO 63 11.825 13.938 17.614 408 HG2 PRO 63 HG2 PRO 63 9.342 13.883 19.249 409 HG3 PRO 63 HG1 PRO 63 10.027 12.622 18.202 410 HD2 PRO 63 HD2 PRO 63 10.369 12.643 20.903 411 HD3 PRO 63 HD1 PRO 63 11.511 11.929 19.754 412 H TYR 64 HN TYR 64 12.342 17.457 19.256 413 HA TYR 64 HA TYR 64 9.784 18.244 20.322 414 HB2 TYR 64 HB2 TYR 64 12.432 19.340 21.130 415 HB3 TYR 64 HB1 TYR 64 11.003 20.389 21.147 416 HD1 TYR 64 HD1 TYR 64 9.070 19.789 22.474 417 HD2 TYR 64 HD2 TYR 64 12.707 17.704 22.680 418 HE1 TYR 64 HE1 TYR 64 8.338 18.801 24.635 419 HE2 TYR 64 HE2 TYR 64 12.033 16.675 24.872 420 HH TYR 64 HH TYR 64 8.804 16.884 25.980 421 HA PRO 65 HA PRO 65 8.469 19.677 20.460 422 HB2 PRO 65 HB2 PRO 65 6.231 20.284 19.126 423 HB3 PRO 65 HB1 PRO 65 7.378 21.542 19.646 424 HG2 PRO 65 HG2 PRO 65 7.003 20.338 16.988 425 HG3 PRO 65 HG1 PRO 65 7.352 22.036 17.481 426 HD2 PRO 65 HD2 PRO 65 9.231 20.264 16.505 427 HD3 PRO 65 HD1 PRO 65 9.566 21.697 17.493 428 H VAL 66 HN VAL 66 6.601 18.290 20.806 429 HA VAL 66 HA VAL 66 6.958 15.790 19.391 430 HB VAL 66 HB VAL 66 5.300 16.420 21.854 431 HG11 VAL 66 HG11 VAL 66 6.017 13.752 20.628 432 HG12 VAL 66 HG12 VAL 66 4.412 14.473 20.644 433 HG13 VAL 66 HG13 VAL 66 5.171 13.979 22.159 434 HG21 VAL 66 HG21 VAL 66 7.991 15.107 21.509 435 HG22 VAL 66 HG22 VAL 66 7.132 15.226 23.039 436 HG23 VAL 66 HG23 VAL 66 7.689 16.686 22.214 437 H ILE 67 HN ILE 67 4.467 18.249 19.886 438 HA ILE 67 HA ILE 67 2.982 16.821 17.877 439 HB ILE 67 HB ILE 67 1.997 18.999 19.724 440 HG12 ILE 67 HG12 ILE 67 1.852 16.892 20.788 441 HG13 ILE 67 HG11 ILE 67 0.240 17.347 20.139 442 HG21 ILE 67 HG21 ILE 67 0.454 17.777 17.448 443 HG22 ILE 67 HG22 ILE 67 1.070 19.424 17.490 444 HG23 ILE 67 HG23 ILE 67 -0.179 18.921 18.636 445 HD11 ILE 67 HD11 ILE 67 2.102 15.354 18.900 446 HD12 ILE 67 HD12 ILE 67 0.502 15.811 18.321 447 HD13 ILE 67 HD13 ILE 67 0.675 14.970 19.862 448 H LEU 68 HN LEU 68 2.839 17.445 16.047 449 HA LEU 68 HA LEU 68 4.353 19.786 15.160 450 HB2 LEU 68 HB2 LEU 68 3.016 17.581 13.593 451 HB3 LEU 68 HB1 LEU 68 3.866 18.915 12.845 452 HG LEU 68 HG LEU 68 5.040 16.735 14.557 453 HD11 LEU 68 HD11 LEU 68 4.577 16.059 12.302 454 HD12 LEU 68 HD12 LEU 68 6.329 16.302 12.476 455 HD13 LEU 68 HD13 LEU 68 5.328 17.521 11.684 456 HD21 LEU 68 HD21 LEU 68 7.226 17.788 14.113 457 HD22 LEU 68 HD22 LEU 68 6.187 18.810 15.100 458 HD23 LEU 68 HD23 LEU 68 6.399 19.164 13.382 459 HA PRO 69 HA PRO 69 0.936 22.457 14.401 460 HB2 PRO 69 HB2 PRO 69 1.569 23.009 11.638 461 HB3 PRO 69 HB1 PRO 69 1.733 24.091 13.039 462 HG2 PRO 69 HG2 PRO 69 3.920 23.197 11.818 463 HG3 PRO 69 HG1 PRO 69 3.831 23.334 13.594 464 HD2 PRO 69 HD2 PRO 69 3.434 20.904 11.908 465 HD3 PRO 69 HD1 PRO 69 4.490 21.057 13.318 466 H ASP 70 HN ASP 70 1.345 19.845 12.421 467 HA ASP 70 HA ASP 70 -1.274 20.045 11.203 468 HB2 ASP 70 HB2 ASP 70 0.690 19.462 9.759 469 HB3 ASP 70 HB1 ASP 70 0.916 18.007 10.707 470 H ARG 71 HN ARG 71 -0.346 19.305 14.087 471 HA ARG 71 HA ARG 71 -0.996 18.055 15.852 472 HB2 ARG 71 HB2 ARG 71 -3.215 18.739 14.922 473 HB3 ARG 71 HB1 ARG 71 -3.290 17.211 14.064 474 HG2 ARG 71 HG2 ARG 71 -4.585 16.918 16.062 475 HG3 ARG 71 HG1 ARG 71 -3.035 16.077 16.246 476 HD2 ARG 71 HD2 ARG 71 -2.156 17.980 17.526 477 HD3 ARG 71 HD1 ARG 71 -3.739 18.751 17.419 478 HE ARG 71 HE ARG 71 -3.550 16.087 18.589 479 HH11 ARG 71 HH11 ARG 71 -4.155 19.549 19.101 480 HH12 ARG 71 HH12 ARG 71 -4.710 19.317 20.694 481 HH21 ARG 71 HH21 ARG 71 -4.356 15.812 20.704 482 HH22 ARG 71 HH22 ARG 71 -4.880 17.168 21.608 483 H SER 72 HN SER 72 0.723 16.984 13.814 484 HA SER 72 HA SER 72 0.256 14.142 13.866 485 HB2 SER 72 HB2 SER 72 2.888 15.332 13.080 486 HB3 SER 72 HB1 SER 72 1.937 14.021 12.338 487 HG SER 72 HG SER 72 0.371 15.840 11.912 488 H VAL 73 HN VAL 73 1.284 12.790 15.110 489 HA VAL 73 HA VAL 73 2.310 13.699 17.677 490 HB VAL 73 HB VAL 73 1.108 11.214 16.506 491 HG11 VAL 73 HG11 VAL 73 2.559 11.221 19.171 492 HG12 VAL 73 HG12 VAL 73 3.062 10.398 17.687 493 HG13 VAL 73 HG13 VAL 73 1.582 9.904 18.482 494 HG21 VAL 73 HG21 VAL 73 0.497 12.753 18.996 495 HG22 VAL 73 HG22 VAL 73 -0.346 11.308 18.429 496 HG23 VAL 73 HG23 VAL 73 -0.401 12.789 17.467 497 H LEU 74 HN LEU 74 4.514 13.722 17.924 498 HA LEU 74 HA LEU 74 5.958 11.861 16.239 499 HB2 LEU 74 HB2 LEU 74 6.723 14.456 17.404 500 HB3 LEU 74 HB1 LEU 74 7.925 13.173 17.494 501 HG LEU 74 HG LEU 74 8.110 12.989 15.185 502 HD11 LEU 74 HD11 LEU 74 6.703 14.197 13.608 503 HD12 LEU 74 HD12 LEU 74 5.683 14.752 14.957 504 HD13 LEU 74 HD13 LEU 74 5.790 13.042 14.569 505 HD21 LEU 74 HD21 LEU 74 8.673 15.270 14.500 506 HD22 LEU 74 HD22 LEU 74 9.242 14.900 16.126 507 HD23 LEU 74 HD23 LEU 74 7.805 15.900 15.899 508 H SER 75 HN SER 75 6.776 10.127 16.958 509 HA SER 75 HA SER 75 7.026 9.845 19.878 510 HB2 SER 75 HB2 SER 75 6.405 7.672 17.875 511 HB3 SER 75 HB1 SER 75 6.513 7.462 19.627 512 HG SER 75 HG SER 75 4.916 9.458 19.270 513 H GLY 76 HN GLY 76 9.027 9.671 20.566 514 HA2 GLY 76 HA2 GLY 76 11.079 8.945 18.595 515 HA3 GLY 76 HA1 GLY 76 11.299 10.042 19.952 516 H ASP 77 HN ASP 77 12.551 7.401 19.040 517 HA ASP 77 HA ASP 77 13.103 6.532 21.761 518 HB2 ASP 77 HB2 ASP 77 11.058 5.143 20.784 519 HB3 ASP 77 HB1 ASP 77 12.302 4.396 19.800 520 H PHE 78 HN PHE 78 14.693 4.677 21.403 521 HA PHE 78 HA PHE 78 16.805 5.786 19.736 522 HB2 PHE 78 HB2 PHE 78 16.611 3.425 21.506 523 HB3 PHE 78 HB1 PHE 78 18.134 3.853 20.746 524 HD1 PHE 78 HD1 PHE 78 15.557 5.010 23.271 525 HD2 PHE 78 HD2 PHE 78 19.563 5.565 21.808 526 HE1 PHE 78 HE1 PHE 78 16.073 6.426 25.164 527 HE2 PHE 78 HE2 PHE 78 20.032 6.976 23.716 528 HZ PHE 78 HZ PHE 78 18.299 7.419 25.403 529 H THR 79 HN THR 79 17.480 4.846 17.782 530 HA THR 79 HA THR 79 15.639 3.403 16.250 531 HB THR 79 HB THR 79 18.515 3.415 15.691 532 HG1 THR 79 HG1 THR 79 18.451 5.521 15.245 533 HG21 THR 79 HG21 THR 79 16.118 4.013 14.028 534 HG22 THR 79 HG22 THR 79 16.988 2.458 14.070 535 HG23 THR 79 HG23 THR 79 17.782 3.926 13.457 536 H SER 80 HN SER 80 18.125 2.320 18.380 537 HA SER 80 HA SER 80 18.842 -0.101 17.169 538 HB2 SER 80 HB2 SER 80 19.652 -0.473 19.605 539 HB3 SER 80 HB1 SER 80 20.347 0.844 18.648 540 HG SER 80 HG SER 80 19.818 1.823 20.445 541 H ALA 81 HN ALA 81 16.471 0.795 19.614 542 HA ALA 81 HA ALA 81 15.705 -1.945 19.926 543 HB1 ALA 81 HB1 ALA 81 14.200 -1.141 21.692 544 HB2 ALA 81 HB2 ALA 81 14.539 0.524 21.215 545 HB3 ALA 81 HB3 ALA 81 15.821 -0.473 21.897 546 H TYR 82 HN TYR 82 15.258 -0.246 17.581 547 HA TYR 82 HA TYR 82 12.462 -0.871 17.204 548 HB2 TYR 82 HB2 TYR 82 13.821 1.629 16.723 549 HB3 TYR 82 HB1 TYR 82 12.677 1.171 15.458 550 HD1 TYR 82 HD2 TYR 82 12.815 1.210 19.215 551 HD2 TYR 82 HD1 TYR 82 10.587 2.061 15.710 552 HE1 TYR 82 HE2 TYR 82 10.974 2.045 20.597 553 HE2 TYR 82 HE1 TYR 82 8.731 2.903 17.074 554 HH TYR 82 HH TYR 82 9.110 3.509 20.409 555 H ALA 83 HN ALA 83 14.924 0.345 14.957 556 HA ALA 83 HA ALA 83 13.921 -1.445 12.947 557 HB1 ALA 83 HB1 ALA 83 14.344 0.898 12.411 558 HB2 ALA 83 HB2 ALA 83 15.336 -0.185 11.422 559 HB3 ALA 83 HB3 ALA 83 16.052 0.666 12.793 560 H ASP 84 HN ASP 84 16.097 -1.670 15.296 561 HA ASP 84 HA ASP 84 17.625 -3.210 15.915 562 HB2 ASP 84 HB2 ASP 84 16.663 -4.922 14.464 563 HB3 ASP 84 HB1 ASP 84 17.446 -4.201 13.070 564 H ASP 85 HN ASP 85 18.292 -2.048 12.662 565 HA ASP 85 HA ASP 85 20.066 -1.141 11.674 566 HB2 ASP 85 HB2 ASP 85 19.134 0.817 12.826 567 HB3 ASP 85 HB1 ASP 85 20.205 0.526 14.192 568 H ASP 86 HN ASP 86 21.305 -2.846 11.512 569 HA ASP 86 HA ASP 86 23.171 -3.618 13.550 570 HB2 ASP 86 HB2 ASP 86 22.187 -5.307 12.134 571 HB3 ASP 86 HB1 ASP 86 22.856 -4.537 10.698 572 H GLU 87 HN GLU 87 24.998 -2.534 13.930 573 HA GLU 87 HA GLU 87 26.436 -1.235 11.733 574 HB2 GLU 87 HB2 GLU 87 27.110 -1.507 14.595 575 HB3 GLU 87 HB1 GLU 87 27.938 -0.471 13.440 576 HG2 GLU 87 HG2 GLU 87 25.892 0.899 13.273 577 HG3 GLU 87 HG1 GLU 87 25.140 -0.129 14.503 578 H SER 88 HN SER 88 26.186 -4.137 13.310 579 HA SER 88 HA SER 88 27.224 -6.085 13.349 580 HB2 SER 88 HB2 SER 88 29.429 -4.854 11.674 581 HB3 SER 88 HB1 SER 88 29.182 -6.576 11.969 582 HG SER 88 HG SER 88 26.888 -5.624 11.051 583 H CYS 89 HN CYS 89 29.416 -3.369 13.774 584 HA CYS 89 HA CYS 89 29.863 -3.832 16.483 585 HB2 CYS 89 HB2 CYS 89 31.392 -5.611 15.426 586 HB3 CYS 89 HB1 CYS 89 32.258 -4.288 14.657 587 HG CYS 89 HG CYS 89 32.409 -5.460 17.746 Start of MODEL 20 1 H GLY 11 HT1 GLY 11 3.941 6.685 -2.576 2 HA2 GLY 11 HA1 GLY 11 1.713 5.221 -1.293 3 HA3 GLY 11 HA2 GLY 11 2.879 4.508 -2.404 4 H ARG 12 HN ARG 12 3.768 3.075 -0.861 5 HA ARG 12 HA ARG 12 5.721 4.366 0.760 6 HB2 ARG 12 HB2 ARG 12 3.889 4.152 2.419 7 HB3 ARG 12 HB1 ARG 12 3.810 2.424 2.097 8 HG2 ARG 12 HG2 ARG 12 6.114 2.174 2.910 9 HG3 ARG 12 HG1 ARG 12 6.172 3.899 3.258 10 HD2 ARG 12 HD2 ARG 12 4.218 1.962 4.477 11 HD3 ARG 12 HD1 ARG 12 5.714 2.475 5.247 12 HE ARG 12 HE ARG 12 4.677 4.798 4.949 13 HH11 ARG 12 HH11 ARG 12 2.817 1.867 5.669 14 HH12 ARG 12 HH12 ARG 12 1.633 2.656 6.586 15 HH21 ARG 12 HH21 ARG 12 3.078 5.881 6.317 16 HH22 ARG 12 HH22 ARG 12 1.790 4.984 6.978 17 H GLU 13 HN GLU 13 6.983 3.599 -0.794 18 HA GLU 13 HA GLU 13 7.457 0.720 -0.678 19 HB2 GLU 13 HB2 GLU 13 7.930 2.617 -2.967 20 HB3 GLU 13 HB1 GLU 13 8.609 1.007 -2.898 21 HG2 GLU 13 HG2 GLU 13 6.726 0.959 -4.322 22 HG3 GLU 13 HG1 GLU 13 6.294 0.107 -2.845 23 H ASN 14 HN ASN 14 9.042 0.531 0.772 24 HA ASN 14 HA ASN 14 11.420 2.176 0.331 25 HB2 ASN 14 HB2 ASN 14 10.699 0.417 2.704 26 HB3 ASN 14 HB1 ASN 14 12.287 1.120 2.474 27 HD21 ASN 14 HD21 ASN 14 12.604 3.334 2.847 28 HD22 ASN 14 HD22 ASN 14 11.408 4.299 3.603 29 H LEU 15 HN LEU 15 13.495 0.829 0.414 30 HA LEU 15 HA LEU 15 12.928 -1.691 -0.977 31 HB2 LEU 15 HB2 LEU 15 14.912 0.405 -1.866 32 HB3 LEU 15 HB1 LEU 15 14.827 -1.203 -2.520 33 HG LEU 15 HG LEU 15 12.490 -0.597 -3.347 34 HD11 LEU 15 HD11 LEU 15 13.414 2.198 -2.729 35 HD12 LEU 15 HD12 LEU 15 12.069 1.357 -1.963 36 HD13 LEU 15 HD13 LEU 15 11.992 1.760 -3.677 37 HD21 LEU 15 HD21 LEU 15 14.395 -0.759 -4.805 38 HD22 LEU 15 HD22 LEU 15 14.871 0.893 -4.413 39 HD23 LEU 15 HD23 LEU 15 13.372 0.592 -5.290 40 H TYR 16 HN TYR 16 14.969 -2.950 -1.257 41 HA TYR 16 HA TYR 16 16.405 -3.131 1.228 42 HB2 TYR 16 HB2 TYR 16 15.656 -5.145 -0.054 43 HB3 TYR 16 HB1 TYR 16 16.648 -4.642 -1.405 44 HD1 TYR 16 HD1 TYR 16 16.673 -6.054 1.989 45 HD2 TYR 16 HD2 TYR 16 19.016 -5.139 -1.438 46 HE1 TYR 16 HE1 TYR 16 18.480 -7.479 2.848 47 HE2 TYR 16 HE2 TYR 16 20.835 -6.555 -0.583 48 HH TYR 16 HH TYR 16 21.623 -7.421 1.621 49 H PHE 17 HN PHE 17 17.240 -0.951 1.017 50 HA PHE 17 HA PHE 17 19.073 -0.287 -1.120 51 HB2 PHE 17 HB2 PHE 17 18.802 1.040 1.596 52 HB3 PHE 17 HB1 PHE 17 19.541 1.731 0.163 53 HD1 PHE 17 HD1 PHE 17 17.900 1.962 -1.900 54 HD2 PHE 17 HD2 PHE 17 16.690 1.620 2.158 55 HE1 PHE 17 HE1 PHE 17 15.751 3.026 -2.455 56 HE2 PHE 17 HE2 PHE 17 14.539 2.673 1.615 57 HZ PHE 17 HZ PHE 17 14.068 3.383 -0.694 58 H GLN 18 HN GLN 18 19.186 -0.948 2.265 59 HA GLN 18 HA GLN 18 21.962 -1.866 2.129 60 HB2 GLN 18 HB2 GLN 18 21.588 0.274 3.369 61 HB3 GLN 18 HB1 GLN 18 20.387 -0.527 4.352 62 HG2 GLN 18 HG2 GLN 18 22.078 -1.911 5.362 63 HG3 GLN 18 HG1 GLN 18 23.314 -1.227 4.302 64 HE21 GLN 18 HE21 GLN 18 23.966 0.899 4.618 65 HE22 GLN 18 HE22 GLN 18 23.699 1.733 6.095 66 H GLY 19 HN GLY 19 22.247 -3.873 3.183 67 HA2 GLY 19 HA2 GLY 19 19.762 -5.351 3.631 68 HA3 GLY 19 HA1 GLY 19 21.343 -6.061 3.336 69 H HIS 20 HN HIS 20 21.071 -3.451 5.448 70 HA HIS 20 HA HIS 20 21.056 -5.053 7.874 71 HB2 HIS 20 HB2 HIS 20 23.184 -2.980 7.213 72 HB3 HIS 20 HB1 HIS 20 22.989 -3.780 8.760 73 HD1 HIS 20 HD1 HIS 20 23.940 -6.211 8.932 74 HD2 HIS 20 HD2 HIS 20 24.465 -4.394 5.243 75 HE1 HIS 20 HE1 HIS 20 25.671 -7.582 7.718 76 H MET 21 HN MET 21 20.990 -3.376 9.693 77 HA MET 21 HA MET 21 19.710 -0.955 8.761 78 HB2 MET 21 HB2 MET 21 18.489 -0.913 10.975 79 HB3 MET 21 HB1 MET 21 17.966 -2.138 9.841 80 HG2 MET 21 HG2 MET 21 19.874 -2.691 12.080 81 HG3 MET 21 HG1 MET 21 18.125 -2.830 12.255 82 HE1 MET 21 HE1 MET 21 20.131 -5.184 12.909 83 HE2 MET 21 HE2 MET 21 19.242 -6.535 12.196 84 HE3 MET 21 HE3 MET 21 18.378 -5.265 13.058 85 H ALA 22 HN ALA 22 21.236 0.362 8.735 86 HA ALA 22 HA ALA 22 22.495 1.015 11.275 87 HB1 ALA 22 HB1 ALA 22 24.211 0.033 9.812 88 HB2 ALA 22 HB2 ALA 22 24.508 1.756 10.032 89 HB3 ALA 22 HB3 ALA 22 23.778 1.167 8.537 90 H TRP 23 HN TRP 23 20.640 2.203 11.485 91 HA TRP 23 HA TRP 23 20.223 4.549 9.821 92 HB2 TRP 23 HB2 TRP 23 18.779 3.249 12.144 93 HB3 TRP 23 HB1 TRP 23 18.320 4.835 11.514 94 HD1 TRP 23 HD1 TRP 23 19.252 2.003 9.270 95 HE1 TRP 23 HE1 TRP 23 17.161 1.355 7.804 96 HE3 TRP 23 HE3 TRP 23 15.832 4.831 11.642 97 HZ2 TRP 23 HZ2 TRP 23 14.306 2.080 7.822 98 HZ3 TRP 23 HZ3 TRP 23 13.513 4.780 10.925 99 HH2 TRP 23 HH2 TRP 23 12.792 3.424 9.044 100 H LYS 24 HN LYS 24 19.355 6.303 11.829 101 HA LYS 24 HA LYS 24 21.885 7.069 13.025 102 HB2 LYS 24 HB2 LYS 24 19.211 8.458 13.071 103 HB3 LYS 24 HB1 LYS 24 20.719 9.073 13.715 104 HG2 LYS 24 HG2 LYS 24 21.727 9.183 11.542 105 HG3 LYS 24 HG1 LYS 24 20.264 8.500 10.793 106 HD2 LYS 24 HD2 LYS 24 19.010 10.429 11.442 107 HD3 LYS 24 HD1 LYS 24 20.378 11.066 12.355 108 HE2 LYS 24 HE2 LYS 24 21.644 11.251 10.260 109 HE3 LYS 24 HE1 LYS 24 20.236 10.666 9.371 110 HZ1 LYS 24 HZ1 LYS 24 19.002 12.593 10.052 111 HZ2 LYS 24 HZ2 LYS 24 20.441 13.132 9.389 112 HZ3 LYS 24 HZ3 LYS 24 20.237 13.103 11.069 113 H ASP 25 HN ASP 25 21.074 8.254 15.271 114 HA ASP 25 HA ASP 25 21.053 5.862 16.840 115 HB2 ASP 25 HB2 ASP 25 22.081 8.472 17.171 116 HB3 ASP 25 HB1 ASP 25 21.201 8.029 18.637 117 H CYS 26 HN CYS 26 18.904 8.361 16.146 118 HA CYS 26 HA CYS 26 16.940 7.308 18.094 119 HB2 CYS 26 HB2 CYS 26 17.295 10.113 17.139 120 HB3 CYS 26 HB1 CYS 26 16.108 9.583 18.325 121 H ILE 27 HN ILE 27 14.927 7.123 17.366 122 HA ILE 27 HA ILE 27 14.604 7.487 14.480 123 HB ILE 27 HB ILE 27 14.819 5.071 15.199 124 HG12 ILE 27 HG12 ILE 27 12.032 5.447 14.199 125 HG13 ILE 27 HG11 ILE 27 13.383 5.989 13.204 126 HG21 ILE 27 HG21 ILE 27 12.994 3.987 16.308 127 HG22 ILE 27 HG22 ILE 27 12.253 5.566 16.605 128 HG23 ILE 27 HG23 ILE 27 13.818 5.172 17.331 129 HD11 ILE 27 HD11 ILE 27 12.588 3.673 12.721 130 HD12 ILE 27 HD12 ILE 27 13.269 3.193 14.312 131 HD13 ILE 27 HD13 ILE 27 14.280 3.887 13.064 132 H ILE 28 HN ILE 28 12.754 8.484 13.812 133 HA ILE 28 HA ILE 28 11.091 9.480 16.009 134 HB ILE 28 HB ILE 28 12.057 11.074 13.616 135 HG12 ILE 28 HG12 ILE 28 13.957 10.755 15.060 136 HG13 ILE 28 HG11 ILE 28 13.394 12.410 15.232 137 HG21 ILE 28 HG21 ILE 28 11.127 13.024 14.760 138 HG22 ILE 28 HG22 ILE 28 10.461 11.940 15.996 139 HG23 ILE 28 HG23 ILE 28 9.918 11.814 14.322 140 HD11 ILE 28 HD11 ILE 28 12.339 11.802 17.374 141 HD12 ILE 28 HD12 ILE 28 14.072 11.459 17.361 142 HD13 ILE 28 HD13 ILE 28 12.922 10.149 17.168 143 H GLN 29 HN GLN 29 9.105 8.747 15.589 144 HA GLN 29 HA GLN 29 8.334 8.223 12.817 145 HB2 GLN 29 HB2 GLN 29 7.195 7.284 15.438 146 HB3 GLN 29 HB1 GLN 29 6.550 6.851 13.863 147 HG2 GLN 29 HG2 GLN 29 8.743 5.820 13.315 148 HG3 GLN 29 HG1 GLN 29 9.279 6.186 14.952 149 HE21 GLN 29 HE21 GLN 29 9.040 3.623 13.612 150 HE22 GLN 29 HE22 GLN 29 7.954 2.693 14.568 151 H ARG 30 HN ARG 30 6.624 9.273 11.881 152 HA ARG 30 HA ARG 30 5.508 11.475 13.419 153 HB2 ARG 30 HB2 ARG 30 6.542 11.513 10.935 154 HB3 ARG 30 HB1 ARG 30 4.910 11.022 10.507 155 HG2 ARG 30 HG2 ARG 30 4.147 12.995 11.901 156 HG3 ARG 30 HG1 ARG 30 5.822 13.540 11.813 157 HD2 ARG 30 HD2 ARG 30 5.072 14.677 9.985 158 HD3 ARG 30 HD1 ARG 30 5.337 13.117 9.187 159 HE ARG 30 HE ARG 30 2.839 12.866 10.031 160 HH11 ARG 30 HH11 ARG 30 4.350 15.395 7.946 161 HH12 ARG 30 HH12 ARG 30 2.880 16.021 7.487 162 HH21 ARG 30 HH21 ARG 30 0.819 13.799 9.243 163 HH22 ARG 30 HH22 ARG 30 0.861 15.117 8.166 164 H TYR 31 HN TYR 31 3.619 10.800 14.367 165 HA TYR 31 HA TYR 31 1.998 8.731 13.156 166 HB2 TYR 31 HB2 TYR 31 2.234 9.915 15.805 167 HB3 TYR 31 HB1 TYR 31 0.685 9.147 15.398 168 HD1 TYR 31 HD2 TYR 31 4.349 8.664 15.727 169 HD2 TYR 31 HD1 TYR 31 0.527 6.839 15.558 170 HE1 TYR 31 HE2 TYR 31 5.348 6.555 16.411 171 HE2 TYR 31 HE1 TYR 31 1.479 4.721 16.234 172 HH TYR 31 HH TYR 31 4.747 4.428 17.359 173 H LYS 32 HN LYS 32 -0.024 9.109 12.402 174 HA LYS 32 HA LYS 32 -1.139 11.772 12.587 175 HB2 LYS 32 HB2 LYS 32 0.394 11.060 10.517 176 HB3 LYS 32 HB1 LYS 32 -1.132 10.365 10.029 177 HG2 LYS 32 HG2 LYS 32 -0.497 13.271 10.499 178 HG3 LYS 32 HG1 LYS 32 -0.794 12.371 8.994 179 HD2 LYS 32 HD2 LYS 32 -2.882 13.291 9.189 180 HD3 LYS 32 HD1 LYS 32 -3.115 11.922 10.272 181 HE2 LYS 32 HE2 LYS 32 -3.946 13.791 11.431 182 HE3 LYS 32 HE1 LYS 32 -2.386 13.443 12.152 183 HZ1 LYS 32 HZ1 LYS 32 -2.645 15.787 11.860 184 HZ2 LYS 32 HZ2 LYS 32 -3.029 15.636 10.254 185 HZ3 LYS 32 HZ3 LYS 32 -1.456 15.352 10.752 186 H ASP 33 HN ASP 33 -3.216 11.428 13.121 187 HA ASP 33 HA ASP 33 -5.019 10.402 13.825 188 HB2 ASP 33 HB2 ASP 33 -4.991 9.770 10.989 189 HB3 ASP 33 HB1 ASP 33 -6.279 9.046 11.959 190 H GLY 34 HN GLY 34 -2.817 8.942 14.581 191 HA2 GLY 34 HA2 GLY 34 -2.891 7.164 16.116 192 HA3 GLY 34 HA1 GLY 34 -4.227 6.499 15.167 193 H ASP 35 HN ASP 35 -2.274 7.103 12.685 194 HA ASP 35 HA ASP 35 -0.977 4.548 13.028 195 HB2 ASP 35 HB2 ASP 35 -0.825 4.423 10.639 196 HB3 ASP 35 HB1 ASP 35 -2.496 4.515 11.124 197 H VAL 36 HN VAL 36 1.046 4.393 12.254 198 HA VAL 36 HA VAL 36 2.494 6.884 12.543 199 HB VAL 36 HB VAL 36 3.561 5.056 13.670 200 HG11 VAL 36 HG11 VAL 36 2.594 3.209 12.457 201 HG12 VAL 36 HG12 VAL 36 4.347 3.022 12.539 202 HG13 VAL 36 HG13 VAL 36 3.570 3.587 11.045 203 HG21 VAL 36 HG21 VAL 36 5.055 5.684 11.150 204 HG22 VAL 36 HG22 VAL 36 5.779 5.095 12.663 205 HG23 VAL 36 HG23 VAL 36 4.981 6.679 12.597 206 H ASN 37 HN ASN 37 2.677 8.131 10.877 207 HA ASN 37 HA ASN 37 1.757 7.062 8.367 208 HB2 ASN 37 HB2 ASN 37 0.858 9.107 9.531 209 HB3 ASN 37 HB1 ASN 37 2.281 9.902 8.857 210 HD21 ASN 37 HD21 ASN 37 -0.545 8.046 8.112 211 HD22 ASN 37 HD22 ASN 37 -0.765 8.631 6.498 212 H ASN 38 HN ASN 38 4.508 8.892 9.638 213 HA ASN 38 HA ASN 38 5.967 8.135 7.268 214 HB2 ASN 38 HB2 ASN 38 6.326 10.688 8.821 215 HB3 ASN 38 HB1 ASN 38 7.146 10.198 7.346 216 HD21 ASN 38 HD21 ASN 38 6.053 10.415 5.334 217 HD22 ASN 38 HD22 ASN 38 4.600 11.336 5.223 218 H ILE 39 HN ILE 39 8.162 7.748 7.670 219 HA ILE 39 HA ILE 39 8.894 7.316 10.490 220 HB ILE 39 HB ILE 39 9.436 5.587 8.081 221 HG12 ILE 39 HG12 ILE 39 8.719 3.714 9.646 222 HG13 ILE 39 HG11 ILE 39 8.206 4.971 10.756 223 HG21 ILE 39 HG21 ILE 39 10.981 5.352 10.652 224 HG22 ILE 39 HG22 ILE 39 11.602 5.718 9.041 225 HG23 ILE 39 HG23 ILE 39 10.918 4.142 9.382 226 HD11 ILE 39 HD11 ILE 39 7.131 4.511 7.981 227 HD12 ILE 39 HD12 ILE 39 6.604 5.772 9.100 228 HD13 ILE 39 HD13 ILE 39 6.343 4.073 9.500 229 H TYR 40 HN TYR 40 10.579 8.554 11.134 230 HA TYR 40 HA TYR 40 12.609 9.311 9.160 231 HB2 TYR 40 HB2 TYR 40 11.732 11.123 11.477 232 HB3 TYR 40 HB1 TYR 40 12.861 11.462 10.198 233 HD1 TYR 40 HD2 TYR 40 12.088 11.796 7.872 234 HD2 TYR 40 HD1 TYR 40 9.345 11.544 11.117 235 HE1 TYR 40 HE2 TYR 40 10.354 12.841 6.485 236 HE2 TYR 40 HE1 TYR 40 7.612 12.593 9.733 237 HH TYR 40 HH TYR 40 7.485 14.106 7.656 238 H THR 41 HN THR 41 14.665 9.931 10.381 239 HA THR 41 HA THR 41 14.900 8.960 13.031 240 HB THR 41 HB THR 41 15.327 6.897 12.217 241 HG1 THR 41 HG1 THR 41 17.009 7.354 13.523 242 HG21 THR 41 HG21 THR 41 16.705 6.296 10.279 243 HG22 THR 41 HG22 THR 41 16.900 8.006 9.871 244 HG23 THR 41 HG23 THR 41 15.294 7.243 9.866 245 H ALA 42 HN ALA 42 16.714 9.696 14.074 246 HA ALA 42 HA ALA 42 18.201 11.877 12.793 247 HB1 ALA 42 HB1 ALA 42 17.583 13.419 14.578 248 HB2 ALA 42 HB2 ALA 42 16.534 12.189 15.277 249 HB3 ALA 42 HB3 ALA 42 16.148 12.878 13.700 250 H ASN 43 HN ASN 43 20.102 12.381 13.947 251 HA ASN 43 HA ASN 43 21.124 10.392 15.737 252 HB2 ASN 43 HB2 ASN 43 22.152 13.114 14.926 253 HB3 ASN 43 HB1 ASN 43 23.002 12.068 16.052 254 HD21 ASN 43 HD21 ASN 43 23.548 13.110 13.306 255 HD22 ASN 43 HD22 ASN 43 24.026 11.731 12.395 256 H ARG 44 HN ARG 44 21.512 10.566 17.958 257 HA ARG 44 HA ARG 44 19.881 12.069 19.594 258 HB2 ARG 44 HB2 ARG 44 21.943 11.636 21.251 259 HB3 ARG 44 HB1 ARG 44 20.811 10.379 20.755 260 HG2 ARG 44 HG2 ARG 44 22.319 9.545 19.158 261 HG3 ARG 44 HG1 ARG 44 23.424 10.874 19.362 262 HD2 ARG 44 HD2 ARG 44 24.029 10.087 21.537 263 HD3 ARG 44 HD1 ARG 44 22.724 8.888 21.525 264 HE ARG 44 HE ARG 44 23.800 7.675 19.909 265 HH11 ARG 44 HH11 ARG 44 26.000 10.125 21.226 266 HH12 ARG 44 HH12 ARG 44 27.290 9.677 20.214 267 HH21 ARG 44 HH21 ARG 44 25.491 7.155 18.482 268 HH22 ARG 44 HH22 ARG 44 27.021 7.904 18.619 269 H ASN 45 HN ASN 45 19.732 14.138 19.792 270 HA ASN 45 HA ASN 45 20.116 16.270 20.128 271 HB2 ASN 45 HB2 ASN 45 23.002 15.636 20.361 272 HB3 ASN 45 HB1 ASN 45 22.247 17.212 20.690 273 HD21 ASN 45 HD21 ASN 45 23.738 15.148 22.370 274 HD22 ASN 45 HD22 ASN 45 22.752 14.981 23.783 275 H GLU 46 HN GLU 46 19.319 16.084 17.956 276 HA GLU 46 HA GLU 46 20.974 17.520 16.121 277 HB2 GLU 46 HB2 GLU 46 21.516 15.200 15.619 278 HB3 GLU 46 HB1 GLU 46 19.814 14.777 15.590 279 HG2 GLU 46 HG2 GLU 46 19.461 16.064 13.627 280 HG3 GLU 46 HG1 GLU 46 21.096 16.714 13.796 281 H GLU 47 HN GLU 47 19.713 18.855 14.856 282 HA GLU 47 HA GLU 47 16.848 18.682 15.250 283 HB2 GLU 47 HB2 GLU 47 18.379 20.840 13.786 284 HB3 GLU 47 HB1 GLU 47 16.667 20.847 14.129 285 HG2 GLU 47 HG2 GLU 47 17.596 22.360 15.625 286 HG3 GLU 47 HG1 GLU 47 17.344 20.903 16.579 287 H ILE 48 HN ILE 48 15.687 17.694 13.742 288 HA ILE 48 HA ILE 48 16.734 17.503 11.056 289 HB ILE 48 HB ILE 48 14.868 15.947 10.639 290 HG12 ILE 48 HG12 ILE 48 14.243 16.276 13.584 291 HG13 ILE 48 HG11 ILE 48 13.280 16.791 12.203 292 HG21 ILE 48 HG21 ILE 48 16.599 15.091 12.940 293 HG22 ILE 48 HG22 ILE 48 16.959 14.936 11.209 294 HG23 ILE 48 HG23 ILE 48 15.638 14.025 11.922 295 HD11 ILE 48 HD11 ILE 48 12.397 14.763 13.195 296 HD12 ILE 48 HD12 ILE 48 13.928 13.934 12.830 297 HD13 ILE 48 HD13 ILE 48 12.912 14.543 11.519 298 H THR 49 HN THR 49 14.638 17.644 9.487 299 HA THR 49 HA THR 49 12.818 19.616 10.507 300 HB THR 49 HB THR 49 13.729 19.819 7.752 301 HG1 THR 49 HG1 THR 49 15.557 20.040 9.380 302 HG21 THR 49 HG21 THR 49 13.071 22.213 8.074 303 HG22 THR 49 HG22 THR 49 12.645 21.801 9.735 304 HG23 THR 49 HG23 THR 49 11.784 21.048 8.394 305 H ILE 50 HN ILE 50 10.931 19.036 10.098 306 HA ILE 50 HA ILE 50 10.434 16.951 8.110 307 HB ILE 50 HB ILE 50 8.968 17.513 10.701 308 HG12 ILE 50 HG12 ILE 50 10.460 15.058 9.792 309 HG13 ILE 50 HG11 ILE 50 11.135 16.313 10.825 310 HG21 ILE 50 HG21 ILE 50 8.333 15.463 8.574 311 HG22 ILE 50 HG22 ILE 50 7.369 16.886 8.965 312 HG23 ILE 50 HG23 ILE 50 7.543 15.584 10.147 313 HD11 ILE 50 HD11 ILE 50 9.411 15.817 12.490 314 HD12 ILE 50 HD12 ILE 50 10.390 14.393 12.140 315 HD13 ILE 50 HD13 ILE 50 8.767 14.544 11.462 316 H GLU 51 HN GLU 51 9.662 18.184 6.395 317 HA GLU 51 HA GLU 51 8.285 19.513 5.168 318 HB2 GLU 51 HB2 GLU 51 6.486 18.829 7.487 319 HB3 GLU 51 HB1 GLU 51 5.917 19.538 5.966 320 HG2 GLU 51 HG2 GLU 51 6.703 17.826 4.734 321 HG3 GLU 51 HG1 GLU 51 7.594 17.060 6.044 322 H GLU 52 HN GLU 52 10.076 20.912 6.422 323 HA GLU 52 HA GLU 52 10.775 22.952 6.893 324 HB2 GLU 52 HB2 GLU 52 7.937 23.829 6.422 325 HB3 GLU 52 HB1 GLU 52 9.327 24.902 6.473 326 HG2 GLU 52 HG2 GLU 52 8.746 22.800 4.423 327 HG3 GLU 52 HG1 GLU 52 8.684 24.562 4.307 328 H TYR 53 HN TYR 53 8.955 21.240 8.901 329 HA TYR 53 HA TYR 53 8.917 23.210 11.067 330 HB2 TYR 53 HB2 TYR 53 8.078 20.306 11.191 331 HB3 TYR 53 HB1 TYR 53 7.584 21.615 12.241 332 HD1 TYR 53 HD2 TYR 53 6.568 23.615 10.315 333 HD2 TYR 53 HD1 TYR 53 6.137 19.370 10.270 334 HE1 TYR 53 HE2 TYR 53 4.483 23.832 9.059 335 HE2 TYR 53 HE1 TYR 53 4.070 19.588 9.023 336 HH TYR 53 HH TYR 53 3.109 22.474 7.543 337 H LYS 54 HN LYS 54 10.975 23.345 12.014 338 HA LYS 54 HA LYS 54 12.549 20.978 11.815 339 HB2 LYS 54 HB2 LYS 54 14.369 22.040 12.798 340 HB3 LYS 54 HB1 LYS 54 13.733 23.154 11.591 341 HG2 LYS 54 HG2 LYS 54 13.240 23.320 14.539 342 HG3 LYS 54 HG1 LYS 54 14.626 24.075 13.748 343 HD2 LYS 54 HD2 LYS 54 11.710 24.663 13.208 344 HD3 LYS 54 HD1 LYS 54 12.793 25.681 14.155 345 HE2 LYS 54 HE2 LYS 54 14.239 25.930 12.139 346 HE3 LYS 54 HE1 LYS 54 13.045 25.018 11.222 347 HZ1 LYS 54 HZ1 LYS 54 12.699 27.340 10.883 348 HZ2 LYS 54 HZ2 LYS 54 12.660 27.642 12.526 349 HZ3 LYS 54 HZ3 LYS 54 11.407 26.770 11.796 350 H VAL 55 HN VAL 55 13.354 19.814 13.381 351 HA VAL 55 HA VAL 55 11.826 19.780 15.892 352 HB VAL 55 HB VAL 55 12.331 17.437 14.053 353 HG11 VAL 55 HG11 VAL 55 10.962 16.152 15.597 354 HG12 VAL 55 HG12 VAL 55 10.844 17.556 16.661 355 HG13 VAL 55 HG13 VAL 55 12.411 16.787 16.381 356 HG21 VAL 55 HG21 VAL 55 9.872 17.331 13.811 357 HG22 VAL 55 HG22 VAL 55 10.545 18.830 13.172 358 HG23 VAL 55 HG23 VAL 55 9.734 18.825 14.737 359 H PHE 56 HN PHE 56 13.240 19.673 17.518 360 HA PHE 56 HA PHE 56 15.958 18.765 17.017 361 HB2 PHE 56 HB2 PHE 56 15.915 20.828 18.185 362 HB3 PHE 56 HB1 PHE 56 14.640 20.253 19.269 363 HD1 PHE 56 HD1 PHE 56 18.179 19.538 18.315 364 HD2 PHE 56 HD2 PHE 56 15.221 19.523 21.369 365 HE1 PHE 56 HE1 PHE 56 19.876 18.858 19.944 366 HE2 PHE 56 HE2 PHE 56 16.898 18.846 23.012 367 HZ PHE 56 HZ PHE 56 19.249 18.507 22.310 368 H VAL 57 HN VAL 57 16.614 16.833 17.621 369 HA VAL 57 HA VAL 57 14.893 15.279 19.415 370 HB VAL 57 HB VAL 57 16.988 14.329 17.440 371 HG11 VAL 57 HG11 VAL 57 16.764 12.844 19.370 372 HG12 VAL 57 HG12 VAL 57 16.129 12.082 17.913 373 HG13 VAL 57 HG13 VAL 57 15.022 12.756 19.111 374 HG21 VAL 57 HG21 VAL 57 13.987 14.200 17.318 375 HG22 VAL 57 HG22 VAL 57 15.094 13.464 16.160 376 HG23 VAL 57 HG23 VAL 57 15.024 15.227 16.323 377 H ASN 58 HN ASN 58 15.631 15.046 21.377 378 HA ASN 58 HA ASN 58 18.262 15.804 22.176 379 HB2 ASN 58 HB2 ASN 58 16.397 16.353 23.573 380 HB3 ASN 58 HB1 ASN 58 15.800 14.688 23.576 381 HD21 ASN 58 HD21 ASN 58 15.689 14.577 25.777 382 HD22 ASN 58 HD22 ASN 58 17.058 14.578 26.812 383 H GLU 59 HN GLU 59 19.375 14.229 23.651 384 HA GLU 59 HA GLU 59 20.058 11.927 22.101 385 HB2 GLU 59 HB2 GLU 59 21.830 11.490 23.702 386 HB3 GLU 59 HB1 GLU 59 21.804 13.169 23.194 387 HG2 GLU 59 HG2 GLU 59 20.491 13.619 25.285 388 HG3 GLU 59 HG1 GLU 59 20.977 12.007 25.821 389 H ALA 60 HN ALA 60 17.669 12.283 24.320 390 HA ALA 60 HA ALA 60 17.691 9.502 25.052 391 HB1 ALA 60 HB1 ALA 60 15.669 9.987 26.320 392 HB2 ALA 60 HB2 ALA 60 15.679 11.648 25.712 393 HB3 ALA 60 HB3 ALA 60 16.992 11.069 26.770 394 H CYS 61 HN CYS 61 17.145 11.118 22.429 395 HA CYS 61 HA CYS 61 16.178 10.738 20.450 396 HB2 CYS 61 HB2 CYS 61 15.718 8.057 21.730 397 HB3 CYS 61 HB1 CYS 61 15.539 8.383 20.003 398 H HIS 62 HN HIS 62 14.795 12.067 22.176 399 HA HIS 62 HA HIS 62 12.142 11.448 21.105 400 HB2 HIS 62 HB2 HIS 62 12.413 11.170 23.713 401 HB3 HIS 62 HB1 HIS 62 12.232 12.931 23.715 402 HD1 HIS 62 HD1 HIS 62 9.812 13.611 24.001 403 HD2 HIS 62 HD2 HIS 62 10.236 9.986 22.037 404 HE1 HIS 62 HE1 HIS 62 7.471 12.828 23.450 405 HA PRO 63 HA PRO 63 12.794 15.386 19.292 406 HB2 PRO 63 HB2 PRO 63 10.656 15.473 17.766 407 HB3 PRO 63 HB1 PRO 63 11.858 14.186 17.525 408 HG2 PRO 63 HG2 PRO 63 9.257 14.046 18.968 409 HG3 PRO 63 HG1 PRO 63 9.950 12.921 17.775 410 HD2 PRO 63 HD2 PRO 63 10.123 12.491 20.445 411 HD3 PRO 63 HD1 PRO 63 11.321 11.944 19.258 412 H TYR 64 HN TYR 64 12.118 17.425 19.214 413 HA TYR 64 HA TYR 64 9.637 18.217 20.463 414 HB2 TYR 64 HB2 TYR 64 12.327 19.428 20.935 415 HB3 TYR 64 HB1 TYR 64 10.872 20.429 21.014 416 HD1 TYR 64 HD2 TYR 64 9.184 19.994 22.712 417 HD2 TYR 64 HD1 TYR 64 12.843 17.945 22.536 418 HE1 TYR 64 HE2 TYR 64 8.889 19.334 25.095 419 HE2 TYR 64 HE1 TYR 64 12.614 17.244 24.939 420 HH TYR 64 HH TYR 64 9.690 17.612 26.647 421 HA PRO 65 HA PRO 65 8.301 19.511 20.505 422 HB2 PRO 65 HB2 PRO 65 6.074 20.311 19.281 423 HB3 PRO 65 HB1 PRO 65 7.290 21.490 19.829 424 HG2 PRO 65 HG2 PRO 65 6.789 20.413 17.155 425 HG3 PRO 65 HG1 PRO 65 7.224 22.097 17.656 426 HD2 PRO 65 HD2 PRO 65 8.963 20.219 16.563 427 HD3 PRO 65 HD1 PRO 65 9.444 21.617 17.539 428 H VAL 66 HN VAL 66 6.499 18.079 20.812 429 HA VAL 66 HA VAL 66 6.750 15.700 19.214 430 HB VAL 66 HB VAL 66 5.144 16.276 21.720 431 HG11 VAL 66 HG11 VAL 66 5.662 13.624 20.366 432 HG12 VAL 66 HG12 VAL 66 4.104 14.443 20.442 433 HG13 VAL 66 HG13 VAL 66 4.858 13.846 21.921 434 HG21 VAL 66 HG21 VAL 66 7.535 16.387 22.039 435 HG22 VAL 66 HG22 VAL 66 7.745 14.842 21.240 436 HG23 VAL 66 HG23 VAL 66 6.912 14.917 22.793 437 H ILE 67 HN ILE 67 4.294 18.138 19.905 438 HA ILE 67 HA ILE 67 2.758 16.907 17.821 439 HB ILE 67 HB ILE 67 1.918 18.859 19.919 440 HG12 ILE 67 HG12 ILE 67 1.450 16.573 20.516 441 HG13 ILE 67 HG11 ILE 67 -0.023 17.411 19.974 442 HG21 ILE 67 HG21 ILE 67 1.123 19.916 17.881 443 HG22 ILE 67 HG22 ILE 67 -0.219 19.286 18.830 444 HG23 ILE 67 HG23 ILE 67 0.336 18.413 17.399 445 HD11 ILE 67 HD11 ILE 67 0.037 15.127 19.180 446 HD12 ILE 67 HD12 ILE 67 1.493 15.484 18.268 447 HD13 ILE 67 HD13 ILE 67 -0.012 16.316 17.882 448 H LEU 68 HN LEU 68 2.932 17.468 16.021 449 HA LEU 68 HA LEU 68 4.384 19.853 15.220 450 HB2 LEU 68 HB2 LEU 68 2.993 17.761 13.547 451 HB3 LEU 68 HB1 LEU 68 3.852 19.120 12.864 452 HG LEU 68 HG LEU 68 5.012 16.813 14.404 453 HD11 LEU 68 HD11 LEU 68 6.216 16.452 12.300 454 HD12 LEU 68 HD12 LEU 68 5.371 17.837 11.606 455 HD13 LEU 68 HD13 LEU 68 4.459 16.401 12.076 456 HD21 LEU 68 HD21 LEU 68 6.393 19.307 13.398 457 HD22 LEU 68 HD22 LEU 68 7.205 17.870 14.015 458 HD23 LEU 68 HD23 LEU 68 6.197 18.836 15.089 459 HA PRO 69 HA PRO 69 0.976 22.581 14.641 460 HB2 PRO 69 HB2 PRO 69 1.757 23.433 12.006 461 HB3 PRO 69 HB1 PRO 69 1.873 24.344 13.531 462 HG2 PRO 69 HG2 PRO 69 4.105 23.559 12.305 463 HG3 PRO 69 HG1 PRO 69 3.938 23.492 14.080 464 HD2 PRO 69 HD2 PRO 69 3.561 21.277 12.112 465 HD3 PRO 69 HD1 PRO 69 4.577 21.237 13.558 466 H ASP 70 HN ASP 70 1.442 20.124 12.636 467 HA ASP 70 HA ASP 70 -0.910 20.290 10.979 468 HB2 ASP 70 HB2 ASP 70 1.107 19.448 9.966 469 HB3 ASP 70 HB1 ASP 70 1.345 18.299 11.268 470 H ARG 71 HN ARG 71 -0.112 19.270 14.087 471 HA ARG 71 HA ARG 71 -0.799 17.835 15.587 472 HB2 ARG 71 HB2 ARG 71 -2.994 18.742 15.512 473 HB3 ARG 71 HB1 ARG 71 -3.408 17.821 14.067 474 HG2 ARG 71 HG2 ARG 71 -3.234 15.747 15.332 475 HG3 ARG 71 HG1 ARG 71 -2.815 16.722 16.741 476 HD2 ARG 71 HD2 ARG 71 -5.364 17.185 15.282 477 HD3 ARG 71 HD1 ARG 71 -5.260 15.878 16.459 478 HE ARG 71 HE ARG 71 -4.287 18.081 17.719 479 HH11 ARG 71 HH11 ARG 71 -7.327 17.415 16.034 480 HH12 ARG 71 HH12 ARG 71 -8.302 18.229 17.154 481 HH21 ARG 71 HH21 ARG 71 -5.656 19.194 19.291 482 HH22 ARG 71 HH22 ARG 71 -7.338 19.243 19.045 483 H SER 72 HN SER 72 0.896 16.899 14.412 484 HA SER 72 HA SER 72 0.158 14.145 14.069 485 HB2 SER 72 HB2 SER 72 2.385 15.621 12.634 486 HB3 SER 72 HB1 SER 72 2.304 13.850 12.748 487 HG SER 72 HG SER 72 0.621 15.602 11.290 488 H VAL 73 HN VAL 73 1.293 12.728 15.145 489 HA VAL 73 HA VAL 73 2.420 13.670 17.653 490 HB VAL 73 HB VAL 73 1.138 11.187 16.578 491 HG11 VAL 73 HG11 VAL 73 2.751 11.178 19.147 492 HG12 VAL 73 HG12 VAL 73 3.139 10.326 17.643 493 HG13 VAL 73 HG13 VAL 73 1.696 9.883 18.532 494 HG21 VAL 73 HG21 VAL 73 0.732 12.741 19.091 495 HG22 VAL 73 HG22 VAL 73 -0.156 11.294 18.597 496 HG23 VAL 73 HG23 VAL 73 -0.276 12.770 17.628 497 H LEU 74 HN LEU 74 4.613 13.881 17.613 498 HA LEU 74 HA LEU 74 6.052 11.952 16.014 499 HB2 LEU 74 HB2 LEU 74 6.769 14.573 17.152 500 HB3 LEU 74 HB1 LEU 74 7.978 13.292 17.248 501 HG LEU 74 HG LEU 74 8.137 13.076 14.941 502 HD11 LEU 74 HD11 LEU 74 6.745 14.309 13.384 503 HD12 LEU 74 HD12 LEU 74 5.748 14.891 14.742 504 HD13 LEU 74 HD13 LEU 74 5.812 13.175 14.355 505 HD21 LEU 74 HD21 LEU 74 9.278 14.978 15.920 506 HD22 LEU 74 HD22 LEU 74 7.874 16.002 15.597 507 HD23 LEU 74 HD23 LEU 74 8.788 15.301 14.260 508 H SER 75 HN SER 75 6.785 10.235 16.735 509 HA SER 75 HA SER 75 7.178 10.057 19.642 510 HB2 SER 75 HB2 SER 75 6.192 7.864 17.811 511 HB3 SER 75 HB1 SER 75 6.547 7.662 19.534 512 HG SER 75 HG SER 75 4.986 9.806 19.045 513 H GLY 76 HN GLY 76 9.148 9.787 20.210 514 HA2 GLY 76 HA2 GLY 76 10.984 8.809 18.153 515 HA3 GLY 76 HA1 GLY 76 11.408 9.982 19.404 516 H ASP 77 HN ASP 77 12.600 7.491 18.738 517 HA ASP 77 HA ASP 77 12.973 6.572 21.483 518 HB2 ASP 77 HB2 ASP 77 11.078 5.165 20.144 519 HB3 ASP 77 HB1 ASP 77 12.530 4.377 19.545 520 H PHE 78 HN PHE 78 14.645 4.752 21.263 521 HA PHE 78 HA PHE 78 16.790 5.895 19.639 522 HB2 PHE 78 HB2 PHE 78 16.698 3.525 21.427 523 HB3 PHE 78 HB1 PHE 78 18.176 4.134 20.693 524 HD1 PHE 78 HD2 PHE 78 15.468 5.110 23.143 525 HD2 PHE 78 HD1 PHE 78 19.523 5.663 21.899 526 HE1 PHE 78 HE2 PHE 78 15.911 6.442 25.137 527 HE2 PHE 78 HE1 PHE 78 19.946 6.987 23.895 528 HZ PHE 78 HZ PHE 78 18.148 7.385 25.525 529 H THR 79 HN THR 79 17.544 4.847 17.724 530 HA THR 79 HA THR 79 15.681 3.199 16.385 531 HB THR 79 HB THR 79 18.456 3.330 15.495 532 HG1 THR 79 HG1 THR 79 18.386 5.401 15.152 533 HG21 THR 79 HG21 THR 79 15.793 3.705 14.218 534 HG22 THR 79 HG22 THR 79 16.905 2.331 14.029 535 HG23 THR 79 HG23 THR 79 17.325 3.928 13.386 536 H SER 80 HN SER 80 18.381 2.488 18.385 537 HA SER 80 HA SER 80 19.079 -0.048 17.259 538 HB2 SER 80 HB2 SER 80 20.535 1.432 18.733 539 HB3 SER 80 HB1 SER 80 19.579 0.895 20.084 540 HG SER 80 HG SER 80 21.092 -0.831 18.394 541 H ALA 81 HN ALA 81 17.035 1.047 19.853 542 HA ALA 81 HA ALA 81 16.085 -1.592 20.434 543 HB1 ALA 81 HB1 ALA 81 16.311 0.064 22.272 544 HB2 ALA 81 HB2 ALA 81 14.643 -0.503 22.103 545 HB3 ALA 81 HB3 ALA 81 15.101 1.068 21.463 546 H TYR 82 HN TYR 82 15.637 -0.216 17.895 547 HA TYR 82 HA TYR 82 12.773 -0.597 17.741 548 HB2 TYR 82 HB2 TYR 82 14.122 1.862 17.341 549 HB3 TYR 82 HB1 TYR 82 13.277 1.413 15.854 550 HD1 TYR 82 HD2 TYR 82 12.618 1.263 19.520 551 HD2 TYR 82 HD1 TYR 82 11.201 2.299 15.672 552 HE1 TYR 82 HE2 TYR 82 10.521 1.980 20.527 553 HE2 TYR 82 HE1 TYR 82 9.075 3.028 16.623 554 HH TYR 82 HH TYR 82 8.650 3.490 19.970 555 H ALA 83 HN ALA 83 15.355 0.228 15.383 556 HA ALA 83 HA ALA 83 14.167 -1.674 13.607 557 HB1 ALA 83 HB1 ALA 83 14.750 0.541 12.723 558 HB2 ALA 83 HB2 ALA 83 15.641 -0.728 11.887 559 HB3 ALA 83 HB3 ALA 83 16.440 0.252 13.121 560 H ASP 84 HN ASP 84 16.335 -1.612 15.961 561 HA ASP 84 HA ASP 84 17.528 -3.198 17.004 562 HB2 ASP 84 HB2 ASP 84 15.977 -4.864 16.052 563 HB3 ASP 84 HB1 ASP 84 16.961 -4.933 14.606 564 H ASP 85 HN ASP 85 18.404 -1.261 15.002 565 HA ASP 85 HA ASP 85 20.680 -1.750 13.598 566 HB2 ASP 85 HB2 ASP 85 20.258 0.550 15.506 567 HB3 ASP 85 HB1 ASP 85 21.431 0.496 14.198 568 H ASP 86 HN ASP 86 22.387 -2.908 14.104 569 HA ASP 86 HA ASP 86 23.385 -2.833 16.835 570 HB2 ASP 86 HB2 ASP 86 23.228 -5.053 15.767 571 HB3 ASP 86 HB1 ASP 86 24.348 -4.523 14.522 572 H GLU 87 HN GLU 87 24.249 -0.956 17.039 573 HA GLU 87 HA GLU 87 26.415 -0.006 15.251 574 HB2 GLU 87 HB2 GLU 87 24.429 1.394 16.068 575 HB3 GLU 87 HB1 GLU 87 25.241 1.255 17.635 576 HG2 GLU 87 HG2 GLU 87 25.715 3.369 16.560 577 HG3 GLU 87 HG1 GLU 87 27.181 2.412 16.770 578 H SER 88 HN SER 88 26.674 -2.395 16.833 579 HA SER 88 HA SER 88 27.822 -3.505 18.371 580 HB2 SER 88 HB2 SER 88 29.437 -0.950 18.659 581 HB3 SER 88 HB1 SER 88 29.904 -2.522 19.320 582 HG SER 88 HG SER 88 30.254 -1.550 16.863 583 H CYS 89 HN CYS 89 25.590 -1.772 18.794 584 HA CYS 89 HA CYS 89 25.418 -1.675 21.694 585 HB2 CYS 89 HB2 CYS 89 24.024 0.111 19.651 586 HB3 CYS 89 HB1 CYS 89 23.894 0.237 21.399 587 HG CYS 89 HG CYS 89 26.925 0.706 19.913
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