NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634606 | 6c00 | 27349 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 19.323 -2.269 16.391 2 HB2 MET 1 HB2 MET 1 19.177 0.549 15.208 3 HB3 MET 1 HB1 MET 1 20.621 -0.259 15.808 4 HG2 MET 1 HG2 MET 1 18.941 -1.069 13.429 5 HG3 MET 1 HG1 MET 1 20.540 -0.377 13.374 6 HE1 MET 1 HE1 MET 1 18.973 -3.270 12.231 7 HE2 MET 1 HE2 MET 1 18.285 -3.274 13.855 8 HE3 MET 1 HE3 MET 1 19.297 -4.616 13.323 9 H ALA 2 HN ALA 2 16.504 -0.853 17.109 10 HA ALA 2 HA ALA 2 17.193 -0.366 19.834 11 HB1 ALA 2 HB1 ALA 2 16.691 2.223 19.626 12 HB2 ALA 2 HB2 ALA 2 17.157 2.010 17.941 13 HB3 ALA 2 HB3 ALA 2 18.307 1.651 19.226 14 H LYS 3 HN LYS 3 15.236 -1.783 19.470 15 HA LYS 3 HA LYS 3 12.745 -0.216 19.025 16 HB2 LYS 3 HB2 LYS 3 13.499 -3.143 19.050 17 HB3 LYS 3 HB1 LYS 3 11.829 -2.714 19.402 18 HG2 LYS 3 HG2 LYS 3 12.101 -3.106 16.991 19 HG3 LYS 3 HG1 LYS 3 11.739 -1.408 17.285 20 HD2 LYS 3 HD2 LYS 3 14.119 -0.838 17.114 21 HD3 LYS 3 HD1 LYS 3 14.536 -2.539 16.925 22 HE2 LYS 3 HE2 LYS 3 12.865 -2.465 14.910 23 HE3 LYS 3 HE1 LYS 3 13.097 -0.723 14.998 24 HZ1 LYS 3 HZ1 LYS 3 14.638 -2.224 13.541 25 HZ2 LYS 3 HZ2 LYS 3 15.467 -2.440 15.007 26 HZ3 LYS 3 HZ3 LYS 3 15.261 -0.879 14.370 27 H LYS 4 HN LYS 4 11.848 0.682 20.765 28 HA LYS 4 HA LYS 4 11.197 -0.866 23.104 29 HB2 LYS 4 HB2 LYS 4 12.654 0.492 24.700 30 HB3 LYS 4 HB1 LYS 4 13.572 -0.577 23.645 31 HG2 LYS 4 HG2 LYS 4 13.682 1.487 22.044 32 HG3 LYS 4 HG1 LYS 4 13.251 2.418 23.475 33 HD2 LYS 4 HD2 LYS 4 15.183 1.201 24.658 34 HD3 LYS 4 HD1 LYS 4 15.687 0.670 23.057 35 HE2 LYS 4 HE2 LYS 4 16.069 2.898 22.318 36 HE3 LYS 4 HE1 LYS 4 15.158 3.586 23.657 37 HZ1 LYS 4 HZ1 LYS 4 16.852 3.191 25.135 38 HZ2 LYS 4 HZ2 LYS 4 17.712 3.604 23.730 39 HZ3 LYS 4 HZ3 LYS 4 17.562 1.975 24.185 40 H ASP 5 HN ASP 5 9.452 0.009 23.985 41 HA ASP 5 HA ASP 5 8.881 2.898 23.430 42 HB2 ASP 5 HB2 ASP 5 6.819 0.789 24.183 43 HB3 ASP 5 HB1 ASP 5 6.558 2.310 23.336 44 H VAL 6 HN VAL 6 6.800 3.266 25.189 45 HA VAL 6 HA VAL 6 7.851 2.565 27.881 46 HB VAL 6 HB VAL 6 7.303 5.189 28.310 47 HG11 VAL 6 HG11 VAL 6 9.423 4.287 28.925 48 HG12 VAL 6 HG12 VAL 6 9.791 5.600 27.813 49 HG13 VAL 6 HG13 VAL 6 9.844 3.934 27.256 50 HG21 VAL 6 HG21 VAL 6 8.528 5.287 25.555 51 HG22 VAL 6 HG22 VAL 6 7.734 6.575 26.454 52 HG23 VAL 6 HG23 VAL 6 6.777 5.278 25.747 53 H ILE 7 HN ILE 7 6.346 3.598 29.599 54 HA ILE 7 HA ILE 7 3.530 3.104 28.675 55 HB ILE 7 HB ILE 7 4.721 3.020 31.497 56 HG12 ILE 7 HG12 ILE 7 5.665 1.224 30.168 57 HG13 ILE 7 HG11 ILE 7 4.432 0.539 31.220 58 HG21 ILE 7 HG21 ILE 7 1.992 2.716 30.296 59 HG22 ILE 7 HG22 ILE 7 2.439 3.199 31.930 60 HG23 ILE 7 HG23 ILE 7 2.423 1.495 31.489 61 HD11 ILE 7 HD11 ILE 7 3.895 -0.417 29.141 62 HD12 ILE 7 HD12 ILE 7 4.308 1.047 28.254 63 HD13 ILE 7 HD13 ILE 7 2.823 0.980 29.196 64 H GLU 8 HN GLU 8 2.753 5.081 28.136 65 HA GLU 8 HA GLU 8 3.383 7.439 29.755 66 HB2 GLU 8 HB2 GLU 8 1.457 6.970 27.427 67 HB3 GLU 8 HB1 GLU 8 1.750 8.548 28.150 68 HG2 GLU 8 HG2 GLU 8 3.846 8.731 27.221 69 HG3 GLU 8 HG1 GLU 8 4.169 7.005 27.362 70 H LEU 9 HN LEU 9 2.418 7.792 31.624 71 HA LEU 9 HA LEU 9 -0.519 7.246 31.844 72 HB2 LEU 9 HB2 LEU 9 1.754 6.452 33.689 73 HB3 LEU 9 HB1 LEU 9 0.156 6.754 34.365 74 HG LEU 9 HG LEU 9 0.666 4.858 32.052 75 HD11 LEU 9 HD11 LEU 9 0.361 3.060 33.739 76 HD12 LEU 9 HD12 LEU 9 0.289 4.275 35.011 77 HD13 LEU 9 HD13 LEU 9 1.778 4.041 34.102 78 HD21 LEU 9 HD21 LEU 9 -1.656 4.091 33.228 79 HD22 LEU 9 HD22 LEU 9 -1.595 5.261 31.913 80 HD23 LEU 9 HD23 LEU 9 -1.701 5.816 33.580 81 H GLU 10 HN GLU 10 -1.534 8.467 33.635 82 HA GLU 10 HA GLU 10 -0.351 11.185 33.740 83 HB2 GLU 10 HB2 GLU 10 -3.114 10.249 34.633 84 HB3 GLU 10 HB1 GLU 10 -2.611 11.913 34.360 85 HG2 GLU 10 HG2 GLU 10 -2.253 11.430 31.968 86 HG3 GLU 10 HG1 GLU 10 -2.702 9.747 32.227 87 H GLY 11 HN GLY 11 0.022 12.313 35.660 88 HA2 GLY 11 HA2 GLY 11 -0.549 10.947 38.214 89 HA3 GLY 11 HA1 GLY 11 1.161 11.080 37.812 90 H THR 12 HN THR 12 -0.187 12.332 40.039 91 HA THR 12 HA THR 12 -0.104 15.204 39.223 92 HB THR 12 HB THR 12 -1.267 13.809 41.708 93 HG1 THR 12 HG1 THR 12 -2.138 14.913 39.275 94 HG21 THR 12 HG21 THR 12 -0.581 16.081 42.393 95 HG22 THR 12 HG22 THR 12 -2.294 16.182 41.997 96 HG23 THR 12 HG23 THR 12 -1.090 16.752 40.846 97 H VAL 13 HN VAL 13 1.610 16.360 39.734 98 HA VAL 13 HA VAL 13 3.836 15.225 41.116 99 HB VAL 13 HB VAL 13 3.255 18.209 40.901 100 HG11 VAL 13 HG21 VAL 13 5.282 17.978 42.028 101 HG12 VAL 13 HG22 VAL 13 5.849 17.975 40.360 102 HG13 VAL 13 HG23 VAL 13 5.665 16.455 41.232 103 HG21 VAL 13 HG11 VAL 13 2.876 16.821 38.737 104 HG22 VAL 13 HG12 VAL 13 4.617 16.581 38.764 105 HG23 VAL 13 HG13 VAL 13 3.955 18.205 38.645 106 H SER 14 HN SER 14 3.870 14.694 43.169 107 HA SER 14 HA SER 14 2.137 16.116 45.058 108 HB2 SER 14 HB2 SER 14 4.120 13.930 45.806 109 HB3 SER 14 HB1 SER 14 2.517 14.251 46.496 110 HG SER 14 HG SER 14 3.225 13.030 44.085 111 H GLU 15 HN GLU 15 5.560 15.864 44.306 112 HA GLU 15 HA GLU 15 6.024 18.207 46.032 113 HB2 GLU 15 HB2 GLU 15 6.376 15.725 47.174 114 HB3 GLU 15 HB1 GLU 15 7.982 16.007 46.511 115 HG2 GLU 15 HG2 GLU 15 6.483 17.984 48.267 116 HG3 GLU 15 HG1 GLU 15 7.733 16.887 48.847 117 H ALA 16 HN ALA 16 8.113 19.160 45.741 118 HA ALA 16 HA ALA 16 9.476 18.292 43.224 119 HB1 ALA 16 HB1 ALA 16 9.973 20.953 43.234 120 HB2 ALA 16 HB2 ALA 16 8.463 20.974 44.139 121 HB3 ALA 16 HB3 ALA 16 8.504 20.304 42.510 122 H LEU 17 HN LEU 17 11.532 17.826 43.475 123 HA LEU 17 HA LEU 17 12.988 19.066 45.761 124 HB2 LEU 17 HB2 LEU 17 14.371 16.706 45.055 125 HB3 LEU 17 HB1 LEU 17 13.360 16.922 46.475 126 HG LEU 17 HG LEU 17 11.392 16.370 44.813 127 HD11 LEU 17 HD21 LEU 17 13.125 16.413 42.878 128 HD12 LEU 17 HD22 LEU 17 11.982 15.078 42.910 129 HD13 LEU 17 HD23 LEU 17 13.629 14.839 43.483 130 HD21 LEU 17 HD11 LEU 17 12.181 14.992 46.754 131 HD22 LEU 17 HD12 LEU 17 13.339 14.215 45.679 132 HD23 LEU 17 HD13 LEU 17 11.612 14.017 45.403 133 HA PRO 18 HA PRO 18 16.056 20.657 43.164 134 HB2 PRO 18 HB2 PRO 18 18.312 19.295 44.406 135 HB3 PRO 18 HB1 PRO 18 17.821 20.977 44.608 136 HG2 PRO 18 HG2 PRO 18 17.503 18.798 46.500 137 HG3 PRO 18 HG1 PRO 18 17.039 20.487 46.713 138 HD2 PRO 18 HD1 PRO 18 15.286 18.245 46.316 139 HD3 PRO 18 HD2 PRO 18 14.836 19.957 46.417 140 H ASN 19 HN ASN 19 18.142 19.927 41.945 141 HA ASN 19 HA ASN 19 19.145 18.467 40.431 142 HB2 ASN 19 HB2 ASN 19 18.365 16.783 42.468 143 HB3 ASN 19 HB1 ASN 19 17.428 16.133 41.125 144 HD21 ASN 19 HD21 ASN 19 20.458 16.006 42.611 145 HD22 ASN 19 HD22 ASN 19 21.342 15.327 41.332 146 H ALA 20 HN ALA 20 16.367 19.774 40.220 147 HA ALA 20 HA ALA 20 14.730 19.957 38.561 148 HB1 ALA 20 HB1 ALA 20 17.028 19.780 37.234 149 HB2 ALA 20 HB2 ALA 20 15.516 19.603 36.347 150 HB3 ALA 20 HB3 ALA 20 16.444 18.177 36.802 151 H MET 21 HN MET 21 14.095 18.079 40.360 152 HA MET 21 HA MET 21 12.747 16.054 38.703 153 HB2 MET 21 HB2 MET 21 14.429 15.521 41.203 154 HB3 MET 21 HB1 MET 21 13.314 14.344 40.521 155 HG2 MET 21 HG2 MET 21 14.540 14.232 38.480 156 HG3 MET 21 HG1 MET 21 15.490 15.630 38.892 157 HE1 MET 21 HE1 MET 21 15.878 12.284 38.023 158 HE2 MET 21 HE2 MET 21 17.576 12.199 38.479 159 HE3 MET 21 HE3 MET 21 16.967 13.603 37.603 160 H PHE 22 HN PHE 22 11.151 14.884 40.120 161 HA PHE 22 HA PHE 22 10.214 16.307 42.475 162 HB2 PHE 22 HB2 PHE 22 7.863 16.478 41.051 163 HB3 PHE 22 HB1 PHE 22 8.998 17.811 41.189 164 HD1 PHE 22 HD1 PHE 22 9.654 14.736 39.212 165 HD2 PHE 22 HD2 PHE 22 8.559 18.841 39.077 166 HE1 PHE 22 HE1 PHE 22 9.947 14.734 36.786 167 HE2 PHE 22 HE2 PHE 22 8.835 18.829 36.644 168 HZ PHE 22 HZ PHE 22 9.531 16.777 35.507 169 H LYS 23 HN LYS 23 8.149 15.403 43.283 170 HA LYS 23 HA LYS 23 8.131 12.464 42.795 171 HB2 LYS 23 HB2 LYS 23 8.348 13.705 45.160 172 HB3 LYS 23 HB1 LYS 23 6.604 13.876 45.015 173 HG2 LYS 23 HG2 LYS 23 6.350 11.446 44.773 174 HG3 LYS 23 HG1 LYS 23 8.097 11.238 44.801 175 HD2 LYS 23 HD2 LYS 23 8.194 12.126 47.095 176 HD3 LYS 23 HD1 LYS 23 6.460 12.431 47.070 177 HE2 LYS 23 HE2 LYS 23 6.373 10.354 48.048 178 HE3 LYS 23 HE1 LYS 23 6.467 9.808 46.380 179 HZ1 LYS 23 HZ1 LYS 23 8.622 9.958 48.386 180 HZ2 LYS 23 HZ2 LYS 23 8.970 9.885 46.726 181 HZ3 LYS 23 HZ3 LYS 23 8.112 8.623 47.471 182 H VAL 24 HN VAL 24 6.248 11.412 42.223 183 HA VAL 24 HA VAL 24 3.857 13.132 41.716 184 HB VAL 24 HB VAL 24 5.298 11.231 39.844 185 HG11 VAL 24 HG11 VAL 24 3.212 10.419 39.339 186 HG12 VAL 24 HG12 VAL 24 3.070 11.935 38.453 187 HG13 VAL 24 HG13 VAL 24 2.392 11.798 40.069 188 HG21 VAL 24 HG21 VAL 24 5.358 13.096 38.392 189 HG22 VAL 24 HG22 VAL 24 5.659 13.799 39.975 190 HG23 VAL 24 HG23 VAL 24 4.059 13.918 39.249 191 H LYS 25 HN LYS 25 1.957 12.284 42.193 192 HA LYS 25 HA LYS 25 1.959 9.458 43.195 193 HB2 LYS 25 HB2 LYS 25 0.215 10.139 44.730 194 HB3 LYS 25 HB1 LYS 25 1.447 11.389 44.807 195 HG2 LYS 25 HG2 LYS 25 0.053 12.518 42.904 196 HG3 LYS 25 HG1 LYS 25 -1.243 11.474 43.470 197 HD2 LYS 25 HD2 LYS 25 0.347 13.200 45.381 198 HD3 LYS 25 HD1 LYS 25 -1.072 13.820 44.547 199 HE2 LYS 25 HE2 LYS 25 -1.118 11.249 46.151 200 HE3 LYS 25 HE1 LYS 25 -1.500 12.813 46.859 201 HZ1 LYS 25 HZ1 LYS 25 -3.359 13.059 45.506 202 HZ2 LYS 25 HZ2 LYS 25 -3.413 11.430 45.985 203 HZ3 LYS 25 HZ3 LYS 25 -2.868 11.840 44.429 204 H LEU 26 HN LEU 26 0.791 8.028 42.137 205 HA LEU 26 HA LEU 26 -0.946 8.892 39.967 206 HB2 LEU 26 HB2 LEU 26 -0.242 6.098 40.976 207 HB3 LEU 26 HB1 LEU 26 -0.987 6.478 39.426 208 HG LEU 26 HG LEU 26 1.148 8.070 39.214 209 HD11 LEU 26 HD21 LEU 26 3.115 6.699 40.152 210 HD12 LEU 26 HD22 LEU 26 1.926 5.933 41.200 211 HD13 LEU 26 HD23 LEU 26 2.202 7.668 41.302 212 HD21 LEU 26 HD11 LEU 26 1.334 5.069 38.809 213 HD22 LEU 26 HD12 LEU 26 2.204 6.307 37.911 214 HD23 LEU 26 HD13 LEU 26 0.460 6.152 37.730 215 H GLU 27 HN GLU 27 -3.123 8.224 39.760 216 HA GLU 27 HA GLU 27 -4.706 8.554 42.086 217 HB2 GLU 27 HB2 GLU 27 -5.906 6.902 39.910 218 HB3 GLU 27 HB1 GLU 27 -6.472 8.421 40.594 219 HG2 GLU 27 HG2 GLU 27 -5.832 9.035 38.405 220 HG3 GLU 27 HG1 GLU 27 -4.426 9.478 39.367 221 H ASN 28 HN ASN 28 -3.036 5.807 40.933 222 HA ASN 28 HA ASN 28 -4.737 3.781 42.080 223 HB2 ASN 28 HB2 ASN 28 -1.714 3.672 41.625 224 HB3 ASN 28 HB1 ASN 28 -2.813 2.302 41.713 225 HD21 ASN 28 HD21 ASN 28 -1.115 2.941 39.423 226 HD22 ASN 28 HD22 ASN 28 -2.148 3.252 38.112 227 H GLY 29 HN GLY 29 -2.646 6.087 43.435 228 HA2 GLY 29 HA2 GLY 29 -2.668 6.451 45.853 229 HA3 GLY 29 HA1 GLY 29 -2.860 4.718 46.076 230 H HIS 30 HN HIS 30 -0.704 4.666 43.748 231 HA HIS 30 HA HIS 30 1.535 4.445 45.657 232 HB2 HIS 30 HB2 HIS 30 1.614 4.006 42.639 233 HB3 HIS 30 HB1 HIS 30 2.668 3.292 43.862 234 HD1 HIS 30 HD1 HIS 30 -0.445 2.721 42.213 235 HD2 HIS 30 HD2 HIS 30 1.299 1.412 45.626 236 HE1 HIS 30 HE1 HIS 30 -1.753 0.801 42.876 237 H GLU 31 HN GLU 31 3.721 5.192 44.692 238 HA GLU 31 HA GLU 31 3.455 7.856 43.432 239 HB2 GLU 31 HB2 GLU 31 4.938 8.842 45.123 240 HB3 GLU 31 HB1 GLU 31 3.620 8.045 45.974 241 HG2 GLU 31 HG2 GLU 31 6.385 6.884 45.480 242 HG3 GLU 31 HG1 GLU 31 5.758 7.451 47.027 243 H ILE 32 HN ILE 32 5.274 8.544 42.278 244 HA ILE 32 HA ILE 32 7.530 6.637 42.096 245 HB ILE 32 HB ILE 32 5.719 7.490 39.880 246 HG12 ILE 32 HG12 ILE 32 6.834 4.773 40.547 247 HG13 ILE 32 HG11 ILE 32 5.305 5.366 41.181 248 HG21 ILE 32 HG21 ILE 32 7.574 6.142 38.507 249 HG22 ILE 32 HG22 ILE 32 8.617 6.667 39.824 250 HG23 ILE 32 HG23 ILE 32 7.797 7.860 38.822 251 HD11 ILE 32 HD11 ILE 32 4.890 5.913 38.585 252 HD12 ILE 32 HD12 ILE 32 4.515 4.334 39.270 253 HD13 ILE 32 HD13 ILE 32 6.021 4.577 38.391 254 H LEU 33 HN LEU 33 9.433 7.502 41.157 255 HA LEU 33 HA LEU 33 9.604 10.397 41.562 256 HB2 LEU 33 HB2 LEU 33 11.727 8.344 40.763 257 HB3 LEU 33 HB1 LEU 33 12.049 10.004 41.251 258 HG LEU 33 HG LEU 33 10.437 8.271 43.086 259 HD11 LEU 33 HD21 LEU 33 12.412 7.284 44.048 260 HD12 LEU 33 HD22 LEU 33 13.468 8.255 43.028 261 HD13 LEU 33 HD23 LEU 33 12.492 6.972 42.317 262 HD21 LEU 33 HD11 LEU 33 11.411 9.715 44.756 263 HD22 LEU 33 HD12 LEU 33 10.918 10.751 43.421 264 HD23 LEU 33 HD13 LEU 33 12.613 10.316 43.619 265 H CYS 34 HN CYS 34 10.215 11.865 39.955 266 HA CYS 34 HA CYS 34 10.319 10.762 37.188 267 HB2 CYS 34 HB2 CYS 34 8.821 12.871 36.672 268 HB3 CYS 34 HB1 CYS 34 8.094 11.371 37.161 269 HG CYS 34 HG1 CYS 34 7.075 13.477 38.442 270 H HIS 35 HN HIS 35 11.414 11.977 35.709 271 HA HIS 35 HA HIS 35 12.943 14.302 36.836 272 HB2 HIS 35 HB2 HIS 35 14.400 12.337 36.424 273 HB3 HIS 35 HB1 HIS 35 13.771 12.171 34.791 274 HD1 HIS 35 HD1 HIS 35 15.307 13.204 33.220 275 HD2 HIS 35 HD2 HIS 35 15.498 15.198 36.742 276 HE1 HIS 35 HE1 HIS 35 16.969 14.926 32.859 277 H ILE 36 HN ILE 36 13.486 15.974 35.338 278 HA ILE 36 HA ILE 36 11.356 16.373 33.386 279 HB ILE 36 HB ILE 36 13.679 18.066 34.367 280 HG12 ILE 36 HG12 ILE 36 10.719 18.627 34.523 281 HG13 ILE 36 HG11 ILE 36 11.506 17.553 35.672 282 HG21 ILE 36 HG21 ILE 36 12.226 19.867 33.024 283 HG22 ILE 36 HG22 ILE 36 11.702 18.467 32.099 284 HG23 ILE 36 HG23 ILE 36 13.405 18.895 32.150 285 HD11 ILE 36 HD11 ILE 36 13.180 19.375 36.155 286 HD12 ILE 36 HD12 ILE 36 11.533 19.776 36.632 287 HD13 ILE 36 HD13 ILE 36 12.211 20.451 35.154 288 H SER 37 HN SER 37 11.585 16.643 31.214 289 HA SER 37 HA SER 37 13.993 15.365 30.077 290 HB2 SER 37 HB2 SER 37 11.310 16.079 28.783 291 HB3 SER 37 HB1 SER 37 12.592 15.109 28.029 292 HG SER 37 HG SER 37 11.434 14.538 30.558 293 H GLY 38 HN GLY 38 14.691 16.242 27.901 294 HA2 GLY 38 HA2 GLY 38 15.351 19.067 28.262 295 HA3 GLY 38 HA1 GLY 38 15.923 18.031 26.962 296 H LYS 39 HN LYS 39 12.856 17.366 26.667 297 HA LYS 39 HA LYS 39 12.468 19.277 24.533 298 HB2 LYS 39 HB2 LYS 39 10.800 17.039 25.717 299 HB3 LYS 39 HB1 LYS 39 10.133 18.095 24.479 300 HG2 LYS 39 HG2 LYS 39 12.355 17.531 23.187 301 HG3 LYS 39 HG1 LYS 39 12.414 16.142 24.268 302 HD2 LYS 39 HD2 LYS 39 10.164 16.877 22.368 303 HD3 LYS 39 HD1 LYS 39 11.217 15.470 22.266 304 HE2 LYS 39 HE2 LYS 39 10.340 14.834 24.594 305 HE3 LYS 39 HE1 LYS 39 9.105 16.063 24.353 306 HZ1 LYS 39 HZ1 LYS 39 8.544 14.889 22.239 307 HZ2 LYS 39 HZ2 LYS 39 8.198 14.020 23.657 308 HZ3 LYS 39 HZ3 LYS 39 9.570 13.629 22.734 309 H LEU 40 HN LEU 40 10.413 18.539 27.336 310 HA LEU 40 HA LEU 40 8.848 20.880 27.029 311 HB2 LEU 40 HB2 LEU 40 7.832 20.193 29.030 312 HB3 LEU 40 HB1 LEU 40 8.685 18.703 28.662 313 HG LEU 40 HG LEU 40 10.653 19.971 29.990 314 HD11 LEU 40 HD11 LEU 40 8.623 21.794 30.292 315 HD12 LEU 40 HD12 LEU 40 9.943 21.606 31.441 316 HD13 LEU 40 HD13 LEU 40 8.403 20.805 31.733 317 HD21 LEU 40 HD21 LEU 40 10.072 17.863 30.784 318 HD22 LEU 40 HD22 LEU 40 8.363 18.265 30.898 319 HD23 LEU 40 HD23 LEU 40 9.493 18.875 32.103 320 H ARG 41 HN ARG 41 12.026 20.402 28.093 321 HA ARG 41 HA ARG 41 12.219 22.748 29.769 322 HB2 ARG 41 HB2 ARG 41 13.920 20.593 28.923 323 HB3 ARG 41 HB1 ARG 41 14.733 22.089 28.473 324 HG2 ARG 41 HG2 ARG 41 14.493 22.934 30.767 325 HG3 ARG 41 HG1 ARG 41 13.610 21.483 31.228 326 HD2 ARG 41 HD2 ARG 41 15.511 20.216 31.345 327 HD3 ARG 41 HD1 ARG 41 16.228 20.989 29.932 328 HE ARG 41 HE ARG 41 16.110 22.617 32.397 329 HH11 ARG 41 HH11 ARG 41 18.083 21.811 33.634 330 HH12 ARG 41 HH12 ARG 41 19.537 21.806 32.693 331 HH21 ARG 41 HH21 ARG 41 17.808 22.103 29.658 332 HH22 ARG 41 HH22 ARG 41 19.377 21.977 30.381 333 H MET 42 HN MET 42 12.898 21.997 26.386 334 HA MET 42 HA MET 42 13.939 24.537 25.678 335 HB2 MET 42 HB2 MET 42 13.728 22.267 24.309 336 HB3 MET 42 HB1 MET 42 12.180 22.931 23.798 337 HG2 MET 42 HG2 MET 42 14.867 24.292 23.525 338 HG3 MET 42 HG1 MET 42 14.013 23.495 22.232 339 HE1 MET 42 HE1 MET 42 12.486 24.268 20.822 340 HE2 MET 42 HE2 MET 42 11.582 25.782 20.843 341 HE3 MET 42 HE3 MET 42 11.137 24.473 21.939 342 H ASN 43 HN ASN 43 10.647 23.330 26.031 343 HA ASN 43 HA ASN 43 9.366 25.570 24.761 344 HB2 ASN 43 HB2 ASN 43 8.492 23.601 26.925 345 HB3 ASN 43 HB1 ASN 43 7.403 24.831 26.290 346 HD21 ASN 43 HD21 ASN 43 6.270 22.623 25.660 347 HD22 ASN 43 HD22 ASN 43 6.656 22.017 24.120 348 H PHE 44 HN PHE 44 11.031 25.237 27.722 349 HA PHE 44 HA PHE 44 11.547 26.784 29.393 350 HB2 PHE 44 HB2 PHE 44 11.426 28.309 27.208 351 HB3 PHE 44 HB1 PHE 44 9.946 28.916 27.941 352 HD1 PHE 44 HD1 PHE 44 13.525 28.200 28.811 353 HD2 PHE 44 HD2 PHE 44 10.110 30.646 29.538 354 HE1 PHE 44 HE1 PHE 44 14.855 29.619 30.312 355 HE2 PHE 44 HE2 PHE 44 11.449 32.058 31.035 356 HZ PHE 44 HZ PHE 44 13.818 31.547 31.423 357 H ILE 45 HN ILE 45 9.943 25.404 30.582 358 HA ILE 45 HA ILE 45 7.558 26.971 31.374 359 HB ILE 45 HB ILE 45 8.126 24.000 31.188 360 HG12 ILE 45 HG12 ILE 45 5.738 24.234 30.175 361 HG13 ILE 45 HG11 ILE 45 6.104 25.946 30.097 362 HG21 ILE 45 HG21 ILE 45 7.136 24.315 33.416 363 HG22 ILE 45 HG22 ILE 45 5.865 23.736 32.352 364 HG23 ILE 45 HG23 ILE 45 5.938 25.438 32.776 365 HD11 ILE 45 HD11 ILE 45 8.310 24.328 29.084 366 HD12 ILE 45 HD12 ILE 45 7.457 25.660 28.316 367 HD13 ILE 45 HD13 ILE 45 6.812 24.026 28.215 368 H ARG 46 HN ARG 46 6.835 26.587 33.598 369 HA ARG 46 HA ARG 46 8.950 25.854 35.506 370 HB2 ARG 46 HB2 ARG 46 8.940 28.421 34.944 371 HB3 ARG 46 HB1 ARG 46 7.417 28.470 35.821 372 HG2 ARG 46 HG2 ARG 46 8.482 27.622 37.837 373 HG3 ARG 46 HG1 ARG 46 9.991 27.344 36.972 374 HD2 ARG 46 HD2 ARG 46 10.115 29.808 36.499 375 HD3 ARG 46 HD1 ARG 46 8.683 30.035 37.499 376 HE ARG 46 HE ARG 46 10.176 28.867 39.326 377 HH11 ARG 46 HH11 ARG 46 12.650 28.712 39.246 378 HH12 ARG 46 HH12 ARG 46 13.425 30.244 39.014 379 HH21 ARG 46 HH21 ARG 46 10.471 31.806 37.959 380 HH22 ARG 46 HH22 ARG 46 12.159 32.041 38.266 381 H ILE 47 HN ILE 47 7.355 24.089 35.590 382 HA ILE 47 HA ILE 47 4.718 24.622 36.701 383 HB ILE 47 HB ILE 47 5.482 22.623 35.229 384 HG12 ILE 47 HG12 ILE 47 3.916 22.260 37.799 385 HG13 ILE 47 HG11 ILE 47 3.285 22.596 36.192 386 HG21 ILE 47 HG21 ILE 47 6.211 21.388 37.913 387 HG22 ILE 47 HG22 ILE 47 7.440 22.248 36.991 388 HG23 ILE 47 HG23 ILE 47 6.649 20.834 36.301 389 HD11 ILE 47 HD11 ILE 47 4.590 20.045 37.176 390 HD12 ILE 47 HD12 ILE 47 4.360 20.384 35.463 391 HD13 ILE 47 HD13 ILE 47 2.965 20.246 36.527 392 H LEU 48 HN LEU 48 3.955 24.117 38.733 393 HA LEU 48 HA LEU 48 6.043 23.823 40.864 394 HB2 LEU 48 HB2 LEU 48 3.344 25.241 41.097 395 HB3 LEU 48 HB1 LEU 48 4.657 25.276 42.268 396 HG LEU 48 HG LEU 48 5.108 26.233 39.441 397 HD11 LEU 48 HD11 LEU 48 4.479 28.485 40.118 398 HD12 LEU 48 HD12 LEU 48 4.135 27.939 41.756 399 HD13 LEU 48 HD13 LEU 48 3.111 27.419 40.421 400 HD21 LEU 48 HD21 LEU 48 6.377 26.648 42.155 401 HD22 LEU 48 HD22 LEU 48 6.719 27.724 40.804 402 HD23 LEU 48 HD23 LEU 48 7.122 26.014 40.690 403 H GLU 49 HN GLU 49 5.669 22.315 42.424 404 HA GLU 49 HA GLU 49 4.255 20.041 42.053 405 HB2 GLU 49 HB2 GLU 49 4.105 19.887 44.610 406 HB3 GLU 49 HB1 GLU 49 5.709 20.267 43.991 407 HG2 GLU 49 HG2 GLU 49 4.020 22.643 44.447 408 HG3 GLU 49 HG1 GLU 49 4.384 21.737 45.913 409 H GLY 50 HN GLY 50 2.249 19.187 42.544 410 HA2 GLY 50 HA2 GLY 50 -0.022 19.335 43.388 411 HA3 GLY 50 HA1 GLY 50 0.125 21.091 43.390 412 H ASP 51 HN ASP 51 1.521 20.250 40.607 413 HA ASP 51 HA ASP 51 -0.977 20.712 39.090 414 HB2 ASP 51 HB2 ASP 51 1.973 21.101 38.564 415 HB3 ASP 51 HB1 ASP 51 0.877 20.958 37.192 416 H LYS 52 HN LYS 52 -1.753 19.277 37.606 417 HA LYS 52 HA LYS 52 -0.810 16.589 37.762 418 HB2 LYS 52 HB2 LYS 52 -2.887 17.872 35.950 419 HB3 LYS 52 HB1 LYS 52 -2.650 16.136 36.114 420 HG2 LYS 52 HG2 LYS 52 -3.179 16.291 38.526 421 HG3 LYS 52 HG1 LYS 52 -3.413 18.029 38.363 422 HD2 LYS 52 HD2 LYS 52 -5.077 17.269 36.426 423 HD3 LYS 52 HD1 LYS 52 -5.125 15.783 37.368 424 HE2 LYS 52 HE2 LYS 52 -5.572 17.256 39.414 425 HE3 LYS 52 HE1 LYS 52 -5.836 18.579 38.284 426 HZ1 LYS 52 HZ1 LYS 52 -7.743 16.915 39.105 427 HZ2 LYS 52 HZ2 LYS 52 -7.256 16.133 37.678 428 HZ3 LYS 52 HZ3 LYS 52 -7.787 17.745 37.624 429 H VAL 53 HN VAL 53 0.160 15.340 36.283 430 HA VAL 53 HA VAL 53 0.953 16.640 33.738 431 HB VAL 53 HB VAL 53 3.321 16.240 34.221 432 HG11 VAL 53 HG21 VAL 53 3.676 17.861 35.990 433 HG12 VAL 53 HG22 VAL 53 2.056 17.580 36.608 434 HG13 VAL 53 HG23 VAL 53 2.281 18.358 35.045 435 HG21 VAL 53 HG11 VAL 53 4.016 15.417 36.465 436 HG22 VAL 53 HG12 VAL 53 3.100 14.214 35.564 437 HG23 VAL 53 HG13 VAL 53 2.320 15.136 36.846 438 H ASN 54 HN ASN 54 2.208 15.119 32.353 439 HA ASN 54 HA ASN 54 1.017 12.425 32.654 440 HB2 ASN 54 HB2 ASN 54 1.816 14.147 30.425 441 HB3 ASN 54 HB1 ASN 54 2.533 12.545 30.269 442 HD21 ASN 54 HD21 ASN 54 -0.645 14.033 31.091 443 HD22 ASN 54 HD22 ASN 54 -1.571 12.858 30.289 444 H VAL 55 HN VAL 55 2.202 10.776 33.347 445 HA VAL 55 HA VAL 55 5.112 11.212 33.676 446 HB VAL 55 HB VAL 55 3.446 8.992 34.904 447 HG11 VAL 55 HG11 VAL 55 5.901 8.840 35.108 448 HG12 VAL 55 HG12 VAL 55 5.172 9.163 36.678 449 HG13 VAL 55 HG13 VAL 55 5.951 10.465 35.784 450 HG21 VAL 55 HG21 VAL 55 3.862 11.798 35.985 451 HG22 VAL 55 HG22 VAL 55 3.053 10.480 36.825 452 HG23 VAL 55 HG23 VAL 55 2.339 11.163 35.369 453 H GLU 56 HN GLU 56 6.527 10.101 32.571 454 HA GLU 56 HA GLU 56 5.583 7.793 30.927 455 HB2 GLU 56 HB2 GLU 56 6.567 9.532 29.547 456 HB3 GLU 56 HB1 GLU 56 7.887 9.784 30.675 457 HG2 GLU 56 HG2 GLU 56 8.752 7.504 30.157 458 HG3 GLU 56 HG1 GLU 56 7.440 7.285 29.002 459 H LEU 57 HN LEU 57 5.985 5.923 31.946 460 HA LEU 57 HA LEU 57 8.282 5.709 33.785 461 HB2 LEU 57 HB2 LEU 57 6.295 3.539 32.955 462 HB3 LEU 57 HB1 LEU 57 7.311 3.547 34.393 463 HG LEU 57 HG LEU 57 5.239 5.690 33.850 464 HD11 LEU 57 HD11 LEU 57 4.913 3.295 35.681 465 HD12 LEU 57 HD12 LEU 57 4.276 3.323 34.039 466 HD13 LEU 57 HD13 LEU 57 3.689 4.478 35.232 467 HD21 LEU 57 HD21 LEU 57 6.698 6.500 35.490 468 HD22 LEU 57 HD22 LEU 57 7.025 4.895 36.134 469 HD23 LEU 57 HD23 LEU 57 5.489 5.686 36.477 470 H SER 58 HN SER 58 10.060 4.413 33.499 471 HA SER 58 HA SER 58 10.521 3.563 30.686 472 HB2 SER 58 HB2 SER 58 12.955 3.376 31.537 473 HB3 SER 58 HB1 SER 58 12.266 5.007 31.655 474 HG SER 58 HG SER 58 12.905 4.641 33.685 475 HA PRO 59 HA PRO 59 9.893 -0.693 31.808 476 HB2 PRO 59 HB2 PRO 59 11.597 -1.615 29.643 477 HB3 PRO 59 HB1 PRO 59 9.834 -1.607 29.692 478 HG2 PRO 59 HG2 PRO 59 11.583 0.153 28.177 479 HG3 PRO 59 HG1 PRO 59 9.818 0.118 28.176 480 HD2 PRO 59 HD1 PRO 59 11.518 2.108 29.368 481 HD3 PRO 59 HD2 PRO 59 9.749 2.013 29.442 482 H TYR 60 HN TYR 60 12.718 0.989 32.019 483 HA TYR 60 HA TYR 60 14.513 -1.194 32.520 484 HB2 TYR 60 HB2 TYR 60 14.994 1.322 31.706 485 HB3 TYR 60 HB1 TYR 60 15.051 1.627 33.439 486 HD1 TYR 60 HD1 TYR 60 16.458 -0.632 30.815 487 HD2 TYR 60 HD2 TYR 60 17.017 1.130 34.646 488 HE1 TYR 60 HE1 TYR 60 18.738 -1.528 30.895 489 HE2 TYR 60 HE2 TYR 60 19.297 0.233 34.726 490 HH TYR 60 HH TYR 60 21.054 -0.518 32.578 491 H ASP 61 HN ASP 61 12.269 0.728 34.151 492 HA ASP 61 HA ASP 61 12.277 -0.834 36.470 493 HB2 ASP 61 HB2 ASP 61 13.209 1.139 37.982 494 HB3 ASP 61 HB1 ASP 61 14.364 0.069 37.190 495 H LEU 62 HN LEU 62 10.130 -0.670 36.632 496 HA LEU 62 HA LEU 62 8.664 1.719 36.039 497 HB2 LEU 62 HB2 LEU 62 7.946 -0.821 37.567 498 HB3 LEU 62 HB1 LEU 62 6.774 0.451 37.240 499 HG LEU 62 HG LEU 62 8.346 -0.419 34.885 500 HD11 LEU 62 HD21 LEU 62 6.389 -2.260 36.296 501 HD12 LEU 62 HD22 LEU 62 8.068 -2.606 35.897 502 HD13 LEU 62 HD23 LEU 62 6.870 -2.459 34.614 503 HD21 LEU 62 HD11 LEU 62 6.063 -0.316 33.875 504 HD22 LEU 62 HD12 LEU 62 6.478 1.169 34.724 505 HD23 LEU 62 HD13 LEU 62 5.394 0.001 35.472 506 H THR 63 HN THR 63 10.814 1.736 38.111 507 HA THR 63 HA THR 63 9.283 2.681 40.466 508 HB THR 63 HB THR 63 12.313 2.327 40.080 509 HG1 THR 63 HG1 THR 63 11.300 0.372 39.952 510 HG21 THR 63 HG21 THR 63 12.247 2.229 42.605 511 HG22 THR 63 HG22 THR 63 10.518 2.559 42.563 512 HG23 THR 63 HG23 THR 63 11.662 3.791 42.040 513 H ARG 64 HN ARG 64 10.855 3.817 37.687 514 HA ARG 64 HA ARG 64 10.653 6.605 38.728 515 HB2 ARG 64 HB2 ARG 64 13.042 5.230 37.447 516 HB3 ARG 64 HB1 ARG 64 12.825 6.966 37.254 517 HG2 ARG 64 HG2 ARG 64 13.366 7.395 39.426 518 HG3 ARG 64 HG1 ARG 64 12.473 6.002 40.020 519 HD2 ARG 64 HD2 ARG 64 14.937 5.765 40.366 520 HD3 ARG 64 HD1 ARG 64 14.286 4.501 39.324 521 HE ARG 64 HE ARG 64 15.239 6.809 37.822 522 HH11 ARG 64 HH11 ARG 64 17.332 5.607 39.787 523 HH12 ARG 64 HH12 ARG 64 18.200 4.566 38.708 524 HH21 ARG 64 HH21 ARG 64 15.723 4.737 36.233 525 HH22 ARG 64 HH22 ARG 64 17.265 4.061 36.642 526 H GLY 65 HN GLY 65 10.132 8.136 37.220 527 HA2 GLY 65 HA2 GLY 65 9.735 7.264 34.399 528 HA3 GLY 65 HA1 GLY 65 8.368 7.949 35.275 529 H ARG 66 HN ARG 66 8.268 9.751 33.807 530 HA ARG 66 HA ARG 66 9.951 11.972 34.657 531 HB2 ARG 66 HB2 ARG 66 10.469 12.128 31.909 532 HB3 ARG 66 HB1 ARG 66 11.622 11.606 33.130 533 HG2 ARG 66 HG2 ARG 66 11.192 9.321 32.733 534 HG3 ARG 66 HG1 ARG 66 9.658 9.655 31.947 535 HD2 ARG 66 HD2 ARG 66 10.894 10.783 30.085 536 HD3 ARG 66 HD1 ARG 66 12.411 10.319 30.855 537 HE ARG 66 HE ARG 66 10.467 8.184 30.132 538 HH11 ARG 66 HH11 ARG 66 12.360 6.545 30.493 539 HH12 ARG 66 HH12 ARG 66 13.592 6.700 29.285 540 HH21 ARG 66 HH21 ARG 66 12.479 9.862 28.264 541 HH22 ARG 66 HH22 ARG 66 13.662 8.627 27.991 542 H ILE 67 HN ILE 67 9.129 13.947 34.130 543 HA ILE 67 HA ILE 67 6.418 13.946 32.890 544 HB ILE 67 HB ILE 67 7.998 16.231 34.169 545 HG12 ILE 67 HG12 ILE 67 7.775 14.592 35.882 546 HG13 ILE 67 HG11 ILE 67 6.473 15.735 36.161 547 HG21 ILE 67 HG21 ILE 67 5.192 15.803 33.163 548 HG22 ILE 67 HG22 ILE 67 6.189 17.253 33.089 549 HG23 ILE 67 HG23 ILE 67 5.391 16.812 34.593 550 HD11 ILE 67 HD11 ILE 67 5.349 13.683 36.294 551 HD12 ILE 67 HD12 ILE 67 6.331 12.948 35.034 552 HD13 ILE 67 HD13 ILE 67 5.090 14.123 34.613 553 H THR 68 HN THR 68 6.255 14.392 30.799 554 HA THR 68 HA THR 68 8.204 16.313 29.578 555 HB THR 68 HB THR 68 7.771 14.871 27.434 556 HG1 THR 68 HG1 THR 68 6.795 12.966 27.843 557 HG21 THR 68 HG21 THR 68 9.920 14.334 28.274 558 HG22 THR 68 HG22 THR 68 9.102 12.827 28.676 559 HG23 THR 68 HG23 THR 68 9.314 14.070 29.907 560 H TRP 69 HN TRP 69 5.155 16.053 30.543 561 HA TRP 69 HA TRP 69 4.278 18.104 28.684 562 HB2 TRP 69 HB2 TRP 69 2.223 16.282 28.235 563 HB3 TRP 69 HB1 TRP 69 3.558 16.558 27.118 564 HD1 TRP 69 HD1 TRP 69 3.938 14.766 30.513 565 HE1 TRP 69 HE1 TRP 69 4.785 12.433 29.987 566 HE3 TRP 69 HE3 TRP 69 3.517 14.979 25.615 567 HZ2 TRP 69 HZ2 TRP 69 5.183 10.758 27.522 568 HZ3 TRP 69 HZ3 TRP 69 4.087 13.100 24.137 569 HH2 TRP 69 HH2 TRP 69 4.919 10.991 25.089 570 H ARG 70 HN ARG 70 3.345 19.392 30.139 571 HA ARG 70 HA ARG 70 1.562 18.235 32.135 572 HB2 ARG 70 HB2 ARG 70 2.037 20.177 33.522 573 HB3 ARG 70 HB1 ARG 70 3.579 19.554 32.946 574 HG2 ARG 70 HG2 ARG 70 3.512 21.201 31.079 575 HG3 ARG 70 HG1 ARG 70 2.015 21.853 31.739 576 HD2 ARG 70 HD2 ARG 70 3.366 22.108 33.954 577 HD3 ARG 70 HD1 ARG 70 4.787 21.934 32.927 578 HE ARG 70 HE ARG 70 4.168 24.008 31.806 579 HH11 ARG 70 HH11 ARG 70 4.184 25.810 33.566 580 HH12 ARG 70 HH12 ARG 70 2.596 26.162 34.159 581 HH21 ARG 70 HH21 ARG 70 1.245 23.187 32.888 582 HH22 ARG 70 HH22 ARG 70 0.886 24.638 33.764 583 H LYS 71 HN LYS 71 -0.479 19.102 32.449 584 HA LYS 71 HA LYS 71 -1.962 19.894 30.256 585 HB2 LYS 71 HB2 LYS 71 -2.869 19.326 32.545 586 HB3 LYS 71 HB1 LYS 71 -2.360 20.914 33.111 587 HG2 LYS 71 HG2 LYS 71 -4.081 21.975 32.057 588 HG3 LYS 71 HG1 LYS 71 -3.957 20.954 30.627 589 HD2 LYS 71 HD2 LYS 71 -6.064 20.432 31.675 590 HD3 LYS 71 HD1 LYS 71 -4.984 19.080 31.999 591 HE2 LYS 71 HE2 LYS 71 -5.030 21.342 33.961 592 HE3 LYS 71 HE1 LYS 71 -6.387 20.223 33.961 593 HZ1 LYS 71 HZ1 LYS 71 -5.019 19.135 35.364 594 HZ2 LYS 71 HZ2 LYS 71 -3.600 19.763 34.674 595 HZ3 LYS 71 HZ3 LYS 71 -4.422 18.489 33.910 596 H LYS 72 HN LYS 72 -2.784 21.915 29.508 597 HA LYS 72 HA LYS 72 -0.815 23.922 29.128 598 HB2 LYS 72 HB2 LYS 72 -2.876 23.586 27.698 599 HB3 LYS 72 HB1 LYS 72 -3.858 24.239 29.004 600 HG2 LYS 72 HG2 LYS 72 -2.371 26.318 28.904 601 HG3 LYS 72 HG1 LYS 72 -1.723 25.671 27.400 602 HD2 LYS 72 HD2 LYS 72 -4.701 25.809 27.717 603 HD3 LYS 72 HD1 LYS 72 -3.830 27.302 27.388 604 HE2 LYS 72 HE2 LYS 72 -3.783 24.766 25.722 605 HE3 LYS 72 HE1 LYS 72 -4.477 26.316 25.262 606 HZ1 LYS 72 HZ1 LYS 72 -1.740 25.439 25.205 607 HZ2 LYS 72 HZ2 LYS 72 -1.947 26.977 25.893 608 HZ3 LYS 72 HZ3 LYS 72 -2.509 26.668 24.321 Start of MODEL 2 1 HA MET 1 HA MET 1 2.818 2.178 19.648 2 HB2 MET 1 HB2 MET 1 4.264 1.714 17.000 3 HB3 MET 1 HB1 MET 1 2.876 0.836 17.633 4 HG2 MET 1 HG2 MET 1 2.968 3.696 16.669 5 HG3 MET 1 HG1 MET 1 2.107 2.369 15.935 6 HE1 MET 1 HE1 MET 1 -0.974 1.809 17.971 7 HE2 MET 1 HE2 MET 1 0.545 0.949 18.218 8 HE3 MET 1 HE3 MET 1 0.035 1.385 16.588 9 H ALA 2 HN ALA 2 4.396 -0.015 18.357 10 HA ALA 2 HA ALA 2 6.005 -0.713 20.579 11 HB1 ALA 2 HB1 ALA 2 5.273 -2.407 18.962 12 HB2 ALA 2 HB2 ALA 2 7.033 -2.387 18.938 13 HB3 ALA 2 HB3 ALA 2 6.125 -1.596 17.653 14 H LYS 3 HN LYS 3 6.723 1.220 17.774 15 HA LYS 3 HA LYS 3 9.468 1.123 17.528 16 HB2 LYS 3 HB2 LYS 3 7.925 2.713 16.305 17 HB3 LYS 3 HB1 LYS 3 7.831 3.699 17.760 18 HG2 LYS 3 HG2 LYS 3 10.144 4.264 17.655 19 HG3 LYS 3 HG1 LYS 3 10.484 2.988 16.491 20 HD2 LYS 3 HD2 LYS 3 10.385 5.220 15.399 21 HD3 LYS 3 HD1 LYS 3 9.127 4.146 14.796 22 HE2 LYS 3 HE2 LYS 3 7.442 5.369 15.757 23 HE3 LYS 3 HE1 LYS 3 8.399 5.759 17.180 24 HZ1 LYS 3 HZ1 LYS 3 7.903 7.685 15.752 25 HZ2 LYS 3 HZ2 LYS 3 8.817 6.975 14.510 26 HZ3 LYS 3 HZ3 LYS 3 9.567 7.422 15.965 27 H LYS 4 HN LYS 4 7.655 2.570 20.176 28 HA LYS 4 HA LYS 4 10.143 2.572 21.769 29 HB2 LYS 4 HB2 LYS 4 9.476 4.897 20.496 30 HB3 LYS 4 HB1 LYS 4 8.510 5.094 21.950 31 HG2 LYS 4 HG2 LYS 4 10.529 4.685 23.336 32 HG3 LYS 4 HG1 LYS 4 11.488 4.503 21.871 33 HD2 LYS 4 HD2 LYS 4 10.321 6.890 21.346 34 HD3 LYS 4 HD1 LYS 4 10.358 6.968 23.105 35 HE2 LYS 4 HE2 LYS 4 12.609 6.968 21.162 36 HE3 LYS 4 HE1 LYS 4 12.480 7.765 22.725 37 HZ1 LYS 4 HZ1 LYS 4 13.690 5.300 22.085 38 HZ2 LYS 4 HZ2 LYS 4 12.460 5.048 23.227 39 HZ3 LYS 4 HZ3 LYS 4 13.709 6.151 23.554 40 H ASP 5 HN ASP 5 8.132 0.845 22.118 41 HA ASP 5 HA ASP 5 5.902 1.334 23.615 42 HB2 ASP 5 HB2 ASP 5 6.857 -0.799 25.005 43 HB3 ASP 5 HB1 ASP 5 6.271 -0.956 23.351 44 H VAL 6 HN VAL 6 5.370 1.903 25.625 45 HA VAL 6 HA VAL 6 7.156 1.966 27.880 46 HB VAL 6 HB VAL 6 7.906 3.950 26.293 47 HG11 VAL 6 HG11 VAL 6 6.579 5.952 26.416 48 HG12 VAL 6 HG12 VAL 6 5.513 5.246 27.627 49 HG13 VAL 6 HG13 VAL 6 5.475 4.656 25.969 50 HG21 VAL 6 HG21 VAL 6 8.408 5.350 28.241 51 HG22 VAL 6 HG22 VAL 6 8.591 3.656 28.684 52 HG23 VAL 6 HG23 VAL 6 7.152 4.544 29.174 53 H ILE 7 HN ILE 7 6.118 3.108 29.777 54 HA ILE 7 HA ILE 7 3.157 2.788 29.487 55 HB ILE 7 HB ILE 7 4.791 3.171 32.026 56 HG12 ILE 7 HG12 ILE 7 3.794 0.517 31.011 57 HG13 ILE 7 HG11 ILE 7 5.360 1.133 30.496 58 HG21 ILE 7 HG21 ILE 7 2.693 1.807 32.860 59 HG22 ILE 7 HG22 ILE 7 1.963 2.293 31.333 60 HG23 ILE 7 HG23 ILE 7 2.465 3.515 32.496 61 HD11 ILE 7 HD11 ILE 7 6.281 0.946 32.609 62 HD12 ILE 7 HD12 ILE 7 5.093 -0.349 32.717 63 HD13 ILE 7 HD13 ILE 7 4.743 1.229 33.419 64 H GLU 8 HN GLU 8 2.345 4.659 28.749 65 HA GLU 8 HA GLU 8 3.236 7.202 29.987 66 HB2 GLU 8 HB2 GLU 8 1.247 6.632 27.728 67 HB3 GLU 8 HB1 GLU 8 1.810 8.230 28.204 68 HG2 GLU 8 HG2 GLU 8 4.193 7.311 27.775 69 HG3 GLU 8 HG1 GLU 8 3.390 5.995 26.923 70 H LEU 9 HN LEU 9 2.279 7.600 31.885 71 HA LEU 9 HA LEU 9 -0.709 7.370 31.975 72 HB2 LEU 9 HB2 LEU 9 1.375 6.221 33.806 73 HB3 LEU 9 HB1 LEU 9 -0.061 6.893 34.571 74 HG LEU 9 HG LEU 9 -0.108 4.852 32.319 75 HD11 LEU 9 HD11 LEU 9 0.791 3.883 34.403 76 HD12 LEU 9 HD12 LEU 9 -0.834 3.277 34.100 77 HD13 LEU 9 HD13 LEU 9 -0.575 4.534 35.305 78 HD21 LEU 9 HD21 LEU 9 -2.112 6.550 33.618 79 HD22 LEU 9 HD22 LEU 9 -2.523 4.840 33.718 80 HD23 LEU 9 HD23 LEU 9 -2.250 5.590 32.148 81 H GLU 10 HN GLU 10 -1.766 8.880 33.224 82 HA GLU 10 HA GLU 10 -0.230 11.345 33.626 83 HB2 GLU 10 HB2 GLU 10 -3.189 10.832 34.159 84 HB3 GLU 10 HB1 GLU 10 -2.420 12.396 33.917 85 HG2 GLU 10 HG2 GLU 10 -2.144 12.053 31.615 86 HG3 GLU 10 HG1 GLU 10 -2.199 10.299 31.768 87 H GLY 11 HN GLY 11 0.078 12.397 35.553 88 HA2 GLY 11 HA2 GLY 11 -0.987 11.134 38.004 89 HA3 GLY 11 HA1 GLY 11 0.768 11.137 37.828 90 H THR 12 HN THR 12 0.081 12.431 39.941 91 HA THR 12 HA THR 12 0.083 15.313 39.149 92 HB THR 12 HB THR 12 -1.153 14.034 41.665 93 HG1 THR 12 HG1 THR 12 -2.683 15.479 39.938 94 HG21 THR 12 HG21 THR 12 -0.241 16.544 41.681 95 HG22 THR 12 HG22 THR 12 -1.897 16.265 42.207 96 HG23 THR 12 HG23 THR 12 -1.576 16.857 40.578 97 H VAL 13 HN VAL 13 1.731 16.474 39.847 98 HA VAL 13 HA VAL 13 3.953 15.220 41.126 99 HB VAL 13 HB VAL 13 3.457 18.187 41.414 100 HG11 VAL 13 HG21 VAL 13 5.864 18.256 40.833 101 HG12 VAL 13 HG22 VAL 13 5.856 16.513 40.586 102 HG13 VAL 13 HG23 VAL 13 5.585 17.175 42.195 103 HG21 VAL 13 HG11 VAL 13 3.698 16.598 38.883 104 HG22 VAL 13 HG12 VAL 13 4.439 18.192 38.966 105 HG23 VAL 13 HG13 VAL 13 2.706 18.014 39.215 106 H SER 14 HN SER 14 4.140 14.540 43.118 107 HA SER 14 HA SER 14 2.311 15.587 45.168 108 HB2 SER 14 HB2 SER 14 2.973 13.071 44.826 109 HB3 SER 14 HB1 SER 14 4.499 13.507 45.620 110 HG SER 14 HG SER 14 2.507 14.677 46.926 111 H GLU 15 HN GLU 15 5.741 15.672 44.362 112 HA GLU 15 HA GLU 15 6.035 17.848 46.347 113 HB2 GLU 15 HB2 GLU 15 6.563 15.611 47.489 114 HB3 GLU 15 HB1 GLU 15 7.914 15.443 46.373 115 HG2 GLU 15 HG2 GLU 15 8.640 16.457 48.522 116 HG3 GLU 15 HG1 GLU 15 8.857 17.581 47.182 117 H ALA 16 HN ALA 16 7.961 19.076 46.104 118 HA ALA 16 HA ALA 16 9.124 18.844 43.365 119 HB1 ALA 16 HB1 ALA 16 7.982 20.975 43.714 120 HB2 ALA 16 HB2 ALA 16 9.709 21.309 43.780 121 HB3 ALA 16 HB3 ALA 16 8.775 21.204 45.269 122 H LEU 17 HN LEU 17 10.982 17.767 43.474 123 HA LEU 17 HA LEU 17 12.784 18.261 45.768 124 HB2 LEU 17 HB2 LEU 17 13.065 16.239 43.515 125 HB3 LEU 17 HB1 LEU 17 13.918 16.222 45.054 126 HG LEU 17 HG LEU 17 10.899 16.100 44.874 127 HD11 LEU 17 HD21 LEU 17 11.129 13.666 45.175 128 HD12 LEU 17 HD22 LEU 17 12.880 13.814 45.094 129 HD13 LEU 17 HD23 LEU 17 11.900 14.170 43.675 130 HD21 LEU 17 HD11 LEU 17 11.279 15.049 47.157 131 HD22 LEU 17 HD12 LEU 17 11.688 16.757 47.042 132 HD23 LEU 17 HD13 LEU 17 12.962 15.543 47.012 133 HA PRO 18 HA PRO 18 15.428 20.872 43.409 134 HB2 PRO 18 HB2 PRO 18 17.855 19.884 44.641 135 HB3 PRO 18 HB1 PRO 18 16.982 21.364 45.042 136 HG2 PRO 18 HG2 PRO 18 17.101 18.879 46.567 137 HG3 PRO 18 HG1 PRO 18 16.326 20.398 47.022 138 HD2 PRO 18 HD1 PRO 18 15.027 17.973 46.220 139 HD3 PRO 18 HD2 PRO 18 14.272 19.545 46.544 140 H ASN 19 HN ASN 19 17.344 20.746 41.974 141 HA ASN 19 HA ASN 19 18.687 19.682 40.378 142 HB2 ASN 19 HB2 ASN 19 18.645 17.842 42.414 143 HB3 ASN 19 HB1 ASN 19 17.837 16.921 41.152 144 HD21 ASN 19 HD21 ASN 19 19.453 18.600 39.100 145 HD22 ASN 19 HD22 ASN 19 20.979 17.858 39.092 146 H ALA 20 HN ALA 20 15.818 20.296 40.064 147 HA ALA 20 HA ALA 20 14.142 19.987 38.454 148 HB1 ALA 20 HB1 ALA 20 14.956 19.487 36.271 149 HB2 ALA 20 HB2 ALA 20 16.150 18.342 36.875 150 HB3 ALA 20 HB3 ALA 20 16.403 20.073 37.082 151 H MET 21 HN MET 21 13.649 18.300 40.382 152 HA MET 21 HA MET 21 12.684 15.918 39.004 153 HB2 MET 21 HB2 MET 21 14.886 15.970 41.029 154 HB3 MET 21 HB1 MET 21 13.641 14.760 41.313 155 HG2 MET 21 HG2 MET 21 13.899 14.045 38.929 156 HG3 MET 21 HG1 MET 21 15.236 15.150 38.780 157 HE1 MET 21 HE1 MET 21 17.644 14.185 41.231 158 HE2 MET 21 HE2 MET 21 17.069 15.261 39.961 159 HE3 MET 21 HE3 MET 21 18.104 13.896 39.553 160 H PHE 22 HN PHE 22 11.115 14.786 40.314 161 HA PHE 22 HA PHE 22 10.238 16.001 42.802 162 HB2 PHE 22 HB2 PHE 22 7.826 16.255 41.565 163 HB3 PHE 22 HB1 PHE 22 8.971 17.574 41.656 164 HD1 PHE 22 HD1 PHE 22 9.595 14.663 39.460 165 HD2 PHE 22 HD2 PHE 22 8.143 18.657 39.650 166 HE1 PHE 22 HE1 PHE 22 9.650 14.808 37.013 167 HE2 PHE 22 HE2 PHE 22 8.163 18.775 37.205 168 HZ PHE 22 HZ PHE 22 8.904 16.849 35.891 169 H LYS 23 HN LYS 23 8.249 14.983 43.646 170 HA LYS 23 HA LYS 23 8.225 12.102 42.880 171 HB2 LYS 23 HB2 LYS 23 8.766 12.834 45.286 172 HB3 LYS 23 HB1 LYS 23 7.113 13.424 45.405 173 HG2 LYS 23 HG2 LYS 23 6.202 11.234 45.141 174 HG3 LYS 23 HG1 LYS 23 7.736 10.583 44.572 175 HD2 LYS 23 HD2 LYS 23 7.200 10.010 46.981 176 HD3 LYS 23 HD1 LYS 23 8.737 10.839 46.765 177 HE2 LYS 23 HE2 LYS 23 7.888 12.886 47.584 178 HE3 LYS 23 HE1 LYS 23 6.219 12.408 47.308 179 HZ1 LYS 23 HZ1 LYS 23 6.164 11.810 49.419 180 HZ2 LYS 23 HZ2 LYS 23 7.839 12.024 49.603 181 HZ3 LYS 23 HZ3 LYS 23 7.229 10.541 49.046 182 H VAL 24 HN VAL 24 6.596 11.550 41.586 183 HA VAL 24 HA VAL 24 4.087 13.137 41.717 184 HB VAL 24 HB VAL 24 4.986 11.034 39.704 185 HG11 VAL 24 HG11 VAL 24 3.136 11.920 38.340 186 HG12 VAL 24 HG12 VAL 24 2.730 13.070 39.608 187 HG13 VAL 24 HG13 VAL 24 2.518 11.343 39.882 188 HG21 VAL 24 HG21 VAL 24 5.132 14.054 39.718 189 HG22 VAL 24 HG22 VAL 24 5.245 13.110 38.239 190 HG23 VAL 24 HG23 VAL 24 6.454 12.915 39.502 191 H LYS 25 HN LYS 25 2.131 12.243 41.996 192 HA LYS 25 HA LYS 25 2.102 9.407 42.970 193 HB2 LYS 25 HB2 LYS 25 1.792 10.681 44.958 194 HB3 LYS 25 HB1 LYS 25 0.874 11.929 44.125 195 HG2 LYS 25 HG2 LYS 25 -1.060 10.554 43.968 196 HG3 LYS 25 HG1 LYS 25 -0.150 9.095 44.346 197 HD2 LYS 25 HD2 LYS 25 0.224 9.865 46.633 198 HD3 LYS 25 HD1 LYS 25 -0.533 11.412 46.271 199 HE2 LYS 25 HE2 LYS 25 -2.390 9.431 45.470 200 HE3 LYS 25 HE1 LYS 25 -1.788 8.918 47.041 201 HZ1 LYS 25 HZ1 LYS 25 -2.542 11.724 46.662 202 HZ2 LYS 25 HZ2 LYS 25 -2.603 10.766 48.063 203 HZ3 LYS 25 HZ3 LYS 25 -3.770 10.565 46.846 204 H LEU 26 HN LEU 26 0.983 8.247 41.592 205 HA LEU 26 HA LEU 26 -0.841 9.371 39.713 206 HB2 LEU 26 HB2 LEU 26 -0.675 6.463 40.549 207 HB3 LEU 26 HB1 LEU 26 -1.145 7.104 38.975 208 HG LEU 26 HG LEU 26 1.571 7.187 40.258 209 HD11 LEU 26 HD21 LEU 26 2.154 6.173 37.985 210 HD12 LEU 26 HD22 LEU 26 0.421 6.000 37.725 211 HD13 LEU 26 HD23 LEU 26 1.204 5.142 39.048 212 HD21 LEU 26 HD11 LEU 26 0.399 8.779 38.007 213 HD22 LEU 26 HD12 LEU 26 2.120 8.418 38.049 214 HD23 LEU 26 HD13 LEU 26 1.383 9.338 39.355 215 H GLU 27 HN GLU 27 -3.051 9.229 39.599 216 HA GLU 27 HA GLU 27 -4.545 9.641 41.917 217 HB2 GLU 27 HB2 GLU 27 -6.487 8.661 40.392 218 HB3 GLU 27 HB1 GLU 27 -5.667 10.132 39.875 219 HG2 GLU 27 HG2 GLU 27 -5.918 8.292 38.095 220 HG3 GLU 27 HG1 GLU 27 -4.291 8.929 38.323 221 H ASN 28 HN ASN 28 -3.092 6.789 40.875 222 HA ASN 28 HA ASN 28 -5.012 4.938 42.058 223 HB2 ASN 28 HB2 ASN 28 -3.196 4.535 40.168 224 HB3 ASN 28 HB1 ASN 28 -2.088 4.303 41.517 225 HD21 ASN 28 HD21 ASN 28 -2.013 2.003 40.603 226 HD22 ASN 28 HD22 ASN 28 -3.210 0.911 41.111 227 H GLY 29 HN GLY 29 -2.450 6.898 43.207 228 HA2 GLY 29 HA2 GLY 29 -2.230 7.257 45.619 229 HA3 GLY 29 HA1 GLY 29 -2.673 5.580 45.872 230 H HIS 30 HN HIS 30 -0.568 5.480 43.321 231 HA HIS 30 HA HIS 30 1.653 4.772 45.180 232 HB2 HIS 30 HB2 HIS 30 1.442 4.405 42.160 233 HB3 HIS 30 HB1 HIS 30 2.615 3.636 43.233 234 HD1 HIS 30 HD1 HIS 30 -0.846 3.427 42.243 235 HD2 HIS 30 HD2 HIS 30 1.549 1.680 44.993 236 HE1 HIS 30 HE1 HIS 30 -2.152 1.603 43.112 237 H GLU 31 HN GLU 31 3.552 5.782 45.289 238 HA GLU 31 HA GLU 31 3.773 8.354 43.905 239 HB2 GLU 31 HB2 GLU 31 5.402 7.030 46.114 240 HB3 GLU 31 HB1 GLU 31 5.761 8.631 45.472 241 HG2 GLU 31 HG2 GLU 31 3.520 9.417 46.133 242 HG3 GLU 31 HG1 GLU 31 3.118 7.808 46.731 243 H ILE 32 HN ILE 32 5.375 8.879 42.447 244 HA ILE 32 HA ILE 32 7.359 6.766 41.797 245 HB ILE 32 HB ILE 32 5.831 8.283 39.722 246 HG12 ILE 32 HG12 ILE 32 4.399 6.713 41.157 247 HG13 ILE 32 HG11 ILE 32 4.357 6.457 39.419 248 HG21 ILE 32 HG21 ILE 32 7.705 5.898 39.722 249 HG22 ILE 32 HG22 ILE 32 7.921 7.425 38.874 250 HG23 ILE 32 HG23 ILE 32 6.696 6.283 38.332 251 HD11 ILE 32 HD11 ILE 32 4.668 4.339 40.768 252 HD12 ILE 32 HD12 ILE 32 6.232 4.963 41.277 253 HD13 ILE 32 HD13 ILE 32 5.930 4.623 39.577 254 H LEU 33 HN LEU 33 9.304 7.475 41.036 255 HA LEU 33 HA LEU 33 9.816 10.320 41.481 256 HB2 LEU 33 HB2 LEU 33 11.588 7.931 40.782 257 HB3 LEU 33 HB1 LEU 33 12.221 9.563 40.959 258 HG LEU 33 HG LEU 33 11.469 9.663 43.274 259 HD11 LEU 33 HD21 LEU 33 9.413 8.488 43.296 260 HD12 LEU 33 HD22 LEU 33 10.489 7.436 44.210 261 HD13 LEU 33 HD23 LEU 33 10.116 7.066 42.531 262 HD21 LEU 33 HD11 LEU 33 13.634 8.491 42.751 263 HD22 LEU 33 HD12 LEU 33 12.762 6.962 42.760 264 HD23 LEU 33 HD13 LEU 33 12.879 7.917 44.235 265 H CYS 34 HN CYS 34 10.141 11.803 39.885 266 HA CYS 34 HA CYS 34 10.496 10.752 37.121 267 HB2 CYS 34 HB2 CYS 34 8.597 13.020 37.615 268 HB3 CYS 34 HB1 CYS 34 8.661 11.927 36.262 269 HG CYS 34 HG1 CYS 34 7.722 10.239 38.419 270 H HIS 35 HN HIS 35 11.433 12.146 35.662 271 HA HIS 35 HA HIS 35 12.755 14.521 36.947 272 HB2 HIS 35 HB2 HIS 35 13.709 12.763 34.626 273 HB3 HIS 35 HB1 HIS 35 14.611 14.103 35.331 274 HD1 HIS 35 HD1 HIS 35 13.013 11.042 36.709 275 HD2 HIS 35 HD2 HIS 35 16.404 13.215 37.176 276 HE1 HIS 35 HE1 HIS 35 14.273 9.856 38.403 277 H ILE 36 HN ILE 36 13.273 16.290 35.477 278 HA ILE 36 HA ILE 36 11.016 16.736 33.651 279 HB ILE 36 HB ILE 36 13.127 18.483 34.935 280 HG12 ILE 36 HG12 ILE 36 10.129 18.834 34.839 281 HG13 ILE 36 HG11 ILE 36 10.892 17.740 35.985 282 HG21 ILE 36 HG21 ILE 36 13.044 19.593 32.857 283 HG22 ILE 36 HG22 ILE 36 11.618 20.302 33.609 284 HG23 ILE 36 HG23 ILE 36 11.443 18.969 32.473 285 HD11 ILE 36 HD11 ILE 36 12.422 19.739 36.597 286 HD12 ILE 36 HD12 ILE 36 10.758 19.785 37.175 287 HD13 ILE 36 HD13 ILE 36 11.228 20.731 35.765 288 H SER 37 HN SER 37 11.209 17.270 31.521 289 HA SER 37 HA SER 37 13.688 16.332 30.252 290 HB2 SER 37 HB2 SER 37 10.836 16.808 29.361 291 HB3 SER 37 HB1 SER 37 12.116 16.795 28.133 292 HG SER 37 HG SER 37 12.780 14.856 29.632 293 H GLY 38 HN GLY 38 14.023 17.618 28.026 294 HA2 GLY 38 HA2 GLY 38 14.880 20.279 28.881 295 HA3 GLY 38 HA1 GLY 38 15.178 19.559 27.304 296 H LYS 39 HN LYS 39 12.027 19.047 27.594 297 HA LYS 39 HA LYS 39 11.363 21.292 25.901 298 HB2 LYS 39 HB2 LYS 39 9.396 19.391 27.233 299 HB3 LYS 39 HB1 LYS 39 9.197 20.238 25.703 300 HG2 LYS 39 HG2 LYS 39 11.264 18.082 26.253 301 HG3 LYS 39 HG1 LYS 39 9.774 17.851 25.346 302 HD2 LYS 39 HD2 LYS 39 10.667 19.894 23.930 303 HD3 LYS 39 HD1 LYS 39 12.227 19.415 24.589 304 HE2 LYS 39 HE2 LYS 39 11.396 16.990 23.845 305 HE3 LYS 39 HE1 LYS 39 10.419 17.926 22.721 306 HZ1 LYS 39 HZ1 LYS 39 13.211 17.387 22.667 307 HZ2 LYS 39 HZ2 LYS 39 12.906 19.055 22.591 308 HZ3 LYS 39 HZ3 LYS 39 12.208 18.012 21.448 309 H LEU 40 HN LEU 40 9.959 20.213 28.977 310 HA LEU 40 HA LEU 40 8.530 22.586 29.483 311 HB2 LEU 40 HB2 LEU 40 9.957 21.006 31.670 312 HB3 LEU 40 HB1 LEU 40 8.377 21.779 31.750 313 HG LEU 40 HG LEU 40 8.156 20.008 29.603 314 HD11 LEU 40 HD11 LEU 40 9.373 18.494 31.914 315 HD12 LEU 40 HD12 LEU 40 10.358 19.053 30.566 316 HD13 LEU 40 HD13 LEU 40 9.044 17.916 30.284 317 HD21 LEU 40 HD21 LEU 40 7.390 19.397 32.474 318 HD22 LEU 40 HD22 LEU 40 6.542 18.907 31.010 319 HD23 LEU 40 HD23 LEU 40 6.541 20.597 31.505 320 H ARG 41 HN ARG 41 11.856 21.923 29.516 321 HA ARG 41 HA ARG 41 12.619 24.085 31.294 322 HB2 ARG 41 HB2 ARG 41 14.008 22.225 29.378 323 HB3 ARG 41 HB1 ARG 41 14.859 23.693 29.832 324 HG2 ARG 41 HG2 ARG 41 14.548 23.114 32.226 325 HG3 ARG 41 HG1 ARG 41 13.726 21.631 31.753 326 HD2 ARG 41 HD2 ARG 41 15.748 20.617 31.632 327 HD3 ARG 41 HD1 ARG 41 16.154 21.681 30.286 328 HE ARG 41 HE ARG 41 16.564 22.761 33.014 329 HH11 ARG 41 HH11 ARG 41 17.604 23.040 29.949 330 HH12 ARG 41 HH12 ARG 41 19.295 22.829 30.252 331 HH21 ARG 41 HH21 ARG 41 18.777 21.751 33.546 332 HH22 ARG 41 HH22 ARG 41 19.978 22.080 32.342 333 H MET 42 HN MET 42 12.269 23.637 27.825 334 HA MET 42 HA MET 42 13.277 26.223 27.106 335 HB2 MET 42 HB2 MET 42 11.756 24.002 25.790 336 HB3 MET 42 HB1 MET 42 11.582 25.590 25.052 337 HG2 MET 42 HG2 MET 42 14.149 24.096 25.602 338 HG3 MET 42 HG1 MET 42 13.456 24.433 24.038 339 HE1 MET 42 HE1 MET 42 15.182 25.351 22.786 340 HE2 MET 42 HE2 MET 42 16.333 24.891 24.042 341 HE3 MET 42 HE3 MET 42 16.405 26.502 23.327 342 H ASN 43 HN ASN 43 10.158 25.030 28.167 343 HA ASN 43 HA ASN 43 8.734 27.433 27.309 344 HB2 ASN 43 HB2 ASN 43 8.103 25.017 29.038 345 HB3 ASN 43 HB1 ASN 43 7.005 26.395 29.038 346 HD21 ASN 43 HD21 ASN 43 5.365 26.154 27.537 347 HD22 ASN 43 HD22 ASN 43 5.504 25.353 26.047 348 H PHE 44 HN PHE 44 10.736 26.605 29.942 349 HA PHE 44 HA PHE 44 11.189 27.673 31.985 350 HB2 PHE 44 HB2 PHE 44 11.849 29.390 30.183 351 HB3 PHE 44 HB1 PHE 44 10.277 30.147 30.430 352 HD1 PHE 44 HD1 PHE 44 10.327 32.007 31.849 353 HD2 PHE 44 HD2 PHE 44 13.012 28.787 32.630 354 HE1 PHE 44 HE1 PHE 44 11.216 33.212 33.797 355 HE2 PHE 44 HE2 PHE 44 13.892 30.001 34.575 356 HZ PHE 44 HZ PHE 44 12.995 32.211 35.160 357 H ILE 45 HN ILE 45 9.343 26.670 33.003 358 HA ILE 45 HA ILE 45 7.413 28.700 33.914 359 HB ILE 45 HB ILE 45 6.770 26.032 32.611 360 HG12 ILE 45 HG12 ILE 45 5.604 28.813 32.267 361 HG13 ILE 45 HG11 ILE 45 6.822 28.094 31.219 362 HG21 ILE 45 HG21 ILE 45 5.153 27.693 34.593 363 HG22 ILE 45 HG22 ILE 45 5.461 25.960 34.633 364 HG23 ILE 45 HG23 ILE 45 4.358 26.630 33.436 365 HD11 ILE 45 HD11 ILE 45 4.965 26.102 31.235 366 HD12 ILE 45 HD12 ILE 45 4.990 27.385 30.030 367 HD13 ILE 45 HD13 ILE 45 3.917 27.505 31.422 368 H ARG 46 HN ARG 46 7.701 28.716 36.047 369 HA ARG 46 HA ARG 46 8.855 26.598 37.548 370 HB2 ARG 46 HB2 ARG 46 8.708 28.979 38.337 371 HB3 ARG 46 HB1 ARG 46 6.964 28.809 38.497 372 HG2 ARG 46 HG2 ARG 46 7.138 27.353 40.322 373 HG3 ARG 46 HG1 ARG 46 8.762 26.839 39.884 374 HD2 ARG 46 HD2 ARG 46 8.765 28.345 41.875 375 HD3 ARG 46 HD1 ARG 46 9.655 29.043 40.524 376 HE ARG 46 HE ARG 46 6.910 29.899 40.434 377 HH11 ARG 46 HH11 ARG 46 6.648 32.104 40.782 378 HH12 ARG 46 HH12 ARG 46 7.726 32.938 41.851 379 HH21 ARG 46 HH21 ARG 46 9.709 30.098 42.390 380 HH22 ARG 46 HH22 ARG 46 9.502 31.771 42.789 381 H ILE 47 HN ILE 47 8.043 24.742 38.235 382 HA ILE 47 HA ILE 47 5.124 24.286 37.946 383 HB ILE 47 HB ILE 47 7.287 22.281 38.719 384 HG12 ILE 47 HG12 ILE 47 7.682 23.593 36.510 385 HG13 ILE 47 HG11 ILE 47 7.710 21.835 36.435 386 HG21 ILE 47 HG21 ILE 47 4.485 22.125 37.503 387 HG22 ILE 47 HG22 ILE 47 5.014 21.452 39.041 388 HG23 ILE 47 HG23 ILE 47 5.582 20.748 37.530 389 HD11 ILE 47 HD11 ILE 47 6.318 22.965 34.628 390 HD12 ILE 47 HD12 ILE 47 5.208 23.462 35.901 391 HD13 ILE 47 HD13 ILE 47 5.462 21.750 35.575 392 H LEU 48 HN LEU 48 3.841 23.530 39.634 393 HA LEU 48 HA LEU 48 5.042 23.776 42.371 394 HB2 LEU 48 HB2 LEU 48 3.410 25.650 41.483 395 HB3 LEU 48 HB1 LEU 48 2.151 24.447 41.734 396 HG LEU 48 HG LEU 48 2.857 24.203 44.096 397 HD11 LEU 48 HD11 LEU 48 5.077 24.733 44.379 398 HD12 LEU 48 HD12 LEU 48 4.432 26.341 44.697 399 HD13 LEU 48 HD13 LEU 48 5.052 25.942 43.098 400 HD21 LEU 48 HD21 LEU 48 1.159 25.931 43.380 401 HD22 LEU 48 HD22 LEU 48 2.459 27.118 43.356 402 HD23 LEU 48 HD23 LEU 48 2.004 26.341 44.869 403 H GLU 49 HN GLU 49 4.610 22.182 43.752 404 HA GLU 49 HA GLU 49 3.744 19.695 42.992 405 HB2 GLU 49 HB2 GLU 49 3.190 19.390 45.498 406 HB3 GLU 49 HB1 GLU 49 4.815 19.967 45.144 407 HG2 GLU 49 HG2 GLU 49 4.430 21.892 46.270 408 HG3 GLU 49 HG1 GLU 49 2.988 22.211 45.311 409 H GLY 50 HN GLY 50 1.818 18.518 43.256 410 HA2 GLY 50 HA2 GLY 50 -0.545 18.311 43.627 411 HA3 GLY 50 HA1 GLY 50 -0.642 20.062 43.813 412 H ASP 51 HN ASP 51 1.176 20.107 41.310 413 HA ASP 51 HA ASP 51 -0.989 20.528 39.445 414 HB2 ASP 51 HB2 ASP 51 1.246 21.757 39.428 415 HB3 ASP 51 HB1 ASP 51 2.000 20.270 38.860 416 H LYS 52 HN LYS 52 -1.111 19.442 37.330 417 HA LYS 52 HA LYS 52 -0.625 16.578 37.617 418 HB2 LYS 52 HB2 LYS 52 -2.596 18.149 35.931 419 HB3 LYS 52 HB1 LYS 52 -2.384 16.409 35.769 420 HG2 LYS 52 HG2 LYS 52 -4.087 16.398 37.328 421 HG3 LYS 52 HG1 LYS 52 -2.726 16.526 38.436 422 HD2 LYS 52 HD2 LYS 52 -4.164 18.272 39.132 423 HD3 LYS 52 HD1 LYS 52 -2.983 19.097 38.119 424 HE2 LYS 52 HE2 LYS 52 -4.880 18.268 36.280 425 HE3 LYS 52 HE1 LYS 52 -5.863 18.687 37.678 426 HZ1 LYS 52 HZ1 LYS 52 -4.631 20.827 37.751 427 HZ2 LYS 52 HZ2 LYS 52 -5.602 20.621 36.372 428 HZ3 LYS 52 HZ3 LYS 52 -3.919 20.417 36.264 429 H VAL 53 HN VAL 53 0.397 15.389 36.190 430 HA VAL 53 HA VAL 53 1.338 16.716 33.698 431 HB VAL 53 HB VAL 53 3.654 16.256 34.261 432 HG11 VAL 53 HG21 VAL 53 3.979 17.680 36.203 433 HG12 VAL 53 HG22 VAL 53 2.327 17.377 36.729 434 HG13 VAL 53 HG23 VAL 53 2.632 18.305 35.264 435 HG21 VAL 53 HG11 VAL 53 3.373 14.112 35.390 436 HG22 VAL 53 HG12 VAL 53 2.521 14.899 36.713 437 HG23 VAL 53 HG13 VAL 53 4.234 15.207 36.463 438 H ASN 54 HN ASN 54 2.421 15.182 32.240 439 HA ASN 54 HA ASN 54 1.166 12.513 32.531 440 HB2 ASN 54 HB2 ASN 54 1.991 14.246 30.306 441 HB3 ASN 54 HB1 ASN 54 2.579 12.599 30.105 442 HD21 ASN 54 HD21 ASN 54 0.021 14.488 29.277 443 HD22 ASN 54 HD22 ASN 54 -1.210 13.319 29.227 444 H VAL 55 HN VAL 55 2.289 10.865 33.256 445 HA VAL 55 HA VAL 55 5.225 11.163 33.433 446 HB VAL 55 HB VAL 55 3.562 9.024 34.783 447 HG11 VAL 55 HG11 VAL 55 6.112 10.500 35.536 448 HG12 VAL 55 HG12 VAL 55 6.031 8.867 34.882 449 HG13 VAL 55 HG13 VAL 55 5.367 9.211 36.476 450 HG21 VAL 55 HG21 VAL 55 4.071 11.816 35.864 451 HG22 VAL 55 HG22 VAL 55 3.181 10.524 36.661 452 HG23 VAL 55 HG23 VAL 55 2.526 11.275 35.212 453 H GLU 56 HN GLU 56 6.597 9.716 32.664 454 HA GLU 56 HA GLU 56 5.471 7.467 31.046 455 HB2 GLU 56 HB2 GLU 56 7.806 9.365 30.513 456 HB3 GLU 56 HB1 GLU 56 7.594 7.864 29.621 457 HG2 GLU 56 HG2 GLU 56 5.199 8.718 29.128 458 HG3 GLU 56 HG1 GLU 56 5.792 10.290 29.659 459 H LEU 57 HN LEU 57 5.915 5.682 32.206 460 HA LEU 57 HA LEU 57 8.376 5.596 33.830 461 HB2 LEU 57 HB2 LEU 57 6.505 3.245 33.305 462 HB3 LEU 57 HB1 LEU 57 7.509 3.525 34.713 463 HG LEU 57 HG LEU 57 5.342 5.501 34.018 464 HD11 LEU 57 HD11 LEU 57 3.983 4.100 35.754 465 HD12 LEU 57 HD12 LEU 57 5.050 2.781 35.287 466 HD13 LEU 57 HD13 LEU 57 4.020 3.546 34.084 467 HD21 LEU 57 HD21 LEU 57 7.161 5.846 35.799 468 HD22 LEU 57 HD22 LEU 57 6.371 4.557 36.702 469 HD23 LEU 57 HD23 LEU 57 5.497 6.043 36.341 470 H SER 58 HN SER 58 10.236 4.640 33.259 471 HA SER 58 HA SER 58 10.379 3.584 30.505 472 HB2 SER 58 HB2 SER 58 12.917 3.576 31.090 473 HB3 SER 58 HB1 SER 58 12.127 5.165 31.125 474 HG SER 58 HG SER 58 11.618 4.566 33.397 475 HA PRO 59 HA PRO 59 10.349 -0.663 31.742 476 HB2 PRO 59 HB2 PRO 59 11.926 -1.543 29.503 477 HB3 PRO 59 HB1 PRO 59 10.165 -1.558 29.622 478 HG2 PRO 59 HG2 PRO 59 11.875 0.252 28.065 479 HG3 PRO 59 HG1 PRO 59 10.121 0.076 28.004 480 HD2 PRO 59 HD1 PRO 59 11.571 2.240 29.164 481 HD3 PRO 59 HD2 PRO 59 9.827 1.938 29.286 482 H TYR 60 HN TYR 60 13.062 1.264 31.557 483 HA TYR 60 HA TYR 60 14.973 -0.820 32.141 484 HB2 TYR 60 HB2 TYR 60 15.075 2.130 31.560 485 HB3 TYR 60 HB1 TYR 60 16.400 1.439 32.495 486 HD1 TYR 60 HD1 TYR 60 17.395 -0.815 31.500 487 HD2 TYR 60 HD2 TYR 60 15.209 2.038 29.223 488 HE1 TYR 60 HE1 TYR 60 18.386 -1.699 29.439 489 HE2 TYR 60 HE2 TYR 60 16.200 1.152 27.163 490 HH TYR 60 HH TYR 60 17.206 -0.981 26.374 491 H ASP 61 HN ASP 61 12.955 1.449 33.638 492 HA ASP 61 HA ASP 61 13.779 0.447 36.243 493 HB2 ASP 61 HB2 ASP 61 14.028 3.350 35.370 494 HB3 ASP 61 HB1 ASP 61 13.887 2.913 37.072 495 H LEU 62 HN LEU 62 11.707 -0.432 36.324 496 HA LEU 62 HA LEU 62 9.346 1.155 35.876 497 HB2 LEU 62 HB2 LEU 62 9.797 -1.477 37.357 498 HB3 LEU 62 HB1 LEU 62 8.203 -0.803 37.041 499 HG LEU 62 HG LEU 62 10.019 -0.981 34.695 500 HD11 LEU 62 HD21 LEU 62 10.565 -3.123 35.606 501 HD12 LEU 62 HD22 LEU 62 9.288 -3.434 34.435 502 HD13 LEU 62 HD23 LEU 62 8.913 -3.393 36.155 503 HD21 LEU 62 HD11 LEU 62 7.195 -2.003 34.931 504 HD22 LEU 62 HD12 LEU 62 7.994 -1.274 33.542 505 HD23 LEU 62 HD13 LEU 62 7.496 -0.268 34.897 506 H THR 63 HN THR 63 11.417 2.054 37.787 507 HA THR 63 HA THR 63 9.632 2.471 40.155 508 HB THR 63 HB THR 63 12.642 2.854 40.318 509 HG1 THR 63 HG1 THR 63 12.370 0.457 40.927 510 HG21 THR 63 HG21 THR 63 10.891 1.271 42.222 511 HG22 THR 63 HG22 THR 63 10.706 3.022 42.223 512 HG23 THR 63 HG23 THR 63 12.266 2.302 42.604 513 H ARG 64 HN ARG 64 11.104 3.897 37.504 514 HA ARG 64 HA ARG 64 10.516 6.581 38.631 515 HB2 ARG 64 HB2 ARG 64 13.037 6.126 36.992 516 HB3 ARG 64 HB1 ARG 64 12.663 7.465 38.071 517 HG2 ARG 64 HG2 ARG 64 12.906 6.045 40.025 518 HG3 ARG 64 HG1 ARG 64 13.050 4.608 39.021 519 HD2 ARG 64 HD2 ARG 64 15.278 4.934 38.848 520 HD3 ARG 64 HD1 ARG 64 15.000 6.521 38.134 521 HE ARG 64 HE ARG 64 14.774 7.284 40.619 522 HH11 ARG 64 HH11 ARG 64 15.374 5.447 42.429 523 HH12 ARG 64 HH12 ARG 64 17.086 5.179 42.429 524 HH21 ARG 64 HH21 ARG 64 17.519 6.648 39.276 525 HH22 ARG 64 HH22 ARG 64 18.332 5.881 40.599 526 H GLY 65 HN GLY 65 10.027 8.145 37.113 527 HA2 GLY 65 HA2 GLY 65 9.801 7.250 34.276 528 HA3 GLY 65 HA1 GLY 65 8.394 7.924 35.092 529 H ARG 66 HN ARG 66 8.338 9.666 33.574 530 HA ARG 66 HA ARG 66 9.950 11.928 34.478 531 HB2 ARG 66 HB2 ARG 66 10.894 12.274 32.067 532 HB3 ARG 66 HB1 ARG 66 11.656 11.028 33.049 533 HG2 ARG 66 HG2 ARG 66 10.047 9.361 31.978 534 HG3 ARG 66 HG1 ARG 66 9.592 10.642 30.860 535 HD2 ARG 66 HD2 ARG 66 12.095 9.059 31.000 536 HD3 ARG 66 HD1 ARG 66 11.329 9.829 29.611 537 HE ARG 66 HE ARG 66 12.383 11.844 31.359 538 HH11 ARG 66 HH11 ARG 66 12.658 11.536 28.342 539 HH12 ARG 66 HH12 ARG 66 14.371 11.350 28.174 540 HH21 ARG 66 HH21 ARG 66 14.830 10.652 31.579 541 HH22 ARG 66 HH22 ARG 66 15.634 10.835 30.055 542 H ILE 67 HN ILE 67 9.119 13.896 33.867 543 HA ILE 67 HA ILE 67 6.470 13.825 32.528 544 HB ILE 67 HB ILE 67 8.042 15.892 34.128 545 HG12 ILE 67 HG12 ILE 67 6.209 15.707 35.666 546 HG13 ILE 67 HG11 ILE 67 5.250 14.792 34.513 547 HG21 ILE 67 HG21 ILE 67 5.819 17.260 33.752 548 HG22 ILE 67 HG22 ILE 67 5.575 16.205 32.364 549 HG23 ILE 67 HG23 ILE 67 6.994 17.243 32.441 550 HD11 ILE 67 HD11 ILE 67 7.931 13.799 35.453 551 HD12 ILE 67 HD12 ILE 67 6.630 12.880 34.704 552 HD13 ILE 67 HD13 ILE 67 6.462 13.457 36.359 553 H THR 68 HN THR 68 6.309 14.269 30.455 554 HA THR 68 HA THR 68 8.336 16.081 29.195 555 HB THR 68 HB THR 68 8.058 14.646 27.116 556 HG1 THR 68 HG1 THR 68 5.986 13.935 27.535 557 HG21 THR 68 HG21 THR 68 9.119 13.677 29.707 558 HG22 THR 68 HG22 THR 68 9.779 13.412 28.095 559 HG23 THR 68 HG23 THR 68 8.527 12.344 28.719 560 H TRP 69 HN TRP 69 5.306 15.967 30.216 561 HA TRP 69 HA TRP 69 4.452 18.062 28.400 562 HB2 TRP 69 HB2 TRP 69 2.305 16.351 28.004 563 HB3 TRP 69 HB1 TRP 69 3.618 16.554 26.846 564 HD1 TRP 69 HD1 TRP 69 4.138 14.718 30.199 565 HE1 TRP 69 HE1 TRP 69 4.747 12.334 29.604 566 HE3 TRP 69 HE3 TRP 69 3.213 14.979 25.381 567 HZ2 TRP 69 HZ2 TRP 69 4.677 10.619 27.123 568 HZ3 TRP 69 HZ3 TRP 69 3.402 13.049 23.869 569 HH2 TRP 69 HH2 TRP 69 4.145 10.873 24.738 570 H ARG 70 HN ARG 70 3.654 19.354 29.941 571 HA ARG 70 HA ARG 70 2.408 18.387 32.310 572 HB2 ARG 70 HB2 ARG 70 1.931 20.841 32.691 573 HB3 ARG 70 HB1 ARG 70 3.622 20.525 32.309 574 HG2 ARG 70 HG2 ARG 70 3.302 21.182 30.012 575 HG3 ARG 70 HG1 ARG 70 1.556 21.259 30.221 576 HD2 ARG 70 HD2 ARG 70 2.498 22.939 32.225 577 HD3 ARG 70 HD1 ARG 70 3.598 23.261 30.885 578 HE ARG 70 HE ARG 70 0.771 23.231 30.118 579 HH11 ARG 70 HH11 ARG 70 2.177 25.187 32.308 580 HH12 ARG 70 HH12 ARG 70 2.151 26.644 31.370 581 HH21 ARG 70 HH21 ARG 70 1.270 24.967 28.420 582 HH22 ARG 70 HH22 ARG 70 1.628 26.515 29.110 583 H LYS 71 HN LYS 71 0.217 19.034 32.993 584 HA LYS 71 HA LYS 71 -1.829 17.973 31.500 585 HB2 LYS 71 HB2 LYS 71 -1.655 19.465 33.850 586 HB3 LYS 71 HB1 LYS 71 -2.638 20.503 32.825 587 HG2 LYS 71 HG2 LYS 71 -3.211 17.551 33.165 588 HG3 LYS 71 HG1 LYS 71 -3.916 18.775 34.214 589 HD2 LYS 71 HD2 LYS 71 -4.657 19.944 32.020 590 HD3 LYS 71 HD1 LYS 71 -4.307 18.404 31.242 591 HE2 LYS 71 HE2 LYS 71 -6.507 19.130 33.085 592 HE3 LYS 71 HE1 LYS 71 -6.463 17.907 31.821 593 HZ1 LYS 71 HZ1 LYS 71 -6.514 16.610 33.671 594 HZ2 LYS 71 HZ2 LYS 71 -5.649 17.715 34.627 595 HZ3 LYS 71 HZ3 LYS 71 -4.834 16.759 33.484 596 H LYS 72 HN LYS 72 -2.973 18.483 29.729 597 HA LYS 72 HA LYS 72 -2.122 20.769 28.129 598 HB2 LYS 72 HB2 LYS 72 -4.016 19.892 26.599 599 HB3 LYS 72 HB1 LYS 72 -2.724 18.744 26.937 600 HG2 LYS 72 HG2 LYS 72 -4.074 17.696 28.697 601 HG3 LYS 72 HG1 LYS 72 -5.344 18.894 28.470 602 HD2 LYS 72 HD2 LYS 72 -5.393 18.106 26.006 603 HD3 LYS 72 HD1 LYS 72 -4.464 16.718 26.562 604 HE2 LYS 72 HE2 LYS 72 -6.736 16.020 26.705 605 HE3 LYS 72 HE1 LYS 72 -6.289 16.425 28.357 606 HZ1 LYS 72 HZ1 LYS 72 -8.063 17.833 26.512 607 HZ2 LYS 72 HZ2 LYS 72 -7.170 18.764 27.616 608 HZ3 LYS 72 HZ3 LYS 72 -8.225 17.560 28.181 Start of MODEL 3 1 HA MET 1 HA MET 1 4.043 4.346 18.827 2 HB2 MET 1 HB2 MET 1 5.093 6.444 19.660 3 HB3 MET 1 HB1 MET 1 4.196 5.671 20.963 4 HG2 MET 1 HG2 MET 1 6.450 4.486 21.481 5 HG3 MET 1 HG1 MET 1 7.166 5.737 20.501 6 HE1 MET 1 HE1 MET 1 4.585 5.147 23.100 7 HE2 MET 1 HE2 MET 1 4.068 6.814 22.841 8 HE3 MET 1 HE3 MET 1 4.834 6.354 24.362 9 H ALA 2 HN ALA 2 6.446 6.153 18.663 10 HA ALA 2 HA ALA 2 7.833 4.569 16.641 11 HB1 ALA 2 HB1 ALA 2 9.248 6.759 16.531 12 HB2 ALA 2 HB2 ALA 2 8.111 7.408 17.708 13 HB3 ALA 2 HB3 ALA 2 7.542 6.901 16.120 14 H LYS 3 HN LYS 3 9.183 3.057 17.359 15 HA LYS 3 HA LYS 3 10.962 2.046 18.481 16 HB2 LYS 3 HB2 LYS 3 12.114 3.938 17.224 17 HB3 LYS 3 HB1 LYS 3 11.983 4.921 18.676 18 HG2 LYS 3 HG2 LYS 3 13.362 3.391 19.934 19 HG3 LYS 3 HG1 LYS 3 13.304 2.194 18.645 20 HD2 LYS 3 HD2 LYS 3 14.835 3.325 17.339 21 HD3 LYS 3 HD1 LYS 3 14.322 4.904 17.922 22 HE2 LYS 3 HE2 LYS 3 16.563 4.381 18.784 23 HE3 LYS 3 HE1 LYS 3 15.409 4.432 20.109 24 HZ1 LYS 3 HZ1 LYS 3 15.210 1.935 19.721 25 HZ2 LYS 3 HZ2 LYS 3 16.616 2.511 20.481 26 HZ3 LYS 3 HZ3 LYS 3 16.653 2.081 18.839 27 H LYS 4 HN LYS 4 11.607 4.972 20.287 28 HA LYS 4 HA LYS 4 11.739 3.782 22.786 29 HB2 LYS 4 HB2 LYS 4 10.907 6.147 23.628 30 HB3 LYS 4 HB1 LYS 4 12.404 6.067 22.705 31 HG2 LYS 4 HG2 LYS 4 11.415 6.942 20.772 32 HG3 LYS 4 HG1 LYS 4 9.797 6.442 21.252 33 HD2 LYS 4 HD2 LYS 4 9.618 8.191 22.861 34 HD3 LYS 4 HD1 LYS 4 11.348 8.505 22.830 35 HE2 LYS 4 HE2 LYS 4 10.086 8.749 20.188 36 HE3 LYS 4 HE1 LYS 4 9.446 9.889 21.365 37 HZ1 LYS 4 HZ1 LYS 4 12.257 9.547 20.517 38 HZ2 LYS 4 HZ2 LYS 4 11.815 10.438 21.893 39 HZ3 LYS 4 HZ3 LYS 4 11.274 10.922 20.358 40 H ASP 5 HN ASP 5 10.218 2.262 23.226 41 HA ASP 5 HA ASP 5 7.360 3.087 23.250 42 HB2 ASP 5 HB2 ASP 5 8.864 0.461 23.277 43 HB3 ASP 5 HB1 ASP 5 7.229 0.498 23.932 44 H VAL 6 HN VAL 6 7.354 4.394 25.094 45 HA VAL 6 HA VAL 6 8.020 3.037 27.676 46 HB VAL 6 HB VAL 6 7.509 5.634 28.363 47 HG11 VAL 6 HG11 VAL 6 10.041 5.982 27.912 48 HG12 VAL 6 HG12 VAL 6 10.018 4.333 27.296 49 HG13 VAL 6 HG13 VAL 6 9.581 4.653 28.971 50 HG21 VAL 6 HG21 VAL 6 8.785 5.885 25.635 51 HG22 VAL 6 HG22 VAL 6 8.119 7.162 26.650 52 HG23 VAL 6 HG23 VAL 6 7.042 6.026 25.843 53 H ILE 7 HN ILE 7 6.568 3.526 29.503 54 HA ILE 7 HA ILE 7 3.755 3.266 28.589 55 HB ILE 7 HB ILE 7 5.118 2.869 31.305 56 HG12 ILE 7 HG12 ILE 7 4.039 1.000 29.174 57 HG13 ILE 7 HG11 ILE 7 5.683 1.094 29.797 58 HG21 ILE 7 HG21 ILE 7 2.230 2.281 30.444 59 HG22 ILE 7 HG22 ILE 7 2.697 3.636 31.465 60 HG23 ILE 7 HG23 ILE 7 2.911 1.989 32.042 61 HD11 ILE 7 HD11 ILE 7 3.215 0.009 31.150 62 HD12 ILE 7 HD12 ILE 7 4.585 0.561 32.108 63 HD13 ILE 7 HD13 ILE 7 4.790 -0.755 30.957 64 H GLU 8 HN GLU 8 2.927 5.248 28.217 65 HA GLU 8 HA GLU 8 3.551 7.511 29.959 66 HB2 GLU 8 HB2 GLU 8 1.275 7.402 27.946 67 HB3 GLU 8 HB1 GLU 8 2.259 8.789 28.404 68 HG2 GLU 8 HG2 GLU 8 3.162 6.374 26.800 69 HG3 GLU 8 HG1 GLU 8 2.991 8.026 26.211 70 H LEU 9 HN LEU 9 2.629 7.778 31.865 71 HA LEU 9 HA LEU 9 -0.257 7.030 32.185 72 HB2 LEU 9 HB2 LEU 9 2.150 6.245 33.773 73 HB3 LEU 9 HB1 LEU 9 0.770 6.770 34.731 74 HG LEU 9 HG LEU 9 0.280 4.858 32.472 75 HD11 LEU 9 HD11 LEU 9 1.443 4.121 35.181 76 HD12 LEU 9 HD12 LEU 9 2.190 3.841 33.612 77 HD13 LEU 9 HD13 LEU 9 0.730 2.965 34.059 78 HD21 LEU 9 HD21 LEU 9 -1.549 4.172 33.877 79 HD22 LEU 9 HD22 LEU 9 -1.510 5.930 33.947 80 HD23 LEU 9 HD23 LEU 9 -0.858 4.981 35.280 81 H GLU 10 HN GLU 10 -1.449 8.348 33.600 82 HA GLU 10 HA GLU 10 -0.347 11.069 33.809 83 HB2 GLU 10 HB2 GLU 10 -3.096 10.013 34.612 84 HB3 GLU 10 HB1 GLU 10 -2.660 11.701 34.371 85 HG2 GLU 10 HG2 GLU 10 -2.288 11.337 32.004 86 HG3 GLU 10 HG1 GLU 10 -2.462 9.595 32.193 87 H GLY 11 HN GLY 11 0.023 12.194 35.679 88 HA2 GLY 11 HA2 GLY 11 -0.652 10.938 38.264 89 HA3 GLY 11 HA1 GLY 11 1.066 11.067 37.915 90 H THR 12 HN THR 12 0.010 12.358 40.096 91 HA THR 12 HA THR 12 -0.061 15.216 39.230 92 HB THR 12 HB THR 12 -1.065 14.016 41.877 93 HG1 THR 12 HG1 THR 12 -2.383 14.807 39.478 94 HG21 THR 12 HG21 THR 12 -1.948 16.586 40.483 95 HG22 THR 12 HG22 THR 12 -0.540 16.618 41.538 96 HG23 THR 12 HG23 THR 12 -2.114 16.169 42.186 97 H VAL 13 HN VAL 13 1.618 16.430 39.721 98 HA VAL 13 HA VAL 13 3.883 15.344 41.100 99 HB VAL 13 HB VAL 13 3.235 18.309 40.870 100 HG11 VAL 13 HG21 VAL 13 5.268 18.042 42.040 101 HG12 VAL 13 HG22 VAL 13 5.808 18.211 40.373 102 HG13 VAL 13 HG23 VAL 13 5.720 16.615 41.114 103 HG21 VAL 13 HG11 VAL 13 2.808 17.092 38.723 104 HG22 VAL 13 HG12 VAL 13 4.465 16.502 38.774 105 HG23 VAL 13 HG13 VAL 13 4.148 18.225 38.617 106 H SER 14 HN SER 14 3.905 14.781 43.131 107 HA SER 14 HA SER 14 2.222 16.218 45.061 108 HB2 SER 14 HB2 SER 14 4.109 13.929 45.740 109 HB3 SER 14 HB1 SER 14 2.523 14.302 46.442 110 HG SER 14 HG SER 14 1.652 13.189 44.900 111 H GLU 15 HN GLU 15 5.660 15.795 44.324 112 HA GLU 15 HA GLU 15 6.191 18.094 46.112 113 HB2 GLU 15 HB2 GLU 15 6.388 15.722 47.341 114 HB3 GLU 15 HB1 GLU 15 7.938 15.654 46.510 115 HG2 GLU 15 HG2 GLU 15 8.763 17.566 47.631 116 HG3 GLU 15 HG1 GLU 15 7.151 18.118 48.073 117 H ALA 16 HN ALA 16 7.864 19.307 45.458 118 HA ALA 16 HA ALA 16 9.273 18.397 43.010 119 HB1 ALA 16 HB1 ALA 16 8.013 20.715 43.387 120 HB2 ALA 16 HB2 ALA 16 9.528 20.692 42.493 121 HB3 ALA 16 HB3 ALA 16 9.513 21.175 44.186 122 H LEU 17 HN LEU 17 11.209 17.543 43.238 123 HA LEU 17 HA LEU 17 12.891 18.358 45.553 124 HB2 LEU 17 HB2 LEU 17 13.414 15.979 43.749 125 HB3 LEU 17 HB1 LEU 17 13.885 16.189 45.425 126 HG LEU 17 HG LEU 17 11.046 15.925 44.461 127 HD11 LEU 17 HD21 LEU 17 12.593 13.862 44.365 128 HD12 LEU 17 HD22 LEU 17 11.093 13.691 45.270 129 HD13 LEU 17 HD23 LEU 17 12.610 13.956 46.122 130 HD21 LEU 17 HD11 LEU 17 12.273 16.105 47.215 131 HD22 LEU 17 HD12 LEU 17 10.593 15.686 46.911 132 HD23 LEU 17 HD13 LEU 17 11.196 17.279 46.469 133 HA PRO 18 HA PRO 18 15.775 20.443 43.013 134 HB2 PRO 18 HB2 PRO 18 18.112 19.043 44.078 135 HB3 PRO 18 HB1 PRO 18 17.600 20.704 44.389 136 HG2 PRO 18 HG2 PRO 18 17.406 18.459 46.187 137 HG3 PRO 18 HG1 PRO 18 16.817 20.099 46.464 138 HD2 PRO 18 HD1 PRO 18 15.253 17.733 45.952 139 HD3 PRO 18 HD2 PRO 18 14.665 19.378 46.216 140 H ASN 19 HN ASN 19 18.172 19.669 42.026 141 HA ASN 19 HA ASN 19 18.972 18.689 40.088 142 HB2 ASN 19 HB2 ASN 19 19.369 16.316 40.333 143 HB3 ASN 19 HB1 ASN 19 19.326 16.947 41.973 144 HD21 ASN 19 HD21 ASN 19 17.498 16.386 43.322 145 HD22 ASN 19 HD22 ASN 19 16.390 15.180 42.875 146 H ALA 20 HN ALA 20 16.213 19.575 39.917 147 HA ALA 20 HA ALA 20 14.372 19.400 38.474 148 HB1 ALA 20 HB1 ALA 20 16.338 19.567 36.867 149 HB2 ALA 20 HB2 ALA 20 14.962 18.698 36.195 150 HB3 ALA 20 HB3 ALA 20 16.362 17.808 36.787 151 H MET 21 HN MET 21 13.894 17.696 40.353 152 HA MET 21 HA MET 21 12.717 15.397 38.952 153 HB2 MET 21 HB2 MET 21 14.846 15.258 41.108 154 HB3 MET 21 HB1 MET 21 13.611 14.009 41.058 155 HG2 MET 21 HG2 MET 21 14.157 13.624 38.661 156 HG3 MET 21 HG1 MET 21 15.439 14.798 38.786 157 HE1 MET 21 HE1 MET 21 13.906 11.911 40.457 158 HE2 MET 21 HE2 MET 21 14.995 12.094 41.832 159 HE3 MET 21 HE3 MET 21 15.176 10.722 40.740 160 H PHE 22 HN PHE 22 10.797 14.855 39.836 161 HA PHE 22 HA PHE 22 10.103 16.014 42.485 162 HB2 PHE 22 HB2 PHE 22 7.868 15.746 40.539 163 HB3 PHE 22 HB1 PHE 22 8.206 17.049 41.658 164 HD1 PHE 22 HD1 PHE 22 8.324 16.005 38.249 165 HD2 PHE 22 HD2 PHE 22 10.158 18.657 41.031 166 HE1 PHE 22 HE1 PHE 22 8.963 17.498 36.414 167 HE2 PHE 22 HE2 PHE 22 10.785 20.151 39.192 168 HZ PHE 22 HZ PHE 22 10.153 19.582 36.896 169 H LYS 23 HN LYS 23 8.236 15.048 43.487 170 HA LYS 23 HA LYS 23 8.151 12.124 42.927 171 HB2 LYS 23 HB2 LYS 23 8.754 13.270 45.277 172 HB3 LYS 23 HB1 LYS 23 7.006 13.428 45.414 173 HG2 LYS 23 HG2 LYS 23 6.783 10.980 44.974 174 HG3 LYS 23 HG1 LYS 23 8.537 10.849 44.941 175 HD2 LYS 23 HD2 LYS 23 7.157 12.103 47.308 176 HD3 LYS 23 HD1 LYS 23 7.282 10.352 47.183 177 HE2 LYS 23 HE2 LYS 23 9.545 12.366 47.263 178 HE3 LYS 23 HE1 LYS 23 9.212 11.079 48.416 179 HZ1 LYS 23 HZ1 LYS 23 9.442 9.788 46.031 180 HZ2 LYS 23 HZ2 LYS 23 10.629 9.876 47.240 181 HZ3 LYS 23 HZ3 LYS 23 10.648 10.982 45.952 182 H VAL 24 HN VAL 24 6.487 11.664 41.640 183 HA VAL 24 HA VAL 24 4.026 13.299 41.838 184 HB VAL 24 HB VAL 24 4.789 11.083 39.892 185 HG11 VAL 24 HG11 VAL 24 2.979 11.891 38.537 186 HG12 VAL 24 HG12 VAL 24 2.739 13.288 39.576 187 HG13 VAL 24 HG13 VAL 24 2.324 11.678 40.154 188 HG21 VAL 24 HG21 VAL 24 5.097 14.089 39.773 189 HG22 VAL 24 HG22 VAL 24 5.204 13.050 38.359 190 HG23 VAL 24 HG23 VAL 24 6.371 12.879 39.663 191 H LYS 25 HN LYS 25 2.009 12.417 42.064 192 HA LYS 25 HA LYS 25 1.958 9.695 43.317 193 HB2 LYS 25 HB2 LYS 25 1.539 11.501 44.981 194 HB3 LYS 25 HB1 LYS 25 0.259 12.149 43.967 195 HG2 LYS 25 HG2 LYS 25 -0.806 9.784 44.154 196 HG3 LYS 25 HG1 LYS 25 0.305 9.545 45.496 197 HD2 LYS 25 HD2 LYS 25 -1.481 11.979 45.329 198 HD3 LYS 25 HD1 LYS 25 -2.032 10.479 46.067 199 HE2 LYS 25 HE2 LYS 25 -1.132 11.697 47.886 200 HE3 LYS 25 HE1 LYS 25 0.163 10.592 47.449 201 HZ1 LYS 25 HZ1 LYS 25 1.392 12.257 46.497 202 HZ2 LYS 25 HZ2 LYS 25 0.665 13.085 47.789 203 HZ3 LYS 25 HZ3 LYS 25 0.048 13.256 46.216 204 H LEU 26 HN LEU 26 1.034 8.356 41.904 205 HA LEU 26 HA LEU 26 -0.690 9.189 39.798 206 HB2 LEU 26 HB2 LEU 26 -0.220 6.465 41.092 207 HB3 LEU 26 HB1 LEU 26 -1.101 6.701 39.588 208 HG LEU 26 HG LEU 26 1.115 8.098 38.988 209 HD11 LEU 26 HD21 LEU 26 1.934 6.036 41.042 210 HD12 LEU 26 HD22 LEU 26 2.330 7.750 41.017 211 HD13 LEU 26 HD23 LEU 26 3.056 6.663 39.838 212 HD21 LEU 26 HD11 LEU 26 1.860 6.117 37.770 213 HD22 LEU 26 HD12 LEU 26 0.099 6.156 37.761 214 HD23 LEU 26 HD13 LEU 26 0.951 5.071 38.856 215 H GLU 27 HN GLU 27 -2.859 7.901 39.567 216 HA GLU 27 HA GLU 27 -4.604 8.986 41.632 217 HB2 GLU 27 HB2 GLU 27 -5.113 7.261 39.159 218 HB3 GLU 27 HB1 GLU 27 -6.402 7.882 40.186 219 HG2 GLU 27 HG2 GLU 27 -5.571 10.198 39.780 220 HG3 GLU 27 HG1 GLU 27 -4.349 9.549 38.691 221 H ASN 28 HN ASN 28 -3.156 5.922 40.941 222 HA ASN 28 HA ASN 28 -5.023 4.270 42.364 223 HB2 ASN 28 HB2 ASN 28 -2.775 2.845 42.631 224 HB3 ASN 28 HB1 ASN 28 -3.503 3.033 41.039 225 HD21 ASN 28 HD21 ASN 28 -0.969 4.378 43.180 226 HD22 ASN 28 HD22 ASN 28 -0.014 5.007 41.926 227 H GLY 29 HN GLY 29 -2.747 6.576 43.396 228 HA2 GLY 29 HA2 GLY 29 -2.869 7.327 45.741 229 HA3 GLY 29 HA1 GLY 29 -3.107 5.653 46.216 230 H HIS 30 HN HIS 30 -0.863 5.316 43.926 231 HA HIS 30 HA HIS 30 1.323 5.386 45.946 232 HB2 HIS 30 HB2 HIS 30 1.425 4.259 43.116 233 HB3 HIS 30 HB1 HIS 30 2.449 3.825 44.483 234 HD1 HIS 30 HD1 HIS 30 -0.692 3.003 42.990 235 HD2 HIS 30 HD2 HIS 30 1.050 2.404 46.595 236 HE1 HIS 30 HE1 HIS 30 -2.062 1.334 44.058 237 H GLU 31 HN GLU 31 3.560 5.839 44.837 238 HA GLU 31 HA GLU 31 3.305 8.127 43.015 239 HB2 GLU 31 HB2 GLU 31 5.176 9.207 44.546 240 HB3 GLU 31 HB1 GLU 31 3.492 9.338 45.039 241 HG2 GLU 31 HG2 GLU 31 3.778 7.272 46.424 242 HG3 GLU 31 HG1 GLU 31 5.487 7.256 45.995 243 H ILE 32 HN ILE 32 5.282 8.837 42.034 244 HA ILE 32 HA ILE 32 7.422 6.793 42.048 245 HB ILE 32 HB ILE 32 5.824 7.670 39.676 246 HG12 ILE 32 HG12 ILE 32 6.543 4.892 40.595 247 HG13 ILE 32 HG11 ILE 32 5.067 5.709 41.091 248 HG21 ILE 32 HG21 ILE 32 8.144 7.751 38.975 249 HG22 ILE 32 HG22 ILE 32 7.515 6.209 38.399 250 HG23 ILE 32 HG23 ILE 32 8.508 6.269 39.850 251 HD11 ILE 32 HD11 ILE 32 5.847 4.688 38.389 252 HD12 ILE 32 HD12 ILE 32 4.820 6.117 38.472 253 HD13 ILE 32 HD13 ILE 32 4.289 4.606 39.205 254 H LEU 33 HN LEU 33 9.371 7.508 40.906 255 HA LEU 33 HA LEU 33 9.752 10.375 41.374 256 HB2 LEU 33 HB2 LEU 33 11.586 8.050 40.635 257 HB3 LEU 33 HB1 LEU 33 12.173 9.710 40.661 258 HG LEU 33 HG LEU 33 11.733 9.938 42.996 259 HD11 LEU 33 HD21 LEU 33 10.531 8.076 44.237 260 HD12 LEU 33 HD22 LEU 33 10.122 7.389 42.670 261 HD13 LEU 33 HD23 LEU 33 9.518 8.981 43.118 262 HD21 LEU 33 HD11 LEU 33 12.692 7.094 42.520 263 HD22 LEU 33 HD12 LEU 33 12.940 8.022 43.996 264 HD23 LEU 33 HD13 LEU 33 13.709 8.531 42.497 265 H CYS 34 HN CYS 34 9.831 11.884 39.808 266 HA CYS 34 HA CYS 34 10.080 10.916 36.986 267 HB2 CYS 34 HB2 CYS 34 8.229 13.161 37.823 268 HB3 CYS 34 HB1 CYS 34 8.248 12.299 36.308 269 HG CYS 34 HG1 CYS 34 6.188 11.523 37.703 270 H HIS 35 HN HIS 35 11.356 12.079 35.732 271 HA HIS 35 HA HIS 35 12.618 14.509 36.925 272 HB2 HIS 35 HB2 HIS 35 13.827 12.311 35.911 273 HB3 HIS 35 HB1 HIS 35 13.594 13.164 34.390 274 HD1 HIS 35 HD1 HIS 35 15.726 13.134 37.234 275 HD2 HIS 35 HD2 HIS 35 14.809 15.841 34.357 276 HE1 HIS 35 HE1 HIS 35 17.504 14.774 37.345 277 H ILE 36 HN ILE 36 13.352 16.102 35.159 278 HA ILE 36 HA ILE 36 10.938 16.831 33.650 279 HB ILE 36 HB ILE 36 13.528 18.198 34.409 280 HG12 ILE 36 HG12 ILE 36 10.768 19.320 34.711 281 HG13 ILE 36 HG11 ILE 36 11.250 17.991 35.763 282 HG21 ILE 36 HG21 ILE 36 11.399 19.132 32.411 283 HG22 ILE 36 HG22 ILE 36 13.114 18.901 32.080 284 HG23 ILE 36 HG23 ILE 36 12.589 20.211 33.130 285 HD11 ILE 36 HD11 ILE 36 13.347 20.042 35.521 286 HD12 ILE 36 HD12 ILE 36 12.647 19.330 36.970 287 HD13 ILE 36 HD13 ILE 36 11.854 20.691 36.180 288 H SER 37 HN SER 37 11.197 17.754 31.467 289 HA SER 37 HA SER 37 13.279 16.355 29.880 290 HB2 SER 37 HB2 SER 37 10.312 16.232 29.704 291 HB3 SER 37 HB1 SER 37 11.105 16.559 28.152 292 HG SER 37 HG SER 37 11.576 14.507 28.203 293 H GLY 38 HN GLY 38 13.690 17.388 27.776 294 HA2 GLY 38 HA2 GLY 38 13.787 20.298 28.098 295 HA3 GLY 38 HA1 GLY 38 14.495 19.384 26.772 296 H LYS 39 HN LYS 39 11.724 18.057 26.479 297 HA LYS 39 HA LYS 39 10.808 19.801 24.398 298 HB2 LYS 39 HB2 LYS 39 9.764 17.302 25.742 299 HB3 LYS 39 HB1 LYS 39 8.701 18.186 24.655 300 HG2 LYS 39 HG2 LYS 39 11.323 17.908 23.451 301 HG3 LYS 39 HG1 LYS 39 10.721 16.331 23.944 302 HD2 LYS 39 HD2 LYS 39 9.914 16.746 21.701 303 HD3 LYS 39 HD1 LYS 39 8.541 16.887 22.793 304 HE2 LYS 39 HE2 LYS 39 8.738 19.328 22.787 305 HE3 LYS 39 HE1 LYS 39 10.195 19.235 21.806 306 HZ1 LYS 39 HZ1 LYS 39 7.453 19.093 21.016 307 HZ2 LYS 39 HZ2 LYS 39 8.369 17.803 20.396 308 HZ3 LYS 39 HZ3 LYS 39 8.838 19.403 20.081 309 H LEU 40 HN LEU 40 9.115 18.809 27.352 310 HA LEU 40 HA LEU 40 7.065 20.707 27.134 311 HB2 LEU 40 HB2 LEU 40 6.539 20.089 29.354 312 HB3 LEU 40 HB1 LEU 40 7.572 18.740 28.903 313 HG LEU 40 HG LEU 40 9.463 20.463 29.779 314 HD11 LEU 40 HD11 LEU 40 7.238 21.897 30.392 315 HD12 LEU 40 HD12 LEU 40 8.716 21.980 31.344 316 HD13 LEU 40 HD13 LEU 40 7.393 20.942 31.862 317 HD21 LEU 40 HD21 LEU 40 7.755 18.443 31.219 318 HD22 LEU 40 HD22 LEU 40 9.033 19.291 32.084 319 HD23 LEU 40 HD23 LEU 40 9.427 18.293 30.686 320 H ARG 41 HN ARG 41 10.370 21.118 27.820 321 HA ARG 41 HA ARG 41 10.128 23.607 29.264 322 HB2 ARG 41 HB2 ARG 41 12.242 21.853 28.332 323 HB3 ARG 41 HB1 ARG 41 12.617 23.499 27.834 324 HG2 ARG 41 HG2 ARG 41 11.736 22.828 30.651 325 HG3 ARG 41 HG1 ARG 41 13.429 22.814 30.170 326 HD2 ARG 41 HD2 ARG 41 13.261 25.170 29.456 327 HD3 ARG 41 HD1 ARG 41 11.551 25.188 29.885 328 HE ARG 41 HE ARG 41 13.790 25.338 31.759 329 HH11 ARG 41 HH11 ARG 41 10.764 26.339 31.508 330 HH12 ARG 41 HH12 ARG 41 10.159 25.726 33.011 331 HH21 ARG 41 HH21 ARG 41 12.976 23.712 33.553 332 HH22 ARG 41 HH22 ARG 41 11.445 24.198 34.198 333 H MET 42 HN MET 42 10.681 22.745 25.869 334 HA MET 42 HA MET 42 10.878 25.499 25.048 335 HB2 MET 42 HB2 MET 42 10.825 24.591 22.760 336 HB3 MET 42 HB1 MET 42 11.820 23.532 23.748 337 HG2 MET 42 HG2 MET 42 10.387 21.794 23.567 338 HG3 MET 42 HG1 MET 42 8.979 22.797 23.752 339 HE1 MET 42 HE1 MET 42 7.928 23.992 20.514 340 HE2 MET 42 HE2 MET 42 9.504 24.751 20.745 341 HE3 MET 42 HE3 MET 42 8.432 24.504 22.125 342 H ASN 43 HN ASN 43 8.210 23.361 25.681 343 HA ASN 43 HA ASN 43 6.283 24.692 23.996 344 HB2 ASN 43 HB2 ASN 43 6.141 22.940 26.475 345 HB3 ASN 43 HB1 ASN 43 4.676 23.699 25.857 346 HD21 ASN 43 HD21 ASN 43 3.784 22.897 23.885 347 HD22 ASN 43 HD22 ASN 43 4.409 21.542 23.074 348 H PHE 44 HN PHE 44 8.081 26.066 26.272 349 HA PHE 44 HA PHE 44 7.841 27.894 27.717 350 HB2 PHE 44 HB2 PHE 44 6.359 28.373 25.211 351 HB3 PHE 44 HB1 PHE 44 5.686 29.309 26.540 352 HD1 PHE 44 HD1 PHE 44 8.768 28.649 24.599 353 HD2 PHE 44 HD2 PHE 44 6.944 31.104 27.568 354 HE1 PHE 44 HE1 PHE 44 10.649 30.222 24.462 355 HE2 PHE 44 HE2 PHE 44 8.829 32.672 27.421 356 HZ PHE 44 HZ PHE 44 10.678 32.234 25.869 357 H ILE 45 HN ILE 45 7.052 26.587 29.449 358 HA ILE 45 HA ILE 45 4.291 27.296 30.207 359 HB ILE 45 HB ILE 45 5.479 24.495 30.483 360 HG12 ILE 45 HG12 ILE 45 4.844 25.223 28.105 361 HG13 ILE 45 HG11 ILE 45 4.076 23.765 28.705 362 HG21 ILE 45 HG21 ILE 45 3.870 24.869 32.236 363 HG22 ILE 45 HG22 ILE 45 2.959 24.027 30.989 364 HG23 ILE 45 HG23 ILE 45 2.797 25.772 31.173 365 HD11 ILE 45 HD11 ILE 45 2.810 26.524 28.818 366 HD12 ILE 45 HD12 ILE 45 2.043 25.006 29.260 367 HD13 ILE 45 HD13 ILE 45 2.463 25.326 27.582 368 H ARG 46 HN ARG 46 3.980 27.495 32.441 369 HA ARG 46 HA ARG 46 6.346 26.982 34.149 370 HB2 ARG 46 HB2 ARG 46 5.969 29.241 35.229 371 HB3 ARG 46 HB1 ARG 46 6.470 29.363 33.547 372 HG2 ARG 46 HG2 ARG 46 4.545 30.404 32.988 373 HG3 ARG 46 HG1 ARG 46 3.587 29.118 33.711 374 HD2 ARG 46 HD2 ARG 46 3.023 31.084 34.956 375 HD3 ARG 46 HD1 ARG 46 4.150 30.205 35.987 376 HE ARG 46 HE ARG 46 5.667 31.983 34.367 377 HH11 ARG 46 HH11 ARG 46 6.691 33.524 35.704 378 HH12 ARG 46 HH12 ARG 46 5.746 34.350 36.897 379 HH21 ARG 46 HH21 ARG 46 2.939 32.321 36.367 380 HH22 ARG 46 HH22 ARG 46 3.566 33.652 37.281 381 H ILE 47 HN ILE 47 4.907 25.177 34.730 382 HA ILE 47 HA ILE 47 2.727 26.011 36.593 383 HB ILE 47 HB ILE 47 3.358 23.411 35.130 384 HG12 ILE 47 HG12 ILE 47 0.747 24.936 35.201 385 HG13 ILE 47 HG11 ILE 47 2.041 25.433 34.117 386 HG21 ILE 47 HG21 ILE 47 1.280 22.563 36.336 387 HG22 ILE 47 HG22 ILE 47 1.325 24.001 37.343 388 HG23 ILE 47 HG23 ILE 47 2.639 22.829 37.418 389 HD11 ILE 47 HD11 ILE 47 0.839 22.643 34.218 390 HD12 ILE 47 HD12 ILE 47 2.082 23.191 33.100 391 HD13 ILE 47 HD13 ILE 47 0.457 23.862 33.009 392 H LEU 48 HN LEU 48 2.667 25.144 38.716 393 HA LEU 48 HA LEU 48 5.342 24.173 39.671 394 HB2 LEU 48 HB2 LEU 48 3.120 25.653 41.153 395 HB3 LEU 48 HB1 LEU 48 4.648 25.152 41.870 396 HG LEU 48 HG LEU 48 4.680 26.808 39.360 397 HD11 LEU 48 HD11 LEU 48 3.220 28.133 40.721 398 HD12 LEU 48 HD12 LEU 48 4.824 28.821 40.951 399 HD13 LEU 48 HD13 LEU 48 4.133 27.767 42.181 400 HD21 LEU 48 HD21 LEU 48 6.791 25.893 40.178 401 HD22 LEU 48 HD22 LEU 48 6.474 26.518 41.794 402 HD23 LEU 48 HD23 LEU 48 6.783 27.630 40.466 403 H GLU 49 HN GLU 49 5.306 22.832 41.619 404 HA GLU 49 HA GLU 49 4.151 20.399 41.339 405 HB2 GLU 49 HB2 GLU 49 4.134 20.504 44.044 406 HB3 GLU 49 HB1 GLU 49 5.642 20.445 43.138 407 HG2 GLU 49 HG2 GLU 49 6.069 22.724 43.443 408 HG3 GLU 49 HG1 GLU 49 4.367 23.116 43.672 409 H GLY 50 HN GLY 50 2.356 19.299 42.217 410 HA2 GLY 50 HA2 GLY 50 0.191 19.234 43.297 411 HA3 GLY 50 HA1 GLY 50 0.130 20.994 43.218 412 H ASP 51 HN ASP 51 1.239 20.438 40.338 413 HA ASP 51 HA ASP 51 -1.443 20.417 39.131 414 HB2 ASP 51 HB2 ASP 51 1.239 21.453 38.450 415 HB3 ASP 51 HB1 ASP 51 0.425 20.701 37.079 416 H LYS 52 HN LYS 52 -1.987 19.007 37.402 417 HA LYS 52 HA LYS 52 -0.870 16.392 37.699 418 HB2 LYS 52 HB2 LYS 52 -3.013 17.519 35.872 419 HB3 LYS 52 HB1 LYS 52 -2.577 15.815 35.890 420 HG2 LYS 52 HG2 LYS 52 -2.962 16.043 38.489 421 HG3 LYS 52 HG1 LYS 52 -3.918 17.446 38.029 422 HD2 LYS 52 HD2 LYS 52 -5.387 16.127 36.682 423 HD3 LYS 52 HD1 LYS 52 -4.303 14.741 36.726 424 HE2 LYS 52 HE2 LYS 52 -4.719 14.421 39.101 425 HE3 LYS 52 HE1 LYS 52 -5.655 15.909 39.180 426 HZ1 LYS 52 HZ1 LYS 52 -7.453 14.882 38.427 427 HZ2 LYS 52 HZ2 LYS 52 -6.640 13.420 38.719 428 HZ3 LYS 52 HZ3 LYS 52 -6.608 14.115 37.170 429 H VAL 53 HN VAL 53 0.153 15.145 36.266 430 HA VAL 53 HA VAL 53 1.031 16.414 33.737 431 HB VAL 53 HB VAL 53 3.402 15.944 34.354 432 HG11 VAL 53 HG21 VAL 53 3.660 17.795 35.867 433 HG12 VAL 53 HG22 VAL 53 2.028 17.570 36.483 434 HG13 VAL 53 HG23 VAL 53 2.277 18.142 34.842 435 HG21 VAL 53 HG11 VAL 53 2.684 14.114 36.027 436 HG22 VAL 53 HG12 VAL 53 2.411 15.439 37.152 437 HG23 VAL 53 HG13 VAL 53 4.023 15.150 36.508 438 H ASN 54 HN ASN 54 2.220 14.908 32.341 439 HA ASN 54 HA ASN 54 1.156 12.162 32.727 440 HB2 ASN 54 HB2 ASN 54 1.714 13.894 30.432 441 HB3 ASN 54 HB1 ASN 54 2.518 12.337 30.246 442 HD21 ASN 54 HD21 ASN 54 -0.663 13.864 30.736 443 HD22 ASN 54 HD22 ASN 54 -1.573 12.525 30.223 444 H VAL 55 HN VAL 55 2.435 10.652 33.487 445 HA VAL 55 HA VAL 55 5.355 11.146 33.516 446 HB VAL 55 HB VAL 55 3.614 9.195 35.086 447 HG11 VAL 55 HG11 VAL 55 6.563 9.845 35.133 448 HG12 VAL 55 HG12 VAL 55 5.792 8.265 35.075 449 HG13 VAL 55 HG13 VAL 55 5.754 9.208 36.562 450 HG21 VAL 55 HG21 VAL 55 3.321 10.829 36.642 451 HG22 VAL 55 HG22 VAL 55 3.772 11.942 35.354 452 HG23 VAL 55 HG23 VAL 55 4.986 11.383 36.498 453 H GLU 56 HN GLU 56 6.666 9.991 32.303 454 HA GLU 56 HA GLU 56 5.597 7.569 30.936 455 HB2 GLU 56 HB2 GLU 56 8.273 8.899 30.369 456 HB3 GLU 56 HB1 GLU 56 7.265 7.968 29.268 457 HG2 GLU 56 HG2 GLU 56 5.585 9.765 29.253 458 HG3 GLU 56 HG1 GLU 56 6.545 10.690 30.404 459 H LEU 57 HN LEU 57 6.045 5.735 31.961 460 HA LEU 57 HA LEU 57 8.377 5.600 33.762 461 HB2 LEU 57 HB2 LEU 57 6.304 3.462 33.059 462 HB3 LEU 57 HB1 LEU 57 7.405 3.429 34.431 463 HG LEU 57 HG LEU 57 5.430 5.695 34.020 464 HD11 LEU 57 HD11 LEU 57 4.986 3.348 35.876 465 HD12 LEU 57 HD12 LEU 57 4.393 3.311 34.218 466 HD13 LEU 57 HD13 LEU 57 3.819 4.548 35.331 467 HD21 LEU 57 HD21 LEU 57 7.052 4.623 36.351 468 HD22 LEU 57 HD22 LEU 57 5.786 5.835 36.526 469 HD23 LEU 57 HD23 LEU 57 7.218 6.192 35.569 470 H SER 58 HN SER 58 10.092 4.169 33.560 471 HA SER 58 HA SER 58 10.702 3.413 30.782 472 HB2 SER 58 HB2 SER 58 12.207 3.881 33.294 473 HB3 SER 58 HB1 SER 58 12.845 2.537 32.327 474 HG SER 58 HG SER 58 13.038 3.858 30.595 475 HA PRO 59 HA PRO 59 9.401 -0.811 31.319 476 HB2 PRO 59 HB2 PRO 59 11.093 -1.798 29.216 477 HB3 PRO 59 HB1 PRO 59 9.390 -1.354 29.077 478 HG2 PRO 59 HG2 PRO 59 11.745 0.109 28.104 479 HG3 PRO 59 HG1 PRO 59 10.042 0.411 27.752 480 HD2 PRO 59 HD1 PRO 59 11.727 1.961 29.454 481 HD3 PRO 59 HD2 PRO 59 9.971 2.120 29.260 482 H TYR 60 HN TYR 60 12.498 0.338 31.848 483 HA TYR 60 HA TYR 60 13.600 -2.281 32.503 484 HB2 TYR 60 HB2 TYR 60 14.703 0.250 31.566 485 HB3 TYR 60 HB1 TYR 60 15.515 -0.265 33.043 486 HD1 TYR 60 HD1 TYR 60 17.576 -1.180 32.353 487 HD2 TYR 60 HD2 TYR 60 14.041 -2.304 30.272 488 HE1 TYR 60 HE1 TYR 60 18.857 -2.831 31.074 489 HE2 TYR 60 HE2 TYR 60 15.323 -3.960 28.993 490 HH TYR 60 HH TYR 60 18.538 -3.963 28.689 491 H ASP 61 HN ASP 61 12.331 0.576 33.837 492 HA ASP 61 HA ASP 61 12.530 -0.594 36.492 493 HB2 ASP 61 HB2 ASP 61 14.677 0.820 35.975 494 HB3 ASP 61 HB1 ASP 61 13.616 2.218 36.105 495 H LEU 62 HN LEU 62 10.291 -0.586 36.468 496 HA LEU 62 HA LEU 62 8.768 1.775 35.839 497 HB2 LEU 62 HB2 LEU 62 8.073 -0.761 37.388 498 HB3 LEU 62 HB1 LEU 62 6.888 0.465 36.950 499 HG LEU 62 HG LEU 62 8.625 -0.492 34.739 500 HD11 LEU 62 HD21 LEU 62 6.375 -2.222 35.815 501 HD12 LEU 62 HD22 LEU 62 8.080 -2.565 36.092 502 HD13 LEU 62 HD23 LEU 62 7.433 -2.581 34.454 503 HD21 LEU 62 HD11 LEU 62 5.677 0.111 35.136 504 HD22 LEU 62 HD12 LEU 62 6.347 -0.460 33.612 505 HD23 LEU 62 HD13 LEU 62 6.857 1.091 34.271 506 H THR 63 HN THR 63 10.911 1.788 37.928 507 HA THR 63 HA THR 63 9.338 2.728 40.269 508 HB THR 63 HB THR 63 12.344 2.192 39.897 509 HG1 THR 63 HG1 THR 63 11.815 0.318 40.796 510 HG21 THR 63 HG21 THR 63 12.144 2.217 42.515 511 HG22 THR 63 HG22 THR 63 10.625 3.075 42.274 512 HG23 THR 63 HG23 THR 63 12.139 3.795 41.734 513 H ARG 64 HN ARG 64 10.963 3.837 37.529 514 HA ARG 64 HA ARG 64 10.850 6.637 38.580 515 HB2 ARG 64 HB2 ARG 64 13.152 5.285 37.068 516 HB3 ARG 64 HB1 ARG 64 13.025 7.029 37.265 517 HG2 ARG 64 HG2 ARG 64 13.636 6.953 39.467 518 HG3 ARG 64 HG1 ARG 64 12.724 5.483 39.767 519 HD2 ARG 64 HD2 ARG 64 15.311 5.321 39.864 520 HD3 ARG 64 HD1 ARG 64 14.455 4.090 38.935 521 HE ARG 64 HE ARG 64 15.185 6.358 37.281 522 HH11 ARG 64 HH11 ARG 64 16.197 3.454 38.803 523 HH12 ARG 64 HH12 ARG 64 17.498 3.150 37.700 524 HH21 ARG 64 HH21 ARG 64 16.865 6.053 35.840 525 HH22 ARG 64 HH22 ARG 64 17.885 4.661 35.979 526 H GLY 65 HN GLY 65 10.373 8.183 37.060 527 HA2 GLY 65 HA2 GLY 65 9.938 7.314 34.252 528 HA3 GLY 65 HA1 GLY 65 8.571 7.992 35.133 529 H ARG 66 HN ARG 66 8.586 9.692 33.470 530 HA ARG 66 HA ARG 66 10.282 11.928 34.382 531 HB2 ARG 66 HB2 ARG 66 10.884 12.339 31.832 532 HB3 ARG 66 HB1 ARG 66 11.832 11.183 32.756 533 HG2 ARG 66 HG2 ARG 66 10.213 9.383 31.913 534 HG3 ARG 66 HG1 ARG 66 9.599 10.596 30.796 535 HD2 ARG 66 HD2 ARG 66 11.385 9.206 29.751 536 HD3 ARG 66 HD1 ARG 66 11.867 10.898 29.861 537 HE ARG 66 HE ARG 66 12.733 8.967 31.968 538 HH11 ARG 66 HH11 ARG 66 14.772 9.588 32.731 539 HH12 ARG 66 HH12 ARG 66 15.837 10.460 31.679 540 HH21 ARG 66 HH21 ARG 66 13.414 10.798 29.171 541 HH22 ARG 66 HH22 ARG 66 15.048 11.162 29.612 542 H ILE 67 HN ILE 67 9.470 13.925 33.936 543 HA ILE 67 HA ILE 67 6.671 13.982 32.941 544 HB ILE 67 HB ILE 67 8.395 16.210 34.166 545 HG12 ILE 67 HG12 ILE 67 8.230 14.424 35.772 546 HG13 ILE 67 HG11 ILE 67 7.063 15.655 36.241 547 HG21 ILE 67 HG21 ILE 67 5.736 16.677 34.793 548 HG22 ILE 67 HG22 ILE 67 5.572 15.923 33.212 549 HG23 ILE 67 HG23 ILE 67 6.540 17.382 33.394 550 HD11 ILE 67 HD11 ILE 67 5.387 14.290 34.779 551 HD12 ILE 67 HD12 ILE 67 5.805 13.669 36.367 552 HD13 ILE 67 HD13 ILE 67 6.558 12.986 34.934 553 H THR 68 HN THR 68 6.249 14.558 30.932 554 HA THR 68 HA THR 68 8.112 16.430 29.519 555 HB THR 68 HB THR 68 7.309 15.087 27.404 556 HG1 THR 68 HG1 THR 68 6.124 13.891 29.552 557 HG21 THR 68 HG21 THR 68 9.599 14.647 28.173 558 HG22 THR 68 HG22 THR 68 8.826 13.075 28.054 559 HG23 THR 68 HG23 THR 68 9.014 13.838 29.623 560 H TRP 69 HN TRP 69 5.225 16.216 30.881 561 HA TRP 69 HA TRP 69 4.132 18.340 29.186 562 HB2 TRP 69 HB2 TRP 69 1.943 16.546 29.458 563 HB3 TRP 69 HB1 TRP 69 2.812 16.906 27.971 564 HD1 TRP 69 HD1 TRP 69 4.147 14.893 31.009 565 HE1 TRP 69 HE1 TRP 69 4.858 12.639 30.089 566 HE3 TRP 69 HE3 TRP 69 2.526 15.485 26.384 567 HZ2 TRP 69 HZ2 TRP 69 4.682 11.194 27.457 568 HZ3 TRP 69 HZ3 TRP 69 2.755 13.756 24.657 569 HH2 TRP 69 HH2 TRP 69 3.817 11.609 25.195 570 H ARG 70 HN ARG 70 2.272 19.335 30.189 571 HA ARG 70 HA ARG 70 1.542 18.475 32.821 572 HB2 ARG 70 HB2 ARG 70 2.135 21.026 33.515 573 HB3 ARG 70 HB1 ARG 70 3.289 19.718 33.711 574 HG2 ARG 70 HG2 ARG 70 4.164 20.217 31.411 575 HG3 ARG 70 HG1 ARG 70 3.095 21.614 31.356 576 HD2 ARG 70 HD2 ARG 70 5.490 22.066 32.139 577 HD3 ARG 70 HD1 ARG 70 4.214 22.652 33.202 578 HE ARG 70 HE ARG 70 5.007 19.975 33.937 579 HH11 ARG 70 HH11 ARG 70 6.036 23.243 33.870 580 HH12 ARG 70 HH12 ARG 70 6.909 23.158 35.365 581 HH21 ARG 70 HH21 ARG 70 6.038 19.807 35.912 582 HH22 ARG 70 HH22 ARG 70 6.911 21.161 36.550 583 H LYS 71 HN LYS 71 -0.532 18.352 31.963 584 HA LYS 71 HA LYS 71 -1.964 20.895 32.003 585 HB2 LYS 71 HB2 LYS 71 -1.127 20.508 29.594 586 HB3 LYS 71 HB1 LYS 71 -2.173 19.093 29.548 587 HG2 LYS 71 HG2 LYS 71 -3.588 20.737 28.669 588 HG3 LYS 71 HG1 LYS 71 -4.020 20.788 30.375 589 HD2 LYS 71 HD2 LYS 71 -3.558 23.013 30.216 590 HD3 LYS 71 HD1 LYS 71 -1.873 22.509 30.289 591 HE2 LYS 71 HE2 LYS 71 -1.881 23.783 28.328 592 HE3 LYS 71 HE1 LYS 71 -2.162 22.169 27.689 593 HZ1 LYS 71 HZ1 LYS 71 -3.788 24.420 27.460 594 HZ2 LYS 71 HZ2 LYS 71 -4.627 23.287 28.408 595 HZ3 LYS 71 HZ3 LYS 71 -4.070 22.855 26.861 596 H LYS 72 HN LYS 72 -3.926 20.613 32.874 597 HA LYS 72 HA LYS 72 -4.758 17.902 33.597 598 HB2 LYS 72 HB2 LYS 72 -5.096 20.426 34.713 599 HB3 LYS 72 HB1 LYS 72 -6.682 20.131 34.010 600 HG2 LYS 72 HG2 LYS 72 -6.751 17.920 35.169 601 HG3 LYS 72 HG1 LYS 72 -5.202 18.292 35.921 602 HD2 LYS 72 HD2 LYS 72 -6.290 20.410 36.836 603 HD3 LYS 72 HD1 LYS 72 -7.830 19.756 36.291 604 HE2 LYS 72 HE2 LYS 72 -7.830 18.064 37.872 605 HE3 LYS 72 HE1 LYS 72 -6.075 17.967 37.920 606 HZ1 LYS 72 HZ1 LYS 72 -6.022 19.340 39.632 607 HZ2 LYS 72 HZ2 LYS 72 -7.717 19.262 39.708 608 HZ3 LYS 72 HZ3 LYS 72 -6.963 20.501 38.825 Start of MODEL 4 1 HA MET 1 HA MET 1 -1.285 -4.360 20.670 2 HB2 MET 1 HB2 MET 1 0.087 -2.908 18.348 3 HB3 MET 1 HB1 MET 1 0.250 -4.619 18.729 4 HG2 MET 1 HG2 MET 1 -1.367 -4.400 16.964 5 HG3 MET 1 HG1 MET 1 -2.192 -4.893 18.419 6 HE1 MET 1 HE1 MET 1 -2.925 -2.953 15.341 7 HE2 MET 1 HE2 MET 1 -1.344 -2.411 15.903 8 HE3 MET 1 HE3 MET 1 -2.691 -1.274 15.829 9 H ALA 2 HN ALA 2 1.566 -3.358 19.384 10 HA ALA 2 HA ALA 2 3.648 -2.853 20.328 11 HB1 ALA 2 HB1 ALA 2 3.416 -0.740 21.189 12 HB2 ALA 2 HB2 ALA 2 2.863 -1.437 22.708 13 HB3 ALA 2 HB3 ALA 2 1.698 -1.017 21.456 14 H LYS 3 HN LYS 3 4.924 -3.071 22.424 15 HA LYS 3 HA LYS 3 3.789 -4.672 24.557 16 HB2 LYS 3 HB2 LYS 3 5.423 -6.663 23.910 17 HB3 LYS 3 HB1 LYS 3 3.863 -6.554 23.104 18 HG2 LYS 3 HG2 LYS 3 4.822 -5.606 21.140 19 HG3 LYS 3 HG1 LYS 3 6.333 -5.232 21.963 20 HD2 LYS 3 HD2 LYS 3 6.505 -7.253 20.492 21 HD3 LYS 3 HD1 LYS 3 6.852 -7.611 22.179 22 HE2 LYS 3 HE2 LYS 3 4.007 -7.847 21.309 23 HE3 LYS 3 HE1 LYS 3 5.122 -9.081 20.730 24 HZ1 LYS 3 HZ1 LYS 3 5.501 -9.858 22.812 25 HZ2 LYS 3 HZ2 LYS 3 3.903 -9.317 23.010 26 HZ3 LYS 3 HZ3 LYS 3 5.196 -8.367 23.565 27 H LYS 4 HN LYS 4 5.637 -2.372 23.876 28 HA LYS 4 HA LYS 4 7.512 -2.875 26.056 29 HB2 LYS 4 HB2 LYS 4 9.552 -2.535 24.676 30 HB3 LYS 4 HB1 LYS 4 8.659 -3.924 24.069 31 HG2 LYS 4 HG2 LYS 4 7.560 -2.407 22.387 32 HG3 LYS 4 HG1 LYS 4 8.610 -1.107 22.937 33 HD2 LYS 4 HD2 LYS 4 10.571 -2.708 22.450 34 HD3 LYS 4 HD1 LYS 4 9.401 -3.692 21.578 35 HE2 LYS 4 HE2 LYS 4 10.271 -2.276 19.898 36 HE3 LYS 4 HE1 LYS 4 8.772 -1.481 20.359 37 HZ1 LYS 4 HZ1 LYS 4 11.229 -0.764 21.781 38 HZ2 LYS 4 HZ2 LYS 4 9.864 0.183 21.430 39 HZ3 LYS 4 HZ3 LYS 4 10.995 -0.161 20.211 40 H ASP 5 HN ASP 5 9.369 -0.842 25.237 41 HA ASP 5 HA ASP 5 9.604 1.488 25.183 42 HB2 ASP 5 HB2 ASP 5 7.422 0.975 23.530 43 HB3 ASP 5 HB1 ASP 5 6.727 2.068 24.723 44 H VAL 6 HN VAL 6 8.369 3.513 26.166 45 HA VAL 6 HA VAL 6 7.999 2.832 28.991 46 HB VAL 6 HB VAL 6 7.745 5.396 29.157 47 HG11 VAL 6 HG11 VAL 6 10.098 3.847 28.233 48 HG12 VAL 6 HG12 VAL 6 9.930 4.901 29.634 49 HG13 VAL 6 HG13 VAL 6 10.232 5.591 28.043 50 HG21 VAL 6 HG21 VAL 6 6.951 5.504 26.708 51 HG22 VAL 6 HG22 VAL 6 8.644 5.320 26.266 52 HG23 VAL 6 HG23 VAL 6 8.125 6.718 27.203 53 H ILE 7 HN ILE 7 6.198 3.356 30.244 54 HA ILE 7 HA ILE 7 3.662 3.238 28.709 55 HB ILE 7 HB ILE 7 4.028 3.075 31.737 56 HG12 ILE 7 HG12 ILE 7 5.513 1.403 30.868 57 HG13 ILE 7 HG11 ILE 7 4.040 0.562 31.339 58 HG21 ILE 7 HG21 ILE 7 1.856 2.590 29.740 59 HG22 ILE 7 HG22 ILE 7 1.725 2.992 31.448 60 HG23 ILE 7 HG23 ILE 7 2.017 1.329 30.956 61 HD11 ILE 7 HD11 ILE 7 4.646 -0.257 29.151 62 HD12 ILE 7 HD12 ILE 7 4.877 1.378 28.542 63 HD13 ILE 7 HD13 ILE 7 3.258 0.806 28.931 64 H GLU 8 HN GLU 8 2.960 5.216 28.155 65 HA GLU 8 HA GLU 8 3.461 7.552 29.820 66 HB2 GLU 8 HB2 GLU 8 1.537 8.368 28.044 67 HB3 GLU 8 HB1 GLU 8 3.243 8.269 27.624 68 HG2 GLU 8 HG2 GLU 8 2.952 6.064 26.669 69 HG3 GLU 8 HG1 GLU 8 1.301 5.963 27.278 70 H LEU 9 HN LEU 9 2.409 7.851 31.658 71 HA LEU 9 HA LEU 9 -0.556 7.461 31.665 72 HB2 LEU 9 HB2 LEU 9 1.514 6.476 33.667 73 HB3 LEU 9 HB1 LEU 9 -0.154 6.747 34.160 74 HG LEU 9 HG LEU 9 0.741 4.928 31.895 75 HD11 LEU 9 HD11 LEU 9 -0.434 4.317 34.630 76 HD12 LEU 9 HD12 LEU 9 1.236 4.031 34.151 77 HD13 LEU 9 HD13 LEU 9 -0.068 3.124 33.387 78 HD21 LEU 9 HD21 LEU 9 -1.384 5.468 31.190 79 HD22 LEU 9 HD22 LEU 9 -1.890 5.997 32.791 80 HD23 LEU 9 HD23 LEU 9 -1.843 4.279 32.406 81 H GLU 10 HN GLU 10 -1.609 8.630 33.478 82 HA GLU 10 HA GLU 10 -0.383 11.306 33.697 83 HB2 GLU 10 HB2 GLU 10 -3.123 10.153 34.353 84 HB3 GLU 10 HB1 GLU 10 -2.683 11.797 34.799 85 HG2 GLU 10 HG2 GLU 10 -2.399 12.454 32.526 86 HG3 GLU 10 HG1 GLU 10 -2.355 10.783 31.966 87 H GLY 11 HN GLY 11 0.152 12.336 35.580 88 HA2 GLY 11 HA2 GLY 11 -0.305 10.976 38.159 89 HA3 GLY 11 HA1 GLY 11 1.380 11.091 37.655 90 H THR 12 HN THR 12 -0.044 12.392 39.923 91 HA THR 12 HA THR 12 0.208 15.245 39.090 92 HB THR 12 HB THR 12 -1.129 13.922 41.507 93 HG1 THR 12 HG1 THR 12 -2.623 15.555 40.094 94 HG21 THR 12 HG21 THR 12 -1.990 16.351 41.810 95 HG22 THR 12 HG22 THR 12 -0.697 16.849 40.722 96 HG23 THR 12 HG23 THR 12 -0.310 16.113 42.273 97 H VAL 13 HN VAL 13 1.795 16.490 39.801 98 HA VAL 13 HA VAL 13 4.031 15.293 41.161 99 HB VAL 13 HB VAL 13 3.432 18.287 41.123 100 HG11 VAL 13 HG21 VAL 13 5.425 17.743 42.339 101 HG12 VAL 13 HG22 VAL 13 5.965 18.285 40.753 102 HG13 VAL 13 HG23 VAL 13 5.923 16.565 41.129 103 HG21 VAL 13 HG11 VAL 13 4.160 18.430 38.882 104 HG22 VAL 13 HG12 VAL 13 3.095 17.036 38.868 105 HG23 VAL 13 HG13 VAL 13 4.834 16.805 38.902 106 H SER 14 HN SER 14 4.150 14.715 43.193 107 HA SER 14 HA SER 14 2.368 16.049 45.157 108 HB2 SER 14 HB2 SER 14 3.499 13.362 44.817 109 HB3 SER 14 HB1 SER 14 3.816 13.982 46.449 110 HG SER 14 HG SER 14 1.356 13.740 45.079 111 H GLU 15 HN GLU 15 5.755 15.633 44.382 112 HA GLU 15 HA GLU 15 6.378 17.736 46.366 113 HB2 GLU 15 HB2 GLU 15 6.764 14.997 46.971 114 HB3 GLU 15 HB1 GLU 15 8.364 15.575 46.521 115 HG2 GLU 15 HG2 GLU 15 8.340 17.268 48.205 116 HG3 GLU 15 HG1 GLU 15 6.604 17.098 48.459 117 H ALA 16 HN ALA 16 7.629 19.169 45.386 118 HA ALA 16 HA ALA 16 9.127 18.367 42.967 119 HB1 ALA 16 HB1 ALA 16 7.676 20.497 43.164 120 HB2 ALA 16 HB2 ALA 16 9.303 20.744 42.539 121 HB3 ALA 16 HB3 ALA 16 8.934 21.139 44.214 122 H LEU 17 HN LEU 17 11.028 17.437 43.434 123 HA LEU 17 HA LEU 17 12.648 18.523 45.629 124 HB2 LEU 17 HB2 LEU 17 13.498 16.288 43.797 125 HB3 LEU 17 HB1 LEU 17 13.899 16.519 45.494 126 HG LEU 17 HG LEU 17 11.136 15.906 44.439 127 HD11 LEU 17 HD21 LEU 17 12.602 14.016 46.191 128 HD12 LEU 17 HD22 LEU 17 13.209 14.157 44.544 129 HD13 LEU 17 HD23 LEU 17 11.537 13.680 44.829 130 HD21 LEU 17 HD11 LEU 17 10.770 17.024 46.452 131 HD22 LEU 17 HD12 LEU 17 12.292 16.472 47.145 132 HD23 LEU 17 HD13 LEU 17 10.933 15.361 47.011 133 HA PRO 18 HA PRO 18 15.236 20.998 43.108 134 HB2 PRO 18 HB2 PRO 18 17.701 20.210 44.421 135 HB3 PRO 18 HB1 PRO 18 16.772 21.687 44.684 136 HG2 PRO 18 HG2 PRO 18 16.965 19.353 46.427 137 HG3 PRO 18 HG1 PRO 18 16.135 20.878 46.740 138 HD2 PRO 18 HD1 PRO 18 14.918 18.352 46.160 139 HD3 PRO 18 HD2 PRO 18 14.108 19.922 46.312 140 H ASN 19 HN ASN 19 17.171 20.851 41.699 141 HA ASN 19 HA ASN 19 18.544 19.743 40.167 142 HB2 ASN 19 HB2 ASN 19 18.563 18.036 42.348 143 HB3 ASN 19 HB1 ASN 19 17.892 16.993 41.098 144 HD21 ASN 19 HD21 ASN 19 19.487 18.801 39.085 145 HD22 ASN 19 HD22 ASN 19 21.056 18.160 39.158 146 H ALA 20 HN ALA 20 15.660 20.182 39.843 147 HA ALA 20 HA ALA 20 13.967 19.664 38.328 148 HB1 ALA 20 HB1 ALA 20 16.556 18.832 37.023 149 HB2 ALA 20 HB2 ALA 20 15.397 20.052 36.512 150 HB3 ALA 20 HB3 ALA 20 15.067 18.354 36.230 151 H MET 21 HN MET 21 13.533 18.067 40.271 152 HA MET 21 HA MET 21 12.744 15.548 39.029 153 HB2 MET 21 HB2 MET 21 14.800 14.688 39.827 154 HB3 MET 21 HB1 MET 21 14.864 15.819 41.174 155 HG2 MET 21 HG2 MET 21 13.236 14.630 42.392 156 HG3 MET 21 HG1 MET 21 12.729 13.720 40.996 157 HE1 MET 21 HE1 MET 21 16.056 12.777 40.104 158 HE2 MET 21 HE2 MET 21 14.384 12.422 39.668 159 HE3 MET 21 HE3 MET 21 15.391 11.169 40.392 160 H PHE 22 HN PHE 22 10.856 14.844 39.911 161 HA PHE 22 HA PHE 22 10.021 15.984 42.521 162 HB2 PHE 22 HB2 PHE 22 7.822 15.636 40.570 163 HB3 PHE 22 HB1 PHE 22 8.135 16.979 41.650 164 HD1 PHE 22 HD1 PHE 22 8.179 15.869 38.275 165 HD2 PHE 22 HD2 PHE 22 10.114 18.571 40.947 166 HE1 PHE 22 HE1 PHE 22 8.728 17.340 36.394 167 HE2 PHE 22 HE2 PHE 22 10.658 20.038 39.054 168 HZ PHE 22 HZ PHE 22 9.918 19.435 36.793 169 H LYS 23 HN LYS 23 8.126 14.989 43.426 170 HA LYS 23 HA LYS 23 8.125 12.050 42.931 171 HB2 LYS 23 HB2 LYS 23 8.626 13.233 45.276 172 HB3 LYS 23 HB1 LYS 23 6.880 13.441 45.335 173 HG2 LYS 23 HG2 LYS 23 6.824 10.884 44.728 174 HG3 LYS 23 HG1 LYS 23 8.482 10.891 45.325 175 HD2 LYS 23 HD2 LYS 23 6.986 12.362 47.224 176 HD3 LYS 23 HD1 LYS 23 6.001 10.956 46.837 177 HE2 LYS 23 HE2 LYS 23 7.419 10.202 48.581 178 HE3 LYS 23 HE1 LYS 23 8.184 9.591 47.118 179 HZ1 LYS 23 HZ1 LYS 23 9.175 12.145 47.532 180 HZ2 LYS 23 HZ2 LYS 23 10.001 10.671 47.703 181 HZ3 LYS 23 HZ3 LYS 23 9.219 11.367 49.041 182 H VAL 24 HN VAL 24 6.488 11.552 41.577 183 HA VAL 24 HA VAL 24 4.010 13.178 41.691 184 HB VAL 24 HB VAL 24 5.066 11.122 39.728 185 HG11 VAL 24 HG11 VAL 24 2.883 10.769 39.205 186 HG12 VAL 24 HG12 VAL 24 2.919 12.393 38.526 187 HG13 VAL 24 HG13 VAL 24 2.348 12.138 40.171 188 HG21 VAL 24 HG21 VAL 24 5.846 13.656 39.957 189 HG22 VAL 24 HG22 VAL 24 4.353 13.954 39.072 190 HG23 VAL 24 HG23 VAL 24 5.598 12.929 38.377 191 H LYS 25 HN LYS 25 2.041 12.382 42.100 192 HA LYS 25 HA LYS 25 1.998 9.622 43.255 193 HB2 LYS 25 HB2 LYS 25 0.543 10.401 44.914 194 HB3 LYS 25 HB1 LYS 25 1.422 11.888 44.596 195 HG2 LYS 25 HG2 LYS 25 -0.352 12.510 42.942 196 HG3 LYS 25 HG1 LYS 25 -1.263 11.091 43.437 197 HD2 LYS 25 HD2 LYS 25 -1.381 11.934 45.730 198 HD3 LYS 25 HD1 LYS 25 -0.362 13.306 45.305 199 HE2 LYS 25 HE2 LYS 25 -2.979 12.746 43.890 200 HE3 LYS 25 HE1 LYS 25 -2.894 13.742 45.339 201 HZ1 LYS 25 HZ1 LYS 25 -1.005 14.385 43.226 202 HZ2 LYS 25 HZ2 LYS 25 -1.891 15.414 44.247 203 HZ3 LYS 25 HZ3 LYS 25 -2.638 14.713 42.892 204 H LEU 26 HN LEU 26 0.835 8.156 42.266 205 HA LEU 26 HA LEU 26 -0.807 8.898 39.999 206 HB2 LEU 26 HB2 LEU 26 -0.120 6.239 41.318 207 HB3 LEU 26 HB1 LEU 26 -1.060 6.377 39.834 208 HG LEU 26 HG LEU 26 1.038 7.968 39.221 209 HD11 LEU 26 HD21 LEU 26 2.370 5.704 40.663 210 HD12 LEU 26 HD22 LEU 26 1.983 7.185 41.528 211 HD13 LEU 26 HD23 LEU 26 3.053 7.237 40.132 212 HD21 LEU 26 HD11 LEU 26 0.108 6.033 37.926 213 HD22 LEU 26 HD12 LEU 26 1.029 4.945 38.961 214 HD23 LEU 26 HD13 LEU 26 1.867 6.077 37.906 215 H GLU 27 HN GLU 27 -2.912 7.576 39.787 216 HA GLU 27 HA GLU 27 -4.675 8.541 41.873 217 HB2 GLU 27 HB2 GLU 27 -4.900 7.202 39.220 218 HB3 GLU 27 HB1 GLU 27 -6.197 6.808 40.342 219 HG2 GLU 27 HG2 GLU 27 -5.397 9.682 40.124 220 HG3 GLU 27 HG1 GLU 27 -6.308 8.988 38.784 221 H ASN 28 HN ASN 28 -3.127 5.511 41.137 222 HA ASN 28 HA ASN 28 -4.861 3.830 42.686 223 HB2 ASN 28 HB2 ASN 28 -2.859 3.283 40.991 224 HB3 ASN 28 HB1 ASN 28 -1.900 3.273 42.466 225 HD21 ASN 28 HD21 ASN 28 -3.500 2.100 44.343 226 HD22 ASN 28 HD22 ASN 28 -3.981 0.545 43.861 227 H GLY 29 HN GLY 29 -2.553 6.185 43.581 228 HA2 GLY 29 HA2 GLY 29 -2.567 6.943 45.933 229 HA3 GLY 29 HA1 GLY 29 -2.752 5.267 46.423 230 H HIS 30 HN HIS 30 -0.625 4.849 44.084 231 HA HIS 30 HA HIS 30 1.625 4.868 45.982 232 HB2 HIS 30 HB2 HIS 30 1.586 4.107 43.025 233 HB3 HIS 30 HB1 HIS 30 2.802 3.643 44.214 234 HD1 HIS 30 HD1 HIS 30 -0.438 2.697 43.031 235 HD2 HIS 30 HD2 HIS 30 1.830 1.852 46.274 236 HE1 HIS 30 HE1 HIS 30 -1.527 0.808 44.058 237 H GLU 31 HN GLU 31 3.812 5.536 44.979 238 HA GLU 31 HA GLU 31 3.525 8.105 43.542 239 HB2 GLU 31 HB2 GLU 31 5.305 7.594 45.963 240 HB3 GLU 31 HB1 GLU 31 5.160 9.121 45.100 241 HG2 GLU 31 HG2 GLU 31 2.902 9.430 45.811 242 HG3 GLU 31 HG1 GLU 31 2.755 7.753 46.328 243 H ILE 32 HN ILE 32 5.335 8.769 42.323 244 HA ILE 32 HA ILE 32 7.510 6.763 42.066 245 HB ILE 32 HB ILE 32 5.944 7.866 39.757 246 HG12 ILE 32 HG12 ILE 32 5.971 5.050 40.842 247 HG13 ILE 32 HG11 ILE 32 4.681 6.206 41.137 248 HG21 ILE 32 HG21 ILE 32 7.273 6.278 38.419 249 HG22 ILE 32 HG22 ILE 32 8.029 5.655 39.878 250 HG23 ILE 32 HG23 ILE 32 8.376 7.292 39.340 251 HD11 ILE 32 HD11 ILE 32 5.507 4.944 38.533 252 HD12 ILE 32 HD12 ILE 32 4.609 6.455 38.548 253 HD13 ILE 32 HD13 ILE 32 3.908 5.005 39.257 254 H LEU 33 HN LEU 33 9.407 7.556 41.022 255 HA LEU 33 HA LEU 33 9.706 10.435 41.476 256 HB2 LEU 33 HB2 LEU 33 11.791 8.413 40.531 257 HB3 LEU 33 HB1 LEU 33 12.102 9.985 41.255 258 HG LEU 33 HG LEU 33 10.784 9.095 43.304 259 HD11 LEU 33 HD21 LEU 33 11.320 6.451 43.299 260 HD12 LEU 33 HD22 LEU 33 11.028 6.675 41.581 261 HD13 LEU 33 HD23 LEU 33 9.779 7.095 42.744 262 HD21 LEU 33 HD11 LEU 33 12.834 7.859 44.124 263 HD22 LEU 33 HD12 LEU 33 13.178 9.438 43.424 264 HD23 LEU 33 HD13 LEU 33 13.484 7.976 42.491 265 H CYS 34 HN CYS 34 9.891 11.919 39.895 266 HA CYS 34 HA CYS 34 10.164 10.906 37.100 267 HB2 CYS 34 HB2 CYS 34 8.276 13.090 38.048 268 HB3 CYS 34 HB1 CYS 34 8.442 12.527 36.406 269 HG CYS 34 HG1 CYS 34 6.993 10.555 36.896 270 H HIS 35 HN HIS 35 11.408 12.100 35.780 271 HA HIS 35 HA HIS 35 12.701 14.512 37.004 272 HB2 HIS 35 HB2 HIS 35 13.826 12.202 35.899 273 HB3 HIS 35 HB1 HIS 35 13.903 13.329 34.550 274 HD1 HIS 35 HD1 HIS 35 15.491 12.630 37.674 275 HD2 HIS 35 HD2 HIS 35 15.324 15.809 35.162 276 HE1 HIS 35 HE1 HIS 35 17.329 14.050 38.359 277 H ILE 36 HN ILE 36 13.517 16.068 35.283 278 HA ILE 36 HA ILE 36 11.234 16.715 33.521 279 HB ILE 36 HB ILE 36 13.591 18.229 34.651 280 HG12 ILE 36 HG12 ILE 36 10.689 19.026 34.676 281 HG13 ILE 36 HG11 ILE 36 11.298 17.831 35.817 282 HG21 ILE 36 HG21 ILE 36 11.679 19.061 32.428 283 HG22 ILE 36 HG22 ILE 36 13.432 19.030 32.353 284 HG23 ILE 36 HG23 ILE 36 12.610 20.225 33.351 285 HD11 ILE 36 HD11 ILE 36 11.533 20.677 35.984 286 HD12 ILE 36 HD12 ILE 36 13.154 20.039 35.739 287 HD13 ILE 36 HD13 ILE 36 12.183 19.476 37.095 288 H SER 37 HN SER 37 11.764 17.756 31.424 289 HA SER 37 HA SER 37 14.175 16.598 30.149 290 HB2 SER 37 HB2 SER 37 11.362 16.732 28.946 291 HB3 SER 37 HB1 SER 37 12.794 16.037 28.162 292 HG SER 37 HG SER 37 12.846 14.922 30.428 293 H GLY 38 HN GLY 38 15.376 18.189 29.411 294 HA2 GLY 38 HA2 GLY 38 14.808 20.894 29.303 295 HA3 GLY 38 HA1 GLY 38 15.956 20.134 28.206 296 H LYS 39 HN LYS 39 13.461 18.486 27.303 297 HA LYS 39 HA LYS 39 12.919 20.162 25.030 298 HB2 LYS 39 HB2 LYS 39 11.812 17.516 26.031 299 HB3 LYS 39 HB1 LYS 39 11.153 18.286 24.593 300 HG2 LYS 39 HG2 LYS 39 13.774 18.446 23.982 301 HG3 LYS 39 HG1 LYS 39 13.824 17.020 25.012 302 HD2 LYS 39 HD2 LYS 39 12.002 17.402 22.611 303 HD3 LYS 39 HD1 LYS 39 13.441 16.388 22.652 304 HE2 LYS 39 HE2 LYS 39 12.367 15.135 24.591 305 HE3 LYS 39 HE1 LYS 39 10.888 16.026 24.248 306 HZ1 LYS 39 HZ1 LYS 39 10.804 13.943 23.130 307 HZ2 LYS 39 HZ2 LYS 39 12.327 14.189 22.418 308 HZ3 LYS 39 HZ3 LYS 39 11.006 15.155 21.957 309 H LEU 40 HN LEU 40 10.693 18.841 27.471 310 HA LEU 40 HA LEU 40 8.507 20.442 26.731 311 HB2 LEU 40 HB2 LEU 40 7.550 19.787 28.803 312 HB3 LEU 40 HB1 LEU 40 8.746 18.526 28.551 313 HG LEU 40 HG LEU 40 10.293 20.350 29.822 314 HD11 LEU 40 HD11 LEU 40 8.653 22.014 30.305 315 HD12 LEU 40 HD12 LEU 40 8.789 21.102 31.799 316 HD13 LEU 40 HD13 LEU 40 7.433 20.815 30.716 317 HD21 LEU 40 HD21 LEU 40 10.208 18.114 30.601 318 HD22 LEU 40 HD22 LEU 40 8.472 18.198 30.893 319 HD23 LEU 40 HD23 LEU 40 9.581 19.055 31.951 320 H ARG 41 HN ARG 41 11.442 21.308 28.265 321 HA ARG 41 HA ARG 41 10.406 23.699 29.520 322 HB2 ARG 41 HB2 ARG 41 12.478 23.043 30.461 323 HB3 ARG 41 HB1 ARG 41 13.139 22.546 28.912 324 HG2 ARG 41 HG2 ARG 41 13.750 24.699 28.316 325 HG3 ARG 41 HG1 ARG 41 12.466 25.437 29.258 326 HD2 ARG 41 HD2 ARG 41 13.802 24.514 31.325 327 HD3 ARG 41 HD1 ARG 41 15.147 24.445 30.190 328 HE ARG 41 HE ARG 41 13.636 26.969 30.768 329 HH11 ARG 41 HH11 ARG 41 15.507 26.779 28.408 330 HH12 ARG 41 HH12 ARG 41 16.970 27.439 29.060 331 HH21 ARG 41 HH21 ARG 41 15.875 27.118 32.374 332 HH22 ARG 41 HH22 ARG 41 17.186 27.631 31.364 333 H MET 42 HN MET 42 11.958 22.844 26.491 334 HA MET 42 HA MET 42 12.214 25.498 25.495 335 HB2 MET 42 HB2 MET 42 13.371 23.619 24.407 336 HB3 MET 42 HB1 MET 42 11.842 22.812 24.080 337 HG2 MET 42 HG2 MET 42 12.942 24.143 22.165 338 HG3 MET 42 HG1 MET 42 11.230 24.335 22.435 339 HE1 MET 42 HE1 MET 42 14.254 26.169 21.382 340 HE2 MET 42 HE2 MET 42 14.706 25.630 22.998 341 HE3 MET 42 HE3 MET 42 14.571 27.353 22.650 342 H ASN 43 HN ASN 43 9.530 23.270 25.717 343 HA ASN 43 HA ASN 43 7.865 24.755 23.821 344 HB2 ASN 43 HB2 ASN 43 7.221 22.631 25.930 345 HB3 ASN 43 HB1 ASN 43 6.044 23.254 24.777 346 HD21 ASN 43 HD21 ASN 43 7.772 20.576 25.198 347 HD22 ASN 43 HD22 ASN 43 8.203 20.197 23.601 348 H PHE 44 HN PHE 44 9.024 25.670 26.687 349 HA PHE 44 HA PHE 44 8.356 27.200 28.329 350 HB2 PHE 44 HB2 PHE 44 7.969 28.549 26.215 351 HB3 PHE 44 HB1 PHE 44 6.306 27.973 26.190 352 HD1 PHE 44 HD1 PHE 44 4.688 29.329 27.209 353 HD2 PHE 44 HD2 PHE 44 8.709 29.554 28.606 354 HE1 PHE 44 HE1 PHE 44 4.051 31.112 28.771 355 HE2 PHE 44 HE2 PHE 44 8.060 31.336 30.168 356 HZ PHE 44 HZ PHE 44 5.735 32.116 30.247 357 H ILE 45 HN ILE 45 7.518 25.896 29.911 358 HA ILE 45 HA ILE 45 4.569 25.813 30.048 359 HB ILE 45 HB ILE 45 6.483 23.476 30.441 360 HG12 ILE 45 HG12 ILE 45 3.952 23.538 28.800 361 HG13 ILE 45 HG11 ILE 45 5.468 24.136 28.138 362 HG21 ILE 45 HG21 ILE 45 3.533 23.815 31.192 363 HG22 ILE 45 HG22 ILE 45 4.861 23.433 32.284 364 HG23 ILE 45 HG23 ILE 45 4.326 22.246 31.099 365 HD11 ILE 45 HD11 ILE 45 6.493 21.897 28.909 366 HD12 ILE 45 HD12 ILE 45 5.406 21.831 27.525 367 HD13 ILE 45 HD13 ILE 45 4.833 21.343 29.117 368 H ARG 46 HN ARG 46 4.075 26.905 31.829 369 HA ARG 46 HA ARG 46 5.868 27.453 33.959 370 HB2 ARG 46 HB2 ARG 46 2.809 27.368 33.930 371 HB3 ARG 46 HB1 ARG 46 3.768 28.118 35.201 372 HG2 ARG 46 HG2 ARG 46 4.829 29.576 33.427 373 HG3 ARG 46 HG1 ARG 46 3.668 28.923 32.277 374 HD2 ARG 46 HD2 ARG 46 1.851 29.644 33.962 375 HD3 ARG 46 HD1 ARG 46 3.117 30.592 34.739 376 HE ARG 46 HE ARG 46 3.309 31.365 32.105 377 HH11 ARG 46 HH11 ARG 46 2.369 33.316 34.024 378 HH12 ARG 46 HH12 ARG 46 0.736 33.631 33.543 379 HH21 ARG 46 HH21 ARG 46 0.534 30.716 31.606 380 HH22 ARG 46 HH22 ARG 46 -0.332 32.119 32.139 381 H ILE 47 HN ILE 47 6.346 26.419 35.830 382 HA ILE 47 HA ILE 47 5.200 23.683 36.161 383 HB ILE 47 HB ILE 47 7.642 24.945 37.481 384 HG12 ILE 47 HG12 ILE 47 8.165 24.842 35.168 385 HG13 ILE 47 HG11 ILE 47 8.843 23.363 35.839 386 HG21 ILE 47 HG21 ILE 47 7.007 23.064 38.798 387 HG22 ILE 47 HG22 ILE 47 8.098 22.319 37.636 388 HG23 ILE 47 HG23 ILE 47 6.355 22.192 37.413 389 HD11 ILE 47 HD11 ILE 47 7.666 22.659 33.890 390 HD12 ILE 47 HD12 ILE 47 6.287 23.691 34.257 391 HD13 ILE 47 HD13 ILE 47 6.596 22.257 35.228 392 H LEU 48 HN LEU 48 4.470 22.958 38.142 393 HA LEU 48 HA LEU 48 4.389 24.696 40.468 394 HB2 LEU 48 HB2 LEU 48 2.450 25.224 38.570 395 HB3 LEU 48 HB1 LEU 48 1.628 24.019 39.555 396 HG LEU 48 HG LEU 48 2.396 25.416 41.588 397 HD11 LEU 48 HD11 LEU 48 4.003 26.901 40.726 398 HD12 LEU 48 HD12 LEU 48 2.566 27.917 40.791 399 HD13 LEU 48 HD13 LEU 48 3.075 27.208 39.262 400 HD21 LEU 48 HD21 LEU 48 0.488 27.016 41.266 401 HD22 LEU 48 HD22 LEU 48 0.060 25.358 40.853 402 HD23 LEU 48 HD23 LEU 48 0.403 26.523 39.579 403 H GLU 49 HN GLU 49 4.140 23.466 42.255 404 HA GLU 49 HA GLU 49 4.087 20.655 42.059 405 HB2 GLU 49 HB2 GLU 49 3.681 20.815 44.594 406 HB3 GLU 49 HB1 GLU 49 5.084 21.709 44.018 407 HG2 GLU 49 HG2 GLU 49 3.942 23.253 45.423 408 HG3 GLU 49 HG1 GLU 49 3.468 23.724 43.794 409 H GLY 50 HN GLY 50 2.460 19.172 42.702 410 HA2 GLY 50 HA2 GLY 50 0.234 18.448 43.004 411 HA3 GLY 50 HA1 GLY 50 -0.230 20.130 43.271 412 H ASP 51 HN ASP 51 1.454 20.400 40.567 413 HA ASP 51 HA ASP 51 -0.903 20.581 38.904 414 HB2 ASP 51 HB2 ASP 51 1.116 22.049 38.624 415 HB3 ASP 51 HB1 ASP 51 2.056 20.640 38.142 416 H LYS 52 HN LYS 52 -1.705 19.108 37.535 417 HA LYS 52 HA LYS 52 -0.628 16.473 37.609 418 HB2 LYS 52 HB2 LYS 52 -2.865 17.586 35.874 419 HB3 LYS 52 HB1 LYS 52 -2.576 15.881 36.209 420 HG2 LYS 52 HG2 LYS 52 -2.760 16.573 38.712 421 HG3 LYS 52 HG1 LYS 52 -3.520 18.034 38.098 422 HD2 LYS 52 HD2 LYS 52 -5.219 16.685 36.933 423 HD3 LYS 52 HD1 LYS 52 -4.439 15.206 37.481 424 HE2 LYS 52 HE2 LYS 52 -4.810 15.944 39.851 425 HE3 LYS 52 HE1 LYS 52 -5.698 17.337 39.246 426 HZ1 LYS 52 HZ1 LYS 52 -7.490 16.078 39.183 427 HZ2 LYS 52 HZ2 LYS 52 -6.605 14.704 39.644 428 HZ3 LYS 52 HZ3 LYS 52 -6.762 15.102 38.001 429 H VAL 53 HN VAL 53 0.331 15.312 36.136 430 HA VAL 53 HA VAL 53 0.913 16.574 33.513 431 HB VAL 53 HB VAL 53 3.325 16.279 33.890 432 HG11 VAL 53 HG21 VAL 53 2.113 17.642 36.287 433 HG12 VAL 53 HG22 VAL 53 2.184 18.368 34.685 434 HG13 VAL 53 HG23 VAL 53 3.671 17.998 35.548 435 HG21 VAL 53 HG11 VAL 53 4.162 15.559 36.101 436 HG22 VAL 53 HG12 VAL 53 3.201 14.296 35.338 437 HG23 VAL 53 HG13 VAL 53 2.503 15.282 36.615 438 H ASN 54 HN ASN 54 2.196 15.056 32.114 439 HA ASN 54 HA ASN 54 1.083 12.336 32.475 440 HB2 ASN 54 HB2 ASN 54 1.871 14.037 30.217 441 HB3 ASN 54 HB1 ASN 54 2.633 12.453 30.097 442 HD21 ASN 54 HD21 ASN 54 1.364 11.155 28.789 443 HD22 ASN 54 HD22 ASN 54 -0.330 11.064 28.845 444 H VAL 55 HN VAL 55 2.281 10.840 33.417 445 HA VAL 55 HA VAL 55 5.216 11.232 33.543 446 HB VAL 55 HB VAL 55 3.422 9.365 35.151 447 HG11 VAL 55 HG11 VAL 55 6.304 10.249 35.417 448 HG12 VAL 55 HG12 VAL 55 5.705 8.609 35.204 449 HG13 VAL 55 HG13 VAL 55 5.422 9.459 36.721 450 HG21 VAL 55 HG21 VAL 55 4.447 12.159 35.728 451 HG22 VAL 55 HG22 VAL 55 3.777 11.100 36.964 452 HG23 VAL 55 HG23 VAL 55 2.766 11.646 35.628 453 H GLU 56 HN GLU 56 6.365 10.111 32.152 454 HA GLU 56 HA GLU 56 5.285 7.569 31.073 455 HB2 GLU 56 HB2 GLU 56 7.744 7.960 29.870 456 HB3 GLU 56 HB1 GLU 56 6.241 8.628 29.241 457 HG2 GLU 56 HG2 GLU 56 6.608 10.715 30.407 458 HG3 GLU 56 HG1 GLU 56 7.998 10.043 31.252 459 H LEU 57 HN LEU 57 5.843 5.742 32.030 460 HA LEU 57 HA LEU 57 8.170 5.731 33.863 461 HB2 LEU 57 HB2 LEU 57 6.095 3.559 33.270 462 HB3 LEU 57 HB1 LEU 57 7.213 3.583 34.631 463 HG LEU 57 HG LEU 57 5.343 5.910 34.184 464 HD11 LEU 57 HD11 LEU 57 4.702 3.266 35.541 465 HD12 LEU 57 HD12 LEU 57 3.857 3.983 34.171 466 HD13 LEU 57 HD13 LEU 57 3.755 4.734 35.761 467 HD21 LEU 57 HD21 LEU 57 5.607 6.096 36.630 468 HD22 LEU 57 HD22 LEU 57 7.182 6.061 35.845 469 HD23 LEU 57 HD23 LEU 57 6.567 4.621 36.648 470 H SER 58 HN SER 58 9.707 3.946 33.822 471 HA SER 58 HA SER 58 10.419 3.283 31.033 472 HB2 SER 58 HB2 SER 58 11.940 2.996 33.665 473 HB3 SER 58 HB1 SER 58 12.622 2.607 32.074 474 HG SER 58 HG SER 58 11.325 5.062 32.579 475 HA PRO 59 HA PRO 59 9.035 -0.915 31.423 476 HB2 PRO 59 HB2 PRO 59 10.775 -1.955 29.416 477 HB3 PRO 59 HB1 PRO 59 9.135 -1.357 29.160 478 HG2 PRO 59 HG2 PRO 59 11.690 -0.082 28.437 479 HG3 PRO 59 HG1 PRO 59 10.060 0.346 27.918 480 HD2 PRO 59 HD1 PRO 59 11.664 1.752 29.811 481 HD3 PRO 59 HD2 PRO 59 9.959 2.032 29.436 482 H TYR 60 HN TYR 60 12.384 -0.051 31.659 483 HA TYR 60 HA TYR 60 13.181 -2.682 32.538 484 HB2 TYR 60 HB2 TYR 60 14.545 -0.122 31.814 485 HB3 TYR 60 HB1 TYR 60 15.353 -1.106 33.032 486 HD1 TYR 60 HD1 TYR 60 13.239 -2.530 30.351 487 HD2 TYR 60 HD2 TYR 60 17.226 -1.767 31.630 488 HE1 TYR 60 HE1 TYR 60 14.088 -4.015 28.594 489 HE2 TYR 60 HE2 TYR 60 18.072 -3.248 29.870 490 HH TYR 60 HH TYR 60 17.539 -4.748 28.311 491 H ASP 61 HN ASP 61 12.269 0.379 33.737 492 HA ASP 61 HA ASP 61 12.305 -0.725 36.435 493 HB2 ASP 61 HB2 ASP 61 13.289 1.895 36.811 494 HB3 ASP 61 HB1 ASP 61 14.231 0.417 36.963 495 H LEU 62 HN LEU 62 10.061 -0.658 36.271 496 HA LEU 62 HA LEU 62 8.666 1.769 35.587 497 HB2 LEU 62 HB2 LEU 62 7.702 -0.681 37.134 498 HB3 LEU 62 HB1 LEU 62 6.663 0.533 36.395 499 HG LEU 62 HG LEU 62 8.699 -0.717 34.620 500 HD11 LEU 62 HD21 LEU 62 7.959 -2.702 35.779 501 HD12 LEU 62 HD22 LEU 62 7.112 -2.656 34.237 502 HD13 LEU 62 HD23 LEU 62 6.280 -2.179 35.713 503 HD21 LEU 62 HD11 LEU 62 6.832 -0.549 33.021 504 HD22 LEU 62 HD12 LEU 62 7.057 0.988 33.852 505 HD23 LEU 62 HD13 LEU 62 5.742 -0.085 34.324 506 H THR 63 HN THR 63 10.691 1.674 37.780 507 HA THR 63 HA THR 63 9.033 2.573 40.072 508 HB THR 63 HB THR 63 11.434 2.649 41.164 509 HG1 THR 63 HG1 THR 63 12.996 2.010 39.866 510 HG21 THR 63 HG21 THR 63 11.060 -0.112 40.036 511 HG22 THR 63 HG22 THR 63 9.671 0.526 40.909 512 HG23 THR 63 HG23 THR 63 11.226 0.369 41.722 513 H ARG 64 HN ARG 64 10.740 3.778 37.424 514 HA ARG 64 HA ARG 64 10.599 6.535 38.583 515 HB2 ARG 64 HB2 ARG 64 12.932 5.276 37.039 516 HB3 ARG 64 HB1 ARG 64 12.803 6.996 37.382 517 HG2 ARG 64 HG2 ARG 64 13.265 6.722 39.624 518 HG3 ARG 64 HG1 ARG 64 12.496 5.141 39.696 519 HD2 ARG 64 HD2 ARG 64 15.121 5.297 39.824 520 HD3 ARG 64 HD1 ARG 64 14.383 4.037 38.835 521 HE ARG 64 HE ARG 64 14.651 5.979 36.987 522 HH11 ARG 64 HH11 ARG 64 16.704 3.780 38.153 523 HH12 ARG 64 HH12 ARG 64 18.175 4.665 37.919 524 HH21 ARG 64 HH21 ARG 64 16.496 7.668 37.247 525 HH22 ARG 64 HH22 ARG 64 18.054 6.927 37.397 526 H GLY 65 HN GLY 65 10.274 8.153 37.086 527 HA2 GLY 65 HA2 GLY 65 9.889 7.398 34.246 528 HA3 GLY 65 HA1 GLY 65 8.487 8.025 35.113 529 H ARG 66 HN ARG 66 8.443 9.851 33.704 530 HA ARG 66 HA ARG 66 10.034 12.061 34.749 531 HB2 ARG 66 HB2 ARG 66 10.984 12.603 32.380 532 HB3 ARG 66 HB1 ARG 66 11.771 11.312 33.277 533 HG2 ARG 66 HG2 ARG 66 10.077 9.743 32.046 534 HG3 ARG 66 HG1 ARG 66 9.871 11.101 30.950 535 HD2 ARG 66 HD2 ARG 66 12.095 11.013 30.205 536 HD3 ARG 66 HD1 ARG 66 12.647 10.163 31.647 537 HE ARG 66 HE ARG 66 10.764 8.677 29.933 538 HH11 ARG 66 HH11 ARG 66 11.585 6.769 29.127 539 HH12 ARG 66 HH12 ARG 66 13.278 6.428 29.257 540 HH21 ARG 66 HH21 ARG 66 13.969 9.448 30.893 541 HH22 ARG 66 HH22 ARG 66 14.663 7.986 30.281 542 H ILE 67 HN ILE 67 9.277 14.067 34.175 543 HA ILE 67 HA ILE 67 6.563 14.052 32.957 544 HB ILE 67 HB ILE 67 8.138 16.378 34.186 545 HG12 ILE 67 HG12 ILE 67 8.054 14.638 35.859 546 HG13 ILE 67 HG11 ILE 67 6.831 15.835 36.269 547 HG21 ILE 67 HG21 ILE 67 5.361 15.879 33.200 548 HG22 ILE 67 HG22 ILE 67 6.236 17.401 33.330 549 HG23 ILE 67 HG23 ILE 67 5.450 16.711 34.746 550 HD11 ILE 67 HD11 ILE 67 5.552 13.916 36.447 551 HD12 ILE 67 HD12 ILE 67 6.488 13.051 35.237 552 HD13 ILE 67 HD13 ILE 67 5.308 14.258 34.742 553 H THR 68 HN THR 68 6.392 14.442 30.860 554 HA THR 68 HA THR 68 8.248 16.432 29.611 555 HB THR 68 HB THR 68 8.066 14.973 27.500 556 HG1 THR 68 HG1 THR 68 7.372 12.776 28.843 557 HG21 THR 68 HG21 THR 68 9.547 13.161 28.334 558 HG22 THR 68 HG22 THR 68 9.001 13.430 29.986 559 HG23 THR 68 HG23 THR 68 9.991 14.638 29.178 560 H TRP 69 HN TRP 69 5.201 16.065 30.560 561 HA TRP 69 HA TRP 69 4.217 18.033 28.670 562 HB2 TRP 69 HB2 TRP 69 2.291 16.110 28.149 563 HB3 TRP 69 HB1 TRP 69 3.656 16.439 27.084 564 HD1 TRP 69 HD1 TRP 69 4.073 14.689 30.501 565 HE1 TRP 69 HE1 TRP 69 4.998 12.387 30.007 566 HE3 TRP 69 HE3 TRP 69 3.644 14.839 25.603 567 HZ2 TRP 69 HZ2 TRP 69 5.459 10.699 27.552 568 HZ3 TRP 69 HZ3 TRP 69 4.288 12.972 24.143 569 HH2 TRP 69 HH2 TRP 69 5.192 10.902 25.115 570 H ARG 70 HN ARG 70 2.754 19.215 29.749 571 HA ARG 70 HA ARG 70 1.736 18.384 32.268 572 HB2 ARG 70 HB2 ARG 70 2.219 20.796 31.475 573 HB3 ARG 70 HB1 ARG 70 0.709 20.694 30.575 574 HG2 ARG 70 HG2 ARG 70 0.476 19.812 33.378 575 HG3 ARG 70 HG1 ARG 70 0.926 21.505 33.208 576 HD2 ARG 70 HD2 ARG 70 -1.402 20.220 31.744 577 HD3 ARG 70 HD1 ARG 70 -1.565 21.138 33.237 578 HE ARG 70 HE ARG 70 -0.169 22.809 31.468 579 HH11 ARG 70 HH11 ARG 70 -1.156 23.425 29.398 580 HH12 ARG 70 HH12 ARG 70 -2.881 23.586 29.399 581 HH21 ARG 70 HH21 ARG 70 -3.231 21.996 32.502 582 HH22 ARG 70 HH22 ARG 70 -4.087 22.753 31.202 583 H LYS 71 HN LYS 71 -0.595 18.337 32.812 584 HA LYS 71 HA LYS 71 -2.034 16.376 31.505 585 HB2 LYS 71 HB2 LYS 71 -2.647 17.560 33.687 586 HB3 LYS 71 HB1 LYS 71 -3.315 18.870 32.722 587 HG2 LYS 71 HG2 LYS 71 -5.212 17.700 32.334 588 HG3 LYS 71 HG1 LYS 71 -4.295 16.311 31.763 589 HD2 LYS 71 HD2 LYS 71 -3.869 15.680 34.159 590 HD3 LYS 71 HD1 LYS 71 -4.931 16.993 34.654 591 HE2 LYS 71 HE2 LYS 71 -6.823 15.985 33.550 592 HE3 LYS 71 HE1 LYS 71 -5.801 14.797 32.752 593 HZ1 LYS 71 HZ1 LYS 71 -5.574 13.577 34.640 594 HZ2 LYS 71 HZ2 LYS 71 -7.123 14.217 34.915 595 HZ3 LYS 71 HZ3 LYS 71 -5.772 14.908 35.677 596 H LYS 72 HN LYS 72 -3.244 16.179 29.718 597 HA LYS 72 HA LYS 72 -3.211 18.399 27.795 598 HB2 LYS 72 HB2 LYS 72 -2.824 15.998 27.108 599 HB3 LYS 72 HB1 LYS 72 -4.469 15.612 27.601 600 HG2 LYS 72 HG2 LYS 72 -4.748 16.015 25.310 601 HG3 LYS 72 HG1 LYS 72 -5.121 17.592 25.993 602 HD2 LYS 72 HD2 LYS 72 -2.934 18.436 25.481 603 HD3 LYS 72 HD1 LYS 72 -2.329 16.826 25.106 604 HE2 LYS 72 HE2 LYS 72 -4.700 17.701 23.547 605 HE3 LYS 72 HE1 LYS 72 -3.205 18.569 23.211 606 HZ1 LYS 72 HZ1 LYS 72 -2.177 16.253 23.059 607 HZ2 LYS 72 HZ2 LYS 72 -3.149 16.783 21.770 608 HZ3 LYS 72 HZ3 LYS 72 -3.773 15.692 22.914 Start of MODEL 5 1 HA MET 1 HA MET 1 -4.830 -0.021 25.134 2 HB2 MET 1 HB2 MET 1 -4.847 -2.089 26.949 3 HB3 MET 1 HB1 MET 1 -3.878 -0.913 27.829 4 HG2 MET 1 HG2 MET 1 -6.577 -0.361 26.585 5 HG3 MET 1 HG1 MET 1 -6.326 -0.724 28.272 6 HE1 MET 1 HE1 MET 1 -7.579 2.892 28.303 7 HE2 MET 1 HE2 MET 1 -7.712 1.298 29.046 8 HE3 MET 1 HE3 MET 1 -8.060 1.503 27.330 9 H ALA 2 HN ALA 2 -1.718 -0.945 26.584 10 HA ALA 2 HA ALA 2 -0.565 1.625 25.951 11 HB1 ALA 2 HB1 ALA 2 -1.837 2.473 27.822 12 HB2 ALA 2 HB2 ALA 2 -0.217 2.214 28.461 13 HB3 ALA 2 HB3 ALA 2 -1.492 1.049 28.799 14 H LYS 3 HN LYS 3 0.933 0.072 25.097 15 HA LYS 3 HA LYS 3 3.112 -0.448 26.944 16 HB2 LYS 3 HB2 LYS 3 1.549 -2.387 27.398 17 HB3 LYS 3 HB1 LYS 3 1.652 -2.834 25.699 18 HG2 LYS 3 HG2 LYS 3 4.024 -3.265 25.879 19 HG3 LYS 3 HG1 LYS 3 4.078 -2.582 27.500 20 HD2 LYS 3 HD2 LYS 3 2.544 -4.382 28.286 21 HD3 LYS 3 HD1 LYS 3 2.562 -5.081 26.671 22 HE2 LYS 3 HE2 LYS 3 4.753 -4.977 28.718 23 HE3 LYS 3 HE1 LYS 3 4.263 -6.311 27.683 24 HZ1 LYS 3 HZ1 LYS 3 5.095 -4.818 25.797 25 HZ2 LYS 3 HZ2 LYS 3 6.241 -5.614 26.763 26 HZ3 LYS 3 HZ3 LYS 3 5.915 -3.966 27.017 27 H LYS 4 HN LYS 4 4.378 0.666 25.473 28 HA LYS 4 HA LYS 4 5.145 -0.916 23.101 29 HB2 LYS 4 HB2 LYS 4 3.293 0.995 22.667 30 HB3 LYS 4 HB1 LYS 4 4.706 2.043 22.679 31 HG2 LYS 4 HG2 LYS 4 5.631 1.043 20.773 32 HG3 LYS 4 HG1 LYS 4 4.778 -0.473 21.027 33 HD2 LYS 4 HD2 LYS 4 2.648 0.596 20.423 34 HD3 LYS 4 HD1 LYS 4 3.467 2.141 20.217 35 HE2 LYS 4 HE2 LYS 4 4.317 1.551 18.184 36 HE3 LYS 4 HE1 LYS 4 4.694 -0.083 18.713 37 HZ1 LYS 4 HZ1 LYS 4 2.066 -0.232 18.671 38 HZ2 LYS 4 HZ2 LYS 4 3.023 -0.558 17.307 39 HZ3 LYS 4 HZ3 LYS 4 2.275 0.957 17.477 40 H ASP 5 HN ASP 5 6.447 1.674 22.135 41 HA ASP 5 HA ASP 5 9.042 1.210 23.010 42 HB2 ASP 5 HB2 ASP 5 8.505 2.743 21.133 43 HB3 ASP 5 HB1 ASP 5 7.780 3.886 22.261 44 H VAL 6 HN VAL 6 6.539 2.360 24.834 45 HA VAL 6 HA VAL 6 8.105 2.568 27.213 46 HB VAL 6 HB VAL 6 8.522 4.805 25.713 47 HG11 VAL 6 HG11 VAL 6 6.010 5.251 25.715 48 HG12 VAL 6 HG12 VAL 6 7.007 6.591 26.272 49 HG13 VAL 6 HG13 VAL 6 6.153 5.584 27.437 50 HG21 VAL 6 HG21 VAL 6 9.466 4.230 27.980 51 HG22 VAL 6 HG22 VAL 6 8.022 4.936 28.702 52 HG23 VAL 6 HG23 VAL 6 9.124 5.944 27.771 53 H ILE 7 HN ILE 7 6.760 3.808 28.994 54 HA ILE 7 HA ILE 7 3.881 3.071 28.552 55 HB ILE 7 HB ILE 7 5.753 2.803 30.930 56 HG12 ILE 7 HG12 ILE 7 4.673 0.553 31.005 57 HG13 ILE 7 HG11 ILE 7 3.719 0.987 29.590 58 HG21 ILE 7 HG21 ILE 7 3.877 3.903 31.961 59 HG22 ILE 7 HG22 ILE 7 3.507 2.195 32.166 60 HG23 ILE 7 HG23 ILE 7 2.719 3.120 30.892 61 HD11 ILE 7 HD11 ILE 7 5.537 0.889 28.168 62 HD12 ILE 7 HD12 ILE 7 6.087 -0.268 29.376 63 HD13 ILE 7 HD13 ILE 7 6.672 1.392 29.416 64 H GLU 8 HN GLU 8 2.775 4.879 28.272 65 HA GLU 8 HA GLU 8 3.550 7.309 29.808 66 HB2 GLU 8 HB2 GLU 8 1.400 7.171 27.666 67 HB3 GLU 8 HB1 GLU 8 2.409 8.543 28.117 68 HG2 GLU 8 HG2 GLU 8 4.393 7.415 27.187 69 HG3 GLU 8 HG1 GLU 8 3.418 6.004 26.785 70 H LEU 9 HN LEU 9 2.397 7.943 31.497 71 HA LEU 9 HA LEU 9 -0.482 7.228 31.647 72 HB2 LEU 9 HB2 LEU 9 1.687 6.455 33.643 73 HB3 LEU 9 HB1 LEU 9 0.004 6.598 34.143 74 HG LEU 9 HG LEU 9 1.004 4.835 31.877 75 HD11 LEU 9 HD11 LEU 9 -0.016 4.097 34.642 76 HD12 LEU 9 HD12 LEU 9 1.675 4.052 34.154 77 HD13 LEU 9 HD13 LEU 9 0.511 2.971 33.395 78 HD21 LEU 9 HD21 LEU 9 -1.678 5.633 32.900 79 HD22 LEU 9 HD22 LEU 9 -1.469 3.931 32.501 80 HD23 LEU 9 HD23 LEU 9 -1.193 5.163 31.273 81 H GLU 10 HN GLU 10 -1.620 8.439 33.314 82 HA GLU 10 HA GLU 10 -0.522 11.166 33.517 83 HB2 GLU 10 HB2 GLU 10 -3.200 9.993 34.403 84 HB3 GLU 10 HB1 GLU 10 -2.810 11.708 34.356 85 HG2 GLU 10 HG2 GLU 10 -2.434 11.558 31.913 86 HG3 GLU 10 HG1 GLU 10 -2.822 9.839 31.961 87 H GLY 11 HN GLY 11 -0.052 12.247 35.423 88 HA2 GLY 11 HA2 GLY 11 -0.484 10.812 37.979 89 HA3 GLY 11 HA1 GLY 11 1.196 11.101 37.525 90 H THR 12 HN THR 12 0.298 12.207 39.842 91 HA THR 12 HA THR 12 0.028 15.097 39.105 92 HB THR 12 HB THR 12 -1.141 13.613 41.534 93 HG1 THR 12 HG1 THR 12 -2.734 13.454 40.176 94 HG21 THR 12 HG21 THR 12 -2.373 15.932 41.684 95 HG22 THR 12 HG22 THR 12 -1.085 16.550 40.655 96 HG23 THR 12 HG23 THR 12 -0.709 15.910 42.253 97 H VAL 13 HN VAL 13 1.558 16.405 39.826 98 HA VAL 13 HA VAL 13 3.811 15.293 41.258 99 HB VAL 13 HB VAL 13 3.194 18.263 41.075 100 HG11 VAL 13 HG21 VAL 13 5.684 16.542 41.096 101 HG12 VAL 13 HG22 VAL 13 5.202 17.740 42.292 102 HG13 VAL 13 HG23 VAL 13 5.719 18.256 40.689 103 HG21 VAL 13 HG11 VAL 13 4.012 18.306 38.822 104 HG22 VAL 13 HG12 VAL 13 2.792 17.042 38.865 105 HG23 VAL 13 HG13 VAL 13 4.494 16.614 38.898 106 H SER 14 HN SER 14 4.277 15.196 43.333 107 HA SER 14 HA SER 14 2.319 16.439 45.219 108 HB2 SER 14 HB2 SER 14 2.213 14.044 45.477 109 HB3 SER 14 HB1 SER 14 3.976 13.878 45.362 110 HG SER 14 HG SER 14 4.072 14.290 47.412 111 H GLU 15 HN GLU 15 5.745 16.108 44.464 112 HA GLU 15 HA GLU 15 6.239 18.270 46.425 113 HB2 GLU 15 HB2 GLU 15 6.617 15.600 47.194 114 HB3 GLU 15 HB1 GLU 15 8.237 16.122 46.742 115 HG2 GLU 15 HG2 GLU 15 6.395 17.587 48.668 116 HG3 GLU 15 HG1 GLU 15 7.782 16.603 49.132 117 H ALA 16 HN ALA 16 8.336 19.223 46.273 118 HA ALA 16 HA ALA 16 9.455 18.962 43.534 119 HB1 ALA 16 HB1 ALA 16 10.563 21.181 44.152 120 HB2 ALA 16 HB2 ALA 16 9.703 21.112 45.688 121 HB3 ALA 16 HB3 ALA 16 8.803 21.238 44.181 122 H LEU 17 HN LEU 17 11.142 17.667 43.343 123 HA LEU 17 HA LEU 17 12.997 17.393 45.650 124 HB2 LEU 17 HB2 LEU 17 12.704 15.693 43.136 125 HB3 LEU 17 HB1 LEU 17 13.727 15.307 44.514 126 HG LEU 17 HG LEU 17 10.715 15.665 44.659 127 HD11 LEU 17 HD21 LEU 17 12.420 13.149 44.656 128 HD12 LEU 17 HD22 LEU 17 11.351 13.660 43.353 129 HD13 LEU 17 HD23 LEU 17 10.678 13.198 44.913 130 HD21 LEU 17 HD11 LEU 17 12.895 15.018 46.621 131 HD22 LEU 17 HD12 LEU 17 11.289 14.343 46.868 132 HD23 LEU 17 HD13 LEU 17 11.511 16.089 46.815 133 HA PRO 18 HA PRO 18 16.120 19.655 43.524 134 HB2 PRO 18 HB2 PRO 18 18.323 18.127 44.546 135 HB3 PRO 18 HB1 PRO 18 17.681 19.624 45.223 136 HG2 PRO 18 HG2 PRO 18 17.388 16.885 46.244 137 HG3 PRO 18 HG1 PRO 18 16.963 18.403 47.038 138 HD2 PRO 18 HD1 PRO 18 15.153 16.505 45.912 139 HD3 PRO 18 HD2 PRO 18 14.762 18.123 46.524 140 H ASN 19 HN ASN 19 18.066 19.282 42.126 141 HA ASN 19 HA ASN 19 19.182 18.195 40.389 142 HB2 ASN 19 HB2 ASN 19 17.734 15.602 40.854 143 HB3 ASN 19 HB1 ASN 19 19.436 15.876 40.513 144 HD21 ASN 19 HD21 ASN 19 20.125 17.701 42.545 145 HD22 ASN 19 HD22 ASN 19 19.932 16.958 44.059 146 H ALA 20 HN ALA 20 16.496 19.406 40.160 147 HA ALA 20 HA ALA 20 14.877 19.693 38.496 148 HB1 ALA 20 HB1 ALA 20 16.596 17.892 36.750 149 HB2 ALA 20 HB2 ALA 20 17.113 19.523 37.151 150 HB3 ALA 20 HB3 ALA 20 15.620 19.266 36.255 151 H MET 21 HN MET 21 13.828 18.026 40.105 152 HA MET 21 HA MET 21 12.317 16.206 38.467 153 HB2 MET 21 HB2 MET 21 12.973 14.228 40.091 154 HB3 MET 21 HB1 MET 21 14.076 14.611 38.776 155 HG2 MET 21 HG2 MET 21 15.339 16.091 40.341 156 HG3 MET 21 HG1 MET 21 14.291 15.574 41.631 157 HE1 MET 21 HE1 MET 21 14.372 13.411 42.873 158 HE2 MET 21 HE2 MET 21 15.200 11.963 42.301 159 HE3 MET 21 HE3 MET 21 13.875 12.649 41.363 160 H PHE 22 HN PHE 22 10.781 14.973 39.935 161 HA PHE 22 HA PHE 22 10.398 16.192 42.555 162 HB2 PHE 22 HB2 PHE 22 7.851 16.500 41.312 163 HB3 PHE 22 HB1 PHE 22 8.918 17.771 41.856 164 HD1 PHE 22 HD1 PHE 22 9.079 15.373 38.958 165 HD2 PHE 22 HD2 PHE 22 9.128 19.426 40.257 166 HE1 PHE 22 HE1 PHE 22 9.211 16.137 36.625 167 HE2 PHE 22 HE2 PHE 22 9.270 20.174 37.932 168 HZ PHE 22 HZ PHE 22 9.266 18.536 36.122 169 H LYS 23 HN LYS 23 8.485 15.367 43.652 170 HA LYS 23 HA LYS 23 8.233 12.483 43.127 171 HB2 LYS 23 HB2 LYS 23 8.452 13.978 45.431 172 HB3 LYS 23 HB1 LYS 23 6.702 13.811 45.339 173 HG2 LYS 23 HG2 LYS 23 7.067 11.313 45.020 174 HG3 LYS 23 HG1 LYS 23 8.760 11.588 45.417 175 HD2 LYS 23 HD2 LYS 23 6.563 12.602 47.227 176 HD3 LYS 23 HD1 LYS 23 7.143 10.946 47.355 177 HE2 LYS 23 HE2 LYS 23 8.933 13.394 47.484 178 HE3 LYS 23 HE1 LYS 23 8.343 12.524 48.892 179 HZ1 LYS 23 HZ1 LYS 23 10.205 11.587 46.805 180 HZ2 LYS 23 HZ2 LYS 23 9.379 10.493 47.807 181 HZ3 LYS 23 HZ3 LYS 23 10.433 11.639 48.488 182 H VAL 24 HN VAL 24 6.458 11.557 42.293 183 HA VAL 24 HA VAL 24 3.996 13.248 42.014 184 HB VAL 24 HB VAL 24 5.526 11.603 39.998 185 HG11 VAL 24 HG11 VAL 24 3.246 11.735 38.657 186 HG12 VAL 24 HG12 VAL 24 2.533 11.727 40.267 187 HG13 VAL 24 HG13 VAL 24 3.544 10.383 39.743 188 HG21 VAL 24 HG21 VAL 24 5.131 13.465 38.595 189 HG22 VAL 24 HG22 VAL 24 5.367 14.193 40.180 190 HG23 VAL 24 HG23 VAL 24 3.742 13.988 39.530 191 H LYS 25 HN LYS 25 2.082 12.277 42.309 192 HA LYS 25 HA LYS 25 2.157 9.395 43.171 193 HB2 LYS 25 HB2 LYS 25 0.533 11.734 44.292 194 HB3 LYS 25 HB1 LYS 25 0.288 10.056 44.757 195 HG2 LYS 25 HG2 LYS 25 2.670 9.943 45.493 196 HG3 LYS 25 HG1 LYS 25 2.847 11.652 45.105 197 HD2 LYS 25 HD2 LYS 25 1.164 12.261 46.750 198 HD3 LYS 25 HD1 LYS 25 0.775 10.569 47.042 199 HE2 LYS 25 HE2 LYS 25 2.360 10.536 48.649 200 HE3 LYS 25 HE1 LYS 25 3.574 10.794 47.402 201 HZ1 LYS 25 HZ1 LYS 25 2.757 13.260 47.671 202 HZ2 LYS 25 HZ2 LYS 25 3.948 12.601 48.685 203 HZ3 LYS 25 HZ3 LYS 25 2.341 12.712 49.224 204 H LEU 26 HN LEU 26 0.893 8.146 41.989 205 HA LEU 26 HA LEU 26 -0.839 9.262 39.986 206 HB2 LEU 26 HB2 LEU 26 -0.581 6.391 40.976 207 HB3 LEU 26 HB1 LEU 26 -1.313 6.891 39.454 208 HG LEU 26 HG LEU 26 1.576 7.237 40.285 209 HD11 LEU 26 HD21 LEU 26 0.860 4.996 39.390 210 HD12 LEU 26 HD22 LEU 26 2.037 5.808 38.362 211 HD13 LEU 26 HD23 LEU 26 0.333 5.804 37.918 212 HD21 LEU 26 HD11 LEU 26 -0.055 8.467 38.100 213 HD22 LEU 26 HD12 LEU 26 1.644 8.122 37.816 214 HD23 LEU 26 HD13 LEU 26 1.173 9.211 39.116 215 H GLU 27 HN GLU 27 -3.113 8.294 39.762 216 HA GLU 27 HA GLU 27 -4.767 9.379 41.754 217 HB2 GLU 27 HB2 GLU 27 -5.133 8.031 39.300 218 HB3 GLU 27 HB1 GLU 27 -5.982 7.023 40.469 219 HG2 GLU 27 HG2 GLU 27 -7.116 9.114 41.328 220 HG3 GLU 27 HG1 GLU 27 -6.388 9.994 39.986 221 H ASN 28 HN ASN 28 -3.603 6.054 41.400 222 HA ASN 28 HA ASN 28 -5.103 5.084 43.682 223 HB2 ASN 28 HB2 ASN 28 -3.678 3.895 41.636 224 HB3 ASN 28 HB1 ASN 28 -2.554 3.722 42.976 225 HD21 ASN 28 HD21 ASN 28 -4.032 3.159 45.159 226 HD22 ASN 28 HD22 ASN 28 -5.034 1.809 44.923 227 H GLY 29 HN GLY 29 -2.306 6.963 43.326 228 HA2 GLY 29 HA2 GLY 29 -1.357 8.074 45.282 229 HA3 GLY 29 HA1 GLY 29 -1.729 6.642 46.233 230 H HIS 30 HN HIS 30 -0.560 5.489 43.369 231 HA HIS 30 HA HIS 30 1.841 4.488 44.474 232 HB2 HIS 30 HB2 HIS 30 1.084 5.075 41.576 233 HB3 HIS 30 HB1 HIS 30 2.518 4.155 42.037 234 HD1 HIS 30 HD1 HIS 30 -1.049 3.845 41.782 235 HD2 HIS 30 HD2 HIS 30 1.972 1.660 43.358 236 HE1 HIS 30 HE1 HIS 30 -2.024 1.696 42.232 237 H GLU 31 HN GLU 31 3.297 5.794 45.367 238 HA GLU 31 HA GLU 31 3.968 8.382 44.251 239 HB2 GLU 31 HB2 GLU 31 4.117 7.918 46.693 240 HB3 GLU 31 HB1 GLU 31 5.307 6.657 46.399 241 HG2 GLU 31 HG2 GLU 31 6.740 8.482 45.287 242 HG3 GLU 31 HG1 GLU 31 5.627 9.640 46.007 243 H ILE 32 HN ILE 32 5.374 8.750 42.655 244 HA ILE 32 HA ILE 32 7.614 6.842 42.254 245 HB ILE 32 HB ILE 32 5.987 7.988 40.021 246 HG12 ILE 32 HG12 ILE 32 5.819 5.250 41.284 247 HG13 ILE 32 HG11 ILE 32 4.575 6.493 41.353 248 HG21 ILE 32 HG21 ILE 32 7.160 6.208 38.718 249 HG22 ILE 32 HG22 ILE 32 7.986 5.699 40.184 250 HG23 ILE 32 HG23 ILE 32 8.320 7.284 39.492 251 HD11 ILE 32 HD11 ILE 32 5.470 4.838 39.010 252 HD12 ILE 32 HD12 ILE 32 4.788 6.435 38.723 253 HD13 ILE 32 HD13 ILE 32 3.835 5.206 39.547 254 H LEU 33 HN LEU 33 9.443 7.682 41.218 255 HA LEU 33 HA LEU 33 9.680 10.585 41.598 256 HB2 LEU 33 HB2 LEU 33 11.649 8.323 41.034 257 HB3 LEU 33 HB1 LEU 33 12.148 10.011 41.022 258 HG LEU 33 HG LEU 33 11.450 10.293 43.336 259 HD11 LEU 33 HD21 LEU 33 9.479 8.977 43.507 260 HD12 LEU 33 HD22 LEU 33 10.636 8.144 44.540 261 HD13 LEU 33 HD23 LEU 33 10.293 7.529 42.925 262 HD21 LEU 33 HD11 LEU 33 13.059 7.778 42.815 263 HD22 LEU 33 HD12 LEU 33 12.871 8.467 44.424 264 HD23 LEU 33 HD13 LEU 33 13.672 9.393 43.157 265 H CYS 34 HN CYS 34 9.785 12.003 39.959 266 HA CYS 34 HA CYS 34 10.122 10.882 37.207 267 HB2 CYS 34 HB2 CYS 34 8.380 12.563 36.499 268 HB3 CYS 34 HB1 CYS 34 7.767 11.273 37.497 269 HG CYS 34 HG1 CYS 34 8.039 13.283 39.460 270 H HIS 35 HN HIS 35 11.461 11.996 35.926 271 HA HIS 35 HA HIS 35 12.595 14.531 37.058 272 HB2 HIS 35 HB2 HIS 35 14.043 12.437 36.398 273 HB3 HIS 35 HB1 HIS 35 13.740 12.921 34.733 274 HD1 HIS 35 HD1 HIS 35 14.539 15.384 34.237 275 HD2 HIS 35 HD2 HIS 35 16.023 13.855 37.683 276 HE1 HIS 35 HE1 HIS 35 16.404 16.823 34.792 277 H ILE 36 HN ILE 36 13.481 15.983 35.208 278 HA ILE 36 HA ILE 36 11.179 16.540 33.446 279 HB ILE 36 HB ILE 36 13.496 18.146 34.539 280 HG12 ILE 36 HG12 ILE 36 10.574 18.863 34.416 281 HG13 ILE 36 HG11 ILE 36 11.183 17.745 35.638 282 HG21 ILE 36 HG21 ILE 36 13.419 18.863 32.218 283 HG22 ILE 36 HG22 ILE 36 12.453 20.048 33.092 284 HG23 ILE 36 HG23 ILE 36 11.666 18.771 32.179 285 HD11 ILE 36 HD11 ILE 36 12.943 19.519 36.196 286 HD12 ILE 36 HD12 ILE 36 11.289 19.931 36.635 287 HD13 ILE 36 HD13 ILE 36 12.017 20.627 35.191 288 H SER 37 HN SER 37 11.574 17.321 31.289 289 HA SER 37 HA SER 37 13.977 16.095 30.048 290 HB2 SER 37 HB2 SER 37 12.307 15.895 28.003 291 HB3 SER 37 HB1 SER 37 12.093 14.750 29.341 292 HG SER 37 HG SER 37 10.689 17.132 28.778 293 H GLY 38 HN GLY 38 13.744 17.021 27.525 294 HA2 GLY 38 HA2 GLY 38 14.488 19.827 27.860 295 HA3 GLY 38 HA1 GLY 38 14.556 18.917 26.360 296 H LYS 39 HN LYS 39 11.542 18.315 27.416 297 HA LYS 39 HA LYS 39 10.369 20.129 25.513 298 HB2 LYS 39 HB2 LYS 39 9.325 18.110 27.499 299 HB3 LYS 39 HB1 LYS 39 8.194 19.195 26.702 300 HG2 LYS 39 HG2 LYS 39 10.199 17.836 24.964 301 HG3 LYS 39 HG1 LYS 39 8.919 16.830 25.630 302 HD2 LYS 39 HD2 LYS 39 8.050 19.448 24.530 303 HD3 LYS 39 HD1 LYS 39 8.637 18.285 23.347 304 HE2 LYS 39 HE2 LYS 39 7.034 16.632 24.057 305 HE3 LYS 39 HE1 LYS 39 6.588 17.583 25.467 306 HZ1 LYS 39 HZ1 LYS 39 5.907 18.014 22.645 307 HZ2 LYS 39 HZ2 LYS 39 5.977 19.347 23.696 308 HZ3 LYS 39 HZ3 LYS 39 4.907 18.068 24.018 309 H LEU 40 HN LEU 40 9.697 19.792 28.981 310 HA LEU 40 HA LEU 40 8.292 22.230 29.201 311 HB2 LEU 40 HB2 LEU 40 10.167 21.072 31.324 312 HB3 LEU 40 HB1 LEU 40 8.695 22.002 31.597 313 HG LEU 40 HG LEU 40 7.828 19.909 30.003 314 HD11 LEU 40 HD11 LEU 40 8.821 17.925 30.670 315 HD12 LEU 40 HD12 LEU 40 9.473 18.618 32.145 316 HD13 LEU 40 HD13 LEU 40 10.210 18.991 30.590 317 HD21 LEU 40 HD21 LEU 40 6.629 19.203 31.965 318 HD22 LEU 40 HD22 LEU 40 6.841 20.942 32.136 319 HD23 LEU 40 HD23 LEU 40 7.877 19.838 33.034 320 H ARG 41 HN ARG 41 11.572 21.536 28.773 321 HA ARG 41 HA ARG 41 12.617 24.012 29.800 322 HB2 ARG 41 HB2 ARG 41 13.629 21.568 28.868 323 HB3 ARG 41 HB1 ARG 41 14.133 22.714 27.631 324 HG2 ARG 41 HG2 ARG 41 15.860 22.773 29.228 325 HG3 ARG 41 HG1 ARG 41 14.895 24.196 29.580 326 HD2 ARG 41 HD2 ARG 41 13.821 23.120 31.437 327 HD3 ARG 41 HD1 ARG 41 14.458 21.543 30.972 328 HE ARG 41 HE ARG 41 16.375 23.694 31.717 329 HH11 ARG 41 HH11 ARG 41 15.676 22.999 34.253 330 HH12 ARG 41 HH12 ARG 41 16.417 21.473 34.602 331 HH21 ARG 41 HH21 ARG 41 16.965 20.739 31.219 332 HH22 ARG 41 HH22 ARG 41 17.166 20.160 32.839 333 H MET 42 HN MET 42 11.471 22.823 26.724 334 HA MET 42 HA MET 42 12.310 25.137 25.223 335 HB2 MET 42 HB2 MET 42 11.811 22.797 24.296 336 HB3 MET 42 HB1 MET 42 10.103 23.139 24.548 337 HG2 MET 42 HG2 MET 42 10.755 25.360 23.226 338 HG3 MET 42 HG1 MET 42 12.020 24.337 22.602 339 HE1 MET 42 HE1 MET 42 8.402 22.567 23.235 340 HE2 MET 42 HE2 MET 42 7.542 23.724 22.219 341 HE3 MET 42 HE3 MET 42 8.479 24.289 23.601 342 H ASN 43 HN ASN 43 9.415 24.197 26.983 343 HA ASN 43 HA ASN 43 7.992 26.601 25.967 344 HB2 ASN 43 HB2 ASN 43 7.037 24.137 26.440 345 HB3 ASN 43 HB1 ASN 43 6.872 24.753 28.077 346 HD21 ASN 43 HD21 ASN 43 6.418 26.382 24.896 347 HD22 ASN 43 HD22 ASN 43 4.820 26.871 25.202 348 H PHE 44 HN PHE 44 10.198 25.994 28.281 349 HA PHE 44 HA PHE 44 10.593 26.804 30.485 350 HB2 PHE 44 HB2 PHE 44 10.798 29.319 30.340 351 HB3 PHE 44 HB1 PHE 44 11.495 28.515 28.939 352 HD1 PHE 44 HD1 PHE 44 9.971 28.259 26.848 353 HD2 PHE 44 HD2 PHE 44 9.114 30.951 30.040 354 HE1 PHE 44 HE1 PHE 44 8.487 29.545 25.372 355 HE2 PHE 44 HE2 PHE 44 7.632 32.229 28.557 356 HZ PHE 44 HZ PHE 44 7.324 31.532 26.224 357 H ILE 45 HN ILE 45 8.550 25.816 31.306 358 HA ILE 45 HA ILE 45 6.489 27.831 31.976 359 HB ILE 45 HB ILE 45 6.495 24.803 32.349 360 HG12 ILE 45 HG12 ILE 45 4.926 26.347 30.288 361 HG13 ILE 45 HG11 ILE 45 6.563 25.798 29.957 362 HG21 ILE 45 HG21 ILE 45 4.355 26.976 32.590 363 HG22 ILE 45 HG22 ILE 45 4.904 25.890 33.860 364 HG23 ILE 45 HG23 ILE 45 3.966 25.260 32.513 365 HD11 ILE 45 HD11 ILE 45 4.143 24.109 30.643 366 HD12 ILE 45 HD12 ILE 45 5.781 23.472 30.717 367 HD13 ILE 45 HD13 ILE 45 5.124 24.039 29.185 368 H ARG 46 HN ARG 46 5.569 27.657 34.211 369 HA ARG 46 HA ARG 46 7.507 26.725 36.218 370 HB2 ARG 46 HB2 ARG 46 7.270 28.989 37.404 371 HB3 ARG 46 HB1 ARG 46 8.187 29.044 35.906 372 HG2 ARG 46 HG2 ARG 46 5.669 29.465 34.952 373 HG3 ARG 46 HG1 ARG 46 5.534 30.210 36.540 374 HD2 ARG 46 HD2 ARG 46 7.857 31.301 35.907 375 HD3 ARG 46 HD1 ARG 46 7.355 30.941 34.256 376 HE ARG 46 HE ARG 46 5.193 32.241 35.588 377 HH11 ARG 46 HH11 ARG 46 6.816 34.170 36.720 378 HH12 ARG 46 HH12 ARG 46 7.276 35.250 35.445 379 HH21 ARG 46 HH21 ARG 46 6.436 32.960 32.927 380 HH22 ARG 46 HH22 ARG 46 7.055 34.546 33.242 381 H ILE 47 HN ILE 47 5.801 25.175 36.501 382 HA ILE 47 HA ILE 47 3.374 26.245 37.863 383 HB ILE 47 HB ILE 47 4.069 23.587 36.553 384 HG12 ILE 47 HG12 ILE 47 3.188 25.704 35.298 385 HG13 ILE 47 HG11 ILE 47 2.432 24.151 34.970 386 HG21 ILE 47 HG21 ILE 47 2.820 23.038 38.588 387 HG22 ILE 47 HG22 ILE 47 1.687 22.946 37.245 388 HG23 ILE 47 HG23 ILE 47 1.681 24.350 38.306 389 HD11 ILE 47 HD11 ILE 47 1.374 26.116 37.029 390 HD12 ILE 47 HD12 ILE 47 0.576 24.662 36.445 391 HD13 ILE 47 HD13 ILE 47 0.792 26.038 35.372 392 H LEU 48 HN LEU 48 2.715 25.390 39.874 393 HA LEU 48 HA LEU 48 5.005 24.376 41.488 394 HB2 LEU 48 HB2 LEU 48 2.512 25.956 42.029 395 HB3 LEU 48 HB1 LEU 48 3.094 24.924 43.332 396 HG LEU 48 HG LEU 48 5.348 25.972 43.115 397 HD11 LEU 48 HD11 LEU 48 3.938 27.293 40.842 398 HD12 LEU 48 HD12 LEU 48 5.629 26.827 40.990 399 HD13 LEU 48 HD13 LEU 48 5.049 28.294 41.772 400 HD21 LEU 48 HD21 LEU 48 4.754 28.029 44.219 401 HD22 LEU 48 HD22 LEU 48 3.513 26.857 44.652 402 HD23 LEU 48 HD23 LEU 48 3.184 28.075 43.423 403 H GLU 49 HN GLU 49 4.700 22.735 43.034 404 HA GLU 49 HA GLU 49 3.743 20.334 42.210 405 HB2 GLU 49 HB2 GLU 49 3.796 21.488 45.031 406 HB3 GLU 49 HB1 GLU 49 3.505 19.783 44.705 407 HG2 GLU 49 HG2 GLU 49 5.868 20.018 45.135 408 HG3 GLU 49 HG1 GLU 49 5.692 19.774 43.399 409 H GLY 50 HN GLY 50 1.889 19.056 42.628 410 HA2 GLY 50 HA2 GLY 50 -0.409 18.771 43.348 411 HA3 GLY 50 HA1 GLY 50 -0.558 20.521 43.474 412 H ASP 51 HN ASP 51 1.060 20.133 40.725 413 HA ASP 51 HA ASP 51 -1.385 20.412 39.121 414 HB2 ASP 51 HB2 ASP 51 0.550 21.994 38.843 415 HB3 ASP 51 HB1 ASP 51 1.559 20.639 38.334 416 H LYS 52 HN LYS 52 -1.984 19.002 37.502 417 HA LYS 52 HA LYS 52 -0.854 16.370 37.679 418 HB2 LYS 52 HB2 LYS 52 -3.093 17.499 35.961 419 HB3 LYS 52 HB1 LYS 52 -2.670 15.793 36.015 420 HG2 LYS 52 HG2 LYS 52 -3.065 15.849 38.508 421 HG3 LYS 52 HG1 LYS 52 -3.665 17.494 38.323 422 HD2 LYS 52 HD2 LYS 52 -5.692 16.550 37.930 423 HD3 LYS 52 HD1 LYS 52 -5.046 16.099 36.357 424 HE2 LYS 52 HE2 LYS 52 -4.826 14.408 38.871 425 HE3 LYS 52 HE1 LYS 52 -5.993 14.142 37.582 426 HZ1 LYS 52 HZ1 LYS 52 -3.280 14.354 36.661 427 HZ2 LYS 52 HZ2 LYS 52 -4.468 13.196 36.295 428 HZ3 LYS 52 HZ3 LYS 52 -3.540 13.042 37.708 429 H VAL 53 HN VAL 53 0.133 15.198 36.165 430 HA VAL 53 HA VAL 53 0.842 16.562 33.624 431 HB VAL 53 HB VAL 53 3.231 16.202 34.093 432 HG11 VAL 53 HG21 VAL 53 2.079 18.283 34.915 433 HG12 VAL 53 HG22 VAL 53 3.528 17.861 35.819 434 HG13 VAL 53 HG23 VAL 53 1.940 17.501 36.487 435 HG21 VAL 53 HG11 VAL 53 3.037 14.171 35.447 436 HG22 VAL 53 HG12 VAL 53 2.244 15.089 36.723 437 HG23 VAL 53 HG13 VAL 53 3.935 15.395 36.339 438 H ASN 54 HN ASN 54 2.106 15.080 32.182 439 HA ASN 54 HA ASN 54 0.970 12.351 32.473 440 HB2 ASN 54 HB2 ASN 54 1.789 14.100 30.243 441 HB3 ASN 54 HB1 ASN 54 2.447 12.475 30.077 442 HD21 ASN 54 HD21 ASN 54 0.003 14.091 28.860 443 HD22 ASN 54 HD22 ASN 54 -1.248 12.945 28.912 444 H VAL 55 HN VAL 55 2.181 10.774 33.262 445 HA VAL 55 HA VAL 55 5.098 11.218 33.477 446 HB VAL 55 HB VAL 55 3.267 9.249 34.902 447 HG11 VAL 55 HG11 VAL 55 6.117 10.045 35.562 448 HG12 VAL 55 HG12 VAL 55 5.700 8.585 34.671 449 HG13 VAL 55 HG13 VAL 55 5.160 8.785 36.335 450 HG21 VAL 55 HG21 VAL 55 4.619 11.631 36.147 451 HG22 VAL 55 HG22 VAL 55 3.201 10.750 36.704 452 HG23 VAL 55 HG23 VAL 55 3.079 11.826 35.317 453 H GLU 56 HN GLU 56 6.450 10.113 32.310 454 HA GLU 56 HA GLU 56 5.456 7.737 30.822 455 HB2 GLU 56 HB2 GLU 56 6.837 9.880 29.880 456 HB3 GLU 56 HB1 GLU 56 8.208 8.905 30.401 457 HG2 GLU 56 HG2 GLU 56 7.535 7.064 28.993 458 HG3 GLU 56 HG1 GLU 56 5.984 7.824 28.646 459 H LEU 57 HN LEU 57 5.841 5.863 31.799 460 HA LEU 57 HA LEU 57 8.083 5.680 33.727 461 HB2 LEU 57 HB2 LEU 57 5.961 3.618 32.948 462 HB3 LEU 57 HB1 LEU 57 7.041 3.511 34.331 463 HG LEU 57 HG LEU 57 5.103 5.811 33.924 464 HD11 LEU 57 HD11 LEU 57 3.625 4.680 35.507 465 HD12 LEU 57 HD12 LEU 57 4.768 3.350 35.675 466 HD13 LEU 57 HD13 LEU 57 3.925 3.600 34.148 467 HD21 LEU 57 HD21 LEU 57 7.081 4.960 35.987 468 HD22 LEU 57 HD22 LEU 57 5.558 5.612 36.585 469 HD23 LEU 57 HD23 LEU 57 6.574 6.582 35.523 470 H SER 58 HN SER 58 9.790 4.269 33.536 471 HA SER 58 HA SER 58 10.411 3.508 30.768 472 HB2 SER 58 HB2 SER 58 12.609 2.712 32.003 473 HB3 SER 58 HB1 SER 58 12.268 4.454 31.978 474 HG SER 58 HG SER 58 11.387 2.642 33.978 475 HA PRO 59 HA PRO 59 8.890 -0.653 31.333 476 HB2 PRO 59 HB2 PRO 59 10.515 -1.606 29.119 477 HB3 PRO 59 HB1 PRO 59 8.780 -1.280 29.115 478 HG2 PRO 59 HG2 PRO 59 10.890 0.294 27.883 479 HG3 PRO 59 HG1 PRO 59 9.152 0.594 27.837 480 HD2 PRO 59 HD1 PRO 59 11.139 2.054 29.319 481 HD3 PRO 59 HD2 PRO 59 9.382 2.306 29.322 482 H TYR 60 HN TYR 60 11.964 0.456 31.809 483 HA TYR 60 HA TYR 60 13.040 -2.180 32.487 484 HB2 TYR 60 HB2 TYR 60 14.371 0.488 31.896 485 HB3 TYR 60 HB1 TYR 60 15.258 -0.887 32.550 486 HD1 TYR 60 HD1 TYR 60 15.804 -2.781 31.156 487 HD2 TYR 60 HD2 TYR 60 13.319 0.317 29.635 488 HE1 TYR 60 HE1 TYR 60 16.023 -3.714 28.899 489 HE2 TYR 60 HE2 TYR 60 13.537 -0.616 27.378 490 HH TYR 60 HH TYR 60 14.120 -3.239 26.516 491 H ASP 61 HN ASP 61 11.859 0.730 33.694 492 HA ASP 61 HA ASP 61 12.507 -0.159 36.420 493 HB2 ASP 61 HB2 ASP 61 13.172 2.581 35.253 494 HB3 ASP 61 HB1 ASP 61 13.154 2.260 36.983 495 H LEU 62 HN LEU 62 10.259 -0.650 36.454 496 HA LEU 62 HA LEU 62 8.277 1.394 35.981 497 HB2 LEU 62 HB2 LEU 62 8.173 -1.267 37.473 498 HB3 LEU 62 HB1 LEU 62 6.751 -0.280 37.150 499 HG LEU 62 HG LEU 62 8.540 -0.924 34.841 500 HD11 LEU 62 HD21 LEU 62 8.385 -3.107 35.851 501 HD12 LEU 62 HD22 LEU 62 7.207 -3.068 34.544 502 HD13 LEU 62 HD23 LEU 62 6.677 -2.881 36.212 503 HD21 LEU 62 HD11 LEU 62 6.225 0.438 35.062 504 HD22 LEU 62 HD12 LEU 62 5.565 -1.179 34.836 505 HD23 LEU 62 HD13 LEU 62 6.630 -0.484 33.618 506 H THR 63 HN THR 63 10.492 1.851 37.889 507 HA THR 63 HA THR 63 8.849 2.571 40.290 508 HB THR 63 HB THR 63 11.897 2.315 40.226 509 HG1 THR 63 HG1 THR 63 9.804 0.433 40.463 510 HG21 THR 63 HG21 THR 63 9.676 2.395 42.307 511 HG22 THR 63 HG22 THR 63 11.244 3.195 42.360 512 HG23 THR 63 HG23 THR 63 11.127 1.464 42.661 513 H ARG 64 HN ARG 64 10.379 3.800 37.603 514 HA ARG 64 HA ARG 64 10.235 6.519 38.740 515 HB2 ARG 64 HB2 ARG 64 12.573 5.886 39.104 516 HB3 ARG 64 HB1 ARG 64 12.709 5.250 37.468 517 HG2 ARG 64 HG2 ARG 64 11.761 7.997 37.444 518 HG3 ARG 64 HG1 ARG 64 13.287 7.865 38.305 519 HD2 ARG 64 HD2 ARG 64 14.175 6.518 36.348 520 HD3 ARG 64 HD1 ARG 64 12.696 6.926 35.480 521 HE ARG 64 HE ARG 64 13.958 9.313 36.503 522 HH11 ARG 64 HH11 ARG 64 15.158 6.823 34.612 523 HH12 ARG 64 HH12 ARG 64 15.519 7.795 33.224 524 HH21 ARG 64 HH21 ARG 64 13.941 10.629 34.547 525 HH22 ARG 64 HH22 ARG 64 14.813 10.006 33.187 526 H GLY 65 HN GLY 65 9.821 8.085 37.236 527 HA2 GLY 65 HA2 GLY 65 9.683 7.280 34.370 528 HA3 GLY 65 HA1 GLY 65 8.248 7.951 35.142 529 H ARG 66 HN ARG 66 8.255 9.758 33.736 530 HA ARG 66 HA ARG 66 9.890 11.953 34.744 531 HB2 ARG 66 HB2 ARG 66 10.736 12.337 32.233 532 HB3 ARG 66 HB1 ARG 66 11.627 11.272 33.313 533 HG2 ARG 66 HG2 ARG 66 10.331 9.331 32.410 534 HG3 ARG 66 HG1 ARG 66 9.546 10.419 31.274 535 HD2 ARG 66 HD2 ARG 66 11.618 10.908 30.166 536 HD3 ARG 66 HD1 ARG 66 12.561 10.162 31.454 537 HE ARG 66 HE ARG 66 11.142 8.737 29.308 538 HH11 ARG 66 HH11 ARG 66 11.766 8.460 32.610 539 HH12 ARG 66 HH12 ARG 66 12.469 6.880 32.525 540 HH21 ARG 66 HH21 ARG 66 12.422 6.829 29.022 541 HH22 ARG 66 HH22 ARG 66 12.852 5.934 30.440 542 H ILE 67 HN ILE 67 9.048 13.933 34.272 543 HA ILE 67 HA ILE 67 6.403 13.943 32.949 544 HB ILE 67 HB ILE 67 7.972 16.266 34.175 545 HG12 ILE 67 HG12 ILE 67 7.842 14.599 35.896 546 HG13 ILE 67 HG11 ILE 67 6.567 15.762 36.228 547 HG21 ILE 67 HG21 ILE 67 5.293 16.660 34.679 548 HG22 ILE 67 HG22 ILE 67 5.197 15.772 33.161 549 HG23 ILE 67 HG23 ILE 67 6.099 17.282 33.241 550 HD11 ILE 67 HD11 ILE 67 5.113 14.130 34.735 551 HD12 ILE 67 HD12 ILE 67 5.397 13.755 36.431 552 HD13 ILE 67 HD13 ILE 67 6.347 12.957 35.181 553 H THR 68 HN THR 68 6.284 14.300 30.861 554 HA THR 68 HA THR 68 8.253 16.152 29.585 555 HB THR 68 HB THR 68 7.939 14.665 27.505 556 HG1 THR 68 HG1 THR 68 6.253 13.587 29.405 557 HG21 THR 68 HG21 THR 68 9.475 12.965 28.262 558 HG22 THR 68 HG22 THR 68 8.760 12.922 29.870 559 HG23 THR 68 HG23 THR 68 9.787 14.271 29.401 560 H TRP 69 HN TRP 69 5.198 15.945 30.557 561 HA TRP 69 HA TRP 69 4.311 17.979 28.693 562 HB2 TRP 69 HB2 TRP 69 2.276 16.170 28.195 563 HB3 TRP 69 HB1 TRP 69 3.647 16.411 27.112 564 HD1 TRP 69 HD1 TRP 69 4.007 14.663 30.532 565 HE1 TRP 69 HE1 TRP 69 4.822 12.317 30.030 566 HE3 TRP 69 HE3 TRP 69 3.440 14.796 25.655 567 HZ2 TRP 69 HZ2 TRP 69 5.089 10.576 27.581 568 HZ3 TRP 69 HZ3 TRP 69 3.902 12.874 24.194 569 HH2 TRP 69 HH2 TRP 69 4.723 10.765 25.157 570 H ARG 70 HN ARG 70 3.400 19.226 30.222 571 HA ARG 70 HA ARG 70 2.109 18.236 32.536 572 HB2 ARG 70 HB2 ARG 70 2.916 20.475 32.688 573 HB3 ARG 70 HB1 ARG 70 2.220 20.919 31.134 574 HG2 ARG 70 HG2 ARG 70 -0.025 20.862 32.045 575 HG3 ARG 70 HG1 ARG 70 0.553 20.176 33.560 576 HD2 ARG 70 HD2 ARG 70 0.374 22.450 34.109 577 HD3 ARG 70 HD1 ARG 70 2.066 22.337 33.626 578 HE ARG 70 HE ARG 70 1.527 23.497 31.593 579 HH11 ARG 70 HH11 ARG 70 -1.048 22.216 30.947 580 HH12 ARG 70 HH12 ARG 70 -2.199 23.479 31.236 581 HH21 ARG 70 HH21 ARG 70 0.057 25.381 33.126 582 HH22 ARG 70 HH22 ARG 70 -1.557 25.316 32.502 583 H LYS 71 HN LYS 71 -0.185 18.580 33.093 584 HA LYS 71 HA LYS 71 -1.882 17.679 30.881 585 HB2 LYS 71 HB2 LYS 71 -2.045 16.609 33.136 586 HB3 LYS 71 HB1 LYS 71 -2.501 18.158 33.836 587 HG2 LYS 71 HG2 LYS 71 -4.639 18.033 33.033 588 HG3 LYS 71 HG1 LYS 71 -4.127 17.324 31.506 589 HD2 LYS 71 HD2 LYS 71 -3.913 15.136 32.504 590 HD3 LYS 71 HD1 LYS 71 -4.126 15.792 34.123 591 HE2 LYS 71 HE2 LYS 71 -6.240 14.828 33.463 592 HE3 LYS 71 HE1 LYS 71 -6.427 16.577 33.405 593 HZ1 LYS 71 HZ1 LYS 71 -6.804 16.518 31.238 594 HZ2 LYS 71 HZ2 LYS 71 -6.965 14.835 31.387 595 HZ3 LYS 71 HZ3 LYS 71 -5.472 15.507 30.936 596 H LYS 72 HN LYS 72 -3.388 18.877 29.867 597 HA LYS 72 HA LYS 72 -3.524 21.747 30.593 598 HB2 LYS 72 HB2 LYS 72 -3.190 20.770 28.181 599 HB3 LYS 72 HB1 LYS 72 -4.912 20.411 28.236 600 HG2 LYS 72 HG2 LYS 72 -5.183 22.896 28.967 601 HG3 LYS 72 HG1 LYS 72 -3.548 23.102 28.347 602 HD2 LYS 72 HD2 LYS 72 -5.787 21.853 26.727 603 HD3 LYS 72 HD1 LYS 72 -5.395 23.567 26.662 604 HE2 LYS 72 HE2 LYS 72 -3.005 22.886 26.105 605 HE3 LYS 72 HE1 LYS 72 -3.599 21.240 25.919 606 HZ1 LYS 72 HZ1 LYS 72 -5.115 23.242 24.495 607 HZ2 LYS 72 HZ2 LYS 72 -4.568 21.719 23.983 608 HZ3 LYS 72 HZ3 LYS 72 -3.515 23.052 23.956 Start of MODEL 6 1 HA MET 1 HA MET 1 13.392 -10.726 27.133 2 HB2 MET 1 HB2 MET 1 10.427 -10.596 26.955 3 HB3 MET 1 HB1 MET 1 11.160 -11.540 25.666 4 HG2 MET 1 HG2 MET 1 12.140 -13.051 27.140 5 HG3 MET 1 HG1 MET 1 12.094 -11.936 28.478 6 HE1 MET 1 HE1 MET 1 10.009 -14.168 26.114 7 HE2 MET 1 HE2 MET 1 9.222 -15.180 27.324 8 HE3 MET 1 HE3 MET 1 10.983 -15.107 27.245 9 H ALA 2 HN ALA 2 10.985 -10.059 24.696 10 HA ALA 2 HA ALA 2 13.200 -9.572 22.758 11 HB1 ALA 2 HB1 ALA 2 11.200 -10.023 21.105 12 HB2 ALA 2 HB2 ALA 2 10.350 -10.605 22.533 13 HB3 ALA 2 HB3 ALA 2 11.837 -11.391 22.014 14 H LYS 3 HN LYS 3 10.597 -8.012 24.338 15 HA LYS 3 HA LYS 3 11.256 -5.491 23.066 16 HB2 LYS 3 HB2 LYS 3 9.819 -6.589 21.302 17 HB3 LYS 3 HB1 LYS 3 8.518 -6.733 22.480 18 HG2 LYS 3 HG2 LYS 3 7.913 -4.720 21.511 19 HG3 LYS 3 HG1 LYS 3 8.991 -4.111 22.762 20 HD2 LYS 3 HD2 LYS 3 9.907 -3.056 20.909 21 HD3 LYS 3 HD1 LYS 3 10.839 -4.547 20.890 22 HE2 LYS 3 HE2 LYS 3 8.799 -5.429 19.442 23 HE3 LYS 3 HE1 LYS 3 8.560 -3.715 19.123 24 HZ1 LYS 3 HZ1 LYS 3 10.288 -5.366 17.823 25 HZ2 LYS 3 HZ2 LYS 3 11.295 -4.494 18.875 26 HZ3 LYS 3 HZ3 LYS 3 10.299 -3.669 17.774 27 H LYS 4 HN LYS 4 10.515 -3.767 24.245 28 HA LYS 4 HA LYS 4 8.365 -4.150 26.219 29 HB2 LYS 4 HB2 LYS 4 10.944 -4.765 27.015 30 HB3 LYS 4 HB1 LYS 4 10.858 -3.061 27.444 31 HG2 LYS 4 HG2 LYS 4 8.916 -3.421 28.821 32 HG3 LYS 4 HG1 LYS 4 8.714 -5.060 28.215 33 HD2 LYS 4 HD2 LYS 4 10.843 -5.729 29.248 34 HD3 LYS 4 HD1 LYS 4 11.111 -4.081 29.802 35 HE2 LYS 4 HE2 LYS 4 8.815 -4.314 30.981 36 HE3 LYS 4 HE1 LYS 4 8.999 -6.041 30.707 37 HZ1 LYS 4 HZ1 LYS 4 9.931 -4.781 32.847 38 HZ2 LYS 4 HZ2 LYS 4 11.300 -4.696 31.846 39 HZ3 LYS 4 HZ3 LYS 4 10.619 -6.204 32.226 40 H ASP 5 HN ASP 5 7.187 -2.389 25.804 41 HA ASP 5 HA ASP 5 8.554 0.153 25.131 42 HB2 ASP 5 HB2 ASP 5 6.107 0.883 24.708 43 HB3 ASP 5 HB1 ASP 5 6.700 -0.406 23.665 44 H VAL 6 HN VAL 6 7.414 2.155 26.051 45 HA VAL 6 HA VAL 6 7.588 1.960 28.970 46 HB VAL 6 HB VAL 6 7.055 4.505 28.726 47 HG11 VAL 6 HG11 VAL 6 9.447 3.043 27.690 48 HG12 VAL 6 HG12 VAL 6 9.309 4.138 29.058 49 HG13 VAL 6 HG13 VAL 6 9.366 4.780 27.425 50 HG21 VAL 6 HG21 VAL 6 7.667 3.952 25.816 51 HG22 VAL 6 HG22 VAL 6 7.095 5.451 26.540 52 HG23 VAL 6 HG23 VAL 6 6.013 4.068 26.408 53 H ILE 7 HN ILE 7 5.925 3.505 30.135 54 HA ILE 7 HA ILE 7 3.174 2.716 29.218 55 HB ILE 7 HB ILE 7 4.250 2.807 32.082 56 HG12 ILE 7 HG12 ILE 7 3.626 0.526 30.187 57 HG13 ILE 7 HG11 ILE 7 5.148 0.865 31.003 58 HG21 ILE 7 HG21 ILE 7 2.022 1.902 32.664 59 HG22 ILE 7 HG22 ILE 7 1.574 1.816 30.963 60 HG23 ILE 7 HG23 ILE 7 1.790 3.382 31.738 61 HD11 ILE 7 HD11 ILE 7 4.213 -0.831 32.344 62 HD12 ILE 7 HD12 ILE 7 2.579 -0.199 32.169 63 HD13 ILE 7 HD13 ILE 7 3.740 0.635 33.198 64 H GLU 8 HN GLU 8 2.419 4.604 28.505 65 HA GLU 8 HA GLU 8 3.031 7.140 29.760 66 HB2 GLU 8 HB2 GLU 8 1.097 6.162 27.634 67 HB3 GLU 8 HB1 GLU 8 0.927 7.794 28.272 68 HG2 GLU 8 HG2 GLU 8 3.385 8.151 27.739 69 HG3 GLU 8 HG1 GLU 8 3.351 6.606 26.890 70 H LEU 9 HN LEU 9 2.256 7.712 31.687 71 HA LEU 9 HA LEU 9 -0.638 7.237 32.216 72 HB2 LEU 9 HB2 LEU 9 1.670 6.032 33.629 73 HB3 LEU 9 HB1 LEU 9 0.550 6.849 34.713 74 HG LEU 9 HG LEU 9 -0.444 4.957 32.576 75 HD11 LEU 9 HD11 LEU 9 0.336 4.264 35.430 76 HD12 LEU 9 HD12 LEU 9 1.206 3.746 33.989 77 HD13 LEU 9 HD13 LEU 9 -0.434 3.175 34.282 78 HD21 LEU 9 HD21 LEU 9 -1.512 6.101 35.169 79 HD22 LEU 9 HD22 LEU 9 -2.280 4.741 34.357 80 HD23 LEU 9 HD23 LEU 9 -2.172 6.303 33.549 81 H GLU 10 HN GLU 10 -1.609 8.787 33.436 82 HA GLU 10 HA GLU 10 -0.062 11.258 33.767 83 HB2 GLU 10 HB2 GLU 10 -2.993 10.689 34.404 84 HB3 GLU 10 HB1 GLU 10 -2.257 12.278 34.234 85 HG2 GLU 10 HG2 GLU 10 -1.739 11.799 31.867 86 HG3 GLU 10 HG1 GLU 10 -2.439 10.190 32.031 87 H GLY 11 HN GLY 11 0.423 12.248 35.678 88 HA2 GLY 11 HA2 GLY 11 -0.503 10.946 38.186 89 HA3 GLY 11 HA1 GLY 11 1.234 11.043 37.911 90 H THR 12 HN THR 12 -0.413 12.308 39.996 91 HA THR 12 HA THR 12 -0.242 15.163 39.245 92 HB THR 12 HB THR 12 -1.268 13.812 41.816 93 HG1 THR 12 HG1 THR 12 -2.914 13.520 40.542 94 HG21 THR 12 HG21 THR 12 -1.571 16.660 40.689 95 HG22 THR 12 HG22 THR 12 -0.634 16.252 42.122 96 HG23 THR 12 HG23 THR 12 -2.384 16.059 42.131 97 H VAL 13 HN VAL 13 1.360 16.437 39.853 98 HA VAL 13 HA VAL 13 3.709 15.346 41.049 99 HB VAL 13 HB VAL 13 2.950 18.295 41.194 100 HG11 VAL 13 HG21 VAL 13 5.050 17.811 42.242 101 HG12 VAL 13 HG22 VAL 13 5.455 18.442 40.649 102 HG13 VAL 13 HG23 VAL 13 5.517 16.708 40.953 103 HG21 VAL 13 HG11 VAL 13 2.588 17.044 38.887 104 HG22 VAL 13 HG12 VAL 13 4.339 17.126 38.813 105 HG23 VAL 13 HG13 VAL 13 3.392 18.603 38.931 106 H SER 14 HN SER 14 4.212 14.924 43.045 107 HA SER 14 HA SER 14 2.365 15.821 45.174 108 HB2 SER 14 HB2 SER 14 4.561 13.685 45.167 109 HB3 SER 14 HB1 SER 14 3.401 13.962 46.480 110 HG SER 14 HG SER 14 1.979 12.921 45.351 111 H GLU 15 HN GLU 15 5.770 16.012 44.222 112 HA GLU 15 HA GLU 15 6.093 18.273 46.065 113 HB2 GLU 15 HB2 GLU 15 6.448 16.129 47.452 114 HB3 GLU 15 HB1 GLU 15 7.871 15.824 46.463 115 HG2 GLU 15 HG2 GLU 15 9.008 17.711 47.288 116 HG3 GLU 15 HG1 GLU 15 7.520 18.498 47.807 117 H ALA 16 HN ALA 16 8.124 19.365 45.837 118 HA ALA 16 HA ALA 16 9.298 18.934 43.146 119 HB1 ALA 16 HB1 ALA 16 10.305 21.269 43.675 120 HB2 ALA 16 HB2 ALA 16 9.265 21.270 45.097 121 HB3 ALA 16 HB3 ALA 16 8.556 21.204 43.486 122 H LEU 17 HN LEU 17 11.150 17.861 43.007 123 HA LEU 17 HA LEU 17 12.952 17.836 45.375 124 HB2 LEU 17 HB2 LEU 17 12.829 15.994 42.948 125 HB3 LEU 17 HB1 LEU 17 13.895 15.774 44.332 126 HG LEU 17 HG LEU 17 10.884 15.963 44.623 127 HD11 LEU 17 HD21 LEU 17 11.232 14.027 43.246 128 HD12 LEU 17 HD22 LEU 17 11.064 13.426 44.892 129 HD13 LEU 17 HD23 LEU 17 12.660 13.552 44.160 130 HD21 LEU 17 HD11 LEU 17 11.835 16.288 46.730 131 HD22 LEU 17 HD12 LEU 17 13.229 15.275 46.368 132 HD23 LEU 17 HD13 LEU 17 11.667 14.536 46.705 133 HA PRO 18 HA PRO 18 15.984 20.274 43.314 134 HB2 PRO 18 HB2 PRO 18 18.237 18.786 44.351 135 HB3 PRO 18 HB1 PRO 18 17.586 20.304 44.969 136 HG2 PRO 18 HG2 PRO 18 17.340 17.634 46.127 137 HG3 PRO 18 HG1 PRO 18 16.808 19.171 46.813 138 HD2 PRO 18 HD1 PRO 18 15.145 17.110 45.720 139 HD3 PRO 18 HD2 PRO 18 14.643 18.722 46.268 140 H ASN 19 HN ASN 19 17.983 20.030 41.945 141 HA ASN 19 HA ASN 19 19.090 19.104 40.120 142 HB2 ASN 19 HB2 ASN 19 18.011 16.358 40.770 143 HB3 ASN 19 HB1 ASN 19 19.631 16.816 40.250 144 HD21 ASN 19 HD21 ASN 19 18.505 15.326 42.751 145 HD22 ASN 19 HD22 ASN 19 19.285 16.099 44.045 146 H ALA 20 HN ALA 20 16.257 19.926 39.997 147 HA ALA 20 HA ALA 20 14.537 19.923 38.410 148 HB1 ALA 20 HB1 ALA 20 16.333 18.259 36.610 149 HB2 ALA 20 HB2 ALA 20 16.757 19.929 36.962 150 HB3 ALA 20 HB3 ALA 20 15.235 19.557 36.164 151 H MET 21 HN MET 21 13.878 18.203 40.176 152 HA MET 21 HA MET 21 12.722 15.975 38.677 153 HB2 MET 21 HB2 MET 21 14.534 15.627 41.124 154 HB3 MET 21 HB1 MET 21 13.509 14.350 40.480 155 HG2 MET 21 HG2 MET 21 14.675 14.804 38.234 156 HG3 MET 21 HG1 MET 21 15.840 15.714 39.152 157 HE1 MET 21 HE1 MET 21 15.974 13.215 41.861 158 HE2 MET 21 HE2 MET 21 16.553 14.802 41.355 159 HE3 MET 21 HE3 MET 21 17.641 13.414 41.320 160 H PHE 22 HN PHE 22 11.126 14.861 40.047 161 HA PHE 22 HA PHE 22 10.315 16.171 42.510 162 HB2 PHE 22 HB2 PHE 22 7.921 16.454 41.156 163 HB3 PHE 22 HB1 PHE 22 9.073 17.758 41.376 164 HD1 PHE 22 HD1 PHE 22 9.236 14.762 39.143 165 HD2 PHE 22 HD2 PHE 22 9.063 19.006 39.403 166 HE1 PHE 22 HE1 PHE 22 9.531 14.927 36.723 167 HE2 PHE 22 HE2 PHE 22 9.335 19.159 36.973 168 HZ PHE 22 HZ PHE 22 9.568 17.120 35.644 169 H LYS 23 HN LYS 23 8.306 15.281 43.386 170 HA LYS 23 HA LYS 23 8.142 12.390 42.734 171 HB2 LYS 23 HB2 LYS 23 8.519 13.493 45.137 172 HB3 LYS 23 HB1 LYS 23 6.775 13.725 45.087 173 HG2 LYS 23 HG2 LYS 23 6.357 11.391 44.939 174 HG3 LYS 23 HG1 LYS 23 8.019 11.038 44.480 175 HD2 LYS 23 HD2 LYS 23 7.245 12.215 47.167 176 HD3 LYS 23 HD1 LYS 23 7.464 10.490 46.892 177 HE2 LYS 23 HE2 LYS 23 9.767 11.390 45.807 178 HE3 LYS 23 HE1 LYS 23 9.496 12.669 46.985 179 HZ1 LYS 23 HZ1 LYS 23 10.283 11.321 48.522 180 HZ2 LYS 23 HZ2 LYS 23 10.423 10.046 47.409 181 HZ3 LYS 23 HZ3 LYS 23 8.974 10.269 48.267 182 H VAL 24 HN VAL 24 6.280 11.479 41.993 183 HA VAL 24 HA VAL 24 3.870 13.253 41.815 184 HB VAL 24 HB VAL 24 4.913 11.367 39.659 185 HG11 VAL 24 HG11 VAL 24 2.712 13.435 39.466 186 HG12 VAL 24 HG12 VAL 24 2.387 11.753 39.866 187 HG13 VAL 24 HG13 VAL 24 3.099 12.168 38.310 188 HG21 VAL 24 HG21 VAL 24 6.097 13.663 40.208 189 HG22 VAL 24 HG22 VAL 24 4.706 14.342 39.373 190 HG23 VAL 24 HG23 VAL 24 5.770 13.216 38.540 191 H LYS 25 HN LYS 25 1.923 12.319 41.994 192 HA LYS 25 HA LYS 25 1.948 9.434 42.828 193 HB2 LYS 25 HB2 LYS 25 0.407 11.843 43.766 194 HB3 LYS 25 HB1 LYS 25 -0.387 10.275 43.854 195 HG2 LYS 25 HG2 LYS 25 1.707 9.423 45.040 196 HG3 LYS 25 HG1 LYS 25 2.219 11.100 45.157 197 HD2 LYS 25 HD2 LYS 25 -0.561 10.715 46.001 198 HD3 LYS 25 HD1 LYS 25 0.573 9.783 46.971 199 HE2 LYS 25 HE2 LYS 25 0.681 12.767 46.429 200 HE3 LYS 25 HE1 LYS 25 0.325 11.994 47.967 201 HZ1 LYS 25 HZ1 LYS 25 2.891 11.868 46.489 202 HZ2 LYS 25 HZ2 LYS 25 2.556 11.015 47.917 203 HZ3 LYS 25 HZ3 LYS 25 2.591 12.712 47.931 204 H LEU 26 HN LEU 26 1.040 8.082 41.474 205 HA LEU 26 HA LEU 26 -0.490 9.001 39.216 206 HB2 LEU 26 HB2 LEU 26 -0.140 6.162 40.281 207 HB3 LEU 26 HB1 LEU 26 -0.588 6.614 38.642 208 HG LEU 26 HG LEU 26 1.681 7.986 38.724 209 HD11 LEU 26 HD21 LEU 26 1.878 6.070 41.024 210 HD12 LEU 26 HD22 LEU 26 2.543 7.691 40.862 211 HD13 LEU 26 HD23 LEU 26 3.305 6.340 40.038 212 HD21 LEU 26 HD11 LEU 26 1.453 4.979 38.408 213 HD22 LEU 26 HD12 LEU 26 2.853 5.911 37.885 214 HD23 LEU 26 HD13 LEU 26 1.281 6.190 37.142 215 H GLU 27 HN GLU 27 -2.609 7.945 38.698 216 HA GLU 27 HA GLU 27 -4.545 8.672 40.665 217 HB2 GLU 27 HB2 GLU 27 -4.615 7.052 38.094 218 HB3 GLU 27 HB1 GLU 27 -6.060 7.178 39.091 219 HG2 GLU 27 HG2 GLU 27 -4.639 9.733 38.561 220 HG3 GLU 27 HG1 GLU 27 -5.426 8.992 37.169 221 H ASN 28 HN ASN 28 -2.913 5.678 39.952 222 HA ASN 28 HA ASN 28 -4.664 3.908 41.349 223 HB2 ASN 28 HB2 ASN 28 -1.649 3.825 40.841 224 HB3 ASN 28 HB1 ASN 28 -2.556 2.470 41.506 225 HD21 ASN 28 HD21 ASN 28 -4.967 2.935 39.884 226 HD22 ASN 28 HD22 ASN 28 -4.572 2.508 38.289 227 H GLY 29 HN GLY 29 -2.721 6.412 42.485 228 HA2 GLY 29 HA2 GLY 29 -2.802 7.122 44.799 229 HA3 GLY 29 HA1 GLY 29 -3.124 5.458 45.270 230 H HIS 30 HN HIS 30 -0.829 4.918 43.157 231 HA HIS 30 HA HIS 30 1.230 4.722 45.213 232 HB2 HIS 30 HB2 HIS 30 1.388 4.202 42.209 233 HB3 HIS 30 HB1 HIS 30 2.535 3.629 43.419 234 HD1 HIS 30 HD1 HIS 30 -0.718 2.884 42.065 235 HD2 HIS 30 HD2 HIS 30 1.486 1.673 45.239 236 HE1 HIS 30 HE1 HIS 30 -1.851 0.918 42.882 237 H GLU 31 HN GLU 31 3.480 5.420 44.720 238 HA GLU 31 HA GLU 31 3.524 8.094 43.434 239 HB2 GLU 31 HB2 GLU 31 3.507 8.059 46.014 240 HB3 GLU 31 HB1 GLU 31 5.095 7.304 45.914 241 HG2 GLU 31 HG2 GLU 31 6.055 9.213 44.869 242 HG3 GLU 31 HG1 GLU 31 4.476 9.892 44.479 243 H ILE 32 HN ILE 32 5.322 8.629 42.274 244 HA ILE 32 HA ILE 32 7.594 6.739 42.283 245 HB ILE 32 HB ILE 32 5.912 7.481 39.923 246 HG12 ILE 32 HG12 ILE 32 6.823 4.772 40.879 247 HG13 ILE 32 HG11 ILE 32 5.293 5.498 41.355 248 HG21 ILE 32 HG21 ILE 32 8.188 7.697 39.148 249 HG22 ILE 32 HG22 ILE 32 7.691 6.082 38.660 250 HG23 ILE 32 HG23 ILE 32 8.701 6.299 40.083 251 HD11 ILE 32 HD11 ILE 32 6.156 4.508 38.660 252 HD12 ILE 32 HD12 ILE 32 4.998 5.830 38.743 253 HD13 ILE 32 HD13 ILE 32 4.620 4.282 39.489 254 H LEU 33 HN LEU 33 9.493 7.568 41.133 255 HA LEU 33 HA LEU 33 9.679 10.480 41.497 256 HB2 LEU 33 HB2 LEU 33 11.663 8.217 41.084 257 HB3 LEU 33 HB1 LEU 33 12.178 9.886 40.862 258 HG LEU 33 HG LEU 33 11.648 10.451 43.130 259 HD11 LEU 33 HD21 LEU 33 9.514 9.363 43.392 260 HD12 LEU 33 HD22 LEU 33 10.573 8.683 44.623 261 HD13 LEU 33 HD23 LEU 33 10.228 7.771 43.156 262 HD21 LEU 33 HD11 LEU 33 12.742 7.630 43.303 263 HD22 LEU 33 HD12 LEU 33 13.104 8.992 44.359 264 HD23 LEU 33 HD13 LEU 33 13.703 8.978 42.703 265 H CYS 34 HN CYS 34 10.111 11.930 39.858 266 HA CYS 34 HA CYS 34 10.381 10.804 37.111 267 HB2 CYS 34 HB2 CYS 34 8.548 13.130 37.690 268 HB3 CYS 34 HB1 CYS 34 8.594 12.126 36.268 269 HG CYS 34 HG1 CYS 34 7.608 10.287 38.238 270 H HIS 35 HN HIS 35 11.620 11.943 35.761 271 HA HIS 35 HA HIS 35 12.922 14.378 36.909 272 HB2 HIS 35 HB2 HIS 35 13.807 12.654 34.538 273 HB3 HIS 35 HB1 HIS 35 14.776 13.851 35.393 274 HD1 HIS 35 HD1 HIS 35 12.859 10.869 36.524 275 HD2 HIS 35 HD2 HIS 35 16.481 12.599 37.099 276 HE1 HIS 35 HE1 HIS 35 13.988 9.422 38.106 277 H ILE 36 HN ILE 36 13.611 16.001 35.219 278 HA ILE 36 HA ILE 36 11.254 16.587 33.560 279 HB ILE 36 HB ILE 36 13.683 18.179 34.446 280 HG12 ILE 36 HG12 ILE 36 10.738 18.743 34.826 281 HG13 ILE 36 HG11 ILE 36 11.635 17.679 35.908 282 HG21 ILE 36 HG21 ILE 36 12.075 20.054 33.303 283 HG22 ILE 36 HG22 ILE 36 11.654 18.693 32.267 284 HG23 ILE 36 HG23 ILE 36 13.326 19.236 32.372 285 HD11 ILE 36 HD11 ILE 36 11.568 20.536 35.934 286 HD12 ILE 36 HD12 ILE 36 13.202 20.046 35.507 287 HD13 ILE 36 HD13 ILE 36 12.472 19.468 37.002 288 H SER 37 HN SER 37 11.376 17.164 31.394 289 HA SER 37 HA SER 37 13.624 15.872 29.958 290 HB2 SER 37 HB2 SER 37 10.701 16.374 29.339 291 HB3 SER 37 HB1 SER 37 11.840 16.161 27.995 292 HG SER 37 HG SER 37 12.023 14.134 28.513 293 H GLY 38 HN GLY 38 13.353 17.016 27.494 294 HA2 GLY 38 HA2 GLY 38 14.638 19.601 27.949 295 HA3 GLY 38 HA1 GLY 38 14.414 18.821 26.389 296 H LYS 39 HN LYS 39 11.432 18.549 27.286 297 HA LYS 39 HA LYS 39 10.546 20.893 25.869 298 HB2 LYS 39 HB2 LYS 39 9.048 18.816 27.521 299 HB3 LYS 39 HB1 LYS 39 8.244 20.058 26.568 300 HG2 LYS 39 HG2 LYS 39 9.842 19.116 24.650 301 HG3 LYS 39 HG1 LYS 39 9.791 17.667 25.648 302 HD2 LYS 39 HD2 LYS 39 7.234 17.967 25.665 303 HD3 LYS 39 HD1 LYS 39 7.473 19.125 24.362 304 HE2 LYS 39 HE2 LYS 39 7.020 16.879 23.450 305 HE3 LYS 39 HE1 LYS 39 8.653 17.392 23.044 306 HZ1 LYS 39 HZ1 LYS 39 7.881 15.570 25.252 307 HZ2 LYS 39 HZ2 LYS 39 9.460 16.118 24.953 308 HZ3 LYS 39 HZ3 LYS 39 8.672 15.138 23.812 309 H LEU 40 HN LEU 40 9.771 19.888 29.194 310 HA LEU 40 HA LEU 40 8.667 22.356 29.988 311 HB2 LEU 40 HB2 LEU 40 10.277 20.271 31.549 312 HB3 LEU 40 HB1 LEU 40 9.436 21.611 32.328 313 HG LEU 40 HG LEU 40 7.481 20.688 30.723 314 HD11 LEU 40 HD11 LEU 40 8.625 18.809 29.819 315 HD12 LEU 40 HD12 LEU 40 7.520 18.164 31.029 316 HD13 LEU 40 HD13 LEU 40 9.231 18.335 31.402 317 HD21 LEU 40 HD21 LEU 40 7.439 21.078 33.218 318 HD22 LEU 40 HD22 LEU 40 8.134 19.474 33.426 319 HD23 LEU 40 HD23 LEU 40 6.532 19.656 32.719 320 H ARG 41 HN ARG 41 11.764 21.421 29.286 321 HA ARG 41 HA ARG 41 13.147 23.496 30.769 322 HB2 ARG 41 HB2 ARG 41 13.840 21.207 29.195 323 HB3 ARG 41 HB1 ARG 41 14.617 22.589 28.432 324 HG2 ARG 41 HG2 ARG 41 14.755 22.146 31.419 325 HG3 ARG 41 HG1 ARG 41 15.918 21.404 30.325 326 HD2 ARG 41 HD2 ARG 41 15.397 24.315 29.944 327 HD3 ARG 41 HD1 ARG 41 16.308 23.854 31.381 328 HE ARG 41 HE ARG 41 17.336 22.532 29.020 329 HH11 ARG 41 HH11 ARG 41 18.476 24.144 31.506 330 HH12 ARG 41 HH12 ARG 41 19.445 25.303 30.659 331 HH21 ARG 41 HH21 ARG 41 17.986 24.558 27.560 332 HH22 ARG 41 HH22 ARG 41 19.161 25.544 28.365 333 H MET 42 HN MET 42 11.899 23.099 27.517 334 HA MET 42 HA MET 42 12.902 25.740 26.735 335 HB2 MET 42 HB2 MET 42 11.389 23.510 25.325 336 HB3 MET 42 HB1 MET 42 11.613 25.082 24.565 337 HG2 MET 42 HG2 MET 42 14.040 24.874 24.826 338 HG3 MET 42 HG1 MET 42 13.843 23.346 25.641 339 HE1 MET 42 HE1 MET 42 12.539 25.128 22.561 340 HE2 MET 42 HE2 MET 42 13.209 24.222 21.203 341 HE3 MET 42 HE3 MET 42 14.272 25.172 22.241 342 H ASN 43 HN ASN 43 10.038 24.266 27.948 343 HA ASN 43 HA ASN 43 8.279 26.422 27.008 344 HB2 ASN 43 HB2 ASN 43 7.853 23.806 27.725 345 HB3 ASN 43 HB1 ASN 43 7.439 24.597 29.238 346 HD21 ASN 43 HD21 ASN 43 5.153 24.171 29.000 347 HD22 ASN 43 HD22 ASN 43 4.208 24.965 27.835 348 H PHE 44 HN PHE 44 9.884 25.448 29.970 349 HA PHE 44 HA PHE 44 10.031 26.482 32.069 350 HB2 PHE 44 HB2 PHE 44 11.357 27.893 30.224 351 HB3 PHE 44 HB1 PHE 44 10.136 29.112 30.576 352 HD1 PHE 44 HD1 PHE 44 10.105 30.254 32.727 353 HD2 PHE 44 HD2 PHE 44 12.872 27.088 32.027 354 HE1 PHE 44 HE1 PHE 44 11.318 30.852 34.777 355 HE2 PHE 44 HE2 PHE 44 14.078 27.695 34.078 356 HZ PHE 44 HZ PHE 44 13.308 29.581 35.446 357 H ILE 45 HN ILE 45 7.419 26.005 31.841 358 HA ILE 45 HA ILE 45 5.977 28.557 32.229 359 HB ILE 45 HB ILE 45 4.723 25.813 32.474 360 HG12 ILE 45 HG12 ILE 45 6.146 25.865 30.411 361 HG13 ILE 45 HG11 ILE 45 4.432 25.671 30.093 362 HG21 ILE 45 HG21 ILE 45 2.886 27.205 31.226 363 HG22 ILE 45 HG22 ILE 45 3.875 28.611 31.607 364 HG23 ILE 45 HG23 ILE 45 3.204 27.626 32.904 365 HD11 ILE 45 HD11 ILE 45 4.206 28.009 29.514 366 HD12 ILE 45 HD12 ILE 45 5.577 27.372 28.610 367 HD13 ILE 45 HD13 ILE 45 5.849 28.348 30.048 368 H ARG 46 HN ARG 46 4.569 28.806 34.106 369 HA ARG 46 HA ARG 46 5.954 28.267 36.536 370 HB2 ARG 46 HB2 ARG 46 2.959 28.741 36.402 371 HB3 ARG 46 HB1 ARG 46 4.099 29.315 37.613 372 HG2 ARG 46 HG2 ARG 46 3.836 30.256 34.752 373 HG3 ARG 46 HG1 ARG 46 3.540 31.188 36.212 374 HD2 ARG 46 HD2 ARG 46 6.222 30.074 35.324 375 HD3 ARG 46 HD1 ARG 46 5.745 31.769 35.299 376 HE ARG 46 HE ARG 46 5.409 30.834 37.955 377 HH11 ARG 46 HH11 ARG 46 7.911 29.384 37.373 378 HH12 ARG 46 HH12 ARG 46 9.136 30.553 37.738 379 HH21 ARG 46 HH21 ARG 46 6.883 33.236 37.648 380 HH22 ARG 46 HH22 ARG 46 8.539 32.791 37.898 381 H ILE 47 HN ILE 47 5.792 26.692 37.987 382 HA ILE 47 HA ILE 47 3.755 24.551 37.541 383 HB ILE 47 HB ILE 47 6.753 24.241 38.015 384 HG12 ILE 47 HG12 ILE 47 5.591 22.659 35.880 385 HG13 ILE 47 HG11 ILE 47 5.176 24.356 35.662 386 HG21 ILE 47 HG21 ILE 47 5.542 22.581 39.377 387 HG22 ILE 47 HG22 ILE 47 6.174 21.751 37.959 388 HG23 ILE 47 HG23 ILE 47 4.472 22.197 38.032 389 HD11 ILE 47 HD11 ILE 47 7.957 23.188 36.007 390 HD12 ILE 47 HD12 ILE 47 7.617 24.916 36.027 391 HD13 ILE 47 HD13 ILE 47 7.309 23.976 34.572 392 H LEU 48 HN LEU 48 2.908 23.666 39.346 393 HA LEU 48 HA LEU 48 4.157 24.295 41.967 394 HB2 LEU 48 HB2 LEU 48 1.300 24.996 41.123 395 HB3 LEU 48 HB1 LEU 48 1.836 24.997 42.799 396 HG LEU 48 HG LEU 48 3.220 26.605 40.633 397 HD11 LEU 48 HD11 LEU 48 0.907 27.398 40.821 398 HD12 LEU 48 HD12 LEU 48 1.979 28.554 41.603 399 HD13 LEU 48 HD13 LEU 48 1.035 27.433 42.578 400 HD21 LEU 48 HD21 LEU 48 3.369 26.391 43.636 401 HD22 LEU 48 HD22 LEU 48 3.819 27.897 42.843 402 HD23 LEU 48 HD23 LEU 48 4.684 26.409 42.465 403 H GLU 49 HN GLU 49 3.938 22.660 43.383 404 HA GLU 49 HA GLU 49 3.260 20.108 42.685 405 HB2 GLU 49 HB2 GLU 49 2.638 19.914 45.267 406 HB3 GLU 49 HB1 GLU 49 4.290 20.313 44.809 407 HG2 GLU 49 HG2 GLU 49 3.835 22.702 45.111 408 HG3 GLU 49 HG1 GLU 49 2.142 22.363 45.456 409 H GLY 50 HN GLY 50 1.449 18.768 42.986 410 HA2 GLY 50 HA2 GLY 50 -0.884 18.355 43.400 411 HA3 GLY 50 HA1 GLY 50 -1.137 20.093 43.548 412 H ASP 51 HN ASP 51 0.658 20.199 41.004 413 HA ASP 51 HA ASP 51 -1.588 20.341 39.168 414 HB2 ASP 51 HB2 ASP 51 1.397 20.834 39.012 415 HB3 ASP 51 HB1 ASP 51 0.477 20.701 37.515 416 H LYS 52 HN LYS 52 -1.965 19.022 37.383 417 HA LYS 52 HA LYS 52 -0.925 16.344 37.651 418 HB2 LYS 52 HB2 LYS 52 -3.030 17.498 35.791 419 HB3 LYS 52 HB1 LYS 52 -2.656 15.783 35.924 420 HG2 LYS 52 HG2 LYS 52 -3.454 15.670 38.162 421 HG3 LYS 52 HG1 LYS 52 -3.437 17.422 38.342 422 HD2 LYS 52 HD2 LYS 52 -5.394 17.704 37.120 423 HD3 LYS 52 HD1 LYS 52 -5.140 16.238 36.177 424 HE2 LYS 52 HE2 LYS 52 -5.647 14.864 38.164 425 HE3 LYS 52 HE1 LYS 52 -5.872 16.321 39.123 426 HZ1 LYS 52 HZ1 LYS 52 -7.998 16.004 38.541 427 HZ2 LYS 52 HZ2 LYS 52 -7.617 15.113 37.147 428 HZ3 LYS 52 HZ3 LYS 52 -7.533 16.808 37.120 429 H VAL 53 HN VAL 53 0.192 15.210 36.242 430 HA VAL 53 HA VAL 53 1.031 16.581 33.738 431 HB VAL 53 HB VAL 53 3.406 15.977 34.376 432 HG11 VAL 53 HG21 VAL 53 3.714 17.904 35.800 433 HG12 VAL 53 HG22 VAL 53 2.034 17.819 36.320 434 HG13 VAL 53 HG23 VAL 53 2.420 18.259 34.660 435 HG21 VAL 53 HG11 VAL 53 2.205 15.616 37.120 436 HG22 VAL 53 HG12 VAL 53 3.903 15.440 36.687 437 HG23 VAL 53 HG13 VAL 53 2.720 14.279 36.096 438 H ASN 54 HN ASN 54 2.435 15.113 32.395 439 HA ASN 54 HA ASN 54 1.263 12.383 32.516 440 HB2 ASN 54 HB2 ASN 54 2.030 14.232 30.409 441 HB3 ASN 54 HB1 ASN 54 2.888 12.710 30.193 442 HD21 ASN 54 HD21 ASN 54 -0.373 14.118 30.557 443 HD22 ASN 54 HD22 ASN 54 -1.196 12.822 29.833 444 H VAL 55 HN VAL 55 2.434 10.851 33.451 445 HA VAL 55 HA VAL 55 5.373 11.206 33.596 446 HB VAL 55 HB VAL 55 3.643 9.264 35.168 447 HG11 VAL 55 HG11 VAL 55 5.945 8.668 35.324 448 HG12 VAL 55 HG12 VAL 55 5.623 9.593 36.787 449 HG13 VAL 55 HG13 VAL 55 6.455 10.349 35.431 450 HG21 VAL 55 HG21 VAL 55 2.861 10.983 36.409 451 HG22 VAL 55 HG22 VAL 55 3.635 12.113 35.305 452 HG23 VAL 55 HG23 VAL 55 4.506 11.531 36.721 453 H GLU 56 HN GLU 56 6.512 10.097 32.205 454 HA GLU 56 HA GLU 56 5.370 7.625 31.046 455 HB2 GLU 56 HB2 GLU 56 6.592 9.579 29.737 456 HB3 GLU 56 HB1 GLU 56 8.068 8.845 30.347 457 HG2 GLU 56 HG2 GLU 56 7.951 7.171 28.827 458 HG3 GLU 56 HG1 GLU 56 6.283 6.815 29.261 459 H LEU 57 HN LEU 57 5.845 5.766 31.980 460 HA LEU 57 HA LEU 57 8.141 5.641 33.839 461 HB2 LEU 57 HB2 LEU 57 6.076 3.520 33.066 462 HB3 LEU 57 HB1 LEU 57 7.195 3.414 34.419 463 HG LEU 57 HG LEU 57 5.172 5.661 34.109 464 HD11 LEU 57 HD11 LEU 57 5.005 3.095 35.737 465 HD12 LEU 57 HD12 LEU 57 3.989 3.509 34.358 466 HD13 LEU 57 HD13 LEU 57 3.872 4.439 35.850 467 HD21 LEU 57 HD21 LEU 57 5.680 5.676 36.670 468 HD22 LEU 57 HD22 LEU 57 6.874 6.368 35.581 469 HD23 LEU 57 HD23 LEU 57 7.111 4.751 36.235 470 H SER 58 HN SER 58 9.971 4.453 33.549 471 HA SER 58 HA SER 58 10.429 3.496 30.787 472 HB2 SER 58 HB2 SER 58 12.240 4.143 33.136 473 HB3 SER 58 HB1 SER 58 12.865 3.312 31.699 474 HG SER 58 HG SER 58 12.630 5.820 31.855 475 HA PRO 59 HA PRO 59 9.904 -0.727 32.084 476 HB2 PRO 59 HB2 PRO 59 11.320 -1.776 29.810 477 HB3 PRO 59 HB1 PRO 59 9.570 -1.618 29.980 478 HG2 PRO 59 HG2 PRO 59 11.372 -0.027 28.321 479 HG3 PRO 59 HG1 PRO 59 9.609 0.028 28.380 480 HD2 PRO 59 HD1 PRO 59 11.447 1.959 29.459 481 HD3 PRO 59 HD2 PRO 59 9.682 1.956 29.584 482 H TYR 60 HN TYR 60 12.742 0.952 31.860 483 HA TYR 60 HA TYR 60 14.486 -1.293 32.412 484 HB2 TYR 60 HB2 TYR 60 14.817 1.598 31.696 485 HB3 TYR 60 HB1 TYR 60 16.081 0.891 32.699 486 HD1 TYR 60 HD1 TYR 60 14.637 1.029 29.376 487 HD2 TYR 60 HD2 TYR 60 17.303 -1.157 31.866 488 HE1 TYR 60 HE1 TYR 60 15.614 -0.033 27.396 489 HE2 TYR 60 HE2 TYR 60 18.281 -2.221 29.885 490 HH TYR 60 HH TYR 60 18.380 -1.326 27.180 491 H ASP 61 HN ASP 61 12.723 1.191 33.890 492 HA ASP 61 HA ASP 61 13.528 0.193 36.507 493 HB2 ASP 61 HB2 ASP 61 14.058 2.999 35.484 494 HB3 ASP 61 HB1 ASP 61 13.794 2.727 37.204 495 H LEU 62 HN LEU 62 11.372 -0.517 36.592 496 HA LEU 62 HA LEU 62 9.142 1.230 36.179 497 HB2 LEU 62 HB2 LEU 62 9.383 -1.317 37.846 498 HB3 LEU 62 HB1 LEU 62 7.859 -0.568 37.381 499 HG LEU 62 HG LEU 62 9.845 -1.185 35.222 500 HD11 LEU 62 HD21 LEU 62 8.008 -3.228 36.516 501 HD12 LEU 62 HD22 LEU 62 9.767 -3.246 36.595 502 HD13 LEU 62 HD23 LEU 62 8.952 -3.484 35.051 503 HD21 LEU 62 HD11 LEU 62 7.628 -1.727 34.068 504 HD22 LEU 62 HD12 LEU 62 7.835 -0.048 34.555 505 HD23 LEU 62 HD13 LEU 62 6.829 -1.125 35.518 506 H THR 63 HN THR 63 11.370 1.944 38.078 507 HA THR 63 HA THR 63 9.686 2.601 40.452 508 HB THR 63 HB THR 63 12.151 3.041 41.411 509 HG1 THR 63 HG1 THR 63 13.477 2.716 39.802 510 HG21 THR 63 HG21 THR 63 11.159 0.238 40.634 511 HG22 THR 63 HG22 THR 63 10.803 1.054 42.153 512 HG23 THR 63 HG23 THR 63 12.448 0.538 41.796 513 H ARG 64 HN ARG 64 11.116 3.863 37.687 514 HA ARG 64 HA ARG 64 10.742 6.618 38.756 515 HB2 ARG 64 HB2 ARG 64 13.187 5.549 37.265 516 HB3 ARG 64 HB1 ARG 64 12.866 7.266 37.472 517 HG2 ARG 64 HG2 ARG 64 13.126 7.152 39.820 518 HG3 ARG 64 HG1 ARG 64 12.914 5.406 39.848 519 HD2 ARG 64 HD2 ARG 64 15.117 5.039 39.450 520 HD3 ARG 64 HD1 ARG 64 15.152 6.219 38.143 521 HE ARG 64 HE ARG 64 15.402 6.977 41.030 522 HH11 ARG 64 HH11 ARG 64 15.548 9.395 40.646 523 HH12 ARG 64 HH12 ARG 64 16.818 9.858 39.563 524 HH21 ARG 64 HH21 ARG 64 17.245 6.598 38.348 525 HH22 ARG 64 HH22 ARG 64 17.804 8.234 38.227 526 H GLY 65 HN GLY 65 10.263 8.176 37.217 527 HA2 GLY 65 HA2 GLY 65 9.766 7.240 34.429 528 HA3 GLY 65 HA1 GLY 65 8.443 7.976 35.334 529 H ARG 66 HN ARG 66 8.357 9.716 33.782 530 HA ARG 66 HA ARG 66 10.147 11.903 34.551 531 HB2 ARG 66 HB2 ARG 66 10.814 12.201 32.018 532 HB3 ARG 66 HB1 ARG 66 11.681 11.006 32.978 533 HG2 ARG 66 HG2 ARG 66 10.155 9.240 32.152 534 HG3 ARG 66 HG1 ARG 66 9.306 10.436 31.182 535 HD2 ARG 66 HD2 ARG 66 11.124 9.063 29.979 536 HD3 ARG 66 HD1 ARG 66 11.210 10.814 29.792 537 HE ARG 66 HE ARG 66 12.766 9.981 32.067 538 HH11 ARG 66 HH11 ARG 66 13.810 8.012 30.239 539 HH12 ARG 66 HH12 ARG 66 15.012 8.866 29.330 540 HH21 ARG 66 HH21 ARG 66 13.764 12.008 30.252 541 HH22 ARG 66 HH22 ARG 66 14.986 11.189 29.337 542 H ILE 67 HN ILE 67 9.247 13.843 34.258 543 HA ILE 67 HA ILE 67 6.572 13.940 32.965 544 HB ILE 67 HB ILE 67 8.139 16.074 34.506 545 HG12 ILE 67 HG12 ILE 67 7.700 14.095 35.912 546 HG13 ILE 67 HG11 ILE 67 6.726 15.456 36.438 547 HG21 ILE 67 HG21 ILE 67 5.455 16.603 34.835 548 HG22 ILE 67 HG22 ILE 67 5.439 15.892 33.225 549 HG23 ILE 67 HG23 ILE 67 6.422 17.316 33.550 550 HD11 ILE 67 HD11 ILE 67 5.859 13.014 34.885 551 HD12 ILE 67 HD12 ILE 67 4.889 14.477 34.893 552 HD13 ILE 67 HD13 ILE 67 5.207 13.632 36.399 553 H THR 68 HN THR 68 6.386 14.659 30.968 554 HA THR 68 HA THR 68 8.466 16.536 29.911 555 HB THR 68 HB THR 68 8.837 15.074 28.130 556 HG1 THR 68 HG1 THR 68 7.102 15.532 26.963 557 HG21 THR 68 HG21 THR 68 8.567 13.297 29.905 558 HG22 THR 68 HG22 THR 68 7.877 12.743 28.383 559 HG23 THR 68 HG23 THR 68 6.823 13.328 29.666 560 H TRP 69 HN TRP 69 5.408 16.434 30.911 561 HA TRP 69 HA TRP 69 4.677 18.755 29.327 562 HB2 TRP 69 HB2 TRP 69 2.487 17.124 28.699 563 HB3 TRP 69 HB1 TRP 69 3.802 17.512 27.590 564 HD1 TRP 69 HD1 TRP 69 4.100 15.195 30.670 565 HE1 TRP 69 HE1 TRP 69 4.922 12.965 29.790 566 HE3 TRP 69 HE3 TRP 69 3.762 16.202 25.863 567 HZ2 TRP 69 HZ2 TRP 69 5.334 11.701 27.086 568 HZ3 TRP 69 HZ3 TRP 69 4.331 14.578 24.111 569 HH2 TRP 69 HH2 TRP 69 5.115 12.330 24.719 570 H ARG 70 HN ARG 70 2.476 19.477 29.854 571 HA ARG 70 HA ARG 70 1.337 18.385 32.283 572 HB2 ARG 70 HB2 ARG 70 2.995 20.170 32.947 573 HB3 ARG 70 HB1 ARG 70 2.097 21.316 31.961 574 HG2 ARG 70 HG2 ARG 70 0.100 20.196 33.510 575 HG3 ARG 70 HG1 ARG 70 1.455 20.227 34.629 576 HD2 ARG 70 HD2 ARG 70 0.736 22.661 32.981 577 HD3 ARG 70 HD1 ARG 70 -0.035 22.341 34.532 578 HE ARG 70 HE ARG 70 2.941 22.442 34.383 579 HH11 ARG 70 HH11 ARG 70 1.371 25.061 34.358 580 HH12 ARG 70 HH12 ARG 70 1.375 25.470 36.041 581 HH21 ARG 70 HH21 ARG 70 2.327 22.246 37.030 582 HH22 ARG 70 HH22 ARG 70 1.930 23.836 37.593 583 H LYS 71 HN LYS 71 -0.806 18.292 32.110 584 HA LYS 71 HA LYS 71 -2.285 18.960 29.870 585 HB2 LYS 71 HB2 LYS 71 -3.062 17.693 31.968 586 HB3 LYS 71 HB1 LYS 71 -3.361 19.260 32.710 587 HG2 LYS 71 HG2 LYS 71 -5.286 19.533 31.550 588 HG3 LYS 71 HG1 LYS 71 -4.502 19.120 30.030 589 HD2 LYS 71 HD2 LYS 71 -6.184 17.441 30.421 590 HD3 LYS 71 HD1 LYS 71 -4.629 16.684 30.743 591 HE2 LYS 71 HE2 LYS 71 -4.970 16.643 33.042 592 HE3 LYS 71 HE1 LYS 71 -6.043 18.037 33.013 593 HZ1 LYS 71 HZ1 LYS 71 -6.633 15.224 32.467 594 HZ2 LYS 71 HZ2 LYS 71 -7.536 16.408 31.651 595 HZ3 LYS 71 HZ3 LYS 71 -7.525 16.368 33.349 596 H LYS 72 HN LYS 72 -3.821 20.635 29.422 597 HA LYS 72 HA LYS 72 -2.722 23.249 29.553 598 HB2 LYS 72 HB2 LYS 72 -4.434 22.499 27.879 599 HB3 LYS 72 HB1 LYS 72 -5.637 22.398 29.159 600 HG2 LYS 72 HG2 LYS 72 -5.572 24.769 29.531 601 HG3 LYS 72 HG1 LYS 72 -4.126 24.952 28.544 602 HD2 LYS 72 HD2 LYS 72 -5.802 25.606 27.043 603 HD3 LYS 72 HD1 LYS 72 -5.627 23.899 26.651 604 HE2 LYS 72 HE2 LYS 72 -7.956 24.133 26.902 605 HE3 LYS 72 HE1 LYS 72 -7.455 23.531 28.477 606 HZ1 LYS 72 HZ1 LYS 72 -7.593 25.661 29.406 607 HZ2 LYS 72 HZ2 LYS 72 -8.999 25.491 28.470 608 HZ3 LYS 72 HZ3 LYS 72 -7.700 26.418 27.890 Start of MODEL 7 1 HA MET 1 HA MET 1 -1.826 -6.105 19.024 2 HB2 MET 1 HB2 MET 1 -3.922 -5.981 17.647 3 HB3 MET 1 HB1 MET 1 -3.893 -4.225 17.767 4 HG2 MET 1 HG2 MET 1 -2.743 -5.652 15.755 5 HG3 MET 1 HG1 MET 1 -2.294 -4.028 16.204 6 HE1 MET 1 HE1 MET 1 0.024 -4.347 14.884 7 HE2 MET 1 HE2 MET 1 -0.752 -5.870 14.445 8 HE3 MET 1 HE3 MET 1 0.918 -5.863 15.009 9 H ALA 2 HN ALA 2 -0.421 -4.904 20.480 10 HA ALA 2 HA ALA 2 0.413 -2.383 19.208 11 HB1 ALA 2 HB1 ALA 2 0.383 -1.138 21.368 12 HB2 ALA 2 HB2 ALA 2 -0.270 -2.552 22.190 13 HB3 ALA 2 HB3 ALA 2 -1.239 -1.706 20.987 14 H LYS 3 HN LYS 3 2.555 -1.803 19.693 15 HA LYS 3 HA LYS 3 4.255 -4.059 20.362 16 HB2 LYS 3 HB2 LYS 3 6.095 -2.365 20.047 17 HB3 LYS 3 HB1 LYS 3 4.952 -2.343 18.709 18 HG2 LYS 3 HG2 LYS 3 3.793 -0.419 19.689 19 HG3 LYS 3 HG1 LYS 3 4.843 -0.474 21.100 20 HD2 LYS 3 HD2 LYS 3 5.938 1.136 19.827 21 HD3 LYS 3 HD1 LYS 3 6.762 -0.318 19.276 22 HE2 LYS 3 HE2 LYS 3 5.395 -0.446 17.302 23 HE3 LYS 3 HE1 LYS 3 4.294 0.786 17.906 24 HZ1 LYS 3 HZ1 LYS 3 7.115 1.155 17.077 25 HZ2 LYS 3 HZ2 LYS 3 6.195 2.352 17.855 26 HZ3 LYS 3 HZ3 LYS 3 5.727 1.782 16.324 27 H LYS 4 HN LYS 4 5.706 -4.217 22.103 28 HA LYS 4 HA LYS 4 4.658 -2.978 24.570 29 HB2 LYS 4 HB2 LYS 4 6.961 -4.960 24.296 30 HB3 LYS 4 HB1 LYS 4 5.956 -4.679 25.713 31 HG2 LYS 4 HG2 LYS 4 5.191 -6.030 23.116 32 HG3 LYS 4 HG1 LYS 4 5.086 -6.676 24.748 33 HD2 LYS 4 HD2 LYS 4 3.408 -4.813 25.243 34 HD3 LYS 4 HD1 LYS 4 3.379 -4.499 23.509 35 HE2 LYS 4 HE2 LYS 4 2.271 -6.798 25.036 36 HE3 LYS 4 HE1 LYS 4 1.689 -6.055 23.552 37 HZ1 LYS 4 HZ1 LYS 4 2.930 -7.400 22.279 38 HZ2 LYS 4 HZ2 LYS 4 2.862 -8.422 23.634 39 HZ3 LYS 4 HZ3 LYS 4 4.229 -7.448 23.373 40 H ASP 5 HN ASP 5 5.403 -0.967 24.890 41 HA ASP 5 HA ASP 5 8.369 -0.593 24.929 42 HB2 ASP 5 HB2 ASP 5 8.045 1.670 23.936 43 HB3 ASP 5 HB1 ASP 5 7.409 0.437 22.852 44 H VAL 6 HN VAL 6 7.492 2.339 25.423 45 HA VAL 6 HA VAL 6 7.687 2.160 28.312 46 HB VAL 6 HB VAL 6 7.106 4.719 28.049 47 HG11 VAL 6 HG11 VAL 6 9.446 4.965 26.796 48 HG12 VAL 6 HG12 VAL 6 9.517 3.233 27.099 49 HG13 VAL 6 HG13 VAL 6 9.353 4.358 28.443 50 HG21 VAL 6 HG21 VAL 6 7.209 5.617 25.837 51 HG22 VAL 6 HG22 VAL 6 6.092 4.258 25.737 52 HG23 VAL 6 HG23 VAL 6 7.747 4.083 25.160 53 H ILE 7 HN ILE 7 6.168 3.294 29.757 54 HA ILE 7 HA ILE 7 3.342 2.717 28.914 55 HB ILE 7 HB ILE 7 4.604 2.711 31.705 56 HG12 ILE 7 HG12 ILE 7 3.697 0.455 29.883 57 HG13 ILE 7 HG11 ILE 7 5.348 0.798 30.384 58 HG21 ILE 7 HG21 ILE 7 1.806 1.986 30.672 59 HG22 ILE 7 HG22 ILE 7 2.200 3.339 31.728 60 HG23 ILE 7 HG23 ILE 7 2.357 1.687 32.318 61 HD11 ILE 7 HD11 ILE 7 4.247 0.635 32.819 62 HD12 ILE 7 HD12 ILE 7 4.803 -0.803 31.968 63 HD13 ILE 7 HD13 ILE 7 3.094 -0.380 31.960 64 H GLU 8 HN GLU 8 2.642 4.664 28.260 65 HA GLU 8 HA GLU 8 3.334 7.096 29.711 66 HB2 GLU 8 HB2 GLU 8 1.039 6.894 27.744 67 HB3 GLU 8 HB1 GLU 8 2.204 8.199 27.947 68 HG2 GLU 8 HG2 GLU 8 3.986 6.505 27.156 69 HG3 GLU 8 HG1 GLU 8 2.634 5.505 26.632 70 H LEU 9 HN LEU 9 2.437 7.555 31.604 71 HA LEU 9 HA LEU 9 -0.501 7.063 31.927 72 HB2 LEU 9 HB2 LEU 9 1.808 6.157 33.633 73 HB3 LEU 9 HB1 LEU 9 0.346 6.671 34.467 74 HG LEU 9 HG LEU 9 0.408 4.623 32.229 75 HD11 LEU 9 HD11 LEU 9 0.090 4.229 35.224 76 HD12 LEU 9 HD12 LEU 9 1.549 3.849 34.314 77 HD13 LEU 9 HD13 LEU 9 0.060 2.963 34.002 78 HD21 LEU 9 HD21 LEU 9 -1.697 6.044 33.726 79 HD22 LEU 9 HD22 LEU 9 -1.902 4.296 33.701 80 HD23 LEU 9 HD23 LEU 9 -1.799 5.191 32.188 81 H GLU 10 HN GLU 10 -1.567 8.442 33.375 82 HA GLU 10 HA GLU 10 -0.311 11.091 33.541 83 HB2 GLU 10 HB2 GLU 10 -3.087 10.059 34.288 84 HB3 GLU 10 HB1 GLU 10 -2.612 11.750 34.394 85 HG2 GLU 10 HG2 GLU 10 -3.269 11.929 32.228 86 HG3 GLU 10 HG1 GLU 10 -1.826 11.003 31.821 87 H GLY 11 HN GLY 11 0.213 12.178 35.394 88 HA2 GLY 11 HA2 GLY 11 -0.281 10.796 37.988 89 HA3 GLY 11 HA1 GLY 11 1.385 11.176 37.552 90 H THR 12 HN THR 12 0.818 12.340 39.750 91 HA THR 12 HA THR 12 0.270 15.162 38.996 92 HB THR 12 HB THR 12 -0.809 13.893 41.579 93 HG1 THR 12 HG1 THR 12 -2.744 14.392 39.950 94 HG21 THR 12 HG21 THR 12 -0.664 16.432 41.457 95 HG22 THR 12 HG22 THR 12 -2.339 15.888 41.438 96 HG23 THR 12 HG23 THR 12 -1.558 16.388 39.940 97 H VAL 13 HN VAL 13 1.808 16.453 39.651 98 HA VAL 13 HA VAL 13 4.058 15.465 41.128 99 HB VAL 13 HB VAL 13 3.199 18.385 41.027 100 HG11 VAL 13 HG21 VAL 13 5.830 16.897 41.229 101 HG12 VAL 13 HG22 VAL 13 5.158 18.059 42.369 102 HG13 VAL 13 HG23 VAL 13 5.750 18.603 40.803 103 HG21 VAL 13 HG11 VAL 13 4.122 18.559 38.840 104 HG22 VAL 13 HG12 VAL 13 3.073 17.149 38.782 105 HG23 VAL 13 HG13 VAL 13 4.816 16.943 38.925 106 H SER 14 HN SER 14 4.299 15.055 43.196 107 HA SER 14 HA SER 14 2.314 16.214 45.094 108 HB2 SER 14 HB2 SER 14 3.820 13.623 44.911 109 HB3 SER 14 HB1 SER 14 3.538 14.256 46.544 110 HG SER 14 HG SER 14 1.425 14.520 44.787 111 H GLU 15 HN GLU 15 5.776 15.982 44.454 112 HA GLU 15 HA GLU 15 6.175 18.147 46.414 113 HB2 GLU 15 HB2 GLU 15 6.324 16.188 47.881 114 HB3 GLU 15 HB1 GLU 15 7.419 15.381 46.764 115 HG2 GLU 15 HG2 GLU 15 8.594 16.454 48.718 116 HG3 GLU 15 HG1 GLU 15 9.144 17.058 47.156 117 H ALA 16 HN ALA 16 8.117 19.241 46.191 118 HA ALA 16 HA ALA 16 9.441 18.771 43.595 119 HB1 ALA 16 HB1 ALA 16 8.777 21.085 44.146 120 HB2 ALA 16 HB2 ALA 16 10.535 21.002 44.127 121 HB3 ALA 16 HB3 ALA 16 9.672 21.015 45.661 122 H LEU 17 HN LEU 17 11.408 17.956 43.352 123 HA LEU 17 HA LEU 17 13.094 17.577 45.795 124 HB2 LEU 17 HB2 LEU 17 12.728 15.769 43.359 125 HB3 LEU 17 HB1 LEU 17 13.905 15.472 44.629 126 HG LEU 17 HG LEU 17 10.899 15.654 45.019 127 HD11 LEU 17 HD21 LEU 17 11.672 13.576 43.876 128 HD12 LEU 17 HD22 LEU 17 11.072 13.239 45.497 129 HD13 LEU 17 HD23 LEU 17 12.806 13.291 45.194 130 HD21 LEU 17 HD11 LEU 17 13.244 15.513 46.869 131 HD22 LEU 17 HD12 LEU 17 11.808 14.588 47.298 132 HD23 LEU 17 HD13 LEU 17 11.698 16.334 47.082 133 HA PRO 18 HA PRO 18 16.298 19.712 43.713 134 HB2 PRO 18 HB2 PRO 18 18.429 17.948 44.547 135 HB3 PRO 18 HB1 PRO 18 17.969 19.483 45.288 136 HG2 PRO 18 HG2 PRO 18 17.501 16.781 46.297 137 HG3 PRO 18 HG1 PRO 18 17.177 18.315 47.104 138 HD2 PRO 18 HD1 PRO 18 15.247 16.519 45.994 139 HD3 PRO 18 HD2 PRO 18 14.949 18.136 46.658 140 H ASN 19 HN ASN 19 18.438 19.056 42.431 141 HA ASN 19 HA ASN 19 19.213 18.179 40.429 142 HB2 ASN 19 HB2 ASN 19 17.862 15.638 41.464 143 HB3 ASN 19 HB1 ASN 19 19.169 15.713 40.288 144 HD21 ASN 19 HD21 ASN 19 20.128 14.246 42.145 145 HD22 ASN 19 HD22 ASN 19 21.004 15.059 43.350 146 H ALA 20 HN ALA 20 16.753 19.507 40.204 147 HA ALA 20 HA ALA 20 14.873 19.701 38.803 148 HB1 ALA 20 HB1 ALA 20 16.586 17.973 36.956 149 HB2 ALA 20 HB2 ALA 20 16.906 19.682 37.233 150 HB3 ALA 20 HB3 ALA 20 15.397 19.179 36.478 151 H MET 21 HN MET 21 14.353 17.738 40.592 152 HA MET 21 HA MET 21 12.802 15.824 38.966 153 HB2 MET 21 HB2 MET 21 14.817 15.224 41.166 154 HB3 MET 21 HB1 MET 21 13.457 14.138 40.907 155 HG2 MET 21 HG2 MET 21 14.148 13.570 38.752 156 HG3 MET 21 HG1 MET 21 15.119 15.007 38.576 157 HE1 MET 21 HE1 MET 21 16.038 11.156 40.749 158 HE2 MET 21 HE2 MET 21 15.523 11.081 39.063 159 HE3 MET 21 HE3 MET 21 14.491 11.854 40.268 160 H PHE 22 HN PHE 22 11.202 14.722 40.384 161 HA PHE 22 HA PHE 22 10.535 15.991 42.897 162 HB2 PHE 22 HB2 PHE 22 8.163 16.640 41.880 163 HB3 PHE 22 HB1 PHE 22 9.512 17.741 41.700 164 HD1 PHE 22 HD1 PHE 22 9.618 14.712 39.642 165 HD2 PHE 22 HD2 PHE 22 8.273 18.741 39.793 166 HE1 PHE 22 HE1 PHE 22 9.297 14.693 37.225 167 HE2 PHE 22 HE2 PHE 22 7.938 18.702 37.370 168 HZ PHE 22 HZ PHE 22 8.446 16.685 36.097 169 H LYS 23 HN LYS 23 8.444 15.191 43.795 170 HA LYS 23 HA LYS 23 8.197 12.307 43.105 171 HB2 LYS 23 HB2 LYS 23 8.286 13.696 45.553 172 HB3 LYS 23 HB1 LYS 23 6.572 13.343 45.363 173 HG2 LYS 23 HG2 LYS 23 7.096 10.956 44.991 174 HG3 LYS 23 HG1 LYS 23 8.813 11.301 45.156 175 HD2 LYS 23 HD2 LYS 23 8.187 12.305 47.465 176 HD3 LYS 23 HD1 LYS 23 6.659 11.452 47.270 177 HE2 LYS 23 HE2 LYS 23 7.795 9.322 47.081 178 HE3 LYS 23 HE1 LYS 23 9.365 10.108 47.021 179 HZ1 LYS 23 HZ1 LYS 23 7.623 9.610 49.296 180 HZ2 LYS 23 HZ2 LYS 23 8.493 11.069 49.306 181 HZ3 LYS 23 HZ3 LYS 23 9.318 9.589 49.196 182 H VAL 24 HN VAL 24 6.471 11.549 42.048 183 HA VAL 24 HA VAL 24 4.111 13.377 41.761 184 HB VAL 24 HB VAL 24 5.422 11.435 39.840 185 HG11 VAL 24 HG11 VAL 24 3.136 10.938 39.502 186 HG12 VAL 24 HG12 VAL 24 3.445 12.212 38.326 187 HG13 VAL 24 HG13 VAL 24 2.637 12.593 39.844 188 HG21 VAL 24 HG21 VAL 24 5.958 13.319 38.611 189 HG22 VAL 24 HG22 VAL 24 5.928 14.042 40.215 190 HG23 VAL 24 HG23 VAL 24 4.535 14.202 39.151 191 H LYS 25 HN LYS 25 2.115 12.598 42.075 192 HA LYS 25 HA LYS 25 1.946 9.798 43.097 193 HB2 LYS 25 HB2 LYS 25 1.163 11.317 44.768 194 HB3 LYS 25 HB1 LYS 25 0.336 12.322 43.583 195 HG2 LYS 25 HG2 LYS 25 -1.406 10.737 43.283 196 HG3 LYS 25 HG1 LYS 25 -0.472 9.446 44.029 197 HD2 LYS 25 HD2 LYS 25 -2.190 10.274 45.595 198 HD3 LYS 25 HD1 LYS 25 -0.580 10.639 46.205 199 HE2 LYS 25 HE2 LYS 25 -0.908 12.883 46.034 200 HE3 LYS 25 HE1 LYS 25 -1.639 12.737 44.443 201 HZ1 LYS 25 HZ1 LYS 25 -3.700 12.034 45.506 202 HZ2 LYS 25 HZ2 LYS 25 -3.221 13.580 46.020 203 HZ3 LYS 25 HZ3 LYS 25 -2.989 12.239 47.035 204 H LEU 26 HN LEU 26 1.001 8.333 41.843 205 HA LEU 26 HA LEU 26 -0.377 9.087 39.423 206 HB2 LEU 26 HB2 LEU 26 -0.078 6.391 40.825 207 HB3 LEU 26 HB1 LEU 26 -0.618 6.615 39.165 208 HG LEU 26 HG LEU 26 1.630 7.995 38.957 209 HD11 LEU 26 HD21 LEU 26 2.008 6.288 41.408 210 HD12 LEU 26 HD22 LEU 26 2.490 7.960 41.143 211 HD13 LEU 26 HD23 LEU 26 3.372 6.654 40.361 212 HD21 LEU 26 HD11 LEU 26 1.782 4.977 39.127 213 HD22 LEU 26 HD12 LEU 26 2.663 6.039 38.033 214 HD23 LEU 26 HD13 LEU 26 0.930 5.805 37.827 215 H GLU 27 HN GLU 27 -2.496 7.942 38.916 216 HA GLU 27 HA GLU 27 -4.479 8.914 40.784 217 HB2 GLU 27 HB2 GLU 27 -4.403 8.079 38.060 218 HB3 GLU 27 HB1 GLU 27 -5.519 6.972 38.852 219 HG2 GLU 27 HG2 GLU 27 -6.600 9.056 39.900 220 HG3 GLU 27 HG1 GLU 27 -5.664 9.994 38.739 221 H ASN 28 HN ASN 28 -2.720 6.022 40.534 222 HA ASN 28 HA ASN 28 -4.729 4.267 41.689 223 HB2 ASN 28 HB2 ASN 28 -2.452 3.764 40.344 224 HB3 ASN 28 HB1 ASN 28 -1.774 3.723 41.970 225 HD21 ASN 28 HD21 ASN 28 -4.838 2.548 40.455 226 HD22 ASN 28 HD22 ASN 28 -4.745 0.993 41.126 227 H GLY 29 HN GLY 29 -2.613 6.638 42.933 228 HA2 GLY 29 HA2 GLY 29 -3.010 7.394 45.251 229 HA3 GLY 29 HA1 GLY 29 -3.244 5.715 45.710 230 H HIS 30 HN HIS 30 -0.786 5.230 43.787 231 HA HIS 30 HA HIS 30 1.155 5.496 46.011 232 HB2 HIS 30 HB2 HIS 30 1.515 4.285 43.231 233 HB3 HIS 30 HB1 HIS 30 2.575 4.049 44.622 234 HD1 HIS 30 HD1 HIS 30 -0.614 2.981 43.307 235 HD2 HIS 30 HD2 HIS 30 1.509 2.467 46.710 236 HE1 HIS 30 HE1 HIS 30 -1.758 1.216 44.470 237 H GLU 31 HN GLU 31 3.502 5.949 45.118 238 HA GLU 31 HA GLU 31 3.408 8.258 43.299 239 HB2 GLU 31 HB2 GLU 31 4.782 9.593 44.847 240 HB3 GLU 31 HB1 GLU 31 3.324 9.072 45.680 241 HG2 GLU 31 HG2 GLU 31 4.719 7.041 46.463 242 HG3 GLU 31 HG1 GLU 31 6.123 7.966 45.940 243 H ILE 32 HN ILE 32 5.288 8.759 42.234 244 HA ILE 32 HA ILE 32 7.520 6.831 42.536 245 HB ILE 32 HB ILE 32 6.155 7.611 39.979 246 HG12 ILE 32 HG12 ILE 32 5.054 5.866 41.513 247 HG13 ILE 32 HG11 ILE 32 5.309 5.411 39.837 248 HG21 ILE 32 HG21 ILE 32 8.475 7.334 39.438 249 HG22 ILE 32 HG22 ILE 32 7.768 5.771 39.069 250 HG23 ILE 32 HG23 ILE 32 8.656 6.001 40.573 251 HD11 ILE 32 HD11 ILE 32 6.012 3.639 41.489 252 HD12 ILE 32 HD12 ILE 32 7.246 4.740 42.077 253 HD13 ILE 32 HD13 ILE 32 7.311 4.153 40.425 254 H LEU 33 HN LEU 33 9.398 7.570 41.015 255 HA LEU 33 HA LEU 33 9.744 10.456 41.593 256 HB2 LEU 33 HB2 LEU 33 11.590 8.112 41.080 257 HB3 LEU 33 HB1 LEU 33 12.187 9.744 40.800 258 HG LEU 33 HG LEU 33 11.775 10.380 43.078 259 HD11 LEU 33 HD21 LEU 33 10.741 8.602 44.638 260 HD12 LEU 33 HD22 LEU 33 10.219 7.787 43.168 261 HD13 LEU 33 HD23 LEU 33 9.642 9.412 43.526 262 HD21 LEU 33 HD11 LEU 33 13.006 8.545 44.344 263 HD22 LEU 33 HD12 LEU 33 13.818 9.115 42.889 264 HD23 LEU 33 HD13 LEU 33 12.941 7.589 42.867 265 H CYS 34 HN CYS 34 9.969 11.939 40.001 266 HA CYS 34 HA CYS 34 10.147 10.898 37.198 267 HB2 CYS 34 HB2 CYS 34 8.305 13.064 38.269 268 HB3 CYS 34 HB1 CYS 34 8.512 12.697 36.579 269 HG CYS 34 HG1 CYS 34 6.500 11.331 36.975 270 H HIS 35 HN HIS 35 11.045 12.294 35.668 271 HA HIS 35 HA HIS 35 12.615 14.571 36.846 272 HB2 HIS 35 HB2 HIS 35 13.675 12.281 35.787 273 HB3 HIS 35 HB1 HIS 35 13.506 13.218 34.308 274 HD1 HIS 35 HD1 HIS 35 15.540 13.000 37.255 275 HD2 HIS 35 HD2 HIS 35 14.954 15.731 34.316 276 HE1 HIS 35 HE1 HIS 35 17.430 14.509 37.428 277 H ILE 36 HN ILE 36 12.921 16.415 35.501 278 HA ILE 36 HA ILE 36 10.700 16.785 33.599 279 HB ILE 36 HB ILE 36 12.604 18.622 35.071 280 HG12 ILE 36 HG12 ILE 36 9.594 18.733 34.806 281 HG13 ILE 36 HG11 ILE 36 10.394 17.680 35.961 282 HG21 ILE 36 HG21 ILE 36 11.044 20.400 33.754 283 HG22 ILE 36 HG22 ILE 36 11.018 19.124 32.544 284 HG23 ILE 36 HG23 ILE 36 12.551 19.829 33.044 285 HD11 ILE 36 HD11 ILE 36 9.744 20.298 36.468 286 HD12 ILE 36 HD12 ILE 36 11.425 20.439 35.963 287 HD13 ILE 36 HD13 ILE 36 10.997 19.404 37.322 288 H SER 37 HN SER 37 10.935 17.468 31.503 289 HA SER 37 HA SER 37 13.566 16.846 30.313 290 HB2 SER 37 HB2 SER 37 10.716 16.998 29.276 291 HB3 SER 37 HB1 SER 37 12.075 17.064 28.136 292 HG SER 37 HG SER 37 11.108 14.953 29.482 293 H GLY 38 HN GLY 38 14.788 18.342 29.297 294 HA2 GLY 38 HA2 GLY 38 14.342 21.116 29.812 295 HA3 GLY 38 HA1 GLY 38 15.538 20.480 28.690 296 H LYS 39 HN LYS 39 12.956 19.067 27.518 297 HA LYS 39 HA LYS 39 12.668 20.951 25.368 298 HB2 LYS 39 HB2 LYS 39 12.418 18.415 25.196 299 HB3 LYS 39 HB1 LYS 39 10.873 18.577 26.026 300 HG2 LYS 39 HG2 LYS 39 10.866 20.509 23.947 301 HG3 LYS 39 HG1 LYS 39 11.482 19.022 23.235 302 HD2 LYS 39 HD2 LYS 39 9.507 17.842 24.390 303 HD3 LYS 39 HD1 LYS 39 8.851 19.451 24.667 304 HE2 LYS 39 HE2 LYS 39 9.494 18.163 22.000 305 HE3 LYS 39 HE1 LYS 39 7.914 18.661 22.591 306 HZ1 LYS 39 HZ1 LYS 39 8.650 20.951 22.562 307 HZ2 LYS 39 HZ2 LYS 39 8.822 20.250 21.025 308 HZ3 LYS 39 HZ3 LYS 39 10.186 20.476 22.011 309 H LEU 40 HN LEU 40 10.200 19.682 27.608 310 HA LEU 40 HA LEU 40 8.238 21.569 26.913 311 HB2 LEU 40 HB2 LEU 40 7.087 20.807 28.841 312 HB3 LEU 40 HB1 LEU 40 8.209 19.481 28.595 313 HG LEU 40 HG LEU 40 9.722 21.165 30.137 314 HD11 LEU 40 HD11 LEU 40 7.922 22.747 30.538 315 HD12 LEU 40 HD12 LEU 40 8.142 21.817 32.014 316 HD13 LEU 40 HD13 LEU 40 6.804 21.447 30.932 317 HD21 LEU 40 HD21 LEU 40 9.549 18.830 30.615 318 HD22 LEU 40 HD22 LEU 40 7.809 18.940 30.868 319 HD23 LEU 40 HD23 LEU 40 8.917 19.645 32.042 320 H ARG 41 HN ARG 41 11.167 21.925 28.573 321 HA ARG 41 HA ARG 41 10.592 24.237 30.143 322 HB2 ARG 41 HB2 ARG 41 12.759 22.598 29.789 323 HB3 ARG 41 HB1 ARG 41 13.275 23.979 28.838 324 HG2 ARG 41 HG2 ARG 41 12.415 25.315 30.980 325 HG3 ARG 41 HG1 ARG 41 12.749 23.782 31.773 326 HD2 ARG 41 HD2 ARG 41 15.053 23.831 31.134 327 HD3 ARG 41 HD1 ARG 41 14.776 25.112 29.954 328 HE ARG 41 HE ARG 41 14.018 26.231 32.392 329 HH11 ARG 41 HH11 ARG 41 16.152 24.319 33.388 330 HH12 ARG 41 HH12 ARG 41 17.564 25.321 33.350 331 HH21 ARG 41 HH21 ARG 41 16.047 27.725 31.296 332 HH22 ARG 41 HH22 ARG 41 17.504 27.300 32.132 333 H MET 42 HN MET 42 12.090 23.875 26.941 334 HA MET 42 HA MET 42 12.152 26.680 26.397 335 HB2 MET 42 HB2 MET 42 13.489 24.936 25.165 336 HB3 MET 42 HB1 MET 42 12.000 24.343 24.434 337 HG2 MET 42 HG2 MET 42 13.180 25.887 22.931 338 HG3 MET 42 HG1 MET 42 11.608 26.489 23.380 339 HE1 MET 42 HE1 MET 42 15.706 28.115 23.910 340 HE2 MET 42 HE2 MET 42 15.182 26.456 23.623 341 HE3 MET 42 HE3 MET 42 15.336 27.059 25.272 342 H ASN 43 HN ASN 43 9.633 24.281 26.136 343 HA ASN 43 HA ASN 43 7.995 25.667 24.225 344 HB2 ASN 43 HB2 ASN 43 7.779 23.239 25.227 345 HB3 ASN 43 HB1 ASN 43 6.882 24.020 26.526 346 HD21 ASN 43 HD21 ASN 43 6.916 23.591 22.970 347 HD22 ASN 43 HD22 ASN 43 5.253 23.855 22.762 348 H PHE 44 HN PHE 44 8.973 26.623 27.237 349 HA PHE 44 HA PHE 44 8.202 28.243 28.741 350 HB2 PHE 44 HB2 PHE 44 8.275 29.423 26.396 351 HB3 PHE 44 HB1 PHE 44 6.521 29.256 26.405 352 HD1 PHE 44 HD1 PHE 44 5.249 30.942 27.420 353 HD2 PHE 44 HD2 PHE 44 9.310 30.452 28.616 354 HE1 PHE 44 HE1 PHE 44 5.070 32.922 28.858 355 HE2 PHE 44 HE2 PHE 44 9.122 32.436 30.052 356 HZ PHE 44 HZ PHE 44 7.003 33.672 30.171 357 H ILE 45 HN ILE 45 6.972 26.810 30.016 358 HA ILE 45 HA ILE 45 4.055 27.221 29.764 359 HB ILE 45 HB ILE 45 5.322 24.538 30.453 360 HG12 ILE 45 HG12 ILE 45 4.082 25.316 27.798 361 HG13 ILE 45 HG11 ILE 45 5.817 25.302 28.088 362 HG21 ILE 45 HG21 ILE 45 2.547 24.932 29.324 363 HG22 ILE 45 HG22 ILE 45 2.811 25.389 31.002 364 HG23 ILE 45 HG23 ILE 45 3.107 23.733 30.485 365 HD11 ILE 45 HD11 ILE 45 4.935 23.160 27.083 366 HD12 ILE 45 HD12 ILE 45 4.023 22.905 28.567 367 HD13 ILE 45 HD13 ILE 45 5.783 22.936 28.610 368 H ARG 46 HN ARG 46 2.996 27.412 31.705 369 HA ARG 46 HA ARG 46 4.635 27.930 34.031 370 HB2 ARG 46 HB2 ARG 46 2.363 28.271 35.133 371 HB3 ARG 46 HB1 ARG 46 2.580 29.223 33.669 372 HG2 ARG 46 HG2 ARG 46 1.552 27.027 32.534 373 HG3 ARG 46 HG1 ARG 46 0.848 26.826 34.132 374 HD2 ARG 46 HD2 ARG 46 -0.051 29.151 33.999 375 HD3 ARG 46 HD1 ARG 46 0.601 29.287 32.367 376 HE ARG 46 HE ARG 46 -0.970 26.987 32.292 377 HH11 ARG 46 HH11 ARG 46 -3.226 27.143 33.236 378 HH12 ARG 46 HH12 ARG 46 -4.089 28.570 32.769 379 HH21 ARG 46 HH21 ARG 46 -1.187 30.198 31.661 380 HH22 ARG 46 HH22 ARG 46 -2.903 30.346 31.852 381 H ILE 47 HN ILE 47 5.066 26.642 35.738 382 HA ILE 47 HA ILE 47 3.608 24.032 35.926 383 HB ILE 47 HB ILE 47 6.590 24.437 36.425 384 HG12 ILE 47 HG12 ILE 47 5.327 23.094 34.021 385 HG13 ILE 47 HG11 ILE 47 5.826 24.781 34.008 386 HG21 ILE 47 HG21 ILE 47 5.013 21.877 35.883 387 HG22 ILE 47 HG22 ILE 47 5.242 22.498 37.514 388 HG23 ILE 47 HG23 ILE 47 6.636 22.012 36.553 389 HD11 ILE 47 HD11 ILE 47 7.774 23.763 33.239 390 HD12 ILE 47 HD12 ILE 47 7.515 22.308 34.195 391 HD13 ILE 47 HD13 ILE 47 8.092 23.778 34.970 392 H LEU 48 HN LEU 48 3.327 23.197 37.970 393 HA LEU 48 HA LEU 48 4.485 24.501 40.299 394 HB2 LEU 48 HB2 LEU 48 2.345 25.311 41.205 395 HB3 LEU 48 HB1 LEU 48 2.574 26.013 39.610 396 HG LEU 48 HG LEU 48 0.960 23.522 40.171 397 HD11 LEU 48 HD11 LEU 48 -0.197 25.414 41.118 398 HD12 LEU 48 HD12 LEU 48 -0.973 25.046 39.582 399 HD13 LEU 48 HD13 LEU 48 0.149 26.398 39.699 400 HD21 LEU 48 HD21 LEU 48 1.664 25.092 37.706 401 HD22 LEU 48 HD22 LEU 48 0.115 24.256 37.779 402 HD23 LEU 48 HD23 LEU 48 1.615 23.345 37.924 403 H GLU 49 HN GLU 49 4.194 23.294 42.195 404 HA GLU 49 HA GLU 49 3.829 20.525 41.859 405 HB2 GLU 49 HB2 GLU 49 3.798 20.534 44.427 406 HB3 GLU 49 HB1 GLU 49 5.190 21.334 43.706 407 HG2 GLU 49 HG2 GLU 49 3.995 23.522 43.914 408 HG3 GLU 49 HG1 GLU 49 2.667 22.693 44.722 409 H GLY 50 HN GLY 50 2.218 19.126 42.639 410 HA2 GLY 50 HA2 GLY 50 0.033 18.582 43.423 411 HA3 GLY 50 HA1 GLY 50 -0.325 20.301 43.550 412 H ASP 51 HN ASP 51 0.959 20.339 40.688 413 HA ASP 51 HA ASP 51 -1.622 20.202 39.346 414 HB2 ASP 51 HB2 ASP 51 0.319 21.876 38.898 415 HB3 ASP 51 HB1 ASP 51 1.078 20.569 38.000 416 H LYS 52 HN LYS 52 -1.892 19.002 37.328 417 HA LYS 52 HA LYS 52 -0.861 16.316 37.640 418 HB2 LYS 52 HB2 LYS 52 -2.953 17.454 35.748 419 HB3 LYS 52 HB1 LYS 52 -2.604 15.741 35.937 420 HG2 LYS 52 HG2 LYS 52 -3.344 15.774 38.242 421 HG3 LYS 52 HG1 LYS 52 -3.480 17.528 38.225 422 HD2 LYS 52 HD2 LYS 52 -5.663 17.159 37.692 423 HD3 LYS 52 HD1 LYS 52 -5.053 16.822 36.077 424 HE2 LYS 52 HE2 LYS 52 -5.519 14.783 38.280 425 HE3 LYS 52 HE1 LYS 52 -6.479 14.970 36.820 426 HZ1 LYS 52 HZ1 LYS 52 -5.041 13.234 36.354 427 HZ2 LYS 52 HZ2 LYS 52 -3.708 13.998 37.078 428 HZ3 LYS 52 HZ3 LYS 52 -4.309 14.566 35.596 429 H VAL 53 HN VAL 53 0.040 15.111 36.046 430 HA VAL 53 HA VAL 53 0.932 16.495 33.591 431 HB VAL 53 HB VAL 53 3.318 15.901 34.200 432 HG11 VAL 53 HG21 VAL 53 2.036 17.701 36.242 433 HG12 VAL 53 HG22 VAL 53 2.246 18.172 34.559 434 HG13 VAL 53 HG23 VAL 53 3.652 17.836 35.561 435 HG21 VAL 53 HG11 VAL 53 3.290 14.280 35.855 436 HG22 VAL 53 HG12 VAL 53 1.907 14.995 36.670 437 HG23 VAL 53 HG13 VAL 53 3.500 15.714 36.850 438 H ASN 54 HN ASN 54 2.259 14.995 32.219 439 HA ASN 54 HA ASN 54 1.087 12.284 32.416 440 HB2 ASN 54 HB2 ASN 54 1.902 14.068 30.265 441 HB3 ASN 54 HB1 ASN 54 2.722 12.519 30.094 442 HD21 ASN 54 HD21 ASN 54 0.903 10.661 30.897 443 HD22 ASN 54 HD22 ASN 54 -0.527 10.759 29.988 444 H VAL 55 HN VAL 55 2.226 10.681 33.254 445 HA VAL 55 HA VAL 55 5.153 11.045 33.517 446 HB VAL 55 HB VAL 55 3.431 8.958 34.892 447 HG11 VAL 55 HG11 VAL 55 6.145 10.198 35.377 448 HG12 VAL 55 HG12 VAL 55 5.752 8.496 35.156 449 HG13 VAL 55 HG13 VAL 55 5.288 9.321 36.641 450 HG21 VAL 55 HG21 VAL 55 3.967 11.831 35.683 451 HG22 VAL 55 HG22 VAL 55 3.414 10.607 36.822 452 HG23 VAL 55 HG23 VAL 55 2.401 11.060 35.454 453 H GLU 56 HN GLU 56 6.411 9.981 32.225 454 HA GLU 56 HA GLU 56 5.383 7.532 30.883 455 HB2 GLU 56 HB2 GLU 56 6.356 9.475 29.519 456 HB3 GLU 56 HB1 GLU 56 7.906 9.160 30.289 457 HG2 GLU 56 HG2 GLU 56 7.687 6.753 29.461 458 HG3 GLU 56 HG1 GLU 56 6.328 7.305 28.484 459 H LEU 57 HN LEU 57 6.038 5.648 31.682 460 HA LEU 57 HA LEU 57 8.363 5.633 33.535 461 HB2 LEU 57 HB2 LEU 57 6.362 3.420 32.851 462 HB3 LEU 57 HB1 LEU 57 7.520 3.390 34.174 463 HG LEU 57 HG LEU 57 5.637 5.713 34.017 464 HD11 LEU 57 HD11 LEU 57 4.899 2.948 35.037 465 HD12 LEU 57 HD12 LEU 57 4.186 3.750 33.641 466 HD13 LEU 57 HD13 LEU 57 3.932 4.403 35.256 467 HD21 LEU 57 HD21 LEU 57 7.297 5.731 35.769 468 HD22 LEU 57 HD22 LEU 57 6.945 4.060 36.200 469 HD23 LEU 57 HD23 LEU 57 5.763 5.323 36.532 470 H SER 58 HN SER 58 10.190 4.456 33.213 471 HA SER 58 HA SER 58 10.710 3.660 30.427 472 HB2 SER 58 HB2 SER 58 12.405 3.806 32.951 473 HB3 SER 58 HB1 SER 58 13.052 3.197 31.415 474 HG SER 58 HG SER 58 12.634 5.720 32.145 475 HA PRO 59 HA PRO 59 9.749 -0.626 31.249 476 HB2 PRO 59 HB2 PRO 59 11.077 -1.524 28.861 477 HB3 PRO 59 HB1 PRO 59 9.348 -1.230 29.057 478 HG2 PRO 59 HG2 PRO 59 11.307 0.390 27.601 479 HG3 PRO 59 HG1 PRO 59 9.552 0.571 27.646 480 HD2 PRO 59 HD1 PRO 59 11.489 2.233 28.951 481 HD3 PRO 59 HD2 PRO 59 9.726 2.317 29.096 482 H TYR 60 HN TYR 60 12.817 0.763 30.872 483 HA TYR 60 HA TYR 60 14.212 -1.692 31.592 484 HB2 TYR 60 HB2 TYR 60 15.093 0.997 30.499 485 HB3 TYR 60 HB1 TYR 60 16.261 -0.121 31.197 486 HD1 TYR 60 HD1 TYR 60 16.404 -2.478 30.217 487 HD2 TYR 60 HD2 TYR 60 14.278 0.659 28.287 488 HE1 TYR 60 HE1 TYR 60 16.461 -3.735 28.113 489 HE2 TYR 60 HE2 TYR 60 14.339 -0.594 26.182 490 HH TYR 60 HH TYR 60 16.286 -2.798 25.405 491 H ASP 61 HN ASP 61 12.833 1.031 32.829 492 HA ASP 61 HA ASP 61 14.113 0.554 35.420 493 HB2 ASP 61 HB2 ASP 61 14.304 3.077 33.781 494 HB3 ASP 61 HB1 ASP 61 14.136 3.249 35.525 495 H LEU 62 HN LEU 62 11.880 -0.352 35.533 496 HA LEU 62 HA LEU 62 9.627 1.443 35.493 497 HB2 LEU 62 HB2 LEU 62 10.009 -1.295 36.790 498 HB3 LEU 62 HB1 LEU 62 8.455 -0.482 36.633 499 HG LEU 62 HG LEU 62 10.119 -0.797 34.165 500 HD11 LEU 62 HD21 LEU 62 10.251 -3.029 35.147 501 HD12 LEU 62 HD22 LEU 62 9.088 -3.061 33.826 502 HD13 LEU 62 HD23 LEU 62 8.525 -3.013 35.494 503 HD21 LEU 62 HD11 LEU 62 7.825 -1.095 33.202 504 HD22 LEU 62 HD12 LEU 62 7.999 0.425 34.074 505 HD23 LEU 62 HD13 LEU 62 7.157 -0.928 34.823 506 H THR 63 HN THR 63 11.987 2.048 37.167 507 HA THR 63 HA THR 63 10.675 2.200 39.841 508 HB THR 63 HB THR 63 13.596 2.848 39.173 509 HG1 THR 63 HG1 THR 63 13.930 0.665 39.613 510 HG21 THR 63 HG21 THR 63 13.927 2.563 41.517 511 HG22 THR 63 HG22 THR 63 12.535 1.496 41.673 512 HG23 THR 63 HG23 THR 63 12.300 3.235 41.531 513 H ARG 64 HN ARG 64 11.708 4.048 37.133 514 HA ARG 64 HA ARG 64 10.757 6.524 38.524 515 HB2 ARG 64 HB2 ARG 64 13.358 6.174 36.933 516 HB3 ARG 64 HB1 ARG 64 12.699 7.739 37.386 517 HG2 ARG 64 HG2 ARG 64 13.108 7.403 39.662 518 HG3 ARG 64 HG1 ARG 64 13.110 5.652 39.507 519 HD2 ARG 64 HD2 ARG 64 15.407 6.278 39.792 520 HD3 ARG 64 HD1 ARG 64 15.222 5.929 38.074 521 HE ARG 64 HE ARG 64 15.063 8.734 39.094 522 HH11 ARG 64 HH11 ARG 64 17.088 6.427 37.752 523 HH12 ARG 64 HH12 ARG 64 17.636 7.404 36.430 524 HH21 ARG 64 HH21 ARG 64 15.347 9.970 37.116 525 HH22 ARG 64 HH22 ARG 64 16.623 9.463 36.061 526 H GLY 65 HN GLY 65 10.203 8.213 37.074 527 HA2 GLY 65 HA2 GLY 65 9.730 7.408 34.241 528 HA3 GLY 65 HA1 GLY 65 8.383 8.005 35.210 529 H ARG 66 HN ARG 66 8.276 9.757 33.581 530 HA ARG 66 HA ARG 66 9.740 12.070 34.578 531 HB2 ARG 66 HB2 ARG 66 10.752 12.496 32.194 532 HB3 ARG 66 HB1 ARG 66 11.563 11.330 33.234 533 HG2 ARG 66 HG2 ARG 66 10.856 9.517 31.985 534 HG3 ARG 66 HG1 ARG 66 9.373 10.318 31.472 535 HD2 ARG 66 HD2 ARG 66 10.592 11.714 29.910 536 HD3 ARG 66 HD1 ARG 66 12.138 11.133 30.524 537 HE ARG 66 HE ARG 66 11.084 8.807 29.704 538 HH11 ARG 66 HH11 ARG 66 12.467 8.698 27.652 539 HH12 ARG 66 HH12 ARG 66 11.755 9.520 26.303 540 HH21 ARG 66 HH21 ARG 66 9.495 11.288 28.313 541 HH22 ARG 66 HH22 ARG 66 10.029 11.025 26.686 542 H ILE 67 HN ILE 67 8.762 13.952 34.077 543 HA ILE 67 HA ILE 67 6.285 13.762 32.481 544 HB ILE 67 HB ILE 67 7.460 15.752 34.432 545 HG12 ILE 67 HG12 ILE 67 5.117 15.446 35.380 546 HG13 ILE 67 HG11 ILE 67 4.909 14.150 34.212 547 HG21 ILE 67 HG21 ILE 67 5.266 17.084 33.874 548 HG22 ILE 67 HG22 ILE 67 5.251 16.164 32.372 549 HG23 ILE 67 HG23 ILE 67 6.601 17.233 32.735 550 HD11 ILE 67 HD11 ILE 67 7.128 14.316 36.256 551 HD12 ILE 67 HD12 ILE 67 6.864 12.993 35.125 552 HD13 ILE 67 HD13 ILE 67 5.695 13.307 36.404 553 H THR 68 HN THR 68 6.154 14.472 30.502 554 HA THR 68 HA THR 68 8.152 16.482 29.574 555 HB THR 68 HB THR 68 8.471 15.231 27.524 556 HG1 THR 68 HG1 THR 68 6.139 15.035 27.347 557 HG21 THR 68 HG21 THR 68 9.107 13.865 29.739 558 HG22 THR 68 HG22 THR 68 9.031 12.991 28.213 559 HG23 THR 68 HG23 THR 68 7.681 12.909 29.342 560 H TRP 69 HN TRP 69 5.077 16.103 30.353 561 HA TRP 69 HA TRP 69 4.215 18.298 28.654 562 HB2 TRP 69 HB2 TRP 69 2.186 16.534 27.990 563 HB3 TRP 69 HB1 TRP 69 3.557 16.882 26.940 564 HD1 TRP 69 HD1 TRP 69 3.968 14.799 30.162 565 HE1 TRP 69 HE1 TRP 69 4.716 12.494 29.406 566 HE3 TRP 69 HE3 TRP 69 3.281 15.421 25.338 567 HZ2 TRP 69 HZ2 TRP 69 4.889 11.001 26.789 568 HZ3 TRP 69 HZ3 TRP 69 3.663 13.646 23.682 569 HH2 TRP 69 HH2 TRP 69 4.465 11.437 24.407 570 H ARG 70 HN ARG 70 2.440 19.303 29.485 571 HA ARG 70 HA ARG 70 1.093 18.068 31.773 572 HB2 ARG 70 HB2 ARG 70 2.662 19.913 32.449 573 HB3 ARG 70 HB1 ARG 70 1.790 21.008 31.382 574 HG2 ARG 70 HG2 ARG 70 -0.277 19.972 32.848 575 HG3 ARG 70 HG1 ARG 70 1.015 19.952 34.044 576 HD2 ARG 70 HD2 ARG 70 1.488 22.358 33.505 577 HD3 ARG 70 HD1 ARG 70 0.099 22.355 32.421 578 HE ARG 70 HE ARG 70 -0.099 21.937 35.379 579 HH11 ARG 70 HH11 ARG 70 -1.635 22.091 32.367 580 HH12 ARG 70 HH12 ARG 70 -2.997 23.011 32.913 581 HH21 ARG 70 HH21 ARG 70 -1.669 23.447 36.128 582 HH22 ARG 70 HH22 ARG 70 -3.015 23.804 35.096 583 H LYS 71 HN LYS 71 -1.063 17.948 31.598 584 HA LYS 71 HA LYS 71 -2.532 18.451 29.323 585 HB2 LYS 71 HB2 LYS 71 -3.273 18.567 32.262 586 HB3 LYS 71 HB1 LYS 71 -4.491 18.932 31.046 587 HG2 LYS 71 HG2 LYS 71 -2.811 16.455 30.750 588 HG3 LYS 71 HG1 LYS 71 -4.171 16.443 31.867 589 HD2 LYS 71 HD2 LYS 71 -5.716 17.041 30.095 590 HD3 LYS 71 HD1 LYS 71 -4.391 17.308 28.966 591 HE2 LYS 71 HE2 LYS 71 -3.823 14.772 29.702 592 HE3 LYS 71 HE1 LYS 71 -5.567 14.747 29.937 593 HZ1 LYS 71 HZ1 LYS 71 -4.055 15.278 27.461 594 HZ2 LYS 71 HZ2 LYS 71 -5.675 15.761 27.627 595 HZ3 LYS 71 HZ3 LYS 71 -5.263 14.117 27.742 596 H LYS 72 HN LYS 72 -2.585 20.237 28.140 597 HA LYS 72 HA LYS 72 -2.189 22.879 29.265 598 HB2 LYS 72 HB2 LYS 72 -3.308 22.106 26.524 599 HB3 LYS 72 HB1 LYS 72 -2.571 23.646 26.954 600 HG2 LYS 72 HG2 LYS 72 -1.031 21.081 27.315 601 HG3 LYS 72 HG1 LYS 72 -1.109 21.849 25.734 602 HD2 LYS 72 HD2 LYS 72 -0.149 23.895 26.598 603 HD3 LYS 72 HD1 LYS 72 -0.276 23.315 28.256 604 HE2 LYS 72 HE2 LYS 72 2.033 23.054 27.444 605 HE3 LYS 72 HE1 LYS 72 1.307 21.475 27.714 606 HZ1 LYS 72 HZ1 LYS 72 0.785 22.359 25.079 607 HZ2 LYS 72 HZ2 LYS 72 1.597 20.961 25.600 608 HZ3 LYS 72 HZ3 LYS 72 2.454 22.412 25.390 Start of MODEL 8 1 HA MET 1 HA MET 1 19.813 1.622 23.556 2 HB2 MET 1 HB2 MET 1 19.223 -0.340 25.041 3 HB3 MET 1 HB1 MET 1 19.950 0.984 25.944 4 HG2 MET 1 HG2 MET 1 17.215 1.568 25.907 5 HG3 MET 1 HG1 MET 1 17.272 -0.159 26.136 6 HE1 MET 1 HE1 MET 1 19.122 -1.096 27.500 7 HE2 MET 1 HE2 MET 1 17.945 -1.272 28.801 8 HE3 MET 1 HE3 MET 1 19.529 -0.572 29.134 9 H ALA 2 HN ALA 2 18.478 1.993 21.710 10 HA ALA 2 HA ALA 2 16.967 1.145 20.132 11 HB1 ALA 2 HB1 ALA 2 17.394 -0.972 21.897 12 HB2 ALA 2 HB2 ALA 2 16.429 -1.078 20.430 13 HB3 ALA 2 HB3 ALA 2 15.645 -0.771 21.975 14 H LYS 3 HN LYS 3 15.992 2.030 23.329 15 HA LYS 3 HA LYS 3 14.028 3.021 24.138 16 HB2 LYS 3 HB2 LYS 3 14.361 3.961 21.286 17 HB3 LYS 3 HB1 LYS 3 12.860 4.360 22.112 18 HG2 LYS 3 HG2 LYS 3 15.487 4.832 23.497 19 HG3 LYS 3 HG1 LYS 3 14.916 5.993 22.303 20 HD2 LYS 3 HD2 LYS 3 12.797 6.239 23.534 21 HD3 LYS 3 HD1 LYS 3 13.332 5.048 24.715 22 HE2 LYS 3 HE2 LYS 3 13.666 7.591 25.248 23 HE3 LYS 3 HE1 LYS 3 14.978 6.472 25.597 24 HZ1 LYS 3 HZ1 LYS 3 14.765 7.940 23.037 25 HZ2 LYS 3 HZ2 LYS 3 16.107 7.101 23.652 26 HZ3 LYS 3 HZ3 LYS 3 15.604 8.550 24.381 27 H LYS 4 HN LYS 4 12.934 1.051 24.546 28 HA LYS 4 HA LYS 4 11.295 -0.184 22.472 29 HB2 LYS 4 HB2 LYS 4 12.342 -1.213 24.690 30 HB3 LYS 4 HB1 LYS 4 10.877 -0.602 25.446 31 HG2 LYS 4 HG2 LYS 4 10.176 -2.733 24.803 32 HG3 LYS 4 HG1 LYS 4 9.689 -1.788 23.401 33 HD2 LYS 4 HD2 LYS 4 11.574 -2.496 22.131 34 HD3 LYS 4 HD1 LYS 4 12.415 -3.088 23.560 35 HE2 LYS 4 HE2 LYS 4 9.842 -4.246 22.442 36 HE3 LYS 4 HE1 LYS 4 11.440 -4.954 22.243 37 HZ1 LYS 4 HZ1 LYS 4 9.973 -4.550 24.784 38 HZ2 LYS 4 HZ2 LYS 4 11.587 -5.067 24.691 39 HZ3 LYS 4 HZ3 LYS 4 10.348 -6.028 24.040 40 H ASP 5 HN ASP 5 9.102 -0.638 24.482 41 HA ASP 5 HA ASP 5 7.587 1.850 23.838 42 HB2 ASP 5 HB2 ASP 5 6.514 -0.172 23.000 43 HB3 ASP 5 HB1 ASP 5 6.739 -1.002 24.539 44 H VAL 6 HN VAL 6 7.399 3.264 25.436 45 HA VAL 6 HA VAL 6 7.732 2.382 28.232 46 HB VAL 6 HB VAL 6 7.280 5.013 28.499 47 HG11 VAL 6 HG11 VAL 6 9.722 3.655 27.342 48 HG12 VAL 6 HG12 VAL 6 9.444 4.167 29.004 49 HG13 VAL 6 HG13 VAL 6 9.735 5.369 27.749 50 HG21 VAL 6 HG21 VAL 6 8.168 4.826 25.604 51 HG22 VAL 6 HG22 VAL 6 7.768 6.286 26.505 52 HG23 VAL 6 HG23 VAL 6 6.502 5.138 26.081 53 H ILE 7 HN ILE 7 6.198 3.207 29.892 54 HA ILE 7 HA ILE 7 3.410 2.799 28.907 55 HB ILE 7 HB ILE 7 4.452 2.855 31.780 56 HG12 ILE 7 HG12 ILE 7 5.617 1.076 30.656 57 HG13 ILE 7 HG11 ILE 7 4.299 0.331 31.555 58 HG21 ILE 7 HG21 ILE 7 2.136 2.893 32.039 59 HG22 ILE 7 HG22 ILE 7 2.261 1.177 31.665 60 HG23 ILE 7 HG23 ILE 7 1.845 2.326 30.398 61 HD11 ILE 7 HD11 ILE 7 4.193 -0.662 29.390 62 HD12 ILE 7 HD12 ILE 7 4.455 0.879 28.583 63 HD13 ILE 7 HD13 ILE 7 2.921 0.555 29.384 64 H GLU 8 HN GLU 8 2.472 4.661 28.381 65 HA GLU 8 HA GLU 8 3.128 7.164 29.710 66 HB2 GLU 8 HB2 GLU 8 0.971 6.325 27.712 67 HB3 GLU 8 HB1 GLU 8 1.120 7.976 28.302 68 HG2 GLU 8 HG2 GLU 8 3.516 7.971 27.512 69 HG3 GLU 8 HG1 GLU 8 3.219 6.395 26.782 70 H LEU 9 HN LEU 9 2.376 7.725 31.640 71 HA LEU 9 HA LEU 9 -0.439 7.015 32.335 72 HB2 LEU 9 HB2 LEU 9 2.036 6.045 33.608 73 HB3 LEU 9 HB1 LEU 9 0.990 6.863 34.763 74 HG LEU 9 HG LEU 9 -0.084 4.785 32.841 75 HD11 LEU 9 HD11 LEU 9 1.646 3.654 34.125 76 HD12 LEU 9 HD12 LEU 9 0.086 3.204 34.806 77 HD13 LEU 9 HD13 LEU 9 1.088 4.402 35.618 78 HD21 LEU 9 HD21 LEU 9 -1.769 4.622 34.763 79 HD22 LEU 9 HD22 LEU 9 -1.796 6.128 33.850 80 HD23 LEU 9 HD23 LEU 9 -1.010 6.067 35.425 81 H GLU 10 HN GLU 10 -1.520 8.570 33.400 82 HA GLU 10 HA GLU 10 -0.137 11.145 33.719 83 HB2 GLU 10 HB2 GLU 10 -3.048 10.586 34.369 84 HB3 GLU 10 HB1 GLU 10 -2.331 12.092 33.804 85 HG2 GLU 10 HG2 GLU 10 -3.275 11.310 31.822 86 HG3 GLU 10 HG1 GLU 10 -1.665 10.605 31.704 87 H GLY 11 HN GLY 11 0.206 12.205 35.615 88 HA2 GLY 11 HA2 GLY 11 -0.876 11.013 38.102 89 HA3 GLY 11 HA1 GLY 11 0.879 11.034 37.938 90 H THR 12 HN THR 12 -0.091 12.351 40.018 91 HA THR 12 HA THR 12 -0.050 15.219 39.192 92 HB THR 12 HB THR 12 -1.408 13.767 41.523 93 HG1 THR 12 HG1 THR 12 -3.087 14.366 40.376 94 HG21 THR 12 HG21 THR 12 -0.376 15.844 42.479 95 HG22 THR 12 HG22 THR 12 -2.095 16.127 42.231 96 HG23 THR 12 HG23 THR 12 -0.923 16.775 41.089 97 H VAL 13 HN VAL 13 1.585 16.411 39.835 98 HA VAL 13 HA VAL 13 3.842 15.260 41.146 99 HB VAL 13 HB VAL 13 3.105 18.216 41.128 100 HG11 VAL 13 HG21 VAL 13 5.213 17.020 42.326 101 HG12 VAL 13 HG22 VAL 13 5.330 18.612 41.587 102 HG13 VAL 13 HG23 VAL 13 5.869 17.189 40.700 103 HG21 VAL 13 HG11 VAL 13 2.858 17.152 38.881 104 HG22 VAL 13 HG12 VAL 13 4.527 16.604 38.998 105 HG23 VAL 13 HG13 VAL 13 4.167 18.326 38.940 106 H SER 14 HN SER 14 4.264 14.863 43.190 107 HA SER 14 HA SER 14 2.339 15.790 45.219 108 HB2 SER 14 HB2 SER 14 2.989 13.362 45.150 109 HB3 SER 14 HB1 SER 14 4.678 13.819 45.451 110 HG SER 14 HG SER 14 4.137 14.593 47.413 111 H GLU 15 HN GLU 15 5.828 15.951 44.529 112 HA GLU 15 HA GLU 15 5.943 18.410 46.148 113 HB2 GLU 15 HB2 GLU 15 6.261 16.329 47.704 114 HB3 GLU 15 HB1 GLU 15 7.819 16.133 46.910 115 HG2 GLU 15 HG2 GLU 15 8.483 18.400 47.584 116 HG3 GLU 15 HG1 GLU 15 6.897 18.678 48.295 117 H ALA 16 HN ALA 16 7.969 19.531 45.982 118 HA ALA 16 HA ALA 16 9.347 18.886 43.430 119 HB1 ALA 16 HB1 ALA 16 8.645 21.148 43.362 120 HB2 ALA 16 HB2 ALA 16 10.292 21.323 43.964 121 HB3 ALA 16 HB3 ALA 16 8.935 21.389 45.083 122 H LEU 17 HN LEU 17 11.289 18.015 43.447 123 HA LEU 17 HA LEU 17 12.970 18.328 45.895 124 HB2 LEU 17 HB2 LEU 17 13.102 16.041 43.903 125 HB3 LEU 17 HB1 LEU 17 13.778 16.086 45.530 126 HG LEU 17 HG LEU 17 10.824 16.269 44.912 127 HD11 LEU 17 HD21 LEU 17 11.536 14.049 44.328 128 HD12 LEU 17 HD22 LEU 17 10.835 13.935 45.938 129 HD13 LEU 17 HD23 LEU 17 12.583 13.952 45.738 130 HD21 LEU 17 HD11 LEU 17 10.789 15.645 47.413 131 HD22 LEU 17 HD12 LEU 17 11.213 17.299 46.991 132 HD23 LEU 17 HD13 LEU 17 12.474 16.149 47.418 133 HA PRO 18 HA PRO 18 16.068 20.230 43.437 134 HB2 PRO 18 HB2 PRO 18 18.275 18.815 44.677 135 HB3 PRO 18 HB1 PRO 18 17.729 20.455 45.025 136 HG2 PRO 18 HG2 PRO 18 17.369 18.060 46.651 137 HG3 PRO 18 HG1 PRO 18 16.925 19.722 47.051 138 HD2 PRO 18 HD1 PRO 18 15.145 17.583 46.372 139 HD3 PRO 18 HD2 PRO 18 14.728 19.289 46.620 140 H ASN 19 HN ASN 19 18.210 19.520 42.270 141 HA ASN 19 HA ASN 19 19.248 18.131 40.717 142 HB2 ASN 19 HB2 ASN 19 18.357 16.370 42.666 143 HB3 ASN 19 HB1 ASN 19 17.546 15.749 41.230 144 HD21 ASN 19 HD21 ASN 19 18.871 13.913 40.840 145 HD22 ASN 19 HD22 ASN 19 20.530 14.012 40.498 146 H ALA 20 HN ALA 20 16.499 19.467 40.412 147 HA ALA 20 HA ALA 20 14.979 19.756 38.657 148 HB1 ALA 20 HB1 ALA 20 16.494 17.848 36.896 149 HB2 ALA 20 HB2 ALA 20 17.379 19.252 37.477 150 HB3 ALA 20 HB3 ALA 20 15.909 19.468 36.534 151 H MET 21 HN MET 21 14.332 17.776 40.503 152 HA MET 21 HA MET 21 12.739 15.970 38.799 153 HB2 MET 21 HB2 MET 21 14.597 15.181 41.099 154 HB3 MET 21 HB1 MET 21 13.301 14.129 40.543 155 HG2 MET 21 HG2 MET 21 14.260 13.888 38.398 156 HG3 MET 21 HG1 MET 21 15.298 15.268 38.610 157 HE1 MET 21 HE1 MET 21 14.940 12.290 41.267 158 HE2 MET 21 HE2 MET 21 15.868 11.097 40.357 159 HE3 MET 21 HE3 MET 21 14.407 11.798 39.660 160 H PHE 22 HN PHE 22 11.189 14.763 40.319 161 HA PHE 22 HA PHE 22 10.482 16.116 42.776 162 HB2 PHE 22 HB2 PHE 22 8.060 16.556 41.643 163 HB3 PHE 22 HB1 PHE 22 9.325 17.765 41.608 164 HD1 PHE 22 HD1 PHE 22 9.572 14.724 39.544 165 HD2 PHE 22 HD2 PHE 22 8.473 18.829 39.591 166 HE1 PHE 22 HE1 PHE 22 9.485 14.723 37.102 167 HE2 PHE 22 HE2 PHE 22 8.367 18.816 37.142 168 HZ PHE 22 HZ PHE 22 8.844 16.757 35.908 169 H LYS 23 HN LYS 23 8.424 15.263 43.700 170 HA LYS 23 HA LYS 23 8.250 12.355 43.069 171 HB2 LYS 23 HB2 LYS 23 8.725 13.021 45.437 172 HB3 LYS 23 HB1 LYS 23 7.257 13.993 45.463 173 HG2 LYS 23 HG2 LYS 23 5.958 11.888 44.929 174 HG3 LYS 23 HG1 LYS 23 7.450 10.982 45.157 175 HD2 LYS 23 HD2 LYS 23 7.633 11.860 47.463 176 HD3 LYS 23 HD1 LYS 23 6.148 12.777 47.235 177 HE2 LYS 23 HE2 LYS 23 6.182 9.800 46.759 178 HE3 LYS 23 HE1 LYS 23 6.013 10.430 48.392 179 HZ1 LYS 23 HZ1 LYS 23 3.926 9.974 46.972 180 HZ2 LYS 23 HZ2 LYS 23 4.290 11.466 46.247 181 HZ3 LYS 23 HZ3 LYS 23 3.998 11.383 47.918 182 H VAL 24 HN VAL 24 6.461 11.514 42.165 183 HA VAL 24 HA VAL 24 4.033 13.271 41.993 184 HB VAL 24 HB VAL 24 5.142 11.257 39.987 185 HG11 VAL 24 HG11 VAL 24 2.619 11.311 40.109 186 HG12 VAL 24 HG12 VAL 24 3.258 11.850 38.561 187 HG13 VAL 24 HG13 VAL 24 2.688 13.030 39.736 188 HG21 VAL 24 HG21 VAL 24 4.611 14.105 39.307 189 HG22 VAL 24 HG22 VAL 24 5.921 13.053 38.778 190 HG23 VAL 24 HG23 VAL 24 5.979 13.798 40.372 191 H LYS 25 HN LYS 25 2.029 12.322 42.096 192 HA LYS 25 HA LYS 25 2.002 9.504 43.103 193 HB2 LYS 25 HB2 LYS 25 1.520 10.832 45.032 194 HB3 LYS 25 HB1 LYS 25 0.544 11.963 44.106 195 HG2 LYS 25 HG2 LYS 25 -1.205 10.314 43.799 196 HG3 LYS 25 HG1 LYS 25 -0.198 9.049 44.493 197 HD2 LYS 25 HD2 LYS 25 -0.121 10.790 46.540 198 HD3 LYS 25 HD1 LYS 25 -1.668 11.268 45.852 199 HE2 LYS 25 HE2 LYS 25 -2.487 8.967 45.993 200 HE3 LYS 25 HE1 LYS 25 -0.915 8.413 46.557 201 HZ1 LYS 25 HZ1 LYS 25 -1.607 8.815 48.599 202 HZ2 LYS 25 HZ2 LYS 25 -3.046 9.521 48.040 203 HZ3 LYS 25 HZ3 LYS 25 -1.655 10.473 48.237 204 H LEU 26 HN LEU 26 1.084 8.310 41.628 205 HA LEU 26 HA LEU 26 -0.700 9.334 39.643 206 HB2 LEU 26 HB2 LEU 26 -0.135 6.481 40.563 207 HB3 LEU 26 HB1 LEU 26 -0.967 6.909 39.074 208 HG LEU 26 HG LEU 26 1.260 8.419 38.793 209 HD11 LEU 26 HD21 LEU 26 3.170 6.846 39.452 210 HD12 LEU 26 HD22 LEU 26 2.011 6.036 40.499 211 HD13 LEU 26 HD23 LEU 26 2.410 7.728 40.771 212 HD21 LEU 26 HD11 LEU 26 2.042 6.671 37.281 213 HD22 LEU 26 HD12 LEU 26 0.283 6.712 37.229 214 HD23 LEU 26 HD13 LEU 26 1.108 5.457 38.150 215 H GLU 27 HN GLU 27 -2.881 9.324 39.554 216 HA GLU 27 HA GLU 27 -4.461 9.415 41.842 217 HB2 GLU 27 HB2 GLU 27 -4.904 9.462 39.039 218 HB3 GLU 27 HB1 GLU 27 -5.914 8.144 39.618 219 HG2 GLU 27 HG2 GLU 27 -6.823 9.709 41.382 220 HG3 GLU 27 HG1 GLU 27 -5.927 11.014 40.611 221 H ASN 28 HN ASN 28 -2.984 6.729 40.403 222 HA ASN 28 HA ASN 28 -4.782 4.642 41.184 223 HB2 ASN 28 HB2 ASN 28 -1.768 4.757 40.690 224 HB3 ASN 28 HB1 ASN 28 -2.590 3.251 41.077 225 HD21 ASN 28 HD21 ASN 28 -4.975 3.503 39.628 226 HD22 ASN 28 HD22 ASN 28 -4.630 3.596 37.969 227 H GLY 29 HN GLY 29 -2.733 6.694 42.966 228 HA2 GLY 29 HA2 GLY 29 -2.954 6.797 45.395 229 HA3 GLY 29 HA1 GLY 29 -3.230 5.062 45.406 230 H HIS 30 HN HIS 30 -0.839 5.168 43.281 231 HA HIS 30 HA HIS 30 1.206 4.810 45.426 232 HB2 HIS 30 HB2 HIS 30 1.620 4.181 42.493 233 HB3 HIS 30 HB1 HIS 30 2.330 3.387 43.900 234 HD1 HIS 30 HD1 HIS 30 -0.423 3.093 41.687 235 HD2 HIS 30 HD2 HIS 30 0.339 1.897 45.481 236 HE1 HIS 30 HE1 HIS 30 -2.101 1.421 42.152 237 H GLU 31 HN GLU 31 3.483 5.382 44.723 238 HA GLU 31 HA GLU 31 3.469 8.022 43.382 239 HB2 GLU 31 HB2 GLU 31 5.166 8.758 45.038 240 HB3 GLU 31 HB1 GLU 31 3.701 8.231 45.862 241 HG2 GLU 31 HG2 GLU 31 5.213 6.991 47.078 242 HG3 GLU 31 HG1 GLU 31 5.002 5.866 45.740 243 H ILE 32 HN ILE 32 5.427 8.695 42.460 244 HA ILE 32 HA ILE 32 7.494 6.667 42.016 245 HB ILE 32 HB ILE 32 5.859 7.846 39.788 246 HG12 ILE 32 HG12 ILE 32 6.051 5.031 40.861 247 HG13 ILE 32 HG11 ILE 32 4.635 6.072 40.889 248 HG21 ILE 32 HG21 ILE 32 7.254 6.431 38.305 249 HG22 ILE 32 HG22 ILE 32 8.125 5.814 39.703 250 HG23 ILE 32 HG23 ILE 32 8.294 7.501 39.235 251 HD11 ILE 32 HD11 ILE 32 5.909 4.685 38.547 252 HD12 ILE 32 HD12 ILE 32 4.988 6.164 38.286 253 HD13 ILE 32 HD13 ILE 32 4.208 4.758 39.001 254 H LEU 33 HN LEU 33 9.394 7.546 40.961 255 HA LEU 33 HA LEU 33 9.624 10.434 41.528 256 HB2 LEU 33 HB2 LEU 33 11.560 8.137 41.104 257 HB3 LEU 33 HB1 LEU 33 12.133 9.794 40.948 258 HG LEU 33 HG LEU 33 11.468 10.319 43.206 259 HD11 LEU 33 HD21 LEU 33 10.411 8.401 44.586 260 HD12 LEU 33 HD22 LEU 33 10.061 7.646 43.033 261 HD13 LEU 33 HD23 LEU 33 9.368 9.216 43.425 262 HD21 LEU 33 HD11 LEU 33 12.593 8.256 44.438 263 HD22 LEU 33 HD12 LEU 33 13.556 9.295 43.395 264 HD23 LEU 33 HD13 LEU 33 12.967 7.748 42.795 265 H CYS 34 HN CYS 34 9.945 11.942 39.946 266 HA CYS 34 HA CYS 34 10.309 10.892 37.169 267 HB2 CYS 34 HB2 CYS 34 8.409 13.077 38.047 268 HB3 CYS 34 HB1 CYS 34 8.680 12.582 36.398 269 HG CYS 34 HG1 CYS 34 7.374 10.414 36.841 270 H HIS 35 HN HIS 35 11.290 12.209 35.694 271 HA HIS 35 HA HIS 35 12.725 14.560 36.885 272 HB2 HIS 35 HB2 HIS 35 14.096 13.585 34.553 273 HB3 HIS 35 HB1 HIS 35 14.646 13.488 36.223 274 HD1 HIS 35 HD1 HIS 35 13.798 11.377 33.587 275 HD2 HIS 35 HD2 HIS 35 13.356 11.113 37.610 276 HE1 HIS 35 HE1 HIS 35 13.454 9.020 34.011 277 H ILE 36 HN ILE 36 13.270 16.251 35.343 278 HA ILE 36 HA ILE 36 11.053 16.634 33.455 279 HB ILE 36 HB ILE 36 13.160 18.387 34.724 280 HG12 ILE 36 HG12 ILE 36 10.271 19.083 34.367 281 HG13 ILE 36 HG11 ILE 36 10.671 17.771 35.466 282 HG21 ILE 36 HG21 ILE 36 13.284 19.265 32.512 283 HG22 ILE 36 HG22 ILE 36 11.965 20.213 33.187 284 HG23 ILE 36 HG23 ILE 36 11.617 18.840 32.141 285 HD11 ILE 36 HD11 ILE 36 10.626 19.943 36.660 286 HD12 ILE 36 HD12 ILE 36 11.875 20.555 35.581 287 HD13 ILE 36 HD13 ILE 36 12.238 19.234 36.687 288 H SER 37 HN SER 37 11.256 16.848 31.298 289 HA SER 37 HA SER 37 13.724 15.811 30.129 290 HB2 SER 37 HB2 SER 37 10.912 16.361 29.176 291 HB3 SER 37 HB1 SER 37 12.201 16.255 27.961 292 HG SER 37 HG SER 37 11.341 14.347 29.840 293 H GLY 38 HN GLY 38 13.947 16.988 27.751 294 HA2 GLY 38 HA2 GLY 38 15.088 19.580 28.464 295 HA3 GLY 38 HA1 GLY 38 15.204 18.798 26.894 296 H LYS 39 HN LYS 39 12.028 18.604 27.475 297 HA LYS 39 HA LYS 39 11.463 20.840 25.738 298 HB2 LYS 39 HB2 LYS 39 10.137 18.746 25.583 299 HB3 LYS 39 HB1 LYS 39 9.603 18.946 27.245 300 HG2 LYS 39 HG2 LYS 39 7.794 19.779 25.937 301 HG3 LYS 39 HG1 LYS 39 8.633 21.223 26.477 302 HD2 LYS 39 HD2 LYS 39 8.153 21.411 24.083 303 HD3 LYS 39 HD1 LYS 39 9.889 21.261 24.311 304 HE2 LYS 39 HE2 LYS 39 8.478 18.683 24.050 305 HE3 LYS 39 HE1 LYS 39 8.409 19.693 22.612 306 HZ1 LYS 39 HZ1 LYS 39 10.338 18.388 22.440 307 HZ2 LYS 39 HZ2 LYS 39 10.819 18.734 24.032 308 HZ3 LYS 39 HZ3 LYS 39 10.866 19.951 22.849 309 H LEU 40 HN LEU 40 10.196 20.052 28.958 310 HA LEU 40 HA LEU 40 9.077 22.610 29.410 311 HB2 LEU 40 HB2 LEU 40 10.387 20.869 31.555 312 HB3 LEU 40 HB1 LEU 40 9.000 21.937 31.749 313 HG LEU 40 HG LEU 40 8.231 20.237 29.689 314 HD11 LEU 40 HD11 LEU 40 9.453 18.557 31.877 315 HD12 LEU 40 HD12 LEU 40 10.272 18.869 30.351 316 HD13 LEU 40 HD13 LEU 40 8.740 18.010 30.369 317 HD21 LEU 40 HD21 LEU 40 7.713 19.972 32.678 318 HD22 LEU 40 HD22 LEU 40 6.710 19.273 31.408 319 HD23 LEU 40 HD23 LEU 40 6.823 21.022 31.581 320 H ARG 41 HN ARG 41 12.266 21.510 29.323 321 HA ARG 41 HA ARG 41 13.395 23.633 30.961 322 HB2 ARG 41 HB2 ARG 41 14.530 21.642 28.957 323 HB3 ARG 41 HB1 ARG 41 15.548 22.867 29.702 324 HG2 ARG 41 HG2 ARG 41 13.804 21.075 31.389 325 HG3 ARG 41 HG1 ARG 41 15.394 20.539 30.856 326 HD2 ARG 41 HD2 ARG 41 16.212 22.851 31.795 327 HD3 ARG 41 HD1 ARG 41 14.690 22.832 32.688 328 HE ARG 41 HE ARG 41 15.802 20.325 33.157 329 HH11 ARG 41 HH11 ARG 41 16.333 23.639 33.791 330 HH12 ARG 41 HH12 ARG 41 17.532 23.371 35.012 331 HH21 ARG 41 HH21 ARG 41 17.505 19.897 34.557 332 HH22 ARG 41 HH22 ARG 41 18.214 21.196 35.455 333 H MET 42 HN MET 42 12.814 23.046 27.557 334 HA MET 42 HA MET 42 14.141 25.430 26.645 335 HB2 MET 42 HB2 MET 42 13.503 23.302 25.286 336 HB3 MET 42 HB1 MET 42 11.874 23.960 25.231 337 HG2 MET 42 HG2 MET 42 13.282 24.540 23.242 338 HG3 MET 42 HG1 MET 42 12.596 25.910 24.073 339 HE1 MET 42 HE1 MET 42 15.307 23.539 23.910 340 HE2 MET 42 HE2 MET 42 16.779 24.342 24.456 341 HE3 MET 42 HE3 MET 42 16.262 24.497 22.777 342 H ASN 43 HN ASN 43 10.928 24.652 27.799 343 HA ASN 43 HA ASN 43 9.751 27.139 26.818 344 HB2 ASN 43 HB2 ASN 43 8.892 24.971 28.776 345 HB3 ASN 43 HB1 ASN 43 7.914 26.417 28.535 346 HD21 ASN 43 HD21 ASN 43 9.783 25.128 25.848 347 HD22 ASN 43 HD22 ASN 43 8.462 24.517 24.974 348 H PHE 44 HN PHE 44 11.101 25.975 29.855 349 HA PHE 44 HA PHE 44 11.812 27.135 31.749 350 HB2 PHE 44 HB2 PHE 44 12.694 28.575 29.632 351 HB3 PHE 44 HB1 PHE 44 11.583 29.769 30.281 352 HD1 PHE 44 HD1 PHE 44 14.820 29.431 30.206 353 HD2 PHE 44 HD2 PHE 44 11.805 29.195 33.207 354 HE1 PHE 44 HE1 PHE 44 16.472 30.038 31.915 355 HE2 PHE 44 HE2 PHE 44 13.467 29.804 34.913 356 HZ PHE 44 HZ PHE 44 15.797 30.227 34.268 357 H ILE 45 HN ILE 45 9.649 26.599 32.614 358 HA ILE 45 HA ILE 45 8.020 29.044 33.066 359 HB ILE 45 HB ILE 45 6.841 26.291 33.313 360 HG12 ILE 45 HG12 ILE 45 6.203 27.163 30.708 361 HG13 ILE 45 HG11 ILE 45 7.944 27.353 30.833 362 HG21 ILE 45 HG21 ILE 45 4.810 27.479 33.007 363 HG22 ILE 45 HG22 ILE 45 5.575 28.744 32.050 364 HG23 ILE 45 HG23 ILE 45 5.798 28.705 33.794 365 HD11 ILE 45 HD11 ILE 45 6.505 24.832 31.707 366 HD12 ILE 45 HD12 ILE 45 8.235 25.046 31.455 367 HD13 ILE 45 HD13 ILE 45 7.136 25.047 30.079 368 H ARG 46 HN ARG 46 6.321 27.539 34.879 369 HA ARG 46 HA ARG 46 8.119 26.799 37.068 370 HB2 ARG 46 HB2 ARG 46 7.077 29.443 36.822 371 HB3 ARG 46 HB1 ARG 46 6.117 28.677 38.081 372 HG2 ARG 46 HG2 ARG 46 8.449 27.840 38.966 373 HG3 ARG 46 HG1 ARG 46 9.079 29.175 38.008 374 HD2 ARG 46 HD2 ARG 46 7.537 30.728 39.196 375 HD3 ARG 46 HD1 ARG 46 6.965 29.382 40.181 376 HE ARG 46 HE ARG 46 9.680 30.586 40.325 377 HH11 ARG 46 HH11 ARG 46 10.406 30.475 42.464 378 HH12 ARG 46 HH12 ARG 46 9.865 29.174 43.472 379 HH21 ARG 46 HH21 ARG 46 7.598 27.991 41.076 380 HH22 ARG 46 HH22 ARG 46 8.236 27.729 42.665 381 H ILE 47 HN ILE 47 7.228 24.786 37.211 382 HA ILE 47 HA ILE 47 4.285 24.536 37.418 383 HB ILE 47 HB ILE 47 6.439 22.376 37.568 384 HG12 ILE 47 HG12 ILE 47 5.343 22.120 35.096 385 HG13 ILE 47 HG11 ILE 47 5.269 23.868 35.283 386 HG21 ILE 47 HG21 ILE 47 3.432 22.363 36.980 387 HG22 ILE 47 HG22 ILE 47 4.221 21.656 38.386 388 HG23 ILE 47 HG23 ILE 47 4.471 20.953 36.791 389 HD11 ILE 47 HD11 ILE 47 7.430 23.049 34.273 390 HD12 ILE 47 HD12 ILE 47 7.767 22.221 35.790 391 HD13 ILE 47 HD13 ILE 47 7.651 23.977 35.752 392 H LEU 48 HN LEU 48 3.303 24.577 39.314 393 HA LEU 48 HA LEU 48 4.926 24.198 41.773 394 HB2 LEU 48 HB2 LEU 48 2.153 25.330 41.202 395 HB3 LEU 48 HB1 LEU 48 2.707 25.024 42.844 396 HG LEU 48 HG LEU 48 4.609 26.523 42.529 397 HD11 LEU 48 HD11 LEU 48 4.580 27.878 40.309 398 HD12 LEU 48 HD12 LEU 48 3.596 26.559 39.682 399 HD13 LEU 48 HD13 LEU 48 5.230 26.242 40.258 400 HD21 LEU 48 HD21 LEU 48 1.959 27.670 41.595 401 HD22 LEU 48 HD22 LEU 48 3.336 28.657 42.074 402 HD23 LEU 48 HD23 LEU 48 2.558 27.602 43.250 403 H GLU 49 HN GLU 49 4.639 22.536 43.142 404 HA GLU 49 HA GLU 49 3.676 20.101 42.413 405 HB2 GLU 49 HB2 GLU 49 3.233 19.789 44.987 406 HB3 GLU 49 HB1 GLU 49 4.869 20.183 44.476 407 HG2 GLU 49 HG2 GLU 49 4.306 21.654 46.319 408 HG3 GLU 49 HG1 GLU 49 4.307 22.627 44.851 409 H GLY 50 HN GLY 50 1.795 18.893 42.805 410 HA2 GLY 50 HA2 GLY 50 -0.534 18.668 43.399 411 HA3 GLY 50 HA1 GLY 50 -0.649 20.423 43.501 412 H ASP 51 HN ASP 51 1.012 20.300 40.867 413 HA ASP 51 HA ASP 51 -1.334 20.489 39.141 414 HB2 ASP 51 HB2 ASP 51 1.644 20.978 38.857 415 HB3 ASP 51 HB1 ASP 51 0.662 20.848 37.402 416 H LYS 52 HN LYS 52 -1.861 19.111 37.465 417 HA LYS 52 HA LYS 52 -0.866 16.433 37.696 418 HB2 LYS 52 HB2 LYS 52 -2.887 17.703 35.820 419 HB3 LYS 52 HB1 LYS 52 -2.550 15.974 35.860 420 HG2 LYS 52 HG2 LYS 52 -2.998 16.360 38.482 421 HG3 LYS 52 HG1 LYS 52 -3.982 17.674 37.851 422 HD2 LYS 52 HD2 LYS 52 -4.166 14.806 36.877 423 HD3 LYS 52 HD1 LYS 52 -5.233 15.499 38.095 424 HE2 LYS 52 HE2 LYS 52 -5.876 17.279 36.462 425 HE3 LYS 52 HE1 LYS 52 -4.883 16.486 35.246 426 HZ1 LYS 52 HZ1 LYS 52 -6.245 14.525 35.433 427 HZ2 LYS 52 HZ2 LYS 52 -7.210 15.874 35.065 428 HZ3 LYS 52 HZ3 LYS 52 -7.185 15.252 36.646 429 H VAL 53 HN VAL 53 0.093 15.186 36.174 430 HA VAL 53 HA VAL 53 1.098 16.561 33.746 431 HB VAL 53 HB VAL 53 3.432 15.916 34.407 432 HG11 VAL 53 HG21 VAL 53 2.427 18.187 34.879 433 HG12 VAL 53 HG22 VAL 53 3.764 17.739 35.932 434 HG13 VAL 53 HG23 VAL 53 2.109 17.614 36.513 435 HG21 VAL 53 HG11 VAL 53 2.611 15.604 37.234 436 HG22 VAL 53 HG12 VAL 53 3.914 14.808 36.359 437 HG23 VAL 53 HG13 VAL 53 2.259 14.243 36.178 438 H ASN 54 HN ASN 54 2.444 15.040 32.395 439 HA ASN 54 HA ASN 54 1.243 12.314 32.564 440 HB2 ASN 54 HB2 ASN 54 1.890 14.169 30.386 441 HB3 ASN 54 HB1 ASN 54 2.654 12.602 30.123 442 HD21 ASN 54 HD21 ASN 54 -0.414 13.109 31.861 443 HD22 ASN 54 HD22 ASN 54 -1.383 12.288 30.735 444 H VAL 55 HN VAL 55 2.506 10.806 33.417 445 HA VAL 55 HA VAL 55 5.432 11.239 33.339 446 HB VAL 55 HB VAL 55 3.804 9.304 35.020 447 HG11 VAL 55 HG11 VAL 55 5.875 9.244 36.392 448 HG12 VAL 55 HG12 VAL 55 6.658 10.318 35.235 449 HG13 VAL 55 HG13 VAL 55 6.179 8.697 34.746 450 HG21 VAL 55 HG21 VAL 55 4.731 12.142 35.514 451 HG22 VAL 55 HG22 VAL 55 4.375 11.040 36.841 452 HG23 VAL 55 HG23 VAL 55 3.109 11.480 35.700 453 H GLU 56 HN GLU 56 6.639 10.101 32.047 454 HA GLU 56 HA GLU 56 5.509 7.653 30.812 455 HB2 GLU 56 HB2 GLU 56 7.766 9.581 30.173 456 HB3 GLU 56 HB1 GLU 56 7.862 7.944 29.532 457 HG2 GLU 56 HG2 GLU 56 5.687 8.204 28.434 458 HG3 GLU 56 HG1 GLU 56 5.473 9.792 29.166 459 H LEU 57 HN LEU 57 5.919 5.833 31.870 460 HA LEU 57 HA LEU 57 8.236 5.674 33.689 461 HB2 LEU 57 HB2 LEU 57 6.180 3.512 33.037 462 HB3 LEU 57 HB1 LEU 57 7.184 3.625 34.479 463 HG LEU 57 HG LEU 57 5.214 5.803 33.747 464 HD11 LEU 57 HD11 LEU 57 4.765 3.281 35.373 465 HD12 LEU 57 HD12 LEU 57 3.885 3.783 33.933 466 HD13 LEU 57 HD13 LEU 57 3.699 4.680 35.436 467 HD21 LEU 57 HD21 LEU 57 6.435 4.919 36.382 468 HD22 LEU 57 HD22 LEU 57 5.406 6.325 36.135 469 HD23 LEU 57 HD23 LEU 57 7.011 6.274 35.416 470 H SER 58 HN SER 58 9.904 4.179 33.533 471 HA SER 58 HA SER 58 10.442 3.286 30.767 472 HB2 SER 58 HB2 SER 58 12.073 3.591 33.304 473 HB3 SER 58 HB1 SER 58 12.710 2.609 31.967 474 HG SER 58 HG SER 58 12.987 4.363 30.851 475 HA PRO 59 HA PRO 59 9.114 -0.875 31.667 476 HB2 PRO 59 HB2 PRO 59 10.683 -1.998 29.524 477 HB3 PRO 59 HB1 PRO 59 8.964 -1.604 29.484 478 HG2 PRO 59 HG2 PRO 59 11.178 -0.183 28.206 479 HG3 PRO 59 HG1 PRO 59 9.446 0.101 28.020 480 HD2 PRO 59 HD1 PRO 59 11.312 1.732 29.455 481 HD3 PRO 59 HD2 PRO 59 9.549 1.918 29.395 482 H TYR 60 HN TYR 60 12.395 0.151 31.501 483 HA TYR 60 HA TYR 60 13.389 -2.364 32.565 484 HB2 TYR 60 HB2 TYR 60 14.489 -0.268 30.913 485 HB3 TYR 60 HB1 TYR 60 15.449 -0.367 32.386 486 HD1 TYR 60 HD1 TYR 60 13.780 -2.778 30.038 487 HD2 TYR 60 HD2 TYR 60 17.275 -1.818 32.265 488 HE1 TYR 60 HE1 TYR 60 14.880 -4.795 29.181 489 HE2 TYR 60 HE2 TYR 60 18.372 -3.840 31.414 490 HH TYR 60 HH TYR 60 18.231 -5.369 29.558 491 H ASP 61 HN ASP 61 12.231 0.595 33.503 492 HA ASP 61 HA ASP 61 13.208 0.121 36.227 493 HB2 ASP 61 HB2 ASP 61 14.555 1.934 34.784 494 HB3 ASP 61 HB1 ASP 61 13.193 2.965 35.198 495 H LEU 62 HN LEU 62 11.000 -0.622 36.402 496 HA LEU 62 HA LEU 62 8.806 1.209 36.005 497 HB2 LEU 62 HB2 LEU 62 8.980 -1.314 37.724 498 HB3 LEU 62 HB1 LEU 62 7.489 -0.528 37.218 499 HG LEU 62 HG LEU 62 9.172 -0.995 34.910 500 HD11 LEU 62 HD21 LEU 62 9.315 -3.402 34.941 501 HD12 LEU 62 HD22 LEU 62 8.400 -3.496 36.443 502 HD13 LEU 62 HD23 LEU 62 10.033 -2.835 36.445 503 HD21 LEU 62 HD11 LEU 62 7.157 -2.039 34.072 504 HD22 LEU 62 HD12 LEU 62 6.659 -0.665 35.052 505 HD23 LEU 62 HD13 LEU 62 6.549 -2.298 35.705 506 H THR 63 HN THR 63 11.100 1.968 37.709 507 HA THR 63 HA THR 63 9.584 2.614 40.214 508 HB THR 63 HB THR 63 12.272 3.125 40.789 509 HG1 THR 63 HG1 THR 63 12.750 2.293 38.696 510 HG21 THR 63 HG21 THR 63 10.923 1.636 42.230 511 HG22 THR 63 HG22 THR 63 12.276 0.670 41.648 512 HG23 THR 63 HG23 THR 63 10.687 0.496 40.909 513 H ARG 64 HN ARG 64 11.351 3.883 37.506 514 HA ARG 64 HA ARG 64 10.845 6.651 38.548 515 HB2 ARG 64 HB2 ARG 64 13.300 5.333 37.686 516 HB3 ARG 64 HB1 ARG 64 12.958 6.678 36.605 517 HG2 ARG 64 HG2 ARG 64 13.086 8.260 38.322 518 HG3 ARG 64 HG1 ARG 64 12.728 7.074 39.578 519 HD2 ARG 64 HD2 ARG 64 14.898 6.343 39.691 520 HD3 ARG 64 HD1 ARG 64 15.173 6.576 37.967 521 HE ARG 64 HE ARG 64 14.905 9.059 39.535 522 HH11 ARG 64 HH11 ARG 64 16.337 10.029 37.644 523 HH12 ARG 64 HH12 ARG 64 17.996 9.555 37.803 524 HH21 ARG 64 HH21 ARG 64 17.247 6.944 40.021 525 HH22 ARG 64 HH22 ARG 64 18.524 7.763 39.184 526 H GLY 65 HN GLY 65 10.303 8.217 37.040 527 HA2 GLY 65 HA2 GLY 65 9.759 7.375 34.237 528 HA3 GLY 65 HA1 GLY 65 8.405 7.977 35.195 529 H ARG 66 HN ARG 66 8.302 9.745 33.560 530 HA ARG 66 HA ARG 66 9.785 12.061 34.564 531 HB2 ARG 66 HB2 ARG 66 10.677 12.428 32.054 532 HB3 ARG 66 HB1 ARG 66 11.609 11.495 33.218 533 HG2 ARG 66 HG2 ARG 66 10.637 9.410 32.363 534 HG3 ARG 66 HG1 ARG 66 9.625 10.317 31.245 535 HD2 ARG 66 HD2 ARG 66 11.335 10.113 29.759 536 HD3 ARG 66 HD1 ARG 66 12.189 11.299 30.744 537 HE ARG 66 HE ARG 66 12.482 8.579 31.752 538 HH11 ARG 66 HH11 ARG 66 13.296 10.229 28.926 539 HH12 ARG 66 HH12 ARG 66 14.996 9.913 29.017 540 HH21 ARG 66 HH21 ARG 66 14.762 8.459 32.198 541 HH22 ARG 66 HH22 ARG 66 15.846 8.886 30.917 542 H ILE 67 HN ILE 67 8.963 14.033 33.896 543 HA ILE 67 HA ILE 67 6.375 13.886 32.483 544 HB ILE 67 HB ILE 67 7.803 15.940 34.193 545 HG12 ILE 67 HG12 ILE 67 5.598 15.808 35.393 546 HG13 ILE 67 HG11 ILE 67 5.115 14.541 34.271 547 HG21 ILE 67 HG21 ILE 67 5.673 17.364 33.696 548 HG22 ILE 67 HG22 ILE 67 5.427 16.314 32.305 549 HG23 ILE 67 HG23 ILE 67 6.879 17.306 32.415 550 HD11 ILE 67 HD11 ILE 67 6.914 13.119 34.984 551 HD12 ILE 67 HD12 ILE 67 6.097 13.696 36.433 552 HD13 ILE 67 HD13 ILE 67 7.624 14.417 35.939 553 H THR 68 HN THR 68 6.151 14.440 30.475 554 HA THR 68 HA THR 68 8.182 16.243 29.247 555 HB THR 68 HB THR 68 7.652 14.846 27.098 556 HG1 THR 68 HG1 THR 68 6.001 13.870 28.926 557 HG21 THR 68 HG21 THR 68 9.649 14.469 28.924 558 HG22 THR 68 HG22 THR 68 9.394 13.319 27.614 559 HG23 THR 68 HG23 THR 68 8.747 12.986 29.217 560 H TRP 69 HN TRP 69 5.165 16.095 30.291 561 HA TRP 69 HA TRP 69 4.281 18.260 28.593 562 HB2 TRP 69 HB2 TRP 69 2.194 16.536 28.013 563 HB3 TRP 69 HB1 TRP 69 3.536 16.839 26.913 564 HD1 TRP 69 HD1 TRP 69 3.951 14.824 30.176 565 HE1 TRP 69 HE1 TRP 69 4.711 12.510 29.471 566 HE3 TRP 69 HE3 TRP 69 3.329 15.358 25.323 567 HZ2 TRP 69 HZ2 TRP 69 4.973 10.990 26.883 568 HZ3 TRP 69 HZ3 TRP 69 3.794 13.568 23.704 569 HH2 TRP 69 HH2 TRP 69 4.615 11.385 24.482 570 H ARG 70 HN ARG 70 3.428 19.408 30.237 571 HA ARG 70 HA ARG 70 2.147 18.248 32.474 572 HB2 ARG 70 HB2 ARG 70 1.646 20.539 33.121 573 HB3 ARG 70 HB1 ARG 70 3.243 20.542 32.382 574 HG2 ARG 70 HG2 ARG 70 2.418 22.150 31.025 575 HG3 ARG 70 HG1 ARG 70 1.586 20.839 30.202 576 HD2 ARG 70 HD2 ARG 70 0.075 22.752 30.919 577 HD3 ARG 70 HD1 ARG 70 -0.410 21.174 31.535 578 HE ARG 70 HE ARG 70 1.266 22.268 33.502 579 HH11 ARG 70 HH11 ARG 70 -1.478 21.518 34.146 580 HH12 ARG 70 HH12 ARG 70 -2.253 23.032 34.475 581 HH21 ARG 70 HH21 ARG 70 0.265 24.892 32.896 582 HH22 ARG 70 HH22 ARG 70 -1.239 24.993 33.747 583 H LYS 71 HN LYS 71 -0.131 18.654 33.106 584 HA LYS 71 HA LYS 71 -1.941 18.772 30.751 585 HB2 LYS 71 HB2 LYS 71 -1.646 16.409 31.558 586 HB3 LYS 71 HB1 LYS 71 -2.200 16.908 33.152 587 HG2 LYS 71 HG2 LYS 71 -4.383 16.946 32.501 588 HG3 LYS 71 HG1 LYS 71 -4.000 17.744 30.982 589 HD2 LYS 71 HD2 LYS 71 -4.872 15.522 30.491 590 HD3 LYS 71 HD1 LYS 71 -3.158 15.552 30.097 591 HE2 LYS 71 HE2 LYS 71 -4.279 13.622 31.636 592 HE3 LYS 71 HE1 LYS 71 -2.603 14.128 31.809 593 HZ1 LYS 71 HZ1 LYS 71 -3.098 15.435 33.638 594 HZ2 LYS 71 HZ2 LYS 71 -4.054 14.052 33.881 595 HZ3 LYS 71 HZ3 LYS 71 -4.761 15.481 33.294 596 H LYS 72 HN LYS 72 -4.124 19.402 31.224 597 HA LYS 72 HA LYS 72 -4.279 21.673 32.926 598 HB2 LYS 72 HB2 LYS 72 -5.801 21.096 30.949 599 HB3 LYS 72 HB1 LYS 72 -6.605 19.923 31.986 600 HG2 LYS 72 HG2 LYS 72 -7.301 21.660 33.524 601 HG3 LYS 72 HG1 LYS 72 -6.324 22.860 32.687 602 HD2 LYS 72 HD2 LYS 72 -7.757 22.142 30.590 603 HD3 LYS 72 HD1 LYS 72 -8.889 21.561 31.807 604 HE2 LYS 72 HE2 LYS 72 -7.730 24.359 31.848 605 HE3 LYS 72 HE1 LYS 72 -9.242 23.969 31.042 606 HZ1 LYS 72 HZ1 LYS 72 -9.510 22.836 33.493 607 HZ2 LYS 72 HZ2 LYS 72 -10.179 24.317 33.003 608 HZ3 LYS 72 HZ3 LYS 72 -8.695 24.288 33.828 Start of MODEL 9 1 HA MET 1 HA MET 1 -0.615 -3.602 23.384 2 HB2 MET 1 HB2 MET 1 1.616 -1.582 22.875 3 HB3 MET 1 HB1 MET 1 0.074 -1.713 22.035 4 HG2 MET 1 HG2 MET 1 0.728 -0.419 24.590 5 HG3 MET 1 HG1 MET 1 -0.537 -0.052 23.448 6 HE1 MET 1 HE1 MET 1 -2.051 -0.241 27.014 7 HE2 MET 1 HE2 MET 1 -2.315 0.610 25.493 8 HE3 MET 1 HE3 MET 1 -0.698 0.539 26.194 9 H ALA 2 HN ALA 2 2.912 -3.067 23.180 10 HA ALA 2 HA ALA 2 3.193 -5.698 21.869 11 HB1 ALA 2 HB1 ALA 2 4.006 -3.075 20.515 12 HB2 ALA 2 HB2 ALA 2 2.658 -4.094 20.016 13 HB3 ALA 2 HB3 ALA 2 4.310 -4.687 19.875 14 H LYS 3 HN LYS 3 4.168 -4.194 24.295 15 HA LYS 3 HA LYS 3 6.189 -3.853 25.449 16 HB2 LYS 3 HB2 LYS 3 6.773 -6.255 23.652 17 HB3 LYS 3 HB1 LYS 3 7.869 -5.733 24.926 18 HG2 LYS 3 HG2 LYS 3 6.073 -6.014 26.597 19 HG3 LYS 3 HG1 LYS 3 4.961 -6.514 25.328 20 HD2 LYS 3 HD2 LYS 3 6.369 -8.457 24.814 21 HD3 LYS 3 HD1 LYS 3 7.563 -7.933 25.996 22 HE2 LYS 3 HE2 LYS 3 4.929 -8.048 27.210 23 HE3 LYS 3 HE1 LYS 3 5.324 -9.591 26.465 24 HZ1 LYS 3 HZ1 LYS 3 6.321 -8.477 28.850 25 HZ2 LYS 3 HZ2 LYS 3 7.609 -8.721 27.771 26 HZ3 LYS 3 HZ3 LYS 3 6.601 -10.019 28.195 27 H LYS 4 HN LYS 4 6.294 -1.832 23.996 28 HA LYS 4 HA LYS 4 9.005 -1.816 22.813 29 HB2 LYS 4 HB2 LYS 4 7.412 -2.294 20.920 30 HB3 LYS 4 HB1 LYS 4 6.532 -0.821 21.310 31 HG2 LYS 4 HG2 LYS 4 8.321 0.572 20.656 32 HG3 LYS 4 HG1 LYS 4 9.500 -0.728 20.779 33 HD2 LYS 4 HD2 LYS 4 7.382 -1.389 18.881 34 HD3 LYS 4 HD1 LYS 4 8.193 0.111 18.443 35 HE2 LYS 4 HE2 LYS 4 9.449 -1.665 17.417 36 HE3 LYS 4 HE1 LYS 4 10.401 -1.112 18.790 37 HZ1 LYS 4 HZ1 LYS 4 9.899 -3.643 18.379 38 HZ2 LYS 4 HZ2 LYS 4 8.491 -3.270 19.252 39 HZ3 LYS 4 HZ3 LYS 4 10.017 -3.000 19.946 40 H ASP 5 HN ASP 5 9.549 0.496 22.106 41 HA ASP 5 HA ASP 5 10.126 2.569 23.050 42 HB2 ASP 5 HB2 ASP 5 8.152 4.111 22.949 43 HB3 ASP 5 HB1 ASP 5 8.197 3.052 21.545 44 H VAL 6 HN VAL 6 8.166 4.122 24.629 45 HA VAL 6 HA VAL 6 8.656 2.798 27.274 46 HB VAL 6 HB VAL 6 9.798 5.067 26.621 47 HG11 VAL 6 HG11 VAL 6 7.630 5.989 25.675 48 HG12 VAL 6 HG12 VAL 6 8.431 7.050 26.832 49 HG13 VAL 6 HG13 VAL 6 7.035 6.100 27.329 50 HG21 VAL 6 HG21 VAL 6 9.847 5.687 28.877 51 HG22 VAL 6 HG22 VAL 6 9.315 4.014 28.990 52 HG23 VAL 6 HG23 VAL 6 8.142 5.319 29.117 53 H ILE 7 HN ILE 7 7.112 3.755 29.014 54 HA ILE 7 HA ILE 7 4.343 3.490 27.922 55 HB ILE 7 HB ILE 7 5.500 3.118 30.733 56 HG12 ILE 7 HG12 ILE 7 4.370 0.758 30.101 57 HG13 ILE 7 HG11 ILE 7 4.767 1.303 28.474 58 HG21 ILE 7 HG21 ILE 7 3.176 4.005 30.819 59 HG22 ILE 7 HG22 ILE 7 3.162 2.301 31.262 60 HG23 ILE 7 HG23 ILE 7 2.647 2.796 29.653 61 HD11 ILE 7 HD11 ILE 7 6.706 1.112 30.805 62 HD12 ILE 7 HD12 ILE 7 7.112 1.706 29.199 63 HD13 ILE 7 HD13 ILE 7 6.646 0.023 29.424 64 H GLU 8 HN GLU 8 2.755 4.962 28.481 65 HA GLU 8 HA GLU 8 3.728 7.474 29.804 66 HB2 GLU 8 HB2 GLU 8 1.531 7.375 27.705 67 HB3 GLU 8 HB1 GLU 8 2.515 8.753 28.186 68 HG2 GLU 8 HG2 GLU 8 4.522 7.293 27.328 69 HG3 GLU 8 HG1 GLU 8 3.276 6.402 26.460 70 H LEU 9 HN LEU 9 2.616 8.084 31.540 71 HA LEU 9 HA LEU 9 -0.250 7.332 31.766 72 HB2 LEU 9 HB2 LEU 9 2.019 6.332 33.448 73 HB3 LEU 9 HB1 LEU 9 0.576 6.823 34.328 74 HG LEU 9 HG LEU 9 0.413 5.003 31.917 75 HD11 LEU 9 HD11 LEU 9 0.088 3.302 33.993 76 HD12 LEU 9 HD12 LEU 9 1.252 4.408 34.713 77 HD13 LEU 9 HD13 LEU 9 1.650 3.561 33.222 78 HD21 LEU 9 HD21 LEU 9 -1.525 6.337 33.282 79 HD22 LEU 9 HD22 LEU 9 -1.450 4.855 34.227 80 HD23 LEU 9 HD23 LEU 9 -1.796 4.782 32.502 81 H GLU 10 HN GLU 10 -1.406 8.539 33.360 82 HA GLU 10 HA GLU 10 -0.251 11.225 33.746 83 HB2 GLU 10 HB2 GLU 10 -3.033 10.173 34.423 84 HB3 GLU 10 HB1 GLU 10 -2.559 11.865 34.335 85 HG2 GLU 10 HG2 GLU 10 -2.005 11.567 31.924 86 HG3 GLU 10 HG1 GLU 10 -2.540 9.892 32.023 87 H GLY 11 HN GLY 11 0.142 12.195 35.691 88 HA2 GLY 11 HA2 GLY 11 -0.571 10.761 38.177 89 HA3 GLY 11 HA1 GLY 11 1.152 10.926 37.853 90 H THR 12 HN THR 12 -0.166 12.089 40.099 91 HA THR 12 HA THR 12 -0.257 14.980 39.345 92 HB THR 12 HB THR 12 -1.037 13.657 42.008 93 HG1 THR 12 HG1 THR 12 -2.488 12.889 40.644 94 HG21 THR 12 HG21 THR 12 -2.655 15.854 41.594 95 HG22 THR 12 HG22 THR 12 -1.185 16.412 40.802 96 HG23 THR 12 HG23 THR 12 -1.152 15.962 42.504 97 H VAL 13 HN VAL 13 1.292 16.337 39.968 98 HA VAL 13 HA VAL 13 3.713 15.259 41.103 99 HB VAL 13 HB VAL 13 2.840 18.172 40.871 100 HG11 VAL 13 HG21 VAL 13 5.198 18.680 40.967 101 HG12 VAL 13 HG22 VAL 13 5.625 16.975 40.869 102 HG13 VAL 13 HG23 VAL 13 4.857 17.607 42.321 103 HG21 VAL 13 HG11 VAL 13 2.753 16.745 38.759 104 HG22 VAL 13 HG12 VAL 13 4.494 16.551 38.931 105 HG23 VAL 13 HG13 VAL 13 3.807 18.153 38.682 106 H SER 14 HN SER 14 4.252 14.977 43.124 107 HA SER 14 HA SER 14 2.454 16.045 45.219 108 HB2 SER 14 HB2 SER 14 3.447 13.523 44.881 109 HB3 SER 14 HB1 SER 14 4.717 14.198 45.921 110 HG SER 14 HG SER 14 2.612 13.324 46.880 111 H GLU 15 HN GLU 15 5.877 16.012 44.300 112 HA GLU 15 HA GLU 15 6.241 18.487 45.863 113 HB2 GLU 15 HB2 GLU 15 6.697 16.260 47.276 114 HB3 GLU 15 HB1 GLU 15 8.216 16.253 46.389 115 HG2 GLU 15 HG2 GLU 15 8.632 18.600 47.148 116 HG3 GLU 15 HG1 GLU 15 7.151 18.528 48.099 117 H ALA 16 HN ALA 16 7.955 19.720 45.179 118 HA ALA 16 HA ALA 16 9.227 18.793 42.657 119 HB1 ALA 16 HB1 ALA 16 8.627 21.481 43.911 120 HB2 ALA 16 HB2 ALA 16 8.269 20.925 42.280 121 HB3 ALA 16 HB3 ALA 16 9.915 21.372 42.714 122 H LEU 17 HN LEU 17 11.144 17.824 42.970 123 HA LEU 17 HA LEU 17 12.885 18.799 45.149 124 HB2 LEU 17 HB2 LEU 17 13.508 16.426 43.404 125 HB3 LEU 17 HB1 LEU 17 13.944 16.694 45.087 126 HG LEU 17 HG LEU 17 11.121 16.292 44.088 127 HD11 LEU 17 HD21 LEU 17 12.426 14.234 43.872 128 HD12 LEU 17 HD22 LEU 17 11.330 14.089 45.240 129 HD13 LEU 17 HD23 LEU 17 13.036 14.427 45.512 130 HD21 LEU 17 HD11 LEU 17 10.689 16.002 46.550 131 HD22 LEU 17 HD12 LEU 17 11.182 17.633 46.103 132 HD23 LEU 17 HD13 LEU 17 12.341 16.535 46.845 133 HA PRO 18 HA PRO 18 15.550 20.931 42.381 134 HB2 PRO 18 HB2 PRO 18 17.972 20.265 43.805 135 HB3 PRO 18 HB1 PRO 18 17.047 21.763 43.923 136 HG2 PRO 18 HG2 PRO 18 17.209 19.581 45.863 137 HG3 PRO 18 HG1 PRO 18 16.418 21.147 46.048 138 HD2 PRO 18 HD1 PRO 18 15.139 18.613 45.688 139 HD3 PRO 18 HD2 PRO 18 14.369 20.211 45.703 140 H ASN 19 HN ASN 19 17.639 20.579 41.173 141 HA ASN 19 HA ASN 19 19.044 19.268 39.854 142 HB2 ASN 19 HB2 ASN 19 18.786 17.749 42.129 143 HB3 ASN 19 HB1 ASN 19 18.077 16.664 40.935 144 HD21 ASN 19 HD21 ASN 19 19.509 16.749 38.734 145 HD22 ASN 19 HD22 ASN 19 21.175 16.552 38.994 146 H ALA 20 HN ALA 20 15.935 19.588 39.594 147 HA ALA 20 HA ALA 20 14.479 19.166 37.793 148 HB1 ALA 20 HB1 ALA 20 16.385 17.233 36.492 149 HB2 ALA 20 HB2 ALA 20 16.979 18.871 36.699 150 HB3 ALA 20 HB3 ALA 20 15.516 18.581 35.780 151 H MET 21 HN MET 21 14.048 17.744 40.050 152 HA MET 21 HA MET 21 13.075 15.168 38.991 153 HB2 MET 21 HB2 MET 21 14.403 15.310 41.731 154 HB3 MET 21 HB1 MET 21 14.060 13.882 40.769 155 HG2 MET 21 HG2 MET 21 15.757 14.495 39.152 156 HG3 MET 21 HG1 MET 21 16.015 16.030 39.938 157 HE1 MET 21 HE1 MET 21 17.070 12.002 41.793 158 HE2 MET 21 HE2 MET 21 15.681 12.412 40.788 159 HE3 MET 21 HE3 MET 21 15.742 12.949 42.467 160 H PHE 22 HN PHE 22 11.135 14.588 39.862 161 HA PHE 22 HA PHE 22 10.092 16.190 42.142 162 HB2 PHE 22 HB2 PHE 22 8.269 15.302 39.905 163 HB3 PHE 22 HB1 PHE 22 8.046 16.623 41.039 164 HD1 PHE 22 HD1 PHE 22 8.520 16.001 37.741 165 HD2 PHE 22 HD2 PHE 22 10.267 18.354 40.816 166 HE1 PHE 22 HE1 PHE 22 9.122 17.703 36.090 167 HE2 PHE 22 HE2 PHE 22 10.863 20.069 39.164 168 HZ PHE 22 HZ PHE 22 10.276 19.742 36.804 169 H LYS 23 HN LYS 23 8.150 15.316 43.083 170 HA LYS 23 HA LYS 23 8.187 12.325 43.114 171 HB2 LYS 23 HB2 LYS 23 8.860 13.527 45.261 172 HB3 LYS 23 HB1 LYS 23 7.285 14.312 45.276 173 HG2 LYS 23 HG2 LYS 23 6.149 12.205 45.537 174 HG3 LYS 23 HG1 LYS 23 7.629 11.304 45.226 175 HD2 LYS 23 HD2 LYS 23 8.638 12.266 47.280 176 HD3 LYS 23 HD1 LYS 23 7.146 13.147 47.596 177 HE2 LYS 23 HE2 LYS 23 5.962 10.876 47.529 178 HE3 LYS 23 HE1 LYS 23 7.562 10.146 47.571 179 HZ1 LYS 23 HZ1 LYS 23 7.308 12.152 49.560 180 HZ2 LYS 23 HZ2 LYS 23 7.702 10.509 49.731 181 HZ3 LYS 23 HZ3 LYS 23 6.075 10.997 49.716 182 H VAL 24 HN VAL 24 6.467 11.594 41.960 183 HA VAL 24 HA VAL 24 3.973 13.259 41.972 184 HB VAL 24 HB VAL 24 4.772 11.023 40.068 185 HG11 VAL 24 HG11 VAL 24 2.987 11.772 38.703 186 HG12 VAL 24 HG12 VAL 24 2.856 13.299 39.565 187 HG13 VAL 24 HG13 VAL 24 2.310 11.811 40.324 188 HG21 VAL 24 HG21 VAL 24 5.240 13.021 38.531 189 HG22 VAL 24 HG22 VAL 24 6.425 12.713 39.797 190 HG23 VAL 24 HG23 VAL 24 5.243 14.002 39.990 191 H LYS 25 HN LYS 25 1.979 12.324 42.183 192 HA LYS 25 HA LYS 25 1.958 9.574 43.342 193 HB2 LYS 25 HB2 LYS 25 0.047 10.443 44.826 194 HB3 LYS 25 HB1 LYS 25 1.647 11.042 45.229 195 HG2 LYS 25 HG2 LYS 25 1.113 13.031 43.717 196 HG3 LYS 25 HG1 LYS 25 -0.547 12.471 43.751 197 HD2 LYS 25 HD2 LYS 25 1.017 12.892 46.296 198 HD3 LYS 25 HD1 LYS 25 0.136 14.212 45.532 199 HE2 LYS 25 HE2 LYS 25 -1.449 13.315 47.034 200 HE3 LYS 25 HE1 LYS 25 -1.877 12.556 45.506 201 HZ1 LYS 25 HZ1 LYS 25 0.067 11.201 47.216 202 HZ2 LYS 25 HZ2 LYS 25 -1.096 10.550 46.164 203 HZ3 LYS 25 HZ3 LYS 25 -1.567 11.161 47.677 204 H LEU 26 HN LEU 26 0.815 8.285 42.116 205 HA LEU 26 HA LEU 26 -1.063 9.312 40.181 206 HB2 LEU 26 HB2 LEU 26 -0.386 6.477 41.089 207 HB3 LEU 26 HB1 LEU 26 -1.399 6.856 39.699 208 HG LEU 26 HG LEU 26 0.837 8.430 39.267 209 HD11 LEU 26 HD21 LEU 26 2.787 7.106 39.688 210 HD12 LEU 26 HD22 LEU 26 1.822 5.710 40.158 211 HD13 LEU 26 HD23 LEU 26 1.888 7.126 41.202 212 HD21 LEU 26 HD11 LEU 26 0.443 5.582 38.298 213 HD22 LEU 26 HD12 LEU 26 1.285 6.878 37.456 214 HD23 LEU 26 HD13 LEU 26 -0.460 6.959 37.674 215 H GLU 27 HN GLU 27 -3.226 9.361 40.289 216 HA GLU 27 HA GLU 27 -4.620 9.507 42.685 217 HB2 GLU 27 HB2 GLU 27 -5.294 9.658 39.989 218 HB3 GLU 27 HB1 GLU 27 -6.184 8.228 40.502 219 HG2 GLU 27 HG2 GLU 27 -6.985 9.647 42.500 220 HG3 GLU 27 HG1 GLU 27 -6.373 11.039 41.612 221 H ASN 28 HN ASN 28 -3.439 6.694 41.127 222 HA ASN 28 HA ASN 28 -5.290 4.794 42.262 223 HB2 ASN 28 HB2 ASN 28 -2.518 4.668 41.040 224 HB3 ASN 28 HB1 ASN 28 -3.172 3.242 41.840 225 HD21 ASN 28 HD21 ASN 28 -3.132 2.310 39.558 226 HD22 ASN 28 HD22 ASN 28 -4.447 2.638 38.536 227 H GLY 29 HN GLY 29 -2.746 6.629 43.586 228 HA2 GLY 29 HA2 GLY 29 -2.571 6.723 46.046 229 HA3 GLY 29 HA1 GLY 29 -2.861 4.991 46.080 230 H HIS 30 HN HIS 30 -0.943 5.070 43.560 231 HA HIS 30 HA HIS 30 1.436 4.450 45.176 232 HB2 HIS 30 HB2 HIS 30 1.144 4.511 42.138 233 HB3 HIS 30 HB1 HIS 30 2.349 3.625 43.070 234 HD1 HIS 30 HD1 HIS 30 -1.040 3.363 41.927 235 HD2 HIS 30 HD2 HIS 30 1.285 1.441 44.626 236 HE1 HIS 30 HE1 HIS 30 -2.257 1.346 42.455 237 H GLU 31 HN GLU 31 3.565 5.290 44.544 238 HA GLU 31 HA GLU 31 3.476 8.071 43.540 239 HB2 GLU 31 HB2 GLU 31 5.201 8.617 45.321 240 HB3 GLU 31 HB1 GLU 31 3.629 8.193 45.991 241 HG2 GLU 31 HG2 GLU 31 4.459 5.812 46.214 242 HG3 GLU 31 HG1 GLU 31 6.057 6.387 45.746 243 H ILE 32 HN ILE 32 5.259 8.755 42.355 244 HA ILE 32 HA ILE 32 7.476 6.822 42.072 245 HB ILE 32 HB ILE 32 5.656 7.733 39.878 246 HG12 ILE 32 HG12 ILE 32 6.625 4.967 40.592 247 HG13 ILE 32 HG11 ILE 32 5.109 5.646 41.166 248 HG21 ILE 32 HG21 ILE 32 8.514 6.922 39.844 249 HG22 ILE 32 HG22 ILE 32 7.647 7.937 38.703 250 HG23 ILE 32 HG23 ILE 32 7.506 6.184 38.611 251 HD11 ILE 32 HD11 ILE 32 4.812 6.172 38.552 252 HD12 ILE 32 HD12 ILE 32 4.310 4.641 39.260 253 HD13 ILE 32 HD13 ILE 32 5.854 4.757 38.423 254 H LEU 33 HN LEU 33 9.386 7.689 41.272 255 HA LEU 33 HA LEU 33 9.548 10.597 41.567 256 HB2 LEU 33 HB2 LEU 33 11.551 8.334 41.206 257 HB3 LEU 33 HB1 LEU 33 12.065 10.008 41.042 258 HG LEU 33 HG LEU 33 11.428 10.524 43.298 259 HD11 LEU 33 HD21 LEU 33 10.011 7.850 43.168 260 HD12 LEU 33 HD22 LEU 33 9.315 9.431 43.509 261 HD13 LEU 33 HD23 LEU 33 10.350 8.651 44.701 262 HD21 LEU 33 HD11 LEU 33 13.548 9.288 43.139 263 HD22 LEU 33 HD12 LEU 33 12.682 7.756 43.210 264 HD23 LEU 33 HD13 LEU 33 12.700 8.824 44.611 265 H CYS 34 HN CYS 34 9.458 11.966 39.892 266 HA CYS 34 HA CYS 34 9.888 10.816 37.157 267 HB2 CYS 34 HB2 CYS 34 8.194 13.210 37.959 268 HB3 CYS 34 HB1 CYS 34 8.302 12.518 36.362 269 HG CYS 34 HG1 CYS 34 7.105 10.608 38.420 270 H HIS 35 HN HIS 35 11.338 11.739 35.877 271 HA HIS 35 HA HIS 35 12.812 14.075 36.969 272 HB2 HIS 35 HB2 HIS 35 13.407 11.904 34.920 273 HB3 HIS 35 HB1 HIS 35 14.367 13.380 34.941 274 HD1 HIS 35 HD1 HIS 35 16.167 11.526 35.759 275 HD2 HIS 35 HD2 HIS 35 13.353 12.532 38.497 276 HE1 HIS 35 HE1 HIS 35 17.093 10.814 37.879 277 H ILE 36 HN ILE 36 13.704 15.523 35.175 278 HA ILE 36 HA ILE 36 11.388 16.413 33.572 279 HB ILE 36 HB ILE 36 13.860 17.682 34.724 280 HG12 ILE 36 HG12 ILE 36 11.041 18.757 34.595 281 HG13 ILE 36 HG11 ILE 36 11.525 17.583 35.816 282 HG21 ILE 36 HG21 ILE 36 13.910 18.470 32.412 283 HG22 ILE 36 HG22 ILE 36 13.203 19.763 33.371 284 HG23 ILE 36 HG23 ILE 36 12.168 18.721 32.401 285 HD11 ILE 36 HD11 ILE 36 12.047 20.433 35.758 286 HD12 ILE 36 HD12 ILE 36 13.572 19.567 35.754 287 HD13 ILE 36 HD13 ILE 36 12.410 19.282 37.040 288 H SER 37 HN SER 37 11.542 16.856 31.404 289 HA SER 37 HA SER 37 13.720 15.457 30.001 290 HB2 SER 37 HB2 SER 37 11.072 15.343 29.529 291 HB3 SER 37 HB1 SER 37 11.419 16.784 28.557 292 HG SER 37 HG SER 37 12.532 15.604 27.215 293 H GLY 38 HN GLY 38 14.681 16.506 28.083 294 HA2 GLY 38 HA2 GLY 38 15.457 19.257 28.746 295 HA3 GLY 38 HA1 GLY 38 16.102 18.296 27.419 296 H LYS 39 HN LYS 39 13.503 17.671 26.283 297 HA LYS 39 HA LYS 39 13.228 19.951 24.592 298 HB2 LYS 39 HB2 LYS 39 11.837 17.329 24.960 299 HB3 LYS 39 HB1 LYS 39 10.911 18.581 24.140 300 HG2 LYS 39 HG2 LYS 39 13.753 18.164 23.296 301 HG3 LYS 39 HG1 LYS 39 12.560 16.975 22.785 302 HD2 LYS 39 HD2 LYS 39 11.208 18.692 21.733 303 HD3 LYS 39 HD1 LYS 39 12.222 19.965 22.400 304 HE2 LYS 39 HE2 LYS 39 12.730 19.422 19.991 305 HE3 LYS 39 HE1 LYS 39 14.114 19.248 21.063 306 HZ1 LYS 39 HZ1 LYS 39 12.489 16.875 20.747 307 HZ2 LYS 39 HZ2 LYS 39 14.178 17.046 20.771 308 HZ3 LYS 39 HZ3 LYS 39 13.310 17.378 19.349 309 H LEU 40 HN LEU 40 10.985 18.685 27.060 310 HA LEU 40 HA LEU 40 9.073 20.715 26.788 311 HB2 LEU 40 HB2 LEU 40 8.172 19.849 28.762 312 HB3 LEU 40 HB1 LEU 40 9.311 18.555 28.425 313 HG LEU 40 HG LEU 40 10.989 20.086 29.760 314 HD11 LEU 40 HD11 LEU 40 8.832 20.823 31.561 315 HD12 LEU 40 HD12 LEU 40 8.600 21.580 29.991 316 HD13 LEU 40 HD13 LEU 40 10.093 21.845 30.881 317 HD21 LEU 40 HD21 LEU 40 10.546 17.943 30.612 318 HD22 LEU 40 HD22 LEU 40 8.828 18.274 30.806 319 HD23 LEU 40 HD23 LEU 40 9.995 18.992 31.912 320 H ARG 41 HN ARG 41 12.286 20.927 28.040 321 HA ARG 41 HA ARG 41 11.768 23.329 29.597 322 HB2 ARG 41 HB2 ARG 41 14.398 22.349 28.378 323 HB3 ARG 41 HB1 ARG 41 14.242 23.552 29.647 324 HG2 ARG 41 HG2 ARG 41 13.000 20.867 30.035 325 HG3 ARG 41 HG1 ARG 41 14.729 21.030 30.261 326 HD2 ARG 41 HD2 ARG 41 12.829 21.552 32.194 327 HD3 ARG 41 HD1 ARG 41 14.466 22.196 32.209 328 HE ARG 41 HE ARG 41 12.949 23.967 30.637 329 HH11 ARG 41 HH11 ARG 41 12.388 22.469 33.637 330 HH12 ARG 41 HH12 ARG 41 11.956 23.923 34.473 331 HH21 ARG 41 HH21 ARG 41 12.678 25.962 31.714 332 HH22 ARG 41 HH22 ARG 41 12.125 25.952 33.355 333 H MET 42 HN MET 42 12.953 22.527 26.385 334 HA MET 42 HA MET 42 13.550 25.130 25.505 335 HB2 MET 42 HB2 MET 42 13.879 22.962 24.193 336 HB3 MET 42 HB1 MET 42 12.144 22.933 23.895 337 HG2 MET 42 HG2 MET 42 13.492 23.940 22.039 338 HG3 MET 42 HG1 MET 42 12.224 24.963 22.658 339 HE1 MET 42 HE1 MET 42 15.613 23.844 22.796 340 HE2 MET 42 HE2 MET 42 16.361 24.891 24.000 341 HE3 MET 42 HE3 MET 42 16.542 25.252 22.283 342 H ASN 43 HN ASN 43 10.507 23.496 26.066 343 HA ASN 43 HA ASN 43 8.994 25.746 24.846 344 HB2 ASN 43 HB2 ASN 43 8.207 23.082 26.122 345 HB3 ASN 43 HB1 ASN 43 7.008 24.274 25.623 346 HD21 ASN 43 HD21 ASN 43 9.262 21.855 24.486 347 HD22 ASN 43 HD22 ASN 43 8.873 21.983 22.838 348 H PHE 44 HN PHE 44 10.531 25.289 27.660 349 HA PHE 44 HA PHE 44 10.227 25.987 29.887 350 HB2 PHE 44 HB2 PHE 44 9.192 28.422 29.837 351 HB3 PHE 44 HB1 PHE 44 10.726 28.142 29.018 352 HD1 PHE 44 HD1 PHE 44 7.248 29.067 28.601 353 HD2 PHE 44 HD2 PHE 44 10.715 27.733 26.511 354 HE1 PHE 44 HE1 PHE 44 6.252 29.789 26.477 355 HE2 PHE 44 HE2 PHE 44 9.711 28.460 24.392 356 HZ PHE 44 HZ PHE 44 7.481 29.487 24.373 357 H ILE 45 HN ILE 45 8.752 24.475 30.670 358 HA ILE 45 HA ILE 45 5.940 25.428 30.843 359 HB ILE 45 HB ILE 45 6.943 22.558 31.041 360 HG12 ILE 45 HG12 ILE 45 7.194 23.783 28.766 361 HG13 ILE 45 HG11 ILE 45 6.377 22.225 28.781 362 HG21 ILE 45 HG21 ILE 45 4.194 23.885 30.848 363 HG22 ILE 45 HG22 ILE 45 4.790 22.849 32.142 364 HG23 ILE 45 HG23 ILE 45 4.429 22.162 30.563 365 HD11 ILE 45 HD11 ILE 45 4.207 23.272 28.701 366 HD12 ILE 45 HD12 ILE 45 5.187 24.059 27.469 367 HD13 ILE 45 HD13 ILE 45 4.897 24.862 29.008 368 H ARG 46 HN ARG 46 5.898 26.426 32.785 369 HA ARG 46 HA ARG 46 7.381 25.500 35.068 370 HB2 ARG 46 HB2 ARG 46 5.039 27.429 34.732 371 HB3 ARG 46 HB1 ARG 46 5.795 27.130 36.294 372 HG2 ARG 46 HG2 ARG 46 7.975 27.853 35.395 373 HG3 ARG 46 HG1 ARG 46 7.247 28.114 33.813 374 HD2 ARG 46 HD2 ARG 46 6.440 29.551 36.369 375 HD3 ARG 46 HD1 ARG 46 7.420 30.244 35.079 376 HE ARG 46 HE ARG 46 4.784 29.217 34.249 377 HH11 ARG 46 HH11 ARG 46 7.057 31.636 34.029 378 HH12 ARG 46 HH12 ARG 46 5.937 32.952 33.904 379 HH21 ARG 46 HH21 ARG 46 3.168 30.933 34.637 380 HH22 ARG 46 HH22 ARG 46 3.681 32.544 34.257 381 H ILE 47 HN ILE 47 6.957 23.712 36.154 382 HA ILE 47 HA ILE 47 4.122 22.771 36.347 383 HB ILE 47 HB ILE 47 6.829 21.392 36.438 384 HG12 ILE 47 HG12 ILE 47 4.577 20.130 35.040 385 HG13 ILE 47 HG11 ILE 47 4.914 21.754 34.454 386 HG21 ILE 47 HG21 ILE 47 4.146 20.468 37.562 387 HG22 ILE 47 HG22 ILE 47 5.730 20.387 38.330 388 HG23 ILE 47 HG23 ILE 47 5.338 19.299 37.003 389 HD11 ILE 47 HD11 ILE 47 6.235 19.810 33.367 390 HD12 ILE 47 HD12 ILE 47 7.136 19.747 34.880 391 HD13 ILE 47 HD13 ILE 47 7.160 21.210 33.900 392 H LEU 48 HN LEU 48 3.231 23.446 38.197 393 HA LEU 48 HA LEU 48 4.928 23.642 40.632 394 HB2 LEU 48 HB2 LEU 48 2.014 24.460 40.189 395 HB3 LEU 48 HB1 LEU 48 3.012 24.893 41.572 396 HG LEU 48 HG LEU 48 4.114 25.566 38.889 397 HD11 LEU 48 HD11 LEU 48 2.714 27.508 38.601 398 HD12 LEU 48 HD12 LEU 48 1.924 27.244 40.152 399 HD13 LEU 48 HD13 LEU 48 1.629 26.138 38.814 400 HD21 LEU 48 HD21 LEU 48 5.065 26.056 41.268 401 HD22 LEU 48 HD22 LEU 48 3.846 27.324 41.329 402 HD23 LEU 48 HD23 LEU 48 5.090 27.359 40.084 403 H GLU 49 HN GLU 49 4.717 22.302 42.327 404 HA GLU 49 HA GLU 49 3.647 19.788 42.162 405 HB2 GLU 49 HB2 GLU 49 3.492 19.964 44.761 406 HB3 GLU 49 HB1 GLU 49 5.069 20.276 44.041 407 HG2 GLU 49 HG2 GLU 49 3.206 22.599 44.335 408 HG3 GLU 49 HG1 GLU 49 3.966 21.980 45.798 409 H GLY 50 HN GLY 50 1.764 18.780 42.949 410 HA2 GLY 50 HA2 GLY 50 -0.506 18.744 43.701 411 HA3 GLY 50 HA1 GLY 50 -0.511 20.506 43.684 412 H ASP 51 HN ASP 51 0.823 20.101 40.885 413 HA ASP 51 HA ASP 51 -1.762 20.141 39.472 414 HB2 ASP 51 HB2 ASP 51 0.325 21.779 39.168 415 HB3 ASP 51 HB1 ASP 51 0.907 20.503 38.102 416 H LYS 52 HN LYS 52 -2.087 18.893 37.543 417 HA LYS 52 HA LYS 52 -0.962 16.257 37.797 418 HB2 LYS 52 HB2 LYS 52 -3.399 17.425 36.738 419 HB3 LYS 52 HB1 LYS 52 -2.672 16.370 35.531 420 HG2 LYS 52 HG2 LYS 52 -2.819 14.474 36.912 421 HG3 LYS 52 HG1 LYS 52 -2.911 15.432 38.386 422 HD2 LYS 52 HD2 LYS 52 -5.107 16.044 36.558 423 HD3 LYS 52 HD1 LYS 52 -5.079 14.340 36.994 424 HE2 LYS 52 HE2 LYS 52 -4.788 16.499 39.089 425 HE3 LYS 52 HE1 LYS 52 -6.374 15.949 38.560 426 HZ1 LYS 52 HZ1 LYS 52 -5.252 13.621 39.019 427 HZ2 LYS 52 HZ2 LYS 52 -6.033 14.505 40.241 428 HZ3 LYS 52 HZ3 LYS 52 -4.340 14.550 40.108 429 H VAL 53 HN VAL 53 0.190 15.162 36.383 430 HA VAL 53 HA VAL 53 1.031 16.569 33.897 431 HB VAL 53 HB VAL 53 3.384 16.284 34.509 432 HG11 VAL 53 HG21 VAL 53 1.882 17.428 36.863 433 HG12 VAL 53 HG22 VAL 53 2.183 18.297 35.360 434 HG13 VAL 53 HG23 VAL 53 3.531 17.823 36.390 435 HG21 VAL 53 HG11 VAL 53 2.292 14.979 37.006 436 HG22 VAL 53 HG12 VAL 53 3.986 15.395 36.765 437 HG23 VAL 53 HG13 VAL 53 3.222 14.186 35.738 438 H ASN 54 HN ASN 54 2.241 15.137 32.448 439 HA ASN 54 HA ASN 54 1.226 12.372 32.729 440 HB2 ASN 54 HB2 ASN 54 1.833 14.168 30.522 441 HB3 ASN 54 HB1 ASN 54 2.722 12.662 30.328 442 HD21 ASN 54 HD21 ASN 54 -0.408 14.119 30.126 443 HD22 ASN 54 HD22 ASN 54 -1.275 12.708 29.759 444 H VAL 55 HN VAL 55 2.471 10.868 33.569 445 HA VAL 55 HA VAL 55 5.393 11.335 33.672 446 HB VAL 55 HB VAL 55 3.598 9.416 35.216 447 HG11 VAL 55 HG11 VAL 55 5.610 9.050 36.623 448 HG12 VAL 55 HG12 VAL 55 6.545 10.070 35.534 449 HG13 VAL 55 HG13 VAL 55 5.886 8.541 34.960 450 HG21 VAL 55 HG21 VAL 55 4.359 10.984 37.129 451 HG22 VAL 55 HG22 VAL 55 3.138 11.599 36.022 452 HG23 VAL 55 HG23 VAL 55 4.812 12.099 35.851 453 H GLU 56 HN GLU 56 6.633 10.267 32.314 454 HA GLU 56 HA GLU 56 5.554 7.881 30.956 455 HB2 GLU 56 HB2 GLU 56 7.974 9.683 30.594 456 HB3 GLU 56 HB1 GLU 56 7.942 8.105 29.818 457 HG2 GLU 56 HG2 GLU 56 5.826 8.680 28.697 458 HG3 GLU 56 HG1 GLU 56 5.811 10.245 29.506 459 H LEU 57 HN LEU 57 5.989 5.899 31.703 460 HA LEU 57 HA LEU 57 8.115 5.643 33.773 461 HB2 LEU 57 HB2 LEU 57 5.967 3.658 32.872 462 HB3 LEU 57 HB1 LEU 57 6.995 3.498 34.294 463 HG LEU 57 HG LEU 57 5.422 6.025 34.019 464 HD11 LEU 57 HD11 LEU 57 4.259 3.297 34.625 465 HD12 LEU 57 HD12 LEU 57 3.657 4.507 33.496 466 HD13 LEU 57 HD13 LEU 57 3.519 4.775 35.231 467 HD21 LEU 57 HD21 LEU 57 6.950 5.679 35.910 468 HD22 LEU 57 HD22 LEU 57 6.136 4.172 36.316 469 HD23 LEU 57 HD23 LEU 57 5.287 5.703 36.482 470 H SER 58 HN SER 58 9.865 4.341 33.563 471 HA SER 58 HA SER 58 10.411 3.385 30.821 472 HB2 SER 58 HB2 SER 58 12.741 2.911 31.981 473 HB3 SER 58 HB1 SER 58 12.257 4.608 31.792 474 HG SER 58 HG SER 58 11.870 2.931 34.051 475 HA PRO 59 HA PRO 59 9.250 -0.774 31.908 476 HB2 PRO 59 HB2 PRO 59 10.995 -1.859 29.843 477 HB3 PRO 59 HB1 PRO 59 9.236 -1.719 29.809 478 HG2 PRO 59 HG2 PRO 59 11.171 -0.114 28.360 479 HG3 PRO 59 HG1 PRO 59 9.411 0.006 28.302 480 HD2 PRO 59 HD1 PRO 59 11.243 1.838 29.545 481 HD3 PRO 59 HD2 PRO 59 9.471 1.906 29.559 482 H TYR 60 HN TYR 60 12.233 0.612 32.251 483 HA TYR 60 HA TYR 60 13.541 -1.827 33.164 484 HB2 TYR 60 HB2 TYR 60 14.911 -0.405 31.685 485 HB3 TYR 60 HB1 TYR 60 14.585 0.999 32.696 486 HD1 TYR 60 HD1 TYR 60 16.492 1.604 33.909 487 HD2 TYR 60 HD2 TYR 60 15.623 -2.532 33.431 488 HE1 TYR 60 HE1 TYR 60 18.407 1.038 35.330 489 HE2 TYR 60 HE2 TYR 60 17.540 -3.098 34.853 490 HH TYR 60 HH TYR 60 18.869 -1.980 36.680 491 H ASP 61 HN ASP 61 11.795 0.816 34.186 492 HA ASP 61 HA ASP 61 12.344 0.120 36.973 493 HB2 ASP 61 HB2 ASP 61 12.651 2.943 35.854 494 HB3 ASP 61 HB1 ASP 61 12.684 2.542 37.567 495 H LEU 62 HN LEU 62 10.189 -0.636 36.937 496 HA LEU 62 HA LEU 62 8.003 1.069 36.162 497 HB2 LEU 62 HB2 LEU 62 8.012 -1.367 38.009 498 HB3 LEU 62 HB1 LEU 62 6.598 -0.691 37.205 499 HG LEU 62 HG LEU 62 8.436 -1.061 35.131 500 HD11 LEU 62 HD21 LEU 62 9.763 -2.430 36.808 501 HD12 LEU 62 HD22 LEU 62 9.277 -3.312 35.363 502 HD13 LEU 62 HD23 LEU 62 8.400 -3.543 36.873 503 HD21 LEU 62 HD11 LEU 62 5.964 -1.480 35.139 504 HD22 LEU 62 HD12 LEU 62 6.249 -2.957 36.055 505 HD23 LEU 62 HD13 LEU 62 6.871 -2.804 34.414 506 H THR 63 HN THR 63 9.987 2.004 38.144 507 HA THR 63 HA THR 63 8.008 2.972 40.153 508 HB THR 63 HB THR 63 10.894 2.141 40.810 509 HG1 THR 63 HG1 THR 63 9.038 0.594 40.199 510 HG21 THR 63 HG21 THR 63 9.183 2.030 43.064 511 HG22 THR 63 HG22 THR 63 8.689 3.511 42.251 512 HG23 THR 63 HG23 THR 63 10.361 3.303 42.764 513 H ARG 64 HN ARG 64 10.008 3.753 37.744 514 HA ARG 64 HA ARG 64 10.358 6.520 38.790 515 HB2 ARG 64 HB2 ARG 64 12.522 5.117 37.163 516 HB3 ARG 64 HB1 ARG 64 12.671 6.573 38.139 517 HG2 ARG 64 HG2 ARG 64 12.394 5.290 40.193 518 HG3 ARG 64 HG1 ARG 64 12.057 3.823 39.278 519 HD2 ARG 64 HD2 ARG 64 14.296 3.728 38.432 520 HD3 ARG 64 HD1 ARG 64 14.645 5.362 38.982 521 HE ARG 64 HE ARG 64 13.972 3.953 41.299 522 HH11 ARG 64 HH11 ARG 64 15.479 2.181 39.046 523 HH12 ARG 64 HH12 ARG 64 17.024 2.064 39.823 524 HH21 ARG 64 HH21 ARG 64 16.236 4.510 42.206 525 HH22 ARG 64 HH22 ARG 64 17.463 3.418 41.660 526 H GLY 65 HN GLY 65 9.872 8.036 37.308 527 HA2 GLY 65 HA2 GLY 65 9.783 7.273 34.436 528 HA3 GLY 65 HA1 GLY 65 8.319 7.919 35.170 529 H ARG 66 HN ARG 66 8.285 9.786 33.872 530 HA ARG 66 HA ARG 66 9.939 11.965 34.892 531 HB2 ARG 66 HB2 ARG 66 11.050 12.487 32.708 532 HB3 ARG 66 HB1 ARG 66 11.536 10.905 33.305 533 HG2 ARG 66 HG2 ARG 66 9.822 9.844 31.846 534 HG3 ARG 66 HG1 ARG 66 9.382 11.433 31.229 535 HD2 ARG 66 HD2 ARG 66 11.003 10.219 29.736 536 HD3 ARG 66 HD1 ARG 66 11.641 11.754 30.328 537 HE ARG 66 HE ARG 66 12.339 9.197 31.710 538 HH11 ARG 66 HH11 ARG 66 13.456 11.719 32.732 539 HH12 ARG 66 HH12 ARG 66 14.992 11.826 31.937 540 HH21 ARG 66 HH21 ARG 66 14.126 9.454 29.506 541 HH22 ARG 66 HH22 ARG 66 15.380 10.511 30.063 542 H ILE 67 HN ILE 67 9.293 14.030 34.217 543 HA ILE 67 HA ILE 67 6.527 14.122 33.095 544 HB ILE 67 HB ILE 67 8.256 16.402 34.191 545 HG12 ILE 67 HG12 ILE 67 8.128 14.807 35.957 546 HG13 ILE 67 HG11 ILE 67 6.882 16.004 36.298 547 HG21 ILE 67 HG21 ILE 67 6.386 17.452 33.252 548 HG22 ILE 67 HG22 ILE 67 5.648 16.990 34.781 549 HG23 ILE 67 HG23 ILE 67 5.395 16.000 33.347 550 HD11 ILE 67 HD11 ILE 67 5.281 14.462 35.018 551 HD12 ILE 67 HD12 ILE 67 5.819 13.899 36.598 552 HD13 ILE 67 HD13 ILE 67 6.543 13.240 35.135 553 H THR 68 HN THR 68 6.203 14.573 31.064 554 HA THR 68 HA THR 68 8.182 16.263 29.594 555 HB THR 68 HB THR 68 7.083 14.682 27.634 556 HG1 THR 68 HG1 THR 68 6.276 13.699 29.881 557 HG21 THR 68 HG21 THR 68 9.549 14.864 28.027 558 HG22 THR 68 HG22 THR 68 9.096 13.164 27.964 559 HG23 THR 68 HG23 THR 68 9.387 13.941 29.517 560 H TRP 69 HN TRP 69 5.192 16.320 30.826 561 HA TRP 69 HA TRP 69 4.329 18.425 29.059 562 HB2 TRP 69 HB2 TRP 69 2.228 16.664 28.504 563 HB3 TRP 69 HB1 TRP 69 3.551 17.016 27.395 564 HD1 TRP 69 HD1 TRP 69 3.902 14.964 30.652 565 HE1 TRP 69 HE1 TRP 69 4.874 12.730 29.965 566 HE3 TRP 69 HE3 TRP 69 3.537 15.556 25.781 567 HZ2 TRP 69 HZ2 TRP 69 5.325 11.260 27.366 568 HZ3 TRP 69 HZ3 TRP 69 4.188 13.822 24.167 569 HH2 TRP 69 HH2 TRP 69 5.087 11.676 24.960 570 H ARG 70 HN ARG 70 3.435 19.629 30.641 571 HA ARG 70 HA ARG 70 2.037 18.488 32.851 572 HB2 ARG 70 HB2 ARG 70 3.283 20.610 33.095 573 HB3 ARG 70 HB1 ARG 70 2.282 21.363 31.859 574 HG2 ARG 70 HG2 ARG 70 0.274 20.961 33.309 575 HG3 ARG 70 HG1 ARG 70 1.342 20.342 34.560 576 HD2 ARG 70 HD2 ARG 70 1.261 22.555 35.232 577 HD3 ARG 70 HD1 ARG 70 2.594 22.677 34.086 578 HE ARG 70 HE ARG 70 1.166 23.888 32.630 579 HH11 ARG 70 HH11 ARG 70 -0.156 24.219 35.492 580 HH12 ARG 70 HH12 ARG 70 -1.825 24.154 35.035 581 HH21 ARG 70 HH21 ARG 70 -1.110 22.954 31.823 582 HH22 ARG 70 HH22 ARG 70 -2.380 23.419 32.905 583 H LYS 71 HN LYS 71 -0.053 17.981 32.967 584 HA LYS 71 HA LYS 71 -1.824 17.901 30.838 585 HB2 LYS 71 HB2 LYS 71 -2.134 16.948 33.208 586 HB3 LYS 71 HB1 LYS 71 -2.666 18.550 33.703 587 HG2 LYS 71 HG2 LYS 71 -4.741 17.915 33.043 588 HG3 LYS 71 HG1 LYS 71 -4.146 18.065 31.394 589 HD2 LYS 71 HD2 LYS 71 -3.388 15.694 31.475 590 HD3 LYS 71 HD1 LYS 71 -4.047 15.555 33.101 591 HE2 LYS 71 HE2 LYS 71 -6.289 15.927 32.312 592 HE3 LYS 71 HE1 LYS 71 -5.717 16.403 30.719 593 HZ1 LYS 71 HZ1 LYS 71 -5.913 14.306 30.115 594 HZ2 LYS 71 HZ2 LYS 71 -6.299 13.823 31.697 595 HZ3 LYS 71 HZ3 LYS 71 -4.676 13.890 31.203 596 H LYS 72 HN LYS 72 -3.356 19.238 29.946 597 HA LYS 72 HA LYS 72 -3.862 21.896 31.068 598 HB2 LYS 72 HB2 LYS 72 -1.635 22.017 29.743 599 HB3 LYS 72 HB1 LYS 72 -2.592 21.714 28.297 600 HG2 LYS 72 HG2 LYS 72 -3.523 23.873 30.147 601 HG3 LYS 72 HG1 LYS 72 -2.107 24.206 29.157 602 HD2 LYS 72 HD2 LYS 72 -3.461 23.393 27.154 603 HD3 LYS 72 HD1 LYS 72 -4.871 23.400 28.206 604 HE2 LYS 72 HE2 LYS 72 -4.356 25.817 28.738 605 HE3 LYS 72 HE1 LYS 72 -3.119 25.767 27.489 606 HZ1 LYS 72 HZ1 LYS 72 -4.811 26.439 26.206 607 HZ2 LYS 72 HZ2 LYS 72 -6.007 25.815 27.239 608 HZ3 LYS 72 HZ3 LYS 72 -5.194 24.786 26.159 Start of MODEL 10 1 HA MET 1 HA MET 1 14.643 6.706 14.030 2 HB2 MET 1 HB2 MET 1 14.209 3.861 15.081 3 HB3 MET 1 HB1 MET 1 14.035 4.352 13.400 4 HG2 MET 1 HG2 MET 1 16.537 4.341 15.085 5 HG3 MET 1 HG1 MET 1 16.222 3.401 13.651 6 HE1 MET 1 HE1 MET 1 18.057 5.987 15.188 7 HE2 MET 1 HE2 MET 1 18.980 6.609 13.819 8 HE3 MET 1 HE3 MET 1 18.956 4.877 14.153 9 H ALA 2 HN ALA 2 13.074 7.805 16.047 10 HA ALA 2 HA ALA 2 10.842 8.296 16.558 11 HB1 ALA 2 HB1 ALA 2 10.952 8.474 13.966 12 HB2 ALA 2 HB2 ALA 2 9.349 8.235 14.658 13 HB3 ALA 2 HB3 ALA 2 10.207 6.880 13.933 14 H LYS 3 HN LYS 3 10.589 6.890 18.302 15 HA LYS 3 HA LYS 3 8.547 4.888 17.970 16 HB2 LYS 3 HB2 LYS 3 10.535 3.616 17.095 17 HB3 LYS 3 HB1 LYS 3 11.368 3.894 18.620 18 HG2 LYS 3 HG2 LYS 3 9.298 2.798 19.728 19 HG3 LYS 3 HG1 LYS 3 8.898 2.229 18.110 20 HD2 LYS 3 HD2 LYS 3 10.200 0.492 19.158 21 HD3 LYS 3 HD1 LYS 3 11.250 1.275 17.981 22 HE2 LYS 3 HE2 LYS 3 12.636 2.088 19.590 23 HE3 LYS 3 HE1 LYS 3 11.296 2.566 20.624 24 HZ1 LYS 3 HZ1 LYS 3 12.523 0.872 21.716 25 HZ2 LYS 3 HZ2 LYS 3 12.465 -0.143 20.356 26 HZ3 LYS 3 HZ3 LYS 3 11.045 0.195 21.222 27 H LYS 4 HN LYS 4 11.166 4.364 20.216 28 HA LYS 4 HA LYS 4 11.260 4.573 22.540 29 HB2 LYS 4 HB2 LYS 4 9.158 6.750 22.385 30 HB3 LYS 4 HB1 LYS 4 10.591 6.674 23.401 31 HG2 LYS 4 HG2 LYS 4 11.820 6.696 21.025 32 HG3 LYS 4 HG1 LYS 4 10.337 7.511 20.542 33 HD2 LYS 4 HD2 LYS 4 12.154 8.338 22.832 34 HD3 LYS 4 HD1 LYS 4 12.010 9.162 21.283 35 HE2 LYS 4 HE2 LYS 4 9.557 9.495 21.766 36 HE3 LYS 4 HE1 LYS 4 9.832 8.831 23.372 37 HZ1 LYS 4 HZ1 LYS 4 9.947 11.388 22.923 38 HZ2 LYS 4 HZ2 LYS 4 11.545 11.026 22.473 39 HZ3 LYS 4 HZ3 LYS 4 10.996 10.647 24.035 40 H ASP 5 HN ASP 5 10.341 2.753 23.303 41 HA ASP 5 HA ASP 5 7.366 2.614 23.468 42 HB2 ASP 5 HB2 ASP 5 8.689 0.662 22.513 43 HB3 ASP 5 HB1 ASP 5 9.469 0.473 24.081 44 H VAL 6 HN VAL 6 6.522 3.364 25.300 45 HA VAL 6 HA VAL 6 7.749 2.535 27.867 46 HB VAL 6 HB VAL 6 7.236 5.121 28.505 47 HG11 VAL 6 HG11 VAL 6 9.740 4.183 27.069 48 HG12 VAL 6 HG12 VAL 6 9.401 3.958 28.779 49 HG13 VAL 6 HG13 VAL 6 9.637 5.579 28.137 50 HG21 VAL 6 HG21 VAL 6 6.657 5.255 25.877 51 HG22 VAL 6 HG22 VAL 6 8.387 5.564 25.790 52 HG23 VAL 6 HG23 VAL 6 7.352 6.614 26.751 53 H ILE 7 HN ILE 7 6.356 3.390 29.736 54 HA ILE 7 HA ILE 7 3.507 2.899 28.978 55 HB ILE 7 HB ILE 7 4.826 2.883 31.741 56 HG12 ILE 7 HG12 ILE 7 5.861 1.173 30.350 57 HG13 ILE 7 HG11 ILE 7 4.758 0.395 31.479 58 HG21 ILE 7 HG21 ILE 7 2.642 1.168 31.761 59 HG22 ILE 7 HG22 ILE 7 2.090 2.409 30.641 60 HG23 ILE 7 HG23 ILE 7 2.567 2.849 32.278 61 HD11 ILE 7 HD11 ILE 7 4.219 -0.624 29.415 62 HD12 ILE 7 HD12 ILE 7 4.387 0.884 28.524 63 HD13 ILE 7 HD13 ILE 7 2.995 0.632 29.572 64 H GLU 8 HN GLU 8 2.656 4.841 28.482 65 HA GLU 8 HA GLU 8 3.315 7.222 30.061 66 HB2 GLU 8 HB2 GLU 8 1.190 6.814 27.901 67 HB3 GLU 8 HB1 GLU 8 1.799 8.363 28.476 68 HG2 GLU 8 HG2 GLU 8 3.788 8.158 27.325 69 HG3 GLU 8 HG1 GLU 8 3.830 6.406 27.502 70 H LEU 9 HN LEU 9 2.370 7.687 31.903 71 HA LEU 9 HA LEU 9 -0.528 7.020 32.249 72 HB2 LEU 9 HB2 LEU 9 1.838 6.341 34.005 73 HB3 LEU 9 HB1 LEU 9 0.306 6.714 34.785 74 HG LEU 9 HG LEU 9 0.707 4.612 32.628 75 HD11 LEU 9 HD11 LEU 9 0.233 3.028 34.491 76 HD12 LEU 9 HD12 LEU 9 0.206 4.382 35.617 77 HD13 LEU 9 HD13 LEU 9 1.700 3.956 34.785 78 HD21 LEU 9 HD21 LEU 9 -1.526 4.993 32.346 79 HD22 LEU 9 HD22 LEU 9 -1.656 5.887 33.857 80 HD23 LEU 9 HD23 LEU 9 -1.700 4.128 33.870 81 H GLU 10 HN GLU 10 -1.625 8.356 33.813 82 HA GLU 10 HA GLU 10 -0.472 11.074 33.858 83 HB2 GLU 10 HB2 GLU 10 -3.179 9.876 33.943 84 HB3 GLU 10 HB1 GLU 10 -2.980 11.247 35.028 85 HG2 GLU 10 HG2 GLU 10 -2.242 12.667 33.202 86 HG3 GLU 10 HG1 GLU 10 -2.188 11.297 32.097 87 H GLY 11 HN GLY 11 -0.089 12.276 35.704 88 HA2 GLY 11 HA2 GLY 11 -0.707 11.056 38.320 89 HA3 GLY 11 HA1 GLY 11 1.011 11.170 37.934 90 H THR 12 HN THR 12 -0.098 12.507 40.099 91 HA THR 12 HA THR 12 -0.082 15.350 39.174 92 HB THR 12 HB THR 12 -1.384 13.979 41.592 93 HG1 THR 12 HG1 THR 12 -2.261 15.757 39.547 94 HG21 THR 12 HG21 THR 12 -1.008 15.999 42.711 95 HG22 THR 12 HG22 THR 12 -2.140 16.690 41.552 96 HG23 THR 12 HG23 THR 12 -0.406 16.778 41.251 97 H VAL 13 HN VAL 13 1.547 16.616 39.810 98 HA VAL 13 HA VAL 13 3.779 15.430 41.192 99 HB VAL 13 HB VAL 13 3.150 18.395 40.842 100 HG11 VAL 13 HG21 VAL 13 5.808 16.948 41.042 101 HG12 VAL 13 HG22 VAL 13 5.028 17.743 42.405 102 HG13 VAL 13 HG23 VAL 13 5.553 18.690 41.016 103 HG21 VAL 13 HG11 VAL 13 3.042 17.008 38.734 104 HG22 VAL 13 HG12 VAL 13 4.722 16.563 39.020 105 HG23 VAL 13 HG13 VAL 13 4.293 18.245 38.725 106 H SER 14 HN SER 14 3.891 14.939 43.234 107 HA SER 14 HA SER 14 2.211 16.441 45.164 108 HB2 SER 14 HB2 SER 14 3.747 13.799 45.315 109 HB3 SER 14 HB1 SER 14 2.932 14.514 46.719 110 HG SER 14 HG SER 14 1.031 14.215 45.797 111 H GLU 15 HN GLU 15 5.603 15.727 44.455 112 HA GLU 15 HA GLU 15 6.330 17.878 46.394 113 HB2 GLU 15 HB2 GLU 15 6.600 15.270 47.151 114 HB3 GLU 15 HB1 GLU 15 8.128 15.474 46.302 115 HG2 GLU 15 HG2 GLU 15 8.768 17.316 47.719 116 HG3 GLU 15 HG1 GLU 15 7.151 17.422 48.414 117 H ALA 16 HN ALA 16 8.440 18.770 46.058 118 HA ALA 16 HA ALA 16 9.498 18.281 43.305 119 HB1 ALA 16 HB1 ALA 16 9.584 20.586 42.915 120 HB2 ALA 16 HB2 ALA 16 9.831 20.962 44.619 121 HB3 ALA 16 HB3 ALA 16 8.222 20.554 44.031 122 H LEU 17 HN LEU 17 11.457 17.445 43.371 123 HA LEU 17 HA LEU 17 13.151 17.974 45.731 124 HB2 LEU 17 HB2 LEU 17 13.710 16.072 43.432 125 HB3 LEU 17 HB1 LEU 17 14.402 16.024 45.051 126 HG LEU 17 HG LEU 17 11.460 15.683 44.431 127 HD11 LEU 17 HD21 LEU 17 12.796 13.782 43.594 128 HD12 LEU 17 HD22 LEU 17 11.859 13.303 45.006 129 HD13 LEU 17 HD23 LEU 17 13.580 13.638 45.163 130 HD21 LEU 17 HD11 LEU 17 13.127 15.742 46.919 131 HD22 LEU 17 HD12 LEU 17 11.712 14.695 46.872 132 HD23 LEU 17 HD13 LEU 17 11.532 16.431 46.632 133 HA PRO 18 HA PRO 18 15.750 20.822 43.638 134 HB2 PRO 18 HB2 PRO 18 18.209 19.807 44.777 135 HB3 PRO 18 HB1 PRO 18 17.281 21.205 45.319 136 HG2 PRO 18 HG2 PRO 18 17.484 18.577 46.581 137 HG3 PRO 18 HG1 PRO 18 16.681 20.023 47.197 138 HD2 PRO 18 HD1 PRO 18 15.421 17.669 46.172 139 HD3 PRO 18 HD2 PRO 18 14.637 19.193 46.630 140 H ASN 19 HN ASN 19 17.251 20.934 41.942 141 HA ASN 19 HA ASN 19 18.634 20.153 40.210 142 HB2 ASN 19 HB2 ASN 19 19.219 18.379 42.193 143 HB3 ASN 19 HB1 ASN 19 18.424 17.280 41.071 144 HD21 ASN 19 HD21 ASN 19 19.296 17.323 38.765 145 HD22 ASN 19 HD22 ASN 19 20.947 17.647 38.542 146 H ALA 20 HN ALA 20 15.952 20.496 39.771 147 HA ALA 20 HA ALA 20 14.187 19.874 38.352 148 HB1 ALA 20 HB1 ALA 20 16.366 20.013 36.864 149 HB2 ALA 20 HB2 ALA 20 14.939 19.241 36.181 150 HB3 ALA 20 HB3 ALA 20 16.253 18.257 36.820 151 H MET 21 HN MET 21 13.895 18.367 40.422 152 HA MET 21 HA MET 21 13.183 15.737 39.307 153 HB2 MET 21 HB2 MET 21 15.023 16.280 41.665 154 HB3 MET 21 HB1 MET 21 14.040 14.821 41.649 155 HG2 MET 21 HG2 MET 21 14.965 14.462 39.270 156 HG3 MET 21 HG1 MET 21 16.151 15.673 39.676 157 HE1 MET 21 HE1 MET 21 17.395 15.461 42.088 158 HE2 MET 21 HE2 MET 21 17.752 13.912 42.857 159 HE3 MET 21 HE3 MET 21 16.120 14.579 42.930 160 H PHE 22 HN PHE 22 11.357 14.922 40.223 161 HA PHE 22 HA PHE 22 10.270 16.155 42.640 162 HB2 PHE 22 HB2 PHE 22 8.011 16.500 41.221 163 HB3 PHE 22 HB1 PHE 22 9.234 17.752 41.258 164 HD1 PHE 22 HD1 PHE 22 8.267 18.597 39.121 165 HD2 PHE 22 HD2 PHE 22 10.028 14.734 39.325 166 HE1 PHE 22 HE1 PHE 22 8.421 18.507 36.677 167 HE2 PHE 22 HE2 PHE 22 10.247 14.719 36.896 168 HZ PHE 22 HZ PHE 22 9.453 16.596 35.586 169 H LYS 23 HN LYS 23 8.173 15.270 43.265 170 HA LYS 23 HA LYS 23 8.063 12.368 42.584 171 HB2 LYS 23 HB2 LYS 23 8.480 12.917 44.986 172 HB3 LYS 23 HB1 LYS 23 7.042 13.933 45.012 173 HG2 LYS 23 HG2 LYS 23 5.613 12.004 44.566 174 HG3 LYS 23 HG1 LYS 23 7.021 10.966 44.379 175 HD2 LYS 23 HD2 LYS 23 6.663 12.530 46.923 176 HD3 LYS 23 HD1 LYS 23 5.762 11.037 46.691 177 HE2 LYS 23 HE2 LYS 23 8.770 11.397 46.652 178 HE3 LYS 23 HE1 LYS 23 7.825 10.443 47.787 179 HZ1 LYS 23 HZ1 LYS 23 7.103 9.407 45.411 180 HZ2 LYS 23 HZ2 LYS 23 8.298 8.763 46.430 181 HZ3 LYS 23 HZ3 LYS 23 8.739 9.780 45.144 182 H VAL 24 HN VAL 24 6.143 11.468 41.943 183 HA VAL 24 HA VAL 24 3.796 13.303 41.718 184 HB VAL 24 HB VAL 24 5.129 11.615 39.589 185 HG11 VAL 24 HG11 VAL 24 2.953 10.867 39.226 186 HG12 VAL 24 HG12 VAL 24 2.936 12.353 38.283 187 HG13 VAL 24 HG13 VAL 24 2.234 12.327 39.898 188 HG21 VAL 24 HG21 VAL 24 5.305 14.256 40.127 189 HG22 VAL 24 HG22 VAL 24 3.895 14.267 39.075 190 HG23 VAL 24 HG23 VAL 24 5.421 13.611 38.496 191 H LYS 25 HN LYS 25 1.949 12.453 42.310 192 HA LYS 25 HA LYS 25 1.949 9.557 43.025 193 HB2 LYS 25 HB2 LYS 25 0.191 10.097 44.569 194 HB3 LYS 25 HB1 LYS 25 1.294 11.464 44.674 195 HG2 LYS 25 HG2 LYS 25 -0.159 12.537 42.828 196 HG3 LYS 25 HG1 LYS 25 -1.346 11.298 43.221 197 HD2 LYS 25 HD2 LYS 25 -0.465 12.356 45.700 198 HD3 LYS 25 HD1 LYS 25 -0.745 13.741 44.650 199 HE2 LYS 25 HE2 LYS 25 -2.705 11.512 45.276 200 HE3 LYS 25 HE1 LYS 25 -2.833 13.196 45.767 201 HZ1 LYS 25 HZ1 LYS 25 -2.689 12.418 42.923 202 HZ2 LYS 25 HZ2 LYS 25 -3.242 13.877 43.596 203 HZ3 LYS 25 HZ3 LYS 25 -4.165 12.461 43.764 204 H LEU 26 HN LEU 26 0.800 8.130 41.907 205 HA LEU 26 HA LEU 26 -0.788 9.061 39.650 206 HB2 LEU 26 HB2 LEU 26 -0.182 6.248 40.671 207 HB3 LEU 26 HB1 LEU 26 -0.888 6.633 39.105 208 HG LEU 26 HG LEU 26 1.299 8.217 39.002 209 HD11 LEU 26 HD21 LEU 26 3.193 6.669 39.848 210 HD12 LEU 26 HD22 LEU 26 1.958 5.929 40.857 211 HD13 LEU 26 HD23 LEU 26 2.343 7.637 41.047 212 HD21 LEU 26 HD11 LEU 26 1.367 5.247 38.392 213 HD22 LEU 26 HD12 LEU 26 2.278 6.512 37.575 214 HD23 LEU 26 HD13 LEU 26 0.529 6.430 37.392 215 H GLU 27 HN GLU 27 -2.843 7.643 39.259 216 HA GLU 27 HA GLU 27 -4.702 8.356 41.366 217 HB2 GLU 27 HB2 GLU 27 -5.351 6.435 39.107 218 HB3 GLU 27 HB1 GLU 27 -6.375 7.679 39.816 219 HG2 GLU 27 HG2 GLU 27 -3.930 8.151 38.072 220 HG3 GLU 27 HG1 GLU 27 -5.608 8.423 37.608 221 H ASN 28 HN ASN 28 -3.082 5.429 40.349 222 HA ASN 28 HA ASN 28 -4.703 3.560 41.776 223 HB2 ASN 28 HB2 ASN 28 -2.848 3.075 40.042 224 HB3 ASN 28 HB1 ASN 28 -1.685 3.360 41.333 225 HD21 ASN 28 HD21 ASN 28 -4.255 2.130 42.957 226 HD22 ASN 28 HD22 ASN 28 -3.887 0.473 42.899 227 H GLY 29 HN GLY 29 -2.703 6.025 42.896 228 HA2 GLY 29 HA2 GLY 29 -2.621 6.601 45.250 229 HA3 GLY 29 HA1 GLY 29 -2.851 4.903 45.646 230 H HIS 30 HN HIS 30 -0.699 4.613 43.307 231 HA HIS 30 HA HIS 30 1.529 4.442 45.224 232 HB2 HIS 30 HB2 HIS 30 1.403 3.835 42.233 233 HB3 HIS 30 HB1 HIS 30 2.693 3.343 43.332 234 HD1 HIS 30 HD1 HIS 30 -0.702 2.509 42.428 235 HD2 HIS 30 HD2 HIS 30 1.952 1.391 45.272 236 HE1 HIS 30 HE1 HIS 30 -1.687 0.563 43.449 237 H GLU 31 HN GLU 31 3.602 5.373 44.824 238 HA GLU 31 HA GLU 31 3.462 7.949 43.348 239 HB2 GLU 31 HB2 GLU 31 5.031 7.165 45.846 240 HB3 GLU 31 HB1 GLU 31 5.203 8.713 45.025 241 HG2 GLU 31 HG2 GLU 31 2.822 9.206 45.412 242 HG3 GLU 31 HG1 GLU 31 2.606 7.634 46.179 243 H ILE 32 HN ILE 32 5.252 8.597 42.155 244 HA ILE 32 HA ILE 32 7.462 6.646 41.890 245 HB ILE 32 HB ILE 32 5.706 7.668 39.692 246 HG12 ILE 32 HG12 ILE 32 6.530 4.841 40.329 247 HG13 ILE 32 HG11 ILE 32 5.089 5.583 41.016 248 HG21 ILE 32 HG21 ILE 32 7.514 5.988 38.473 249 HG22 ILE 32 HG22 ILE 32 8.531 6.758 39.682 250 HG23 ILE 32 HG23 ILE 32 7.687 7.741 38.495 251 HD11 ILE 32 HD11 ILE 32 4.770 6.199 38.368 252 HD12 ILE 32 HD12 ILE 32 4.072 4.776 39.133 253 HD13 ILE 32 HD13 ILE 32 5.590 4.645 38.252 254 H LEU 33 HN LEU 33 9.400 7.503 41.095 255 HA LEU 33 HA LEU 33 9.647 10.367 41.576 256 HB2 LEU 33 HB2 LEU 33 11.606 8.152 40.828 257 HB3 LEU 33 HB1 LEU 33 12.109 9.833 40.971 258 HG LEU 33 HG LEU 33 11.453 9.908 43.294 259 HD11 LEU 33 HD21 LEU 33 10.202 7.226 42.665 260 HD12 LEU 33 HD22 LEU 33 9.415 8.665 43.307 261 HD13 LEU 33 HD23 LEU 33 10.518 7.740 44.318 262 HD21 LEU 33 HD11 LEU 33 13.621 8.713 42.639 263 HD22 LEU 33 HD12 LEU 33 12.756 7.201 42.898 264 HD23 LEU 33 HD13 LEU 33 12.990 8.322 44.236 265 H CYS 34 HN CYS 34 10.516 11.859 40.020 266 HA CYS 34 HA CYS 34 10.446 10.899 37.218 267 HB2 CYS 34 HB2 CYS 34 8.866 13.308 38.162 268 HB3 CYS 34 HB1 CYS 34 8.891 12.654 36.548 269 HG CYS 34 HG1 CYS 34 7.114 11.701 38.828 270 H HIS 35 HN HIS 35 11.409 12.259 35.724 271 HA HIS 35 HA HIS 35 13.065 14.460 36.912 272 HB2 HIS 35 HB2 HIS 35 14.170 12.103 36.190 273 HB3 HIS 35 HB1 HIS 35 14.075 12.815 34.582 274 HD1 HIS 35 HD1 HIS 35 16.302 12.689 37.209 275 HD2 HIS 35 HD2 HIS 35 15.156 15.709 34.756 276 HE1 HIS 35 HE1 HIS 35 18.079 14.326 37.379 277 H ILE 36 HN ILE 36 13.320 16.259 35.635 278 HA ILE 36 HA ILE 36 11.278 16.665 33.646 279 HB ILE 36 HB ILE 36 13.612 18.249 34.731 280 HG12 ILE 36 HG12 ILE 36 10.801 19.227 34.409 281 HG13 ILE 36 HG11 ILE 36 11.110 17.967 35.593 282 HG21 ILE 36 HG21 ILE 36 12.452 20.083 33.101 283 HG22 ILE 36 HG22 ILE 36 12.130 18.651 32.127 284 HG23 ILE 36 HG23 ILE 36 13.787 19.084 32.536 285 HD11 ILE 36 HD11 ILE 36 11.321 20.338 36.487 286 HD12 ILE 36 HD12 ILE 36 12.743 20.510 35.464 287 HD13 ILE 36 HD13 ILE 36 12.726 19.313 36.755 288 H SER 37 HN SER 37 11.362 16.576 31.488 289 HA SER 37 HA SER 37 13.806 15.427 30.307 290 HB2 SER 37 HB2 SER 37 10.886 15.486 29.627 291 HB3 SER 37 HB1 SER 37 12.001 15.475 28.246 292 HG SER 37 HG SER 37 11.641 13.356 28.977 293 H GLY 38 HN GLY 38 14.440 16.207 28.118 294 HA2 GLY 38 HA2 GLY 38 14.777 19.116 28.214 295 HA3 GLY 38 HA1 GLY 38 15.490 18.033 27.024 296 H LYS 39 HN LYS 39 12.430 17.082 26.972 297 HA LYS 39 HA LYS 39 11.859 18.523 24.543 298 HB2 LYS 39 HB2 LYS 39 10.677 16.305 26.116 299 HB3 LYS 39 HB1 LYS 39 9.488 17.279 25.259 300 HG2 LYS 39 HG2 LYS 39 10.593 16.890 23.142 301 HG3 LYS 39 HG1 LYS 39 11.959 16.115 23.940 302 HD2 LYS 39 HD2 LYS 39 9.910 14.613 24.923 303 HD3 LYS 39 HD1 LYS 39 9.255 15.038 23.347 304 HE2 LYS 39 HE2 LYS 39 10.485 13.034 22.974 305 HE3 LYS 39 HE1 LYS 39 11.532 14.319 22.387 306 HZ1 LYS 39 HZ1 LYS 39 12.628 12.626 23.821 307 HZ2 LYS 39 HZ2 LYS 39 11.709 13.206 25.125 308 HZ3 LYS 39 HZ3 LYS 39 12.818 14.230 24.347 309 H LEU 40 HN LEU 40 9.984 18.256 27.533 310 HA LEU 40 HA LEU 40 8.259 20.399 26.934 311 HB2 LEU 40 HB2 LEU 40 7.527 20.161 29.168 312 HB3 LEU 40 HB1 LEU 40 8.332 18.618 28.943 313 HG LEU 40 HG LEU 40 10.441 20.149 29.754 314 HD11 LEU 40 HD11 LEU 40 7.910 21.253 31.010 315 HD12 LEU 40 HD12 LEU 40 9.209 22.153 30.239 316 HD13 LEU 40 HD13 LEU 40 9.477 21.385 31.796 317 HD21 LEU 40 HD21 LEU 40 10.042 18.049 30.762 318 HD22 LEU 40 HD22 LEU 40 8.423 18.508 31.278 319 HD23 LEU 40 HD23 LEU 40 9.830 19.193 32.083 320 H ARG 41 HN ARG 41 11.559 20.387 27.804 321 HA ARG 41 HA ARG 41 11.618 23.032 28.913 322 HB2 ARG 41 HB2 ARG 41 13.453 21.525 29.404 323 HB3 ARG 41 HB1 ARG 41 13.696 21.163 27.705 324 HG2 ARG 41 HG2 ARG 41 13.840 24.017 28.243 325 HG3 ARG 41 HG1 ARG 41 15.020 23.106 29.167 326 HD2 ARG 41 HD2 ARG 41 14.629 22.591 26.221 327 HD3 ARG 41 HD1 ARG 41 15.714 23.861 26.787 328 HE ARG 41 HE ARG 41 16.158 21.224 28.009 329 HH11 ARG 41 HH11 ARG 41 18.207 23.368 27.746 330 HH12 ARG 41 HH12 ARG 41 19.193 22.786 26.447 331 HH21 ARG 41 HH21 ARG 41 16.776 20.483 25.380 332 HH22 ARG 41 HH22 ARG 41 18.362 21.109 25.070 333 H MET 42 HN MET 42 12.153 21.575 25.742 334 HA MET 42 HA MET 42 12.944 23.960 24.414 335 HB2 MET 42 HB2 MET 42 11.681 21.338 23.568 336 HB3 MET 42 HB1 MET 42 11.791 22.643 22.391 337 HG2 MET 42 HG2 MET 42 14.101 21.527 23.992 338 HG3 MET 42 HG1 MET 42 13.750 21.112 22.336 339 HE1 MET 42 HE1 MET 42 16.057 21.230 22.487 340 HE2 MET 42 HE2 MET 42 17.084 22.658 22.625 341 HE3 MET 42 HE3 MET 42 16.385 22.222 21.066 342 H ASN 43 HN ASN 43 9.854 22.724 25.455 343 HA ASN 43 HA ASN 43 8.242 24.436 23.772 344 HB2 ASN 43 HB2 ASN 43 7.600 23.248 26.520 345 HB3 ASN 43 HB1 ASN 43 6.422 23.821 25.341 346 HD21 ASN 43 HD21 ASN 43 8.707 22.566 23.396 347 HD22 ASN 43 HD22 ASN 43 8.184 20.954 23.288 348 H PHE 44 HN PHE 44 10.404 25.211 26.106 349 HA PHE 44 HA PHE 44 10.845 27.117 27.360 350 HB2 PHE 44 HB2 PHE 44 10.597 28.282 25.222 351 HB3 PHE 44 HB1 PHE 44 8.847 28.226 25.322 352 HD1 PHE 44 HD1 PHE 44 8.181 30.477 25.428 353 HD2 PHE 44 HD2 PHE 44 11.318 29.140 27.988 354 HE1 PHE 44 HE1 PHE 44 8.173 32.643 26.579 355 HE2 PHE 44 HE2 PHE 44 11.298 31.311 29.133 356 HZ PHE 44 HZ PHE 44 9.728 33.062 28.428 357 H ILE 45 HN ILE 45 9.314 25.542 28.797 358 HA ILE 45 HA ILE 45 7.659 27.413 30.327 359 HB ILE 45 HB ILE 45 6.585 24.792 29.183 360 HG12 ILE 45 HG12 ILE 45 5.675 27.668 28.824 361 HG13 ILE 45 HG11 ILE 45 6.490 26.686 27.618 362 HG21 ILE 45 HG21 ILE 45 5.667 24.950 31.400 363 HG22 ILE 45 HG22 ILE 45 4.438 25.732 30.419 364 HG23 ILE 45 HG23 ILE 45 5.579 26.707 31.333 365 HD11 ILE 45 HD11 ILE 45 4.447 25.020 28.308 366 HD12 ILE 45 HD12 ILE 45 4.373 26.151 26.960 367 HD13 ILE 45 HD13 ILE 45 3.679 26.590 28.517 368 H ARG 46 HN ARG 46 6.808 26.226 32.356 369 HA ARG 46 HA ARG 46 8.644 24.063 33.182 370 HB2 ARG 46 HB2 ARG 46 9.279 25.241 35.199 371 HB3 ARG 46 HB1 ARG 46 9.494 26.389 33.883 372 HG2 ARG 46 HG2 ARG 46 7.169 27.252 34.354 373 HG3 ARG 46 HG1 ARG 46 7.132 26.215 35.778 374 HD2 ARG 46 HD2 ARG 46 7.893 28.637 36.170 375 HD3 ARG 46 HD1 ARG 46 8.966 27.384 36.790 376 HE ARG 46 HE ARG 46 10.579 28.078 35.211 377 HH11 ARG 46 HH11 ARG 46 10.315 28.036 32.700 378 HH12 ARG 46 HH12 ARG 46 9.579 29.482 32.097 379 HH21 ARG 46 HH21 ARG 46 8.371 30.422 35.251 380 HH22 ARG 46 HH22 ARG 46 8.448 30.869 33.579 381 H ILE 47 HN ILE 47 7.980 23.043 35.225 382 HA ILE 47 HA ILE 47 4.997 23.052 35.454 383 HB ILE 47 HB ILE 47 7.148 20.942 35.855 384 HG12 ILE 47 HG12 ILE 47 5.281 19.725 34.434 385 HG13 ILE 47 HG11 ILE 47 4.758 21.366 34.085 386 HG21 ILE 47 HG21 ILE 47 5.123 19.495 36.624 387 HG22 ILE 47 HG22 ILE 47 4.266 21.012 36.877 388 HG23 ILE 47 HG23 ILE 47 5.722 20.658 37.800 389 HD11 ILE 47 HD11 ILE 47 7.630 20.459 33.745 390 HD12 ILE 47 HD12 ILE 47 6.899 21.947 33.152 391 HD13 ILE 47 HD13 ILE 47 6.448 20.402 32.437 392 H LEU 48 HN LEU 48 4.027 23.001 37.474 393 HA LEU 48 HA LEU 48 5.819 23.616 39.797 394 HB2 LEU 48 HB2 LEU 48 3.105 24.873 39.146 395 HB3 LEU 48 HB1 LEU 48 4.116 25.276 40.530 396 HG LEU 48 HG LEU 48 5.166 25.495 37.702 397 HD11 LEU 48 HD11 LEU 48 4.614 27.965 37.935 398 HD12 LEU 48 HD12 LEU 48 3.606 27.538 39.314 399 HD13 LEU 48 HD13 LEU 48 3.214 26.921 37.712 400 HD21 LEU 48 HD21 LEU 48 6.518 27.320 38.984 401 HD22 LEU 48 HD22 LEU 48 6.924 25.631 39.271 402 HD23 LEU 48 HD23 LEU 48 5.939 26.510 40.436 403 H GLU 49 HN GLU 49 5.356 22.576 41.650 404 HA GLU 49 HA GLU 49 4.013 20.228 41.840 405 HB2 GLU 49 HB2 GLU 49 4.050 22.354 44.028 406 HB3 GLU 49 HB1 GLU 49 3.854 20.624 44.282 407 HG2 GLU 49 HG2 GLU 49 6.077 20.159 43.780 408 HG3 GLU 49 HG1 GLU 49 6.254 21.589 42.764 409 H GLY 50 HN GLY 50 1.992 19.506 42.590 410 HA2 GLY 50 HA2 GLY 50 -0.337 19.693 43.020 411 HA3 GLY 50 HA1 GLY 50 -0.190 21.445 42.910 412 H ASP 51 HN ASP 51 1.366 20.590 40.279 413 HA ASP 51 HA ASP 51 -1.044 20.882 38.613 414 HB2 ASP 51 HB2 ASP 51 1.939 20.978 37.991 415 HB3 ASP 51 HB1 ASP 51 0.684 21.203 36.777 416 H LYS 52 HN LYS 52 -1.810 19.299 37.311 417 HA LYS 52 HA LYS 52 -0.772 16.672 37.674 418 HB2 LYS 52 HB2 LYS 52 -2.539 16.353 35.648 419 HB3 LYS 52 HB1 LYS 52 -3.055 16.496 37.323 420 HG2 LYS 52 HG2 LYS 52 -2.588 18.991 35.745 421 HG3 LYS 52 HG1 LYS 52 -4.066 18.080 35.463 422 HD2 LYS 52 HD2 LYS 52 -3.197 18.747 38.276 423 HD3 LYS 52 HD1 LYS 52 -4.078 19.931 37.315 424 HE2 LYS 52 HE2 LYS 52 -6.016 18.644 37.253 425 HE3 LYS 52 HE1 LYS 52 -5.145 17.131 37.449 426 HZ1 LYS 52 HZ1 LYS 52 -5.983 17.326 39.517 427 HZ2 LYS 52 HZ2 LYS 52 -6.059 19.022 39.466 428 HZ3 LYS 52 HZ3 LYS 52 -4.576 18.246 39.758 429 H VAL 53 HN VAL 53 0.067 15.310 36.207 430 HA VAL 53 HA VAL 53 0.913 16.464 33.621 431 HB VAL 53 HB VAL 53 3.279 16.072 34.121 432 HG11 VAL 53 HG21 VAL 53 2.289 18.226 34.899 433 HG12 VAL 53 HG22 VAL 53 3.676 17.723 35.846 434 HG13 VAL 53 HG23 VAL 53 2.053 17.493 36.477 435 HG21 VAL 53 HG11 VAL 53 2.141 14.816 36.583 436 HG22 VAL 53 HG12 VAL 53 3.772 15.462 36.616 437 HG23 VAL 53 HG13 VAL 53 3.356 14.176 35.489 438 H ASN 54 HN ASN 54 2.099 14.874 32.305 439 HA ASN 54 HA ASN 54 0.990 12.170 32.824 440 HB2 ASN 54 HB2 ASN 54 1.515 13.798 30.431 441 HB3 ASN 54 HB1 ASN 54 2.209 12.187 30.287 442 HD21 ASN 54 HD21 ASN 54 -0.862 13.806 31.229 443 HD22 ASN 54 HD22 ASN 54 -1.867 12.562 30.659 444 H VAL 55 HN VAL 55 2.312 10.643 33.549 445 HA VAL 55 HA VAL 55 5.219 11.229 33.525 446 HB VAL 55 HB VAL 55 3.516 9.292 35.146 447 HG11 VAL 55 HG11 VAL 55 6.499 9.845 35.182 448 HG12 VAL 55 HG12 VAL 55 5.710 8.301 34.876 449 HG13 VAL 55 HG13 VAL 55 5.652 9.016 36.485 450 HG21 VAL 55 HG21 VAL 55 5.088 11.712 36.065 451 HG22 VAL 55 HG22 VAL 55 3.880 10.808 36.972 452 HG23 VAL 55 HG23 VAL 55 3.391 11.802 35.604 453 H GLU 56 HN GLU 56 6.555 10.145 32.335 454 HA GLU 56 HA GLU 56 5.590 7.722 30.912 455 HB2 GLU 56 HB2 GLU 56 6.848 9.935 29.924 456 HB3 GLU 56 HB1 GLU 56 8.264 8.984 30.342 457 HG2 GLU 56 HG2 GLU 56 7.692 7.241 28.857 458 HG3 GLU 56 HG1 GLU 56 6.007 7.748 28.766 459 H LEU 57 HN LEU 57 6.038 5.914 32.007 460 HA LEU 57 HA LEU 57 8.453 5.793 33.710 461 HB2 LEU 57 HB2 LEU 57 6.297 3.691 33.152 462 HB3 LEU 57 HB1 LEU 57 7.506 3.603 34.426 463 HG LEU 57 HG LEU 57 5.654 5.983 34.245 464 HD11 LEU 57 HD11 LEU 57 4.023 4.867 35.603 465 HD12 LEU 57 HD12 LEU 57 5.074 3.476 35.846 466 HD13 LEU 57 HD13 LEU 57 4.358 3.774 34.265 467 HD21 LEU 57 HD21 LEU 57 6.146 6.110 36.641 468 HD22 LEU 57 HD22 LEU 57 7.659 6.006 35.748 469 HD23 LEU 57 HD23 LEU 57 7.021 4.584 36.571 470 H SER 58 HN SER 58 10.127 4.283 33.442 471 HA SER 58 HA SER 58 10.445 3.410 30.616 472 HB2 SER 58 HB2 SER 58 12.872 3.197 31.231 473 HB3 SER 58 HB1 SER 58 12.255 4.798 31.683 474 HG SER 58 HG SER 58 11.784 3.913 33.757 475 HA PRO 59 HA PRO 59 9.797 -0.849 31.601 476 HB2 PRO 59 HB2 PRO 59 11.571 -1.822 29.551 477 HB3 PRO 59 HB1 PRO 59 9.819 -1.646 29.435 478 HG2 PRO 59 HG2 PRO 59 11.899 0.012 28.204 479 HG3 PRO 59 HG1 PRO 59 10.157 0.052 27.924 480 HD2 PRO 59 HD1 PRO 59 11.696 1.974 29.371 481 HD3 PRO 59 HD2 PRO 59 9.929 1.889 29.248 482 H TYR 60 HN TYR 60 12.692 0.745 31.936 483 HA TYR 60 HA TYR 60 14.274 -1.573 32.614 484 HB2 TYR 60 HB2 TYR 60 14.771 1.416 32.502 485 HB3 TYR 60 HB1 TYR 60 15.920 0.359 33.317 486 HD1 TYR 60 HD1 TYR 60 14.673 1.500 30.111 487 HD2 TYR 60 HD2 TYR 60 17.002 -1.513 32.006 488 HE1 TYR 60 HE1 TYR 60 15.662 0.905 27.948 489 HE2 TYR 60 HE2 TYR 60 17.989 -2.110 29.843 490 HH TYR 60 HH TYR 60 17.927 -1.804 27.643 491 H ASP 61 HN ASP 61 12.292 0.796 34.005 492 HA ASP 61 HA ASP 61 12.326 -0.541 36.536 493 HB2 ASP 61 HB2 ASP 61 14.128 1.738 36.069 494 HB3 ASP 61 HB1 ASP 61 13.017 2.048 37.400 495 H LEU 62 HN LEU 62 10.116 -0.585 36.379 496 HA LEU 62 HA LEU 62 8.550 1.709 35.665 497 HB2 LEU 62 HB2 LEU 62 7.793 -0.800 37.228 498 HB3 LEU 62 HB1 LEU 62 6.638 0.342 36.545 499 HG LEU 62 HG LEU 62 8.732 -0.800 34.729 500 HD11 LEU 62 HD21 LEU 62 6.242 -2.262 35.666 501 HD12 LEU 62 HD22 LEU 62 7.906 -2.780 35.908 502 HD13 LEU 62 HD23 LEU 62 7.224 -2.743 34.286 503 HD21 LEU 62 HD11 LEU 62 7.035 0.959 34.061 504 HD22 LEU 62 HD12 LEU 62 5.774 -0.236 34.340 505 HD23 LEU 62 HD13 LEU 62 6.977 -0.504 33.082 506 H THR 63 HN THR 63 10.527 1.780 37.935 507 HA THR 63 HA THR 63 8.721 2.740 40.099 508 HB THR 63 HB THR 63 11.201 2.846 41.233 509 HG1 THR 63 HG1 THR 63 12.523 2.132 39.753 510 HG21 THR 63 HG21 THR 63 9.327 1.206 41.874 511 HG22 THR 63 HG22 THR 63 10.920 0.457 41.901 512 HG23 THR 63 HG23 THR 63 9.840 0.178 40.539 513 H ARG 64 HN ARG 64 10.593 3.821 37.527 514 HA ARG 64 HA ARG 64 10.511 6.599 38.622 515 HB2 ARG 64 HB2 ARG 64 12.851 5.349 37.085 516 HB3 ARG 64 HB1 ARG 64 12.772 7.010 37.659 517 HG2 ARG 64 HG2 ARG 64 12.875 6.343 39.939 518 HG3 ARG 64 HG1 ARG 64 12.485 4.672 39.552 519 HD2 ARG 64 HD2 ARG 64 14.879 4.835 40.001 520 HD3 ARG 64 HD1 ARG 64 14.647 4.514 38.285 521 HE ARG 64 HE ARG 64 14.970 7.024 37.962 522 HH11 ARG 64 HH11 ARG 64 15.677 8.794 39.459 523 HH12 ARG 64 HH12 ARG 64 17.104 8.441 40.375 524 HH21 ARG 64 HH21 ARG 64 16.962 5.014 39.661 525 HH22 ARG 64 HH22 ARG 64 17.850 6.246 40.492 526 H GLY 65 HN GLY 65 10.107 8.180 37.133 527 HA2 GLY 65 HA2 GLY 65 9.877 7.403 34.267 528 HA3 GLY 65 HA1 GLY 65 8.450 8.046 35.071 529 H ARG 66 HN ARG 66 8.432 9.853 33.643 530 HA ARG 66 HA ARG 66 10.061 12.075 34.649 531 HB2 ARG 66 HB2 ARG 66 10.716 12.480 32.045 532 HB3 ARG 66 HB1 ARG 66 11.747 11.544 33.122 533 HG2 ARG 66 HG2 ARG 66 10.596 9.464 32.380 534 HG3 ARG 66 HG1 ARG 66 9.624 10.420 31.269 535 HD2 ARG 66 HD2 ARG 66 11.732 11.212 30.169 536 HD3 ARG 66 HD1 ARG 66 12.648 10.139 31.226 537 HE ARG 66 HE ARG 66 11.200 8.271 30.161 538 HH11 ARG 66 HH11 ARG 66 9.642 8.741 28.184 539 HH12 ARG 66 HH12 ARG 66 10.534 9.220 26.779 540 HH21 ARG 66 HH21 ARG 66 13.419 9.970 28.621 541 HH22 ARG 66 HH22 ARG 66 12.728 9.933 27.033 542 H ILE 67 HN ILE 67 9.346 14.125 33.937 543 HA ILE 67 HA ILE 67 6.538 14.067 32.944 544 HB ILE 67 HB ILE 67 8.216 16.454 33.848 545 HG12 ILE 67 HG12 ILE 67 8.180 14.805 35.644 546 HG13 ILE 67 HG11 ILE 67 7.091 16.130 36.053 547 HG21 ILE 67 HG21 ILE 67 6.292 17.486 33.088 548 HG22 ILE 67 HG22 ILE 67 5.534 16.834 34.537 549 HG23 ILE 67 HG23 ILE 67 5.407 15.966 33.010 550 HD11 ILE 67 HD11 ILE 67 5.667 14.405 36.476 551 HD12 ILE 67 HD12 ILE 67 6.482 13.316 35.365 552 HD13 ILE 67 HD13 ILE 67 5.375 14.532 34.747 553 H THR 68 HN THR 68 6.129 14.395 30.902 554 HA THR 68 HA THR 68 7.963 16.138 29.302 555 HB THR 68 HB THR 68 7.965 14.537 27.528 556 HG1 THR 68 HG1 THR 68 5.863 14.286 27.152 557 HG21 THR 68 HG21 THR 68 8.860 13.341 29.626 558 HG22 THR 68 HG22 THR 68 8.092 12.239 28.488 559 HG23 THR 68 HG23 THR 68 7.225 12.761 29.929 560 H TRP 69 HN TRP 69 5.076 16.018 30.683 561 HA TRP 69 HA TRP 69 3.950 17.973 28.848 562 HB2 TRP 69 HB2 TRP 69 1.830 16.172 28.857 563 HB3 TRP 69 HB1 TRP 69 2.973 16.337 27.526 564 HD1 TRP 69 HD1 TRP 69 3.906 14.758 30.930 565 HE1 TRP 69 HE1 TRP 69 4.611 12.374 30.421 566 HE3 TRP 69 HE3 TRP 69 2.604 14.655 26.184 567 HZ2 TRP 69 HZ2 TRP 69 4.531 10.529 28.050 568 HZ3 TRP 69 HZ3 TRP 69 2.860 12.664 24.768 569 HH2 TRP 69 HH2 TRP 69 3.824 10.603 25.697 570 H ARG 70 HN ARG 70 3.274 19.373 30.383 571 HA ARG 70 HA ARG 70 1.939 18.352 32.752 572 HB2 ARG 70 HB2 ARG 70 3.111 19.969 33.852 573 HB3 ARG 70 HB1 ARG 70 3.875 20.385 32.328 574 HG2 ARG 70 HG2 ARG 70 1.212 21.507 33.269 575 HG3 ARG 70 HG1 ARG 70 2.752 22.334 33.422 576 HD2 ARG 70 HD2 ARG 70 2.461 21.396 30.711 577 HD3 ARG 70 HD1 ARG 70 1.038 22.331 31.164 578 HE ARG 70 HE ARG 70 3.776 23.368 30.915 579 HH11 ARG 70 HH11 ARG 70 3.049 24.437 33.473 580 HH12 ARG 70 HH12 ARG 70 2.095 25.837 33.110 581 HH21 ARG 70 HH21 ARG 70 1.501 24.825 29.807 582 HH22 ARG 70 HH22 ARG 70 1.196 26.063 30.980 583 H LYS 71 HN LYS 71 0.032 19.478 33.568 584 HA LYS 71 HA LYS 71 -1.521 20.860 31.454 585 HB2 LYS 71 HB2 LYS 71 -2.247 18.486 31.472 586 HB3 LYS 71 HB1 LYS 71 -2.459 18.540 33.216 587 HG2 LYS 71 HG2 LYS 71 -4.654 18.814 32.306 588 HG3 LYS 71 HG1 LYS 71 -4.161 20.426 32.803 589 HD2 LYS 71 HD2 LYS 71 -3.185 20.230 30.201 590 HD3 LYS 71 HD1 LYS 71 -4.734 19.402 30.117 591 HE2 LYS 71 HE2 LYS 71 -5.588 21.479 31.507 592 HE3 LYS 71 HE1 LYS 71 -4.154 22.260 30.853 593 HZ1 LYS 71 HZ1 LYS 71 -4.975 21.415 28.621 594 HZ2 LYS 71 HZ2 LYS 71 -5.819 22.709 29.324 595 HZ3 LYS 71 HZ3 LYS 71 -6.461 21.139 29.395 596 H LYS 72 HN LYS 72 -2.885 22.450 32.173 597 HA LYS 72 HA LYS 72 -2.323 23.887 34.466 598 HB2 LYS 72 HB2 LYS 72 -4.265 24.010 32.448 599 HB3 LYS 72 HB1 LYS 72 -5.229 23.832 33.912 600 HG2 LYS 72 HG2 LYS 72 -3.624 25.675 34.875 601 HG3 LYS 72 HG1 LYS 72 -3.289 26.018 33.182 602 HD2 LYS 72 HD2 LYS 72 -5.119 27.442 33.778 603 HD3 LYS 72 HD1 LYS 72 -5.826 26.128 32.844 604 HE2 LYS 72 HE2 LYS 72 -5.746 25.250 35.548 605 HE3 LYS 72 HE1 LYS 72 -6.376 26.894 35.571 606 HZ1 LYS 72 HZ1 LYS 72 -7.582 25.587 33.442 607 HZ2 LYS 72 HZ2 LYS 72 -8.300 26.096 34.894 608 HZ3 LYS 72 HZ3 LYS 72 -7.661 24.527 34.766 Start of MODEL 11 1 HA MET 1 HA MET 1 5.969 3.650 21.375 2 HB2 MET 1 HB2 MET 1 3.982 2.838 19.202 3 HB3 MET 1 HB1 MET 1 5.552 2.058 19.377 4 HG2 MET 1 HG2 MET 1 3.520 2.311 21.599 5 HG3 MET 1 HG1 MET 1 3.645 0.912 20.567 6 HE1 MET 1 HE1 MET 1 7.018 0.404 20.496 7 HE2 MET 1 HE2 MET 1 5.491 -0.440 20.233 8 HE3 MET 1 HE3 MET 1 6.597 -0.989 21.493 9 H ALA 2 HN ALA 2 5.630 6.357 20.154 10 HA ALA 2 HA ALA 2 7.013 6.072 17.568 11 HB1 ALA 2 HB1 ALA 2 6.078 8.460 19.227 12 HB2 ALA 2 HB2 ALA 2 5.390 7.876 17.715 13 HB3 ALA 2 HB3 ALA 2 6.972 8.649 17.722 14 H LYS 3 HN LYS 3 7.704 7.080 20.867 15 HA LYS 3 HA LYS 3 10.479 7.770 20.135 16 HB2 LYS 3 HB2 LYS 3 8.861 7.825 22.720 17 HB3 LYS 3 HB1 LYS 3 10.592 8.143 22.710 18 HG2 LYS 3 HG2 LYS 3 9.157 9.633 20.631 19 HG3 LYS 3 HG1 LYS 3 8.603 10.029 22.254 20 HD2 LYS 3 HD2 LYS 3 10.995 10.366 22.932 21 HD3 LYS 3 HD1 LYS 3 11.469 10.103 21.258 22 HE2 LYS 3 HE2 LYS 3 11.291 12.482 21.527 23 HE3 LYS 3 HE1 LYS 3 9.859 11.985 20.634 24 HZ1 LYS 3 HZ1 LYS 3 8.637 12.894 22.209 25 HZ2 LYS 3 HZ2 LYS 3 10.016 13.284 23.119 26 HZ3 LYS 3 HZ3 LYS 3 9.251 11.783 23.336 27 H LYS 4 HN LYS 4 9.370 5.937 22.950 28 HA LYS 4 HA LYS 4 10.944 3.597 22.050 29 HB2 LYS 4 HB2 LYS 4 12.035 5.532 23.798 30 HB3 LYS 4 HB1 LYS 4 11.502 4.242 24.869 31 HG2 LYS 4 HG2 LYS 4 12.828 2.610 23.725 32 HG3 LYS 4 HG1 LYS 4 13.119 3.694 22.369 33 HD2 LYS 4 HD2 LYS 4 15.087 3.541 23.901 34 HD3 LYS 4 HD1 LYS 4 14.450 5.178 23.795 35 HE2 LYS 4 HE2 LYS 4 13.417 3.328 25.930 36 HE3 LYS 4 HE1 LYS 4 14.967 4.129 26.159 37 HZ1 LYS 4 HZ1 LYS 4 12.567 5.192 26.752 38 HZ2 LYS 4 HZ2 LYS 4 12.884 5.879 25.231 39 HZ3 LYS 4 HZ3 LYS 4 13.991 6.080 26.503 40 H ASP 5 HN ASP 5 10.880 1.982 24.118 41 HA ASP 5 HA ASP 5 8.003 1.509 24.476 42 HB2 ASP 5 HB2 ASP 5 9.058 -0.535 25.821 43 HB3 ASP 5 HB1 ASP 5 9.195 -0.509 24.065 44 H VAL 6 HN VAL 6 7.017 2.615 26.031 45 HA VAL 6 HA VAL 6 8.094 2.420 28.776 46 HB VAL 6 HB VAL 6 7.491 5.010 28.939 47 HG11 VAL 6 HG11 VAL 6 9.781 3.859 29.116 48 HG12 VAL 6 HG12 VAL 6 9.799 5.544 28.608 49 HG13 VAL 6 HG13 VAL 6 10.001 4.262 27.418 50 HG21 VAL 6 HG21 VAL 6 8.225 4.753 26.004 51 HG22 VAL 6 HG22 VAL 6 7.844 6.238 26.870 52 HG23 VAL 6 HG23 VAL 6 6.586 5.037 26.584 53 H ILE 7 HN ILE 7 6.519 3.191 30.392 54 HA ILE 7 HA ILE 7 3.763 2.547 29.453 55 HB ILE 7 HB ILE 7 4.680 2.924 32.337 56 HG12 ILE 7 HG12 ILE 7 6.234 1.322 31.448 57 HG13 ILE 7 HG11 ILE 7 5.011 0.408 32.321 58 HG21 ILE 7 HG21 ILE 7 2.313 2.654 32.243 59 HG22 ILE 7 HG22 ILE 7 2.851 0.991 32.459 60 HG23 ILE 7 HG23 ILE 7 2.394 1.568 30.860 61 HD11 ILE 7 HD11 ILE 7 3.804 0.044 30.150 62 HD12 ILE 7 HD12 ILE 7 5.412 -0.671 30.169 63 HD13 ILE 7 HD13 ILE 7 5.135 0.843 29.319 64 H GLU 8 HN GLU 8 2.800 4.354 28.746 65 HA GLU 8 HA GLU 8 3.279 6.959 29.923 66 HB2 GLU 8 HB2 GLU 8 0.941 6.088 28.156 67 HB3 GLU 8 HB1 GLU 8 1.572 7.720 28.344 68 HG2 GLU 8 HG2 GLU 8 3.381 5.510 27.380 69 HG3 GLU 8 HG1 GLU 8 2.304 6.326 26.251 70 H LEU 9 HN LEU 9 2.580 7.464 31.873 71 HA LEU 9 HA LEU 9 -0.249 6.823 32.578 72 HB2 LEU 9 HB2 LEU 9 2.272 6.014 33.971 73 HB3 LEU 9 HB1 LEU 9 1.019 6.672 35.018 74 HG LEU 9 HG LEU 9 0.318 4.587 32.959 75 HD11 LEU 9 HD11 LEU 9 0.680 2.876 34.753 76 HD12 LEU 9 HD12 LEU 9 1.452 4.115 35.738 77 HD13 LEU 9 HD13 LEU 9 2.184 3.618 34.215 78 HD21 LEU 9 HD21 LEU 9 -1.360 4.068 34.820 79 HD22 LEU 9 HD22 LEU 9 -1.557 5.632 34.036 80 HD23 LEU 9 HD23 LEU 9 -0.790 5.530 35.618 81 H GLU 10 HN GLU 10 -1.303 8.478 33.536 82 HA GLU 10 HA GLU 10 0.192 10.976 33.843 83 HB2 GLU 10 HB2 GLU 10 -1.873 11.195 32.620 84 HB3 GLU 10 HB1 GLU 10 -2.754 10.234 33.805 85 HG2 GLU 10 HG2 GLU 10 -2.510 11.962 35.470 86 HG3 GLU 10 HG1 GLU 10 -1.443 12.886 34.420 87 H GLY 11 HN GLY 11 0.443 12.085 35.743 88 HA2 GLY 11 HA2 GLY 11 -0.797 10.895 38.183 89 HA3 GLY 11 HA1 GLY 11 0.958 11.050 38.131 90 H THR 12 HN THR 12 0.454 12.403 40.069 91 HA THR 12 HA THR 12 0.126 15.217 39.171 92 HB THR 12 HB THR 12 -1.171 14.039 41.702 93 HG1 THR 12 HG1 THR 12 -2.230 14.891 39.198 94 HG21 THR 12 HG21 THR 12 -0.556 16.635 41.420 95 HG22 THR 12 HG22 THR 12 -2.188 16.208 41.926 96 HG23 THR 12 HG23 THR 12 -1.867 16.626 40.246 97 H VAL 13 HN VAL 13 1.665 16.491 39.883 98 HA VAL 13 HA VAL 13 3.857 15.475 41.407 99 HB VAL 13 HB VAL 13 2.948 18.348 40.950 100 HG11 VAL 13 HG21 VAL 13 5.599 17.221 41.919 101 HG12 VAL 13 HG22 VAL 13 4.497 18.230 42.852 102 HG13 VAL 13 HG23 VAL 13 5.338 18.900 41.457 103 HG21 VAL 13 HG11 VAL 13 3.407 17.216 38.864 104 HG22 VAL 13 HG12 VAL 13 4.876 16.500 39.519 105 HG23 VAL 13 HG13 VAL 13 4.797 18.234 39.223 106 H SER 14 HN SER 14 4.241 15.245 43.474 107 HA SER 14 HA SER 14 2.345 16.545 45.400 108 HB2 SER 14 HB2 SER 14 2.012 14.086 45.309 109 HB3 SER 14 HB1 SER 14 3.745 13.826 45.588 110 HG SER 14 HG SER 14 2.539 13.791 47.548 111 H GLU 15 HN GLU 15 5.722 15.630 44.786 112 HA GLU 15 HA GLU 15 6.483 17.566 46.933 113 HB2 GLU 15 HB2 GLU 15 6.524 15.118 47.757 114 HB3 GLU 15 HB1 GLU 15 7.841 14.853 46.620 115 HG2 GLU 15 HG2 GLU 15 9.269 16.386 47.745 116 HG3 GLU 15 HG1 GLU 15 7.929 17.106 48.634 117 H ALA 16 HN ALA 16 8.615 18.401 46.753 118 HA ALA 16 HA ALA 16 9.545 18.437 43.946 119 HB1 ALA 16 HB1 ALA 16 9.305 20.638 44.879 120 HB2 ALA 16 HB2 ALA 16 11.038 20.334 44.933 121 HB3 ALA 16 HB3 ALA 16 10.070 20.163 46.394 122 H LEU 17 HN LEU 17 11.291 17.361 43.287 123 HA LEU 17 HA LEU 17 13.150 16.319 45.379 124 HB2 LEU 17 HB2 LEU 17 12.425 15.222 42.631 125 HB3 LEU 17 HB1 LEU 17 13.650 14.512 43.675 126 HG LEU 17 HG LEU 17 10.747 14.911 44.474 127 HD11 LEU 17 HD21 LEU 17 10.523 12.487 44.164 128 HD12 LEU 17 HD22 LEU 17 12.211 12.370 43.672 129 HD13 LEU 17 HD23 LEU 17 11.054 13.219 42.652 130 HD21 LEU 17 HD11 LEU 17 11.861 14.784 46.496 131 HD22 LEU 17 HD12 LEU 17 13.214 13.887 45.813 132 HD23 LEU 17 HD13 LEU 17 11.696 13.063 46.161 133 HA PRO 18 HA PRO 18 16.372 18.714 43.559 134 HB2 PRO 18 HB2 PRO 18 18.464 16.858 44.199 135 HB3 PRO 18 HB1 PRO 18 17.967 18.251 45.160 136 HG2 PRO 18 HG2 PRO 18 17.463 15.399 45.674 137 HG3 PRO 18 HG1 PRO 18 17.214 16.772 46.756 138 HD2 PRO 18 HD1 PRO 18 15.187 15.289 45.413 139 HD3 PRO 18 HD2 PRO 18 14.980 16.811 46.302 140 H ASN 19 HN ASN 19 18.095 18.555 41.948 141 HA ASN 19 HA ASN 19 19.074 17.739 39.993 142 HB2 ASN 19 HB2 ASN 19 18.641 15.441 41.456 143 HB3 ASN 19 HB1 ASN 19 17.680 15.119 40.019 144 HD21 ASN 19 HD21 ASN 19 20.838 16.777 40.553 145 HD22 ASN 19 HD22 ASN 19 21.679 15.869 39.392 146 H ALA 20 HN ALA 20 16.529 19.087 40.051 147 HA ALA 20 HA ALA 20 14.797 19.656 38.584 148 HB1 ALA 20 HB1 ALA 20 15.287 19.367 36.234 149 HB2 ALA 20 HB2 ALA 20 16.278 17.948 36.537 150 HB3 ALA 20 HB3 ALA 20 16.855 19.541 37.014 151 H MET 21 HN MET 21 13.781 17.861 40.108 152 HA MET 21 HA MET 21 12.016 16.353 38.391 153 HB2 MET 21 HB2 MET 21 12.600 14.182 39.801 154 HB3 MET 21 HB1 MET 21 13.604 14.578 38.416 155 HG2 MET 21 HG2 MET 21 15.068 15.879 40.063 156 HG3 MET 21 HG1 MET 21 14.189 15.069 41.330 157 HE1 MET 21 HE1 MET 21 15.054 11.320 40.520 158 HE2 MET 21 HE2 MET 21 13.672 12.349 40.169 159 HE3 MET 21 HE3 MET 21 14.380 12.348 41.783 160 H PHE 22 HN PHE 22 10.576 14.971 39.882 161 HA PHE 22 HA PHE 22 10.312 15.929 42.603 162 HB2 PHE 22 HB2 PHE 22 7.787 16.639 41.763 163 HB3 PHE 22 HB1 PHE 22 9.102 17.784 41.955 164 HD1 PHE 22 HD1 PHE 22 8.964 15.216 39.264 165 HD2 PHE 22 HD2 PHE 22 8.450 19.324 40.247 166 HE1 PHE 22 HE1 PHE 22 8.888 15.780 36.890 167 HE2 PHE 22 HE2 PHE 22 8.304 19.872 37.868 168 HZ PHE 22 HZ PHE 22 8.483 18.098 36.193 169 H LYS 23 HN LYS 23 8.473 14.988 43.732 170 HA LYS 23 HA LYS 23 8.001 12.266 42.756 171 HB2 LYS 23 HB2 LYS 23 8.463 13.023 45.229 172 HB3 LYS 23 HB1 LYS 23 6.776 13.526 45.240 173 HG2 LYS 23 HG2 LYS 23 6.142 11.208 44.496 174 HG3 LYS 23 HG1 LYS 23 7.828 10.736 44.674 175 HD2 LYS 23 HD2 LYS 23 6.208 11.973 46.919 176 HD3 LYS 23 HD1 LYS 23 6.361 10.236 46.690 177 HE2 LYS 23 HE2 LYS 23 8.213 10.443 48.000 178 HE3 LYS 23 HE1 LYS 23 8.983 11.039 46.534 179 HZ1 LYS 23 HZ1 LYS 23 8.283 13.295 47.198 180 HZ2 LYS 23 HZ2 LYS 23 9.372 12.578 48.286 181 HZ3 LYS 23 HZ3 LYS 23 7.720 12.661 48.669 182 H VAL 24 HN VAL 24 6.100 11.484 42.025 183 HA VAL 24 HA VAL 24 3.795 13.378 41.921 184 HB VAL 24 HB VAL 24 5.179 11.835 39.759 185 HG11 VAL 24 HG11 VAL 24 2.177 12.065 40.018 186 HG12 VAL 24 HG12 VAL 24 3.129 10.652 39.570 187 HG13 VAL 24 HG13 VAL 24 2.940 11.982 38.432 188 HG21 VAL 24 HG21 VAL 24 3.461 14.319 39.609 189 HG22 VAL 24 HG22 VAL 24 4.669 13.782 38.454 190 HG23 VAL 24 HG23 VAL 24 5.170 14.365 40.036 191 H LYS 25 HN LYS 25 1.919 12.614 42.581 192 HA LYS 25 HA LYS 25 1.808 9.721 43.294 193 HB2 LYS 25 HB2 LYS 25 0.194 12.173 44.087 194 HB3 LYS 25 HB1 LYS 25 -0.417 10.556 44.404 195 HG2 LYS 25 HG2 LYS 25 1.935 10.142 45.463 196 HG3 LYS 25 HG1 LYS 25 2.038 11.897 45.522 197 HD2 LYS 25 HD2 LYS 25 0.131 12.070 46.932 198 HD3 LYS 25 HD1 LYS 25 -0.380 10.423 46.583 199 HE2 LYS 25 HE2 LYS 25 1.397 9.488 47.866 200 HE3 LYS 25 HE1 LYS 25 2.256 11.021 47.936 201 HZ1 LYS 25 HZ1 LYS 25 0.171 10.028 49.614 202 HZ2 LYS 25 HZ2 LYS 25 -0.174 11.580 49.020 203 HZ3 LYS 25 HZ3 LYS 25 1.264 11.300 49.880 204 H LEU 26 HN LEU 26 0.750 8.374 42.031 205 HA LEU 26 HA LEU 26 -0.708 9.313 39.739 206 HB2 LEU 26 HB2 LEU 26 -0.132 6.604 40.971 207 HB3 LEU 26 HB1 LEU 26 -1.208 6.750 39.587 208 HG LEU 26 HG LEU 26 1.566 7.970 39.629 209 HD11 LEU 26 HD21 LEU 26 0.657 5.237 38.699 210 HD12 LEU 26 HD22 LEU 26 1.912 5.606 39.870 211 HD13 LEU 26 HD23 LEU 26 2.164 5.982 38.173 212 HD21 LEU 26 HD11 LEU 26 -0.629 7.560 37.640 213 HD22 LEU 26 HD12 LEU 26 1.034 7.524 37.069 214 HD23 LEU 26 HD13 LEU 26 0.414 8.953 37.882 215 H GLU 27 HN GLU 27 -2.885 8.818 39.246 216 HA GLU 27 HA GLU 27 -4.781 9.668 41.087 217 HB2 GLU 27 HB2 GLU 27 -6.461 8.538 39.607 218 HB3 GLU 27 HB1 GLU 27 -5.238 9.371 38.653 219 HG2 GLU 27 HG2 GLU 27 -3.982 7.183 38.489 220 HG3 GLU 27 HG1 GLU 27 -5.352 6.399 39.272 221 H ASN 28 HN ASN 28 -3.683 6.371 40.490 222 HA ASN 28 HA ASN 28 -5.591 5.159 42.274 223 HB2 ASN 28 HB2 ASN 28 -3.926 4.136 40.442 224 HB3 ASN 28 HB1 ASN 28 -2.851 3.985 41.821 225 HD21 ASN 28 HD21 ASN 28 -5.074 3.571 43.756 226 HD22 ASN 28 HD22 ASN 28 -5.657 2.001 43.472 227 H GLY 29 HN GLY 29 -2.768 7.008 42.784 228 HA2 GLY 29 HA2 GLY 29 -2.377 7.870 45.063 229 HA3 GLY 29 HA1 GLY 29 -2.844 6.295 45.688 230 H HIS 30 HN HIS 30 -1.016 5.614 43.028 231 HA HIS 30 HA HIS 30 1.247 4.867 44.705 232 HB2 HIS 30 HB2 HIS 30 0.955 4.830 41.666 233 HB3 HIS 30 HB1 HIS 30 2.189 3.969 42.585 234 HD1 HIS 30 HD1 HIS 30 -1.201 3.692 41.540 235 HD2 HIS 30 HD2 HIS 30 1.110 1.909 44.345 236 HE1 HIS 30 HE1 HIS 30 -2.468 1.777 42.255 237 H GLU 31 HN GLU 31 3.195 5.752 44.888 238 HA GLU 31 HA GLU 31 3.541 8.442 43.723 239 HB2 GLU 31 HB2 GLU 31 5.088 7.040 45.949 240 HB3 GLU 31 HB1 GLU 31 5.216 8.743 45.515 241 HG2 GLU 31 HG2 GLU 31 3.428 9.248 46.796 242 HG3 GLU 31 HG1 GLU 31 2.439 8.058 45.953 243 H ILE 32 HN ILE 32 5.186 8.949 42.400 244 HA ILE 32 HA ILE 32 7.376 7.011 42.012 245 HB ILE 32 HB ILE 32 5.737 8.043 39.728 246 HG12 ILE 32 HG12 ILE 32 5.723 5.344 41.079 247 HG13 ILE 32 HG11 ILE 32 4.385 6.484 41.004 248 HG21 ILE 32 HG21 ILE 32 8.144 7.495 39.261 249 HG22 ILE 32 HG22 ILE 32 7.063 6.386 38.433 250 HG23 ILE 32 HG23 ILE 32 7.875 5.879 39.908 251 HD11 ILE 32 HD11 ILE 32 4.674 6.301 38.413 252 HD12 ILE 32 HD12 ILE 32 3.896 4.970 39.257 253 HD13 ILE 32 HD13 ILE 32 5.576 4.833 38.775 254 H LEU 33 HN LEU 33 9.202 7.857 40.933 255 HA LEU 33 HA LEU 33 9.400 10.764 41.283 256 HB2 LEU 33 HB2 LEU 33 11.397 8.527 40.768 257 HB3 LEU 33 HB1 LEU 33 11.880 10.219 40.741 258 HG LEU 33 HG LEU 33 11.090 10.511 43.048 259 HD11 LEU 33 HD21 LEU 33 10.067 7.718 42.581 260 HD12 LEU 33 HD22 LEU 33 9.243 9.090 43.314 261 HD13 LEU 33 HD23 LEU 33 10.483 8.224 44.214 262 HD21 LEU 33 HD11 LEU 33 13.386 9.401 42.425 263 HD22 LEU 33 HD12 LEU 33 12.659 7.935 43.079 264 HD23 LEU 33 HD13 LEU 33 12.851 9.356 44.102 265 H CYS 34 HN CYS 34 9.539 12.178 39.658 266 HA CYS 34 HA CYS 34 9.933 11.119 36.892 267 HB2 CYS 34 HB2 CYS 34 8.227 13.022 36.317 268 HB3 CYS 34 HB1 CYS 34 7.630 11.477 36.855 269 HG CYS 34 HG1 CYS 34 6.916 12.521 39.078 270 H HIS 35 HN HIS 35 11.025 12.448 35.499 271 HA HIS 35 HA HIS 35 12.220 14.891 36.761 272 HB2 HIS 35 HB2 HIS 35 13.197 13.157 34.433 273 HB3 HIS 35 HB1 HIS 35 14.054 14.553 35.081 274 HD1 HIS 35 HD1 HIS 35 15.803 13.685 36.531 275 HD2 HIS 35 HD2 HIS 35 12.503 11.359 36.926 276 HE1 HIS 35 HE1 HIS 35 16.405 12.046 38.206 277 H ILE 36 HN ILE 36 13.022 16.447 34.924 278 HA ILE 36 HA ILE 36 10.659 16.989 33.205 279 HB ILE 36 HB ILE 36 12.693 18.767 34.585 280 HG12 ILE 36 HG12 ILE 36 9.679 18.932 34.553 281 HG13 ILE 36 HG11 ILE 36 10.551 17.880 35.668 282 HG21 ILE 36 HG21 ILE 36 12.508 19.952 32.554 283 HG22 ILE 36 HG22 ILE 36 11.088 20.574 33.389 284 HG23 ILE 36 HG23 ILE 36 10.918 19.294 32.201 285 HD11 ILE 36 HD11 ILE 36 11.297 19.629 36.930 286 HD12 ILE 36 HD12 ILE 36 9.999 20.534 36.159 287 HD13 ILE 36 HD13 ILE 36 11.637 20.622 35.517 288 H SER 37 HN SER 37 10.997 17.941 31.144 289 HA SER 37 HA SER 37 13.576 17.100 29.933 290 HB2 SER 37 HB2 SER 37 10.730 17.323 28.896 291 HB3 SER 37 HB1 SER 37 12.090 17.341 27.758 292 HG SER 37 HG SER 37 11.395 15.375 29.672 293 H GLY 38 HN GLY 38 14.518 18.463 28.329 294 HA2 GLY 38 HA2 GLY 38 14.350 21.285 29.047 295 HA3 GLY 38 HA1 GLY 38 15.425 20.590 27.837 296 H LYS 39 HN LYS 39 12.577 19.348 26.971 297 HA LYS 39 HA LYS 39 12.263 21.229 24.807 298 HB2 LYS 39 HB2 LYS 39 10.773 18.743 25.704 299 HB3 LYS 39 HB1 LYS 39 10.164 19.721 24.373 300 HG2 LYS 39 HG2 LYS 39 12.667 19.518 23.508 301 HG3 LYS 39 HG1 LYS 39 12.676 18.086 24.529 302 HD2 LYS 39 HD2 LYS 39 10.711 18.689 22.295 303 HD3 LYS 39 HD1 LYS 39 11.972 17.461 22.271 304 HE2 LYS 39 HE2 LYS 39 10.300 16.091 23.018 305 HE3 LYS 39 HE1 LYS 39 10.682 16.801 24.580 306 HZ1 LYS 39 HZ1 LYS 39 8.784 18.190 22.838 307 HZ2 LYS 39 HZ2 LYS 39 8.861 18.137 24.533 308 HZ3 LYS 39 HZ3 LYS 39 8.260 16.804 23.668 309 H LEU 40 HN LEU 40 9.994 20.179 27.335 310 HA LEU 40 HA LEU 40 8.076 22.162 26.776 311 HB2 LEU 40 HB2 LEU 40 7.158 21.629 28.946 312 HB3 LEU 40 HB1 LEU 40 7.964 20.148 28.449 313 HG LEU 40 HG LEU 40 10.025 21.387 29.671 314 HD11 LEU 40 HD11 LEU 40 9.016 22.326 31.827 315 HD12 LEU 40 HD12 LEU 40 7.473 22.374 30.984 316 HD13 LEU 40 HD13 LEU 40 8.820 23.346 30.410 317 HD21 LEU 40 HD21 LEU 40 8.943 20.128 31.801 318 HD22 LEU 40 HD22 LEU 40 9.627 19.244 30.440 319 HD23 LEU 40 HD23 LEU 40 7.887 19.496 30.544 320 H ARG 41 HN ARG 41 11.190 22.419 28.142 321 HA ARG 41 HA ARG 41 10.739 24.879 29.584 322 HB2 ARG 41 HB2 ARG 41 12.760 23.994 30.314 323 HB3 ARG 41 HB1 ARG 41 13.036 23.147 28.801 324 HG2 ARG 41 HG2 ARG 41 14.757 24.829 29.051 325 HG3 ARG 41 HG1 ARG 41 13.699 25.350 27.760 326 HD2 ARG 41 HD2 ARG 41 12.872 27.125 28.994 327 HD3 ARG 41 HD1 ARG 41 12.979 26.249 30.516 328 HE ARG 41 HE ARG 41 15.025 27.977 29.406 329 HH11 ARG 41 HH11 ARG 41 17.178 26.742 29.554 330 HH12 ARG 41 HH12 ARG 41 17.484 26.102 31.135 331 HH21 ARG 41 HH21 ARG 41 14.154 26.491 32.160 332 HH22 ARG 41 HH22 ARG 41 15.729 25.958 32.648 333 H MET 42 HN MET 42 12.106 24.044 26.440 334 HA MET 42 HA MET 42 12.610 26.654 25.529 335 HB2 MET 42 HB2 MET 42 13.276 24.514 24.361 336 HB3 MET 42 HB1 MET 42 11.595 24.273 23.899 337 HG2 MET 42 HG2 MET 42 11.763 26.652 22.893 338 HG3 MET 42 HG1 MET 42 13.486 26.450 23.038 339 HE1 MET 42 HE1 MET 42 14.326 23.842 22.328 340 HE2 MET 42 HE2 MET 42 13.638 23.000 20.939 341 HE3 MET 42 HE3 MET 42 12.756 23.051 22.465 342 H ASN 43 HN ASN 43 9.583 24.808 25.609 343 HA ASN 43 HA ASN 43 8.152 26.746 23.984 344 HB2 ASN 43 HB2 ASN 43 7.407 24.428 25.780 345 HB3 ASN 43 HB1 ASN 43 6.141 25.539 25.263 346 HD21 ASN 43 HD21 ASN 43 6.738 26.146 22.671 347 HD22 ASN 43 HD22 ASN 43 6.821 24.748 21.712 348 H PHE 44 HN PHE 44 9.649 27.417 26.656 349 HA PHE 44 HA PHE 44 9.383 28.990 28.364 350 HB2 PHE 44 HB2 PHE 44 8.222 30.011 26.018 351 HB3 PHE 44 HB1 PHE 44 6.958 30.250 27.217 352 HD1 PHE 44 HD1 PHE 44 8.500 30.737 29.679 353 HD2 PHE 44 HD2 PHE 44 9.227 32.125 25.715 354 HE1 PHE 44 HE1 PHE 44 9.724 32.670 30.572 355 HE2 PHE 44 HE2 PHE 44 10.443 34.056 26.619 356 HZ PHE 44 HZ PHE 44 10.696 34.327 29.045 357 H ILE 45 HN ILE 45 8.004 26.485 28.645 358 HA ILE 45 HA ILE 45 5.488 27.242 29.991 359 HB ILE 45 HB ILE 45 6.671 24.464 29.612 360 HG12 ILE 45 HG12 ILE 45 6.432 25.501 27.424 361 HG13 ILE 45 HG11 ILE 45 5.146 24.321 27.639 362 HG21 ILE 45 HG21 ILE 45 4.862 24.091 31.022 363 HG22 ILE 45 HG22 ILE 45 3.909 24.287 29.553 364 HG23 ILE 45 HG23 ILE 45 4.128 25.647 30.649 365 HD11 ILE 45 HD11 ILE 45 4.018 26.223 26.797 366 HD12 ILE 45 HD12 ILE 45 4.975 27.332 27.773 367 HD13 ILE 45 HD13 ILE 45 3.749 26.325 28.533 368 H ARG 46 HN ARG 46 5.058 26.018 32.070 369 HA ARG 46 HA ARG 46 7.459 25.553 33.685 370 HB2 ARG 46 HB2 ARG 46 6.424 27.133 35.467 371 HB3 ARG 46 HB1 ARG 46 7.172 27.910 34.077 372 HG2 ARG 46 HG2 ARG 46 5.104 28.443 33.099 373 HG3 ARG 46 HG1 ARG 46 4.249 27.196 34.000 374 HD2 ARG 46 HD2 ARG 46 4.178 29.815 34.702 375 HD3 ARG 46 HD1 ARG 46 4.042 28.511 35.883 376 HE ARG 46 HE ARG 46 6.730 28.836 35.808 377 HH11 ARG 46 HH11 ARG 46 4.597 30.164 37.694 378 HH12 ARG 46 HH12 ARG 46 5.241 31.768 37.777 379 HH21 ARG 46 HH21 ARG 46 7.403 31.255 35.065 380 HH22 ARG 46 HH22 ARG 46 6.873 32.403 36.249 381 H ILE 47 HN ILE 47 7.027 24.473 35.661 382 HA ILE 47 HA ILE 47 4.254 23.387 35.919 383 HB ILE 47 HB ILE 47 6.848 21.803 36.228 384 HG12 ILE 47 HG12 ILE 47 4.847 21.880 33.942 385 HG13 ILE 47 HG11 ILE 47 6.524 22.409 33.880 386 HG21 ILE 47 HG21 ILE 47 4.534 21.214 37.423 387 HG22 ILE 47 HG22 ILE 47 5.434 19.932 36.619 388 HG23 ILE 47 HG23 ILE 47 4.058 20.681 35.815 389 HD11 ILE 47 HD11 ILE 47 6.491 20.191 32.958 390 HD12 ILE 47 HD12 ILE 47 5.491 19.587 34.276 391 HD13 ILE 47 HD13 ILE 47 7.166 20.034 34.577 392 H LEU 48 HN LEU 48 3.560 22.989 37.976 393 HA LEU 48 HA LEU 48 5.461 23.611 40.202 394 HB2 LEU 48 HB2 LEU 48 2.582 24.604 39.890 395 HB3 LEU 48 HB1 LEU 48 3.599 24.892 41.295 396 HG LEU 48 HG LEU 48 4.624 25.671 38.577 397 HD11 LEU 48 HD11 LEU 48 3.586 27.978 39.119 398 HD12 LEU 48 HD12 LEU 48 2.518 27.103 40.211 399 HD13 LEU 48 HD13 LEU 48 2.501 26.745 38.487 400 HD21 LEU 48 HD21 LEU 48 4.915 26.775 41.393 401 HD22 LEU 48 HD22 LEU 48 5.700 27.451 39.970 402 HD23 LEU 48 HD23 LEU 48 6.117 25.831 40.520 403 H GLU 49 HN GLU 49 4.422 22.975 42.352 404 HA GLU 49 HA GLU 49 3.786 20.228 42.248 405 HB2 GLU 49 HB2 GLU 49 3.232 20.625 44.745 406 HB3 GLU 49 HB1 GLU 49 4.861 21.060 44.239 407 HG2 GLU 49 HG2 GLU 49 4.507 23.246 44.724 408 HG3 GLU 49 HG1 GLU 49 3.001 23.263 43.811 409 H GLY 50 HN GLY 50 1.871 19.140 42.846 410 HA2 GLY 50 HA2 GLY 50 -0.477 18.917 43.116 411 HA3 GLY 50 HA1 GLY 50 -0.607 20.674 43.143 412 H ASP 51 HN ASP 51 1.167 20.441 40.579 413 HA ASP 51 HA ASP 51 -1.114 20.570 38.769 414 HB2 ASP 51 HB2 ASP 51 1.886 20.693 38.181 415 HB3 ASP 51 HB1 ASP 51 0.599 21.209 37.092 416 H LYS 52 HN LYS 52 -1.750 19.031 37.346 417 HA LYS 52 HA LYS 52 -0.701 16.397 37.650 418 HB2 LYS 52 HB2 LYS 52 -2.650 17.401 35.544 419 HB3 LYS 52 HB1 LYS 52 -2.469 15.738 36.085 420 HG2 LYS 52 HG2 LYS 52 -3.451 16.189 38.187 421 HG3 LYS 52 HG1 LYS 52 -3.173 17.921 38.047 422 HD2 LYS 52 HD2 LYS 52 -4.781 17.913 36.073 423 HD3 LYS 52 HD1 LYS 52 -5.177 16.251 36.496 424 HE2 LYS 52 HE2 LYS 52 -5.696 17.111 38.847 425 HE3 LYS 52 HE1 LYS 52 -5.591 18.735 38.179 426 HZ1 LYS 52 HZ1 LYS 52 -7.860 17.959 38.189 427 HZ2 LYS 52 HZ2 LYS 52 -7.435 16.595 37.270 428 HZ3 LYS 52 HZ3 LYS 52 -7.319 18.148 36.590 429 H VAL 53 HN VAL 53 0.255 15.092 36.161 430 HA VAL 53 HA VAL 53 1.237 16.397 33.684 431 HB VAL 53 HB VAL 53 3.575 15.740 34.374 432 HG11 VAL 53 HG21 VAL 53 2.531 18.047 34.702 433 HG12 VAL 53 HG22 VAL 53 3.893 17.688 35.749 434 HG13 VAL 53 HG23 VAL 53 2.256 17.578 36.376 435 HG21 VAL 53 HG11 VAL 53 2.042 14.544 36.535 436 HG22 VAL 53 HG12 VAL 53 3.251 15.651 37.178 437 HG23 VAL 53 HG13 VAL 53 3.741 14.315 36.139 438 H ASN 54 HN ASN 54 2.523 14.898 32.333 439 HA ASN 54 HA ASN 54 1.357 12.184 32.573 440 HB2 ASN 54 HB2 ASN 54 2.116 13.961 30.382 441 HB3 ASN 54 HB1 ASN 54 2.868 12.382 30.189 442 HD21 ASN 54 HD21 ASN 54 -0.352 13.655 31.206 443 HD22 ASN 54 HD22 ASN 54 -1.244 12.535 30.295 444 H VAL 55 HN VAL 55 2.563 10.617 33.424 445 HA VAL 55 HA VAL 55 5.492 11.059 33.542 446 HB VAL 55 HB VAL 55 3.662 9.192 35.103 447 HG11 VAL 55 HG11 VAL 55 6.635 9.732 35.325 448 HG12 VAL 55 HG12 VAL 55 5.878 8.209 34.874 449 HG13 VAL 55 HG13 VAL 55 5.698 8.831 36.511 450 HG21 VAL 55 HG21 VAL 55 4.167 10.712 36.989 451 HG22 VAL 55 HG22 VAL 55 3.419 11.602 35.666 452 HG23 VAL 55 HG23 VAL 55 5.157 11.708 35.925 453 H GLU 56 HN GLU 56 6.763 9.954 32.278 454 HA GLU 56 HA GLU 56 5.744 7.466 30.997 455 HB2 GLU 56 HB2 GLU 56 7.752 9.600 30.312 456 HB3 GLU 56 HB1 GLU 56 8.142 7.970 29.778 457 HG2 GLU 56 HG2 GLU 56 5.845 7.835 28.745 458 HG3 GLU 56 HG1 GLU 56 5.619 9.535 29.147 459 H LEU 57 HN LEU 57 6.194 5.775 32.287 460 HA LEU 57 HA LEU 57 8.602 5.727 33.949 461 HB2 LEU 57 HB2 LEU 57 6.628 3.471 33.361 462 HB3 LEU 57 HB1 LEU 57 7.700 3.599 34.752 463 HG LEU 57 HG LEU 57 5.601 5.708 34.141 464 HD11 LEU 57 HD11 LEU 57 4.582 3.408 34.471 465 HD12 LEU 57 HD12 LEU 57 4.110 4.586 35.690 466 HD13 LEU 57 HD13 LEU 57 5.330 3.371 36.063 467 HD21 LEU 57 HD21 LEU 57 7.385 6.382 35.664 468 HD22 LEU 57 HD22 LEU 57 7.176 4.916 36.613 469 HD23 LEU 57 HD23 LEU 57 5.908 6.136 36.588 470 H SER 58 HN SER 58 10.367 4.340 33.756 471 HA SER 58 HA SER 58 10.835 3.385 30.982 472 HB2 SER 58 HB2 SER 58 13.258 3.208 31.815 473 HB3 SER 58 HB1 SER 58 12.583 4.842 31.969 474 HG SER 58 HG SER 58 13.096 2.923 33.919 475 HA PRO 59 HA PRO 59 10.237 -0.858 32.159 476 HB2 PRO 59 HB2 PRO 59 11.973 -1.879 30.100 477 HB3 PRO 59 HB1 PRO 59 10.215 -1.735 30.027 478 HG2 PRO 59 HG2 PRO 59 12.231 -0.093 28.674 479 HG3 PRO 59 HG1 PRO 59 10.480 -0.087 28.445 480 HD2 PRO 59 HD1 PRO 59 12.037 1.905 29.779 481 HD3 PRO 59 HD2 PRO 59 10.268 1.801 29.699 482 H TYR 60 HN TYR 60 13.224 0.728 32.193 483 HA TYR 60 HA TYR 60 14.724 -1.576 33.093 484 HB2 TYR 60 HB2 TYR 60 15.534 1.353 32.836 485 HB3 TYR 60 HB1 TYR 60 16.639 0.016 33.152 486 HD1 TYR 60 HD1 TYR 60 17.174 -1.602 31.380 487 HD2 TYR 60 HD2 TYR 60 14.529 1.641 30.619 488 HE1 TYR 60 HE1 TYR 60 17.368 -2.008 28.968 489 HE2 TYR 60 HE2 TYR 60 14.723 1.235 28.211 490 HH TYR 60 HH TYR 60 16.677 -1.445 26.945 491 H ASP 61 HN ASP 61 12.981 1.089 34.251 492 HA ASP 61 HA ASP 61 13.404 0.163 36.973 493 HB2 ASP 61 HB2 ASP 61 14.220 2.934 36.005 494 HB3 ASP 61 HB1 ASP 61 13.957 2.569 37.708 495 H LEU 62 HN LEU 62 11.200 -0.304 36.915 496 HA LEU 62 HA LEU 62 9.233 1.653 36.170 497 HB2 LEU 62 HB2 LEU 62 8.965 -0.800 37.967 498 HB3 LEU 62 HB1 LEU 62 7.627 0.058 37.209 499 HG LEU 62 HG LEU 62 9.829 -0.851 35.414 500 HD11 LEU 62 HD21 LEU 62 7.820 -2.701 36.730 501 HD12 LEU 62 HD22 LEU 62 9.575 -2.830 36.791 502 HD13 LEU 62 HD23 LEU 62 8.723 -3.116 35.277 503 HD21 LEU 62 HD11 LEU 62 7.809 0.382 34.620 504 HD22 LEU 62 HD12 LEU 62 6.798 -0.927 35.224 505 HD23 LEU 62 HD13 LEU 62 7.927 -1.222 33.905 506 H THR 63 HN THR 63 11.309 2.245 38.239 507 HA THR 63 HA THR 63 9.508 3.079 40.467 508 HB THR 63 HB THR 63 12.566 2.796 40.344 509 HG1 THR 63 HG1 THR 63 10.365 1.345 41.373 510 HG21 THR 63 HG21 THR 63 12.187 4.397 42.107 511 HG22 THR 63 HG22 THR 63 12.029 2.867 42.966 512 HG23 THR 63 HG23 THR 63 10.591 3.748 42.462 513 H ARG 64 HN ARG 64 11.130 4.210 37.750 514 HA ARG 64 HA ARG 64 10.767 7.019 38.695 515 HB2 ARG 64 HB2 ARG 64 13.226 5.782 37.364 516 HB3 ARG 64 HB1 ARG 64 12.952 7.521 37.399 517 HG2 ARG 64 HG2 ARG 64 13.109 7.611 39.762 518 HG3 ARG 64 HG1 ARG 64 12.862 5.879 39.934 519 HD2 ARG 64 HD2 ARG 64 15.085 5.494 39.761 520 HD3 ARG 64 HD1 ARG 64 15.168 6.403 38.254 521 HE ARG 64 HE ARG 64 15.030 8.056 40.685 522 HH11 ARG 64 HH11 ARG 64 17.368 7.702 41.589 523 HH12 ARG 64 HH12 ARG 64 18.583 8.129 40.430 524 HH21 ARG 64 HH21 ARG 64 16.331 8.072 37.746 525 HH22 ARG 64 HH22 ARG 64 17.981 8.343 38.198 526 H GLY 65 HN GLY 65 10.254 8.493 37.100 527 HA2 GLY 65 HA2 GLY 65 9.888 7.460 34.330 528 HA3 GLY 65 HA1 GLY 65 8.514 8.182 35.159 529 H ARG 66 HN ARG 66 8.572 9.724 33.320 530 HA ARG 66 HA ARG 66 10.144 12.077 34.131 531 HB2 ARG 66 HB2 ARG 66 11.015 12.336 31.713 532 HB3 ARG 66 HB1 ARG 66 11.784 11.077 32.672 533 HG2 ARG 66 HG2 ARG 66 9.983 9.495 31.669 534 HG3 ARG 66 HG1 ARG 66 9.720 10.773 30.487 535 HD2 ARG 66 HD2 ARG 66 12.297 10.718 30.162 536 HD3 ARG 66 HD1 ARG 66 12.225 9.159 30.983 537 HE ARG 66 HE ARG 66 10.416 8.672 29.112 538 HH11 ARG 66 HH11 ARG 66 10.417 10.351 27.106 539 HH12 ARG 66 HH12 ARG 66 11.877 10.174 26.189 540 HH21 ARG 66 HH21 ARG 66 13.536 8.492 28.778 541 HH22 ARG 66 HH22 ARG 66 13.689 9.095 27.162 542 H ILE 67 HN ILE 67 9.071 13.882 33.783 543 HA ILE 67 HA ILE 67 6.528 13.758 32.241 544 HB ILE 67 HB ILE 67 7.755 15.745 34.175 545 HG12 ILE 67 HG12 ILE 67 5.150 14.223 34.332 546 HG13 ILE 67 HG11 ILE 67 6.660 13.558 34.929 547 HG21 ILE 67 HG21 ILE 67 5.434 16.865 33.914 548 HG22 ILE 67 HG22 ILE 67 5.207 15.871 32.480 549 HG23 ILE 67 HG23 ILE 67 6.508 17.057 32.536 550 HD11 ILE 67 HD11 ILE 67 5.811 14.637 36.811 551 HD12 ILE 67 HD12 ILE 67 5.161 15.961 35.875 552 HD13 ILE 67 HD13 ILE 67 6.878 15.850 36.145 553 H THR 68 HN THR 68 6.304 14.684 30.337 554 HA THR 68 HA THR 68 8.281 16.770 29.552 555 HB THR 68 HB THR 68 8.334 15.778 27.268 556 HG1 THR 68 HG1 THR 68 6.662 14.614 26.749 557 HG21 THR 68 HG21 THR 68 9.593 13.867 27.816 558 HG22 THR 68 HG22 THR 68 8.320 13.223 28.849 559 HG23 THR 68 HG23 THR 68 9.412 14.459 29.465 560 H TRP 69 HN TRP 69 5.199 16.347 30.355 561 HA TRP 69 HA TRP 69 4.368 18.700 28.871 562 HB2 TRP 69 HB2 TRP 69 2.353 17.189 27.904 563 HB3 TRP 69 HB1 TRP 69 3.860 17.364 27.010 564 HD1 TRP 69 HD1 TRP 69 4.029 15.190 30.140 565 HE1 TRP 69 HE1 TRP 69 4.384 12.816 29.340 566 HE3 TRP 69 HE3 TRP 69 2.980 15.942 25.415 567 HZ2 TRP 69 HZ2 TRP 69 3.991 11.311 26.746 568 HZ3 TRP 69 HZ3 TRP 69 2.858 14.130 23.757 569 HH2 TRP 69 HH2 TRP 69 3.370 11.817 24.420 570 H ARG 70 HN ARG 70 3.344 19.697 30.510 571 HA ARG 70 HA ARG 70 1.948 18.279 32.535 572 HB2 ARG 70 HB2 ARG 70 1.184 20.651 33.178 573 HB3 ARG 70 HB1 ARG 70 2.927 20.419 33.131 574 HG2 ARG 70 HG2 ARG 70 3.183 21.761 31.304 575 HG3 ARG 70 HG1 ARG 70 1.700 21.189 30.554 576 HD2 ARG 70 HD2 ARG 70 0.343 22.625 31.923 577 HD3 ARG 70 HD1 ARG 70 1.696 23.000 32.986 578 HE ARG 70 HE ARG 70 2.439 23.837 30.387 579 HH11 ARG 70 HH11 ARG 70 2.457 25.612 32.759 580 HH12 ARG 70 HH12 ARG 70 1.230 26.777 32.383 581 HH21 ARG 70 HH21 ARG 70 -0.175 24.780 29.867 582 HH22 ARG 70 HH22 ARG 70 -0.299 26.292 30.704 583 H LYS 71 HN LYS 71 -0.346 18.302 32.927 584 HA LYS 71 HA LYS 71 -1.983 17.657 30.786 585 HB2 LYS 71 HB2 LYS 71 -2.717 17.441 33.148 586 HB3 LYS 71 HB1 LYS 71 -2.787 19.193 33.307 587 HG2 LYS 71 HG2 LYS 71 -4.758 19.347 32.150 588 HG3 LYS 71 HG1 LYS 71 -4.302 18.082 31.015 589 HD2 LYS 71 HD2 LYS 71 -4.972 16.355 32.482 590 HD3 LYS 71 HD1 LYS 71 -4.944 17.415 33.887 591 HE2 LYS 71 HE2 LYS 71 -6.826 18.732 32.802 592 HE3 LYS 71 HE1 LYS 71 -6.930 17.456 31.597 593 HZ1 LYS 71 HZ1 LYS 71 -7.900 17.502 34.275 594 HZ2 LYS 71 HZ2 LYS 71 -6.935 16.135 33.981 595 HZ3 LYS 71 HZ3 LYS 71 -8.286 16.448 33.000 596 H LYS 72 HN LYS 72 -2.279 18.762 28.975 597 HA LYS 72 HA LYS 72 -2.441 21.729 29.090 598 HB2 LYS 72 HB2 LYS 72 -1.834 19.663 26.986 599 HB3 LYS 72 HB1 LYS 72 -2.571 21.164 26.439 600 HG2 LYS 72 HG2 LYS 72 -0.369 21.520 28.380 601 HG3 LYS 72 HG1 LYS 72 0.123 20.828 26.839 602 HD2 LYS 72 HD2 LYS 72 -0.707 22.689 25.612 603 HD3 LYS 72 HD1 LYS 72 -1.663 23.264 26.974 604 HE2 LYS 72 HE2 LYS 72 0.724 24.335 26.361 605 HE3 LYS 72 HE1 LYS 72 0.153 24.226 28.020 606 HZ1 LYS 72 HZ1 LYS 72 2.331 22.875 26.748 607 HZ2 LYS 72 HZ2 LYS 72 1.308 21.811 27.589 608 HZ3 LYS 72 HZ3 LYS 72 2.021 23.123 28.399 Start of MODEL 12 1 HA MET 1 HA MET 1 12.145 7.306 14.700 2 HB2 MET 1 HB2 MET 1 13.286 4.748 13.468 3 HB3 MET 1 HB1 MET 1 11.690 4.835 14.206 4 HG2 MET 1 HG2 MET 1 12.550 6.749 12.046 5 HG3 MET 1 HG1 MET 1 11.884 5.187 11.651 6 HE1 MET 1 HE1 MET 1 10.741 7.264 10.192 7 HE2 MET 1 HE2 MET 1 9.000 7.241 10.467 8 HE3 MET 1 HE3 MET 1 9.882 5.726 10.274 9 H ALA 2 HN ALA 2 11.437 5.247 16.143 10 HA ALA 2 HA ALA 2 13.539 4.277 17.906 11 HB1 ALA 2 HB1 ALA 2 13.356 6.583 18.764 12 HB2 ALA 2 HB2 ALA 2 12.617 5.498 19.937 13 HB3 ALA 2 HB3 ALA 2 11.603 6.449 18.856 14 H LYS 3 HN LYS 3 12.481 3.253 19.923 15 HA LYS 3 HA LYS 3 10.212 1.651 18.916 16 HB2 LYS 3 HB2 LYS 3 12.050 1.440 21.347 17 HB3 LYS 3 HB1 LYS 3 10.692 0.350 21.095 18 HG2 LYS 3 HG2 LYS 3 12.483 0.709 18.756 19 HG3 LYS 3 HG1 LYS 3 13.196 -0.127 20.131 20 HD2 LYS 3 HD2 LYS 3 11.376 -1.750 20.151 21 HD3 LYS 3 HD1 LYS 3 10.524 -0.864 18.890 22 HE2 LYS 3 HE2 LYS 3 11.637 -2.626 17.740 23 HE3 LYS 3 HE1 LYS 3 12.638 -1.207 17.456 24 HZ1 LYS 3 HZ1 LYS 3 14.330 -2.162 18.476 25 HZ2 LYS 3 HZ2 LYS 3 13.428 -3.600 18.551 26 HZ3 LYS 3 HZ3 LYS 3 13.400 -2.511 19.853 27 H LYS 4 HN LYS 4 8.710 0.943 20.888 28 HA LYS 4 HA LYS 4 7.898 3.386 22.403 29 HB2 LYS 4 HB2 LYS 4 6.575 2.929 20.179 30 HB3 LYS 4 HB1 LYS 4 5.866 1.570 21.041 31 HG2 LYS 4 HG2 LYS 4 4.364 3.053 21.865 32 HG3 LYS 4 HG1 LYS 4 5.676 3.663 22.868 33 HD2 LYS 4 HD2 LYS 4 6.285 5.293 21.143 34 HD3 LYS 4 HD1 LYS 4 5.063 4.639 20.057 35 HE2 LYS 4 HE2 LYS 4 4.300 6.703 21.264 36 HE3 LYS 4 HE1 LYS 4 3.281 5.303 21.580 37 HZ1 LYS 4 HZ1 LYS 4 5.489 5.571 23.402 38 HZ2 LYS 4 HZ2 LYS 4 3.846 5.280 23.715 39 HZ3 LYS 4 HZ3 LYS 4 4.394 6.868 23.463 40 H ASP 5 HN ASP 5 9.062 1.990 24.016 41 HA ASP 5 HA ASP 5 7.250 -0.126 25.106 42 HB2 ASP 5 HB2 ASP 5 10.251 0.351 25.348 43 HB3 ASP 5 HB1 ASP 5 9.398 -0.805 26.369 44 H VAL 6 HN VAL 6 7.375 2.927 25.518 45 HA VAL 6 HA VAL 6 7.882 3.010 28.439 46 HB VAL 6 HB VAL 6 7.133 5.494 28.013 47 HG11 VAL 6 HG11 VAL 6 9.612 4.167 26.936 48 HG12 VAL 6 HG12 VAL 6 9.430 5.158 28.382 49 HG13 VAL 6 HG13 VAL 6 9.399 5.907 26.790 50 HG21 VAL 6 HG21 VAL 6 6.118 4.771 25.750 51 HG22 VAL 6 HG22 VAL 6 7.776 4.744 25.156 52 HG23 VAL 6 HG23 VAL 6 7.081 6.245 25.758 53 H ILE 7 HN ILE 7 6.322 3.298 29.967 54 HA ILE 7 HA ILE 7 3.539 2.807 28.992 55 HB ILE 7 HB ILE 7 4.641 2.820 31.846 56 HG12 ILE 7 HG12 ILE 7 4.146 0.498 29.948 57 HG13 ILE 7 HG11 ILE 7 5.728 1.099 30.436 58 HG21 ILE 7 HG21 ILE 7 2.538 1.574 32.321 59 HG22 ILE 7 HG22 ILE 7 2.102 1.623 30.615 60 HG23 ILE 7 HG23 ILE 7 2.144 3.111 31.557 61 HD11 ILE 7 HD11 ILE 7 3.672 -0.359 32.073 62 HD12 ILE 7 HD12 ILE 7 4.783 0.746 32.877 63 HD13 ILE 7 HD13 ILE 7 5.409 -0.631 31.975 64 H GLU 8 HN GLU 8 2.671 4.704 28.411 65 HA GLU 8 HA GLU 8 3.177 7.182 29.811 66 HB2 GLU 8 HB2 GLU 8 0.937 6.393 27.880 67 HB3 GLU 8 HB1 GLU 8 1.329 8.043 28.349 68 HG2 GLU 8 HG2 GLU 8 3.551 7.848 27.357 69 HG3 GLU 8 HG1 GLU 8 3.281 6.143 27.004 70 H LEU 9 HN LEU 9 2.460 7.580 31.785 71 HA LEU 9 HA LEU 9 -0.357 6.807 32.462 72 HB2 LEU 9 HB2 LEU 9 2.216 6.214 33.876 73 HB3 LEU 9 HB1 LEU 9 0.898 6.763 34.906 74 HG LEU 9 HG LEU 9 0.674 4.487 32.906 75 HD11 LEU 9 HD11 LEU 9 2.193 4.104 34.935 76 HD12 LEU 9 HD12 LEU 9 0.842 2.986 34.772 77 HD13 LEU 9 HD13 LEU 9 0.755 4.309 35.932 78 HD21 LEU 9 HD21 LEU 9 -1.540 4.911 33.205 79 HD22 LEU 9 HD22 LEU 9 -1.226 6.017 34.539 80 HD23 LEU 9 HD23 LEU 9 -1.321 4.283 34.835 81 H GLU 10 HN GLU 10 -1.433 8.208 33.885 82 HA GLU 10 HA GLU 10 -0.283 10.944 33.905 83 HB2 GLU 10 HB2 GLU 10 -3.093 9.850 34.363 84 HB3 GLU 10 HB1 GLU 10 -2.689 11.552 34.565 85 HG2 GLU 10 HG2 GLU 10 -1.852 11.588 32.200 86 HG3 GLU 10 HG1 GLU 10 -2.399 9.923 32.017 87 H GLY 11 HN GLY 11 -0.018 12.161 35.761 88 HA2 GLY 11 HA2 GLY 11 -0.811 10.947 38.334 89 HA3 GLY 11 HA1 GLY 11 0.922 11.115 38.071 90 H THR 12 HN THR 12 0.368 12.444 40.109 91 HA THR 12 HA THR 12 -0.002 15.271 39.224 92 HB THR 12 HB THR 12 -1.347 13.725 41.463 93 HG1 THR 12 HG1 THR 12 -2.792 15.608 40.764 94 HG21 THR 12 HG21 THR 12 -1.851 16.143 42.396 95 HG22 THR 12 HG22 THR 12 -0.383 16.630 41.555 96 HG23 THR 12 HG23 THR 12 -0.303 15.437 42.847 97 H VAL 13 HN VAL 13 1.570 16.605 39.843 98 HA VAL 13 HA VAL 13 3.906 15.532 41.147 99 HB VAL 13 HB VAL 13 3.002 18.418 40.744 100 HG11 VAL 13 HG21 VAL 13 4.654 18.326 42.542 101 HG12 VAL 13 HG22 VAL 13 5.444 18.932 41.089 102 HG13 VAL 13 HG23 VAL 13 5.681 17.260 41.587 103 HG21 VAL 13 HG11 VAL 13 4.965 16.668 39.238 104 HG22 VAL 13 HG12 VAL 13 4.576 18.341 38.853 105 HG23 VAL 13 HG13 VAL 13 3.350 17.091 38.680 106 H SER 14 HN SER 14 4.068 14.969 43.179 107 HA SER 14 HA SER 14 2.295 16.269 45.156 108 HB2 SER 14 HB2 SER 14 3.335 14.379 46.651 109 HB3 SER 14 HB1 SER 14 2.298 13.856 45.310 110 HG SER 14 HG SER 14 4.760 13.177 45.644 111 H GLU 15 HN GLU 15 5.787 15.824 44.549 112 HA GLU 15 HA GLU 15 6.231 18.096 46.427 113 HB2 GLU 15 HB2 GLU 15 6.478 15.729 47.557 114 HB3 GLU 15 HB1 GLU 15 7.971 15.613 46.634 115 HG2 GLU 15 HG2 GLU 15 8.890 17.560 47.704 116 HG3 GLU 15 HG1 GLU 15 7.332 17.987 48.407 117 H ALA 16 HN ALA 16 8.177 19.194 46.150 118 HA ALA 16 HA ALA 16 9.419 18.722 43.486 119 HB1 ALA 16 HB1 ALA 16 8.564 20.988 43.783 120 HB2 ALA 16 HB2 ALA 16 10.317 21.100 43.907 121 HB3 ALA 16 HB3 ALA 16 9.328 21.131 45.363 122 H LEU 17 HN LEU 17 11.449 18.060 43.302 123 HA LEU 17 HA LEU 17 13.164 18.080 45.746 124 HB2 LEU 17 HB2 LEU 17 13.217 16.052 43.475 125 HB3 LEU 17 HB1 LEU 17 14.074 15.933 45.005 126 HG LEU 17 HG LEU 17 11.069 16.182 44.926 127 HD11 LEU 17 HD21 LEU 17 10.855 13.804 44.869 128 HD12 LEU 17 HD22 LEU 17 12.591 13.574 45.046 129 HD13 LEU 17 HD23 LEU 17 11.938 14.211 43.542 130 HD21 LEU 17 HD11 LEU 17 13.080 15.063 46.901 131 HD22 LEU 17 HD12 LEU 17 11.333 15.019 47.121 132 HD23 LEU 17 HD13 LEU 17 12.175 16.564 47.073 133 HA PRO 18 HA PRO 18 16.163 20.325 43.479 134 HB2 PRO 18 HB2 PRO 18 18.432 18.857 44.497 135 HB3 PRO 18 HB1 PRO 18 17.830 20.415 45.067 136 HG2 PRO 18 HG2 PRO 18 17.591 17.811 46.366 137 HG3 PRO 18 HG1 PRO 18 17.110 19.388 46.993 138 HD2 PRO 18 HD1 PRO 18 15.380 17.308 46.073 139 HD3 PRO 18 HD2 PRO 18 14.921 18.949 46.553 140 H ASN 19 HN ASN 19 18.671 19.329 42.720 141 HA ASN 19 HA ASN 19 19.563 18.380 40.798 142 HB2 ASN 19 HB2 ASN 19 17.967 16.092 42.021 143 HB3 ASN 19 HB1 ASN 19 19.105 15.861 40.697 144 HD21 ASN 19 HD21 ASN 19 21.220 17.523 41.414 145 HD22 ASN 19 HD22 ASN 19 21.880 17.020 42.894 146 H ALA 20 HN ALA 20 16.586 19.372 40.749 147 HA ALA 20 HA ALA 20 15.091 19.748 38.981 148 HB1 ALA 20 HB1 ALA 20 17.468 19.363 37.722 149 HB2 ALA 20 HB2 ALA 20 15.964 19.564 36.830 150 HB3 ALA 20 HB3 ALA 20 16.611 17.952 37.113 151 H MET 21 HN MET 21 14.512 17.641 40.761 152 HA MET 21 HA MET 21 12.957 15.885 38.964 153 HB2 MET 21 HB2 MET 21 13.511 14.143 41.002 154 HB3 MET 21 HB1 MET 21 14.487 14.220 39.543 155 HG2 MET 21 HG2 MET 21 15.946 15.890 40.671 156 HG3 MET 21 HG1 MET 21 15.011 15.686 42.128 157 HE1 MET 21 HE1 MET 21 16.420 14.949 43.918 158 HE2 MET 21 HE2 MET 21 16.708 13.216 44.073 159 HE3 MET 21 HE3 MET 21 15.086 13.811 43.717 160 H PHE 22 HN PHE 22 11.327 14.687 40.322 161 HA PHE 22 HA PHE 22 10.526 15.947 42.808 162 HB2 PHE 22 HB2 PHE 22 8.186 16.529 41.638 163 HB3 PHE 22 HB1 PHE 22 9.509 17.678 41.585 164 HD1 PHE 22 HD1 PHE 22 8.349 18.659 39.575 165 HD2 PHE 22 HD2 PHE 22 9.897 14.695 39.475 166 HE1 PHE 22 HE1 PHE 22 8.239 18.647 37.125 167 HE2 PHE 22 HE2 PHE 22 9.864 14.746 37.042 168 HZ PHE 22 HZ PHE 22 9.039 16.720 35.871 169 H LYS 23 HN LYS 23 8.440 15.145 43.604 170 HA LYS 23 HA LYS 23 8.172 12.277 42.888 171 HB2 LYS 23 HB2 LYS 23 8.510 13.133 45.314 172 HB3 LYS 23 HB1 LYS 23 6.885 13.798 45.207 173 HG2 LYS 23 HG2 LYS 23 6.155 11.423 44.492 174 HG3 LYS 23 HG1 LYS 23 7.730 10.897 45.075 175 HD2 LYS 23 HD2 LYS 23 6.266 12.668 46.942 176 HD3 LYS 23 HD1 LYS 23 5.498 11.113 46.658 177 HE2 LYS 23 HE2 LYS 23 8.331 11.607 47.605 178 HE3 LYS 23 HE1 LYS 23 7.028 10.843 48.507 179 HZ1 LYS 23 HZ1 LYS 23 8.860 9.676 46.716 180 HZ2 LYS 23 HZ2 LYS 23 7.282 9.444 46.132 181 HZ3 LYS 23 HZ3 LYS 23 7.694 8.922 47.694 182 H VAL 24 HN VAL 24 6.308 11.466 42.026 183 HA VAL 24 HA VAL 24 4.010 13.368 41.729 184 HB VAL 24 HB VAL 24 5.238 11.526 39.642 185 HG11 VAL 24 HG11 VAL 24 2.795 11.403 39.492 186 HG12 VAL 24 HG12 VAL 24 3.413 12.373 38.158 187 HG13 VAL 24 HG13 VAL 24 2.684 13.159 39.554 188 HG21 VAL 24 HG21 VAL 24 4.681 14.472 39.387 189 HG22 VAL 24 HG22 VAL 24 5.824 13.489 38.481 190 HG23 VAL 24 HG23 VAL 24 6.159 13.906 40.157 191 H LYS 25 HN LYS 25 2.015 12.531 41.853 192 HA LYS 25 HA LYS 25 1.881 9.704 42.812 193 HB2 LYS 25 HB2 LYS 25 0.158 12.171 43.203 194 HB3 LYS 25 HB1 LYS 25 -0.511 10.573 43.512 195 HG2 LYS 25 HG2 LYS 25 1.377 10.115 45.074 196 HG3 LYS 25 HG1 LYS 25 1.975 11.745 44.802 197 HD2 LYS 25 HD2 LYS 25 -0.135 12.683 45.669 198 HD3 LYS 25 HD1 LYS 25 -0.772 11.058 45.902 199 HE2 LYS 25 HE2 LYS 25 1.219 10.606 47.417 200 HE3 LYS 25 HE1 LYS 25 1.595 12.322 47.316 201 HZ1 LYS 25 HZ1 LYS 25 -0.086 11.160 49.103 202 HZ2 LYS 25 HZ2 LYS 25 -1.149 11.831 47.960 203 HZ3 LYS 25 HZ3 LYS 25 -0.011 12.818 48.742 204 H LEU 26 HN LEU 26 1.195 8.240 41.399 205 HA LEU 26 HA LEU 26 -0.078 8.980 38.928 206 HB2 LEU 26 HB2 LEU 26 0.213 6.232 40.228 207 HB3 LEU 26 HB1 LEU 26 -0.107 6.542 38.528 208 HG LEU 26 HG LEU 26 2.091 7.974 38.641 209 HD11 LEU 26 HD21 LEU 26 2.776 8.014 40.851 210 HD12 LEU 26 HD22 LEU 26 3.642 6.582 40.308 211 HD13 LEU 26 HD23 LEU 26 2.134 6.410 41.193 212 HD21 LEU 26 HD11 LEU 26 1.880 5.944 37.295 213 HD22 LEU 26 HD12 LEU 26 2.070 4.938 38.728 214 HD23 LEU 26 HD13 LEU 26 3.421 5.905 38.144 215 H GLU 27 HN GLU 27 -2.112 7.826 38.244 216 HA GLU 27 HA GLU 27 -4.248 8.624 39.989 217 HB2 GLU 27 HB2 GLU 27 -4.971 8.652 37.768 218 HB3 GLU 27 HB1 GLU 27 -3.933 7.311 37.307 219 HG2 GLU 27 HG2 GLU 27 -5.455 5.707 38.304 220 HG3 GLU 27 HG1 GLU 27 -6.434 7.000 38.989 221 H ASN 28 HN ASN 28 -2.383 5.781 39.673 222 HA ASN 28 HA ASN 28 -4.309 3.896 40.676 223 HB2 ASN 28 HB2 ASN 28 -1.251 3.939 40.728 224 HB3 ASN 28 HB1 ASN 28 -2.221 2.547 41.175 225 HD21 ASN 28 HD21 ASN 28 -0.592 2.019 39.111 226 HD22 ASN 28 HD22 ASN 28 -1.416 2.032 37.626 227 H GLY 29 HN GLY 29 -2.538 6.421 42.130 228 HA2 GLY 29 HA2 GLY 29 -3.133 7.147 44.394 229 HA3 GLY 29 HA1 GLY 29 -3.403 5.463 44.824 230 H HIS 30 HN HIS 30 -0.749 5.128 43.104 231 HA HIS 30 HA HIS 30 0.966 5.288 45.511 232 HB2 HIS 30 HB2 HIS 30 1.770 4.273 42.757 233 HB3 HIS 30 HB1 HIS 30 2.423 3.797 44.324 234 HD1 HIS 30 HD1 HIS 30 -0.142 2.904 42.019 235 HD2 HIS 30 HD2 HIS 30 0.504 2.329 45.976 236 HE1 HIS 30 HE1 HIS 30 -1.638 1.106 42.642 237 H GLU 31 HN GLU 31 3.368 5.828 44.906 238 HA GLU 31 HA GLU 31 3.424 8.256 43.222 239 HB2 GLU 31 HB2 GLU 31 4.733 9.428 44.958 240 HB3 GLU 31 HB1 GLU 31 3.222 8.869 45.664 241 HG2 GLU 31 HG2 GLU 31 4.618 6.716 46.256 242 HG3 GLU 31 HG1 GLU 31 6.003 7.784 46.045 243 H ILE 32 HN ILE 32 5.224 8.603 42.067 244 HA ILE 32 HA ILE 32 7.508 6.751 42.499 245 HB ILE 32 HB ILE 32 6.140 7.384 39.907 246 HG12 ILE 32 HG12 ILE 32 5.183 5.613 41.534 247 HG13 ILE 32 HG11 ILE 32 5.402 5.155 39.850 248 HG21 ILE 32 HG21 ILE 32 8.753 5.995 40.558 249 HG22 ILE 32 HG22 ILE 32 8.459 7.236 39.346 250 HG23 ILE 32 HG23 ILE 32 7.880 5.596 39.083 251 HD11 ILE 32 HD11 ILE 32 6.288 3.537 41.698 252 HD12 ILE 32 HD12 ILE 32 7.608 4.681 41.858 253 HD13 ILE 32 HD13 ILE 32 7.331 3.872 40.323 254 H LEU 33 HN LEU 33 9.405 7.462 41.044 255 HA LEU 33 HA LEU 33 9.729 10.333 41.553 256 HB2 LEU 33 HB2 LEU 33 11.654 8.146 40.638 257 HB3 LEU 33 HB1 LEU 33 12.136 9.817 40.917 258 HG LEU 33 HG LEU 33 10.666 8.311 43.072 259 HD11 LEU 33 HD21 LEU 33 13.679 8.291 42.737 260 HD12 LEU 33 HD22 LEU 33 12.656 6.947 42.241 261 HD13 LEU 33 HD23 LEU 33 12.730 7.420 43.936 262 HD21 LEU 33 HD11 LEU 33 11.848 9.884 44.508 263 HD22 LEU 33 HD12 LEU 33 11.111 10.791 43.193 264 HD23 LEU 33 HD13 LEU 33 12.835 10.436 43.158 265 H CYS 34 HN CYS 34 10.201 11.832 39.990 266 HA CYS 34 HA CYS 34 10.055 10.903 37.146 267 HB2 CYS 34 HB2 CYS 34 8.544 13.205 38.453 268 HB3 CYS 34 HB1 CYS 34 8.623 12.956 36.731 269 HG CYS 34 HG1 CYS 34 6.781 11.346 36.870 270 H HIS 35 HN HIS 35 11.090 12.271 35.650 271 HA HIS 35 HA HIS 35 12.820 14.389 36.895 272 HB2 HIS 35 HB2 HIS 35 14.152 12.345 36.394 273 HB3 HIS 35 HB1 HIS 35 13.566 12.355 34.734 274 HD1 HIS 35 HD1 HIS 35 15.113 13.529 33.264 275 HD2 HIS 35 HD2 HIS 35 15.500 14.996 37.022 276 HE1 HIS 35 HE1 HIS 35 16.885 15.170 33.102 277 H ILE 36 HN ILE 36 13.274 16.179 35.655 278 HA ILE 36 HA ILE 36 11.340 16.680 33.516 279 HB ILE 36 HB ILE 36 13.380 18.355 35.021 280 HG12 ILE 36 HG12 ILE 36 10.433 18.878 34.692 281 HG13 ILE 36 HG11 ILE 36 11.000 17.675 35.844 282 HG21 ILE 36 HG21 ILE 36 11.667 19.082 32.590 283 HG22 ILE 36 HG22 ILE 36 13.417 19.219 32.729 284 HG23 ILE 36 HG23 ILE 36 12.373 20.295 33.654 285 HD11 ILE 36 HD11 ILE 36 10.796 20.362 36.393 286 HD12 ILE 36 HD12 ILE 36 12.491 20.218 35.945 287 HD13 ILE 36 HD13 ILE 36 11.845 19.246 37.263 288 H SER 37 HN SER 37 12.138 17.840 31.530 289 HA SER 37 HA SER 37 14.877 17.186 30.750 290 HB2 SER 37 HB2 SER 37 13.888 15.957 28.643 291 HB3 SER 37 HB1 SER 37 13.843 15.063 30.175 292 HG SER 37 HG SER 37 11.752 15.279 30.227 293 H GLY 38 HN GLY 38 15.463 18.054 28.682 294 HA2 GLY 38 HA2 GLY 38 14.657 20.699 28.259 295 HA3 GLY 38 HA1 GLY 38 15.435 19.714 27.025 296 H LYS 39 HN LYS 39 12.782 18.005 27.761 297 HA LYS 39 HA LYS 39 11.456 18.639 25.324 298 HB2 LYS 39 HB2 LYS 39 10.790 17.015 27.782 299 HB3 LYS 39 HB1 LYS 39 9.496 17.364 26.643 300 HG2 LYS 39 HG2 LYS 39 12.140 16.276 25.677 301 HG3 LYS 39 HG1 LYS 39 10.892 15.193 26.283 302 HD2 LYS 39 HD2 LYS 39 10.079 17.271 24.288 303 HD3 LYS 39 HD1 LYS 39 10.997 15.889 23.701 304 HE2 LYS 39 HE2 LYS 39 8.531 15.618 25.437 305 HE3 LYS 39 HE1 LYS 39 8.470 15.589 23.681 306 HZ1 LYS 39 HZ1 LYS 39 8.881 13.448 25.285 307 HZ2 LYS 39 HZ2 LYS 39 10.453 13.828 24.765 308 HZ3 LYS 39 HZ3 LYS 39 9.232 13.521 23.625 309 H LEU 40 HN LEU 40 10.312 19.152 28.647 310 HA LEU 40 HA LEU 40 8.122 20.762 27.972 311 HB2 LEU 40 HB2 LEU 40 9.962 21.304 30.351 312 HB3 LEU 40 HB1 LEU 40 8.227 21.565 30.267 313 HG LEU 40 HG LEU 40 9.705 18.929 30.401 314 HD11 LEU 40 HD11 LEU 40 7.508 20.242 32.040 315 HD12 LEU 40 HD12 LEU 40 9.173 19.979 32.547 316 HD13 LEU 40 HD13 LEU 40 8.100 18.604 32.306 317 HD21 LEU 40 HD21 LEU 40 8.099 18.365 28.806 318 HD22 LEU 40 HD22 LEU 40 6.957 19.575 29.381 319 HD23 LEU 40 HD23 LEU 40 7.196 18.092 30.295 320 H ARG 41 HN ARG 41 11.470 21.404 27.767 321 HA ARG 41 HA ARG 41 11.114 24.307 27.702 322 HB2 ARG 41 HB2 ARG 41 13.373 22.373 27.659 323 HB3 ARG 41 HB1 ARG 41 13.635 23.803 26.671 324 HG2 ARG 41 HG2 ARG 41 12.592 24.047 29.490 325 HG3 ARG 41 HG1 ARG 41 14.319 23.897 29.184 326 HD2 ARG 41 HD2 ARG 41 12.532 25.988 27.893 327 HD3 ARG 41 HD1 ARG 41 13.555 26.286 29.297 328 HE ARG 41 HE ARG 41 15.064 25.165 27.082 329 HH11 ARG 41 HH11 ARG 41 16.064 26.616 25.658 330 HH12 ARG 41 HH12 ARG 41 16.116 28.297 26.071 331 HH21 ARG 41 HH21 ARG 41 14.033 27.882 28.859 332 HH22 ARG 41 HH22 ARG 41 14.934 29.034 27.931 333 H MET 42 HN MET 42 11.209 21.626 25.557 334 HA MET 42 HA MET 42 11.506 23.329 23.197 335 HB2 MET 42 HB2 MET 42 12.392 20.847 23.609 336 HB3 MET 42 HB1 MET 42 10.764 20.398 23.113 337 HG2 MET 42 HG2 MET 42 11.182 22.029 21.132 338 HG3 MET 42 HG1 MET 42 12.865 21.880 21.557 339 HE1 MET 42 HE1 MET 42 9.994 18.929 21.299 340 HE2 MET 42 HE2 MET 42 10.074 18.981 19.538 341 HE3 MET 42 HE3 MET 42 9.716 20.449 20.448 342 H ASN 43 HN ASN 43 9.027 21.892 25.128 343 HA ASN 43 HA ASN 43 7.019 22.207 22.962 344 HB2 ASN 43 HB2 ASN 43 7.146 20.269 24.756 345 HB3 ASN 43 HB1 ASN 43 6.421 21.447 25.847 346 HD21 ASN 43 HD21 ASN 43 5.120 22.570 23.175 347 HD22 ASN 43 HD22 ASN 43 3.755 21.576 22.996 348 H PHE 44 HN PHE 44 8.491 24.260 24.991 349 HA PHE 44 HA PHE 44 7.922 26.324 25.945 350 HB2 PHE 44 HB2 PHE 44 5.676 26.125 23.869 351 HB3 PHE 44 HB1 PHE 44 6.252 27.610 24.621 352 HD1 PHE 44 HD1 PHE 44 8.210 28.711 23.805 353 HD2 PHE 44 HD2 PHE 44 7.275 24.794 22.409 354 HE1 PHE 44 HE1 PHE 44 9.968 28.894 22.100 355 HE2 PHE 44 HE2 PHE 44 9.035 24.985 20.706 356 HZ PHE 44 HZ PHE 44 10.381 27.034 20.551 357 H ILE 45 HN ILE 45 7.235 24.781 27.775 358 HA ILE 45 HA ILE 45 4.531 25.609 28.579 359 HB ILE 45 HB ILE 45 5.551 22.761 28.330 360 HG12 ILE 45 HG12 ILE 45 2.917 24.084 27.603 361 HG13 ILE 45 HG11 ILE 45 4.230 23.756 26.481 362 HG21 ILE 45 HG21 ILE 45 4.717 22.937 30.629 363 HG22 ILE 45 HG22 ILE 45 3.451 22.165 29.683 364 HG23 ILE 45 HG23 ILE 45 3.318 23.867 30.106 365 HD11 ILE 45 HD11 ILE 45 3.019 21.817 26.155 366 HD12 ILE 45 HD12 ILE 45 2.328 21.855 27.774 367 HD13 ILE 45 HD13 ILE 45 3.979 21.292 27.536 368 H ARG 46 HN ARG 46 4.127 25.131 30.900 369 HA ARG 46 HA ARG 46 6.628 24.990 32.490 370 HB2 ARG 46 HB2 ARG 46 5.684 27.387 32.146 371 HB3 ARG 46 HB1 ARG 46 4.324 26.872 33.140 372 HG2 ARG 46 HG2 ARG 46 6.030 26.163 34.900 373 HG3 ARG 46 HG1 ARG 46 7.249 26.984 33.934 374 HD2 ARG 46 HD2 ARG 46 4.750 28.261 35.102 375 HD3 ARG 46 HD1 ARG 46 6.400 28.504 35.675 376 HE ARG 46 HE ARG 46 5.245 29.638 33.211 377 HH11 ARG 46 HH11 ARG 46 7.360 30.090 35.698 378 HH12 ARG 46 HH12 ARG 46 8.657 30.753 34.758 379 HH21 ARG 46 HH21 ARG 46 7.119 29.957 31.710 380 HH22 ARG 46 HH22 ARG 46 8.517 30.674 32.441 381 H ILE 47 HN ILE 47 6.480 23.895 34.391 382 HA ILE 47 HA ILE 47 3.769 22.922 35.199 383 HB ILE 47 HB ILE 47 6.344 21.291 35.011 384 HG12 ILE 47 HG12 ILE 47 3.756 21.161 33.422 385 HG13 ILE 47 HG11 ILE 47 5.310 21.727 32.819 386 HG21 ILE 47 HG21 ILE 47 4.931 19.410 35.747 387 HG22 ILE 47 HG22 ILE 47 3.493 20.426 35.713 388 HG23 ILE 47 HG23 ILE 47 4.745 20.711 36.919 389 HD11 ILE 47 HD11 ILE 47 4.475 18.933 33.558 390 HD12 ILE 47 HD12 ILE 47 6.175 19.386 33.648 391 HD13 ILE 47 HD13 ILE 47 5.317 19.492 32.115 392 H LEU 48 HN LEU 48 3.479 22.498 37.377 393 HA LEU 48 HA LEU 48 5.735 23.095 39.207 394 HB2 LEU 48 HB2 LEU 48 4.315 24.696 40.483 395 HB3 LEU 48 HB1 LEU 48 4.504 25.245 38.823 396 HG LEU 48 HG LEU 48 2.160 23.555 39.720 397 HD11 LEU 48 HD11 LEU 48 2.347 25.787 40.943 398 HD12 LEU 48 HD12 LEU 48 0.877 25.575 39.997 399 HD13 LEU 48 HD13 LEU 48 2.191 26.566 39.373 400 HD21 LEU 48 HD21 LEU 48 1.340 25.071 37.614 401 HD22 LEU 48 HD22 LEU 48 2.047 23.469 37.428 402 HD23 LEU 48 HD23 LEU 48 3.050 24.901 37.227 403 H GLU 49 HN GLU 49 4.678 22.941 41.589 404 HA GLU 49 HA GLU 49 3.825 20.224 41.792 405 HB2 GLU 49 HB2 GLU 49 3.842 22.305 44.006 406 HB3 GLU 49 HB1 GLU 49 4.002 20.562 44.190 407 HG2 GLU 49 HG2 GLU 49 6.144 20.662 42.898 408 HG3 GLU 49 HG1 GLU 49 5.994 22.416 42.841 409 H GLY 50 HN GLY 50 1.898 19.427 42.715 410 HA2 GLY 50 HA2 GLY 50 -0.394 19.543 43.332 411 HA3 GLY 50 HA1 GLY 50 -0.316 21.297 43.185 412 H ASP 51 HN ASP 51 1.049 20.608 40.460 413 HA ASP 51 HA ASP 51 -1.498 20.691 38.985 414 HB2 ASP 51 HB2 ASP 51 1.328 21.481 38.501 415 HB3 ASP 51 HB1 ASP 51 0.509 20.827 37.087 416 H LYS 52 HN LYS 52 -2.132 19.157 37.497 417 HA LYS 52 HA LYS 52 -1.061 16.532 37.861 418 HB2 LYS 52 HB2 LYS 52 -3.472 17.708 36.815 419 HB3 LYS 52 HB1 LYS 52 -2.801 16.679 35.555 420 HG2 LYS 52 HG2 LYS 52 -2.668 14.803 37.167 421 HG3 LYS 52 HG1 LYS 52 -3.359 15.835 38.414 422 HD2 LYS 52 HD2 LYS 52 -5.401 16.126 37.076 423 HD3 LYS 52 HD1 LYS 52 -4.711 15.149 35.784 424 HE2 LYS 52 HE2 LYS 52 -5.039 13.181 36.919 425 HE3 LYS 52 HE1 LYS 52 -4.703 13.911 38.484 426 HZ1 LYS 52 HZ1 LYS 52 -6.862 14.021 38.839 427 HZ2 LYS 52 HZ2 LYS 52 -7.187 13.379 37.301 428 HZ3 LYS 52 HZ3 LYS 52 -7.042 15.058 37.506 429 H VAL 53 HN VAL 53 -0.209 15.160 36.273 430 HA VAL 53 HA VAL 53 0.750 16.470 33.797 431 HB VAL 53 HB VAL 53 3.098 15.815 34.412 432 HG11 VAL 53 HG21 VAL 53 1.873 17.647 36.462 433 HG12 VAL 53 HG22 VAL 53 2.145 18.123 34.787 434 HG13 VAL 53 HG23 VAL 53 3.508 17.710 35.820 435 HG21 VAL 53 HG11 VAL 53 2.979 14.167 36.044 436 HG22 VAL 53 HG12 VAL 53 1.658 14.962 36.881 437 HG23 VAL 53 HG13 VAL 53 3.291 15.579 37.046 438 H ASN 54 HN ASN 54 2.149 14.943 32.512 439 HA ASN 54 HA ASN 54 0.982 12.205 32.730 440 HB2 ASN 54 HB2 ASN 54 1.655 13.999 30.500 441 HB3 ASN 54 HB1 ASN 54 2.371 12.414 30.286 442 HD21 ASN 54 HD21 ASN 54 -0.773 13.888 31.244 443 HD22 ASN 54 HD22 ASN 54 -1.725 12.727 30.452 444 H VAL 55 HN VAL 55 2.278 10.648 33.443 445 HA VAL 55 HA VAL 55 5.189 11.184 33.532 446 HB VAL 55 HB VAL 55 3.706 8.928 34.920 447 HG11 VAL 55 HG11 VAL 55 5.581 9.257 36.566 448 HG12 VAL 55 HG12 VAL 55 6.261 10.472 35.489 449 HG13 VAL 55 HG13 VAL 55 6.146 8.796 34.964 450 HG21 VAL 55 HG21 VAL 55 2.593 11.108 35.428 451 HG22 VAL 55 HG22 VAL 55 4.144 11.747 35.963 452 HG23 VAL 55 HG23 VAL 55 3.388 10.420 36.840 453 H GLU 56 HN GLU 56 6.595 10.012 32.463 454 HA GLU 56 HA GLU 56 5.568 7.700 30.872 455 HB2 GLU 56 HB2 GLU 56 7.488 9.937 30.365 456 HB3 GLU 56 HB1 GLU 56 7.977 8.366 29.736 457 HG2 GLU 56 HG2 GLU 56 5.660 8.180 28.706 458 HG3 GLU 56 HG1 GLU 56 5.414 9.866 29.149 459 H LEU 57 HN LEU 57 6.110 5.845 31.819 460 HA LEU 57 HA LEU 57 8.435 5.709 33.583 461 HB2 LEU 57 HB2 LEU 57 6.609 3.511 32.488 462 HB3 LEU 57 HB1 LEU 57 7.769 3.302 33.794 463 HG LEU 57 HG LEU 57 5.777 5.532 34.043 464 HD11 LEU 57 HD11 LEU 57 4.108 3.998 33.618 465 HD12 LEU 57 HD12 LEU 57 4.425 3.553 35.291 466 HD13 LEU 57 HD13 LEU 57 5.138 2.616 33.980 467 HD21 LEU 57 HD21 LEU 57 5.917 4.715 36.446 468 HD22 LEU 57 HD22 LEU 57 7.441 5.292 35.779 469 HD23 LEU 57 HD23 LEU 57 7.135 3.563 35.912 470 H SER 58 HN SER 58 10.438 5.389 32.918 471 HA SER 58 HA SER 58 10.924 4.712 30.120 472 HB2 SER 58 HB2 SER 58 13.054 4.870 32.283 473 HB3 SER 58 HB1 SER 58 13.183 5.338 30.577 474 HG SER 58 HG SER 58 11.124 6.534 31.950 475 HA PRO 59 HA PRO 59 11.141 0.324 30.773 476 HB2 PRO 59 HB2 PRO 59 12.765 -0.022 28.390 477 HB3 PRO 59 HB1 PRO 59 11.041 -0.355 28.568 478 HG2 PRO 59 HG2 PRO 59 12.294 1.853 27.154 479 HG3 PRO 59 HG1 PRO 59 10.572 1.487 27.280 480 HD2 PRO 59 HD1 PRO 59 12.001 3.618 28.576 481 HD3 PRO 59 HD2 PRO 59 10.291 3.186 28.767 482 H TYR 60 HN TYR 60 13.576 2.516 30.954 483 HA TYR 60 HA TYR 60 15.789 0.683 31.102 484 HB2 TYR 60 HB2 TYR 60 15.441 3.668 31.555 485 HB3 TYR 60 HB1 TYR 60 16.952 2.861 31.956 486 HD1 TYR 60 HD1 TYR 60 15.130 1.447 29.146 487 HD2 TYR 60 HD2 TYR 60 17.997 4.401 30.228 488 HE1 TYR 60 HE1 TYR 60 15.828 1.626 26.808 489 HE2 TYR 60 HE2 TYR 60 18.698 4.572 27.887 490 HH TYR 60 HH TYR 60 17.464 4.088 25.557 491 H ASP 61 HN ASP 61 13.408 2.083 33.051 492 HA ASP 61 HA ASP 61 14.122 0.478 35.287 493 HB2 ASP 61 HB2 ASP 61 15.607 2.824 35.123 494 HB3 ASP 61 HB1 ASP 61 14.268 3.315 36.156 495 H LEU 62 HN LEU 62 12.037 -0.137 35.460 496 HA LEU 62 HA LEU 62 9.825 1.679 35.218 497 HB2 LEU 62 HB2 LEU 62 9.987 -1.082 36.511 498 HB3 LEU 62 HB1 LEU 62 8.491 -0.258 36.087 499 HG LEU 62 HG LEU 62 10.469 -0.439 33.893 500 HD11 LEU 62 HD21 LEU 62 10.881 -2.633 34.760 501 HD12 LEU 62 HD22 LEU 62 9.714 -2.847 33.459 502 HD13 LEU 62 HD23 LEU 62 9.179 -2.879 35.136 503 HD21 LEU 62 HD11 LEU 62 8.109 0.428 33.715 504 HD22 LEU 62 HD12 LEU 62 7.535 -1.198 34.077 505 HD23 LEU 62 HD13 LEU 62 8.453 -0.895 32.606 506 H THR 63 HN THR 63 11.992 2.103 37.259 507 HA THR 63 HA THR 63 10.308 2.243 39.715 508 HB THR 63 HB THR 63 12.736 2.967 40.640 509 HG1 THR 63 HG1 THR 63 14.185 1.717 39.115 510 HG21 THR 63 HG21 THR 63 13.252 0.647 41.054 511 HG22 THR 63 HG22 THR 63 12.582 0.139 39.507 512 HG23 THR 63 HG23 THR 63 11.507 0.600 40.823 513 H ARG 64 HN ARG 64 11.456 4.127 37.153 514 HA ARG 64 HA ARG 64 10.497 6.570 38.510 515 HB2 ARG 64 HB2 ARG 64 12.886 6.623 38.976 516 HB3 ARG 64 HB1 ARG 64 13.284 6.134 37.336 517 HG2 ARG 64 HG2 ARG 64 11.633 8.531 37.350 518 HG3 ARG 64 HG1 ARG 64 13.090 8.761 38.299 519 HD2 ARG 64 HD2 ARG 64 14.321 7.675 36.261 520 HD3 ARG 64 HD1 ARG 64 12.847 8.052 35.373 521 HE ARG 64 HE ARG 64 13.251 10.459 36.053 522 HH11 ARG 64 HH11 ARG 64 15.444 8.797 34.419 523 HH12 ARG 64 HH12 ARG 64 16.866 9.607 34.986 524 HH21 ARG 64 HH21 ARG 64 15.160 11.210 37.593 525 HH22 ARG 64 HH22 ARG 64 16.701 11.007 36.829 526 H GLY 65 HN GLY 65 9.688 8.093 37.107 527 HA2 GLY 65 HA2 GLY 65 9.707 7.380 34.198 528 HA3 GLY 65 HA1 GLY 65 8.280 8.016 35.006 529 H ARG 66 HN ARG 66 8.295 9.753 33.438 530 HA ARG 66 HA ARG 66 9.909 12.003 34.420 531 HB2 ARG 66 HB2 ARG 66 10.773 12.479 32.045 532 HB3 ARG 66 HB1 ARG 66 11.487 11.062 32.805 533 HG2 ARG 66 HG2 ARG 66 9.530 9.768 31.655 534 HG3 ARG 66 HG1 ARG 66 9.408 11.187 30.628 535 HD2 ARG 66 HD2 ARG 66 11.825 9.394 31.011 536 HD3 ARG 66 HD1 ARG 66 10.915 9.660 29.525 537 HE ARG 66 HE ARG 66 11.906 12.174 30.433 538 HH11 ARG 66 HH11 ARG 66 12.285 9.820 28.150 539 HH12 ARG 66 HH12 ARG 66 13.958 10.119 27.815 540 HH21 ARG 66 HH21 ARG 66 14.313 12.316 30.524 541 HH22 ARG 66 HH22 ARG 66 15.137 11.573 29.194 542 H ILE 67 HN ILE 67 9.104 14.002 33.832 543 HA ILE 67 HA ILE 67 6.316 13.956 32.757 544 HB ILE 67 HB ILE 67 8.024 16.155 34.027 545 HG12 ILE 67 HG12 ILE 67 7.131 13.934 35.295 546 HG13 ILE 67 HG11 ILE 67 7.246 15.488 36.076 547 HG21 ILE 67 HG21 ILE 67 6.194 17.029 32.573 548 HG22 ILE 67 HG22 ILE 67 5.794 17.322 34.259 549 HG23 ILE 67 HG23 ILE 67 5.023 16.005 33.383 550 HD11 ILE 67 HD11 ILE 67 4.898 15.949 35.622 551 HD12 ILE 67 HD12 ILE 67 5.081 14.445 36.501 552 HD13 ILE 67 HD13 ILE 67 4.756 14.410 34.776 553 H THR 68 HN THR 68 6.061 14.338 30.690 554 HA THR 68 HA THR 68 7.899 16.268 29.350 555 HB THR 68 HB THR 68 7.786 14.811 27.319 556 HG1 THR 68 HG1 THR 68 6.368 13.189 27.318 557 HG21 THR 68 HG21 THR 68 8.114 12.747 29.500 558 HG22 THR 68 HG22 THR 68 9.209 14.125 29.572 559 HG23 THR 68 HG23 THR 68 9.187 13.089 28.147 560 H TRP 69 HN TRP 69 4.868 15.985 30.426 561 HA TRP 69 HA TRP 69 3.876 18.002 28.609 562 HB2 TRP 69 HB2 TRP 69 1.926 16.170 27.990 563 HB3 TRP 69 HB1 TRP 69 3.331 16.456 26.964 564 HD1 TRP 69 HD1 TRP 69 3.739 14.630 30.332 565 HE1 TRP 69 HE1 TRP 69 4.540 12.296 29.764 566 HE3 TRP 69 HE3 TRP 69 3.007 14.872 25.493 567 HZ2 TRP 69 HZ2 TRP 69 4.695 10.597 27.234 568 HZ3 TRP 69 HZ3 TRP 69 3.398 12.994 23.966 569 HH2 TRP 69 HH2 TRP 69 4.254 10.859 24.832 570 H ARG 70 HN ARG 70 2.657 19.177 29.976 571 HA ARG 70 HA ARG 70 1.513 18.112 32.330 572 HB2 ARG 70 HB2 ARG 70 0.402 20.353 32.499 573 HB3 ARG 70 HB1 ARG 70 2.108 20.517 32.103 574 HG2 ARG 70 HG2 ARG 70 1.640 20.945 29.809 575 HG3 ARG 70 HG1 ARG 70 -0.014 20.376 29.955 576 HD2 ARG 70 HD2 ARG 70 -0.463 22.276 31.548 577 HD3 ARG 70 HD1 ARG 70 1.151 22.889 31.191 578 HE ARG 70 HE ARG 70 0.329 22.970 28.747 579 HH11 ARG 70 HH11 ARG 70 -2.356 21.808 29.711 580 HH12 ARG 70 HH12 ARG 70 -3.347 23.229 29.700 581 HH21 ARG 70 HH21 ARG 70 -0.595 25.391 29.487 582 HH22 ARG 70 HH22 ARG 70 -2.323 25.310 29.569 583 H LYS 71 HN LYS 71 -0.840 18.121 32.832 584 HA LYS 71 HA LYS 71 -2.341 16.458 31.187 585 HB2 LYS 71 HB2 LYS 71 -3.152 16.981 33.408 586 HB3 LYS 71 HB1 LYS 71 -3.233 18.701 33.051 587 HG2 LYS 71 HG2 LYS 71 -5.158 18.477 31.752 588 HG3 LYS 71 HG1 LYS 71 -4.819 16.795 31.360 589 HD2 LYS 71 HD2 LYS 71 -5.870 16.030 33.223 590 HD3 LYS 71 HD1 LYS 71 -5.163 17.277 34.240 591 HE2 LYS 71 HE2 LYS 71 -7.520 17.718 34.208 592 HE3 LYS 71 HE1 LYS 71 -6.793 18.915 33.145 593 HZ1 LYS 71 HZ1 LYS 71 -8.726 17.943 32.127 594 HZ2 LYS 71 HZ2 LYS 71 -8.082 16.382 32.300 595 HZ3 LYS 71 HZ3 LYS 71 -7.338 17.497 31.257 596 H LYS 72 HN LYS 72 -4.141 16.856 29.744 597 HA LYS 72 HA LYS 72 -3.554 18.591 27.610 598 HB2 LYS 72 HB2 LYS 72 -5.279 16.665 27.683 599 HB3 LYS 72 HB1 LYS 72 -6.389 17.804 28.437 600 HG2 LYS 72 HG2 LYS 72 -6.049 19.345 26.478 601 HG3 LYS 72 HG1 LYS 72 -5.075 18.096 25.713 602 HD2 LYS 72 HD2 LYS 72 -7.743 17.233 26.704 603 HD3 LYS 72 HD1 LYS 72 -7.752 18.328 25.325 604 HE2 LYS 72 HE2 LYS 72 -6.734 16.796 23.929 605 HE3 LYS 72 HE1 LYS 72 -5.805 16.068 25.235 606 HZ1 LYS 72 HZ1 LYS 72 -8.125 15.282 26.027 607 HZ2 LYS 72 HZ2 LYS 72 -7.328 14.447 24.780 608 HZ3 LYS 72 HZ3 LYS 72 -8.572 15.543 24.410 Start of MODEL 13 1 HA MET 1 HA MET 1 -2.601 -4.774 22.589 2 HB2 MET 1 HB2 MET 1 -1.681 -4.711 20.193 3 HB3 MET 1 HB1 MET 1 -3.258 -5.479 20.340 4 HG2 MET 1 HG2 MET 1 -4.228 -3.143 19.873 5 HG3 MET 1 HG1 MET 1 -2.620 -2.696 19.372 6 HE1 MET 1 HE1 MET 1 -5.893 -3.235 17.465 7 HE2 MET 1 HE2 MET 1 -4.750 -2.486 16.350 8 HE3 MET 1 HE3 MET 1 -4.789 -1.986 18.040 9 H ALA 2 HN ALA 2 -0.408 -4.089 22.486 10 HA ALA 2 HA ALA 2 0.231 -1.345 21.737 11 HB1 ALA 2 HB1 ALA 2 0.188 -2.163 24.687 12 HB2 ALA 2 HB2 ALA 2 -0.880 -0.980 23.939 13 HB3 ALA 2 HB3 ALA 2 0.845 -0.649 24.076 14 H LYS 3 HN LYS 3 1.675 -2.841 20.536 15 HA LYS 3 HA LYS 3 3.845 -4.027 22.162 16 HB2 LYS 3 HB2 LYS 3 2.906 -5.273 20.192 17 HB3 LYS 3 HB1 LYS 3 3.406 -3.961 19.133 18 HG2 LYS 3 HG2 LYS 3 5.150 -5.594 18.991 19 HG3 LYS 3 HG1 LYS 3 5.780 -4.327 20.036 20 HD2 LYS 3 HD2 LYS 3 6.082 -5.861 21.667 21 HD3 LYS 3 HD1 LYS 3 4.344 -6.131 21.708 22 HE2 LYS 3 HE2 LYS 3 5.796 -8.191 21.226 23 HE3 LYS 3 HE1 LYS 3 4.478 -7.894 20.101 24 HZ1 LYS 3 HZ1 LYS 3 6.817 -6.514 19.297 25 HZ2 LYS 3 HZ2 LYS 3 5.907 -7.672 18.450 26 HZ3 LYS 3 HZ3 LYS 3 7.146 -8.167 19.501 27 H LYS 4 HN LYS 4 5.997 -3.395 22.005 28 HA LYS 4 HA LYS 4 7.699 -1.780 21.924 29 HB2 LYS 4 HB2 LYS 4 6.363 -1.789 19.218 30 HB3 LYS 4 HB1 LYS 4 7.524 -0.507 19.543 31 HG2 LYS 4 HG2 LYS 4 9.308 -1.970 19.674 32 HG3 LYS 4 HG1 LYS 4 8.318 -3.289 20.288 33 HD2 LYS 4 HD2 LYS 4 7.268 -3.501 18.023 34 HD3 LYS 4 HD1 LYS 4 8.362 -2.256 17.432 35 HE2 LYS 4 HE2 LYS 4 9.011 -4.804 17.176 36 HE3 LYS 4 HE1 LYS 4 10.241 -3.627 17.615 37 HZ1 LYS 4 HZ1 LYS 4 8.691 -5.183 19.601 38 HZ2 LYS 4 HZ2 LYS 4 10.065 -4.224 19.881 39 HZ3 LYS 4 HZ3 LYS 4 10.202 -5.669 19.000 40 H ASP 5 HN ASP 5 6.803 -0.469 23.609 41 HA ASP 5 HA ASP 5 6.427 2.268 22.864 42 HB2 ASP 5 HB2 ASP 5 3.933 2.175 23.927 43 HB3 ASP 5 HB1 ASP 5 4.204 1.953 22.199 44 H VAL 6 HN VAL 6 6.476 3.635 24.607 45 HA VAL 6 HA VAL 6 7.345 2.444 27.125 46 HB VAL 6 HB VAL 6 8.140 4.675 26.005 47 HG11 VAL 6 HG11 VAL 6 5.627 5.380 25.823 48 HG12 VAL 6 HG12 VAL 6 6.815 6.607 26.257 49 HG13 VAL 6 HG13 VAL 6 5.814 5.872 27.504 50 HG21 VAL 6 HG21 VAL 6 8.622 5.684 28.162 51 HG22 VAL 6 HG22 VAL 6 8.697 3.939 28.350 52 HG23 VAL 6 HG23 VAL 6 7.285 4.826 28.912 53 H ILE 7 HN ILE 7 6.367 3.483 29.221 54 HA ILE 7 HA ILE 7 3.407 3.110 29.008 55 HB ILE 7 HB ILE 7 5.262 3.016 31.437 56 HG12 ILE 7 HG12 ILE 7 5.782 1.144 30.038 57 HG13 ILE 7 HG11 ILE 7 4.713 0.533 31.295 58 HG21 ILE 7 HG21 ILE 7 2.915 1.594 31.979 59 HG22 ILE 7 HG22 ILE 7 2.320 2.945 31.018 60 HG23 ILE 7 HG23 ILE 7 3.220 3.249 32.501 61 HD11 ILE 7 HD11 ILE 7 3.767 -0.361 29.329 62 HD12 ILE 7 HD12 ILE 7 4.086 1.100 28.399 63 HD13 ILE 7 HD13 ILE 7 2.797 1.085 29.601 64 H GLU 8 HN GLU 8 2.568 5.084 28.621 65 HA GLU 8 HA GLU 8 3.466 7.348 30.329 66 HB2 GLU 8 HB2 GLU 8 2.329 8.772 28.644 67 HB3 GLU 8 HB1 GLU 8 3.473 7.694 27.853 68 HG2 GLU 8 HG2 GLU 8 1.357 6.088 27.763 69 HG3 GLU 8 HG1 GLU 8 0.490 7.618 27.857 70 H LEU 9 HN LEU 9 2.308 7.782 32.045 71 HA LEU 9 HA LEU 9 -0.661 7.412 31.901 72 HB2 LEU 9 HB2 LEU 9 1.323 6.488 34.010 73 HB3 LEU 9 HB1 LEU 9 -0.347 6.815 34.454 74 HG LEU 9 HG LEU 9 0.309 5.038 32.101 75 HD11 LEU 9 HD11 LEU 9 0.099 4.270 35.031 76 HD12 LEU 9 HD12 LEU 9 1.504 4.064 33.990 77 HD13 LEU 9 HD13 LEU 9 0.049 3.116 33.702 78 HD21 LEU 9 HD21 LEU 9 -2.055 5.552 33.910 79 HD22 LEU 9 HD22 LEU 9 -1.936 4.054 32.995 80 HD23 LEU 9 HD23 LEU 9 -1.988 5.598 32.151 81 H GLU 10 HN GLU 10 -1.825 8.708 33.502 82 HA GLU 10 HA GLU 10 -0.528 11.346 33.747 83 HB2 GLU 10 HB2 GLU 10 -3.349 10.367 34.425 84 HB3 GLU 10 HB1 GLU 10 -2.834 12.046 34.524 85 HG2 GLU 10 HG2 GLU 10 -3.813 11.916 32.381 86 HG3 GLU 10 HG1 GLU 10 -2.096 11.725 32.040 87 H GLY 11 HN GLY 11 0.146 12.265 35.594 88 HA2 GLY 11 HA2 GLY 11 -0.639 11.023 38.175 89 HA3 GLY 11 HA1 GLY 11 1.081 11.058 37.786 90 H THR 12 HN THR 12 -0.227 12.405 39.981 91 HA THR 12 HA THR 12 0.021 15.253 39.128 92 HB THR 12 HB THR 12 -1.031 14.239 41.825 93 HG1 THR 12 HG1 THR 12 -2.261 13.256 40.283 94 HG21 THR 12 HG21 THR 12 -2.313 16.361 41.709 95 HG22 THR 12 HG22 THR 12 -1.759 16.650 40.062 96 HG23 THR 12 HG23 THR 12 -0.625 16.760 41.405 97 H VAL 13 HN VAL 13 1.728 16.394 39.699 98 HA VAL 13 HA VAL 13 3.947 15.203 41.039 99 HB VAL 13 HB VAL 13 3.308 18.179 40.932 100 HG11 VAL 13 HG21 VAL 13 5.472 16.714 42.016 101 HG12 VAL 13 HG22 VAL 13 5.416 18.451 41.724 102 HG13 VAL 13 HG23 VAL 13 6.064 17.374 40.494 103 HG21 VAL 13 HG11 VAL 13 4.649 16.402 38.881 104 HG22 VAL 13 HG12 VAL 13 4.485 18.151 38.770 105 HG23 VAL 13 HG13 VAL 13 3.053 17.130 38.716 106 H SER 14 HN SER 14 4.355 14.820 43.077 107 HA SER 14 HA SER 14 2.507 15.963 45.097 108 HB2 SER 14 HB2 SER 14 3.474 13.380 44.695 109 HB3 SER 14 HB1 SER 14 4.483 13.970 46.030 110 HG SER 14 HG SER 14 2.782 13.857 47.244 111 H GLU 15 HN GLU 15 6.018 15.696 44.450 112 HA GLU 15 HA GLU 15 6.371 18.046 46.233 113 HB2 GLU 15 HB2 GLU 15 7.291 15.250 46.859 114 HB3 GLU 15 HB1 GLU 15 8.427 16.542 47.214 115 HG2 GLU 15 HG2 GLU 15 7.291 16.973 49.128 116 HG3 GLU 15 HG1 GLU 15 5.874 17.401 48.179 117 H ALA 16 HN ALA 16 7.970 19.344 45.640 118 HA ALA 16 HA ALA 16 9.455 18.669 43.204 119 HB1 ALA 16 HB1 ALA 16 9.202 21.149 44.945 120 HB2 ALA 16 HB2 ALA 16 8.616 20.923 43.300 121 HB3 ALA 16 HB3 ALA 16 10.342 21.081 43.605 122 H LEU 17 HN LEU 17 11.267 17.543 43.326 123 HA LEU 17 HA LEU 17 12.975 17.826 45.734 124 HB2 LEU 17 HB2 LEU 17 13.157 15.833 43.427 125 HB3 LEU 17 HB1 LEU 17 14.034 15.735 44.946 126 HG LEU 17 HG LEU 17 11.028 15.655 44.649 127 HD11 LEU 17 HD21 LEU 17 12.572 13.414 45.829 128 HD12 LEU 17 HD22 LEU 17 12.755 13.639 44.094 129 HD13 LEU 17 HD23 LEU 17 11.159 13.365 44.780 130 HD21 LEU 17 HD11 LEU 17 12.893 15.716 46.998 131 HD22 LEU 17 HD12 LEU 17 11.330 14.919 47.128 132 HD23 LEU 17 HD13 LEU 17 11.412 16.634 46.741 133 HA PRO 18 HA PRO 18 15.958 20.288 43.714 134 HB2 PRO 18 HB2 PRO 18 18.240 18.761 44.672 135 HB3 PRO 18 HB1 PRO 18 17.636 20.297 45.293 136 HG2 PRO 18 HG2 PRO 18 17.374 17.651 46.489 137 HG3 PRO 18 HG1 PRO 18 16.864 19.200 47.161 138 HD2 PRO 18 HD1 PRO 18 15.176 17.140 46.134 139 HD3 PRO 18 HD2 PRO 18 14.682 18.763 46.645 140 H ASN 19 HN ASN 19 17.619 20.210 42.081 141 HA ASN 19 HA ASN 19 18.738 19.305 40.236 142 HB2 ASN 19 HB2 ASN 19 18.820 17.231 42.015 143 HB3 ASN 19 HB1 ASN 19 17.812 16.508 40.763 144 HD21 ASN 19 HD21 ASN 19 20.935 16.559 41.662 145 HD22 ASN 19 HD22 ASN 19 21.704 16.508 40.150 146 H ALA 20 HN ALA 20 15.876 20.042 40.337 147 HA ALA 20 HA ALA 20 14.025 20.004 38.912 148 HB1 ALA 20 HB1 ALA 20 16.068 20.367 37.324 149 HB2 ALA 20 HB2 ALA 20 14.567 19.819 36.584 150 HB3 ALA 20 HB3 ALA 20 15.868 18.673 36.891 151 H MET 21 HN MET 21 13.571 18.091 40.522 152 HA MET 21 HA MET 21 12.468 15.970 38.876 153 HB2 MET 21 HB2 MET 21 14.520 14.848 39.353 154 HB3 MET 21 HB1 MET 21 14.680 15.610 40.931 155 HG2 MET 21 HG2 MET 21 13.186 14.181 41.931 156 HG3 MET 21 HG1 MET 21 12.316 13.880 40.454 157 HE1 MET 21 HE1 MET 21 13.611 10.529 42.183 158 HE2 MET 21 HE2 MET 21 12.335 11.747 42.203 159 HE3 MET 21 HE3 MET 21 13.838 12.030 43.078 160 H PHE 22 HN PHE 22 10.761 14.896 39.986 161 HA PHE 22 HA PHE 22 10.132 15.870 42.694 162 HB2 PHE 22 HB2 PHE 22 7.683 15.922 41.144 163 HB3 PHE 22 HB1 PHE 22 8.439 17.241 42.001 164 HD1 PHE 22 HD1 PHE 22 8.571 15.397 38.759 165 HD2 PHE 22 HD2 PHE 22 9.459 19.007 40.840 166 HE1 PHE 22 HE1 PHE 22 8.960 16.549 36.626 167 HE2 PHE 22 HE2 PHE 22 9.837 20.146 38.707 168 HZ PHE 22 HZ PHE 22 9.542 18.932 36.609 169 H LYS 23 HN LYS 23 8.266 14.838 43.643 170 HA LYS 23 HA LYS 23 8.177 11.983 42.830 171 HB2 LYS 23 HB2 LYS 23 8.803 12.506 45.203 172 HB3 LYS 23 HB1 LYS 23 7.298 13.397 45.404 173 HG2 LYS 23 HG2 LYS 23 5.993 11.369 45.027 174 HG3 LYS 23 HG1 LYS 23 7.454 10.457 44.662 175 HD2 LYS 23 HD2 LYS 23 6.768 10.036 46.984 176 HD3 LYS 23 HD1 LYS 23 8.289 10.925 46.966 177 HE2 LYS 23 HE2 LYS 23 7.252 12.953 47.585 178 HE3 LYS 23 HE1 LYS 23 5.659 12.397 47.086 179 HZ1 LYS 23 HZ1 LYS 23 6.083 10.631 48.936 180 HZ2 LYS 23 HZ2 LYS 23 5.507 12.180 49.328 181 HZ3 LYS 23 HZ3 LYS 23 7.151 11.808 49.534 182 H VAL 24 HN VAL 24 6.503 11.476 41.574 183 HA VAL 24 HA VAL 24 4.060 13.147 41.718 184 HB VAL 24 HB VAL 24 4.983 10.970 39.806 185 HG11 VAL 24 HG11 VAL 24 2.992 11.916 38.437 186 HG12 VAL 24 HG12 VAL 24 2.417 12.540 39.974 187 HG13 VAL 24 HG13 VAL 24 2.619 10.808 39.754 188 HG21 VAL 24 HG21 VAL 24 6.113 13.238 39.736 189 HG22 VAL 24 HG22 VAL 24 4.544 13.928 39.329 190 HG23 VAL 24 HG23 VAL 24 5.311 12.777 38.240 191 H LYS 25 HN LYS 25 2.022 12.300 42.019 192 HA LYS 25 HA LYS 25 1.986 9.578 43.267 193 HB2 LYS 25 HB2 LYS 25 1.623 11.164 45.050 194 HB3 LYS 25 HB1 LYS 25 0.542 12.135 44.056 195 HG2 LYS 25 HG2 LYS 25 -1.246 10.732 44.390 196 HG3 LYS 25 HG1 LYS 25 -0.234 9.291 44.420 197 HD2 LYS 25 HD2 LYS 25 -0.048 11.298 46.658 198 HD3 LYS 25 HD1 LYS 25 -1.349 10.112 46.651 199 HE2 LYS 25 HE2 LYS 25 0.295 8.285 46.495 200 HE3 LYS 25 HE1 LYS 25 1.608 9.454 46.448 201 HZ1 LYS 25 HZ1 LYS 25 0.645 8.306 48.676 202 HZ2 LYS 25 HZ2 LYS 25 -0.179 9.790 48.676 203 HZ3 LYS 25 HZ3 LYS 25 1.519 9.761 48.635 204 H LEU 26 HN LEU 26 1.000 8.261 41.919 205 HA LEU 26 HA LEU 26 -0.870 9.146 39.939 206 HB2 LEU 26 HB2 LEU 26 -0.347 6.330 40.998 207 HB3 LEU 26 HB1 LEU 26 -1.069 6.740 39.447 208 HG LEU 26 HG LEU 26 1.116 8.090 39.027 209 HD11 LEU 26 HD21 LEU 26 2.966 6.554 40.311 210 HD12 LEU 26 HD22 LEU 26 1.721 6.650 41.549 211 HD13 LEU 26 HD23 LEU 26 2.430 8.123 40.902 212 HD21 LEU 26 HD11 LEU 26 0.456 5.972 37.878 213 HD22 LEU 26 HD12 LEU 26 1.238 5.061 39.165 214 HD23 LEU 26 HD13 LEU 26 2.197 6.093 38.109 215 H GLU 27 HN GLU 27 -3.053 8.285 39.749 216 HA GLU 27 HA GLU 27 -4.621 8.923 42.058 217 HB2 GLU 27 HB2 GLU 27 -6.354 7.501 40.479 218 HB3 GLU 27 HB1 GLU 27 -5.914 9.170 40.138 219 HG2 GLU 27 HG2 GLU 27 -4.250 8.504 38.544 220 HG3 GLU 27 HG1 GLU 27 -4.322 6.824 39.068 221 H ASN 28 HN ASN 28 -3.052 6.055 41.060 222 HA ASN 28 HA ASN 28 -4.781 4.126 42.284 223 HB2 ASN 28 HB2 ASN 28 -1.746 3.894 42.097 224 HB3 ASN 28 HB1 ASN 28 -2.939 2.604 41.988 225 HD21 ASN 28 HD21 ASN 28 -2.155 5.686 40.290 226 HD22 ASN 28 HD22 ASN 28 -2.478 5.080 38.738 227 H GLY 29 HN GLY 29 -2.693 6.481 43.598 228 HA2 GLY 29 HA2 GLY 29 -2.852 6.989 45.993 229 HA3 GLY 29 HA1 GLY 29 -3.074 5.273 46.303 230 H HIS 30 HN HIS 30 -0.767 5.260 44.031 231 HA HIS 30 HA HIS 30 1.395 5.220 46.099 232 HB2 HIS 30 HB2 HIS 30 1.675 4.172 43.273 233 HB3 HIS 30 HB1 HIS 30 2.459 3.598 44.745 234 HD1 HIS 30 HD1 HIS 30 -0.402 2.980 42.736 235 HD2 HIS 30 HD2 HIS 30 0.584 2.310 46.607 236 HE1 HIS 30 HE1 HIS 30 -2.024 1.367 43.515 237 H GLU 31 HN GLU 31 3.638 5.652 44.959 238 HA GLU 31 HA GLU 31 3.392 8.002 43.215 239 HB2 GLU 31 HB2 GLU 31 5.223 9.074 44.720 240 HB3 GLU 31 HB1 GLU 31 3.582 9.054 45.355 241 HG2 GLU 31 HG2 GLU 31 5.194 6.626 45.932 242 HG3 GLU 31 HG1 GLU 31 5.732 8.100 46.736 243 H ILE 32 HN ILE 32 5.333 8.678 42.169 244 HA ILE 32 HA ILE 32 7.474 6.631 42.135 245 HB ILE 32 HB ILE 32 5.926 7.607 39.764 246 HG12 ILE 32 HG12 ILE 32 6.419 4.762 40.621 247 HG13 ILE 32 HG11 ILE 32 5.039 5.678 41.202 248 HG21 ILE 32 HG21 ILE 32 8.213 7.498 39.030 249 HG22 ILE 32 HG22 ILE 32 7.542 5.938 38.568 250 HG23 ILE 32 HG23 ILE 32 8.531 6.076 40.018 251 HD11 ILE 32 HD11 ILE 32 4.054 4.782 39.327 252 HD12 ILE 32 HD12 ILE 32 5.586 4.620 38.475 253 HD13 ILE 32 HD13 ILE 32 4.790 6.187 38.565 254 H LEU 33 HN LEU 33 9.359 7.377 40.794 255 HA LEU 33 HA LEU 33 9.811 10.211 41.419 256 HB2 LEU 33 HB2 LEU 33 11.601 7.914 40.517 257 HB3 LEU 33 HB1 LEU 33 12.200 9.561 40.665 258 HG LEU 33 HG LEU 33 11.783 9.610 43.025 259 HD11 LEU 33 HD21 LEU 33 10.183 7.084 42.508 260 HD12 LEU 33 HD22 LEU 33 9.592 8.616 43.149 261 HD13 LEU 33 HD23 LEU 33 10.650 7.601 44.124 262 HD21 LEU 33 HD11 LEU 33 13.714 8.152 42.179 263 HD22 LEU 33 HD12 LEU 33 12.679 6.764 42.498 264 HD23 LEU 33 HD13 LEU 33 13.169 7.819 43.819 265 H CYS 34 HN CYS 34 10.106 11.794 39.896 266 HA CYS 34 HA CYS 34 10.258 10.936 37.049 267 HB2 CYS 34 HB2 CYS 34 8.377 13.138 37.922 268 HB3 CYS 34 HB1 CYS 34 8.394 12.276 36.407 269 HG CYS 34 HG1 CYS 34 7.464 10.182 37.955 270 H HIS 35 HN HIS 35 11.580 12.143 35.883 271 HA HIS 35 HA HIS 35 12.653 14.632 37.157 272 HB2 HIS 35 HB2 HIS 35 14.319 12.834 36.696 273 HB3 HIS 35 HB1 HIS 35 13.823 12.788 35.008 274 HD1 HIS 35 HD1 HIS 35 14.867 14.515 33.587 275 HD2 HIS 35 HD2 HIS 35 15.606 15.323 37.487 276 HE1 HIS 35 HE1 HIS 35 16.467 16.330 33.544 277 H ILE 36 HN ILE 36 13.587 16.146 35.364 278 HA ILE 36 HA ILE 36 11.352 16.677 33.490 279 HB ILE 36 HB ILE 36 13.503 18.360 34.795 280 HG12 ILE 36 HG12 ILE 36 10.556 18.919 34.558 281 HG13 ILE 36 HG11 ILE 36 11.173 17.797 35.768 282 HG21 ILE 36 HG21 ILE 36 12.513 20.271 33.391 283 HG22 ILE 36 HG22 ILE 36 11.712 19.050 32.415 284 HG23 ILE 36 HG23 ILE 36 13.468 19.120 32.463 285 HD11 ILE 36 HD11 ILE 36 12.118 19.469 37.016 286 HD12 ILE 36 HD12 ILE 36 10.997 20.512 36.144 287 HD13 ILE 36 HD13 ILE 36 12.662 20.352 35.592 288 H SER 37 HN SER 37 11.944 17.745 31.436 289 HA SER 37 HA SER 37 14.449 16.631 30.295 290 HB2 SER 37 HB2 SER 37 12.576 16.985 28.193 291 HB3 SER 37 HB1 SER 37 13.024 15.431 28.924 292 HG SER 37 HG SER 37 10.772 16.932 29.263 293 H GLY 38 HN GLY 38 15.758 18.298 29.980 294 HA2 GLY 38 HA2 GLY 38 15.265 21.005 29.894 295 HA3 GLY 38 HA1 GLY 38 16.540 20.272 28.926 296 H LYS 39 HN LYS 39 14.484 18.703 27.425 297 HA LYS 39 HA LYS 39 14.114 20.614 25.323 298 HB2 LYS 39 HB2 LYS 39 13.451 17.738 25.817 299 HB3 LYS 39 HB1 LYS 39 12.472 18.557 24.605 300 HG2 LYS 39 HG2 LYS 39 15.476 18.829 24.572 301 HG3 LYS 39 HG1 LYS 39 14.708 17.419 23.852 302 HD2 LYS 39 HD2 LYS 39 14.026 20.297 23.154 303 HD3 LYS 39 HD1 LYS 39 15.077 19.260 22.196 304 HE2 LYS 39 HE2 LYS 39 12.118 19.173 22.527 305 HE3 LYS 39 HE1 LYS 39 13.097 18.804 21.115 306 HZ1 LYS 39 HZ1 LYS 39 12.977 17.072 23.513 307 HZ2 LYS 39 HZ2 LYS 39 13.671 16.705 22.007 308 HZ3 LYS 39 HZ3 LYS 39 11.986 16.860 22.150 309 H LEU 40 HN LEU 40 11.717 18.894 27.356 310 HA LEU 40 HA LEU 40 9.483 20.279 26.376 311 HB2 LEU 40 HB2 LEU 40 8.364 19.234 28.141 312 HB3 LEU 40 HB1 LEU 40 9.885 18.382 28.343 313 HG LEU 40 HG LEU 40 10.553 20.434 29.819 314 HD11 LEU 40 HD11 LEU 40 7.835 20.690 30.784 315 HD12 LEU 40 HD12 LEU 40 7.893 21.129 29.080 316 HD13 LEU 40 HD13 LEU 40 8.923 21.963 30.239 317 HD21 LEU 40 HD21 LEU 40 10.181 18.090 30.618 318 HD22 LEU 40 HD22 LEU 40 8.465 18.454 30.789 319 HD23 LEU 40 HD23 LEU 40 9.640 19.290 31.788 320 H ARG 41 HN ARG 41 12.112 21.356 28.277 321 HA ARG 41 HA ARG 41 10.817 23.620 29.465 322 HB2 ARG 41 HB2 ARG 41 13.286 22.451 29.746 323 HB3 ARG 41 HB1 ARG 41 13.709 23.793 28.688 324 HG2 ARG 41 HG2 ARG 41 12.398 25.282 30.303 325 HG3 ARG 41 HG1 ARG 41 12.404 23.913 31.407 326 HD2 ARG 41 HD2 ARG 41 14.983 24.865 30.157 327 HD3 ARG 41 HD1 ARG 41 14.345 25.667 31.590 328 HE ARG 41 HE ARG 41 15.754 23.237 31.672 329 HH11 ARG 41 HH11 ARG 41 13.592 25.104 33.350 330 HH12 ARG 41 HH12 ARG 41 13.009 23.853 34.397 331 HH21 ARG 41 HH21 ARG 41 14.677 21.327 32.627 332 HH22 ARG 41 HH22 ARG 41 13.642 21.654 33.976 333 H MET 42 HN MET 42 12.792 23.105 26.579 334 HA MET 42 HA MET 42 12.791 25.728 25.587 335 HB2 MET 42 HB2 MET 42 13.746 23.363 24.654 336 HB3 MET 42 HB1 MET 42 12.302 23.464 23.653 337 HG2 MET 42 HG2 MET 42 14.263 25.740 23.937 338 HG3 MET 42 HG1 MET 42 14.445 24.508 22.718 339 HE1 MET 42 HE1 MET 42 14.280 27.741 22.652 340 HE2 MET 42 HE2 MET 42 12.930 27.776 23.788 341 HE3 MET 42 HE3 MET 42 12.725 28.407 22.153 342 H ASN 43 HN ASN 43 10.257 23.288 25.588 343 HA ASN 43 HA ASN 43 8.539 24.836 23.778 344 HB2 ASN 43 HB2 ASN 43 8.572 22.224 24.376 345 HB3 ASN 43 HB1 ASN 43 7.492 22.721 25.676 346 HD21 ASN 43 HD21 ASN 43 5.470 22.041 24.896 347 HD22 ASN 43 HD22 ASN 43 4.813 22.518 23.403 348 H PHE 44 HN PHE 44 9.599 25.894 26.442 349 HA PHE 44 HA PHE 44 8.793 27.045 28.337 350 HB2 PHE 44 HB2 PHE 44 6.944 28.711 27.561 351 HB3 PHE 44 HB1 PHE 44 8.466 28.764 26.681 352 HD1 PHE 44 HD1 PHE 44 4.913 28.144 26.447 353 HD2 PHE 44 HD2 PHE 44 8.631 27.513 24.461 354 HE1 PHE 44 HE1 PHE 44 3.723 27.693 24.350 355 HE2 PHE 44 HE2 PHE 44 7.430 27.068 22.366 356 HZ PHE 44 HZ PHE 44 4.977 27.158 22.311 357 H ILE 45 HN ILE 45 7.998 25.327 29.591 358 HA ILE 45 HA ILE 45 5.052 25.318 29.809 359 HB ILE 45 HB ILE 45 6.780 22.814 29.903 360 HG12 ILE 45 HG12 ILE 45 5.125 24.029 27.685 361 HG13 ILE 45 HG11 ILE 45 6.802 23.498 27.627 362 HG21 ILE 45 HG21 ILE 45 4.504 22.990 31.172 363 HG22 ILE 45 HG22 ILE 45 4.677 21.635 30.059 364 HG23 ILE 45 HG23 ILE 45 3.756 23.059 29.580 365 HD11 ILE 45 HD11 ILE 45 4.301 21.807 27.742 366 HD12 ILE 45 HD12 ILE 45 5.863 21.149 28.216 367 HD13 ILE 45 HD13 ILE 45 5.617 21.735 26.574 368 H ARG 46 HN ARG 46 5.316 26.571 31.683 369 HA ARG 46 HA ARG 46 6.967 25.588 33.863 370 HB2 ARG 46 HB2 ARG 46 5.078 27.517 34.814 371 HB3 ARG 46 HB1 ARG 46 6.770 27.796 34.416 372 HG2 ARG 46 HG2 ARG 46 6.180 28.214 32.074 373 HG3 ARG 46 HG1 ARG 46 4.495 27.846 32.411 374 HD2 ARG 46 HD2 ARG 46 4.491 30.182 32.569 375 HD3 ARG 46 HD1 ARG 46 4.756 29.726 34.250 376 HE ARG 46 HE ARG 46 7.320 29.934 33.220 377 HH11 ARG 46 HH11 ARG 46 7.128 31.902 31.394 378 HH12 ARG 46 HH12 ARG 46 6.858 33.397 32.227 379 HH21 ARG 46 HH21 ARG 46 5.832 31.805 35.176 380 HH22 ARG 46 HH22 ARG 46 6.105 33.341 34.423 381 H ILE 47 HN ILE 47 6.392 24.225 35.400 382 HA ILE 47 HA ILE 47 3.484 23.784 35.938 383 HB ILE 47 HB ILE 47 5.669 21.662 35.685 384 HG12 ILE 47 HG12 ILE 47 3.194 22.139 33.993 385 HG13 ILE 47 HG11 ILE 47 4.824 22.611 33.527 386 HG21 ILE 47 HG21 ILE 47 3.917 21.181 37.431 387 HG22 ILE 47 HG22 ILE 47 3.779 20.075 36.067 388 HG23 ILE 47 HG23 ILE 47 2.664 21.427 36.221 389 HD11 ILE 47 HD11 ILE 47 4.894 20.524 32.586 390 HD12 ILE 47 HD12 ILE 47 3.590 19.918 33.602 391 HD13 ILE 47 HD13 ILE 47 5.231 20.000 34.233 392 H LEU 48 HN LEU 48 2.982 23.903 38.025 393 HA LEU 48 HA LEU 48 5.221 23.816 40.016 394 HB2 LEU 48 HB2 LEU 48 2.462 25.133 40.078 395 HB3 LEU 48 HB1 LEU 48 3.541 25.083 41.468 396 HG LEU 48 HG LEU 48 4.398 26.199 38.785 397 HD11 LEU 48 HD11 LEU 48 3.939 28.429 39.727 398 HD12 LEU 48 HD12 LEU 48 3.317 27.693 41.201 399 HD13 LEU 48 HD13 LEU 48 2.456 27.482 39.679 400 HD21 LEU 48 HD21 LEU 48 6.326 25.798 40.043 401 HD22 LEU 48 HD22 LEU 48 5.503 26.070 41.575 402 HD23 LEU 48 HD23 LEU 48 5.933 27.436 40.552 403 H GLU 49 HN GLU 49 4.940 22.676 41.956 404 HA GLU 49 HA GLU 49 3.985 20.160 41.941 405 HB2 GLU 49 HB2 GLU 49 5.141 21.596 43.846 406 HB3 GLU 49 HB1 GLU 49 3.495 21.834 44.418 407 HG2 GLU 49 HG2 GLU 49 4.066 19.033 43.758 408 HG3 GLU 49 HG1 GLU 49 5.108 19.663 45.025 409 H GLY 50 HN GLY 50 2.114 19.050 42.603 410 HA2 GLY 50 HA2 GLY 50 -0.208 18.816 43.051 411 HA3 GLY 50 HA1 GLY 50 -0.341 20.572 43.135 412 H ASP 51 HN ASP 51 1.284 20.348 40.443 413 HA ASP 51 HA ASP 51 -1.112 20.550 38.788 414 HB2 ASP 51 HB2 ASP 51 1.873 20.817 38.227 415 HB3 ASP 51 HB1 ASP 51 0.660 20.965 36.960 416 H LYS 52 HN LYS 52 -1.877 19.033 37.428 417 HA LYS 52 HA LYS 52 -0.732 16.419 37.565 418 HB2 LYS 52 HB2 LYS 52 -3.139 17.612 36.176 419 HB3 LYS 52 HB1 LYS 52 -2.649 15.954 35.840 420 HG2 LYS 52 HG2 LYS 52 -2.738 15.489 38.313 421 HG3 LYS 52 HG1 LYS 52 -3.377 17.111 38.556 422 HD2 LYS 52 HD2 LYS 52 -5.298 16.584 37.095 423 HD3 LYS 52 HD1 LYS 52 -4.651 14.971 36.818 424 HE2 LYS 52 HE2 LYS 52 -6.326 14.793 38.558 425 HE3 LYS 52 HE1 LYS 52 -4.753 14.584 39.314 426 HZ1 LYS 52 HZ1 LYS 52 -4.805 16.925 39.952 427 HZ2 LYS 52 HZ2 LYS 52 -6.113 16.063 40.607 428 HZ3 LYS 52 HZ3 LYS 52 -6.353 17.082 39.270 429 H VAL 53 HN VAL 53 0.204 15.236 36.067 430 HA VAL 53 HA VAL 53 0.728 16.495 33.420 431 HB VAL 53 HB VAL 53 3.171 16.124 33.814 432 HG11 VAL 53 HG21 VAL 53 3.495 18.040 35.216 433 HG12 VAL 53 HG22 VAL 53 1.961 17.762 36.032 434 HG13 VAL 53 HG23 VAL 53 1.983 18.297 34.354 435 HG21 VAL 53 HG11 VAL 53 3.858 15.722 36.213 436 HG22 VAL 53 HG12 VAL 53 3.092 14.339 35.441 437 HG23 VAL 53 HG13 VAL 53 2.174 15.345 36.555 438 H ASN 54 HN ASN 54 2.060 14.972 32.016 439 HA ASN 54 HA ASN 54 0.984 12.237 32.452 440 HB2 ASN 54 HB2 ASN 54 2.319 13.609 30.071 441 HB3 ASN 54 HB1 ASN 54 1.952 11.895 30.075 442 HD21 ASN 54 HD21 ASN 54 0.559 12.874 28.141 443 HD22 ASN 54 HD22 ASN 54 -1.030 13.312 28.546 444 H VAL 55 HN VAL 55 2.217 10.728 33.284 445 HA VAL 55 HA VAL 55 5.120 11.251 33.518 446 HB VAL 55 HB VAL 55 3.340 9.244 34.960 447 HG11 VAL 55 HG11 VAL 55 6.153 10.236 35.540 448 HG12 VAL 55 HG12 VAL 55 5.740 8.635 34.933 449 HG13 VAL 55 HG13 VAL 55 5.238 9.120 36.551 450 HG21 VAL 55 HG21 VAL 55 3.188 11.949 35.201 451 HG22 VAL 55 HG22 VAL 55 4.455 11.597 36.374 452 HG23 VAL 55 HG23 VAL 55 2.874 10.838 36.530 453 H GLU 56 HN GLU 56 6.405 10.252 32.190 454 HA GLU 56 HA GLU 56 5.512 7.797 30.813 455 HB2 GLU 56 HB2 GLU 56 6.620 9.633 29.519 456 HB3 GLU 56 HB1 GLU 56 8.041 9.501 30.544 457 HG2 GLU 56 HG2 GLU 56 8.273 7.104 29.814 458 HG3 GLU 56 HG1 GLU 56 6.949 7.368 28.681 459 H LEU 57 HN LEU 57 5.878 5.932 31.848 460 HA LEU 57 HA LEU 57 8.247 5.777 33.662 461 HB2 LEU 57 HB2 LEU 57 5.885 3.859 33.357 462 HB3 LEU 57 HB1 LEU 57 7.107 3.803 34.619 463 HG LEU 57 HG LEU 57 5.547 6.338 34.225 464 HD11 LEU 57 HD11 LEU 57 3.823 5.480 35.784 465 HD12 LEU 57 HD12 LEU 57 4.589 3.895 35.759 466 HD13 LEU 57 HD13 LEU 57 3.848 4.538 34.297 467 HD21 LEU 57 HD21 LEU 57 5.920 6.446 36.690 468 HD22 LEU 57 HD22 LEU 57 7.433 6.288 35.805 469 HD23 LEU 57 HD23 LEU 57 6.737 4.889 36.617 470 H SER 58 HN SER 58 9.724 4.117 33.528 471 HA SER 58 HA SER 58 10.088 3.092 30.805 472 HB2 SER 58 HB2 SER 58 11.689 2.693 33.383 473 HB3 SER 58 HB1 SER 58 12.238 2.200 31.769 474 HG SER 58 HG SER 58 11.492 4.813 32.606 475 HA PRO 59 HA PRO 59 7.809 -0.665 31.752 476 HB2 PRO 59 HB2 PRO 59 8.940 -1.922 29.374 477 HB3 PRO 59 HB1 PRO 59 7.290 -1.345 29.614 478 HG2 PRO 59 HG2 PRO 59 9.351 -0.132 27.995 479 HG3 PRO 59 HG1 PRO 59 7.718 0.475 28.277 480 HD2 PRO 59 HD1 PRO 59 10.206 1.510 29.331 481 HD3 PRO 59 HD2 PRO 59 8.566 2.137 29.595 482 H TYR 60 HN TYR 60 11.190 -0.324 31.325 483 HA TYR 60 HA TYR 60 11.691 -3.030 32.316 484 HB2 TYR 60 HB2 TYR 60 14.166 -1.903 31.727 485 HB3 TYR 60 HB1 TYR 60 13.257 -2.935 30.628 486 HD1 TYR 60 HD1 TYR 60 14.369 0.451 31.316 487 HD2 TYR 60 HD2 TYR 60 11.728 -1.881 28.933 488 HE1 TYR 60 HE1 TYR 60 14.118 2.327 29.759 489 HE2 TYR 60 HE2 TYR 60 11.465 0.000 27.382 490 HH TYR 60 HH TYR 60 12.018 2.971 27.978 491 H ASP 61 HN ASP 61 11.474 0.154 33.190 492 HA ASP 61 HA ASP 61 12.806 -0.435 35.751 493 HB2 ASP 61 HB2 ASP 61 13.561 1.617 33.735 494 HB3 ASP 61 HB1 ASP 61 13.394 2.258 35.366 495 H LEU 62 HN LEU 62 10.551 -0.723 36.336 496 HA LEU 62 HA LEU 62 8.729 1.527 36.239 497 HB2 LEU 62 HB2 LEU 62 8.727 -1.134 37.732 498 HB3 LEU 62 HB1 LEU 62 7.419 0.032 37.898 499 HG LEU 62 HG LEU 62 8.344 -0.933 35.185 500 HD11 LEU 62 HD21 LEU 62 7.701 -2.968 36.233 501 HD12 LEU 62 HD22 LEU 62 6.244 -2.441 35.397 502 HD13 LEU 62 HD23 LEU 62 6.403 -2.191 37.133 503 HD21 LEU 62 HD11 LEU 62 5.782 -0.366 34.851 504 HD22 LEU 62 HD12 LEU 62 6.965 0.937 34.895 505 HD23 LEU 62 HD13 LEU 62 6.001 0.574 36.322 506 H THR 63 HN THR 63 11.344 1.861 37.475 507 HA THR 63 HA THR 63 10.570 2.456 40.292 508 HB THR 63 HB THR 63 13.224 3.008 40.254 509 HG1 THR 63 HG1 THR 63 13.851 2.672 38.269 510 HG21 THR 63 HG21 THR 63 12.469 1.030 41.506 511 HG22 THR 63 HG22 THR 63 13.647 0.429 40.344 512 HG23 THR 63 HG23 THR 63 11.924 0.239 40.031 513 H ARG 64 HN ARG 64 11.556 3.953 37.284 514 HA ARG 64 HA ARG 64 10.956 6.613 38.516 515 HB2 ARG 64 HB2 ARG 64 13.455 5.706 37.058 516 HB3 ARG 64 HB1 ARG 64 12.945 7.382 36.928 517 HG2 ARG 64 HG2 ARG 64 13.438 7.847 39.119 518 HG3 ARG 64 HG1 ARG 64 12.946 6.251 39.671 519 HD2 ARG 64 HD2 ARG 64 15.331 6.337 39.945 520 HD3 ARG 64 HD1 ARG 64 15.048 5.347 38.514 521 HE ARG 64 HE ARG 64 15.772 7.225 37.137 522 HH11 ARG 64 HH11 ARG 64 17.770 8.373 37.193 523 HH12 ARG 64 HH12 ARG 64 18.073 9.408 38.548 524 HH21 ARG 64 HH21 ARG 64 15.304 8.219 40.335 525 HH22 ARG 64 HH22 ARG 64 16.639 9.322 40.372 526 H GLY 65 HN GLY 65 10.535 8.266 37.007 527 HA2 GLY 65 HA2 GLY 65 9.861 7.438 34.240 528 HA3 GLY 65 HA1 GLY 65 8.565 8.086 35.247 529 H ARG 66 HN ARG 66 8.425 9.860 33.687 530 HA ARG 66 HA ARG 66 10.088 12.094 34.571 531 HB2 ARG 66 HB2 ARG 66 10.966 12.559 32.230 532 HB3 ARG 66 HB1 ARG 66 11.649 11.115 32.970 533 HG2 ARG 66 HG2 ARG 66 9.815 9.792 31.804 534 HG3 ARG 66 HG1 ARG 66 9.432 11.260 30.911 535 HD2 ARG 66 HD2 ARG 66 10.964 10.225 29.468 536 HD3 ARG 66 HD1 ARG 66 12.022 11.282 30.400 537 HE ARG 66 HE ARG 66 13.084 9.298 31.081 538 HH11 ARG 66 HH11 ARG 66 10.846 7.968 29.275 539 HH12 ARG 66 HH12 ARG 66 10.346 6.699 30.343 540 HH21 ARG 66 HH21 ARG 66 11.992 8.100 33.102 541 HH22 ARG 66 HH22 ARG 66 11.009 6.778 32.567 542 H ILE 67 HN ILE 67 9.190 14.024 34.203 543 HA ILE 67 HA ILE 67 6.496 14.035 32.953 544 HB ILE 67 HB ILE 67 8.032 16.283 34.354 545 HG12 ILE 67 HG12 ILE 67 7.865 14.357 35.863 546 HG13 ILE 67 HG11 ILE 67 6.783 15.637 36.394 547 HG21 ILE 67 HG21 ILE 67 5.288 15.883 33.256 548 HG22 ILE 67 HG22 ILE 67 6.168 17.382 33.525 549 HG23 ILE 67 HG23 ILE 67 5.332 16.602 34.859 550 HD11 ILE 67 HD11 ILE 67 5.200 13.996 36.420 551 HD12 ILE 67 HD12 ILE 67 6.145 12.942 35.376 552 HD13 ILE 67 HD13 ILE 67 5.162 14.223 34.679 553 H THR 68 HN THR 68 6.568 14.325 30.812 554 HA THR 68 HA THR 68 8.240 16.567 29.762 555 HB THR 68 HB THR 68 8.447 15.108 27.640 556 HG1 THR 68 HG1 THR 68 7.110 13.490 29.519 557 HG21 THR 68 HG21 THR 68 10.465 14.546 28.643 558 HG22 THR 68 HG22 THR 68 9.631 13.206 29.424 559 HG23 THR 68 HG23 THR 68 9.763 14.758 30.244 560 H TRP 69 HN TRP 69 5.154 15.779 30.348 561 HA TRP 69 HA TRP 69 4.239 17.573 28.233 562 HB2 TRP 69 HB2 TRP 69 2.562 15.376 27.747 563 HB3 TRP 69 HB1 TRP 69 3.907 15.872 26.725 564 HD1 TRP 69 HD1 TRP 69 4.355 14.288 30.242 565 HE1 TRP 69 HE1 TRP 69 5.657 12.146 29.882 566 HE3 TRP 69 HE3 TRP 69 4.324 14.288 25.309 567 HZ2 TRP 69 HZ2 TRP 69 6.580 10.519 27.519 568 HZ3 TRP 69 HZ3 TRP 69 5.359 12.515 23.964 569 HH2 TRP 69 HH2 TRP 69 6.489 10.633 25.067 570 H ARG 70 HN ARG 70 2.742 18.765 29.215 571 HA ARG 70 HA ARG 70 1.358 17.852 31.539 572 HB2 ARG 70 HB2 ARG 70 0.255 20.086 31.426 573 HB3 ARG 70 HB1 ARG 70 1.990 20.252 31.177 574 HG2 ARG 70 HG2 ARG 70 1.628 20.228 28.725 575 HG3 ARG 70 HG1 ARG 70 -0.105 20.096 28.989 576 HD2 ARG 70 HD2 ARG 70 0.873 22.285 30.568 577 HD3 ARG 70 HD1 ARG 70 1.480 22.475 28.924 578 HE ARG 70 HE ARG 70 -1.343 22.575 29.742 579 HH11 ARG 70 HH11 ARG 70 0.703 21.516 27.251 580 HH12 ARG 70 HH12 ARG 70 -0.201 22.247 25.968 581 HH21 ARG 70 HH21 ARG 70 -2.417 23.839 28.170 582 HH22 ARG 70 HH22 ARG 70 -2.014 23.601 26.502 583 H LYS 71 HN LYS 71 -0.935 17.539 31.727 584 HA LYS 71 HA LYS 71 -2.068 16.271 29.367 585 HB2 LYS 71 HB2 LYS 71 -2.368 15.506 31.811 586 HB3 LYS 71 HB1 LYS 71 -3.476 16.860 32.003 587 HG2 LYS 71 HG2 LYS 71 -4.942 15.139 31.389 588 HG3 LYS 71 HG1 LYS 71 -4.606 15.887 29.832 589 HD2 LYS 71 HD2 LYS 71 -2.835 14.212 29.409 590 HD3 LYS 71 HD1 LYS 71 -3.168 13.464 30.966 591 HE2 LYS 71 HE2 LYS 71 -5.414 12.870 30.274 592 HE3 LYS 71 HE1 LYS 71 -5.254 13.802 28.791 593 HZ1 LYS 71 HZ1 LYS 71 -4.815 11.703 28.059 594 HZ2 LYS 71 HZ2 LYS 71 -4.056 11.223 29.500 595 HZ3 LYS 71 HZ3 LYS 71 -3.240 12.236 28.408 596 H LYS 72 HN LYS 72 -3.928 16.868 28.260 597 HA LYS 72 HA LYS 72 -5.454 18.351 27.287 598 HB2 LYS 72 HB2 LYS 72 -5.896 18.528 29.966 599 HB3 LYS 72 HB1 LYS 72 -5.354 20.176 29.674 600 HG2 LYS 72 HG2 LYS 72 -7.044 19.995 27.619 601 HG3 LYS 72 HG1 LYS 72 -7.787 18.767 28.637 602 HD2 LYS 72 HD2 LYS 72 -8.048 20.344 30.461 603 HD3 LYS 72 HD1 LYS 72 -7.108 21.562 29.604 604 HE2 LYS 72 HE2 LYS 72 -9.645 21.842 29.482 605 HE3 LYS 72 HE1 LYS 72 -8.807 21.832 27.935 606 HZ1 LYS 72 HZ1 LYS 72 -10.827 20.433 28.011 607 HZ2 LYS 72 HZ2 LYS 72 -10.057 19.435 29.149 608 HZ3 LYS 72 HZ3 LYS 72 -9.421 19.580 27.581 Start of MODEL 14 1 HA MET 1 HA MET 1 2.826 -2.348 17.051 2 HB2 MET 1 HB2 MET 1 1.667 -1.525 14.970 3 HB3 MET 1 HB1 MET 1 2.431 0.047 15.182 4 HG2 MET 1 HG2 MET 1 4.246 -2.283 15.259 5 HG3 MET 1 HG1 MET 1 3.479 -2.002 13.718 6 HE1 MET 1 HE1 MET 1 3.096 0.486 13.115 7 HE2 MET 1 HE2 MET 1 4.362 0.063 11.962 8 HE3 MET 1 HE3 MET 1 4.465 1.571 12.869 9 H ALA 2 HN ALA 2 3.445 1.028 16.208 10 HA ALA 2 HA ALA 2 6.051 0.832 17.552 11 HB1 ALA 2 HB1 ALA 2 6.404 3.101 16.561 12 HB2 ALA 2 HB2 ALA 2 4.713 3.157 16.073 13 HB3 ALA 2 HB3 ALA 2 5.804 1.986 15.337 14 H LYS 3 HN LYS 3 2.918 1.873 18.330 15 HA LYS 3 HA LYS 3 3.870 3.793 20.373 16 HB2 LYS 3 HB2 LYS 3 1.028 2.839 19.765 17 HB3 LYS 3 HB1 LYS 3 1.479 4.265 20.694 18 HG2 LYS 3 HG2 LYS 3 1.725 5.502 18.814 19 HG3 LYS 3 HG1 LYS 3 2.754 4.279 18.075 20 HD2 LYS 3 HD2 LYS 3 0.666 2.961 17.539 21 HD3 LYS 3 HD1 LYS 3 -0.280 4.333 18.106 22 HE2 LYS 3 HE2 LYS 3 0.646 5.771 16.401 23 HE3 LYS 3 HE1 LYS 3 1.832 4.557 15.943 24 HZ1 LYS 3 HZ1 LYS 3 -0.764 4.900 14.971 25 HZ2 LYS 3 HZ2 LYS 3 -0.705 3.403 15.770 26 HZ3 LYS 3 HZ3 LYS 3 0.388 3.738 14.514 27 H LYS 4 HN LYS 4 4.653 1.076 20.706 28 HA LYS 4 HA LYS 4 3.383 0.600 23.345 29 HB2 LYS 4 HB2 LYS 4 2.377 -0.847 21.375 30 HB3 LYS 4 HB1 LYS 4 3.888 -1.741 21.468 31 HG2 LYS 4 HG2 LYS 4 2.181 -1.203 23.911 32 HG3 LYS 4 HG1 LYS 4 1.950 -2.628 22.906 33 HD2 LYS 4 HD2 LYS 4 4.469 -3.059 23.220 34 HD3 LYS 4 HD1 LYS 4 4.402 -1.853 24.499 35 HE2 LYS 4 HE2 LYS 4 3.167 -4.575 24.394 36 HE3 LYS 4 HE1 LYS 4 3.949 -3.757 25.740 37 HZ1 LYS 4 HZ1 LYS 4 1.234 -3.286 24.665 38 HZ2 LYS 4 HZ2 LYS 4 1.991 -2.222 25.751 39 HZ3 LYS 4 HZ3 LYS 4 1.664 -3.823 26.218 40 H ASP 5 HN ASP 5 5.462 1.508 23.955 41 HA ASP 5 HA ASP 5 7.421 -0.651 24.365 42 HB2 ASP 5 HB2 ASP 5 9.304 0.764 23.480 43 HB3 ASP 5 HB1 ASP 5 8.140 0.396 22.210 44 H VAL 6 HN VAL 6 5.592 1.250 25.828 45 HA VAL 6 HA VAL 6 7.291 1.665 28.112 46 HB VAL 6 HB VAL 6 7.901 3.579 26.406 47 HG11 VAL 6 HG11 VAL 6 6.358 5.415 26.260 48 HG12 VAL 6 HG12 VAL 6 5.316 4.722 27.498 49 HG13 VAL 6 HG13 VAL 6 5.420 3.967 25.911 50 HG21 VAL 6 HG21 VAL 6 8.220 5.154 28.211 51 HG22 VAL 6 HG22 VAL 6 8.399 3.545 28.896 52 HG23 VAL 6 HG23 VAL 6 6.904 4.439 29.137 53 H ILE 7 HN ILE 7 6.106 2.957 29.830 54 HA ILE 7 HA ILE 7 3.156 2.511 29.487 55 HB ILE 7 HB ILE 7 4.741 2.601 32.096 56 HG12 ILE 7 HG12 ILE 7 4.153 0.324 30.210 57 HG13 ILE 7 HG11 ILE 7 5.658 0.717 31.033 58 HG21 ILE 7 HG21 ILE 7 2.051 1.311 31.422 59 HG22 ILE 7 HG22 ILE 7 2.185 2.953 32.042 60 HG23 ILE 7 HG23 ILE 7 2.717 1.594 33.026 61 HD11 ILE 7 HD11 ILE 7 4.738 -1.164 32.207 62 HD12 ILE 7 HD12 ILE 7 3.134 -0.439 32.247 63 HD13 ILE 7 HD13 ILE 7 4.430 0.238 33.227 64 H GLU 8 HN GLU 8 2.457 4.478 28.891 65 HA GLU 8 HA GLU 8 3.382 6.848 30.420 66 HB2 GLU 8 HB2 GLU 8 1.575 7.770 28.536 67 HB3 GLU 8 HB1 GLU 8 3.303 7.609 28.241 68 HG2 GLU 8 HG2 GLU 8 2.980 5.362 27.326 69 HG3 GLU 8 HG1 GLU 8 1.263 5.420 27.718 70 H LEU 9 HN LEU 9 2.223 7.636 32.008 71 HA LEU 9 HA LEU 9 -0.731 7.301 31.951 72 HB2 LEU 9 HB2 LEU 9 1.163 6.453 34.189 73 HB3 LEU 9 HB1 LEU 9 -0.559 6.697 34.455 74 HG LEU 9 HG LEU 9 0.562 4.833 32.340 75 HD11 LEU 9 HD11 LEU 9 -0.779 3.804 34.795 76 HD12 LEU 9 HD12 LEU 9 0.873 4.389 34.983 77 HD13 LEU 9 HD13 LEU 9 0.522 3.089 33.847 78 HD21 LEU 9 HD21 LEU 9 -2.145 5.665 33.278 79 HD22 LEU 9 HD22 LEU 9 -1.932 3.961 32.886 80 HD23 LEU 9 HD23 LEU 9 -1.617 5.190 31.666 81 H GLU 10 HN GLU 10 -1.852 8.823 33.201 82 HA GLU 10 HA GLU 10 -0.330 11.310 33.569 83 HB2 GLU 10 HB2 GLU 10 -3.289 10.817 34.127 84 HB3 GLU 10 HB1 GLU 10 -2.515 12.356 33.766 85 HG2 GLU 10 HG2 GLU 10 -3.435 11.796 31.683 86 HG3 GLU 10 HG1 GLU 10 -1.803 11.150 31.530 87 H GLY 11 HN GLY 11 0.105 12.290 35.490 88 HA2 GLY 11 HA2 GLY 11 -0.999 11.018 37.953 89 HA3 GLY 11 HA1 GLY 11 0.752 11.128 37.783 90 H THR 12 HN THR 12 0.081 12.372 39.880 91 HA THR 12 HA THR 12 -0.089 15.243 39.096 92 HB THR 12 HB THR 12 -1.121 14.506 41.817 93 HG1 THR 12 HG1 THR 12 -2.507 13.122 41.051 94 HG21 THR 12 HG21 THR 12 -1.511 16.789 40.896 95 HG22 THR 12 HG22 THR 12 -3.056 15.944 40.912 96 HG23 THR 12 HG23 THR 12 -2.159 16.108 39.406 97 H VAL 13 HN VAL 13 1.598 16.353 39.689 98 HA VAL 13 HA VAL 13 3.741 15.213 41.172 99 HB VAL 13 HB VAL 13 3.150 18.194 40.956 100 HG11 VAL 13 HG21 VAL 13 5.560 18.419 41.060 101 HG12 VAL 13 HG22 VAL 13 5.777 16.677 40.925 102 HG13 VAL 13 HG23 VAL 13 5.073 17.367 42.384 103 HG21 VAL 13 HG11 VAL 13 3.246 16.432 38.814 104 HG22 VAL 13 HG12 VAL 13 4.898 17.029 38.917 105 HG23 VAL 13 HG13 VAL 13 3.563 18.161 38.728 106 H SER 14 HN SER 14 4.190 15.065 43.257 107 HA SER 14 HA SER 14 2.246 16.332 45.147 108 HB2 SER 14 HB2 SER 14 3.103 14.462 46.717 109 HB3 SER 14 HB1 SER 14 2.233 13.880 45.285 110 HG SER 14 HG SER 14 4.036 13.121 44.510 111 H GLU 15 HN GLU 15 5.669 15.945 44.431 112 HA GLU 15 HA GLU 15 6.193 18.140 46.355 113 HB2 GLU 15 HB2 GLU 15 6.537 15.574 47.232 114 HB3 GLU 15 HB1 GLU 15 8.114 15.845 46.499 115 HG2 GLU 15 HG2 GLU 15 8.511 17.781 47.881 116 HG3 GLU 15 HG1 GLU 15 6.846 17.784 48.457 117 H ALA 16 HN ALA 16 8.266 19.127 46.107 118 HA ALA 16 HA ALA 16 9.442 18.668 43.393 119 HB1 ALA 16 HB1 ALA 16 10.043 21.081 43.459 120 HB2 ALA 16 HB2 ALA 16 9.387 21.210 45.088 121 HB3 ALA 16 HB3 ALA 16 8.313 20.890 43.730 122 H LEU 17 HN LEU 17 11.475 17.995 43.317 123 HA LEU 17 HA LEU 17 13.182 18.406 45.729 124 HB2 LEU 17 HB2 LEU 17 13.511 16.157 43.724 125 HB3 LEU 17 HB1 LEU 17 14.139 16.238 45.364 126 HG LEU 17 HG LEU 17 11.193 16.189 44.700 127 HD11 LEU 17 HD21 LEU 17 11.355 13.830 45.607 128 HD12 LEU 17 HD22 LEU 17 13.105 13.985 45.488 129 HD13 LEU 17 HD23 LEU 17 12.114 14.064 44.036 130 HD21 LEU 17 HD11 LEU 17 11.441 17.150 46.828 131 HD22 LEU 17 HD12 LEU 17 12.822 16.133 47.221 132 HD23 LEU 17 HD13 LEU 17 11.203 15.444 47.185 133 HA PRO 18 HA PRO 18 16.059 20.579 43.238 134 HB2 PRO 18 HB2 PRO 18 18.407 19.354 44.401 135 HB3 PRO 18 HB1 PRO 18 17.714 20.928 44.801 136 HG2 PRO 18 HG2 PRO 18 17.612 18.462 46.367 137 HG3 PRO 18 HG1 PRO 18 17.048 20.069 46.829 138 HD2 PRO 18 HD1 PRO 18 15.430 17.816 46.140 139 HD3 PRO 18 HD2 PRO 18 14.882 19.475 46.434 140 H ASN 19 HN ASN 19 18.026 20.177 41.847 141 HA ASN 19 HA ASN 19 19.101 18.991 40.156 142 HB2 ASN 19 HB2 ASN 19 18.074 16.365 41.235 143 HB3 ASN 19 HB1 ASN 19 19.672 16.757 40.607 144 HD21 ASN 19 HD21 ASN 19 20.998 18.295 42.034 145 HD22 ASN 19 HD22 ASN 19 20.820 18.161 43.717 146 H ALA 20 HN ALA 20 16.300 19.811 39.945 147 HA ALA 20 HA ALA 20 14.504 19.545 38.462 148 HB1 ALA 20 HB1 ALA 20 16.631 19.479 36.946 149 HB2 ALA 20 HB2 ALA 20 15.149 18.831 36.262 150 HB3 ALA 20 HB3 ALA 20 16.376 17.738 36.881 151 H MET 21 HN MET 21 14.163 17.907 40.541 152 HA MET 21 HA MET 21 13.009 15.487 39.297 153 HB2 MET 21 HB2 MET 21 14.811 15.604 41.771 154 HB3 MET 21 HB1 MET 21 13.809 14.212 41.388 155 HG2 MET 21 HG2 MET 21 15.579 15.267 39.247 156 HG3 MET 21 HG1 MET 21 16.351 14.449 40.570 157 HE1 MET 21 HE1 MET 21 17.425 12.526 39.776 158 HE2 MET 21 HE2 MET 21 16.509 11.025 39.633 159 HE3 MET 21 HE3 MET 21 16.335 12.029 41.072 160 H PHE 22 HN PHE 22 11.103 14.888 40.224 161 HA PHE 22 HA PHE 22 10.286 16.187 42.732 162 HB2 PHE 22 HB2 PHE 22 7.944 16.512 41.385 163 HB3 PHE 22 HB1 PHE 22 9.159 17.770 41.456 164 HD1 PHE 22 HD1 PHE 22 9.668 14.714 39.417 165 HD2 PHE 22 HD2 PHE 22 8.493 18.800 39.383 166 HE1 PHE 22 HE1 PHE 22 9.753 14.734 36.973 167 HE2 PHE 22 HE2 PHE 22 8.564 18.793 36.940 168 HZ PHE 22 HZ PHE 22 9.197 16.759 35.739 169 H LYS 23 HN LYS 23 8.404 15.293 43.700 170 HA LYS 23 HA LYS 23 8.195 12.405 43.069 171 HB2 LYS 23 HB2 LYS 23 8.637 13.510 45.451 172 HB3 LYS 23 HB1 LYS 23 6.901 13.787 45.447 173 HG2 LYS 23 HG2 LYS 23 6.474 11.611 45.911 174 HG3 LYS 23 HG1 LYS 23 7.527 11.060 44.616 175 HD2 LYS 23 HD2 LYS 23 9.493 11.318 46.047 176 HD3 LYS 23 HD1 LYS 23 8.503 12.008 47.330 177 HE2 LYS 23 HE2 LYS 23 8.064 9.233 46.186 178 HE3 LYS 23 HE1 LYS 23 9.026 9.547 47.624 179 HZ1 LYS 23 HZ1 LYS 23 7.067 9.244 48.638 180 HZ2 LYS 23 HZ2 LYS 23 6.151 9.635 47.261 181 HZ3 LYS 23 HZ3 LYS 23 6.807 10.871 48.226 182 H VAL 24 HN VAL 24 6.440 11.559 42.171 183 HA VAL 24 HA VAL 24 3.959 13.243 42.077 184 HB VAL 24 HB VAL 24 4.867 11.222 39.994 185 HG11 VAL 24 HG11 VAL 24 3.100 12.068 38.671 186 HG12 VAL 24 HG12 VAL 24 2.970 13.536 39.631 187 HG13 VAL 24 HG13 VAL 24 2.397 12.007 40.282 188 HG21 VAL 24 HG21 VAL 24 6.524 12.870 39.825 189 HG22 VAL 24 HG22 VAL 24 5.423 14.155 40.295 190 HG23 VAL 24 HG23 VAL 24 5.305 13.440 38.693 191 H LYS 25 HN LYS 25 2.020 12.193 42.170 192 HA LYS 25 HA LYS 25 2.154 9.330 43.053 193 HB2 LYS 25 HB2 LYS 25 0.287 11.451 44.188 194 HB3 LYS 25 HB1 LYS 25 0.469 9.796 44.761 195 HG2 LYS 25 HG2 LYS 25 2.748 10.227 45.467 196 HG3 LYS 25 HG1 LYS 25 2.729 11.820 44.724 197 HD2 LYS 25 HD2 LYS 25 2.230 12.413 46.911 198 HD3 LYS 25 HD1 LYS 25 0.600 12.136 46.309 199 HE2 LYS 25 HE2 LYS 25 1.122 10.981 48.505 200 HE3 LYS 25 HE1 LYS 25 0.556 9.906 47.232 201 HZ1 LYS 25 HZ1 LYS 25 2.900 9.712 48.670 202 HZ2 LYS 25 HZ2 LYS 25 3.365 10.185 47.106 203 HZ3 LYS 25 HZ3 LYS 25 2.435 8.781 47.327 204 H LEU 26 HN LEU 26 0.895 8.022 42.017 205 HA LEU 26 HA LEU 26 -0.940 9.085 40.025 206 HB2 LEU 26 HB2 LEU 26 0.094 6.339 40.791 207 HB3 LEU 26 HB1 LEU 26 -1.236 6.509 39.648 208 HG LEU 26 HG LEU 26 1.214 8.185 39.252 209 HD11 LEU 26 HD21 LEU 26 0.952 5.318 38.300 210 HD12 LEU 26 HD22 LEU 26 1.968 5.810 39.651 211 HD13 LEU 26 HD23 LEU 26 2.312 6.404 38.030 212 HD21 LEU 26 HD11 LEU 26 0.520 8.005 36.941 213 HD22 LEU 26 HD12 LEU 26 -0.903 8.389 37.903 214 HD23 LEU 26 HD13 LEU 26 -0.639 6.742 37.339 215 H GLU 27 HN GLU 27 -3.125 8.848 40.011 216 HA GLU 27 HA GLU 27 -4.555 8.910 42.408 217 HB2 GLU 27 HB2 GLU 27 -6.542 8.186 40.949 218 HB3 GLU 27 HB1 GLU 27 -5.626 9.545 40.301 219 HG2 GLU 27 HG2 GLU 27 -4.395 8.055 38.804 220 HG3 GLU 27 HG1 GLU 27 -5.178 6.646 39.515 221 H ASN 28 HN ASN 28 -3.330 6.191 40.638 222 HA ASN 28 HA ASN 28 -4.967 4.159 41.801 223 HB2 ASN 28 HB2 ASN 28 -2.041 3.941 40.936 224 HB3 ASN 28 HB1 ASN 28 -3.209 2.629 41.019 225 HD21 ASN 28 HD21 ASN 28 -5.385 3.356 39.695 226 HD22 ASN 28 HD22 ASN 28 -5.055 3.921 38.128 227 H GLY 29 HN GLY 29 -2.491 6.120 43.086 228 HA2 GLY 29 HA2 GLY 29 -2.215 6.217 45.521 229 HA3 GLY 29 HA1 GLY 29 -2.504 4.485 45.579 230 H HIS 30 HN HIS 30 -0.547 4.934 42.945 231 HA HIS 30 HA HIS 30 1.814 4.150 44.576 232 HB2 HIS 30 HB2 HIS 30 1.544 4.290 41.544 233 HB3 HIS 30 HB1 HIS 30 2.751 3.388 42.464 234 HD1 HIS 30 HD1 HIS 30 -0.617 3.134 41.286 235 HD2 HIS 30 HD2 HIS 30 1.684 1.164 43.965 236 HE1 HIS 30 HE1 HIS 30 -1.842 1.121 41.780 237 H GLU 31 HN GLU 31 3.751 5.168 44.575 238 HA GLU 31 HA GLU 31 3.734 7.963 43.598 239 HB2 GLU 31 HB2 GLU 31 5.508 8.317 45.326 240 HB3 GLU 31 HB1 GLU 31 4.049 7.654 46.054 241 HG2 GLU 31 HG2 GLU 31 5.088 5.342 45.743 242 HG3 GLU 31 HG1 GLU 31 6.590 6.164 45.328 243 H ILE 32 HN ILE 32 5.367 8.723 42.307 244 HA ILE 32 HA ILE 32 7.554 6.833 41.630 245 HB ILE 32 HB ILE 32 6.194 8.369 39.486 246 HG12 ILE 32 HG12 ILE 32 4.956 6.086 39.096 247 HG13 ILE 32 HG11 ILE 32 5.197 5.891 40.826 248 HG21 ILE 32 HG21 ILE 32 8.420 7.042 39.290 249 HG22 ILE 32 HG22 ILE 32 7.199 6.714 38.068 250 HG23 ILE 32 HG23 ILE 32 7.419 5.598 39.411 251 HD11 ILE 32 HD11 ILE 32 4.313 8.483 40.705 252 HD12 ILE 32 HD12 ILE 32 3.263 7.099 40.996 253 HD13 ILE 32 HD13 ILE 32 3.423 7.756 39.370 254 H LEU 33 HN LEU 33 9.447 7.740 40.937 255 HA LEU 33 HA LEU 33 9.679 10.620 41.511 256 HB2 LEU 33 HB2 LEU 33 11.605 8.288 41.246 257 HB3 LEU 33 HB1 LEU 33 12.221 9.927 41.071 258 HG LEU 33 HG LEU 33 11.529 10.530 43.282 259 HD11 LEU 33 HD21 LEU 33 9.346 9.627 43.474 260 HD12 LEU 33 HD22 LEU 33 10.273 8.707 44.654 261 HD13 LEU 33 HD23 LEU 33 9.892 7.997 43.089 262 HD21 LEU 33 HD11 LEU 33 12.680 8.866 44.674 263 HD22 LEU 33 HD12 LEU 33 13.550 9.066 43.156 264 HD23 LEU 33 HD13 LEU 33 12.519 7.660 43.402 265 H CYS 34 HN CYS 34 9.743 12.063 39.883 266 HA CYS 34 HA CYS 34 10.351 10.978 37.153 267 HB2 CYS 34 HB2 CYS 34 8.526 13.248 37.995 268 HB3 CYS 34 HB1 CYS 34 8.859 12.813 36.339 269 HG CYS 34 HG1 CYS 34 6.615 11.747 37.812 270 H HIS 35 HN HIS 35 11.368 12.327 35.663 271 HA HIS 35 HA HIS 35 12.975 14.529 36.932 272 HB2 HIS 35 HB2 HIS 35 14.191 12.359 36.152 273 HB3 HIS 35 HB1 HIS 35 13.792 12.852 34.507 274 HD1 HIS 35 HD1 HIS 35 14.726 15.309 33.970 275 HD2 HIS 35 HD2 HIS 35 16.472 13.503 37.153 276 HE1 HIS 35 HE1 HIS 35 16.780 16.544 34.330 277 H ILE 36 HN ILE 36 13.497 16.315 35.538 278 HA ILE 36 HA ILE 36 11.340 16.825 33.597 279 HB ILE 36 HB ILE 36 13.346 18.537 35.081 280 HG12 ILE 36 HG12 ILE 36 10.342 18.742 34.813 281 HG13 ILE 36 HG11 ILE 36 11.149 17.802 36.058 282 HG21 ILE 36 HG21 ILE 36 11.891 20.392 33.753 283 HG22 ILE 36 HG22 ILE 36 11.825 19.113 32.551 284 HG23 ILE 36 HG23 ILE 36 13.377 19.744 33.075 285 HD11 ILE 36 HD11 ILE 36 10.668 20.631 36.020 286 HD12 ILE 36 HD12 ILE 36 12.407 20.353 36.024 287 HD13 ILE 36 HD13 ILE 36 11.402 19.668 37.297 288 H SER 37 HN SER 37 11.705 17.561 31.514 289 HA SER 37 HA SER 37 14.185 16.547 30.325 290 HB2 SER 37 HB2 SER 37 11.623 17.702 29.106 291 HB3 SER 37 HB1 SER 37 12.967 17.045 28.154 292 HG SER 37 HG SER 37 12.652 15.078 29.033 293 H GLY 38 HN GLY 38 14.666 18.075 28.202 294 HA2 GLY 38 HA2 GLY 38 15.851 20.460 29.411 295 HA3 GLY 38 HA1 GLY 38 16.063 19.934 27.747 296 H LYS 39 HN LYS 39 12.989 19.781 27.565 297 HA LYS 39 HA LYS 39 12.704 22.455 26.529 298 HB2 LYS 39 HB2 LYS 39 10.555 21.738 25.728 299 HB3 LYS 39 HB1 LYS 39 11.549 20.289 25.669 300 HG2 LYS 39 HG2 LYS 39 10.654 19.717 27.983 301 HG3 LYS 39 HG1 LYS 39 9.499 21.030 27.772 302 HD2 LYS 39 HD2 LYS 39 9.345 19.593 25.377 303 HD3 LYS 39 HD1 LYS 39 9.475 18.350 26.615 304 HE2 LYS 39 HE2 LYS 39 7.128 18.849 26.365 305 HE3 LYS 39 HE1 LYS 39 7.641 19.564 27.888 306 HZ1 LYS 39 HZ1 LYS 39 6.396 20.843 25.816 307 HZ2 LYS 39 HZ2 LYS 39 8.009 21.362 25.716 308 HZ3 LYS 39 HZ3 LYS 39 7.137 21.573 27.158 309 H LEU 40 HN LEU 40 10.982 20.791 29.189 310 HA LEU 40 HA LEU 40 9.553 23.077 30.051 311 HB2 LEU 40 HB2 LEU 40 10.774 20.835 31.748 312 HB3 LEU 40 HB1 LEU 40 9.479 21.901 32.269 313 HG LEU 40 HG LEU 40 8.585 20.949 29.828 314 HD11 LEU 40 HD11 LEU 40 9.415 18.495 31.315 315 HD12 LEU 40 HD12 LEU 40 10.580 19.260 30.241 316 HD13 LEU 40 HD13 LEU 40 9.041 18.691 29.605 317 HD21 LEU 40 HD21 LEU 40 8.021 19.706 32.543 318 HD22 LEU 40 HD22 LEU 40 6.925 19.773 31.165 319 HD23 LEU 40 HD23 LEU 40 7.348 21.249 32.026 320 H ARG 41 HN ARG 41 12.805 22.227 30.192 321 HA ARG 41 HA ARG 41 13.574 23.948 32.357 322 HB2 ARG 41 HB2 ARG 41 14.780 21.971 30.811 323 HB3 ARG 41 HB1 ARG 41 15.559 23.434 30.219 324 HG2 ARG 41 HG2 ARG 41 16.812 22.555 32.102 325 HG3 ARG 41 HG1 ARG 41 16.058 24.073 32.558 326 HD2 ARG 41 HD2 ARG 41 14.669 23.071 34.073 327 HD3 ARG 41 HD1 ARG 41 14.401 21.673 33.039 328 HE ARG 41 HE ARG 41 16.914 21.155 33.799 329 HH11 ARG 41 HH11 ARG 41 17.836 21.963 35.958 330 HH12 ARG 41 HH12 ARG 41 16.835 21.573 37.316 331 HH21 ARG 41 HH21 ARG 41 14.051 20.859 35.309 332 HH22 ARG 41 HH22 ARG 41 14.634 20.932 36.938 333 H MET 42 HN MET 42 13.417 24.218 28.851 334 HA MET 42 HA MET 42 14.565 26.857 28.770 335 HB2 MET 42 HB2 MET 42 12.954 25.157 26.829 336 HB3 MET 42 HB1 MET 42 13.414 26.805 26.419 337 HG2 MET 42 HG2 MET 42 15.315 24.601 27.243 338 HG3 MET 42 HG1 MET 42 15.039 25.113 25.601 339 HE1 MET 42 HE1 MET 42 17.110 26.673 24.462 340 HE2 MET 42 HE2 MET 42 16.648 28.278 25.030 341 HE3 MET 42 HE3 MET 42 15.405 27.088 24.644 342 H ASN 43 HN ASN 43 11.307 25.575 29.121 343 HA ASN 43 HA ASN 43 10.017 28.138 28.615 344 HB2 ASN 43 HB2 ASN 43 9.119 25.538 29.948 345 HB3 ASN 43 HB1 ASN 43 8.045 26.918 29.749 346 HD21 ASN 43 HD21 ASN 43 7.840 27.741 27.410 347 HD22 ASN 43 HD22 ASN 43 7.882 26.584 26.168 348 H PHE 44 HN PHE 44 11.231 26.435 31.425 349 HA PHE 44 HA PHE 44 11.251 27.035 33.704 350 HB2 PHE 44 HB2 PHE 44 12.992 28.491 32.407 351 HB3 PHE 44 HB1 PHE 44 11.836 29.809 32.593 352 HD1 PHE 44 HD1 PHE 44 13.283 27.075 34.733 353 HD2 PHE 44 HD2 PHE 44 12.172 31.181 34.456 354 HE1 PHE 44 HE1 PHE 44 14.074 27.450 37.029 355 HE2 PHE 44 HE2 PHE 44 12.962 31.544 36.753 356 HZ PHE 44 HZ PHE 44 13.914 29.681 38.038 357 H ILE 45 HN ILE 45 8.712 26.886 33.365 358 HA ILE 45 HA ILE 45 7.403 29.476 33.727 359 HB ILE 45 HB ILE 45 5.996 26.858 34.207 360 HG12 ILE 45 HG12 ILE 45 5.796 27.058 31.501 361 HG13 ILE 45 HG11 ILE 45 7.457 27.586 31.736 362 HG21 ILE 45 HG21 ILE 45 5.092 28.984 32.272 363 HG22 ILE 45 HG22 ILE 45 5.144 29.438 33.972 364 HG23 ILE 45 HG23 ILE 45 4.145 28.084 33.453 365 HD11 ILE 45 HD11 ILE 45 6.195 24.946 32.454 366 HD12 ILE 45 HD12 ILE 45 7.620 25.502 33.326 367 HD13 ILE 45 HD13 ILE 45 7.694 25.250 31.586 368 H ARG 46 HN ARG 46 5.424 28.838 35.533 369 HA ARG 46 HA ARG 46 6.961 28.424 38.043 370 HB2 ARG 46 HB2 ARG 46 4.917 29.916 38.934 371 HB3 ARG 46 HB1 ARG 46 6.330 30.679 38.217 372 HG2 ARG 46 HG2 ARG 46 5.149 30.641 35.992 373 HG3 ARG 46 HG1 ARG 46 3.717 30.031 36.814 374 HD2 ARG 46 HD2 ARG 46 3.782 32.060 38.302 375 HD3 ARG 46 HD1 ARG 46 5.115 32.680 37.330 376 HE ARG 46 HE ARG 46 3.576 33.086 35.542 377 HH11 ARG 46 HH11 ARG 46 1.589 32.352 34.554 378 HH12 ARG 46 HH12 ARG 46 0.222 32.149 35.597 379 HH21 ARG 46 HH21 ARG 46 2.149 32.429 38.512 380 HH22 ARG 46 HH22 ARG 46 0.548 32.191 37.897 381 H ILE 47 HN ILE 47 6.351 26.156 37.636 382 HA ILE 47 HA ILE 47 3.500 25.568 38.230 383 HB ILE 47 HB ILE 47 5.874 23.913 37.275 384 HG12 ILE 47 HG12 ILE 47 4.334 25.385 35.755 385 HG13 ILE 47 HG11 ILE 47 4.707 23.742 35.251 386 HG21 ILE 47 HG21 ILE 47 4.163 21.994 37.236 387 HG22 ILE 47 HG22 ILE 47 3.099 23.011 38.201 388 HG23 ILE 47 HG23 ILE 47 4.649 22.491 38.853 389 HD11 ILE 47 HD11 ILE 47 2.569 22.932 36.069 390 HD12 ILE 47 HD12 ILE 47 2.251 24.350 35.076 391 HD13 ILE 47 HD13 ILE 47 2.218 24.478 36.830 392 H LEU 48 HN LEU 48 2.866 24.435 40.029 393 HA LEU 48 HA LEU 48 4.980 23.915 42.093 394 HB2 LEU 48 HB2 LEU 48 2.533 25.595 42.171 395 HB3 LEU 48 HB1 LEU 48 2.646 24.468 43.517 396 HG LEU 48 HG LEU 48 4.947 25.292 43.993 397 HD11 LEU 48 HD11 LEU 48 5.967 26.219 42.169 398 HD12 LEU 48 HD12 LEU 48 5.155 27.697 42.679 399 HD13 LEU 48 HD13 LEU 48 4.435 26.680 41.434 400 HD21 LEU 48 HD21 LEU 48 2.917 26.336 45.056 401 HD22 LEU 48 HD22 LEU 48 2.927 27.552 43.783 402 HD23 LEU 48 HD23 LEU 48 4.273 27.450 44.915 403 H GLU 49 HN GLU 49 4.562 22.208 43.527 404 HA GLU 49 HA GLU 49 3.654 19.837 42.566 405 HB2 GLU 49 HB2 GLU 49 3.217 19.187 44.981 406 HB3 GLU 49 HB1 GLU 49 4.749 20.026 44.770 407 HG2 GLU 49 HG2 GLU 49 3.764 21.112 46.635 408 HG3 GLU 49 HG1 GLU 49 3.406 22.188 45.288 409 H GLY 50 HN GLY 50 1.748 18.608 42.719 410 HA2 GLY 50 HA2 GLY 50 -0.618 18.346 43.157 411 HA3 GLY 50 HA1 GLY 50 -0.746 20.092 43.362 412 H ASP 51 HN ASP 51 1.099 20.145 40.853 413 HA ASP 51 HA ASP 51 -1.091 20.518 38.985 414 HB2 ASP 51 HB2 ASP 51 1.292 21.712 39.161 415 HB3 ASP 51 HB1 ASP 51 1.808 20.376 38.134 416 H LYS 52 HN LYS 52 -1.822 19.108 37.518 417 HA LYS 52 HA LYS 52 -0.824 16.434 37.563 418 HB2 LYS 52 HB2 LYS 52 -2.624 16.515 35.470 419 HB3 LYS 52 HB1 LYS 52 -3.078 16.230 37.149 420 HG2 LYS 52 HG2 LYS 52 -3.420 18.605 37.503 421 HG3 LYS 52 HG1 LYS 52 -2.837 18.965 35.885 422 HD2 LYS 52 HD2 LYS 52 -4.727 17.475 35.017 423 HD3 LYS 52 HD1 LYS 52 -5.370 17.488 36.654 424 HE2 LYS 52 HE2 LYS 52 -4.958 19.859 34.811 425 HE3 LYS 52 HE1 LYS 52 -6.474 19.276 35.486 426 HZ1 LYS 52 HZ1 LYS 52 -5.103 21.278 36.524 427 HZ2 LYS 52 HZ2 LYS 52 -4.408 19.997 37.396 428 HZ3 LYS 52 HZ3 LYS 52 -6.085 20.252 37.456 429 H VAL 53 HN VAL 53 0.060 15.283 36.025 430 HA VAL 53 HA VAL 53 0.865 16.650 33.516 431 HB VAL 53 HB VAL 53 3.251 16.106 34.018 432 HG11 VAL 53 HG21 VAL 53 2.205 18.328 34.587 433 HG12 VAL 53 HG22 VAL 53 3.631 17.925 35.534 434 HG13 VAL 53 HG23 VAL 53 2.030 17.731 36.233 435 HG21 VAL 53 HG11 VAL 53 2.210 15.444 36.773 436 HG22 VAL 53 HG12 VAL 53 3.897 15.414 36.268 437 HG23 VAL 53 HG13 VAL 53 2.758 14.246 35.604 438 H ASN 54 HN ASN 54 2.258 15.146 32.154 439 HA ASN 54 HA ASN 54 1.066 12.421 32.347 440 HB2 ASN 54 HB2 ASN 54 1.916 14.219 30.154 441 HB3 ASN 54 HB1 ASN 54 2.534 12.579 29.961 442 HD21 ASN 54 HD21 ASN 54 -0.312 14.561 29.789 443 HD22 ASN 54 HD22 ASN 54 -1.404 13.322 29.396 444 H VAL 55 HN VAL 55 2.285 10.928 33.285 445 HA VAL 55 HA VAL 55 5.219 11.327 33.335 446 HB VAL 55 HB VAL 55 3.536 9.398 34.976 447 HG11 VAL 55 HG11 VAL 55 5.840 8.784 35.062 448 HG12 VAL 55 HG12 VAL 55 5.566 9.720 36.526 449 HG13 VAL 55 HG13 VAL 55 6.362 10.464 35.143 450 HG21 VAL 55 HG21 VAL 55 3.613 11.100 36.762 451 HG22 VAL 55 HG22 VAL 55 2.785 11.733 35.343 452 HG23 VAL 55 HG23 VAL 55 4.446 12.208 35.678 453 H GLU 56 HN GLU 56 6.488 10.096 32.196 454 HA GLU 56 HA GLU 56 5.372 7.631 30.953 455 HB2 GLU 56 HB2 GLU 56 6.427 9.319 29.433 456 HB3 GLU 56 HB1 GLU 56 7.913 9.248 30.373 457 HG2 GLU 56 HG2 GLU 56 8.596 7.504 29.105 458 HG3 GLU 56 HG1 GLU 56 7.234 6.561 29.707 459 H LEU 57 HN LEU 57 5.831 5.793 31.985 460 HA LEU 57 HA LEU 57 8.237 5.730 33.755 461 HB2 LEU 57 HB2 LEU 57 6.063 3.599 33.504 462 HB3 LEU 57 HB1 LEU 57 7.168 3.841 34.845 463 HG LEU 57 HG LEU 57 5.349 6.108 34.103 464 HD11 LEU 57 HD11 LEU 57 3.881 4.101 34.113 465 HD12 LEU 57 HD12 LEU 57 3.549 5.150 35.489 466 HD13 LEU 57 HD13 LEU 57 4.490 3.679 35.711 467 HD21 LEU 57 HD21 LEU 57 6.311 4.958 36.741 468 HD22 LEU 57 HD22 LEU 57 5.446 6.476 36.529 469 HD23 LEU 57 HD23 LEU 57 7.076 6.295 35.889 470 H SER 58 HN SER 58 9.775 4.083 33.610 471 HA SER 58 HA SER 58 10.057 3.001 30.881 472 HB2 SER 58 HB2 SER 58 11.835 3.520 33.219 473 HB3 SER 58 HB1 SER 58 12.262 2.084 32.268 474 HG SER 58 HG SER 58 13.161 3.879 31.271 475 HA PRO 59 HA PRO 59 8.399 -0.982 31.918 476 HB2 PRO 59 HB2 PRO 59 10.076 -2.331 29.972 477 HB3 PRO 59 HB1 PRO 59 8.372 -1.904 29.806 478 HG2 PRO 59 HG2 PRO 59 10.674 -0.637 28.540 479 HG3 PRO 59 HG1 PRO 59 8.963 -0.283 28.286 480 HD2 PRO 59 HD1 PRO 59 10.866 1.337 29.684 481 HD3 PRO 59 HD2 PRO 59 9.118 1.600 29.560 482 H TYR 60 HN TYR 60 11.650 -0.098 32.176 483 HA TYR 60 HA TYR 60 12.432 -2.638 33.373 484 HB2 TYR 60 HB2 TYR 60 14.152 -1.986 31.880 485 HB3 TYR 60 HB1 TYR 60 13.917 -0.275 32.225 486 HD1 TYR 60 HD1 TYR 60 14.947 -3.439 33.950 487 HD2 TYR 60 HD2 TYR 60 15.408 0.781 33.696 488 HE1 TYR 60 HE1 TYR 60 16.731 -3.533 35.630 489 HE2 TYR 60 HE2 TYR 60 17.189 0.688 35.379 490 HH TYR 60 HH TYR 60 17.878 -2.192 37.175 491 H ASP 61 HN ASP 61 11.400 0.467 34.064 492 HA ASP 61 HA ASP 61 11.971 0.015 36.909 493 HB2 ASP 61 HB2 ASP 61 12.793 2.440 35.271 494 HB3 ASP 61 HB1 ASP 61 12.606 2.536 37.020 495 H LEU 62 HN LEU 62 9.666 -0.441 36.842 496 HA LEU 62 HA LEU 62 7.809 1.632 36.091 497 HB2 LEU 62 HB2 LEU 62 7.433 -0.767 37.943 498 HB3 LEU 62 HB1 LEU 62 6.131 0.178 37.226 499 HG LEU 62 HG LEU 62 8.173 -0.892 35.342 500 HD11 LEU 62 HD21 LEU 62 7.890 -2.832 36.781 501 HD12 LEU 62 HD22 LEU 62 6.963 -3.102 35.308 502 HD13 LEU 62 HD23 LEU 62 6.142 -2.621 36.789 503 HD21 LEU 62 HD11 LEU 62 5.143 -0.959 35.257 504 HD22 LEU 62 HD12 LEU 62 6.257 -1.063 33.898 505 HD23 LEU 62 HD13 LEU 62 6.073 0.454 34.771 506 H THR 63 HN THR 63 9.991 2.099 38.085 507 HA THR 63 HA THR 63 8.297 3.248 40.257 508 HB THR 63 HB THR 63 10.576 3.132 41.547 509 HG1 THR 63 HG1 THR 63 11.461 2.721 39.267 510 HG21 THR 63 HG21 THR 63 10.022 0.323 40.697 511 HG22 THR 63 HG22 THR 63 8.591 1.185 41.250 512 HG23 THR 63 HG23 THR 63 9.976 1.001 42.321 513 H ARG 64 HN ARG 64 10.274 3.899 37.619 514 HA ARG 64 HA ARG 64 10.559 6.738 38.513 515 HB2 ARG 64 HB2 ARG 64 12.612 5.119 36.925 516 HB3 ARG 64 HB1 ARG 64 12.789 6.797 37.427 517 HG2 ARG 64 HG2 ARG 64 12.886 6.193 39.741 518 HG3 ARG 64 HG1 ARG 64 12.334 4.554 39.408 519 HD2 ARG 64 HD2 ARG 64 14.766 4.552 39.771 520 HD3 ARG 64 HD1 ARG 64 14.416 4.148 38.092 521 HE ARG 64 HE ARG 64 15.278 6.883 38.961 522 HH11 ARG 64 HH11 ARG 64 17.507 6.756 37.950 523 HH12 ARG 64 HH12 ARG 64 17.494 6.408 36.254 524 HH21 ARG 64 HH21 ARG 64 14.159 5.337 36.293 525 HH22 ARG 64 HH22 ARG 64 15.548 5.584 35.291 526 H GLY 65 HN GLY 65 10.247 8.263 36.972 527 HA2 GLY 65 HA2 GLY 65 9.914 7.469 34.146 528 HA3 GLY 65 HA1 GLY 65 8.463 8.068 34.950 529 H ARG 66 HN ARG 66 8.428 9.877 33.512 530 HA ARG 66 HA ARG 66 9.991 12.123 34.578 531 HB2 ARG 66 HB2 ARG 66 10.963 12.658 32.254 532 HB3 ARG 66 HB1 ARG 66 11.673 11.261 33.052 533 HG2 ARG 66 HG2 ARG 66 9.919 9.856 31.794 534 HG3 ARG 66 HG1 ARG 66 9.632 11.291 30.818 535 HD2 ARG 66 HD2 ARG 66 12.288 9.853 31.163 536 HD3 ARG 66 HD1 ARG 66 11.305 9.897 29.700 537 HE ARG 66 HE ARG 66 11.846 12.582 30.405 538 HH11 ARG 66 HH11 ARG 66 12.510 11.019 27.845 539 HH12 ARG 66 HH12 ARG 66 14.225 11.244 27.760 540 HH21 ARG 66 HH21 ARG 66 14.450 12.323 31.088 541 HH22 ARG 66 HH22 ARG 66 15.352 12.002 29.645 542 H ILE 67 HN ILE 67 9.198 14.154 33.994 543 HA ILE 67 HA ILE 67 6.487 14.091 32.775 544 HB ILE 67 HB ILE 67 7.966 16.483 33.964 545 HG12 ILE 67 HG12 ILE 67 8.036 14.718 35.635 546 HG13 ILE 67 HG11 ILE 67 6.850 15.919 36.115 547 HG21 ILE 67 HG21 ILE 67 5.198 15.817 33.076 548 HG22 ILE 67 HG22 ILE 67 5.978 17.389 33.198 549 HG23 ILE 67 HG23 ILE 67 5.280 16.641 34.629 550 HD11 ILE 67 HD11 ILE 67 5.202 14.333 34.754 551 HD12 ILE 67 HD12 ILE 67 5.615 13.977 36.428 552 HD13 ILE 67 HD13 ILE 67 6.430 13.125 35.120 553 H THR 68 HN THR 68 6.497 14.295 30.650 554 HA THR 68 HA THR 68 8.338 16.310 29.421 555 HB THR 68 HB THR 68 7.893 14.809 27.304 556 HG1 THR 68 HG1 THR 68 6.545 13.635 29.367 557 HG21 THR 68 HG21 THR 68 10.058 14.732 28.703 558 HG22 THR 68 HG22 THR 68 9.628 13.175 28.002 559 HG23 THR 68 HG23 THR 68 9.295 13.498 29.699 560 H TRP 69 HN TRP 69 5.284 16.001 30.393 561 HA TRP 69 HA TRP 69 4.373 18.012 28.503 562 HB2 TRP 69 HB2 TRP 69 2.347 16.135 28.112 563 HB3 TRP 69 HB1 TRP 69 3.651 16.444 26.968 564 HD1 TRP 69 HD1 TRP 69 4.091 14.676 30.371 565 HE1 TRP 69 HE1 TRP 69 5.044 12.383 29.853 566 HE3 TRP 69 HE3 TRP 69 3.732 14.882 25.464 567 HZ2 TRP 69 HZ2 TRP 69 5.571 10.740 27.385 568 HZ3 TRP 69 HZ3 TRP 69 4.427 13.045 23.991 569 HH2 TRP 69 HH2 TRP 69 5.346 10.977 24.947 570 H ARG 70 HN ARG 70 3.486 19.297 30.000 571 HA ARG 70 HA ARG 70 2.130 18.288 32.299 572 HB2 ARG 70 HB2 ARG 70 1.934 20.570 32.937 573 HB3 ARG 70 HB1 ARG 70 3.379 20.579 31.932 574 HG2 ARG 70 HG2 ARG 70 1.850 21.107 29.960 575 HG3 ARG 70 HG1 ARG 70 0.570 21.378 31.135 576 HD2 ARG 70 HD2 ARG 70 2.005 23.077 32.270 577 HD3 ARG 70 HD1 ARG 70 3.235 22.836 31.030 578 HE ARG 70 HE ARG 70 0.540 24.019 30.533 579 HH11 ARG 70 HH11 ARG 70 3.789 24.557 30.344 580 HH12 ARG 70 HH12 ARG 70 3.829 25.034 28.679 581 HH21 ARG 70 HH21 ARG 70 0.509 24.064 28.110 582 HH22 ARG 70 HH22 ARG 70 1.924 24.748 27.381 583 H LYS 71 HN LYS 71 -0.027 18.010 32.648 584 HA LYS 71 HA LYS 71 -1.782 17.558 30.500 585 HB2 LYS 71 HB2 LYS 71 -1.904 17.432 33.323 586 HB3 LYS 71 HB1 LYS 71 -3.197 18.543 32.881 587 HG2 LYS 71 HG2 LYS 71 -2.790 15.831 31.582 588 HG3 LYS 71 HG1 LYS 71 -3.901 16.118 32.916 589 HD2 LYS 71 HD2 LYS 71 -4.655 18.122 31.245 590 HD3 LYS 71 HD1 LYS 71 -4.118 16.932 30.065 591 HE2 LYS 71 HE2 LYS 71 -6.489 16.572 30.528 592 HE3 LYS 71 HE1 LYS 71 -5.569 15.226 31.187 593 HZ1 LYS 71 HZ1 LYS 71 -7.378 16.544 32.574 594 HZ2 LYS 71 HZ2 LYS 71 -6.020 17.488 32.958 595 HZ3 LYS 71 HZ3 LYS 71 -6.021 15.823 33.294 596 H LYS 72 HN LYS 72 -3.389 18.744 29.509 597 HA LYS 72 HA LYS 72 -3.933 21.503 30.281 598 HB2 LYS 72 HB2 LYS 72 -3.063 22.451 28.099 599 HB3 LYS 72 HB1 LYS 72 -1.775 21.813 29.114 600 HG2 LYS 72 HG2 LYS 72 -1.712 19.747 27.829 601 HG3 LYS 72 HG1 LYS 72 -3.122 20.236 26.897 602 HD2 LYS 72 HD2 LYS 72 -1.894 22.098 25.917 603 HD3 LYS 72 HD1 LYS 72 -0.507 21.778 26.950 604 HE2 LYS 72 HE2 LYS 72 -1.300 19.382 25.499 605 HE3 LYS 72 HE1 LYS 72 -0.970 20.708 24.392 606 HZ1 LYS 72 HZ1 LYS 72 0.833 19.550 26.429 607 HZ2 LYS 72 HZ2 LYS 72 1.139 21.045 25.685 608 HZ3 LYS 72 HZ3 LYS 72 1.061 19.630 24.748 Start of MODEL 15 1 HA MET 1 HA MET 1 0.639 3.943 20.438 2 HB2 MET 1 HB2 MET 1 -1.860 3.939 21.732 3 HB3 MET 1 HB1 MET 1 -1.257 2.310 22.013 4 HG2 MET 1 HG2 MET 1 -0.542 3.898 23.772 5 HG3 MET 1 HG1 MET 1 0.799 3.160 22.936 6 HE1 MET 1 HE1 MET 1 0.389 7.311 24.082 7 HE2 MET 1 HE2 MET 1 0.699 5.794 24.924 8 HE3 MET 1 HE3 MET 1 -0.890 6.106 24.227 9 H ALA 2 HN ALA 2 2.026 2.322 20.218 10 HA ALA 2 HA ALA 2 1.165 -0.110 18.824 11 HB1 ALA 2 HB1 ALA 2 3.564 1.368 19.029 12 HB2 ALA 2 HB2 ALA 2 3.382 -0.185 18.219 13 HB3 ALA 2 HB3 ALA 2 3.911 -0.124 19.898 14 H LYS 3 HN LYS 3 0.536 0.609 21.771 15 HA LYS 3 HA LYS 3 0.248 -0.584 23.761 16 HB2 LYS 3 HB2 LYS 3 0.878 -3.074 22.110 17 HB3 LYS 3 HB1 LYS 3 -0.182 -2.948 23.505 18 HG2 LYS 3 HG2 LYS 3 -0.744 -1.404 20.966 19 HG3 LYS 3 HG1 LYS 3 -1.303 -3.058 21.178 20 HD2 LYS 3 HD2 LYS 3 -2.346 -2.306 23.374 21 HD3 LYS 3 HD1 LYS 3 -1.985 -0.653 22.890 22 HE2 LYS 3 HE2 LYS 3 -4.211 -1.020 22.137 23 HE3 LYS 3 HE1 LYS 3 -3.221 -1.207 20.696 24 HZ1 LYS 3 HZ1 LYS 3 -3.381 -3.525 20.808 25 HZ2 LYS 3 HZ2 LYS 3 -4.955 -2.960 21.103 26 HZ3 LYS 3 HZ3 LYS 3 -3.992 -3.503 22.393 27 H LYS 4 HN LYS 4 1.354 -2.349 25.157 28 HA LYS 4 HA LYS 4 3.287 -2.761 26.416 29 HB2 LYS 4 HB2 LYS 4 3.789 -3.535 23.566 30 HB3 LYS 4 HB1 LYS 4 5.222 -3.427 24.581 31 HG2 LYS 4 HG2 LYS 4 4.566 -5.180 25.931 32 HG3 LYS 4 HG1 LYS 4 2.854 -4.821 25.742 33 HD2 LYS 4 HD2 LYS 4 2.944 -5.679 23.412 34 HD3 LYS 4 HD1 LYS 4 4.644 -6.075 23.635 35 HE2 LYS 4 HE2 LYS 4 3.808 -8.113 24.277 36 HE3 LYS 4 HE1 LYS 4 3.579 -7.299 25.820 37 HZ1 LYS 4 HZ1 LYS 4 1.578 -8.429 25.106 38 HZ2 LYS 4 HZ2 LYS 4 1.548 -7.520 23.672 39 HZ3 LYS 4 HZ3 LYS 4 1.331 -6.749 25.170 40 H ASP 5 HN ASP 5 6.007 -2.395 25.664 41 HA ASP 5 HA ASP 5 7.670 -0.752 25.540 42 HB2 ASP 5 HB2 ASP 5 5.752 0.133 23.746 43 HB3 ASP 5 HB1 ASP 5 5.787 1.471 24.893 44 H VAL 6 HN VAL 6 6.922 2.103 26.092 45 HA VAL 6 HA VAL 6 7.185 1.922 28.977 46 HB VAL 6 HB VAL 6 6.750 4.532 28.663 47 HG11 VAL 6 HG11 VAL 6 8.954 4.091 29.145 48 HG12 VAL 6 HG12 VAL 6 9.152 4.541 27.455 49 HG13 VAL 6 HG13 VAL 6 9.083 2.843 27.910 50 HG21 VAL 6 HG21 VAL 6 7.516 3.817 25.832 51 HG22 VAL 6 HG22 VAL 6 6.937 5.360 26.452 52 HG23 VAL 6 HG23 VAL 6 5.828 4.001 26.298 53 H ILE 7 HN ILE 7 5.758 2.895 30.517 54 HA ILE 7 HA ILE 7 2.907 2.528 29.673 55 HB ILE 7 HB ILE 7 4.122 2.751 32.473 56 HG12 ILE 7 HG12 ILE 7 3.251 0.171 32.185 57 HG13 ILE 7 HG11 ILE 7 3.864 0.509 30.571 58 HG21 ILE 7 HG21 ILE 7 1.406 1.724 31.500 59 HG22 ILE 7 HG22 ILE 7 1.662 3.309 32.226 60 HG23 ILE 7 HG23 ILE 7 1.919 1.849 33.180 61 HD11 ILE 7 HD11 ILE 7 5.717 -0.330 31.876 62 HD12 ILE 7 HD12 ILE 7 5.362 0.783 33.194 63 HD13 ILE 7 HD13 ILE 7 5.974 1.399 31.662 64 H GLU 8 HN GLU 8 2.297 4.444 28.850 65 HA GLU 8 HA GLU 8 3.049 6.939 30.198 66 HB2 GLU 8 HB2 GLU 8 1.149 6.433 27.853 67 HB3 GLU 8 HB1 GLU 8 1.800 7.998 28.333 68 HG2 GLU 8 HG2 GLU 8 4.100 7.168 27.904 69 HG3 GLU 8 HG1 GLU 8 3.440 5.613 27.404 70 H LEU 9 HN LEU 9 2.016 7.494 31.973 71 HA LEU 9 HA LEU 9 -0.967 7.322 31.962 72 HB2 LEU 9 HB2 LEU 9 0.985 6.240 34.026 73 HB3 LEU 9 HB1 LEU 9 -0.631 6.735 34.518 74 HG LEU 9 HG LEU 9 -0.022 4.725 32.319 75 HD11 LEU 9 HD11 LEU 9 -0.559 3.016 33.852 76 HD12 LEU 9 HD12 LEU 9 -1.350 4.132 34.961 77 HD13 LEU 9 HD13 LEU 9 0.406 4.119 34.828 78 HD21 LEU 9 HD21 LEU 9 -2.474 6.098 33.292 79 HD22 LEU 9 HD22 LEU 9 -2.627 4.365 33.014 80 HD23 LEU 9 HD23 LEU 9 -2.122 5.426 31.702 81 H GLU 10 HN GLU 10 -2.000 8.895 33.207 82 HA GLU 10 HA GLU 10 -0.314 11.269 33.676 83 HB2 GLU 10 HB2 GLU 10 -3.319 11.099 34.085 84 HB3 GLU 10 HB1 GLU 10 -2.363 12.504 33.629 85 HG2 GLU 10 HG2 GLU 10 -1.754 11.117 31.505 86 HG3 GLU 10 HG1 GLU 10 -3.148 10.133 31.936 87 H GLY 11 HN GLY 11 -0.093 12.315 35.613 88 HA2 GLY 11 HA2 GLY 11 -1.415 11.104 37.979 89 HA3 GLY 11 HA1 GLY 11 0.350 11.102 37.950 90 H THR 12 HN THR 12 0.336 12.470 39.807 91 HA THR 12 HA THR 12 0.029 15.301 39.032 92 HB THR 12 HB THR 12 -1.169 14.177 41.630 93 HG1 THR 12 HG1 THR 12 -2.945 13.971 40.479 94 HG21 THR 12 HG21 THR 12 -0.605 16.638 41.678 95 HG22 THR 12 HG22 THR 12 -2.349 16.426 41.567 96 HG23 THR 12 HG23 THR 12 -1.421 16.853 40.132 97 H VAL 13 HN VAL 13 1.639 16.499 39.702 98 HA VAL 13 HA VAL 13 3.886 15.347 41.042 99 HB VAL 13 HB VAL 13 3.150 18.308 41.048 100 HG11 VAL 13 HG21 VAL 13 5.130 18.058 42.273 101 HG12 VAL 13 HG22 VAL 13 5.754 18.311 40.646 102 HG13 VAL 13 HG23 VAL 13 5.668 16.684 41.313 103 HG21 VAL 13 HG11 VAL 13 2.835 17.426 38.790 104 HG22 VAL 13 HG12 VAL 13 4.401 16.625 38.861 105 HG23 VAL 13 HG13 VAL 13 4.312 18.384 38.847 106 H SER 14 HN SER 14 4.161 14.830 43.086 107 HA SER 14 HA SER 14 2.288 15.970 45.086 108 HB2 SER 14 HB2 SER 14 4.247 13.665 45.489 109 HB3 SER 14 HB1 SER 14 2.758 13.997 46.393 110 HG SER 14 HG SER 14 2.552 12.410 44.662 111 H GLU 15 HN GLU 15 5.744 15.800 44.361 112 HA GLU 15 HA GLU 15 6.146 17.874 46.445 113 HB2 GLU 15 HB2 GLU 15 6.597 15.236 47.122 114 HB3 GLU 15 HB1 GLU 15 8.187 15.699 46.526 115 HG2 GLU 15 HG2 GLU 15 8.102 17.710 48.041 116 HG3 GLU 15 HG1 GLU 15 6.596 17.087 48.710 117 H ALA 16 HN ALA 16 8.127 19.003 46.280 118 HA ALA 16 HA ALA 16 9.364 18.775 43.568 119 HB1 ALA 16 HB1 ALA 16 9.158 21.119 45.524 120 HB2 ALA 16 HB2 ALA 16 8.282 20.954 44.003 121 HB3 ALA 16 HB3 ALA 16 10.026 21.190 43.992 122 H LEU 17 HN LEU 17 11.369 18.051 43.456 123 HA LEU 17 HA LEU 17 13.104 18.315 45.868 124 HB2 LEU 17 HB2 LEU 17 13.347 16.121 43.795 125 HB3 LEU 17 HB1 LEU 17 13.993 16.134 45.430 126 HG LEU 17 HG LEU 17 11.034 16.202 44.824 127 HD11 LEU 17 HD21 LEU 17 10.966 13.853 45.160 128 HD12 LEU 17 HD22 LEU 17 12.618 13.818 45.768 129 HD13 LEU 17 HD23 LEU 17 12.314 14.110 44.058 130 HD21 LEU 17 HD11 LEU 17 11.384 17.015 47.005 131 HD22 LEU 17 HD12 LEU 17 12.727 15.914 47.290 132 HD23 LEU 17 HD13 LEU 17 11.078 15.299 47.251 133 HA PRO 18 HA PRO 18 16.017 20.445 43.386 134 HB2 PRO 18 HB2 PRO 18 18.347 19.159 44.516 135 HB3 PRO 18 HB1 PRO 18 17.684 20.736 44.952 136 HG2 PRO 18 HG2 PRO 18 17.557 18.247 46.475 137 HG3 PRO 18 HG1 PRO 18 17.012 19.852 46.967 138 HD2 PRO 18 HD1 PRO 18 15.370 17.622 46.232 139 HD3 PRO 18 HD2 PRO 18 14.841 19.276 46.591 140 H ASN 19 HN ASN 19 18.193 19.910 42.187 141 HA ASN 19 HA ASN 19 19.270 18.703 40.528 142 HB2 ASN 19 HB2 ASN 19 18.508 16.779 42.466 143 HB3 ASN 19 HB1 ASN 19 18.014 16.095 40.919 144 HD21 ASN 19 HD21 ASN 19 20.555 16.072 42.991 145 HD22 ASN 19 HD22 ASN 19 21.839 15.886 41.896 146 H ALA 20 HN ALA 20 16.298 19.622 40.409 147 HA ALA 20 HA ALA 20 14.754 19.789 38.645 148 HB1 ALA 20 HB1 ALA 20 16.371 17.960 36.888 149 HB2 ALA 20 HB2 ALA 20 17.152 19.450 37.401 150 HB3 ALA 20 HB3 ALA 20 15.640 19.514 36.501 151 H MET 21 HN MET 21 14.290 17.805 40.549 152 HA MET 21 HA MET 21 12.796 15.871 38.913 153 HB2 MET 21 HB2 MET 21 14.312 14.885 41.351 154 HB3 MET 21 HB1 MET 21 13.726 13.956 39.976 155 HG2 MET 21 HG2 MET 21 15.382 15.172 38.543 156 HG3 MET 21 HG1 MET 21 16.017 15.925 39.980 157 HE1 MET 21 HE1 MET 21 16.965 12.475 41.855 158 HE2 MET 21 HE2 MET 21 15.285 12.925 41.562 159 HE3 MET 21 HE3 MET 21 16.438 14.135 42.126 160 H PHE 22 HN PHE 22 11.028 14.995 40.027 161 HA PHE 22 HA PHE 22 10.480 16.034 42.725 162 HB2 PHE 22 HB2 PHE 22 8.042 16.504 41.631 163 HB3 PHE 22 HB1 PHE 22 9.288 17.734 41.688 164 HD1 PHE 22 HD1 PHE 22 9.460 14.807 39.396 165 HD2 PHE 22 HD2 PHE 22 8.562 18.952 39.762 166 HE1 PHE 22 HE1 PHE 22 9.279 14.989 36.958 167 HE2 PHE 22 HE2 PHE 22 8.397 19.126 37.328 168 HZ PHE 22 HZ PHE 22 8.756 17.158 35.931 169 H LYS 23 HN LYS 23 8.465 15.147 43.646 170 HA LYS 23 HA LYS 23 8.269 12.280 42.918 171 HB2 LYS 23 HB2 LYS 23 8.597 13.383 45.353 172 HB3 LYS 23 HB1 LYS 23 6.846 13.524 45.279 173 HG2 LYS 23 HG2 LYS 23 6.532 11.194 45.183 174 HG3 LYS 23 HG1 LYS 23 8.167 10.900 44.600 175 HD2 LYS 23 HD2 LYS 23 8.182 10.235 46.896 176 HD3 LYS 23 HD1 LYS 23 8.981 11.802 46.859 177 HE2 LYS 23 HE2 LYS 23 6.757 12.865 47.402 178 HE3 LYS 23 HE1 LYS 23 6.093 11.251 47.611 179 HZ1 LYS 23 HZ1 LYS 23 7.275 10.900 49.506 180 HZ2 LYS 23 HZ2 LYS 23 7.046 12.579 49.621 181 HZ3 LYS 23 HZ3 LYS 23 8.530 11.960 49.072 182 H VAL 24 HN VAL 24 6.587 11.549 41.798 183 HA VAL 24 HA VAL 24 4.113 13.252 41.735 184 HB VAL 24 HB VAL 24 5.301 11.457 39.573 185 HG11 VAL 24 HG11 VAL 24 2.780 13.126 39.712 186 HG12 VAL 24 HG12 VAL 24 2.908 11.408 39.358 187 HG13 VAL 24 HG13 VAL 24 3.478 12.595 38.190 188 HG21 VAL 24 HG21 VAL 24 5.658 14.258 40.296 189 HG22 VAL 24 HG22 VAL 24 5.012 14.097 38.665 190 HG23 VAL 24 HG23 VAL 24 6.522 13.302 39.098 191 H LYS 25 HN LYS 25 2.203 12.305 41.981 192 HA LYS 25 HA LYS 25 2.223 9.360 42.541 193 HB2 LYS 25 HB2 LYS 25 1.822 10.494 44.631 194 HB3 LYS 25 HB1 LYS 25 0.704 11.620 43.876 195 HG2 LYS 25 HG2 LYS 25 -0.982 9.980 43.642 196 HG3 LYS 25 HG1 LYS 25 0.161 8.656 43.840 197 HD2 LYS 25 HD2 LYS 25 0.522 9.311 46.197 198 HD3 LYS 25 HD1 LYS 25 -0.605 10.648 46.004 199 HE2 LYS 25 HE2 LYS 25 -2.114 9.112 46.797 200 HE3 LYS 25 HE1 LYS 25 -2.157 8.613 45.111 201 HZ1 LYS 25 HZ1 LYS 25 -0.221 7.102 45.761 202 HZ2 LYS 25 HZ2 LYS 25 -1.784 6.659 46.253 203 HZ3 LYS 25 HZ3 LYS 25 -0.716 7.374 47.363 204 H LEU 26 HN LEU 26 1.254 8.315 41.001 205 HA LEU 26 HA LEU 26 -0.549 9.522 39.172 206 HB2 LEU 26 HB2 LEU 26 -0.278 6.566 39.785 207 HB3 LEU 26 HB1 LEU 26 -0.779 7.291 38.261 208 HG LEU 26 HG LEU 26 1.938 7.552 39.557 209 HD11 LEU 26 HD21 LEU 26 2.729 6.196 37.751 210 HD12 LEU 26 HD22 LEU 26 1.198 6.333 36.893 211 HD13 LEU 26 HD23 LEU 26 1.298 5.377 38.368 212 HD21 LEU 26 HD11 LEU 26 2.238 8.549 37.080 213 HD22 LEU 26 HD12 LEU 26 1.819 9.558 38.461 214 HD23 LEU 26 HD13 LEU 26 0.561 8.998 37.365 215 H GLU 27 HN GLU 27 -2.731 9.605 39.130 216 HA GLU 27 HA GLU 27 -4.206 9.510 41.497 217 HB2 GLU 27 HB2 GLU 27 -6.233 9.228 39.974 218 HB3 GLU 27 HB1 GLU 27 -5.148 10.508 39.445 219 HG2 GLU 27 HG2 GLU 27 -5.010 9.464 37.440 220 HG3 GLU 27 HG1 GLU 27 -4.163 8.146 38.246 221 H ASN 28 HN ASN 28 -2.855 6.965 39.762 222 HA ASN 28 HA ASN 28 -4.785 4.910 40.410 223 HB2 ASN 28 HB2 ASN 28 -1.819 4.819 39.660 224 HB3 ASN 28 HB1 ASN 28 -2.825 3.383 39.824 225 HD21 ASN 28 HD21 ASN 28 -2.288 6.286 37.871 226 HD22 ASN 28 HD22 ASN 28 -3.243 5.795 36.557 227 H GLY 29 HN GLY 29 -2.374 6.569 42.174 228 HA2 GLY 29 HA2 GLY 29 -2.392 6.366 44.624 229 HA3 GLY 29 HA1 GLY 29 -2.729 4.654 44.435 230 H HIS 30 HN HIS 30 -0.441 5.364 42.130 231 HA HIS 30 HA HIS 30 1.712 4.397 43.967 232 HB2 HIS 30 HB2 HIS 30 1.782 4.563 40.930 233 HB3 HIS 30 HB1 HIS 30 2.802 3.570 41.975 234 HD1 HIS 30 HD1 HIS 30 -0.422 3.583 40.409 235 HD2 HIS 30 HD2 HIS 30 1.416 1.412 43.287 236 HE1 HIS 30 HE1 HIS 30 -1.834 1.660 40.718 237 H GLU 31 HN GLU 31 3.501 5.473 44.393 238 HA GLU 31 HA GLU 31 3.822 8.155 43.191 239 HB2 GLU 31 HB2 GLU 31 5.005 8.749 45.266 240 HB3 GLU 31 HB1 GLU 31 3.458 8.021 45.687 241 HG2 GLU 31 HG2 GLU 31 4.794 5.773 45.718 242 HG3 GLU 31 HG1 GLU 31 6.217 6.806 45.839 243 H ILE 32 HN ILE 32 5.608 8.630 42.051 244 HA ILE 32 HA ILE 32 7.960 6.858 42.351 245 HB ILE 32 HB ILE 32 6.734 7.590 39.716 246 HG12 ILE 32 HG12 ILE 32 6.473 4.976 39.679 247 HG13 ILE 32 HG11 ILE 32 6.504 5.152 41.428 248 HG21 ILE 32 HG21 ILE 32 9.121 7.282 39.476 249 HG22 ILE 32 HG22 ILE 32 8.399 5.761 38.960 250 HG23 ILE 32 HG23 ILE 32 9.106 5.900 40.565 251 HD11 ILE 32 HD11 ILE 32 4.289 5.629 41.282 252 HD12 ILE 32 HD12 ILE 32 4.376 5.835 39.536 253 HD13 ILE 32 HD13 ILE 32 4.773 7.178 40.601 254 H LEU 33 HN LEU 33 9.877 7.718 41.202 255 HA LEU 33 HA LEU 33 9.953 10.620 41.631 256 HB2 LEU 33 HB2 LEU 33 12.031 8.452 41.146 257 HB3 LEU 33 HB1 LEU 33 12.472 10.153 41.068 258 HG LEU 33 HG LEU 33 11.768 10.509 43.362 259 HD11 LEU 33 HD21 LEU 33 10.921 8.463 44.666 260 HD12 LEU 33 HD22 LEU 33 10.676 7.693 43.100 261 HD13 LEU 33 HD23 LEU 33 9.791 9.160 43.509 262 HD21 LEU 33 HD11 LEU 33 13.341 9.085 44.530 263 HD22 LEU 33 HD12 LEU 33 14.009 9.401 42.932 264 HD23 LEU 33 HD13 LEU 33 13.237 7.855 43.274 265 H CYS 34 HN CYS 34 10.082 12.092 40.013 266 HA CYS 34 HA CYS 34 10.443 11.027 37.246 267 HB2 CYS 34 HB2 CYS 34 8.539 13.192 38.164 268 HB3 CYS 34 HB1 CYS 34 8.774 12.687 36.512 269 HG CYS 34 HG1 CYS 34 7.622 10.565 38.431 270 H HIS 35 HN HIS 35 11.424 12.287 35.765 271 HA HIS 35 HA HIS 35 12.831 14.701 36.872 272 HB2 HIS 35 HB2 HIS 35 14.288 12.702 36.229 273 HB3 HIS 35 HB1 HIS 35 13.688 12.840 34.580 274 HD1 HIS 35 HD1 HIS 35 14.153 15.351 33.635 275 HD2 HIS 35 HD2 HIS 35 16.544 14.164 36.687 276 HE1 HIS 35 HE1 HIS 35 16.049 16.853 33.547 277 H ILE 36 HN ILE 36 13.135 16.464 35.388 278 HA ILE 36 HA ILE 36 10.870 16.683 33.530 279 HB ILE 36 HB ILE 36 12.890 18.626 34.686 280 HG12 ILE 36 HG12 ILE 36 9.861 18.631 34.725 281 HG13 ILE 36 HG11 ILE 36 10.841 17.802 35.929 282 HG21 ILE 36 HG21 ILE 36 11.498 20.372 33.389 283 HG22 ILE 36 HG22 ILE 36 10.823 19.035 32.469 284 HG23 ILE 36 HG23 ILE 36 12.545 19.378 32.382 285 HD11 ILE 36 HD11 ILE 36 10.207 20.607 35.782 286 HD12 ILE 36 HD12 ILE 36 11.950 20.406 35.639 287 HD13 ILE 36 HD13 ILE 36 11.100 19.752 37.037 288 H SER 37 HN SER 37 11.064 17.392 31.388 289 HA SER 37 HA SER 37 13.400 16.265 30.050 290 HB2 SER 37 HB2 SER 37 10.745 17.453 29.147 291 HB3 SER 37 HB1 SER 37 12.031 17.137 27.968 292 HG SER 37 HG SER 37 10.903 15.242 28.178 293 H GLY 38 HN GLY 38 15.112 17.388 29.433 294 HA2 GLY 38 HA2 GLY 38 15.610 20.052 30.129 295 HA3 GLY 38 HA1 GLY 38 16.472 19.209 28.850 296 H LYS 39 HN LYS 39 13.535 18.953 27.678 297 HA LYS 39 HA LYS 39 13.875 21.278 25.970 298 HB2 LYS 39 HB2 LYS 39 11.452 19.460 25.939 299 HB3 LYS 39 HB1 LYS 39 12.214 20.278 24.581 300 HG2 LYS 39 HG2 LYS 39 13.622 18.106 26.168 301 HG3 LYS 39 HG1 LYS 39 12.652 17.760 24.744 302 HD2 LYS 39 HD2 LYS 39 14.862 19.822 24.672 303 HD3 LYS 39 HD1 LYS 39 15.188 18.118 24.386 304 HE2 LYS 39 HE2 LYS 39 12.874 18.877 22.856 305 HE3 LYS 39 HE1 LYS 39 14.161 20.031 22.537 306 HZ1 LYS 39 HZ1 LYS 39 13.957 17.265 21.801 307 HZ2 LYS 39 HZ2 LYS 39 15.455 17.665 22.493 308 HZ3 LYS 39 HZ3 LYS 39 14.901 18.505 21.125 309 H LEU 40 HN LEU 40 11.058 20.115 27.805 310 HA LEU 40 HA LEU 40 9.725 22.613 27.613 311 HB2 LEU 40 HB2 LEU 40 8.108 21.606 28.992 312 HB3 LEU 40 HB1 LEU 40 8.978 20.156 28.521 313 HG LEU 40 HG LEU 40 10.452 20.901 30.677 314 HD11 LEU 40 HD11 LEU 40 7.670 21.412 31.659 315 HD12 LEU 40 HD12 LEU 40 8.496 22.742 30.852 316 HD13 LEU 40 HD13 LEU 40 9.201 22.014 32.291 317 HD21 LEU 40 HD21 LEU 40 8.038 19.162 30.300 318 HD22 LEU 40 HD22 LEU 40 8.707 19.341 31.919 319 HD23 LEU 40 HD23 LEU 40 9.703 18.694 30.621 320 H ARG 41 HN ARG 41 12.410 21.582 29.378 321 HA ARG 41 HA ARG 41 12.180 23.457 31.567 322 HB2 ARG 41 HB2 ARG 41 13.903 21.325 30.854 323 HB3 ARG 41 HB1 ARG 41 14.934 22.752 30.792 324 HG2 ARG 41 HG2 ARG 41 13.780 23.338 33.084 325 HG3 ARG 41 HG1 ARG 41 13.408 21.620 33.126 326 HD2 ARG 41 HD2 ARG 41 15.558 22.071 34.259 327 HD3 ARG 41 HD1 ARG 41 15.816 21.098 32.811 328 HE ARG 41 HE ARG 41 16.667 23.112 31.689 329 HH11 ARG 41 HH11 ARG 41 15.223 24.066 34.553 330 HH12 ARG 41 HH12 ARG 41 16.477 25.154 35.046 331 HH21 ARG 41 HH21 ARG 41 18.626 24.169 32.458 332 HH22 ARG 41 HH22 ARG 41 18.454 25.213 33.829 333 H MET 42 HN MET 42 13.744 23.408 28.405 334 HA MET 42 HA MET 42 15.087 25.898 28.657 335 HB2 MET 42 HB2 MET 42 14.095 24.195 26.367 336 HB3 MET 42 HB1 MET 42 14.612 25.840 26.008 337 HG2 MET 42 HG2 MET 42 16.221 23.652 27.328 338 HG3 MET 42 HG1 MET 42 16.502 24.355 25.758 339 HE1 MET 42 HE1 MET 42 19.673 25.150 27.269 340 HE2 MET 42 HE2 MET 42 18.624 23.809 26.809 341 HE3 MET 42 HE3 MET 42 18.881 24.184 28.513 342 H ASN 43 HN ASN 43 11.782 25.053 27.735 343 HA ASN 43 HA ASN 43 11.001 27.613 26.750 344 HB2 ASN 43 HB2 ASN 43 9.507 25.360 28.167 345 HB3 ASN 43 HB1 ASN 43 8.668 26.824 27.657 346 HD21 ASN 43 HD21 ASN 43 8.763 27.348 25.284 347 HD22 ASN 43 HD22 ASN 43 8.951 26.085 24.166 348 H PHE 44 HN PHE 44 12.267 26.941 29.684 349 HA PHE 44 HA PHE 44 12.325 28.061 31.733 350 HB2 PHE 44 HB2 PHE 44 12.565 29.940 29.825 351 HB3 PHE 44 HB1 PHE 44 10.993 30.446 30.446 352 HD1 PHE 44 HD1 PHE 44 14.444 29.556 31.597 353 HD2 PHE 44 HD2 PHE 44 10.887 31.762 32.407 354 HE1 PHE 44 HE1 PHE 44 15.540 30.630 33.515 355 HE2 PHE 44 HE2 PHE 44 11.995 32.835 34.318 356 HZ PHE 44 HZ PHE 44 14.317 32.268 34.874 357 H ILE 45 HN ILE 45 10.110 26.448 31.454 358 HA ILE 45 HA ILE 45 7.826 28.052 32.423 359 HB ILE 45 HB ILE 45 7.973 25.063 31.866 360 HG12 ILE 45 HG12 ILE 45 8.541 26.685 29.913 361 HG13 ILE 45 HG11 ILE 45 7.316 25.452 29.641 362 HG21 ILE 45 HG21 ILE 45 5.715 27.110 32.171 363 HG22 ILE 45 HG22 ILE 45 6.024 25.710 33.195 364 HG23 ILE 45 HG23 ILE 45 5.452 25.485 31.544 365 HD11 ILE 45 HD11 ILE 45 6.669 27.789 28.872 366 HD12 ILE 45 HD12 ILE 45 6.655 28.264 30.566 367 HD13 ILE 45 HD13 ILE 45 5.529 27.039 29.986 368 H ARG 46 HN ARG 46 6.679 27.388 34.334 369 HA ARG 46 HA ARG 46 8.103 25.602 36.171 370 HB2 ARG 46 HB2 ARG 46 8.244 28.521 36.297 371 HB3 ARG 46 HB1 ARG 46 7.513 27.871 37.762 372 HG2 ARG 46 HG2 ARG 46 9.403 26.493 38.218 373 HG3 ARG 46 HG1 ARG 46 10.050 26.709 36.595 374 HD2 ARG 46 HD2 ARG 46 11.315 28.127 38.112 375 HD3 ARG 46 HD1 ARG 46 10.311 29.165 37.103 376 HE ARG 46 HE ARG 46 8.669 29.019 39.149 377 HH11 ARG 46 HH11 ARG 46 10.565 31.215 39.345 378 HH12 ARG 46 HH12 ARG 46 11.378 30.927 40.846 379 HH21 ARG 46 HH21 ARG 46 10.345 27.581 40.994 380 HH22 ARG 46 HH22 ARG 46 11.251 28.814 41.805 381 H ILE 47 HN ILE 47 6.382 24.269 36.372 382 HA ILE 47 HA ILE 47 3.720 25.399 36.928 383 HB ILE 47 HB ILE 47 4.358 23.253 35.493 384 HG12 ILE 47 HG12 ILE 47 2.159 22.683 37.456 385 HG13 ILE 47 HG11 ILE 47 2.027 24.123 36.460 386 HG21 ILE 47 HG21 ILE 47 4.485 21.188 36.795 387 HG22 ILE 47 HG22 ILE 47 4.089 22.033 38.288 388 HG23 ILE 47 HG23 ILE 47 5.648 22.296 37.517 389 HD11 ILE 47 HD11 ILE 47 2.555 22.587 34.457 390 HD12 ILE 47 HD12 ILE 47 0.967 22.412 35.189 391 HD13 ILE 47 HD13 ILE 47 2.235 21.245 35.551 392 H LEU 48 HN LEU 48 2.560 25.036 38.841 393 HA LEU 48 HA LEU 48 4.260 24.865 41.231 394 HB2 LEU 48 HB2 LEU 48 1.227 25.169 40.947 395 HB3 LEU 48 HB1 LEU 48 2.141 25.425 42.427 396 HG LEU 48 HG LEU 48 3.472 27.194 41.160 397 HD11 LEU 48 HD11 LEU 48 3.134 26.939 38.892 398 HD12 LEU 48 HD12 LEU 48 1.813 28.058 39.212 399 HD13 LEU 48 HD13 LEU 48 1.495 26.331 39.100 400 HD21 LEU 48 HD21 LEU 48 0.494 27.754 41.291 401 HD22 LEU 48 HD22 LEU 48 1.813 28.889 41.561 402 HD23 LEU 48 HD23 LEU 48 1.495 27.615 42.733 403 H GLU 49 HN GLU 49 4.409 23.174 42.596 404 HA GLU 49 HA GLU 49 3.881 20.582 41.910 405 HB2 GLU 49 HB2 GLU 49 3.552 21.535 44.779 406 HB3 GLU 49 HB1 GLU 49 4.252 20.019 44.221 407 HG2 GLU 49 HG2 GLU 49 5.448 22.779 44.184 408 HG3 GLU 49 HG1 GLU 49 6.174 21.264 44.712 409 H GLY 50 HN GLY 50 2.275 19.048 42.468 410 HA2 GLY 50 HA2 GLY 50 0.081 18.416 43.211 411 HA3 GLY 50 HA1 GLY 50 -0.305 20.120 43.440 412 H ASP 51 HN ASP 51 1.064 20.432 40.668 413 HA ASP 51 HA ASP 51 -1.416 20.432 39.186 414 HB2 ASP 51 HB2 ASP 51 0.653 21.989 38.887 415 HB3 ASP 51 HB1 ASP 51 1.380 20.656 37.996 416 H LYS 52 HN LYS 52 -1.878 19.176 37.324 417 HA LYS 52 HA LYS 52 -0.900 16.487 37.564 418 HB2 LYS 52 HB2 LYS 52 -3.097 17.860 36.037 419 HB3 LYS 52 HB1 LYS 52 -2.587 16.261 35.512 420 HG2 LYS 52 HG2 LYS 52 -4.316 15.805 37.065 421 HG3 LYS 52 HG1 LYS 52 -2.850 15.591 38.015 422 HD2 LYS 52 HD2 LYS 52 -3.061 17.826 38.950 423 HD3 LYS 52 HD1 LYS 52 -4.415 18.188 37.887 424 HE2 LYS 52 HE2 LYS 52 -4.493 15.867 39.821 425 HE3 LYS 52 HE1 LYS 52 -4.993 17.483 40.299 426 HZ1 LYS 52 HZ1 LYS 52 -6.467 17.388 38.244 427 HZ2 LYS 52 HZ2 LYS 52 -6.933 16.468 39.594 428 HZ3 LYS 52 HZ3 LYS 52 -6.188 15.712 38.269 429 H VAL 53 HN VAL 53 0.095 15.287 36.088 430 HA VAL 53 HA VAL 53 1.063 16.625 33.623 431 HB VAL 53 HB VAL 53 3.393 16.088 34.290 432 HG11 VAL 53 HG21 VAL 53 3.665 17.787 35.966 433 HG12 VAL 53 HG22 VAL 53 2.019 17.548 36.538 434 HG13 VAL 53 HG23 VAL 53 2.308 18.269 34.958 435 HG21 VAL 53 HG11 VAL 53 1.961 14.903 36.644 436 HG22 VAL 53 HG12 VAL 53 3.610 15.486 36.833 437 HG23 VAL 53 HG13 VAL 53 3.259 14.201 35.684 438 H ASN 54 HN ASN 54 2.270 15.090 32.235 439 HA ASN 54 HA ASN 54 1.059 12.401 32.470 440 HB2 ASN 54 HB2 ASN 54 2.005 14.127 30.282 441 HB3 ASN 54 HB1 ASN 54 2.648 12.494 30.136 442 HD21 ASN 54 HD21 ASN 54 1.302 11.603 28.536 443 HD22 ASN 54 HD22 ASN 54 -0.391 11.537 28.645 444 H VAL 55 HN VAL 55 2.169 10.807 33.359 445 HA VAL 55 HA VAL 55 5.100 11.139 33.634 446 HB VAL 55 HB VAL 55 3.417 9.086 35.082 447 HG11 VAL 55 HG11 VAL 55 5.770 8.836 35.436 448 HG12 VAL 55 HG12 VAL 55 5.179 9.678 36.865 449 HG13 VAL 55 HG13 VAL 55 6.005 10.574 35.593 450 HG21 VAL 55 HG21 VAL 55 3.210 10.853 36.908 451 HG22 VAL 55 HG22 VAL 55 2.200 11.118 35.491 452 HG23 VAL 55 HG23 VAL 55 3.683 12.039 35.698 453 H GLU 56 HN GLU 56 6.386 9.958 32.461 454 HA GLU 56 HA GLU 56 5.307 7.517 31.137 455 HB2 GLU 56 HB2 GLU 56 6.319 9.121 29.586 456 HB3 GLU 56 HB1 GLU 56 7.738 9.301 30.611 457 HG2 GLU 56 HG2 GLU 56 8.486 7.072 30.124 458 HG3 GLU 56 HG1 GLU 56 6.944 6.643 29.387 459 H LEU 57 HN LEU 57 5.719 5.707 32.233 460 HA LEU 57 HA LEU 57 8.043 5.609 34.055 461 HB2 LEU 57 HB2 LEU 57 5.959 3.476 33.384 462 HB3 LEU 57 HB1 LEU 57 7.092 3.413 34.725 463 HG LEU 57 HG LEU 57 5.405 5.861 34.537 464 HD11 LEU 57 HD11 LEU 57 3.673 4.278 34.057 465 HD12 LEU 57 HD12 LEU 57 3.576 4.562 35.792 466 HD13 LEU 57 HD13 LEU 57 4.340 3.098 35.182 467 HD21 LEU 57 HD21 LEU 57 6.392 4.008 36.730 468 HD22 LEU 57 HD22 LEU 57 5.338 5.383 37.038 469 HD23 LEU 57 HD23 LEU 57 6.951 5.641 36.381 470 H SER 58 HN SER 58 9.913 4.600 33.663 471 HA SER 58 HA SER 58 10.326 3.520 30.963 472 HB2 SER 58 HB2 SER 58 11.978 5.013 32.333 473 HB3 SER 58 HB1 SER 58 12.392 3.517 33.194 474 HG SER 58 HG SER 58 12.659 4.160 30.472 475 HA PRO 59 HA PRO 59 9.497 -0.647 32.395 476 HB2 PRO 59 HB2 PRO 59 10.662 -1.710 29.951 477 HB3 PRO 59 HB1 PRO 59 8.953 -1.620 30.377 478 HG2 PRO 59 HG2 PRO 59 10.365 -0.014 28.434 479 HG3 PRO 59 HG1 PRO 59 8.664 0.108 28.889 480 HD2 PRO 59 HD1 PRO 59 10.818 1.921 29.565 481 HD3 PRO 59 HD2 PRO 59 9.102 2.060 29.988 482 H TYR 60 HN TYR 60 12.427 0.804 31.657 483 HA TYR 60 HA TYR 60 14.029 -1.527 32.283 484 HB2 TYR 60 HB2 TYR 60 14.460 0.492 30.504 485 HB3 TYR 60 HB1 TYR 60 15.258 1.176 31.918 486 HD1 TYR 60 HD1 TYR 60 15.433 -1.353 29.318 487 HD2 TYR 60 HD2 TYR 60 17.112 -0.112 33.023 488 HE1 TYR 60 HE1 TYR 60 17.382 -2.784 28.914 489 HE2 TYR 60 HE2 TYR 60 19.060 -1.544 32.621 490 HH TYR 60 HH TYR 60 19.939 -2.701 29.777 491 H ASP 61 HN ASP 61 12.601 1.181 33.632 492 HA ASP 61 HA ASP 61 13.938 0.632 36.186 493 HB2 ASP 61 HB2 ASP 61 13.520 3.463 35.146 494 HB3 ASP 61 HB1 ASP 61 14.462 2.975 36.552 495 H LEU 62 HN LEU 62 11.890 -0.345 36.648 496 HA LEU 62 HA LEU 62 9.454 1.193 36.544 497 HB2 LEU 62 HB2 LEU 62 10.141 -1.303 38.164 498 HB3 LEU 62 HB1 LEU 62 8.513 -0.703 37.860 499 HG LEU 62 HG LEU 62 10.426 -1.358 35.606 500 HD11 LEU 62 HD21 LEU 62 9.065 -3.504 35.447 501 HD12 LEU 62 HD22 LEU 62 8.463 -3.147 37.062 502 HD13 LEU 62 HD23 LEU 62 10.182 -3.428 36.807 503 HD21 LEU 62 HD11 LEU 62 8.165 -1.641 34.436 504 HD22 LEU 62 HD12 LEU 62 8.575 0.005 34.907 505 HD23 LEU 62 HD13 LEU 62 7.436 -0.929 35.873 506 H THR 63 HN THR 63 11.808 2.238 37.981 507 HA THR 63 HA THR 63 10.453 2.792 40.595 508 HB THR 63 HB THR 63 13.449 2.592 39.952 509 HG1 THR 63 HG1 THR 63 13.222 0.823 41.305 510 HG21 THR 63 HG21 THR 63 11.864 3.533 42.384 511 HG22 THR 63 HG22 THR 63 13.347 4.221 41.732 512 HG23 THR 63 HG23 THR 63 13.398 2.702 42.621 513 H ARG 64 HN ARG 64 11.465 4.049 37.673 514 HA ARG 64 HA ARG 64 11.204 6.819 38.757 515 HB2 ARG 64 HB2 ARG 64 13.464 5.635 37.107 516 HB3 ARG 64 HB1 ARG 64 13.057 7.334 36.913 517 HG2 ARG 64 HG2 ARG 64 13.987 7.888 38.904 518 HG3 ARG 64 HG1 ARG 64 13.213 6.541 39.727 519 HD2 ARG 64 HD2 ARG 64 15.763 6.438 39.632 520 HD3 ARG 64 HD1 ARG 64 14.932 5.009 39.024 521 HE ARG 64 HE ARG 64 15.439 6.924 36.906 522 HH11 ARG 64 HH11 ARG 64 15.771 4.548 35.760 523 HH12 ARG 64 HH12 ARG 64 17.414 4.042 35.976 524 HH21 ARG 64 HH21 ARG 64 17.974 6.302 38.597 525 HH22 ARG 64 HH22 ARG 64 18.694 5.062 37.625 526 H GLY 65 HN GLY 65 10.469 8.340 37.276 527 HA2 GLY 65 HA2 GLY 65 9.543 7.348 34.618 528 HA3 GLY 65 HA1 GLY 65 8.383 8.117 35.703 529 H ARG 66 HN ARG 66 8.276 9.654 33.743 530 HA ARG 66 HA ARG 66 10.040 11.928 34.415 531 HB2 ARG 66 HB2 ARG 66 10.041 10.630 31.643 532 HB3 ARG 66 HB1 ARG 66 10.745 12.201 31.984 533 HG2 ARG 66 HG2 ARG 66 12.197 11.069 33.724 534 HG3 ARG 66 HG1 ARG 66 11.606 9.526 33.113 535 HD2 ARG 66 HD2 ARG 66 12.326 10.783 30.782 536 HD3 ARG 66 HD1 ARG 66 13.531 11.416 31.901 537 HE ARG 66 HE ARG 66 14.259 9.111 32.324 538 HH11 ARG 66 HH11 ARG 66 14.429 9.406 29.363 539 HH12 ARG 66 HH12 ARG 66 13.613 7.987 28.795 540 HH21 ARG 66 HH21 ARG 66 12.100 7.371 31.896 541 HH22 ARG 66 HH22 ARG 66 12.260 6.806 30.266 542 H ILE 67 HN ILE 67 9.045 13.770 34.212 543 HA ILE 67 HA ILE 67 6.405 13.855 32.899 544 HB ILE 67 HB ILE 67 7.925 15.440 34.954 545 HG12 ILE 67 HG12 ILE 67 5.580 15.523 35.879 546 HG13 ILE 67 HG11 ILE 67 5.094 14.513 34.531 547 HG21 ILE 67 HG21 ILE 67 6.011 16.613 32.903 548 HG22 ILE 67 HG22 ILE 67 7.445 17.346 33.613 549 HG23 ILE 67 HG23 ILE 67 5.963 17.227 34.551 550 HD11 ILE 67 HD11 ILE 67 7.002 12.955 35.259 551 HD12 ILE 67 HD12 ILE 67 5.560 12.986 36.257 552 HD13 ILE 67 HD13 ILE 67 6.989 13.866 36.761 553 H THR 68 HN THR 68 6.475 14.338 30.811 554 HA THR 68 HA THR 68 8.342 16.501 29.939 555 HB THR 68 HB THR 68 8.818 15.236 27.905 556 HG1 THR 68 HG1 THR 68 7.039 14.338 27.205 557 HG21 THR 68 HG21 THR 68 9.564 13.042 28.724 558 HG22 THR 68 HG22 THR 68 8.349 13.037 29.999 559 HG23 THR 68 HG23 THR 68 9.734 14.123 30.104 560 H TRP 69 HN TRP 69 5.228 15.925 30.485 561 HA TRP 69 HA TRP 69 4.421 17.946 28.522 562 HB2 TRP 69 HB2 TRP 69 2.472 16.011 28.039 563 HB3 TRP 69 HB1 TRP 69 3.842 16.326 26.982 564 HD1 TRP 69 HD1 TRP 69 4.129 14.640 30.442 565 HE1 TRP 69 HE1 TRP 69 5.049 12.311 30.017 566 HE3 TRP 69 HE3 TRP 69 4.016 14.728 25.519 567 HZ2 TRP 69 HZ2 TRP 69 5.695 10.615 27.633 568 HZ3 TRP 69 HZ3 TRP 69 4.759 12.845 24.129 569 HH2 TRP 69 HH2 TRP 69 5.599 10.789 25.185 570 H ARG 70 HN ARG 70 3.331 19.266 29.860 571 HA ARG 70 HA ARG 70 1.912 18.327 32.148 572 HB2 ARG 70 HB2 ARG 70 1.475 21.042 30.877 573 HB3 ARG 70 HB1 ARG 70 1.505 20.633 32.588 574 HG2 ARG 70 HG2 ARG 70 3.881 20.662 30.701 575 HG3 ARG 70 HG1 ARG 70 3.580 21.785 32.022 576 HD2 ARG 70 HD2 ARG 70 3.661 19.864 33.623 577 HD3 ARG 70 HD1 ARG 70 4.072 18.799 32.280 578 HE ARG 70 HE ARG 70 6.228 19.872 32.137 579 HH11 ARG 70 HH11 ARG 70 6.129 19.452 35.049 580 HH12 ARG 70 HH12 ARG 70 6.484 21.023 35.688 581 HH21 ARG 70 HH21 ARG 70 5.788 22.634 32.655 582 HH22 ARG 70 HH22 ARG 70 6.286 22.872 34.296 583 H LYS 71 HN LYS 71 -0.288 18.067 32.446 584 HA LYS 71 HA LYS 71 -1.846 17.740 29.986 585 HB2 LYS 71 HB2 LYS 71 -1.880 16.071 31.921 586 HB3 LYS 71 HB1 LYS 71 -2.714 17.289 32.878 587 HG2 LYS 71 HG2 LYS 71 -3.903 16.847 30.212 588 HG3 LYS 71 HG1 LYS 71 -3.971 15.436 31.263 589 HD2 LYS 71 HD2 LYS 71 -4.784 18.176 32.249 590 HD3 LYS 71 HD1 LYS 71 -5.927 17.121 31.427 591 HE2 LYS 71 HE2 LYS 71 -5.177 15.312 33.120 592 HE3 LYS 71 HE1 LYS 71 -4.476 16.641 34.033 593 HZ1 LYS 71 HZ1 LYS 71 -7.316 16.481 33.195 594 HZ2 LYS 71 HZ2 LYS 71 -6.616 17.682 34.170 595 HZ3 LYS 71 HZ3 LYS 71 -6.735 16.088 34.741 596 H LYS 72 HN LYS 72 -4.107 18.535 29.916 597 HA LYS 72 HA LYS 72 -4.919 20.750 31.576 598 HB2 LYS 72 HB2 LYS 72 -3.261 22.063 30.409 599 HB3 LYS 72 HB1 LYS 72 -3.632 21.303 28.865 600 HG2 LYS 72 HG2 LYS 72 -5.385 22.708 28.466 601 HG3 LYS 72 HG1 LYS 72 -5.953 22.617 30.129 602 HD2 LYS 72 HD2 LYS 72 -5.214 24.896 29.686 603 HD3 LYS 72 HD1 LYS 72 -4.079 24.144 30.801 604 HE2 LYS 72 HE2 LYS 72 -3.321 23.614 28.045 605 HE3 LYS 72 HE1 LYS 72 -3.462 25.345 28.331 606 HZ1 LYS 72 HZ1 LYS 72 -1.655 25.346 29.591 607 HZ2 LYS 72 HZ2 LYS 72 -1.335 23.796 28.974 608 HZ3 LYS 72 HZ3 LYS 72 -2.136 23.968 30.461
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