NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15086 | 1xhh | 5565 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 1HT GLN 1 -3.621 -1.876 -15.043 2 2H GLN 1 2HT GLN 1 -3.393 -0.984 -13.615 3 3H GLN 1 3HT GLN 1 -4.776 -1.952 -13.803 4 HA GLN 1 HA GLN 1 -3.691 -3.545 -12.727 5 1HB GLN 1 2HB GLN 1 -3.380 -4.104 -15.231 6 2HB GLN 1 1HB GLN 1 -1.713 -3.572 -15.009 7 1HG GLN 1 2HG GLN 1 -1.663 -5.917 -14.621 8 2HG GLN 1 1HG GLN 1 -1.632 -5.189 -13.015 9 1HE2 GLN 1 1HE2 GLN 1 -4.708 -4.623 -14.142 10 2HE2 GLN 1 2HE2 GLN 1 -5.493 -5.993 -13.519 11 H CYS 2 H CYS 2 -2.619 -2.970 -10.888 12 HA CYS 2 HA CYS 2 -0.914 -2.170 -9.487 13 1HB CYS 2 2HB CYS 2 0.284 -4.017 -10.740 14 2HB CYS 2 1HB CYS 2 0.888 -2.784 -11.846 15 H TYR 3 H TYR 3 0.876 -0.449 -9.377 16 HA TYR 3 HA TYR 3 0.756 1.575 -11.526 17 1HB TYR 3 2HB TYR 3 0.129 3.373 -9.914 18 2HB TYR 3 1HB TYR 3 -1.160 2.188 -10.135 19 HD1 TYR 3 1HD TYR 3 -1.269 0.222 -8.454 20 HD2 TYR 3 2HD TYR 3 0.966 3.825 -7.760 21 HE1 TYR 3 1HE TYR 3 -1.252 -0.257 -6.021 22 HE2 TYR 3 2HE TYR 3 0.982 3.346 -5.326 23 HH TYR 3 HH TYR 3 -0.820 0.611 -3.982 24 H PHE 4 H PHE 4 2.295 3.444 -10.933 25 HA PHE 4 HA PHE 4 4.402 2.637 -9.005 26 1HB PHE 4 2HB PHE 4 6.180 2.851 -10.641 27 2HB PHE 4 1HB PHE 4 5.006 1.683 -11.250 28 HD1 PHE 4 1HD PHE 4 6.789 4.687 -11.968 29 HD2 PHE 4 2HD PHE 4 3.111 2.623 -12.781 30 HE1 PHE 4 1HE PHE 4 6.462 6.072 -13.999 31 HE2 PHE 4 2HE PHE 4 2.783 4.008 -14.811 32 HZ PHE 4 HZ PHE 4 4.457 5.733 -15.421 33 H ILE 5 H ILE 5 4.953 4.393 -7.839 34 HA ILE 5 HA ILE 5 4.416 7.091 -9.009 35 HB ILE 5 HB ILE 5 4.703 6.355 -6.088 36 1HG1 ILE 5 2HG1 ILE 5 2.180 6.805 -7.715 37 2HG1 ILE 5 1HG1 ILE 5 2.750 5.232 -7.157 38 1HG2 ILE 5 1HG2 ILE 5 3.511 8.802 -7.424 39 2HG2 ILE 5 2HG2 ILE 5 5.138 8.735 -6.745 40 3HG2 ILE 5 3HG2 ILE 5 3.734 8.551 -5.694 41 1HD1 ILE 5 1HD1 ILE 5 1.048 6.130 -5.621 42 2HD1 ILE 5 2HD1 ILE 5 2.024 7.578 -5.377 43 3HD1 ILE 5 3HD1 ILE 5 2.613 6.014 -4.816 44 HA PRO 6 HA PRO 6 8.884 7.519 -9.097 45 1HB PRO 6 2HB PRO 6 8.686 10.385 -8.899 46 2HB PRO 6 1HB PRO 6 9.022 9.409 -10.331 47 1HG PRO 6 2HG PRO 6 6.606 10.831 -9.676 48 2HG PRO 6 1HG PRO 6 6.968 9.905 -11.135 49 1HD PRO 6 2HD PRO 6 5.153 9.199 -9.033 50 2HD PRO 6 1HD PRO 6 5.602 8.218 -10.451 51 H ASN 7 H ASN 7 10.390 7.539 -7.447 52 HA ASN 7 HA ASN 7 9.670 7.794 -4.741 53 1HB ASN 7 2HB ASN 7 11.846 6.846 -5.871 54 2HB ASN 7 1HB ASN 7 12.459 8.483 -5.639 55 1HD2 ASN 7 1HD2 ASN 7 11.667 9.292 -3.207 56 2HD2 ASN 7 2HD2 ASN 7 12.100 8.197 -1.983 57 H GLN 8 H GLN 8 8.707 9.646 -3.992 58 HA GLN 8 HA GLN 8 9.528 12.284 -4.930 59 1HB GLN 8 2HB GLN 8 7.812 13.146 -3.484 60 2HB GLN 8 1HB GLN 8 7.173 11.678 -4.221 61 1HG GLN 8 2HG GLN 8 8.350 11.926 -1.434 62 2HG GLN 8 1HG GLN 8 6.655 11.668 -1.839 63 1HE2 GLN 8 1HE2 GLN 8 9.558 10.047 -1.083 64 2HE2 GLN 8 2HE2 GLN 8 9.099 8.491 -1.584 65 H SER 9 H SER 9 10.478 10.162 -2.370 66 HA SER 9 HA SER 9 11.415 12.079 -0.472 67 1HB SER 9 2HB SER 9 12.835 9.470 -0.986 68 2HB SER 9 1HB SER 9 12.572 10.299 0.546 69 HG SER 9 HG SER 9 10.298 9.879 0.202 70 H LEU 10 H LEU 10 13.166 13.415 -0.521 71 HA LEU 10 HA LEU 10 14.826 13.472 -2.940 72 1HB LEU 10 2HB LEU 10 14.928 15.164 -0.423 73 2HB LEU 10 1HB LEU 10 15.818 15.490 -1.910 74 HG LEU 10 HG LEU 10 12.823 15.166 -1.984 75 1HD1 LEU 10 1HD1 LEU 10 13.043 16.852 -0.315 76 2HD1 LEU 10 2HD1 LEU 10 12.776 17.723 -1.825 77 3HD1 LEU 10 3HD1 LEU 10 14.401 17.606 -1.149 78 1HD2 LEU 10 1HD2 LEU 10 13.156 16.804 -3.889 79 2HD2 LEU 10 2HD2 LEU 10 13.924 15.236 -4.132 80 3HD2 LEU 10 3HD2 LEU 10 14.894 16.629 -3.650 81 H LYS 11 H LYS 11 14.928 11.647 -0.203 82 HA LYS 11 HA LYS 11 17.889 11.720 0.071 83 1HB LYS 11 2HB LYS 11 15.633 10.651 1.740 84 2HB LYS 11 1HB LYS 11 17.255 9.997 1.955 85 1HG LYS 11 2HG LYS 11 16.912 12.978 1.899 86 2HG LYS 11 1HG LYS 11 16.448 12.104 3.358 87 1HD LYS 11 2HD LYS 11 18.703 11.058 3.424 88 2HD LYS 11 1HD LYS 11 19.164 12.006 2.010 89 1HE LYS 11 2HE LYS 11 18.505 12.987 4.787 90 2HE LYS 11 1HE LYS 11 19.967 13.273 3.842 91 1HZ LYS 11 1HZ LYS 11 17.329 14.528 3.620 92 2HZ LYS 11 2HZ LYS 11 18.253 14.348 2.206 93 3HZ LYS 11 3HZ LYS 11 18.870 15.228 3.522 94 HA PRO 12 HA PRO 12 17.640 8.173 -2.783 95 1HB PRO 12 2HB PRO 12 20.498 7.874 -2.548 96 2HB PRO 12 1HB PRO 12 19.571 8.511 -3.908 97 1HG PRO 12 2HG PRO 12 21.237 9.966 -2.101 98 2HG PRO 12 1HG PRO 12 20.262 10.606 -3.426 99 1HD PRO 12 2HD PRO 12 19.792 10.847 -0.576 100 2HD PRO 12 1HD PRO 12 18.855 11.562 -1.914 101 H ASN 13 H ASN 13 16.890 7.591 -0.197 102 HA ASN 13 HA ASN 13 17.851 4.908 0.142 103 1HB ASN 13 2HB ASN 13 19.744 6.349 1.125 104 2HB ASN 13 1HB ASN 13 18.605 6.759 2.408 105 1HD2 ASN 13 1HD2 ASN 13 21.142 4.829 2.067 106 2HD2 ASN 13 2HD2 ASN 13 20.632 3.441 2.901 107 H GLU 14 H GLU 14 15.327 6.179 -0.124 108 HA GLU 14 HA GLU 14 14.039 5.196 2.349 109 1HB GLU 14 2HB GLU 14 13.848 8.030 1.325 110 2HB GLU 14 1HB GLU 14 12.575 7.318 2.318 111 1HG GLU 14 2HG GLU 14 14.273 6.773 4.049 112 2HG GLU 14 1HG GLU 14 15.495 7.587 3.073 113 H CYS 15 H CYS 15 11.543 5.470 2.008 114 HA CYS 15 HA CYS 15 10.683 5.295 -0.801 115 1HB CYS 15 2HB CYS 15 10.770 2.910 1.045 116 2HB CYS 15 1HB CYS 15 9.562 3.012 -0.236 117 H GLN 16 H GLN 16 8.930 6.623 -0.702 118 HA GLN 16 HA GLN 16 6.937 6.145 1.472 119 1HB GLN 16 2HB GLN 16 8.098 8.095 2.223 120 2HB GLN 16 1HB GLN 16 8.128 8.786 0.602 121 1HG GLN 16 2HG GLN 16 5.797 9.245 0.635 122 2HG GLN 16 1HG GLN 16 5.531 8.198 2.029 123 1HE2 GLN 16 1HE2 GLN 16 4.933 9.601 3.708 124 2HE2 GLN 16 2HE2 GLN 16 5.792 10.998 4.145 125 H ASP 17 H ASP 17 4.767 6.615 0.870 126 HA ASP 17 HA ASP 17 4.177 7.629 -1.815 127 1HB ASP 17 2HB ASP 17 3.654 4.729 -1.091 128 2HB ASP 17 1HB ASP 17 2.928 5.549 -2.473 129 H LEU 18 H LEU 18 1.927 8.172 -2.002 130 HA LEU 18 HA LEU 18 -0.089 8.962 -1.080 131 1HB LEU 18 2HB LEU 18 0.036 6.433 0.583 132 2HB LEU 18 1HB LEU 18 -1.404 7.311 0.066 133 HG LEU 18 HG LEU 18 0.556 5.942 -1.800 134 1HD1 LEU 18 1HD1 LEU 18 -1.373 4.372 -2.167 135 2HD1 LEU 18 2HD1 LEU 18 -2.197 5.144 -0.812 136 3HD1 LEU 18 3HD1 LEU 18 -0.684 4.278 -0.547 137 1HD2 LEU 18 1HD2 LEU 18 -1.461 6.326 -3.386 138 2HD2 LEU 18 2HD2 LEU 18 -0.450 7.719 -3.004 139 3HD2 LEU 18 3HD2 LEU 18 -2.000 7.506 -2.191 140 H LYS 19 H LYS 19 -0.889 8.165 1.733 141 HA LYS 19 HA LYS 19 0.973 10.021 3.172 142 1HB LYS 19 2HB LYS 19 -1.649 10.485 2.706 143 2HB LYS 19 1HB LYS 19 -1.789 9.571 4.205 144 1HG LYS 19 2HG LYS 19 -1.545 11.736 5.026 145 2HG LYS 19 1HG LYS 19 0.132 11.191 5.021 146 1HD LYS 19 2HD LYS 19 0.288 12.175 2.659 147 2HD LYS 19 1HD LYS 19 -1.253 12.960 2.998 148 1HE LYS 19 2HE LYS 19 -0.237 13.989 5.034 149 2HE LYS 19 1HE LYS 19 1.314 13.283 4.577 150 1HZ LYS 19 1HZ LYS 19 0.860 15.657 3.854 151 2HZ LYS 19 2HZ LYS 19 -0.221 14.998 2.722 152 3HZ LYS 19 3HZ LYS 19 1.427 14.588 2.665 153 H GLY 20 H GLY 20 -0.042 6.819 2.973 154 1HA GLY 20 2HA GLY 20 0.380 6.324 5.884 155 2HA GLY 20 1HA GLY 20 -0.345 5.186 4.754 156 H VAL 21 H VAL 21 1.715 5.509 2.701 157 HA VAL 21 HA VAL 21 3.624 3.601 3.774 158 HB VAL 21 HB VAL 21 3.862 5.109 1.169 159 1HG1 VAL 21 1HG1 VAL 21 4.618 2.250 1.770 160 2HG1 VAL 21 2HG1 VAL 21 5.721 3.580 2.123 161 3HG1 VAL 21 3HG1 VAL 21 5.195 3.287 0.465 162 1HG2 VAL 21 1HG2 VAL 21 2.606 3.076 0.248 163 2HG2 VAL 21 2HG2 VAL 21 1.634 4.243 1.146 164 3HG2 VAL 21 3HG2 VAL 21 2.138 2.737 1.913 165 H SER 22 H SER 22 5.816 3.951 4.262 166 HA SER 22 HA SER 22 7.394 6.187 3.727 167 1HB SER 22 2HB SER 22 6.152 7.799 4.808 168 2HB SER 22 1HB SER 22 5.423 6.639 5.915 169 HG SER 22 HG SER 22 6.988 6.990 7.273 170 H HIS 23 H HIS 23 8.979 4.532 3.837 171 HA HIS 23 HA HIS 23 9.951 3.998 6.569 172 1HB HIS 23 2HB HIS 23 10.265 1.490 5.401 173 2HB HIS 23 1HB HIS 23 9.053 1.910 6.610 174 HD1 HIS 23 1HD HIS 23 6.663 1.707 5.900 175 HD2 HIS 23 2HD HIS 23 9.234 1.914 2.625 176 HE1 HIS 23 1HE HIS 23 5.233 1.341 3.842 177 HA PRO 24 HA PRO 24 13.903 4.563 4.694 178 1HB PRO 24 2HB PRO 24 15.153 2.266 5.896 179 2HB PRO 24 1HB PRO 24 15.263 3.955 6.394 180 1HG PRO 24 2HG PRO 24 13.825 1.808 7.672 181 2HG PRO 24 1HG PRO 24 14.009 3.478 8.214 182 1HD PRO 24 2HD PRO 24 11.636 2.247 7.193 183 2HD PRO 24 1HD PRO 24 11.870 3.964 7.604 184 H LEU 25 H LEU 25 15.333 3.680 3.057 185 HA LEU 25 HA LEU 25 14.084 1.765 1.299 186 1HB LEU 25 2HB LEU 25 15.448 3.578 0.395 187 2HB LEU 25 1HB LEU 25 16.854 3.001 1.286 188 HG LEU 25 HG LEU 25 16.769 0.873 -0.005 189 1HD1 LEU 25 1HD1 LEU 25 14.401 2.269 -1.249 190 2HD1 LEU 25 2HD1 LEU 25 14.507 0.618 -0.636 191 3HD1 LEU 25 3HD1 LEU 25 15.307 1.050 -2.146 192 1HD2 LEU 25 1HD2 LEU 25 17.437 1.890 -2.205 193 2HD2 LEU 25 2HD2 LEU 25 18.218 2.644 -0.815 194 3HD2 LEU 25 3HD2 LEU 25 16.860 3.446 -1.607 195 H ASN 26 H ASN 26 14.976 -0.352 0.730 196 HA ASN 26 HA ASN 26 17.096 -1.468 2.396 197 1HB ASN 26 2HB ASN 26 14.295 -2.611 2.581 198 2HB ASN 26 1HB ASN 26 15.732 -3.227 3.398 199 1HD2 ASN 26 1HD2 ASN 26 16.417 -2.165 5.330 200 2HD2 ASN 26 2HD2 ASN 26 15.576 -0.859 6.017 201 H SER 27 H SER 27 14.329 -2.546 0.385 202 HA SER 27 HA SER 27 15.945 -3.393 -1.811 203 1HB SER 27 2HB SER 27 15.651 -5.903 -1.408 204 2HB SER 27 1HB SER 27 16.870 -5.104 -0.423 205 HG SER 27 HG SER 27 15.664 -5.382 1.301 206 H VAL 28 H VAL 28 14.425 -5.642 -2.629 207 HA VAL 28 HA VAL 28 11.741 -4.380 -2.967 208 HB VAL 28 HB VAL 28 11.697 -5.995 -4.978 209 1HG1 VAL 28 1HG1 VAL 28 12.724 -4.370 -6.375 210 2HG1 VAL 28 2HG1 VAL 28 13.869 -3.903 -5.120 211 3HG1 VAL 28 3HG1 VAL 28 12.171 -3.460 -4.971 212 1HG2 VAL 28 1HG2 VAL 28 14.676 -5.978 -4.421 213 2HG2 VAL 28 2HG2 VAL 28 13.874 -6.735 -5.797 214 3HG2 VAL 28 3HG2 VAL 28 13.621 -7.368 -4.172 215 H TRP 29 H TRP 29 10.041 -5.435 -2.058 216 HA TRP 29 HA TRP 29 10.408 -8.315 -1.307 217 1HB TRP 29 2HB TRP 29 8.758 -7.758 0.562 218 2HB TRP 29 1HB TRP 29 10.372 -7.066 0.731 219 HD1 TRP 29 HD TRP 29 6.763 -6.130 -0.030 220 HE1 TRP 29 1HE TRP 29 6.515 -3.567 0.101 221 HE3 TRP 29 3HE TRP 29 11.666 -4.794 0.475 222 HZ2 TRP 29 2HZ TRP 29 8.177 -1.257 0.384 223 HZ3 TRP 29 3HZ TRP 29 12.305 -2.408 0.673 224 HH2 TRP 29 HH TRP 29 10.569 -0.639 0.628 225 H LYS 30 H LYS 30 8.552 -9.655 -1.537 226 HA LYS 30 HA LYS 30 6.138 -8.464 -2.784 227 1HB LYS 30 2HB LYS 30 7.520 -10.833 -4.062 228 2HB LYS 30 1HB LYS 30 6.196 -9.866 -4.713 229 1HG LYS 30 2HG LYS 30 7.742 -7.883 -4.737 230 2HG LYS 30 1HG LYS 30 9.056 -8.965 -4.274 231 1HD LYS 30 2HD LYS 30 8.423 -10.373 -6.314 232 2HD LYS 30 1HD LYS 30 7.429 -9.007 -6.821 233 1HE LYS 30 2HE LYS 30 9.430 -7.538 -6.711 234 2HE LYS 30 1HE LYS 30 10.412 -8.938 -6.280 235 1HZ LYS 30 1HZ LYS 30 9.104 -8.300 -8.832 236 2HZ LYS 30 2HZ LYS 30 9.359 -9.928 -8.418 237 3HZ LYS 30 3HZ LYS 30 10.677 -8.863 -8.541 238 H THR 31 H THR 31 4.596 -9.206 -1.399 239 HA THR 31 HA THR 31 4.786 -11.429 0.314 240 HB THR 31 HB THR 31 2.405 -11.254 0.608 241 HG1 THR 31 1HG THR 31 2.165 -9.581 -1.621 242 1HG2 THR 31 1HG2 THR 31 3.513 -8.539 -0.159 243 2HG2 THR 31 2HG2 THR 31 3.717 -9.323 1.408 244 3HG2 THR 31 3HG2 THR 31 2.112 -8.823 0.873 245 H LYS 32 H LYS 32 3.608 -13.530 0.144 246 HA LYS 32 HA LYS 32 4.199 -14.814 -2.398 247 1HB LYS 32 2HB LYS 32 4.472 -16.014 -0.262 248 2HB LYS 32 1HB LYS 32 2.742 -15.866 0.046 249 1HG LYS 32 2HG LYS 32 2.181 -17.307 -1.747 250 2HG LYS 32 1HG LYS 32 3.782 -17.165 -2.473 251 1HD LYS 32 2HD LYS 32 3.504 -19.341 -1.325 252 2HD LYS 32 1HD LYS 32 4.767 -18.370 -0.568 253 1HE LYS 32 2HE LYS 32 3.354 -17.762 1.250 254 2HE LYS 32 1HE LYS 32 1.909 -18.327 0.413 255 1HZ LYS 32 1HZ LYS 32 2.740 -20.581 0.550 256 2HZ LYS 32 2HZ LYS 32 2.648 -19.898 2.102 257 3HZ LYS 32 3HZ LYS 32 4.151 -20.048 1.324 258 H ASP 33 H ASP 33 1.348 -13.499 -0.841 259 HA ASP 33 HA ASP 33 -0.138 -13.509 -3.310 260 1HB ASP 33 2HB ASP 33 -0.261 -15.948 -2.636 261 2HB ASP 33 1HB ASP 33 -1.152 -15.435 -1.203 262 H CYS 34 H CYS 34 0.289 -11.366 -1.804 263 HA CYS 34 HA CYS 34 -2.387 -10.763 -0.711 264 1HB CYS 34 2HB CYS 34 0.157 -10.617 0.917 265 2HB CYS 34 1HB CYS 34 -1.282 -9.685 1.331 266 H GLU 35 H GLU 35 0.912 -9.441 -1.055 267 HA GLU 35 HA GLU 35 -0.180 -7.202 -2.638 268 1HB GLU 35 2HB GLU 35 -0.427 -6.314 -0.398 269 2HB GLU 35 1HB GLU 35 1.209 -6.810 0.028 270 1HG GLU 35 2HG GLU 35 2.195 -5.189 -1.395 271 2HG GLU 35 1HG GLU 35 0.683 -4.912 -2.261 272 H GLU 36 H GLU 36 1.658 -5.806 -3.456 273 HA GLU 36 HA GLU 36 4.297 -7.175 -3.452 274 1HB GLU 36 2HB GLU 36 2.720 -6.434 -5.937 275 2HB GLU 36 1HB GLU 36 4.416 -6.917 -5.941 276 1HG GLU 36 2HG GLU 36 3.694 -9.049 -4.759 277 2HG GLU 36 1HG GLU 36 2.029 -8.579 -5.107 278 H CYS 37 H CYS 37 5.922 -5.673 -3.300 279 HA CYS 37 HA CYS 37 5.477 -2.941 -4.324 280 1HB CYS 37 2HB CYS 37 5.576 -3.676 -1.445 281 2HB CYS 37 1HB CYS 37 6.507 -2.255 -1.920 282 H THR 38 H THR 38 7.350 -2.056 -5.073 283 HA THR 38 HA THR 38 9.935 -3.325 -4.273 284 HB THR 38 HB THR 38 10.659 -3.157 -6.643 285 HG1 THR 38 1HG THR 38 9.043 -1.481 -7.086 286 1HG2 THR 38 1HG2 THR 38 9.409 -5.059 -7.459 287 2HG2 THR 38 2HG2 THR 38 8.066 -4.694 -6.378 288 3HG2 THR 38 3HG2 THR 38 9.605 -5.242 -5.717 289 H CYS 39 H CYS 39 11.702 -1.866 -4.230 290 HA CYS 39 HA CYS 39 10.927 1.019 -4.443 291 1HB CYS 39 2HB CYS 39 12.765 -0.498 -2.624 292 2HB CYS 39 1HB CYS 39 13.150 1.183 -2.996 293 H GLY 40 H GLY 40 11.429 1.271 -6.665 294 1HA GLY 40 2HA GLY 40 14.011 0.420 -7.726 295 2HA GLY 40 1HA GLY 40 12.821 1.413 -8.571 296 H GLN 41 H GLN 41 15.870 1.629 -7.815 297 HA GLN 41 HA GLN 41 16.253 3.878 -6.157 298 1HB GLN 41 2HB GLN 41 17.806 3.013 -8.614 299 2HB GLN 41 1HB GLN 41 18.364 4.225 -7.459 300 1HG GLN 41 2HG GLN 41 18.397 2.606 -5.669 301 2HG GLN 41 1HG GLN 41 17.612 1.395 -6.682 302 1HE2 GLN 41 1HE2 GLN 41 20.347 1.322 -5.373 303 2HE2 GLN 41 2HE2 GLN 41 21.434 1.041 -6.646 304 H ASP 42 H ASP 42 14.513 3.732 -9.023 305 HA ASP 42 HA ASP 42 14.852 6.680 -9.458 306 1HB ASP 42 2HB ASP 42 15.625 5.160 -11.348 307 2HB ASP 42 1HB ASP 42 13.939 4.675 -11.534 308 H ALA 43 H ALA 43 12.667 4.026 -8.908 309 HA ALA 43 HA ALA 43 10.502 5.911 -8.343 310 1HB ALA 43 1HB ALA 43 10.222 5.706 -10.762 311 2HB ALA 43 2HB ALA 43 8.906 4.862 -9.947 312 3HB ALA 43 3HB ALA 43 10.245 3.947 -10.640 313 H ILE 44 H ILE 44 8.400 4.433 -7.927 314 HA ILE 44 HA ILE 44 9.287 1.944 -6.517 315 HB ILE 44 HB ILE 44 7.179 3.856 -5.481 316 1HG1 ILE 44 2HG1 ILE 44 10.122 3.634 -4.774 317 2HG1 ILE 44 1HG1 ILE 44 9.306 5.039 -5.461 318 1HG2 ILE 44 1HG2 ILE 44 8.756 1.748 -3.996 319 2HG2 ILE 44 2HG2 ILE 44 7.239 1.375 -4.815 320 3HG2 ILE 44 3HG2 ILE 44 7.265 2.547 -3.496 321 1HD1 ILE 44 1HD1 ILE 44 7.800 4.987 -3.387 322 2HD1 ILE 44 2HD1 ILE 44 9.469 5.494 -3.128 323 3HD1 ILE 44 3HD1 ILE 44 8.967 3.858 -2.699 324 H SER 45 H SER 45 8.145 0.209 -7.232 325 HA SER 45 HA SER 45 5.526 0.713 -8.591 326 1HB SER 45 2HB SER 45 6.793 -0.355 -10.207 327 2HB SER 45 1HB SER 45 7.742 -1.248 -9.022 328 HG SER 45 HG SER 45 6.414 -2.816 -9.447 329 H CYS 46 H CYS 46 3.750 0.037 -7.508 330 HA CYS 46 HA CYS 46 4.013 -2.297 -5.659 331 1HB CYS 46 2HB CYS 46 2.860 0.425 -5.087 332 2HB CYS 46 1HB CYS 46 2.261 -0.993 -4.228 333 H CYS 47 H CYS 47 2.319 -3.719 -5.746 334 HA CYS 47 HA CYS 47 -0.045 -2.947 -7.419 335 1HB CYS 47 2HB CYS 47 1.042 -5.754 -7.403 336 2HB CYS 47 1HB CYS 47 0.042 -4.958 -8.618 337 H ASN 48 H ASN 48 -1.944 -4.430 -6.982 338 HA ASN 48 HA ASN 48 -1.891 -5.662 -4.271 339 1HB ASN 48 2HB ASN 48 -3.959 -4.491 -3.633 340 2HB ASN 48 1HB ASN 48 -2.676 -3.329 -3.973 341 1HD2 ASN 48 1HD2 ASN 48 -2.662 -2.611 -6.437 342 2HD2 ASN 48 2HD2 ASN 48 -4.186 -2.294 -7.114 343 H THR 49 H THR 49 -2.997 -7.568 -4.278 344 HA THR 49 HA THR 49 -4.762 -8.141 -6.627 345 HB THR 49 HB THR 49 -3.369 -10.155 -4.848 346 HG1 THR 49 1HG THR 49 -1.632 -9.689 -5.894 347 1HG2 THR 49 1HG2 THR 49 -5.354 -10.863 -6.216 348 2HG2 THR 49 2HG2 THR 49 -3.858 -11.696 -6.640 349 3HG2 THR 49 3HG2 THR 49 -4.460 -10.389 -7.661 350 H ALA 50 H ALA 50 -4.564 -7.999 -3.153 351 HA ALA 50 HA ALA 50 -6.727 -9.676 -2.428 352 1HB ALA 50 1HB ALA 50 -5.184 -8.563 -0.812 353 2HB ALA 50 2HB ALA 50 -6.882 -8.332 -0.395 354 3HB ALA 50 3HB ALA 50 -5.976 -7.026 -1.159 355 H ALA 51 H ALA 51 -8.922 -8.851 -1.661 356 HA ALA 51 HA ALA 51 -10.420 -7.789 -3.793 357 1HB ALA 51 1HB ALA 51 -11.561 -8.927 -2.005 358 2HB ALA 51 2HB ALA 51 -12.153 -7.266 -2.013 359 3HB ALA 51 3HB ALA 51 -10.964 -7.773 -0.813 360 H ILE 52 H ILE 52 -11.584 -5.648 -3.825 361 HA ILE 52 HA ILE 52 -9.760 -3.474 -2.887 362 HB ILE 52 HB ILE 52 -11.770 -3.105 -5.090 363 1HG1 ILE 52 2HG1 ILE 52 -10.526 -5.203 -5.619 364 2HG1 ILE 52 1HG1 ILE 52 -10.156 -3.900 -6.744 365 1HG2 ILE 52 1HG2 ILE 52 -9.057 -1.942 -4.417 366 2HG2 ILE 52 2HG2 ILE 52 -10.618 -1.119 -4.401 367 3HG2 ILE 52 3HG2 ILE 52 -9.900 -1.617 -5.931 368 1HD1 ILE 52 1HD1 ILE 52 -8.123 -5.143 -5.963 369 2HD1 ILE 52 2HD1 ILE 52 -8.456 -4.580 -4.327 370 3HD1 ILE 52 3HD1 ILE 52 -8.071 -3.419 -5.596 371 HA PRO 53 HA PRO 53 -13.134 -2.292 -0.193 372 1HB PRO 53 2HB PRO 53 -12.341 0.475 -0.259 373 2HB PRO 53 1HB PRO 53 -12.076 -0.711 1.022 374 1HG PRO 53 2HG PRO 53 -10.146 0.382 -0.813 375 2HG PRO 53 1HG PRO 53 -9.876 -0.761 0.506 376 1HD PRO 53 2HD PRO 53 -9.779 -1.300 -2.305 377 2HD PRO 53 1HD PRO 53 -9.621 -2.470 -0.974 378 H THR 54 H THR 54 -15.200 -2.032 -0.909 379 HA THR 54 HA THR 54 -15.699 -0.134 -3.171 380 HB THR 54 HB THR 54 -17.628 -1.483 -3.722 381 HG1 THR 54 1HG THR 54 -17.050 -2.612 -1.222 382 1HG2 THR 54 1HG2 THR 54 -15.237 -2.263 -4.312 383 2HG2 THR 54 2HG2 THR 54 -16.539 -3.442 -4.463 384 3HG2 THR 54 3HG2 THR 54 -15.472 -3.482 -3.059 385 H GLY 55 H GLY 55 -18.296 0.417 -2.984 386 1HA GLY 55 2HA GLY 55 -19.835 1.772 -1.842 387 2HA GLY 55 1HA GLY 55 -19.439 0.805 -0.419 388 H TYR 56 H TYR 56 -16.598 2.094 -1.569 389 HA TYR 56 HA TYR 56 -16.531 4.069 0.609 390 1HB TYR 56 2HB TYR 56 -14.472 3.021 0.531 391 2HB TYR 56 1HB TYR 56 -14.542 2.785 -1.214 392 HD1 TYR 56 1HD TYR 56 -14.798 5.816 0.995 393 HD2 TYR 56 2HD TYR 56 -12.767 3.882 -2.261 394 HE1 TYR 56 1HE TYR 56 -13.403 7.839 0.663 395 HE2 TYR 56 2HE TYR 56 -11.372 5.905 -2.592 396 HH TYR 56 HH TYR 56 -12.072 8.804 -1.577 397 H ASP 57 H ASP 57 -17.539 5.982 0.140 398 HA ASP 57 HA ASP 57 -17.919 7.056 -2.470 399 1HB ASP 57 2HB ASP 57 -17.705 8.664 0.089 400 2HB ASP 57 1HB ASP 57 -18.610 9.081 -1.365 401 H THR 58 H THR 58 -16.281 7.632 -3.816 402 HA THR 58 HA THR 58 -13.615 8.225 -2.917 403 HB THR 58 HB THR 58 -13.123 8.686 -5.218 404 HG1 THR 58 1HG THR 58 -15.813 9.380 -5.237 405 1HG2 THR 58 1HG2 THR 58 -15.403 6.692 -5.186 406 2HG2 THR 58 2HG2 THR 58 -13.761 6.332 -4.650 407 3HG2 THR 58 3HG2 THR 58 -14.068 6.749 -6.337 408 H ASN 59 H ASN 59 -14.205 9.907 -1.285 409 HA ASN 59 HA ASN 59 -14.931 12.546 -2.449 410 1HB ASN 59 2HB ASN 59 -14.767 11.478 0.373 411 2HB ASN 59 1HB ASN 59 -14.909 13.205 0.043 412 1HD2 ASN 59 1HD2 ASN 59 -16.539 10.080 -0.703 413 2HD2 ASN 59 2HD2 ASN 59 -18.091 10.754 -0.837 414 H LYS 60 H LYS 60 -12.507 11.310 -0.106 415 HA LYS 60 HA LYS 60 -10.305 12.544 -1.500 416 1HB LYS 60 2HB LYS 60 -11.542 14.538 -0.468 417 2HB LYS 60 1HB LYS 60 -11.046 13.898 1.100 418 1HG LYS 60 2HG LYS 60 -8.712 14.095 0.526 419 2HG LYS 60 1HG LYS 60 -9.102 14.489 -1.148 420 1HD LYS 60 2HD LYS 60 -8.534 16.532 0.088 421 2HD LYS 60 1HD LYS 60 -10.233 16.559 -0.386 422 1HE LYS 60 2HE LYS 60 -9.460 15.438 2.296 423 2HE LYS 60 1HE LYS 60 -9.575 17.185 2.079 424 1HZ LYS 60 1HZ LYS 60 -11.789 17.101 1.911 425 2HZ LYS 60 2HZ LYS 60 -11.647 15.584 2.664 426 3HZ LYS 60 3HZ LYS 60 -11.781 15.688 0.973 427 H CYS 61 H CYS 61 -10.460 10.007 -0.690 428 HA CYS 61 HA CYS 61 -8.708 9.891 1.743 429 1HB CYS 61 2HB CYS 61 -10.584 7.678 0.895 430 2HB CYS 61 1HB CYS 61 -9.755 7.874 2.435 431 H GLN 62 H GLN 62 -7.598 7.586 1.712 432 HA GLN 62 HA GLN 62 -6.703 6.974 -1.078 433 1HB GLN 62 2HB GLN 62 -4.981 7.377 1.386 434 2HB GLN 62 1HB GLN 62 -4.391 6.667 -0.117 435 1HG GLN 62 2HG GLN 62 -4.604 8.670 -1.306 436 2HG GLN 62 1HG GLN 62 -5.798 9.325 -0.185 437 1HE2 GLN 62 1HE2 GLN 62 -4.892 9.733 2.130 438 2HE2 GLN 62 2HE2 GLN 62 -3.307 10.328 2.233 439 H LYS 63 H LYS 63 -6.036 4.765 -1.374 440 HA LYS 63 HA LYS 63 -7.020 2.937 0.785 441 1HB LYS 63 2HB LYS 63 -6.594 2.169 -2.106 442 2HB LYS 63 1HB LYS 63 -7.592 1.367 -0.895 443 1HG LYS 63 2HG LYS 63 -9.293 2.512 -1.920 444 2HG LYS 63 1HG LYS 63 -8.745 3.832 -0.890 445 1HD LYS 63 2HD LYS 63 -8.907 4.696 -3.134 446 2HD LYS 63 1HD LYS 63 -7.193 4.536 -2.755 447 1HE LYS 63 2HE LYS 63 -6.879 2.847 -4.279 448 2HE LYS 63 1HE LYS 63 -8.478 2.156 -4.003 449 1HZ LYS 63 1HZ LYS 63 -7.815 3.542 -6.177 450 2HZ LYS 63 2HZ LYS 63 -8.442 4.791 -5.211 451 3HZ LYS 63 3HZ LYS 63 -9.399 3.436 -5.579 452 H ILE 64 H ILE 64 -5.600 1.482 1.652 453 HA ILE 64 HA ILE 64 -2.976 1.064 0.297 454 HB ILE 64 HB ILE 64 -3.486 2.120 3.068 455 1HG1 ILE 64 2HG1 ILE 64 -1.287 2.700 1.065 456 2HG1 ILE 64 1HG1 ILE 64 -2.819 3.571 1.100 457 1HG2 ILE 64 1HG2 ILE 64 -1.217 0.334 2.182 458 2HG2 ILE 64 2HG2 ILE 64 -2.206 0.209 3.638 459 3HG2 ILE 64 3HG2 ILE 64 -1.012 1.498 3.491 460 1HD1 ILE 64 1HD1 ILE 64 -0.849 4.622 2.388 461 2HD1 ILE 64 2HD1 ILE 64 -1.086 3.327 3.561 462 3HD1 ILE 64 3HD1 ILE 64 -2.383 4.480 3.246 463 H LEU 65 H LEU 65 -2.342 -1.059 0.367 464 HA LEU 65 HA LEU 65 -4.129 -2.949 1.777 465 1HB LEU 65 2HB LEU 65 -3.327 -3.200 -0.667 466 2HB LEU 65 1HB LEU 65 -1.784 -3.691 0.028 467 HG LEU 65 HG LEU 65 -4.424 -4.981 0.767 468 1HD1 LEU 65 1HD1 LEU 65 -4.166 -5.507 -1.526 469 2HD1 LEU 65 2HD1 LEU 65 -3.467 -6.887 -0.680 470 3HD1 LEU 65 3HD1 LEU 65 -2.416 -5.657 -1.382 471 1HD2 LEU 65 1HD2 LEU 65 -1.531 -5.442 1.429 472 2HD2 LEU 65 2HD2 LEU 65 -2.600 -6.840 1.316 473 3HD2 LEU 65 3HD2 LEU 65 -2.949 -5.554 2.470 474 H ASN 66 H ASN 66 -3.592 -3.563 3.798 475 HA ASN 66 HA ASN 66 -0.900 -3.122 4.849 476 1HB ASN 66 2HB ASN 66 -3.046 -2.851 6.177 477 2HB ASN 66 1HB ASN 66 -3.195 -4.609 6.156 478 1HD2 ASN 66 1HD2 ASN 66 -0.541 -2.234 6.822 479 2HD2 ASN 66 2HD2 ASN 66 0.004 -3.026 8.220 480 H LYS 67 H LYS 67 0.617 -4.534 4.034 481 HA LYS 67 HA LYS 67 0.010 -7.296 3.399 482 1HB LYS 67 2HB LYS 67 2.482 -7.499 3.094 483 2HB LYS 67 1HB LYS 67 1.793 -6.143 2.204 484 1HG LYS 67 2HG LYS 67 3.377 -4.869 3.217 485 2HG LYS 67 1HG LYS 67 2.394 -5.013 4.672 486 1HD LYS 67 2HD LYS 67 3.650 -7.154 5.189 487 2HD LYS 67 1HD LYS 67 4.737 -6.750 3.861 488 1HE LYS 67 2HE LYS 67 5.008 -4.461 5.047 489 2HE LYS 67 1HE LYS 67 4.313 -5.268 6.452 490 1HZ LYS 67 1HZ LYS 67 6.336 -6.033 6.868 491 2HZ LYS 67 2HZ LYS 67 6.939 -5.460 5.388 492 3HZ LYS 67 3HZ LYS 67 6.216 -6.996 5.477 493 H LYS 68 H LYS 68 0.459 -5.734 6.330 494 HA LYS 68 HA LYS 68 2.066 -7.563 7.792 495 1HB LYS 68 2HB LYS 68 0.867 -5.238 8.428 496 2HB LYS 68 1HB LYS 68 -0.296 -6.347 9.156 497 1HG LYS 68 2HG LYS 68 1.561 -7.459 10.377 498 2HG LYS 68 1HG LYS 68 2.687 -6.284 9.697 499 1HD LYS 68 2HD LYS 68 0.285 -5.595 11.418 500 2HD LYS 68 1HD LYS 68 1.954 -5.644 11.985 501 1HE LYS 68 2HE LYS 68 2.362 -3.993 9.954 502 2HE LYS 68 1HE LYS 68 0.636 -3.679 10.140 503 1HZ LYS 68 1HZ LYS 68 2.672 -2.583 11.616 504 2HZ LYS 68 2HZ LYS 68 1.961 -3.723 12.656 505 3HZ LYS 68 3HZ LYS 68 1.014 -2.497 11.960 506 H THR 69 H THR 69 -1.481 -7.472 7.362 507 HA THR 69 HA THR 69 -1.524 -10.407 7.958 508 HB THR 69 HB THR 69 -3.834 -9.926 8.970 509 HG1 THR 69 1HG THR 69 -2.815 -7.374 8.515 510 1HG2 THR 69 1HG2 THR 69 -1.348 -8.841 10.324 511 2HG2 THR 69 2HG2 THR 69 -1.897 -10.517 10.346 512 3HG2 THR 69 3HG2 THR 69 -2.847 -9.267 11.150 513 H CYS 70 H CYS 70 -1.526 -8.784 5.417 514 HA CYS 70 HA CYS 70 -2.680 -8.752 3.371 515 1HB CYS 70 2HB CYS 70 -3.932 -11.262 4.530 516 2HB CYS 70 1HB CYS 70 -3.893 -10.812 2.825 517 H THR 71 H THR 71 -3.831 -6.811 4.344 518 HA THR 71 HA THR 71 -6.755 -7.310 4.260 519 HB THR 71 HB THR 71 -7.231 -6.415 6.345 520 HG1 THR 71 1HG THR 71 -6.330 -4.612 6.864 521 1HG2 THR 71 1HG2 THR 71 -5.822 -8.459 6.631 522 2HG2 THR 71 2HG2 THR 71 -5.696 -7.344 7.991 523 3HG2 THR 71 3HG2 THR 71 -4.406 -7.421 6.792 524 H TYR 72 H TYR 72 -7.948 -5.187 4.023 525 HA TYR 72 HA TYR 72 -6.263 -3.267 2.467 526 1HB TYR 72 2HB TYR 72 -8.691 -4.603 1.837 527 2HB TYR 72 1HB TYR 72 -9.091 -2.899 2.038 528 HD1 TYR 72 1HD TYR 72 -7.715 -5.352 -0.164 529 HD2 TYR 72 2HD TYR 72 -7.541 -1.178 0.838 530 HE1 TYR 72 1HE TYR 72 -6.745 -4.858 -2.392 531 HE2 TYR 72 2HE TYR 72 -6.570 -0.685 -1.391 532 HH TYR 72 HH TYR 72 -5.107 -2.356 -3.170 533 H THR 73 H THR 73 -5.955 -1.322 3.386 534 HA THR 73 HA THR 73 -7.904 -0.401 5.466 535 HB THR 73 HB THR 73 -6.079 0.736 6.555 536 HG1 THR 73 1HG THR 73 -4.142 -0.241 4.853 537 1HG2 THR 73 1HG2 THR 73 -6.281 -1.663 7.044 538 2HG2 THR 73 2HG2 THR 73 -4.590 -1.167 7.084 539 3HG2 THR 73 3HG2 THR 73 -5.220 -2.037 5.686 540 H VAL 74 H VAL 74 -7.878 2.081 5.643 541 HA VAL 74 HA VAL 74 -7.320 3.467 3.085 542 HB VAL 74 HB VAL 74 -10.070 3.651 4.330 543 1HG1 VAL 74 1HG1 VAL 74 -9.068 5.419 2.732 544 2HG1 VAL 74 2HG1 VAL 74 -10.660 4.776 2.334 545 3HG1 VAL 74 3HG1 VAL 74 -9.233 4.189 1.480 546 1HG2 VAL 74 1HG2 VAL 74 -9.124 1.835 2.089 547 2HG2 VAL 74 2HG2 VAL 74 -10.816 2.148 2.469 548 3HG2 VAL 74 3HG2 VAL 74 -9.789 1.327 3.642 549 H VAL 75 H VAL 75 -6.217 5.245 3.738 550 HA VAL 75 HA VAL 75 -6.951 6.501 6.356 551 HB VAL 75 HB VAL 75 -4.609 7.616 5.938 552 1HG1 VAL 75 1HG1 VAL 75 -4.958 6.122 7.787 553 2HG1 VAL 75 2HG1 VAL 75 -3.518 5.552 6.943 554 3HG1 VAL 75 3HG1 VAL 75 -5.059 4.724 6.717 555 1HG2 VAL 75 1HG2 VAL 75 -4.362 5.079 4.295 556 2HG2 VAL 75 2HG2 VAL 75 -3.101 6.275 4.592 557 3HG2 VAL 75 3HG2 VAL 75 -4.493 6.691 3.592 558 H GLU 76 H GLU 76 -6.383 8.983 6.283 559 HA GLU 76 HA GLU 76 -7.640 10.082 3.801 560 1HB GLU 76 2HB GLU 76 -7.454 11.669 6.333 561 2HB GLU 76 1HB GLU 76 -8.705 11.683 5.091 562 1HG GLU 76 2HG GLU 76 -9.260 9.295 5.842 563 2HG GLU 76 1HG GLU 76 -8.256 9.622 7.253 564 H LYS 77 H LYS 77 -6.682 11.878 2.796 565 HA LYS 77 HA LYS 77 -3.862 12.068 2.813 566 1HB LYS 77 2HB LYS 77 -6.055 13.897 1.856 567 2HB LYS 77 1HB LYS 77 -4.372 14.415 1.769 568 1HG LYS 77 2HG LYS 77 -5.130 11.705 0.711 569 2HG LYS 77 1HG LYS 77 -5.458 13.135 -0.266 570 1HD LYS 77 2HD LYS 77 -2.732 12.807 0.958 571 2HD LYS 77 1HD LYS 77 -3.139 11.884 -0.489 572 1HE LYS 77 2HE LYS 77 -3.447 13.815 -1.790 573 2HE LYS 77 1HE LYS 77 -3.668 14.848 -0.378 574 1HZ LYS 77 1HZ LYS 77 -1.306 14.306 -1.761 575 2HZ LYS 77 2HZ LYS 77 -1.153 13.622 -0.214 576 3HZ LYS 77 3HZ LYS 77 -1.512 15.274 -0.384 577 H LYS 78 H LYS 78 -6.271 13.837 4.709 578 HA LYS 78 HA LYS 78 -4.091 15.433 5.972 579 1HB LYS 78 2HB LYS 78 -7.050 15.755 5.670 580 2HB LYS 78 1HB LYS 78 -6.291 16.463 7.095 581 1HG LYS 78 2HG LYS 78 -6.354 18.106 5.277 582 2HG LYS 78 1HG LYS 78 -4.685 17.656 5.622 583 1HD LYS 78 2HD LYS 78 -4.618 16.169 3.720 584 2HD LYS 78 1HD LYS 78 -6.348 16.367 3.442 585 1HE LYS 78 2HE LYS 78 -5.901 18.844 3.108 586 2HE LYS 78 1HE LYS 78 -4.181 18.456 3.116 587 1HZ LYS 78 1HZ LYS 78 -5.682 16.741 1.391 588 2HZ LYS 78 2HZ LYS 78 -4.294 17.662 1.060 589 3HZ LYS 78 3HZ LYS 78 -5.833 18.371 0.952 590 H ASP 79 H ASP 79 -4.888 12.474 6.507 591 HA ASP 79 HA ASP 79 -4.599 12.693 9.414 592 1HB ASP 79 2HB ASP 79 -7.134 12.818 8.723 593 2HB ASP 79 1HB ASP 79 -6.956 11.081 8.486 594 HA PRO 80 HA PRO 80 -2.684 9.010 7.239 595 1HB PRO 80 2HB PRO 80 -0.282 9.581 8.721 596 2HB PRO 80 1HB PRO 80 -0.548 9.707 6.981 597 1HG PRO 80 2HG PRO 80 -0.212 11.842 8.840 598 2HG PRO 80 1HG PRO 80 -0.573 11.965 7.116 599 1HD PRO 80 2HD PRO 80 -2.340 12.468 9.373 600 2HD PRO 80 1HD PRO 80 -2.655 12.734 7.640 601 H GLY 81 H GLY 81 -4.234 9.321 9.859 602 1HA GLY 81 2HA GLY 81 -3.048 6.933 11.191 603 2HA GLY 81 1HA GLY 81 -3.450 8.343 12.173 604 H LYS 82 H LYS 82 -5.846 9.157 11.078 605 HA LYS 82 HA LYS 82 -7.649 7.084 12.086 606 1HB LYS 82 2HB LYS 82 -8.336 9.737 10.786 607 2HB LYS 82 1HB LYS 82 -9.405 8.741 11.771 608 1HG LYS 82 2HG LYS 82 -6.785 9.740 12.883 609 2HG LYS 82 1HG LYS 82 -8.218 10.766 12.899 610 1HD LYS 82 2HD LYS 82 -9.455 8.931 14.077 611 2HD LYS 82 1HD LYS 82 -7.944 8.026 14.169 612 1HE LYS 82 2HE LYS 82 -8.186 10.844 15.230 613 2HE LYS 82 1HE LYS 82 -8.556 9.435 16.223 614 1HZ LYS 82 1HZ LYS 82 -6.307 9.940 16.608 615 2HZ LYS 82 2HZ LYS 82 -5.975 10.142 14.953 616 3HZ LYS 82 3HZ LYS 82 -6.293 8.593 15.576 617 H THR 83 H THR 83 -9.041 5.825 10.852 618 HA THR 83 HA THR 83 -8.364 5.520 8.034 619 HB THR 83 HB THR 83 -10.233 4.142 9.943 620 HG1 THR 83 1HG THR 83 -8.322 3.212 10.007 621 1HG2 THR 83 1HG2 THR 83 -10.310 4.086 6.944 622 2HG2 THR 83 2HG2 THR 83 -11.644 4.029 8.095 623 3HG2 THR 83 3HG2 THR 83 -10.637 2.604 7.841 624 H CYS 84 H CYS 84 -9.703 6.020 6.260 625 HA CYS 84 HA CYS 84 -11.545 8.239 6.678 626 1HB CYS 84 2HB CYS 84 -9.948 7.439 4.594 627 2HB CYS 84 1HB CYS 84 -11.538 6.933 4.025 628 H ASP 85 H ASP 85 -13.535 7.706 4.766 629 HA ASP 85 HA ASP 85 -15.323 6.035 6.345 630 1HB ASP 85 2HB ASP 85 -16.062 8.092 5.117 631 2HB ASP 85 1HB ASP 85 -15.784 7.238 3.600 632 H VAL 86 H VAL 86 -15.745 3.900 6.034 633 HA VAL 86 HA VAL 86 -14.946 2.654 3.434 634 HB VAL 86 HB VAL 86 -14.652 1.264 6.102 635 1HG1 VAL 86 1HG1 VAL 86 -12.991 -0.063 4.723 636 2HG1 VAL 86 2HG1 VAL 86 -13.568 0.816 3.307 637 3HG1 VAL 86 3HG1 VAL 86 -14.669 -0.226 4.207 638 1HG2 VAL 86 1HG2 VAL 86 -12.640 2.963 4.602 639 2HG2 VAL 86 2HG2 VAL 86 -12.194 1.811 5.861 640 3HG2 VAL 86 3HG2 VAL 86 -13.212 3.196 6.254 641 H THR 87 H THR 87 -16.052 0.424 3.225 642 HA THR 87 HA THR 87 -18.662 0.331 4.651 643 HB THR 87 HB THR 87 -18.451 0.046 1.646 644 HG1 THR 87 1HG THR 87 -19.799 2.184 2.256 645 1HG2 THR 87 1HG2 THR 87 -20.930 0.367 1.829 646 2HG2 THR 87 2HG2 THR 87 -20.762 0.321 3.584 647 3HG2 THR 87 3HG2 THR 87 -20.354 -1.099 2.620 648 H GLY 88 H GLY 88 -16.575 -1.306 2.269 649 1HA GLY 88 2HA GLY 88 -16.451 -3.736 3.778 650 2HA GLY 88 1HA GLY 88 -17.676 -3.899 2.518 651 H TRP 89 H TRP 89 -16.280 -5.533 1.519 652 HA TRP 89 HA TRP 89 -14.333 -4.283 -0.320 653 1HB TRP 89 2HB TRP 89 -13.446 -6.768 1.123 654 2HB TRP 89 1HB TRP 89 -12.469 -5.539 0.319 655 HD1 TRP 89 HD TRP 89 -11.565 -3.614 1.755 656 HE1 TRP 89 1HE TRP 89 -11.856 -2.889 4.213 657 HE3 TRP 89 3HE TRP 89 -15.322 -6.770 3.165 658 HZ2 TRP 89 2HZ TRP 89 -13.470 -3.562 6.478 659 HZ3 TRP 89 3HZ TRP 89 -16.217 -6.708 5.474 660 HH2 TRP 89 HH TRP 89 -15.298 -5.110 7.132 661 H VAL 90 H VAL 90 -14.225 -5.376 -2.280 662 HA VAL 90 HA VAL 90 -15.730 -7.955 -2.485 663 HB VAL 90 HB VAL 90 -15.834 -5.668 -4.471 664 1HG1 VAL 90 1HG1 VAL 90 -16.098 -7.809 -5.567 665 2HG1 VAL 90 2HG1 VAL 90 -17.695 -7.074 -5.429 666 3HG1 VAL 90 3HG1 VAL 90 -17.216 -8.360 -4.320 667 1HG2 VAL 90 1HG2 VAL 90 -17.863 -6.658 -2.444 668 2HG2 VAL 90 2HG2 VAL 90 -18.212 -5.489 -3.717 669 3HG2 VAL 90 3HG2 VAL 90 -17.063 -5.087 -2.442 670 H LEU 91 H LEU 91 -14.871 -9.425 -4.004 671 HA LEU 91 HA LEU 91 -12.128 -9.537 -4.417 672 1HB LEU 91 2HB LEU 91 -13.832 -11.355 -4.919 673 2HB LEU 91 1HB LEU 91 -14.143 -10.534 -6.448 674 HG LEU 91 HG LEU 91 -11.499 -10.658 -6.680 675 1HD1 LEU 91 1HD1 LEU 91 -11.151 -11.617 -4.428 676 2HD1 LEU 91 2HD1 LEU 91 -10.608 -12.729 -5.683 677 3HD1 LEU 91 3HD1 LEU 91 -12.147 -13.004 -4.868 678 1HD2 LEU 91 1HD2 LEU 91 -13.399 -12.987 -7.095 679 2HD2 LEU 91 2HD2 LEU 91 -11.790 -12.884 -7.810 680 3HD2 LEU 91 3HD2 LEU 91 -13.029 -11.709 -8.252 Start of MODEL 2 1 1H GLN 1 1HT GLN 1 -1.163 -2.187 -15.558 2 2H GLN 1 2HT GLN 1 -2.800 -2.539 -15.269 3 3H GLN 1 3HT GLN 1 -1.929 -3.426 -16.426 4 HA GLN 1 HA GLN 1 -2.363 -4.329 -13.990 5 1HB GLN 1 2HB GLN 1 -0.163 -5.619 -14.323 6 2HB GLN 1 1HB GLN 1 -1.344 -5.719 -15.629 7 1HG GLN 1 2HG GLN 1 -0.162 -4.060 -16.924 8 2HG GLN 1 1HG GLN 1 0.921 -3.708 -15.577 9 1HE2 GLN 1 1HE2 GLN 1 1.464 -4.866 -18.381 10 2HE2 GLN 1 2HE2 GLN 1 2.347 -6.284 -18.074 11 H CYS 2 H CYS 2 -1.573 -4.131 -11.914 12 HA CYS 2 HA CYS 2 -0.466 -3.115 -10.109 13 1HB CYS 2 2HB CYS 2 1.423 -4.377 -11.272 14 2HB CYS 2 1HB CYS 2 1.858 -2.843 -12.026 15 H TYR 3 H TYR 3 0.840 -1.027 -9.536 16 HA TYR 3 HA TYR 3 0.317 1.186 -11.440 17 1HB TYR 3 2HB TYR 3 -1.637 0.699 -9.693 18 2HB TYR 3 1HB TYR 3 -0.574 1.588 -8.603 19 HD1 TYR 3 1HD TYR 3 -2.492 1.771 -11.769 20 HD2 TYR 3 2HD TYR 3 -0.201 3.954 -8.864 21 HE1 TYR 3 1HE TYR 3 -3.251 3.907 -12.775 22 HE2 TYR 3 2HE TYR 3 -0.960 6.090 -9.870 23 HH TYR 3 HH TYR 3 -2.686 6.185 -12.892 24 H PHE 4 H PHE 4 2.182 2.338 -11.499 25 HA PHE 4 HA PHE 4 3.908 2.363 -9.052 26 1HB PHE 4 2HB PHE 4 5.792 2.732 -10.520 27 2HB PHE 4 1HB PHE 4 4.875 1.366 -11.155 28 HD1 PHE 4 1HD PHE 4 6.122 4.689 -11.819 29 HD2 PHE 4 2HD PHE 4 3.197 1.785 -13.026 30 HE1 PHE 4 1HE PHE 4 5.824 5.884 -13.971 31 HE2 PHE 4 2HE PHE 4 2.898 2.981 -15.178 32 HZ PHE 4 HZ PHE 4 4.212 5.031 -15.650 33 H ILE 5 H ILE 5 4.580 4.323 -8.221 34 HA ILE 5 HA ILE 5 3.614 6.795 -9.595 35 HB ILE 5 HB ILE 5 3.541 6.277 -6.612 36 1HG1 ILE 5 2HG1 ILE 5 1.267 6.349 -8.618 37 2HG1 ILE 5 1HG1 ILE 5 1.914 4.882 -7.881 38 1HG2 ILE 5 1HG2 ILE 5 2.317 8.361 -6.490 39 2HG2 ILE 5 2HG2 ILE 5 2.282 8.495 -8.248 40 3HG2 ILE 5 3HG2 ILE 5 3.810 8.661 -7.379 41 1HD1 ILE 5 1HD1 ILE 5 0.541 7.188 -6.478 42 2HD1 ILE 5 2HD1 ILE 5 1.398 5.905 -5.623 43 3HD1 ILE 5 3HD1 ILE 5 -0.021 5.520 -6.599 44 HA PRO 6 HA PRO 6 7.940 7.861 -9.153 45 1HB PRO 6 2HB PRO 6 7.334 10.677 -9.032 46 2HB PRO 6 1HB PRO 6 7.978 9.752 -10.392 47 1HG PRO 6 2HG PRO 6 5.315 10.814 -10.050 48 2HG PRO 6 1HG PRO 6 5.993 9.979 -11.452 49 1HD PRO 6 2HD PRO 6 4.036 8.973 -9.640 50 2HD PRO 6 1HD PRO 6 4.856 8.070 -10.938 51 H ASN 7 H ASN 7 9.235 8.098 -7.356 52 HA ASN 7 HA ASN 7 8.247 8.175 -4.745 53 1HB ASN 7 2HB ASN 7 10.670 7.741 -5.671 54 2HB ASN 7 1HB ASN 7 10.898 9.462 -5.363 55 1HD2 ASN 7 1HD2 ASN 7 10.354 10.193 -3.056 56 2HD2 ASN 7 2HD2 ASN 7 10.637 9.100 -1.790 57 H GLN 8 H GLN 8 8.295 9.910 -3.121 58 HA GLN 8 HA GLN 8 8.220 12.675 -4.234 59 1HB GLN 8 2HB GLN 8 6.098 11.709 -2.314 60 2HB GLN 8 1HB GLN 8 6.094 13.159 -3.316 61 1HG GLN 8 2HG GLN 8 4.656 11.709 -4.484 62 2HG GLN 8 1HG GLN 8 6.193 11.506 -5.324 63 1HE2 GLN 8 1HE2 GLN 8 6.751 10.051 -2.418 64 2HE2 GLN 8 2HE2 GLN 8 6.270 8.465 -2.784 65 H SER 9 H SER 9 9.528 10.632 -2.042 66 HA SER 9 HA SER 9 9.389 12.155 0.400 67 1HB SER 9 2HB SER 9 10.889 10.600 1.255 68 2HB SER 9 1HB SER 9 10.214 9.682 -0.087 69 HG SER 9 HG SER 9 12.107 11.005 -1.184 70 H LEU 10 H LEU 10 11.099 13.490 1.311 71 HA LEU 10 HA LEU 10 12.461 15.094 -0.766 72 1HB LEU 10 2HB LEU 10 12.297 15.510 2.233 73 2HB LEU 10 1HB LEU 10 12.915 16.672 1.060 74 HG LEU 10 HG LEU 10 10.121 15.559 0.803 75 1HD1 LEU 10 1HD1 LEU 10 11.085 17.833 2.549 76 2HD1 LEU 10 2HD1 LEU 10 10.083 16.457 3.012 77 3HD1 LEU 10 3HD1 LEU 10 9.421 17.721 1.977 78 1HD2 LEU 10 1HD2 LEU 10 10.904 16.757 -1.132 79 2HD2 LEU 10 2HD2 LEU 10 11.564 18.055 -0.137 80 3HD2 LEU 10 3HD2 LEU 10 9.819 17.847 -0.270 81 H LYS 11 H LYS 11 13.251 13.102 2.056 82 HA LYS 11 HA LYS 11 16.063 13.565 2.036 83 1HB LYS 11 2HB LYS 11 14.361 11.275 3.014 84 2HB LYS 11 1HB LYS 11 16.116 11.260 3.182 85 1HG LYS 11 2HG LYS 11 14.612 13.693 4.092 86 2HG LYS 11 1HG LYS 11 14.583 12.254 5.110 87 1HD LYS 11 2HD LYS 11 16.969 12.242 5.320 88 2HD LYS 11 1HD LYS 11 17.153 13.452 4.051 89 1HE LYS 11 2HE LYS 11 17.321 14.245 6.517 90 2HE LYS 11 1HE LYS 11 16.320 15.186 5.410 91 1HZ LYS 11 1HZ LYS 11 14.371 14.174 6.237 92 2HZ LYS 11 2HZ LYS 11 15.276 14.630 7.600 93 3HZ LYS 11 3HZ LYS 11 15.242 13.006 7.104 94 HA PRO 12 HA PRO 12 16.714 11.421 -1.916 95 1HB PRO 12 2HB PRO 12 19.560 11.669 -1.538 96 2HB PRO 12 1HB PRO 12 18.517 12.588 -2.625 97 1HG PRO 12 2HG PRO 12 19.791 13.507 -0.240 98 2HG PRO 12 1HG PRO 12 18.705 14.407 -1.300 99 1HD PRO 12 2HD PRO 12 18.171 13.379 1.357 100 2HD PRO 12 1HD PRO 12 17.107 14.359 0.317 101 H ASN 13 H ASN 13 16.209 9.773 0.346 102 HA ASN 13 HA ASN 13 17.654 7.405 -0.385 103 1HB ASN 13 2HB ASN 13 18.822 7.042 1.785 104 2HB ASN 13 1HB ASN 13 19.460 8.434 0.908 105 1HD2 ASN 13 1HD2 ASN 13 17.706 7.441 3.788 106 2HD2 ASN 13 2HD2 ASN 13 17.617 8.982 4.495 107 H GLU 14 H GLU 14 14.932 8.065 -0.139 108 HA GLU 14 HA GLU 14 14.116 6.105 1.938 109 1HB GLU 14 2HB GLU 14 13.144 8.948 1.669 110 2HB GLU 14 1HB GLU 14 12.124 7.704 2.394 111 1HG GLU 14 2HG GLU 14 13.821 7.215 4.059 112 2HG GLU 14 1HG GLU 14 14.944 8.338 3.293 113 H CYS 15 H CYS 15 11.728 5.537 1.597 114 HA CYS 15 HA CYS 15 10.814 5.908 -1.197 115 1HB CYS 15 2HB CYS 15 12.154 3.540 -0.317 116 2HB CYS 15 1HB CYS 15 10.458 3.126 -0.545 117 H GLN 16 H GLN 16 9.212 7.170 0.014 118 HA GLN 16 HA GLN 16 7.271 5.516 1.569 119 1HB GLN 16 2HB GLN 16 6.427 7.643 2.441 120 2HB GLN 16 1HB GLN 16 8.171 7.551 2.683 121 1HG GLN 16 2HG GLN 16 8.120 9.641 1.735 122 2HG GLN 16 1HG GLN 16 8.126 8.713 0.236 123 1HE2 GLN 16 1HE2 GLN 16 6.214 10.825 2.257 124 2HE2 GLN 16 2HE2 GLN 16 4.838 10.859 1.263 125 H ASP 17 H ASP 17 4.921 6.285 1.214 126 HA ASP 17 HA ASP 17 4.267 7.427 -1.380 127 1HB ASP 17 2HB ASP 17 4.942 5.143 -2.065 128 2HB ASP 17 1HB ASP 17 3.767 4.464 -0.938 129 H LEU 18 H LEU 18 1.900 7.619 -1.623 130 HA LEU 18 HA LEU 18 -0.147 8.254 -0.645 131 1HB LEU 18 2HB LEU 18 0.218 5.671 0.896 132 2HB LEU 18 1HB LEU 18 -1.303 6.454 0.466 133 HG LEU 18 HG LEU 18 0.165 6.087 -1.960 134 1HD1 LEU 18 1HD1 LEU 18 1.462 4.370 -0.746 135 2HD1 LEU 18 2HD1 LEU 18 0.437 3.643 -1.982 136 3HD1 LEU 18 3HD1 LEU 18 -0.038 3.567 -0.285 137 1HD2 LEU 18 1HD2 LEU 18 -1.766 4.533 -2.448 138 2HD2 LEU 18 2HD2 LEU 18 -2.250 6.126 -1.867 139 3HD2 LEU 18 3HD2 LEU 18 -2.281 4.743 -0.774 140 H LYS 19 H LYS 19 -1.010 7.466 2.062 141 HA LYS 19 HA LYS 19 0.805 9.249 3.643 142 1HB LYS 19 2HB LYS 19 -1.858 9.667 3.045 143 2HB LYS 19 1HB LYS 19 -1.957 8.903 4.629 144 1HG LYS 19 2HG LYS 19 -1.741 11.169 5.183 145 2HG LYS 19 1HG LYS 19 -0.075 10.601 5.290 146 1HD LYS 19 2HD LYS 19 0.125 11.298 2.809 147 2HD LYS 19 1HD LYS 19 -1.374 12.186 3.072 148 1HE LYS 19 2HE LYS 19 1.324 12.628 4.327 149 2HE LYS 19 1HE LYS 19 0.254 13.801 3.558 150 1HZ LYS 19 1HZ LYS 19 -0.320 14.288 5.649 151 2HZ LYS 19 2HZ LYS 19 0.273 12.824 6.274 152 3HZ LYS 19 3HZ LYS 19 -1.271 12.885 5.567 153 H GLY 20 H GLY 20 0.795 6.222 3.303 154 1HA GLY 20 2HA GLY 20 0.889 5.631 6.209 155 2HA GLY 20 1HA GLY 20 -0.165 4.622 5.222 156 H VAL 21 H VAL 21 2.566 5.677 3.488 157 HA VAL 21 HA VAL 21 3.902 3.039 3.987 158 HB VAL 21 HB VAL 21 4.068 4.706 1.469 159 1HG1 VAL 21 1HG1 VAL 21 5.926 3.153 1.797 160 2HG1 VAL 21 2HG1 VAL 21 4.870 2.541 0.523 161 3HG1 VAL 21 3HG1 VAL 21 4.798 1.840 2.140 162 1HG2 VAL 21 1HG2 VAL 21 1.788 4.058 1.567 163 2HG2 VAL 21 2HG2 VAL 21 2.179 2.494 2.281 164 3HG2 VAL 21 3HG2 VAL 21 2.552 2.806 0.587 165 H SER 22 H SER 22 6.145 3.042 4.296 166 HA SER 22 HA SER 22 7.821 5.335 3.827 167 1HB SER 22 2HB SER 22 6.734 6.380 5.681 168 2HB SER 22 1HB SER 22 6.771 4.895 6.629 169 HG SER 22 HG SER 22 9.243 5.618 5.782 170 H HIS 23 H HIS 23 9.581 4.140 3.232 171 HA HIS 23 HA HIS 23 10.765 2.334 5.242 172 1HB HIS 23 2HB HIS 23 9.486 1.434 2.725 173 2HB HIS 23 1HB HIS 23 11.091 0.766 3.018 174 HD1 HIS 23 1HD HIS 23 11.308 -1.006 4.816 175 HD2 HIS 23 2HD HIS 23 7.573 0.845 4.859 176 HE1 HIS 23 1HE HIS 23 9.880 -2.313 6.450 177 HA PRO 24 HA PRO 24 14.558 4.052 3.780 178 1HB PRO 24 2HB PRO 24 15.955 1.545 3.540 179 2HB PRO 24 1HB PRO 24 16.055 2.732 4.842 180 1HG PRO 24 2HG PRO 24 14.754 0.154 4.865 181 2HG PRO 24 1HG PRO 24 14.959 1.293 6.199 182 1HD PRO 24 2HD PRO 24 12.529 0.662 4.843 183 2HD PRO 24 1HD PRO 24 12.779 1.947 6.051 184 H LEU 25 H LEU 25 16.170 3.906 1.919 185 HA LEU 25 HA LEU 25 14.773 3.516 -0.563 186 1HB LEU 25 2HB LEU 25 16.818 5.078 0.080 187 2HB LEU 25 1HB LEU 25 17.768 3.689 -0.441 188 HG LEU 25 HG LEU 25 16.246 3.731 -2.560 189 1HD1 LEU 25 1HD1 LEU 25 15.615 6.173 -3.074 190 2HD1 LEU 25 2HD1 LEU 25 15.756 6.453 -1.341 191 3HD1 LEU 25 3HD1 LEU 25 14.570 5.303 -1.954 192 1HD2 LEU 25 1HD2 LEU 25 17.732 5.572 -3.542 193 2HD2 LEU 25 2HD2 LEU 25 18.572 4.228 -2.769 194 3HD2 LEU 25 3HD2 LEU 25 18.393 5.762 -1.918 195 H ASN 26 H ASN 26 15.676 2.066 -2.334 196 HA ASN 26 HA ASN 26 16.061 -0.123 -3.079 197 1HB ASN 26 2HB ASN 26 18.077 0.047 -0.819 198 2HB ASN 26 1HB ASN 26 18.036 -1.247 -2.017 199 1HD2 ASN 26 1HD2 ASN 26 18.708 -0.743 -4.203 200 2HD2 ASN 26 2HD2 ASN 26 19.461 0.725 -4.597 201 H SER 27 H SER 27 14.127 0.419 -0.770 202 HA SER 27 HA SER 27 14.238 -2.086 0.769 203 1HB SER 27 2HB SER 27 11.987 -1.186 1.636 204 2HB SER 27 1HB SER 27 13.421 -0.237 2.012 205 HG SER 27 HG SER 27 12.910 1.137 0.315 206 H VAL 28 H VAL 28 13.425 -3.946 -0.052 207 HA VAL 28 HA VAL 28 11.123 -3.777 -1.957 208 HB VAL 28 HB VAL 28 12.357 -6.101 -2.676 209 1HG1 VAL 28 1HG1 VAL 28 12.734 -3.276 -3.675 210 2HG1 VAL 28 2HG1 VAL 28 11.698 -4.541 -4.336 211 3HG1 VAL 28 3HG1 VAL 28 13.449 -4.656 -4.509 212 1HG2 VAL 28 1HG2 VAL 28 14.229 -5.568 -1.075 213 2HG2 VAL 28 2HG2 VAL 28 14.596 -4.152 -2.060 214 3HG2 VAL 28 3HG2 VAL 28 14.755 -5.768 -2.747 215 H TRP 29 H TRP 29 9.384 -4.936 -1.266 216 HA TRP 29 HA TRP 29 9.797 -7.381 0.341 217 1HB TRP 29 2HB TRP 29 8.307 -6.647 2.139 218 2HB TRP 29 1HB TRP 29 9.672 -5.538 2.009 219 HD1 TRP 29 HD TRP 29 5.932 -5.728 1.671 220 HE1 TRP 29 1HE TRP 29 4.992 -3.384 1.155 221 HE3 TRP 29 3HE TRP 29 10.281 -3.219 0.740 222 HZ2 TRP 29 2HZ TRP 29 5.957 -0.788 0.443 223 HZ3 TRP 29 3HZ TRP 29 10.241 -0.814 0.144 224 HH2 TRP 29 HH TRP 29 8.087 0.403 -0.005 225 H LYS 30 H LYS 30 8.312 -8.892 -0.247 226 HA LYS 30 HA LYS 30 5.744 -7.980 -1.464 227 1HB LYS 30 2HB LYS 30 7.421 -10.236 -2.595 228 2HB LYS 30 1HB LYS 30 5.964 -9.532 -3.290 229 1HG LYS 30 2HG LYS 30 7.492 -8.346 -4.530 230 2HG LYS 30 1HG LYS 30 7.473 -7.295 -3.114 231 1HD LYS 30 2HD LYS 30 9.434 -8.437 -2.198 232 2HD LYS 30 1HD LYS 30 9.425 -9.580 -3.541 233 1HE LYS 30 2HE LYS 30 9.613 -7.513 -5.069 234 2HE LYS 30 1HE LYS 30 10.041 -6.625 -3.606 235 1HZ LYS 30 1HZ LYS 30 12.100 -7.331 -3.988 236 2HZ LYS 30 2HZ LYS 30 11.598 -8.478 -5.136 237 3HZ LYS 30 3HZ LYS 30 11.577 -8.863 -3.482 238 H THR 31 H THR 31 4.019 -9.516 -1.224 239 HA THR 31 HA THR 31 4.452 -11.386 1.041 240 HB THR 31 HB THR 31 2.093 -11.347 1.344 241 HG1 THR 31 1HG THR 31 0.766 -11.104 -0.269 242 1HG2 THR 31 1HG2 THR 31 3.261 -9.213 1.903 243 2HG2 THR 31 2HG2 THR 31 1.570 -8.972 1.465 244 3HG2 THR 31 3HG2 THR 31 2.844 -8.602 0.302 245 H LYS 32 H LYS 32 2.494 -13.266 0.582 246 HA LYS 32 HA LYS 32 3.727 -14.863 -1.563 247 1HB LYS 32 2HB LYS 32 1.670 -15.451 0.573 248 2HB LYS 32 1HB LYS 32 2.068 -16.614 -0.693 249 1HG LYS 32 2HG LYS 32 4.324 -16.793 0.028 250 2HG LYS 32 1HG LYS 32 4.202 -15.344 1.027 251 1HD LYS 32 2HD LYS 32 2.831 -16.436 2.633 252 2HD LYS 32 1HD LYS 32 2.500 -17.786 1.547 253 1HE LYS 32 2HE LYS 32 4.252 -18.143 3.428 254 2HE LYS 32 1HE LYS 32 4.664 -18.682 1.801 255 1HZ LYS 32 1HZ LYS 32 6.141 -16.994 1.510 256 2HZ LYS 32 2HZ LYS 32 6.285 -17.187 3.191 257 3HZ LYS 32 3HZ LYS 32 5.330 -15.934 2.557 258 H ASP 33 H ASP 33 0.655 -13.280 -0.855 259 HA ASP 33 HA ASP 33 -0.044 -13.158 -3.653 260 1HB ASP 33 2HB ASP 33 -2.080 -14.592 -3.520 261 2HB ASP 33 1HB ASP 33 -0.592 -15.519 -3.329 262 H CYS 34 H CYS 34 0.043 -11.003 -2.298 263 HA CYS 34 HA CYS 34 -2.765 -10.259 -1.779 264 1HB CYS 34 2HB CYS 34 -0.578 -9.840 0.280 265 2HB CYS 34 1HB CYS 34 -2.224 -9.217 0.392 266 H GLU 35 H GLU 35 0.604 -9.102 -1.609 267 HA GLU 35 HA GLU 35 0.012 -6.998 -3.552 268 1HB GLU 35 2HB GLU 35 -0.814 -5.772 -1.702 269 2HB GLU 35 1HB GLU 35 0.440 -6.381 -0.626 270 1HG GLU 35 2HG GLU 35 2.102 -5.008 -1.590 271 2HG GLU 35 1HG GLU 35 1.139 -4.709 -3.038 272 H GLU 36 H GLU 36 1.992 -5.857 -4.186 273 HA GLU 36 HA GLU 36 4.533 -7.032 -3.176 274 1HB GLU 36 2HB GLU 36 3.839 -6.817 -6.123 275 2HB GLU 36 1HB GLU 36 5.330 -7.465 -5.438 276 1HG GLU 36 2HG GLU 36 3.817 -9.145 -4.195 277 2HG GLU 36 1HG GLU 36 2.550 -8.638 -5.312 278 H CYS 37 H CYS 37 5.246 -5.074 -2.317 279 HA CYS 37 HA CYS 37 5.250 -2.713 -4.139 280 1HB CYS 37 2HB CYS 37 5.235 -3.024 -1.157 281 2HB CYS 37 1HB CYS 37 5.890 -1.551 -1.873 282 H THR 38 H THR 38 7.137 -2.016 -4.957 283 HA THR 38 HA THR 38 9.679 -2.984 -3.699 284 HB THR 38 HB THR 38 10.650 -3.184 -5.893 285 HG1 THR 38 1HG THR 38 8.840 -2.765 -7.618 286 1HG2 THR 38 1HG2 THR 38 9.357 -4.967 -6.811 287 2HG2 THR 38 2HG2 THR 38 7.855 -4.298 -6.172 288 3HG2 THR 38 3HG2 THR 38 9.046 -4.995 -5.075 289 H CYS 39 H CYS 39 11.513 -1.473 -4.028 290 HA CYS 39 HA CYS 39 10.553 1.359 -4.179 291 1HB CYS 39 2HB CYS 39 11.501 0.843 -2.013 292 2HB CYS 39 1HB CYS 39 12.924 0.114 -2.757 293 H GLY 40 H GLY 40 10.870 1.914 -6.322 294 1HA GLY 40 2HA GLY 40 13.254 1.043 -7.781 295 2HA GLY 40 1HA GLY 40 12.006 2.131 -8.391 296 H GLN 41 H GLN 41 15.096 2.269 -8.154 297 HA GLN 41 HA GLN 41 15.800 4.335 -6.346 298 1HB GLN 41 2HB GLN 41 17.549 3.110 -7.451 299 2HB GLN 41 1HB GLN 41 16.943 3.564 -9.043 300 1HG GLN 41 2HG GLN 41 17.712 5.735 -7.114 301 2HG GLN 41 1HG GLN 41 18.984 4.867 -7.972 302 1HE2 GLN 41 1HE2 GLN 41 17.543 7.704 -8.243 303 2HE2 GLN 41 2HE2 GLN 41 17.333 7.831 -9.923 304 H ASP 42 H ASP 42 13.741 4.455 -9.033 305 HA ASP 42 HA ASP 42 13.982 7.442 -9.112 306 1HB ASP 42 2HB ASP 42 13.086 5.713 -11.427 307 2HB ASP 42 1HB ASP 42 13.510 7.425 -11.455 308 H ALA 43 H ALA 43 11.962 4.682 -8.687 309 HA ALA 43 HA ALA 43 9.711 6.418 -7.992 310 1HB ALA 43 1HB ALA 43 8.142 5.237 -9.585 311 2HB ALA 43 2HB ALA 43 9.562 4.573 -10.391 312 3HB ALA 43 3HB ALA 43 9.297 6.316 -10.366 313 H ILE 44 H ILE 44 7.725 4.856 -7.504 314 HA ILE 44 HA ILE 44 8.813 2.423 -6.126 315 HB ILE 44 HB ILE 44 6.671 4.387 -5.263 316 1HG1 ILE 44 2HG1 ILE 44 9.118 3.371 -3.795 317 2HG1 ILE 44 1HG1 ILE 44 9.131 4.830 -4.785 318 1HG2 ILE 44 1HG2 ILE 44 6.516 2.796 -3.248 319 2HG2 ILE 44 2HG2 ILE 44 7.300 1.600 -4.280 320 3HG2 ILE 44 3HG2 ILE 44 5.733 2.266 -4.736 321 1HD1 ILE 44 1HD1 ILE 44 8.722 5.372 -2.408 322 2HD1 ILE 44 2HD1 ILE 44 7.299 4.329 -2.420 323 3HD1 ILE 44 3HD1 ILE 44 7.330 5.792 -3.405 324 H SER 45 H SER 45 7.801 0.522 -6.657 325 HA SER 45 HA SER 45 5.359 0.709 -8.379 326 1HB SER 45 2HB SER 45 6.107 -1.134 -9.565 327 2HB SER 45 1HB SER 45 7.655 -0.435 -9.095 328 HG SER 45 HG SER 45 7.483 -2.688 -8.620 329 H CYS 46 H CYS 46 3.493 -0.012 -7.483 330 HA CYS 46 HA CYS 46 3.650 -2.099 -5.350 331 1HB CYS 46 2HB CYS 46 2.326 0.595 -5.229 332 2HB CYS 46 1HB CYS 46 1.628 -0.756 -4.336 333 H CYS 47 H CYS 47 2.411 -3.787 -5.914 334 HA CYS 47 HA CYS 47 0.092 -3.305 -7.753 335 1HB CYS 47 2HB CYS 47 1.415 -5.986 -7.398 336 2HB CYS 47 1HB CYS 47 0.503 -5.374 -8.778 337 H ASN 48 H ASN 48 -1.905 -4.004 -7.069 338 HA ASN 48 HA ASN 48 -2.016 -5.349 -4.394 339 1HB ASN 48 2HB ASN 48 -4.375 -4.418 -4.354 340 2HB ASN 48 1HB ASN 48 -3.099 -3.200 -4.322 341 1HD2 ASN 48 1HD2 ASN 48 -5.782 -4.446 -6.183 342 2HD2 ASN 48 2HD2 ASN 48 -5.653 -3.351 -7.474 343 H THR 49 H THR 49 -3.465 -7.120 -4.135 344 HA THR 49 HA THR 49 -4.618 -8.226 -6.667 345 HB THR 49 HB THR 49 -3.877 -10.460 -6.013 346 HG1 THR 49 1HG THR 49 -3.891 -10.277 -3.802 347 1HG2 THR 49 1HG2 THR 49 -2.305 -9.237 -7.368 348 2HG2 THR 49 2HG2 THR 49 -1.383 -10.073 -6.120 349 3HG2 THR 49 3HG2 THR 49 -1.710 -8.347 -5.967 350 H ALA 50 H ALA 50 -4.854 -7.788 -3.203 351 HA ALA 50 HA ALA 50 -7.134 -9.548 -2.843 352 1HB ALA 50 1HB ALA 50 -7.305 -8.569 -0.637 353 2HB ALA 50 2HB ALA 50 -6.313 -7.193 -1.120 354 3HB ALA 50 3HB ALA 50 -5.594 -8.798 -0.994 355 H ALA 51 H ALA 51 -9.326 -8.724 -2.252 356 HA ALA 51 HA ALA 51 -10.500 -7.146 -4.245 357 1HB ALA 51 1HB ALA 51 -11.875 -8.505 -2.788 358 2HB ALA 51 2HB ALA 51 -12.392 -6.829 -2.612 359 3HB ALA 51 3HB ALA 51 -11.379 -7.572 -1.375 360 H ILE 52 H ILE 52 -11.305 -4.931 -4.195 361 HA ILE 52 HA ILE 52 -9.567 -3.138 -2.556 362 HB ILE 52 HB ILE 52 -11.058 -2.476 -5.109 363 1HG1 ILE 52 2HG1 ILE 52 -8.697 -2.565 -6.091 364 2HG1 ILE 52 1HG1 ILE 52 -8.218 -3.416 -4.624 365 1HG2 ILE 52 1HG2 ILE 52 -8.772 -1.068 -3.703 366 2HG2 ILE 52 2HG2 ILE 52 -10.464 -0.580 -3.594 367 3HG2 ILE 52 3HG2 ILE 52 -9.624 -0.512 -5.144 368 1HD1 ILE 52 1HD1 ILE 52 -9.213 -5.348 -5.281 369 2HD1 ILE 52 2HD1 ILE 52 -9.182 -4.635 -6.891 370 3HD1 ILE 52 3HD1 ILE 52 -10.638 -4.519 -5.905 371 HA PRO 53 HA PRO 53 -13.338 -2.066 -0.366 372 1HB PRO 53 2HB PRO 53 -12.299 0.534 0.308 373 2HB PRO 53 1HB PRO 53 -12.425 -0.894 1.339 374 1HG PRO 53 2HG PRO 53 -10.056 0.261 0.188 375 2HG PRO 53 1HG PRO 53 -10.180 -1.136 1.262 376 1HD PRO 53 2HD PRO 53 -9.529 -1.138 -1.531 377 2HD PRO 53 1HD PRO 53 -9.749 -2.551 -0.468 378 H THR 54 H THR 54 -15.218 -1.182 -1.166 379 HA THR 54 HA THR 54 -15.061 1.284 -2.828 380 HB THR 54 HB THR 54 -15.948 0.341 -4.725 381 HG1 THR 54 1HG THR 54 -17.885 -0.282 -3.903 382 1HG2 THR 54 1HG2 THR 54 -13.906 -0.993 -4.156 383 2HG2 THR 54 2HG2 THR 54 -15.070 -1.883 -5.138 384 3HG2 THR 54 3HG2 THR 54 -14.953 -2.197 -3.407 385 H GLY 55 H GLY 55 -17.480 1.940 -3.361 386 1HA GLY 55 2HA GLY 55 -19.651 2.420 -2.576 387 2HA GLY 55 1HA GLY 55 -19.480 1.089 -1.430 388 H TYR 56 H TYR 56 -16.766 2.749 -0.877 389 HA TYR 56 HA TYR 56 -17.920 4.084 1.472 390 1HB TYR 56 2HB TYR 56 -15.749 4.187 2.305 391 2HB TYR 56 1HB TYR 56 -15.651 2.762 1.273 392 HD1 TYR 56 1HD TYR 56 -14.388 6.078 1.900 393 HD2 TYR 56 2HD TYR 56 -14.795 3.054 -1.124 394 HE1 TYR 56 1HE TYR 56 -12.600 7.167 0.572 395 HE2 TYR 56 2HE TYR 56 -13.007 4.144 -2.452 396 HH TYR 56 HH TYR 56 -12.109 6.858 -2.451 397 H ASP 57 H ASP 57 -17.393 6.378 1.953 398 HA ASP 57 HA ASP 57 -18.102 8.116 -0.200 399 1HB ASP 57 2HB ASP 57 -16.681 8.864 2.373 400 2HB ASP 57 1HB ASP 57 -17.632 9.937 1.345 401 H THR 58 H THR 58 -16.834 8.740 -1.873 402 HA THR 58 HA THR 58 -13.893 8.445 -1.642 403 HB THR 58 HB THR 58 -13.840 8.537 -4.010 404 HG1 THR 58 1HG THR 58 -15.390 9.499 -5.198 405 1HG2 THR 58 1HG2 THR 58 -15.435 6.872 -4.696 406 2HG2 THR 58 2HG2 THR 58 -16.545 7.323 -3.402 407 3HG2 THR 58 3HG2 THR 58 -15.017 6.530 -3.018 408 H ASN 59 H ASN 59 -13.726 10.318 -0.145 409 HA ASN 59 HA ASN 59 -14.287 12.968 -1.347 410 1HB ASN 59 2HB ASN 59 -14.848 12.587 1.034 411 2HB ASN 59 1HB ASN 59 -13.152 12.239 1.370 412 1HD2 ASN 59 1HD2 ASN 59 -15.322 14.843 0.192 413 2HD2 ASN 59 2HD2 ASN 59 -14.297 16.116 0.650 414 H LYS 60 H LYS 60 -11.476 11.362 0.199 415 HA LYS 60 HA LYS 60 -9.667 12.057 -1.907 416 1HB LYS 60 2HB LYS 60 -10.297 14.207 -0.151 417 2HB LYS 60 1HB LYS 60 -8.662 13.689 0.257 418 1HG LYS 60 2HG LYS 60 -7.964 13.916 -2.068 419 2HG LYS 60 1HG LYS 60 -9.614 14.306 -2.555 420 1HD LYS 60 2HD LYS 60 -9.564 16.335 -1.172 421 2HD LYS 60 1HD LYS 60 -7.931 15.941 -0.633 422 1HE LYS 60 2HE LYS 60 -8.137 17.623 -2.570 423 2HE LYS 60 1HE LYS 60 -7.016 16.281 -2.796 424 1HZ LYS 60 1HZ LYS 60 -9.808 16.412 -3.803 425 2HZ LYS 60 2HZ LYS 60 -8.758 15.089 -3.989 426 3HZ LYS 60 3HZ LYS 60 -8.402 16.570 -4.739 427 H CYS 61 H CYS 61 -10.400 9.926 0.069 428 HA CYS 61 HA CYS 61 -7.969 9.647 1.718 429 1HB CYS 61 2HB CYS 61 -10.399 7.880 1.324 430 2HB CYS 61 1HB CYS 61 -9.055 7.477 2.393 431 H GLN 62 H GLN 62 -6.993 7.297 1.614 432 HA GLN 62 HA GLN 62 -6.668 6.501 -1.256 433 1HB GLN 62 2HB GLN 62 -4.516 6.886 0.843 434 2HB GLN 62 1HB GLN 62 -4.250 6.052 -0.688 435 1HG GLN 62 2HG GLN 62 -4.749 8.025 -1.954 436 2HG GLN 62 1HG GLN 62 -5.357 8.864 -0.524 437 1HE2 GLN 62 1HE2 GLN 62 -2.643 8.598 -2.487 438 2HE2 GLN 62 2HE2 GLN 62 -1.472 9.153 -1.392 439 H LYS 63 H LYS 63 -5.551 4.257 -1.331 440 HA LYS 63 HA LYS 63 -6.724 2.551 0.835 441 1HB LYS 63 2HB LYS 63 -6.097 1.352 -1.822 442 2HB LYS 63 1HB LYS 63 -7.449 1.039 -0.735 443 1HG LYS 63 2HG LYS 63 -8.559 2.175 -2.420 444 2HG LYS 63 1HG LYS 63 -8.113 3.534 -1.393 445 1HD LYS 63 2HD LYS 63 -7.350 4.296 -3.454 446 2HD LYS 63 1HD LYS 63 -5.896 3.498 -2.853 447 1HE LYS 63 2HE LYS 63 -6.843 1.379 -4.032 448 2HE LYS 63 1HE LYS 63 -7.872 2.514 -4.905 449 1HZ LYS 63 1HZ LYS 63 -5.582 1.898 -5.873 450 2HZ LYS 63 2HZ LYS 63 -4.970 2.985 -4.719 451 3HZ LYS 63 3HZ LYS 63 -6.070 3.522 -5.898 452 H ILE 64 H ILE 64 -5.417 0.929 1.705 453 HA ILE 64 HA ILE 64 -2.685 0.573 0.593 454 HB ILE 64 HB ILE 64 -3.346 1.542 3.381 455 1HG1 ILE 64 2HG1 ILE 64 -1.341 2.467 1.296 456 2HG1 ILE 64 1HG1 ILE 64 -2.914 3.211 1.574 457 1HG2 ILE 64 1HG2 ILE 64 -0.835 1.168 3.772 458 2HG2 ILE 64 2HG2 ILE 64 -0.882 0.116 2.358 459 3HG2 ILE 64 3HG2 ILE 64 -1.850 -0.273 3.780 460 1HD1 ILE 64 1HD1 ILE 64 -1.398 4.533 2.832 461 2HD1 ILE 64 2HD1 ILE 64 -0.540 3.116 3.438 462 3HD1 ILE 64 3HD1 ILE 64 -2.164 3.481 4.021 463 H LEU 65 H LEU 65 -2.040 -1.546 0.749 464 HA LEU 65 HA LEU 65 -3.875 -3.414 2.153 465 1HB LEU 65 2HB LEU 65 -3.107 -3.705 -0.295 466 2HB LEU 65 1HB LEU 65 -1.556 -4.195 0.382 467 HG LEU 65 HG LEU 65 -4.194 -5.465 1.177 468 1HD1 LEU 65 1HD1 LEU 65 -3.118 -5.702 -1.326 469 2HD1 LEU 65 2HD1 LEU 65 -4.053 -6.965 -0.530 470 3HD1 LEU 65 3HD1 LEU 65 -2.292 -7.012 -0.483 471 1HD2 LEU 65 1HD2 LEU 65 -2.395 -7.325 1.754 472 2HD2 LEU 65 2HD2 LEU 65 -2.686 -5.999 2.873 473 3HD2 LEU 65 3HD2 LEU 65 -1.292 -5.951 1.796 474 H ASN 66 H ASN 66 -3.313 -4.015 4.180 475 HA ASN 66 HA ASN 66 -0.587 -3.616 5.167 476 1HB ASN 66 2HB ASN 66 -2.623 -3.261 6.590 477 2HB ASN 66 1HB ASN 66 -2.929 -4.997 6.517 478 1HD2 ASN 66 1HD2 ASN 66 -2.584 -4.349 9.043 479 2HD2 ASN 66 2HD2 ASN 66 -1.008 -4.619 9.613 480 H LYS 67 H LYS 67 0.925 -5.074 4.493 481 HA LYS 67 HA LYS 67 0.246 -7.781 3.721 482 1HB LYS 67 2HB LYS 67 2.875 -7.979 3.881 483 2HB LYS 67 1HB LYS 67 2.143 -7.009 2.604 484 1HG LYS 67 2HG LYS 67 2.687 -5.638 5.202 485 2HG LYS 67 1HG LYS 67 4.081 -6.038 4.200 486 1HD LYS 67 2HD LYS 67 3.354 -4.693 2.417 487 2HD LYS 67 1HD LYS 67 1.683 -4.681 2.980 488 1HE LYS 67 2HE LYS 67 3.009 -2.527 3.360 489 2HE LYS 67 1HE LYS 67 2.194 -3.194 4.775 490 1HZ LYS 67 1HZ LYS 67 4.833 -2.578 4.612 491 2HZ LYS 67 2HZ LYS 67 4.826 -4.262 4.387 492 3HZ LYS 67 3HZ LYS 67 4.126 -3.586 5.779 493 H LYS 68 H LYS 68 0.542 -6.355 6.735 494 HA LYS 68 HA LYS 68 1.983 -8.260 8.256 495 1HB LYS 68 2HB LYS 68 -0.438 -6.587 8.990 496 2HB LYS 68 1HB LYS 68 0.505 -7.511 10.159 497 1HG LYS 68 2HG LYS 68 1.941 -5.618 8.323 498 2HG LYS 68 1HG LYS 68 1.062 -4.958 9.700 499 1HD LYS 68 2HD LYS 68 2.313 -6.456 11.217 500 2HD LYS 68 1HD LYS 68 3.205 -7.102 9.839 501 1HE LYS 68 2HE LYS 68 4.212 -4.959 9.390 502 2HE LYS 68 1HE LYS 68 3.170 -4.163 10.570 503 1HZ LYS 68 1HZ LYS 68 4.860 -6.388 11.459 504 2HZ LYS 68 2HZ LYS 68 4.328 -5.024 12.318 505 3HZ LYS 68 3HZ LYS 68 5.589 -4.880 11.189 506 H THR 69 H THR 69 -1.511 -8.124 7.538 507 HA THR 69 HA THR 69 -1.602 -11.093 7.910 508 HB THR 69 HB THR 69 -3.984 -10.672 8.786 509 HG1 THR 69 1HG THR 69 -3.115 -8.163 8.337 510 1HG2 THR 69 1HG2 THR 69 -2.152 -11.405 10.239 511 2HG2 THR 69 2HG2 THR 69 -3.153 -10.221 11.079 512 3HG2 THR 69 3HG2 THR 69 -1.596 -9.739 10.403 513 H CYS 70 H CYS 70 -1.415 -9.271 5.520 514 HA CYS 70 HA CYS 70 -2.422 -9.041 3.411 515 1HB CYS 70 2HB CYS 70 -3.217 -11.766 4.383 516 2HB CYS 70 1HB CYS 70 -3.935 -11.154 2.892 517 H THR 71 H THR 71 -3.667 -7.223 4.500 518 HA THR 71 HA THR 71 -6.585 -7.757 4.204 519 HB THR 71 HB THR 71 -7.164 -6.802 6.265 520 HG1 THR 71 1HG THR 71 -5.656 -5.566 7.461 521 1HG2 THR 71 1HG2 THR 71 -5.861 -7.962 7.953 522 2HG2 THR 71 2HG2 THR 71 -4.491 -8.102 6.851 523 3HG2 THR 71 3HG2 THR 71 -5.978 -8.993 6.527 524 H TYR 72 H TYR 72 -7.778 -5.547 4.159 525 HA TYR 72 HA TYR 72 -6.094 -3.643 2.582 526 1HB TYR 72 2HB TYR 72 -8.617 -4.855 2.036 527 2HB TYR 72 1HB TYR 72 -8.908 -3.131 2.272 528 HD1 TYR 72 1HD TYR 72 -7.395 -1.473 1.011 529 HD2 TYR 72 2HD TYR 72 -7.661 -5.646 0.025 530 HE1 TYR 72 1HE TYR 72 -6.447 -1.004 -1.231 531 HE2 TYR 72 2HE TYR 72 -6.713 -5.174 -2.219 532 HH TYR 72 HH TYR 72 -5.949 -3.625 -3.602 533 H THR 73 H THR 73 -6.099 -1.471 3.127 534 HA THR 73 HA THR 73 -7.753 -0.637 5.470 535 HB THR 73 HB THR 73 -5.891 0.321 6.583 536 HG1 THR 73 1HG THR 73 -4.498 1.234 5.327 537 1HG2 THR 73 1HG2 THR 73 -4.755 -2.197 5.349 538 2HG2 THR 73 2HG2 THR 73 -6.007 -2.211 6.590 539 3HG2 THR 73 3HG2 THR 73 -4.417 -1.538 6.950 540 H VAL 74 H VAL 74 -7.632 1.848 5.681 541 HA VAL 74 HA VAL 74 -7.210 3.204 3.068 542 HB VAL 74 HB VAL 74 -9.758 3.696 4.598 543 1HG1 VAL 74 1HG1 VAL 74 -8.904 5.177 2.707 544 2HG1 VAL 74 2HG1 VAL 74 -10.530 4.533 2.487 545 3HG1 VAL 74 3HG1 VAL 74 -9.170 3.807 1.629 546 1HG2 VAL 74 1HG2 VAL 74 -9.222 1.495 2.584 547 2HG2 VAL 74 2HG2 VAL 74 -10.840 2.053 3.006 548 3HG2 VAL 74 3HG2 VAL 74 -9.815 1.310 4.233 549 H VAL 75 H VAL 75 -6.069 5.026 3.475 550 HA VAL 75 HA VAL 75 -6.241 6.217 6.216 551 HB VAL 75 HB VAL 75 -4.019 7.171 5.743 552 1HG1 VAL 75 1HG1 VAL 75 -4.263 4.876 6.722 553 2HG1 VAL 75 2HG1 VAL 75 -2.765 5.090 5.815 554 3HG1 VAL 75 3HG1 VAL 75 -4.115 4.210 5.096 555 1HG2 VAL 75 1HG2 VAL 75 -4.121 7.484 3.359 556 2HG2 VAL 75 2HG2 VAL 75 -4.418 5.766 3.088 557 3HG2 VAL 75 3HG2 VAL 75 -2.841 6.307 3.661 558 H GLU 76 H GLU 76 -5.807 8.660 6.186 559 HA GLU 76 HA GLU 76 -7.398 9.876 3.963 560 1HB GLU 76 2HB GLU 76 -6.904 11.287 6.561 561 2HB GLU 76 1HB GLU 76 -8.301 11.376 5.489 562 1HG GLU 76 2HG GLU 76 -8.753 8.935 6.114 563 2HG GLU 76 1HG GLU 76 -7.572 9.155 7.404 564 H LYS 77 H LYS 77 -6.533 11.617 2.852 565 HA LYS 77 HA LYS 77 -3.713 11.906 2.704 566 1HB LYS 77 2HB LYS 77 -6.078 13.383 1.656 567 2HB LYS 77 1HB LYS 77 -4.550 14.259 1.659 568 1HG LYS 77 2HG LYS 77 -4.634 11.447 0.594 569 2HG LYS 77 1HG LYS 77 -5.201 12.775 -0.419 570 1HD LYS 77 2HD LYS 77 -3.020 13.941 -0.031 571 2HD LYS 77 1HD LYS 77 -2.458 12.521 0.850 572 1HE LYS 77 2HE LYS 77 -2.541 11.152 -1.088 573 2HE LYS 77 1HE LYS 77 -3.517 12.325 -1.972 574 1HZ LYS 77 1HZ LYS 77 -1.549 13.872 -1.680 575 2HZ LYS 77 2HZ LYS 77 -1.361 12.594 -2.784 576 3HZ LYS 77 3HZ LYS 77 -0.658 12.497 -1.240 577 H LYS 78 H LYS 78 -6.030 13.363 4.856 578 HA LYS 78 HA LYS 78 -3.870 15.152 5.916 579 1HB LYS 78 2HB LYS 78 -6.689 15.645 5.266 580 2HB LYS 78 1HB LYS 78 -6.287 16.129 6.911 581 1HG LYS 78 2HG LYS 78 -5.876 18.026 5.482 582 2HG LYS 78 1HG LYS 78 -4.308 17.388 5.971 583 1HD LYS 78 2HD LYS 78 -4.237 17.842 3.589 584 2HD LYS 78 1HD LYS 78 -4.226 16.095 3.822 585 1HE LYS 78 2HE LYS 78 -6.901 17.385 3.537 586 2HE LYS 78 1HE LYS 78 -5.898 17.302 2.089 587 1HZ LYS 78 1HZ LYS 78 -5.834 14.853 3.528 588 2HZ LYS 78 2HZ LYS 78 -6.272 15.142 1.912 589 3HZ LYS 78 3HZ LYS 78 -7.430 15.284 3.146 590 H ASP 79 H ASP 79 -4.880 12.256 6.580 591 HA ASP 79 HA ASP 79 -4.613 12.634 9.482 592 1HB ASP 79 2HB ASP 79 -7.166 12.641 8.494 593 2HB ASP 79 1HB ASP 79 -6.942 10.926 8.820 594 HA PRO 80 HA PRO 80 -2.730 8.797 7.556 595 1HB PRO 80 2HB PRO 80 -0.359 9.395 9.080 596 2HB PRO 80 1HB PRO 80 -0.569 9.427 7.327 597 1HG PRO 80 2HG PRO 80 -0.238 11.658 9.067 598 2HG PRO 80 1HG PRO 80 -0.552 11.686 7.330 599 1HD PRO 80 2HD PRO 80 -2.365 12.358 9.506 600 2HD PRO 80 1HD PRO 80 -2.627 12.529 7.753 601 H GLY 81 H GLY 81 -3.111 10.028 10.798 602 1HA GLY 81 2HA GLY 81 -2.531 7.366 11.986 603 2HA GLY 81 1HA GLY 81 -2.794 8.858 12.888 604 H LYS 82 H LYS 82 -5.030 8.339 10.344 605 HA LYS 82 HA LYS 82 -6.985 7.032 12.174 606 1HB LYS 82 2HB LYS 82 -7.384 9.668 10.737 607 2HB LYS 82 1HB LYS 82 -8.700 8.732 11.441 608 1HG LYS 82 2HG LYS 82 -7.393 8.790 13.635 609 2HG LYS 82 1HG LYS 82 -6.354 9.993 12.874 610 1HD LYS 82 2HD LYS 82 -7.888 11.446 13.777 611 2HD LYS 82 1HD LYS 82 -8.758 11.079 12.289 612 1HE LYS 82 2HE LYS 82 -9.133 9.621 14.925 613 2HE LYS 82 1HE LYS 82 -10.210 10.867 14.295 614 1HZ LYS 82 1HZ LYS 82 -9.618 8.232 13.070 615 2HZ LYS 82 2HZ LYS 82 -10.503 9.459 12.298 616 3HZ LYS 82 3HZ LYS 82 -11.095 8.747 13.723 617 H THR 83 H THR 83 -8.439 5.705 11.087 618 HA THR 83 HA THR 83 -7.815 5.111 8.288 619 HB THR 83 HB THR 83 -9.494 3.316 8.549 620 HG1 THR 83 1HG THR 83 -9.825 4.054 11.226 621 1HG2 THR 83 1HG2 THR 83 -7.214 2.904 9.349 622 2HG2 THR 83 2HG2 THR 83 -8.380 2.100 10.401 623 3HG2 THR 83 3HG2 THR 83 -7.621 3.608 10.915 624 H CYS 84 H CYS 84 -9.313 5.325 6.535 625 HA CYS 84 HA CYS 84 -11.105 7.630 6.804 626 1HB CYS 84 2HB CYS 84 -9.612 7.051 4.773 627 2HB CYS 84 1HB CYS 84 -10.853 5.866 4.366 628 H ASP 85 H ASP 85 -13.175 6.934 5.049 629 HA ASP 85 HA ASP 85 -14.776 5.188 6.814 630 1HB ASP 85 2HB ASP 85 -15.634 7.397 5.929 631 2HB ASP 85 1HB ASP 85 -15.660 6.669 4.323 632 H VAL 86 H VAL 86 -15.731 3.249 6.119 633 HA VAL 86 HA VAL 86 -14.917 2.246 3.421 634 HB VAL 86 HB VAL 86 -14.963 0.565 5.938 635 1HG1 VAL 86 1HG1 VAL 86 -14.045 0.138 3.088 636 2HG1 VAL 86 2HG1 VAL 86 -15.221 -0.804 4.003 637 3HG1 VAL 86 3HG1 VAL 86 -13.509 -0.897 4.411 638 1HG2 VAL 86 1HG2 VAL 86 -12.455 0.675 5.752 639 2HG2 VAL 86 2HG2 VAL 86 -13.201 2.210 6.198 640 3HG2 VAL 86 3HG2 VAL 86 -12.651 1.944 4.544 641 H THR 87 H THR 87 -16.296 0.278 2.815 642 HA THR 87 HA THR 87 -18.985 0.332 4.087 643 HB THR 87 HB THR 87 -18.480 0.652 1.114 644 HG1 THR 87 1HG THR 87 -20.030 2.477 2.401 645 1HG2 THR 87 1HG2 THR 87 -20.428 -0.709 1.418 646 2HG2 THR 87 2HG2 THR 87 -21.006 0.927 1.100 647 3HG2 THR 87 3HG2 THR 87 -21.001 0.300 2.748 648 H GLY 88 H GLY 88 -16.676 -1.243 1.933 649 1HA GLY 88 2HA GLY 88 -17.232 -3.851 2.909 650 2HA GLY 88 1HA GLY 88 -18.170 -3.621 1.433 651 H TRP 89 H TRP 89 -16.787 -5.336 0.521 652 HA TRP 89 HA TRP 89 -14.316 -4.174 -0.652 653 1HB TRP 89 2HB TRP 89 -14.323 -6.993 0.433 654 2HB TRP 89 1HB TRP 89 -12.941 -6.011 -0.055 655 HD1 TRP 89 HD TRP 89 -12.835 -3.566 1.475 656 HE1 TRP 89 1HE TRP 89 -12.958 -3.396 4.044 657 HE3 TRP 89 3HE TRP 89 -15.060 -8.035 2.548 658 HZ2 TRP 89 2HZ TRP 89 -13.880 -4.952 6.262 659 HZ3 TRP 89 3HZ TRP 89 -15.549 -8.664 4.893 660 HH2 TRP 89 HH TRP 89 -14.963 -7.130 6.751 661 H VAL 90 H VAL 90 -14.391 -4.498 -2.817 662 HA VAL 90 HA VAL 90 -16.037 -6.784 -3.841 663 HB VAL 90 HB VAL 90 -15.440 -4.203 -5.301 664 1HG1 VAL 90 1HG1 VAL 90 -17.350 -4.938 -6.689 665 2HG1 VAL 90 2HG1 VAL 90 -17.499 -6.394 -5.706 666 3HG1 VAL 90 3HG1 VAL 90 -16.060 -6.140 -6.694 667 1HG2 VAL 90 1HG2 VAL 90 -17.868 -4.976 -3.651 668 2HG2 VAL 90 2HG2 VAL 90 -17.762 -3.551 -4.685 669 3HG2 VAL 90 3HG2 VAL 90 -16.722 -3.692 -3.269 670 H LEU 91 H LEU 91 -15.128 -8.054 -5.475 671 HA LEU 91 HA LEU 91 -12.223 -8.053 -5.620 672 1HB LEU 91 2HB LEU 91 -14.389 -9.691 -6.947 673 2HB LEU 91 1HB LEU 91 -12.684 -9.912 -7.334 674 HG LEU 91 HG LEU 91 -12.208 -10.316 -4.930 675 1HD1 LEU 91 1HD1 LEU 91 -13.885 -9.159 -3.750 676 2HD1 LEU 91 2HD1 LEU 91 -14.357 -10.845 -3.553 677 3HD1 LEU 91 3HD1 LEU 91 -15.179 -9.833 -4.740 678 1HD2 LEU 91 1HD2 LEU 91 -14.373 -12.044 -6.170 679 2HD2 LEU 91 2HD2 LEU 91 -13.377 -12.528 -4.798 680 3HD2 LEU 91 3HD2 LEU 91 -12.632 -12.240 -6.371 Start of MODEL 3 1 1H GLN 1 1HT GLN 1 -1.860 -3.994 -15.911 2 2H GLN 1 2HT GLN 1 -1.814 -2.992 -14.540 3 3H GLN 1 3HT GLN 1 -2.848 -4.340 -14.578 4 HA GLN 1 HA GLN 1 -1.277 -5.685 -13.823 5 1HB GLN 1 2HB GLN 1 0.007 -4.596 -16.258 6 2HB GLN 1 1HB GLN 1 1.137 -5.211 -15.054 7 1HG GLN 1 2HG GLN 1 0.465 -6.989 -16.633 8 2HG GLN 1 1HG GLN 1 -0.078 -7.354 -14.994 9 1HE2 GLN 1 1HE2 GLN 1 -1.629 -8.745 -16.517 10 2HE2 GLN 1 2HE2 GLN 1 -3.092 -7.992 -16.934 11 H CYS 2 H CYS 2 -1.055 -4.864 -11.746 12 HA CYS 2 HA CYS 2 -0.031 -3.746 -9.954 13 1HB CYS 2 2HB CYS 2 1.988 -4.811 -11.201 14 2HB CYS 2 1HB CYS 2 2.296 -3.176 -11.787 15 H TYR 3 H TYR 3 1.116 -1.523 -9.455 16 HA TYR 3 HA TYR 3 0.169 0.576 -11.352 17 1HB TYR 3 2HB TYR 3 -1.537 0.148 -9.524 18 2HB TYR 3 1HB TYR 3 -0.325 0.692 -8.366 19 HD1 TYR 3 1HD TYR 3 -1.791 1.789 -11.650 20 HD2 TYR 3 2HD TYR 3 -0.365 2.942 -7.765 21 HE1 TYR 3 1HE TYR 3 -2.397 4.145 -12.126 22 HE2 TYR 3 2HE TYR 3 -0.969 5.298 -8.243 23 HH TYR 3 HH TYR 3 -3.011 6.269 -10.401 24 H PHE 4 H PHE 4 1.376 2.521 -11.237 25 HA PHE 4 HA PHE 4 3.926 2.306 -9.680 26 1HB PHE 4 2HB PHE 4 3.223 3.433 -12.367 27 2HB PHE 4 1HB PHE 4 4.533 4.193 -11.465 28 HD1 PHE 4 1HD PHE 4 3.353 1.008 -12.959 29 HD2 PHE 4 2HD PHE 4 6.642 3.093 -11.149 30 HE1 PHE 4 1HE PHE 4 4.887 -0.818 -13.642 31 HE2 PHE 4 2HE PHE 4 8.176 1.267 -11.830 32 HZ PHE 4 HZ PHE 4 7.298 -0.689 -13.076 33 H ILE 5 H ILE 5 4.588 4.072 -8.433 34 HA ILE 5 HA ILE 5 2.780 6.436 -8.319 35 HB ILE 5 HB ILE 5 3.648 4.723 -5.983 36 1HG1 ILE 5 2HG1 ILE 5 0.885 5.638 -6.826 37 2HG1 ILE 5 1HG1 ILE 5 1.586 4.101 -7.331 38 1HG2 ILE 5 1HG2 ILE 5 2.338 6.479 -4.658 39 2HG2 ILE 5 2HG2 ILE 5 2.474 7.508 -6.084 40 3HG2 ILE 5 3HG2 ILE 5 3.928 6.973 -5.241 41 1HD1 ILE 5 1HD1 ILE 5 1.311 4.941 -4.436 42 2HD1 ILE 5 2HD1 ILE 5 1.773 3.351 -5.046 43 3HD1 ILE 5 3HD1 ILE 5 0.128 3.943 -5.280 44 HA PRO 6 HA PRO 6 7.031 8.041 -8.566 45 1HB PRO 6 2HB PRO 6 5.979 10.713 -8.330 46 2HB PRO 6 1HB PRO 6 6.618 9.910 -9.767 47 1HG PRO 6 2HG PRO 6 3.888 10.552 -9.186 48 2HG PRO 6 1HG PRO 6 4.529 9.731 -10.611 49 1HD PRO 6 2HD PRO 6 2.985 8.593 -8.452 50 2HD PRO 6 1HD PRO 6 3.619 7.768 -9.899 51 H ASN 7 H ASN 7 8.296 8.044 -6.762 52 HA ASN 7 HA ASN 7 7.491 8.242 -4.111 53 1HB ASN 7 2HB ASN 7 9.782 7.596 -4.894 54 2HB ASN 7 1HB ASN 7 10.118 9.301 -5.195 55 1HD2 ASN 7 1HD2 ASN 7 9.458 6.932 -2.618 56 2HD2 ASN 7 2HD2 ASN 7 10.023 7.907 -1.348 57 H GLN 8 H GLN 8 7.392 9.961 -2.578 58 HA GLN 8 HA GLN 8 7.311 12.714 -3.760 59 1HB GLN 8 2HB GLN 8 5.548 11.955 -1.450 60 2HB GLN 8 1HB GLN 8 5.305 13.195 -2.680 61 1HG GLN 8 2HG GLN 8 3.785 11.548 -3.350 62 2HG GLN 8 1HG GLN 8 5.196 11.163 -4.335 63 1HE2 GLN 8 1HE2 GLN 8 5.506 8.936 -4.359 64 2HE2 GLN 8 2HE2 GLN 8 5.304 7.906 -3.023 65 H SER 9 H SER 9 8.991 10.780 -1.742 66 HA SER 9 HA SER 9 9.225 12.091 0.724 67 1HB SER 9 2HB SER 9 10.457 9.984 -0.183 68 2HB SER 9 1HB SER 9 11.669 11.126 -0.753 69 HG SER 9 HG SER 9 11.905 10.214 1.455 70 H LEU 10 H LEU 10 11.332 13.423 1.312 71 HA LEU 10 HA LEU 10 11.246 15.829 -0.396 72 1HB LEU 10 2HB LEU 10 12.290 15.201 2.357 73 2HB LEU 10 1HB LEU 10 12.831 16.659 1.524 74 HG LEU 10 HG LEU 10 10.466 17.336 1.207 75 1HD1 LEU 10 1HD1 LEU 10 9.334 15.226 1.175 76 2HD1 LEU 10 2HD1 LEU 10 8.768 16.063 2.619 77 3HD1 LEU 10 3HD1 LEU 10 9.974 14.784 2.758 78 1HD2 LEU 10 1HD2 LEU 10 11.641 18.187 3.160 79 2HD2 LEU 10 2HD2 LEU 10 11.308 16.703 4.053 80 3HD2 LEU 10 3HD2 LEU 10 9.987 17.793 3.629 81 H LYS 11 H LYS 11 13.421 13.191 0.363 82 HA LYS 11 HA LYS 11 15.307 14.277 -1.660 83 1HB LYS 11 2HB LYS 11 17.194 13.426 -0.093 84 2HB LYS 11 1HB LYS 11 16.436 14.968 0.294 85 1HG LYS 11 2HG LYS 11 14.956 13.852 1.911 86 2HG LYS 11 1HG LYS 11 15.685 12.295 1.510 87 1HD LYS 11 2HD LYS 11 17.916 13.260 2.190 88 2HD LYS 11 1HD LYS 11 17.051 14.676 2.787 89 1HE LYS 11 2HE LYS 11 15.829 13.348 4.387 90 2HE LYS 11 1HE LYS 11 16.443 11.849 3.688 91 1HZ LYS 11 1HZ LYS 11 18.249 13.916 4.786 92 2HZ LYS 11 2HZ LYS 11 18.587 12.282 4.463 93 3HZ LYS 11 3HZ LYS 11 17.581 12.704 5.767 94 HA PRO 12 HA PRO 12 15.243 10.161 -3.261 95 1HB PRO 12 2HB PRO 12 18.095 9.996 -3.637 96 2HB PRO 12 1HB PRO 12 16.848 10.322 -4.843 97 1HG PRO 12 2HG PRO 12 18.729 12.173 -3.650 98 2HG PRO 12 1HG PRO 12 17.590 12.457 -4.970 99 1HD PRO 12 2HD PRO 12 17.415 13.500 -2.336 100 2HD PRO 12 1HD PRO 12 16.148 13.560 -3.586 101 H ASN 13 H ASN 13 17.031 8.104 -3.063 102 HA ASN 13 HA ASN 13 17.642 6.371 -1.611 103 1HB ASN 13 2HB ASN 13 19.336 8.331 -1.120 104 2HB ASN 13 1HB ASN 13 18.468 8.439 0.411 105 1HD2 ASN 13 1HD2 ASN 13 17.895 5.671 0.830 106 2HD2 ASN 13 2HD2 ASN 13 19.359 4.844 1.062 107 H GLU 14 H GLU 14 14.931 7.201 -1.458 108 HA GLU 14 HA GLU 14 14.323 6.320 1.301 109 1HB GLU 14 2HB GLU 14 13.420 8.927 0.077 110 2HB GLU 14 1HB GLU 14 12.491 8.140 1.353 111 1HG GLU 14 2HG GLU 14 14.480 8.129 2.802 112 2HG GLU 14 1HG GLU 14 15.410 8.921 1.531 113 H CYS 15 H CYS 15 11.823 6.028 1.449 114 HA CYS 15 HA CYS 15 10.558 5.359 -1.132 115 1HB CYS 15 2HB CYS 15 11.542 3.324 0.836 116 2HB CYS 15 1HB CYS 15 10.020 3.011 0.000 117 H GLN 16 H GLN 16 9.280 7.185 -0.135 118 HA GLN 16 HA GLN 16 7.507 6.309 2.093 119 1HB GLN 16 2HB GLN 16 8.700 8.580 2.088 120 2HB GLN 16 1HB GLN 16 7.584 9.042 0.802 121 1HG GLN 16 2HG GLN 16 5.694 8.326 2.349 122 2HG GLN 16 1HG GLN 16 6.901 8.215 3.631 123 1HE2 GLN 16 1HE2 GLN 16 8.496 10.510 2.637 124 2HE2 GLN 16 2HE2 GLN 16 7.587 11.903 2.978 125 H ASP 17 H ASP 17 5.228 6.297 1.831 126 HA ASP 17 HA ASP 17 4.103 6.915 -0.828 127 1HB ASP 17 2HB ASP 17 4.969 4.451 -0.725 128 2HB ASP 17 1HB ASP 17 3.577 4.173 0.322 129 H LEU 18 H LEU 18 1.810 7.231 -0.710 130 HA LEU 18 HA LEU 18 -0.115 7.981 0.423 131 1HB LEU 18 2HB LEU 18 0.652 5.490 1.969 132 2HB LEU 18 1HB LEU 18 -0.826 6.390 2.301 133 HG LEU 18 HG LEU 18 -1.428 6.143 -0.138 134 1HD1 LEU 18 1HD1 LEU 18 -0.205 4.106 -1.199 135 2HD1 LEU 18 2HD1 LEU 18 1.071 4.457 -0.034 136 3HD1 LEU 18 3HD1 LEU 18 0.608 5.670 -1.227 137 1HD2 LEU 18 1HD2 LEU 18 -2.283 4.660 1.721 138 2HD2 LEU 18 2HD2 LEU 18 -1.008 3.514 1.310 139 3HD2 LEU 18 3HD2 LEU 18 -2.265 3.892 0.134 140 H LYS 19 H LYS 19 -0.547 7.691 3.334 141 HA LYS 19 HA LYS 19 1.472 9.695 4.276 142 1HB LYS 19 2HB LYS 19 -1.348 9.875 4.138 143 2HB LYS 19 1HB LYS 19 -0.975 9.656 5.846 144 1HG LYS 19 2HG LYS 19 -0.901 12.009 5.476 145 2HG LYS 19 1HG LYS 19 0.783 11.493 5.553 146 1HD LYS 19 2HD LYS 19 0.436 11.205 2.915 147 2HD LYS 19 1HD LYS 19 -0.813 12.417 3.195 148 1HE LYS 19 2HE LYS 19 2.130 12.647 3.874 149 2HE LYS 19 1HE LYS 19 1.237 13.583 2.674 150 1HZ LYS 19 1HZ LYS 19 1.287 13.843 5.570 151 2HZ LYS 19 2HZ LYS 19 -0.222 14.072 4.824 152 3HZ LYS 19 3HZ LYS 19 1.104 15.034 4.377 153 H GLY 20 H GLY 20 1.139 6.579 4.460 154 1HA GLY 20 2HA GLY 20 1.610 6.444 7.418 155 2HA GLY 20 1HA GLY 20 0.777 5.167 6.536 156 H VAL 21 H VAL 21 2.532 5.229 4.219 157 HA VAL 21 HA VAL 21 4.636 3.511 5.252 158 HB VAL 21 HB VAL 21 4.361 4.637 2.457 159 1HG1 VAL 21 1HG1 VAL 21 5.629 2.093 3.519 160 2HG1 VAL 21 2HG1 VAL 21 6.513 3.530 3.006 161 3HG1 VAL 21 3HG1 VAL 21 5.584 2.601 1.830 162 1HG2 VAL 21 1HG2 VAL 21 2.254 3.573 3.153 163 2HG2 VAL 21 2HG2 VAL 21 3.140 2.144 3.686 164 3HG2 VAL 21 3HG2 VAL 21 3.087 2.562 1.973 165 H SER 22 H SER 22 6.846 3.967 5.411 166 HA SER 22 HA SER 22 8.109 6.304 4.344 167 1HB SER 22 2HB SER 22 6.851 7.618 5.895 168 2HB SER 22 1HB SER 22 7.117 6.462 7.197 169 HG SER 22 HG SER 22 8.561 8.564 6.617 170 H HIS 23 H HIS 23 9.838 4.890 3.924 171 HA HIS 23 HA HIS 23 11.503 4.238 6.271 172 1HB HIS 23 2HB HIS 23 10.188 2.211 4.503 173 2HB HIS 23 1HB HIS 23 11.827 1.879 5.060 174 HD1 HIS 23 1HD HIS 23 12.093 1.066 7.426 175 HD2 HIS 23 2HD HIS 23 8.297 2.642 6.731 176 HE1 HIS 23 1HE HIS 23 10.728 0.586 9.505 177 HA PRO 24 HA PRO 24 14.690 5.568 3.487 178 1HB PRO 24 2HB PRO 24 16.595 3.617 4.416 179 2HB PRO 24 1HB PRO 24 16.488 5.327 4.841 180 1HG PRO 24 2HG PRO 24 15.794 3.032 6.452 181 2HG PRO 24 1HG PRO 24 15.799 4.737 6.913 182 1HD PRO 24 2HD PRO 24 13.512 3.078 6.514 183 2HD PRO 24 1HD PRO 24 13.526 4.837 6.791 184 H LEU 25 H LEU 25 15.884 4.840 1.587 185 HA LEU 25 HA LEU 25 14.619 2.785 0.083 186 1HB LEU 25 2HB LEU 25 15.881 4.638 -0.957 187 2HB LEU 25 1HB LEU 25 17.379 3.998 -0.283 188 HG LEU 25 HG LEU 25 17.064 1.909 -1.572 189 1HD1 LEU 25 1HD1 LEU 25 14.504 3.296 -2.318 190 2HD1 LEU 25 2HD1 LEU 25 14.771 1.607 -1.885 191 3HD1 LEU 25 3HD1 LEU 25 15.256 2.196 -3.473 192 1HD2 LEU 25 1HD2 LEU 25 18.391 3.624 -2.624 193 2HD2 LEU 25 2HD2 LEU 25 16.949 4.507 -3.126 194 3HD2 LEU 25 3HD2 LEU 25 17.332 2.952 -3.865 195 H ASN 26 H ASN 26 15.515 0.683 -0.560 196 HA ASN 26 HA ASN 26 17.845 -0.372 0.784 197 1HB ASN 26 2HB ASN 26 15.347 -0.499 2.169 198 2HB ASN 26 1HB ASN 26 15.759 -2.137 1.664 199 1HD2 ASN 26 1HD2 ASN 26 17.738 0.662 2.820 200 2HD2 ASN 26 2HD2 ASN 26 18.546 -0.224 4.021 201 H SER 27 H SER 27 14.769 -1.901 -0.210 202 HA SER 27 HA SER 27 15.847 -2.782 -2.758 203 1HB SER 27 2HB SER 27 15.612 -4.809 -0.516 204 2HB SER 27 1HB SER 27 15.885 -5.205 -2.209 205 HG SER 27 HG SER 27 17.745 -3.676 -1.963 206 H VAL 28 H VAL 28 14.265 -5.164 -2.920 207 HA VAL 28 HA VAL 28 11.539 -3.961 -2.880 208 HB VAL 28 HB VAL 28 11.050 -5.586 -4.656 209 1HG1 VAL 28 1HG1 VAL 28 12.136 -3.339 -5.145 210 2HG1 VAL 28 2HG1 VAL 28 12.353 -4.566 -6.394 211 3HG1 VAL 28 3HG1 VAL 28 13.667 -4.206 -5.274 212 1HG2 VAL 28 1HG2 VAL 28 12.453 -7.433 -4.019 213 2HG2 VAL 28 2HG2 VAL 28 13.905 -6.440 -4.145 214 3HG2 VAL 28 3HG2 VAL 28 13.012 -6.886 -5.599 215 H TRP 29 H TRP 29 9.767 -5.387 -2.226 216 HA TRP 29 HA TRP 29 10.509 -7.916 -0.886 217 1HB TRP 29 2HB TRP 29 9.217 -7.114 1.188 218 2HB TRP 29 1HB TRP 29 10.835 -6.454 0.958 219 HD1 TRP 29 HD TRP 29 7.139 -5.522 0.461 220 HE1 TRP 29 1HE TRP 29 6.942 -2.952 0.440 221 HE3 TRP 29 3HE TRP 29 12.084 -4.257 0.631 222 HZ2 TRP 29 2HZ TRP 29 8.657 -0.661 0.489 223 HZ3 TRP 29 3HZ TRP 29 12.773 -1.876 0.643 224 HH2 TRP 29 HH TRP 29 11.067 -0.079 0.572 225 H LYS 30 H LYS 30 8.805 -9.365 -0.829 226 HA LYS 30 HA LYS 30 6.213 -8.407 -1.980 227 1HB LYS 30 2HB LYS 30 5.911 -10.767 -2.730 228 2HB LYS 30 1HB LYS 30 7.311 -9.987 -3.463 229 1HG LYS 30 2HG LYS 30 8.777 -11.403 -2.452 230 2HG LYS 30 1HG LYS 30 7.925 -11.333 -0.911 231 1HD LYS 30 2HD LYS 30 6.333 -12.973 -1.607 232 2HD LYS 30 1HD LYS 30 6.867 -12.875 -3.285 233 1HE LYS 30 2HE LYS 30 9.075 -13.775 -2.636 234 2HE LYS 30 1HE LYS 30 8.533 -13.889 -0.961 235 1HZ LYS 30 1HZ LYS 30 6.577 -15.175 -2.280 236 2HZ LYS 30 2HZ LYS 30 7.910 -15.938 -1.551 237 3HZ LYS 30 3HZ LYS 30 7.930 -15.589 -3.214 238 H THR 31 H THR 31 4.329 -9.877 -1.240 239 HA THR 31 HA THR 31 4.682 -10.547 1.662 240 HB THR 31 HB THR 31 2.498 -9.674 2.104 241 HG1 THR 31 1HG THR 31 1.353 -10.311 0.353 242 1HG2 THR 31 1HG2 THR 31 4.296 -7.983 1.862 243 2HG2 THR 31 2HG2 THR 31 2.720 -7.334 1.406 244 3HG2 THR 31 3HG2 THR 31 3.875 -7.802 0.159 245 H LYS 32 H LYS 32 2.312 -11.778 2.175 246 HA LYS 32 HA LYS 32 2.656 -14.365 0.972 247 1HB LYS 32 2HB LYS 32 0.576 -13.116 2.756 248 2HB LYS 32 1HB LYS 32 0.297 -14.715 2.071 249 1HG LYS 32 2HG LYS 32 2.925 -14.146 3.415 250 2HG LYS 32 1HG LYS 32 1.505 -14.466 4.411 251 1HD LYS 32 2HD LYS 32 1.135 -16.581 3.122 252 2HD LYS 32 1HD LYS 32 2.647 -16.280 2.266 253 1HE LYS 32 2HE LYS 32 3.930 -16.467 4.275 254 2HE LYS 32 1HE LYS 32 2.485 -16.413 5.283 255 1HZ LYS 32 1HZ LYS 32 2.840 -18.539 3.270 256 2HZ LYS 32 2HZ LYS 32 1.869 -18.541 4.664 257 3HZ LYS 32 3HZ LYS 32 3.557 -18.675 4.801 258 H ASP 33 H ASP 33 2.536 -13.160 -1.290 259 HA ASP 33 HA ASP 33 1.362 -12.844 -3.299 260 1HB ASP 33 2HB ASP 33 -0.491 -14.872 -2.007 261 2HB ASP 33 1HB ASP 33 -0.432 -14.478 -3.725 262 H CYS 34 H CYS 34 0.347 -11.622 -0.496 263 HA CYS 34 HA CYS 34 -2.375 -10.825 -1.295 264 1HB CYS 34 2HB CYS 34 -0.636 -10.163 1.097 265 2HB CYS 34 1HB CYS 34 -2.239 -9.470 0.849 266 H GLU 35 H GLU 35 0.881 -9.529 -1.298 267 HA GLU 35 HA GLU 35 0.009 -7.317 -3.016 268 1HB GLU 35 2HB GLU 35 -0.461 -6.296 -0.879 269 2HB GLU 35 1HB GLU 35 1.085 -6.828 -0.222 270 1HG GLU 35 2HG GLU 35 2.309 -5.316 -1.581 271 2HG GLU 35 1HG GLU 35 0.926 -5.020 -2.635 272 H GLU 36 H GLU 36 1.984 -6.008 -3.701 273 HA GLU 36 HA GLU 36 4.586 -7.347 -3.260 274 1HB GLU 36 2HB GLU 36 3.395 -8.454 -5.238 275 2HB GLU 36 1HB GLU 36 3.567 -6.912 -6.075 276 1HG GLU 36 2HG GLU 36 6.012 -7.005 -5.752 277 2HG GLU 36 1HG GLU 36 5.842 -8.552 -4.921 278 H CYS 37 H CYS 37 5.540 -5.477 -2.466 279 HA CYS 37 HA CYS 37 5.312 -3.007 -4.127 280 1HB CYS 37 2HB CYS 37 5.682 -3.508 -1.208 281 2HB CYS 37 1HB CYS 37 6.416 -2.059 -1.896 282 H THR 38 H THR 38 7.105 -2.130 -5.041 283 HA THR 38 HA THR 38 9.768 -3.291 -4.336 284 HB THR 38 HB THR 38 10.366 -3.373 -6.666 285 HG1 THR 38 1HG THR 38 7.796 -2.333 -7.227 286 1HG2 THR 38 1HG2 THR 38 8.670 -4.946 -7.568 287 2HG2 THR 38 2HG2 THR 38 7.573 -4.477 -6.269 288 3HG2 THR 38 3HG2 THR 38 9.084 -5.306 -5.892 289 H CYS 39 H CYS 39 11.494 -1.779 -4.447 290 HA CYS 39 HA CYS 39 10.615 1.074 -4.690 291 1HB CYS 39 2HB CYS 39 12.532 -0.354 -2.908 292 2HB CYS 39 1HB CYS 39 12.988 1.270 -3.421 293 H GLY 40 H GLY 40 11.080 1.662 -6.779 294 1HA GLY 40 2HA GLY 40 13.575 0.717 -8.053 295 2HA GLY 40 1HA GLY 40 12.302 1.652 -8.839 296 H GLN 41 H GLN 41 14.397 2.832 -9.551 297 HA GLN 41 HA GLN 41 16.007 4.364 -7.856 298 1HB GLN 41 2HB GLN 41 14.923 4.893 -10.622 299 2HB GLN 41 1HB GLN 41 15.968 6.065 -9.821 300 1HG GLN 41 2HG GLN 41 17.165 4.383 -11.308 301 2HG GLN 41 1HG GLN 41 17.761 4.483 -9.651 302 1HE2 GLN 41 1HE2 GLN 41 17.545 2.617 -8.312 303 2HE2 GLN 41 2HE2 GLN 41 16.867 1.158 -8.855 304 H ASP 42 H ASP 42 13.675 6.237 -9.701 305 HA ASP 42 HA ASP 42 12.876 7.601 -7.158 306 1HB ASP 42 2HB ASP 42 12.317 9.532 -8.647 307 2HB ASP 42 1HB ASP 42 14.024 9.091 -8.705 308 H ALA 43 H ALA 43 11.613 5.155 -8.186 309 HA ALA 43 HA ALA 43 8.845 6.186 -8.298 310 1HB ALA 43 1HB ALA 43 9.252 6.033 -10.645 311 2HB ALA 43 2HB ALA 43 8.363 4.569 -10.223 312 3HB ALA 43 3HB ALA 43 10.108 4.502 -10.470 313 H ILE 44 H ILE 44 7.441 4.813 -7.253 314 HA ILE 44 HA ILE 44 8.586 2.230 -6.256 315 HB ILE 44 HB ILE 44 6.345 3.931 -5.115 316 1HG1 ILE 44 2HG1 ILE 44 9.088 3.419 -3.944 317 2HG1 ILE 44 1HG1 ILE 44 8.750 4.813 -4.970 318 1HG2 ILE 44 1HG2 ILE 44 6.641 2.376 -3.152 319 2HG2 ILE 44 2HG2 ILE 44 7.689 1.385 -4.167 320 3HG2 ILE 44 3HG2 ILE 44 5.991 1.595 -4.593 321 1HD1 ILE 44 1HD1 ILE 44 8.520 5.200 -2.454 322 2HD1 ILE 44 2HD1 ILE 44 7.095 4.165 -2.524 323 3HD1 ILE 44 3HD1 ILE 44 7.135 5.674 -3.436 324 H SER 45 H SER 45 7.649 0.400 -7.038 325 HA SER 45 HA SER 45 5.005 0.660 -8.419 326 1HB SER 45 2HB SER 45 7.041 -0.122 -9.741 327 2HB SER 45 1HB SER 45 7.020 -1.575 -8.746 328 HG SER 45 HG SER 45 4.993 -0.593 -10.472 329 H CYS 46 H CYS 46 3.362 -0.082 -7.179 330 HA CYS 46 HA CYS 46 3.860 -2.500 -5.484 331 1HB CYS 46 2HB CYS 46 2.300 0.009 -4.872 332 2HB CYS 46 1HB CYS 46 2.002 -1.499 -4.008 333 H CYS 47 H CYS 47 2.531 -4.174 -5.914 334 HA CYS 47 HA CYS 47 0.145 -3.651 -7.642 335 1HB CYS 47 2HB CYS 47 1.244 -6.408 -7.268 336 2HB CYS 47 1HB CYS 47 0.528 -5.671 -8.702 337 H ASN 48 H ASN 48 -1.839 -4.694 -7.070 338 HA ASN 48 HA ASN 48 -1.913 -6.037 -4.409 339 1HB ASN 48 2HB ASN 48 -3.904 -3.881 -5.123 340 2HB ASN 48 1HB ASN 48 -3.587 -4.601 -3.544 341 1HD2 ASN 48 1HD2 ASN 48 -2.034 -2.556 -6.059 342 2HD2 ASN 48 2HD2 ASN 48 -1.021 -1.729 -4.977 343 H THR 49 H THR 49 -3.161 -7.833 -4.522 344 HA THR 49 HA THR 49 -5.303 -7.949 -6.612 345 HB THR 49 HB THR 49 -3.274 -10.079 -5.877 346 HG1 THR 49 1HG THR 49 -2.858 -8.303 -7.453 347 1HG2 THR 49 1HG2 THR 49 -5.128 -11.410 -6.234 348 2HG2 THR 49 2HG2 THR 49 -4.595 -11.196 -7.901 349 3HG2 THR 49 3HG2 THR 49 -5.917 -10.217 -7.268 350 H ALA 50 H ALA 50 -4.845 -7.782 -3.425 351 HA ALA 50 HA ALA 50 -6.645 -10.015 -2.665 352 1HB ALA 50 1HB ALA 50 -4.523 -9.236 -1.354 353 2HB ALA 50 2HB ALA 50 -5.982 -9.639 -0.448 354 3HB ALA 50 3HB ALA 50 -5.573 -7.951 -0.754 355 H ALA 51 H ALA 51 -8.642 -9.296 -3.539 356 HA ALA 51 HA ALA 51 -10.643 -8.070 -3.594 357 1HB ALA 51 1HB ALA 51 -10.910 -8.771 -1.326 358 2HB ALA 51 2HB ALA 51 -11.252 -7.041 -1.337 359 3HB ALA 51 3HB ALA 51 -9.694 -7.628 -0.757 360 H ILE 52 H ILE 52 -11.563 -5.787 -3.329 361 HA ILE 52 HA ILE 52 -9.485 -3.678 -3.384 362 HB ILE 52 HB ILE 52 -9.977 -4.627 -5.714 363 1HG1 ILE 52 2HG1 ILE 52 -10.315 -2.222 -6.659 364 2HG1 ILE 52 1HG1 ILE 52 -10.271 -1.715 -4.974 365 1HG2 ILE 52 1HG2 ILE 52 -12.032 -4.134 -6.761 366 2HG2 ILE 52 2HG2 ILE 52 -12.491 -2.978 -5.512 367 3HG2 ILE 52 3HG2 ILE 52 -12.496 -4.707 -5.159 368 1HD1 ILE 52 1HD1 ILE 52 -8.108 -3.454 -6.175 369 2HD1 ILE 52 2HD1 ILE 52 -8.046 -2.519 -4.682 370 3HD1 ILE 52 3HD1 ILE 52 -8.037 -1.695 -6.239 371 HA PRO 53 HA PRO 53 -12.787 -1.882 -0.885 372 1HB PRO 53 2HB PRO 53 -11.670 0.747 -1.247 373 2HB PRO 53 1HB PRO 53 -11.588 -0.293 0.178 374 1HG PRO 53 2HG PRO 53 -9.485 0.340 -1.677 375 2HG PRO 53 1HG PRO 53 -9.396 -0.662 -0.228 376 1HD PRO 53 2HD PRO 53 -9.278 -1.531 -2.956 377 2HD PRO 53 1HD PRO 53 -9.284 -2.549 -1.495 378 H THR 54 H THR 54 -14.787 -1.490 -1.733 379 HA THR 54 HA THR 54 -14.988 0.245 -4.171 380 HB THR 54 HB THR 54 -16.889 -1.027 -4.856 381 HG1 THR 54 1HG THR 54 -17.785 -1.216 -2.746 382 1HG2 THR 54 1HG2 THR 54 -14.557 -2.108 -5.013 383 2HG2 THR 54 2HG2 THR 54 -15.950 -3.172 -5.201 384 3HG2 THR 54 3HG2 THR 54 -15.076 -3.127 -3.670 385 H GLY 55 H GLY 55 -17.439 1.102 -4.249 386 1HA GLY 55 2HA GLY 55 -18.865 2.722 -3.316 387 2HA GLY 55 1HA GLY 55 -18.931 1.623 -1.937 388 H TYR 56 H TYR 56 -15.756 2.577 -2.553 389 HA TYR 56 HA TYR 56 -15.801 4.336 -0.179 390 1HB TYR 56 2HB TYR 56 -14.005 2.833 -0.043 391 2HB TYR 56 1HB TYR 56 -13.656 2.944 -1.766 392 HD1 TYR 56 1HD TYR 56 -14.209 5.701 0.701 393 HD2 TYR 56 2HD TYR 56 -11.415 3.685 -1.866 394 HE1 TYR 56 1HE TYR 56 -12.527 7.461 1.150 395 HE2 TYR 56 2HE TYR 56 -9.730 5.447 -1.414 396 HH TYR 56 HH TYR 56 -9.649 7.342 0.979 397 H ASP 57 H ASP 57 -16.218 6.459 -0.562 398 HA ASP 57 HA ASP 57 -15.694 7.647 -3.190 399 1HB ASP 57 2HB ASP 57 -16.805 8.730 -0.591 400 2HB ASP 57 1HB ASP 57 -16.530 9.752 -2.002 401 H THR 58 H THR 58 -13.571 8.083 -3.633 402 HA THR 58 HA THR 58 -11.600 8.656 -1.611 403 HB THR 58 HB THR 58 -10.086 9.001 -3.417 404 HG1 THR 58 1HG THR 58 -10.675 9.992 -5.169 405 1HG2 THR 58 1HG2 THR 58 -10.556 7.120 -4.917 406 2HG2 THR 58 2HG2 THR 58 -12.249 7.130 -4.422 407 3HG2 THR 58 3HG2 THR 58 -10.992 6.698 -3.261 408 H ASN 59 H ASN 59 -13.116 10.368 -0.591 409 HA ASN 59 HA ASN 59 -13.232 12.952 -1.956 410 1HB ASN 59 2HB ASN 59 -14.915 12.025 -0.230 411 2HB ASN 59 1HB ASN 59 -13.725 12.487 0.987 412 1HD2 ASN 59 1HD2 ASN 59 -15.850 13.789 -1.564 413 2HD2 ASN 59 2HD2 ASN 59 -15.800 15.395 -1.017 414 H LYS 60 H LYS 60 -11.396 11.564 0.769 415 HA LYS 60 HA LYS 60 -9.163 13.355 0.197 416 1HB LYS 60 2HB LYS 60 -10.784 14.747 1.580 417 2HB LYS 60 1HB LYS 60 -10.504 13.615 2.902 418 1HG LYS 60 2HG LYS 60 -8.233 14.219 3.106 419 2HG LYS 60 1HG LYS 60 -8.185 14.946 1.502 420 1HD LYS 60 2HD LYS 60 -10.058 16.090 3.554 421 2HD LYS 60 1HD LYS 60 -8.340 16.476 3.658 422 1HE LYS 60 2HE LYS 60 -10.111 16.923 1.236 423 2HE LYS 60 1HE LYS 60 -9.508 18.173 2.322 424 1HZ LYS 60 1HZ LYS 60 -8.147 16.750 0.209 425 2HZ LYS 60 2HZ LYS 60 -7.251 16.893 1.646 426 3HZ LYS 60 3HZ LYS 60 -7.834 18.284 0.862 427 H CYS 61 H CYS 61 -9.204 10.619 0.124 428 HA CYS 61 HA CYS 61 -7.232 9.949 2.173 429 1HB CYS 61 2HB CYS 61 -8.812 7.775 2.590 430 2HB CYS 61 1HB CYS 61 -8.825 9.193 3.633 431 H GLN 62 H GLN 62 -6.603 7.514 1.838 432 HA GLN 62 HA GLN 62 -6.920 6.772 -1.041 433 1HB GLN 62 2HB GLN 62 -4.757 7.972 -0.680 434 2HB GLN 62 1HB GLN 62 -4.307 6.742 0.500 435 1HG GLN 62 2HG GLN 62 -4.147 5.055 -1.125 436 2HG GLN 62 1HG GLN 62 -5.137 5.943 -2.282 437 1HE2 GLN 62 1HE2 GLN 62 -2.955 8.066 -0.773 438 2HE2 GLN 62 2HE2 GLN 62 -1.752 8.075 -1.970 439 H LYS 63 H LYS 63 -6.045 4.446 -1.363 440 HA LYS 63 HA LYS 63 -6.936 2.800 0.971 441 1HB LYS 63 2HB LYS 63 -7.207 1.011 -0.859 442 2HB LYS 63 1HB LYS 63 -8.357 2.349 -0.878 443 1HG LYS 63 2HG LYS 63 -7.229 3.432 -2.672 444 2HG LYS 63 1HG LYS 63 -5.802 2.411 -2.491 445 1HD LYS 63 2HD LYS 63 -7.196 0.433 -3.129 446 2HD LYS 63 1HD LYS 63 -8.545 1.528 -3.433 447 1HE LYS 63 2HE LYS 63 -7.398 2.609 -5.220 448 2HE LYS 63 1HE LYS 63 -5.857 1.877 -4.772 449 1HZ LYS 63 1HZ LYS 63 -8.197 0.251 -5.570 450 2HZ LYS 63 2HZ LYS 63 -6.564 -0.215 -5.500 451 3HZ LYS 63 3HZ LYS 63 -7.095 0.853 -6.709 452 H ILE 64 H ILE 64 -5.558 1.271 1.797 453 HA ILE 64 HA ILE 64 -2.962 0.806 0.388 454 HB ILE 64 HB ILE 64 -2.814 2.432 2.345 455 1HG1 ILE 64 2HG1 ILE 64 -1.310 -0.194 2.593 456 2HG1 ILE 64 1HG1 ILE 64 -0.873 1.128 1.511 457 1HG2 ILE 64 1HG2 ILE 64 -3.099 1.630 4.564 458 2HG2 ILE 64 2HG2 ILE 64 -3.201 -0.047 4.027 459 3HG2 ILE 64 3HG2 ILE 64 -4.521 1.070 3.686 460 1HD1 ILE 64 1HD1 ILE 64 -0.967 1.231 4.539 461 2HD1 ILE 64 2HD1 ILE 64 -0.674 2.628 3.505 462 3HD1 ILE 64 3HD1 ILE 64 0.477 1.293 3.529 463 H LEU 65 H LEU 65 -1.977 -1.277 0.947 464 HA LEU 65 HA LEU 65 -3.997 -3.254 1.929 465 1HB LEU 65 2HB LEU 65 -3.097 -3.305 -0.530 466 2HB LEU 65 1HB LEU 65 -1.642 -3.983 0.195 467 HG LEU 65 HG LEU 65 -4.390 -5.107 0.765 468 1HD1 LEU 65 1HD1 LEU 65 -2.558 -5.572 -1.566 469 2HD1 LEU 65 2HD1 LEU 65 -4.319 -5.483 -1.527 470 3HD1 LEU 65 3HD1 LEU 65 -3.497 -6.922 -0.928 471 1HD2 LEU 65 1HD2 LEU 65 -2.833 -5.906 2.353 472 2HD2 LEU 65 2HD2 LEU 65 -1.535 -6.011 1.164 473 3HD2 LEU 65 3HD2 LEU 65 -2.859 -7.175 1.130 474 H ASN 66 H ASN 66 -3.472 -3.673 4.028 475 HA ASN 66 HA ASN 66 -0.673 -3.657 4.919 476 1HB ASN 66 2HB ASN 66 -2.542 -2.827 6.363 477 2HB ASN 66 1HB ASN 66 -3.174 -4.472 6.431 478 1HD2 ASN 66 1HD2 ASN 66 0.216 -4.559 6.255 479 2HD2 ASN 66 2HD2 ASN 66 0.545 -4.736 7.911 480 H LYS 67 H LYS 67 0.576 -5.469 5.264 481 HA LYS 67 HA LYS 67 -0.509 -8.038 4.274 482 1HB LYS 67 2HB LYS 67 1.827 -8.798 4.352 483 2HB LYS 67 1HB LYS 67 1.713 -7.261 3.498 484 1HG LYS 67 2HG LYS 67 3.360 -6.568 4.908 485 2HG LYS 67 1HG LYS 67 2.074 -6.429 6.105 486 1HD LYS 67 2HD LYS 67 2.511 -8.859 6.700 487 2HD LYS 67 1HD LYS 67 3.944 -8.772 5.677 488 1HE LYS 67 2HE LYS 67 4.594 -8.321 7.980 489 2HE LYS 67 1HE LYS 67 4.743 -6.835 7.043 490 1HZ LYS 67 1HZ LYS 67 2.136 -7.219 8.192 491 2HZ LYS 67 2HZ LYS 67 3.143 -5.851 8.216 492 3HZ LYS 67 3HZ LYS 67 3.365 -7.093 9.353 493 H LYS 68 H LYS 68 -0.170 -6.456 7.239 494 HA LYS 68 HA LYS 68 0.652 -8.493 9.006 495 1HB LYS 68 2HB LYS 68 0.062 -6.033 9.521 496 2HB LYS 68 1HB LYS 68 -1.607 -6.590 9.641 497 1HG LYS 68 2HG LYS 68 -0.912 -6.806 11.852 498 2HG LYS 68 1HG LYS 68 -0.566 -8.421 11.237 499 1HD LYS 68 2HD LYS 68 1.786 -7.529 10.690 500 2HD LYS 68 1HD LYS 68 1.371 -6.147 11.703 501 1HE LYS 68 2HE LYS 68 1.645 -9.041 12.494 502 2HE LYS 68 1HE LYS 68 2.407 -7.624 13.215 503 1HZ LYS 68 1HZ LYS 68 0.252 -6.898 14.009 504 2HZ LYS 68 2HZ LYS 68 0.595 -8.461 14.582 505 3HZ LYS 68 3HZ LYS 68 -0.496 -8.245 13.297 506 H THR 69 H THR 69 -2.595 -7.811 7.705 507 HA THR 69 HA THR 69 -3.354 -10.613 8.437 508 HB THR 69 HB THR 69 -5.729 -9.590 8.716 509 HG1 THR 69 1HG THR 69 -4.061 -7.374 8.564 510 1HG2 THR 69 1HG2 THR 69 -5.149 -8.899 11.102 511 2HG2 THR 69 2HG2 THR 69 -3.462 -9.183 10.673 512 3HG2 THR 69 3HG2 THR 69 -4.619 -10.512 10.620 513 H CYS 70 H CYS 70 -2.440 -9.132 5.914 514 HA CYS 70 HA CYS 70 -3.066 -8.998 3.647 515 1HB CYS 70 2HB CYS 70 -4.201 -11.585 4.675 516 2HB CYS 70 1HB CYS 70 -4.538 -11.092 3.016 517 H THR 71 H THR 71 -4.407 -7.044 4.376 518 HA THR 71 HA THR 71 -7.184 -7.439 3.429 519 HB THR 71 HB THR 71 -7.738 -7.661 5.682 520 HG1 THR 71 1HG THR 71 -8.934 -5.957 5.778 521 1HG2 THR 71 1HG2 THR 71 -6.567 -6.356 7.480 522 2HG2 THR 71 2HG2 THR 71 -5.475 -5.727 6.244 523 3HG2 THR 71 3HG2 THR 71 -5.506 -7.455 6.598 524 H TYR 72 H TYR 72 -8.289 -5.161 3.408 525 HA TYR 72 HA TYR 72 -6.273 -3.204 2.373 526 1HB TYR 72 2HB TYR 72 -8.805 -4.184 1.351 527 2HB TYR 72 1HB TYR 72 -8.877 -2.436 1.558 528 HD1 TYR 72 1HD TYR 72 -6.938 -1.034 0.589 529 HD2 TYR 72 2HD TYR 72 -7.671 -5.126 -0.483 530 HE1 TYR 72 1HE TYR 72 -5.597 -0.733 -1.476 531 HE2 TYR 72 2HE TYR 72 -6.330 -4.828 -2.548 532 HH TYR 72 HH TYR 72 -4.243 -2.336 -3.038 533 H THR 73 H THR 73 -6.311 -1.094 3.169 534 HA THR 73 HA THR 73 -8.420 -0.414 5.169 535 HB THR 73 HB THR 73 -6.947 -0.091 6.884 536 HG1 THR 73 1HG THR 73 -5.723 1.537 6.400 537 1HG2 THR 73 1HG2 THR 73 -5.035 -1.628 5.109 538 2HG2 THR 73 2HG2 THR 73 -6.384 -2.368 5.972 539 3HG2 THR 73 3HG2 THR 73 -5.069 -1.611 6.872 540 H VAL 74 H VAL 74 -8.655 1.923 5.452 541 HA VAL 74 HA VAL 74 -7.552 3.479 3.136 542 HB VAL 74 HB VAL 74 -10.122 4.281 4.453 543 1HG1 VAL 74 1HG1 VAL 74 -10.612 5.161 2.300 544 2HG1 VAL 74 2HG1 VAL 74 -9.402 4.143 1.520 545 3HG1 VAL 74 3HG1 VAL 74 -8.898 5.491 2.538 546 1HG2 VAL 74 1HG2 VAL 74 -10.626 1.976 4.192 547 2HG2 VAL 74 2HG2 VAL 74 -9.727 1.866 2.679 548 3HG2 VAL 74 3HG2 VAL 74 -11.264 2.728 2.731 549 H VAL 75 H VAL 75 -6.200 5.061 3.799 550 HA VAL 75 HA VAL 75 -6.491 6.106 6.589 551 HB VAL 75 HB VAL 75 -4.092 6.840 6.262 552 1HG1 VAL 75 1HG1 VAL 75 -3.177 4.616 6.615 553 2HG1 VAL 75 2HG1 VAL 75 -4.582 3.875 5.849 554 3HG1 VAL 75 3HG1 VAL 75 -4.756 4.702 7.397 555 1HG2 VAL 75 1HG2 VAL 75 -4.117 6.888 3.797 556 2HG2 VAL 75 2HG2 VAL 75 -4.377 5.143 3.759 557 3HG2 VAL 75 3HG2 VAL 75 -2.861 5.796 4.384 558 H GLU 76 H GLU 76 -5.799 8.464 6.798 559 HA GLU 76 HA GLU 76 -6.916 10.018 4.497 560 1HB GLU 76 2HB GLU 76 -8.036 10.093 6.821 561 2HB GLU 76 1HB GLU 76 -6.630 11.029 7.326 562 1HG GLU 76 2HG GLU 76 -7.084 12.591 5.390 563 2HG GLU 76 1HG GLU 76 -8.600 11.728 5.135 564 H LYS 77 H LYS 77 -5.669 11.585 3.565 565 HA LYS 77 HA LYS 77 -2.838 11.585 4.002 566 1HB LYS 77 2HB LYS 77 -4.534 13.672 2.600 567 2HB LYS 77 1HB LYS 77 -2.793 13.458 2.417 568 1HG LYS 77 2HG LYS 77 -4.598 11.112 1.895 569 2HG LYS 77 1HG LYS 77 -4.465 12.373 0.670 570 1HD LYS 77 2HD LYS 77 -2.063 12.082 0.540 571 2HD LYS 77 1HD LYS 77 -2.082 10.960 1.899 572 1HE LYS 77 2HE LYS 77 -1.996 9.954 -0.486 573 2HE LYS 77 1HE LYS 77 -3.163 9.274 0.649 574 1HZ LYS 77 1HZ LYS 77 -3.910 9.958 -1.721 575 2HZ LYS 77 2HZ LYS 77 -3.953 11.525 -1.069 576 3HZ LYS 77 3HZ LYS 77 -4.913 10.295 -0.397 577 H LYS 78 H LYS 78 -5.329 13.044 5.769 578 HA LYS 78 HA LYS 78 -3.413 15.050 6.907 579 1HB LYS 78 2HB LYS 78 -5.582 15.850 5.705 580 2HB LYS 78 1HB LYS 78 -6.410 15.267 7.147 581 1HG LYS 78 2HG LYS 78 -5.989 17.458 7.785 582 2HG LYS 78 1HG LYS 78 -4.531 16.678 8.394 583 1HD LYS 78 2HD LYS 78 -3.495 17.216 6.096 584 2HD LYS 78 1HD LYS 78 -4.868 18.298 5.867 585 1HE LYS 78 2HE LYS 78 -4.280 19.482 7.956 586 2HE LYS 78 1HE LYS 78 -2.898 18.408 8.171 587 1HZ LYS 78 1HZ LYS 78 -3.164 19.823 5.623 588 2HZ LYS 78 2HZ LYS 78 -1.763 19.363 6.467 589 3HZ LYS 78 3HZ LYS 78 -2.659 20.714 6.975 590 H ASP 79 H ASP 79 -4.803 12.112 7.534 591 HA ASP 79 HA ASP 79 -4.286 12.397 10.412 592 1HB ASP 79 2HB ASP 79 -6.716 13.106 9.974 593 2HB ASP 79 1HB ASP 79 -7.014 11.415 9.567 594 HA PRO 80 HA PRO 80 -3.389 8.267 8.390 595 1HB PRO 80 2HB PRO 80 -0.835 8.347 9.721 596 2HB PRO 80 1HB PRO 80 -1.167 8.429 7.989 597 1HG PRO 80 2HG PRO 80 -0.235 10.534 9.664 598 2HG PRO 80 1HG PRO 80 -0.685 10.639 7.959 599 1HD PRO 80 2HD PRO 80 -2.129 11.649 10.282 600 2HD PRO 80 1HD PRO 80 -2.487 11.905 8.557 601 H GLY 81 H GLY 81 -4.067 9.443 11.389 602 1HA GLY 81 2HA GLY 81 -3.391 6.937 12.849 603 2HA GLY 81 1HA GLY 81 -3.915 8.446 13.596 604 H LYS 82 H LYS 82 -5.941 8.383 11.151 605 HA LYS 82 HA LYS 82 -7.894 6.513 12.440 606 1HB LYS 82 2HB LYS 82 -8.399 9.324 11.414 607 2HB LYS 82 1HB LYS 82 -9.660 8.205 11.934 608 1HG LYS 82 2HG LYS 82 -8.327 8.042 14.149 609 2HG LYS 82 1HG LYS 82 -7.501 9.500 13.596 610 1HD LYS 82 2HD LYS 82 -10.478 9.158 14.046 611 2HD LYS 82 1HD LYS 82 -9.377 10.175 14.974 612 1HE LYS 82 2HE LYS 82 -10.379 11.709 13.505 613 2HE LYS 82 1HE LYS 82 -8.870 11.313 12.683 614 1HZ LYS 82 1HZ LYS 82 -9.952 10.300 11.031 615 2HZ LYS 82 2HZ LYS 82 -11.329 11.123 11.591 616 3HZ LYS 82 3HZ LYS 82 -11.039 9.520 12.074 617 H THR 83 H THR 83 -9.587 5.768 10.939 618 HA THR 83 HA THR 83 -8.487 5.447 8.212 619 HB THR 83 HB THR 83 -10.142 3.683 7.961 620 HG1 THR 83 1HG THR 83 -11.757 3.422 9.391 621 1HG2 THR 83 1HG2 THR 83 -9.088 3.484 10.786 622 2HG2 THR 83 2HG2 THR 83 -8.039 3.336 9.376 623 3HG2 THR 83 3HG2 THR 83 -9.346 2.179 9.627 624 H CYS 84 H CYS 84 -9.966 5.705 6.336 625 HA CYS 84 HA CYS 84 -11.490 8.205 6.574 626 1HB CYS 84 2HB CYS 84 -9.953 7.421 4.604 627 2HB CYS 84 1HB CYS 84 -11.374 6.518 4.083 628 H ASP 85 H ASP 85 -13.508 7.757 4.669 629 HA ASP 85 HA ASP 85 -15.369 6.093 6.279 630 1HB ASP 85 2HB ASP 85 -15.993 8.441 5.669 631 2HB ASP 85 1HB ASP 85 -15.970 7.966 3.970 632 H VAL 86 H VAL 86 -14.821 3.985 5.573 633 HA VAL 86 HA VAL 86 -14.820 3.397 2.683 634 HB VAL 86 HB VAL 86 -13.210 2.144 3.861 635 1HG1 VAL 86 1HG1 VAL 86 -15.392 1.718 5.905 636 2HG1 VAL 86 2HG1 VAL 86 -13.848 2.538 6.126 637 3HG1 VAL 86 3HG1 VAL 86 -13.895 0.787 5.914 638 1HG2 VAL 86 1HG2 VAL 86 -15.557 0.237 3.821 639 2HG2 VAL 86 2HG2 VAL 86 -13.854 -0.142 3.574 640 3HG2 VAL 86 3HG2 VAL 86 -14.736 0.774 2.354 641 H THR 87 H THR 87 -16.205 1.471 1.982 642 HA THR 87 HA THR 87 -18.882 1.549 3.322 643 HB THR 87 HB THR 87 -18.435 1.385 0.333 644 HG1 THR 87 1HG THR 87 -18.590 3.500 0.263 645 1HG2 THR 87 1HG2 THR 87 -20.861 1.795 2.094 646 2HG2 THR 87 2HG2 THR 87 -20.546 0.443 1.007 647 3HG2 THR 87 3HG2 THR 87 -20.874 2.045 0.349 648 H GLY 88 H GLY 88 -16.702 -0.265 1.181 649 1HA GLY 88 2HA GLY 88 -17.089 -2.744 2.492 650 2HA GLY 88 1HA GLY 88 -18.234 -2.680 1.151 651 H TRP 89 H TRP 89 -16.674 -4.617 0.637 652 HA TRP 89 HA TRP 89 -14.641 -3.573 -1.278 653 1HB TRP 89 2HB TRP 89 -13.892 -6.110 0.039 654 2HB TRP 89 1HB TRP 89 -12.895 -4.708 -0.345 655 HD1 TRP 89 HD TRP 89 -13.000 -2.626 1.391 656 HE1 TRP 89 1HE TRP 89 -13.455 -2.598 3.929 657 HE3 TRP 89 3HE TRP 89 -15.152 -7.222 1.952 658 HZ2 TRP 89 2HZ TRP 89 -14.581 -4.303 5.932 659 HZ3 TRP 89 3HZ TRP 89 -15.905 -7.995 4.182 660 HH2 TRP 89 HH TRP 89 -15.623 -6.542 6.171 661 H VAL 90 H VAL 90 -14.000 -5.396 -2.843 662 HA VAL 90 HA VAL 90 -16.138 -7.438 -3.162 663 HB VAL 90 HB VAL 90 -15.345 -5.426 -5.283 664 1HG1 VAL 90 1HG1 VAL 90 -15.610 -7.537 -6.379 665 2HG1 VAL 90 2HG1 VAL 90 -17.132 -6.676 -6.607 666 3HG1 VAL 90 3HG1 VAL 90 -17.012 -7.948 -5.391 667 1HG2 VAL 90 1HG2 VAL 90 -16.976 -4.579 -3.648 668 2HG2 VAL 90 2HG2 VAL 90 -17.975 -6.012 -3.886 669 3HG2 VAL 90 3HG2 VAL 90 -17.762 -4.858 -5.202 670 H LEU 91 H LEU 91 -15.257 -9.359 -3.744 671 HA LEU 91 HA LEU 91 -12.403 -9.610 -4.127 672 1HB LEU 91 2HB LEU 91 -14.729 -11.526 -4.341 673 2HB LEU 91 1HB LEU 91 -13.086 -12.026 -4.748 674 HG LEU 91 HG LEU 91 -12.309 -11.409 -2.513 675 1HD1 LEU 91 1HD1 LEU 91 -14.177 -10.831 -0.818 676 2HD1 LEU 91 2HD1 LEU 91 -15.145 -10.412 -2.231 677 3HD1 LEU 91 3HD1 LEU 91 -13.641 -9.551 -1.905 678 1HD2 LEU 91 1HD2 LEU 91 -13.491 -13.119 -1.232 679 2HD2 LEU 91 2HD2 LEU 91 -13.305 -13.672 -2.897 680 3HD2 LEU 91 3HD2 LEU 91 -14.858 -13.046 -2.344 Start of MODEL 4 1 1H GLN 1 1HT GLN 1 -1.027 -5.350 -13.951 2 2H GLN 1 2HT GLN 1 -2.393 -6.121 -14.606 3 3H GLN 1 3HT GLN 1 -1.411 -6.934 -13.482 4 HA GLN 1 HA GLN 1 -3.309 -4.721 -13.024 5 1HB GLN 1 2HB GLN 1 -3.807 -6.325 -11.047 6 2HB GLN 1 1HB GLN 1 -4.309 -6.831 -12.661 7 1HG GLN 1 2HG GLN 1 -2.456 -8.308 -12.890 8 2HG GLN 1 1HG GLN 1 -1.626 -7.602 -11.503 9 1HE2 GLN 1 1HE2 GLN 1 -4.941 -7.823 -10.826 10 2HE2 GLN 1 2HE2 GLN 1 -4.922 -9.284 -9.963 11 H CYS 2 H CYS 2 -1.478 -3.206 -12.630 12 HA CYS 2 HA CYS 2 -0.669 -3.314 -9.800 13 1HB CYS 2 2HB CYS 2 1.116 -4.534 -11.157 14 2HB CYS 2 1HB CYS 2 1.460 -2.983 -11.926 15 H TYR 3 H TYR 3 0.660 -1.220 -9.321 16 HA TYR 3 HA TYR 3 -0.316 1.020 -11.051 17 1HB TYR 3 2HB TYR 3 -1.637 0.603 -8.852 18 2HB TYR 3 1HB TYR 3 -0.202 1.231 -8.042 19 HD1 TYR 3 1HD TYR 3 -2.438 2.064 -10.942 20 HD2 TYR 3 2HD TYR 3 -0.083 3.533 -7.663 21 HE1 TYR 3 1HE TYR 3 -3.171 4.377 -11.452 22 HE2 TYR 3 2HE TYR 3 -0.816 5.846 -8.175 23 HH TYR 3 HH TYR 3 -2.425 7.053 -9.313 24 H PHE 4 H PHE 4 1.170 2.675 -11.334 25 HA PHE 4 HA PHE 4 3.846 2.273 -10.053 26 1HB PHE 4 2HB PHE 4 2.983 2.868 -12.781 27 2HB PHE 4 1HB PHE 4 4.148 4.056 -12.199 28 HD1 PHE 4 1HD PHE 4 3.619 0.584 -13.197 29 HD2 PHE 4 2HD PHE 4 6.390 3.326 -11.395 30 HE1 PHE 4 1HE PHE 4 5.457 -1.045 -13.544 31 HE2 PHE 4 2HE PHE 4 8.229 1.699 -11.743 32 HZ PHE 4 HZ PHE 4 7.762 -0.487 -12.817 33 H ILE 5 H ILE 5 4.682 3.921 -8.834 34 HA ILE 5 HA ILE 5 3.262 6.551 -8.873 35 HB ILE 5 HB ILE 5 4.232 5.084 -6.410 36 1HG1 ILE 5 2HG1 ILE 5 1.392 5.682 -7.289 37 2HG1 ILE 5 1HG1 ILE 5 2.180 4.123 -7.531 38 1HG2 ILE 5 1HG2 ILE 5 2.774 7.711 -6.817 39 2HG2 ILE 5 2HG2 ILE 5 4.384 7.488 -6.133 40 3HG2 ILE 5 3HG2 ILE 5 2.965 6.923 -5.251 41 1HD1 ILE 5 1HD1 ILE 5 2.485 3.846 -5.135 42 2HD1 ILE 5 2HD1 ILE 5 0.787 4.209 -5.449 43 3HD1 ILE 5 3HD1 ILE 5 1.860 5.467 -4.833 44 HA PRO 6 HA PRO 6 7.635 7.587 -9.556 45 1HB PRO 6 2HB PRO 6 6.932 10.378 -9.465 46 2HB PRO 6 1HB PRO 6 7.344 9.401 -10.876 47 1HG PRO 6 2HG PRO 6 4.773 10.425 -10.146 48 2HG PRO 6 1HG PRO 6 5.185 9.423 -11.540 49 1HD PRO 6 2HD PRO 6 3.713 8.660 -9.173 50 2HD PRO 6 1HD PRO 6 4.102 7.657 -10.594 51 H ASN 7 H ASN 7 9.244 8.046 -8.063 52 HA ASN 7 HA ASN 7 8.610 8.343 -5.308 53 1HB ASN 7 2HB ASN 7 10.853 7.646 -6.651 54 2HB ASN 7 1HB ASN 7 11.274 9.307 -6.237 55 1HD2 ASN 7 1HD2 ASN 7 10.927 9.871 -3.812 56 2HD2 ASN 7 2HD2 ASN 7 11.275 8.654 -2.682 57 H GLN 8 H GLN 8 7.963 10.137 -4.224 58 HA GLN 8 HA GLN 8 8.330 12.789 -5.530 59 1HB GLN 8 2HB GLN 8 6.672 13.505 -3.710 60 2HB GLN 8 1HB GLN 8 6.048 12.415 -4.949 61 1HG GLN 8 2HG GLN 8 7.211 11.335 -2.384 62 2HG GLN 8 1HG GLN 8 5.529 11.856 -2.466 63 1HE2 GLN 8 1HE2 GLN 8 6.658 9.056 -2.188 64 2HE2 GLN 8 2HE2 GLN 8 5.990 8.185 -3.482 65 H SER 9 H SER 9 9.191 10.948 -2.669 66 HA SER 9 HA SER 9 10.479 13.338 -1.456 67 1HB SER 9 2HB SER 9 10.261 10.514 -0.374 68 2HB SER 9 1HB SER 9 10.780 11.943 0.517 69 HG SER 9 HG SER 9 8.235 11.170 -0.346 70 H LEU 10 H LEU 10 12.690 13.589 -1.443 71 HA LEU 10 HA LEU 10 14.272 11.649 -3.016 72 1HB LEU 10 2HB LEU 10 15.299 14.196 -1.759 73 2HB LEU 10 1HB LEU 10 15.922 13.345 -3.173 74 HG LEU 10 HG LEU 10 13.272 14.805 -2.973 75 1HD1 LEU 10 1HD1 LEU 10 15.712 15.324 -4.699 76 2HD1 LEU 10 2HD1 LEU 10 15.319 16.218 -3.231 77 3HD1 LEU 10 3HD1 LEU 10 14.249 16.305 -4.628 78 1HD2 LEU 10 1HD2 LEU 10 12.881 12.929 -4.385 79 2HD2 LEU 10 2HD2 LEU 10 14.484 13.042 -5.111 80 3HD2 LEU 10 3HD2 LEU 10 13.257 14.251 -5.490 81 H LYS 11 H LYS 11 15.164 13.487 -0.109 82 HA LYS 11 HA LYS 11 16.315 12.821 1.815 83 1HB LYS 11 2HB LYS 11 14.418 10.588 1.228 84 2HB LYS 11 1HB LYS 11 15.676 10.277 2.421 85 1HG LYS 11 2HG LYS 11 13.652 11.158 3.508 86 2HG LYS 11 1HG LYS 11 14.985 12.301 3.666 87 1HD LYS 11 2HD LYS 11 14.126 13.643 1.832 88 2HD LYS 11 1HD LYS 11 12.866 12.451 1.503 89 1HE LYS 11 2HE LYS 11 11.909 12.850 3.748 90 2HE LYS 11 1HE LYS 11 13.157 14.057 4.061 91 1HZ LYS 11 1HZ LYS 11 12.345 15.371 2.242 92 2HZ LYS 11 2HZ LYS 11 11.053 15.028 3.290 93 3HZ LYS 11 3HZ LYS 11 11.209 14.183 1.824 94 HA PRO 12 HA PRO 12 20.103 10.957 0.528 95 1HB PRO 12 2HB PRO 12 20.516 9.432 2.938 96 2HB PRO 12 1HB PRO 12 21.259 10.964 2.473 97 1HG PRO 12 2HG PRO 12 19.196 10.491 4.446 98 2HG PRO 12 1HG PRO 12 20.045 11.996 4.080 99 1HD PRO 12 2HD PRO 12 17.325 11.398 3.500 100 2HD PRO 12 1HD PRO 12 18.251 12.806 2.925 101 H ASN 13 H ASN 13 17.623 8.862 1.898 102 HA ASN 13 HA ASN 13 17.697 6.957 -0.175 103 1HB ASN 13 2HB ASN 13 18.770 5.067 1.332 104 2HB ASN 13 1HB ASN 13 19.805 6.117 0.366 105 1HD2 ASN 13 1HD2 ASN 13 18.173 6.414 3.583 106 2HD2 ASN 13 2HD2 ASN 13 19.557 6.972 4.392 107 H GLU 14 H GLU 14 15.456 7.632 0.594 108 HA GLU 14 HA GLU 14 14.499 5.680 2.648 109 1HB GLU 14 2HB GLU 14 13.881 8.624 2.407 110 2HB GLU 14 1HB GLU 14 12.763 7.518 3.207 111 1HG GLU 14 2HG GLU 14 14.428 6.877 4.820 112 2HG GLU 14 1HG GLU 14 15.692 7.734 3.936 113 H CYS 15 H CYS 15 11.989 5.546 2.462 114 HA CYS 15 HA CYS 15 11.127 5.776 -0.391 115 1HB CYS 15 2HB CYS 15 11.409 3.325 1.264 116 2HB CYS 15 1HB CYS 15 9.904 3.456 0.357 117 H GLN 16 H GLN 16 9.693 7.469 0.083 118 HA GLN 16 HA GLN 16 7.648 6.981 2.202 119 1HB GLN 16 2HB GLN 16 8.440 9.482 0.681 120 2HB GLN 16 1HB GLN 16 7.088 9.408 1.810 121 1HG GLN 16 2HG GLN 16 8.829 10.182 3.175 122 2HG GLN 16 1HG GLN 16 8.862 8.447 3.481 123 1HE2 GLN 16 1HE2 GLN 16 11.224 9.845 3.934 124 2HE2 GLN 16 2HE2 GLN 16 12.357 9.494 2.721 125 H ASP 17 H ASP 17 5.435 6.979 1.683 126 HA ASP 17 HA ASP 17 4.631 7.396 -1.128 127 1HB ASP 17 2HB ASP 17 5.341 4.867 -0.499 128 2HB ASP 17 1HB ASP 17 3.671 4.831 0.066 129 H LEU 18 H LEU 18 2.361 7.806 -1.300 130 HA LEU 18 HA LEU 18 0.386 8.775 -0.462 131 1HB LEU 18 2HB LEU 18 0.493 6.685 1.708 132 2HB LEU 18 1HB LEU 18 -0.910 7.300 0.833 133 HG LEU 18 HG LEU 18 1.288 5.547 -0.306 134 1HD1 LEU 18 1HD1 LEU 18 -1.640 5.074 0.319 135 2HD1 LEU 18 2HD1 LEU 18 -0.254 4.278 1.063 136 3HD1 LEU 18 3HD1 LEU 18 -0.645 3.967 -0.628 137 1HD2 LEU 18 1HD2 LEU 18 -1.111 6.900 -1.569 138 2HD2 LEU 18 2HD2 LEU 18 -0.282 5.536 -2.318 139 3HD2 LEU 18 3HD2 LEU 18 0.581 7.048 -2.042 140 H LYS 19 H LYS 19 -0.361 8.555 2.452 141 HA LYS 19 HA LYS 19 1.567 10.607 3.479 142 1HB LYS 19 2HB LYS 19 -0.954 11.184 2.957 143 2HB LYS 19 1HB LYS 19 -1.252 10.378 4.496 144 1HG LYS 19 2HG LYS 19 -0.914 12.569 5.211 145 2HG LYS 19 1HG LYS 19 0.720 11.921 5.344 146 1HD LYS 19 2HD LYS 19 0.901 12.732 2.823 147 2HD LYS 19 1HD LYS 19 -0.412 13.806 3.303 148 1HE LYS 19 2HE LYS 19 0.971 14.600 5.213 149 2HE LYS 19 1HE LYS 19 2.296 13.582 4.648 150 1HZ LYS 19 1HZ LYS 19 1.087 15.386 2.703 151 2HZ LYS 19 2HZ LYS 19 2.711 14.923 2.895 152 3HZ LYS 19 3HZ LYS 19 2.032 16.098 3.918 153 H GLY 20 H GLY 20 0.961 7.442 3.848 154 1HA GLY 20 2HA GLY 20 1.556 7.558 6.778 155 2HA GLY 20 1HA GLY 20 0.359 6.424 6.158 156 H VAL 21 H VAL 21 3.010 6.912 4.034 157 HA VAL 21 HA VAL 21 4.209 4.332 4.987 158 HB VAL 21 HB VAL 21 4.375 5.416 2.174 159 1HG1 VAL 21 1HG1 VAL 21 5.024 3.171 1.618 160 2HG1 VAL 21 2HG1 VAL 21 4.583 2.584 3.222 161 3HG1 VAL 21 3HG1 VAL 21 5.982 3.640 3.023 162 1HG2 VAL 21 1HG2 VAL 21 2.269 3.679 3.478 163 2HG2 VAL 21 2HG2 VAL 21 2.558 3.651 1.738 164 3HG2 VAL 21 3HG2 VAL 21 2.031 5.140 2.521 165 H SER 22 H SER 22 6.392 4.318 5.406 166 HA SER 22 HA SER 22 8.260 6.179 4.255 167 1HB SER 22 2HB SER 22 8.545 7.774 5.913 168 2HB SER 22 1HB SER 22 6.812 7.497 6.058 169 HG SER 22 HG SER 22 7.995 5.650 7.500 170 H HIS 23 H HIS 23 9.836 4.640 4.067 171 HA HIS 23 HA HIS 23 10.928 3.499 6.566 172 1HB HIS 23 2HB HIS 23 9.462 1.966 4.518 173 2HB HIS 23 1HB HIS 23 11.046 1.294 4.901 174 HD1 HIS 23 1HD HIS 23 8.821 3.088 7.385 175 HD2 HIS 23 2HD HIS 23 10.178 -0.772 6.589 176 HE1 HIS 23 1HE HIS 23 8.106 1.657 9.350 177 HA PRO 24 HA PRO 24 14.782 4.362 4.569 178 1HB PRO 24 2HB PRO 24 16.041 1.890 5.339 179 2HB PRO 24 1HB PRO 24 16.216 3.482 6.081 180 1HG PRO 24 2HG PRO 24 14.796 1.186 7.095 181 2HG PRO 24 1HG PRO 24 15.052 2.750 7.875 182 1HD PRO 24 2HD PRO 24 12.596 1.731 6.819 183 2HD PRO 24 1HD PRO 24 12.897 3.361 7.469 184 H LEU 25 H LEU 25 15.730 3.963 2.548 185 HA LEU 25 HA LEU 25 14.446 2.199 0.722 186 1HB LEU 25 2HB LEU 25 16.633 4.103 0.672 187 2HB LEU 25 1HB LEU 25 17.076 2.665 -0.243 188 HG LEU 25 HG LEU 25 14.402 4.022 -0.636 189 1HD1 LEU 25 1HD1 LEU 25 17.083 4.668 -1.872 190 2HD1 LEU 25 2HD1 LEU 25 15.930 5.775 -1.128 191 3HD1 LEU 25 3HD1 LEU 25 15.564 5.040 -2.689 192 1HD2 LEU 25 1HD2 LEU 25 16.139 2.169 -2.300 193 2HD2 LEU 25 2HD2 LEU 25 14.655 2.920 -2.884 194 3HD2 LEU 25 3HD2 LEU 25 14.595 1.773 -1.546 195 H ASN 26 H ASN 26 15.760 0.423 -0.495 196 HA ASN 26 HA ASN 26 17.913 -0.960 0.668 197 1HB ASN 26 2HB ASN 26 16.359 -2.902 1.638 198 2HB ASN 26 1HB ASN 26 16.854 -1.543 2.644 199 1HD2 ASN 26 1HD2 ASN 26 14.551 -0.938 0.066 200 2HD2 ASN 26 2HD2 ASN 26 13.192 -0.753 1.066 201 H SER 27 H SER 27 14.717 -2.291 -0.252 202 HA SER 27 HA SER 27 15.574 -2.879 -2.965 203 1HB SER 27 2HB SER 27 15.318 -5.220 -1.063 204 2HB SER 27 1HB SER 27 15.701 -5.295 -2.780 205 HG SER 27 HG SER 27 17.240 -4.095 -0.714 206 H VAL 28 H VAL 28 13.920 -5.245 -3.176 207 HA VAL 28 HA VAL 28 11.234 -3.960 -2.868 208 HB VAL 28 HB VAL 28 11.562 -4.346 -5.155 209 1HG1 VAL 28 1HG1 VAL 28 12.860 -6.950 -4.324 210 2HG1 VAL 28 2HG1 VAL 28 13.640 -5.559 -5.078 211 3HG1 VAL 28 3HG1 VAL 28 12.498 -6.538 -6.000 212 1HG2 VAL 28 1HG2 VAL 28 10.010 -6.060 -5.767 213 2HG2 VAL 28 2HG2 VAL 28 9.474 -5.454 -4.203 214 3HG2 VAL 28 3HG2 VAL 28 10.347 -6.984 -4.303 215 H TRP 29 H TRP 29 9.438 -5.560 -2.515 216 HA TRP 29 HA TRP 29 10.221 -8.074 -1.174 217 1HB TRP 29 2HB TRP 29 8.723 -7.410 0.811 218 2HB TRP 29 1HB TRP 29 10.318 -6.663 0.735 219 HD1 TRP 29 HD TRP 29 6.615 -5.900 0.212 220 HE1 TRP 29 1HE TRP 29 6.292 -3.342 0.177 221 HE3 TRP 29 3HE TRP 29 11.494 -4.392 0.251 222 HZ2 TRP 29 2HZ TRP 29 7.890 -0.971 0.166 223 HZ3 TRP 29 3HZ TRP 29 12.064 -1.981 0.229 224 HH2 TRP 29 HH TRP 29 10.271 -0.270 0.185 225 H LYS 30 H LYS 30 8.704 -9.625 -1.545 226 HA LYS 30 HA LYS 30 6.025 -8.743 -2.566 227 1HB LYS 30 2HB LYS 30 7.380 -9.696 -4.376 228 2HB LYS 30 1HB LYS 30 7.696 -11.134 -3.406 229 1HG LYS 30 2HG LYS 30 5.340 -11.727 -3.419 230 2HG LYS 30 1HG LYS 30 4.927 -10.218 -4.237 231 1HD LYS 30 2HD LYS 30 6.162 -10.889 -6.217 232 2HD LYS 30 1HD LYS 30 6.767 -12.330 -5.399 233 1HE LYS 30 2HE LYS 30 4.290 -12.970 -5.077 234 2HE LYS 30 1HE LYS 30 3.941 -11.728 -6.280 235 1HZ LYS 30 1HZ LYS 30 5.968 -13.106 -7.410 236 2HZ LYS 30 2HZ LYS 30 4.321 -13.344 -7.748 237 3HZ LYS 30 3HZ LYS 30 5.110 -14.336 -6.618 238 H THR 31 H THR 31 4.410 -9.389 -1.234 239 HA THR 31 HA THR 31 4.908 -11.260 0.937 240 HB THR 31 HB THR 31 2.716 -10.744 1.664 241 HG1 THR 31 1HG THR 31 1.684 -11.264 -0.304 242 1HG2 THR 31 1HG2 THR 31 3.413 -8.291 0.048 243 2HG2 THR 31 2HG2 THR 31 4.357 -8.780 1.456 244 3HG2 THR 31 3HG2 THR 31 2.651 -8.371 1.637 245 H LYS 32 H LYS 32 2.624 -12.810 1.069 246 HA LYS 32 HA LYS 32 3.205 -14.824 -0.986 247 1HB LYS 32 2HB LYS 32 2.685 -15.254 1.519 248 2HB LYS 32 1HB LYS 32 0.998 -15.005 1.067 249 1HG LYS 32 2HG LYS 32 1.460 -16.734 -0.811 250 2HG LYS 32 1HG LYS 32 2.897 -17.149 0.122 251 1HD LYS 32 2HD LYS 32 1.452 -17.544 2.114 252 2HD LYS 32 1HD LYS 32 0.034 -17.221 1.116 253 1HE LYS 32 2HE LYS 32 0.982 -19.068 -0.448 254 2HE LYS 32 1HE LYS 32 1.972 -19.523 0.940 255 1HZ LYS 32 1HZ LYS 32 -0.936 -19.145 1.233 256 2HZ LYS 32 2HZ LYS 32 0.124 -20.062 2.191 257 3HZ LYS 32 3HZ LYS 32 -0.318 -20.610 0.645 258 H ASP 33 H ASP 33 2.402 -13.268 -2.721 259 HA ASP 33 HA ASP 33 0.764 -12.685 -4.294 260 1HB ASP 33 2HB ASP 33 0.418 -15.228 -4.066 261 2HB ASP 33 1HB ASP 33 -0.958 -14.828 -3.039 262 H CYS 34 H CYS 34 0.521 -12.036 -1.139 263 HA CYS 34 HA CYS 34 -2.295 -11.150 -1.097 264 1HB CYS 34 2HB CYS 34 -0.036 -11.090 0.904 265 2HB CYS 34 1HB CYS 34 -1.529 -10.194 1.182 266 H GLU 35 H GLU 35 0.946 -9.777 -1.374 267 HA GLU 35 HA GLU 35 -0.173 -7.341 -2.548 268 1HB GLU 35 2HB GLU 35 -0.419 -6.684 -0.254 269 2HB GLU 35 1HB GLU 35 1.173 -7.313 0.165 270 1HG GLU 35 2HG GLU 35 2.286 -5.583 -1.044 271 2HG GLU 35 1HG GLU 35 0.796 -5.092 -1.852 272 H GLU 36 H GLU 36 1.643 -5.854 -3.233 273 HA GLU 36 HA GLU 36 4.331 -7.077 -3.306 274 1HB GLU 36 2HB GLU 36 3.151 -8.044 -5.271 275 2HB GLU 36 1HB GLU 36 2.804 -6.411 -5.844 276 1HG GLU 36 2HG GLU 36 5.126 -5.929 -6.164 277 2HG GLU 36 1HG GLU 36 5.615 -7.381 -5.289 278 H CYS 37 H CYS 37 5.835 -5.452 -3.163 279 HA CYS 37 HA CYS 37 5.185 -2.776 -4.234 280 1HB CYS 37 2HB CYS 37 5.372 -3.463 -1.347 281 2HB CYS 37 1HB CYS 37 6.169 -1.973 -1.854 282 H THR 38 H THR 38 6.964 -1.859 -5.117 283 HA THR 38 HA THR 38 9.646 -2.931 -4.323 284 HB THR 38 HB THR 38 10.307 -3.045 -6.566 285 HG1 THR 38 1HG THR 38 9.724 -1.562 -7.911 286 1HG2 THR 38 1HG2 THR 38 8.229 -4.536 -5.879 287 2HG2 THR 38 2HG2 THR 38 8.804 -4.518 -7.546 288 3HG2 THR 38 3HG2 THR 38 7.403 -3.551 -7.086 289 H CYS 39 H CYS 39 11.340 -1.384 -4.295 290 HA CYS 39 HA CYS 39 10.409 1.462 -4.343 291 1HB CYS 39 2HB CYS 39 12.217 -0.081 -2.577 292 2HB CYS 39 1HB CYS 39 12.820 1.511 -3.034 293 H GLY 40 H GLY 40 10.798 1.819 -6.575 294 1HA GLY 40 2HA GLY 40 13.342 1.123 -7.801 295 2HA GLY 40 1HA GLY 40 12.092 2.139 -8.522 296 H GLN 41 H GLN 41 15.191 2.318 -7.772 297 HA GLN 41 HA GLN 41 15.588 4.514 -6.061 298 1HB GLN 41 2HB GLN 41 17.087 3.805 -8.602 299 2HB GLN 41 1HB GLN 41 17.667 4.925 -7.368 300 1HG GLN 41 2HG GLN 41 17.919 3.222 -5.761 301 2HG GLN 41 1HG GLN 41 16.859 2.116 -6.633 302 1HE2 GLN 41 1HE2 GLN 41 17.911 0.573 -7.893 303 2HE2 GLN 41 2HE2 GLN 41 19.515 0.691 -8.437 304 H ASP 42 H ASP 42 13.767 4.456 -8.873 305 HA ASP 42 HA ASP 42 13.970 7.434 -9.132 306 1HB ASP 42 2HB ASP 42 14.952 6.079 -11.077 307 2HB ASP 42 1HB ASP 42 13.297 5.575 -11.419 308 H ALA 43 H ALA 43 11.984 4.630 -8.763 309 HA ALA 43 HA ALA 43 9.636 6.335 -8.355 310 1HB ALA 43 1HB ALA 43 9.584 4.213 -10.523 311 2HB ALA 43 2HB ALA 43 9.614 5.952 -10.818 312 3HB ALA 43 3HB ALA 43 8.226 5.218 -10.013 313 H ILE 44 H ILE 44 7.724 4.923 -7.681 314 HA ILE 44 HA ILE 44 8.679 2.412 -6.352 315 HB ILE 44 HB ILE 44 6.642 4.349 -5.220 316 1HG1 ILE 44 2HG1 ILE 44 9.596 4.037 -4.586 317 2HG1 ILE 44 1HG1 ILE 44 8.833 5.449 -5.318 318 1HG2 ILE 44 1HG2 ILE 44 8.219 2.134 -3.885 319 2HG2 ILE 44 2HG2 ILE 44 6.593 1.914 -4.531 320 3HG2 ILE 44 3HG2 ILE 44 6.870 3.044 -3.206 321 1HD1 ILE 44 1HD1 ILE 44 9.068 5.956 -2.991 322 2HD1 ILE 44 2HD1 ILE 44 8.436 4.380 -2.516 323 3HD1 ILE 44 3HD1 ILE 44 7.364 5.578 -3.240 324 H SER 45 H SER 45 7.560 0.704 -7.154 325 HA SER 45 HA SER 45 4.820 1.196 -8.254 326 1HB SER 45 2HB SER 45 6.090 0.304 -10.012 327 2HB SER 45 1HB SER 45 7.006 -0.753 -8.941 328 HG SER 45 HG SER 45 4.419 -1.033 -9.985 329 H CYS 46 H CYS 46 3.115 -0.114 -7.561 330 HA CYS 46 HA CYS 46 3.694 -2.278 -5.618 331 1HB CYS 46 2HB CYS 46 2.207 0.268 -4.997 332 2HB CYS 46 1HB CYS 46 1.813 -1.227 -4.144 333 H CYS 47 H CYS 47 2.330 -3.955 -5.929 334 HA CYS 47 HA CYS 47 -0.154 -3.457 -7.533 335 1HB CYS 47 2HB CYS 47 1.103 -6.172 -7.422 336 2HB CYS 47 1HB CYS 47 0.224 -5.395 -8.740 337 H ASN 48 H ASN 48 -2.058 -4.444 -6.803 338 HA ASN 48 HA ASN 48 -1.884 -5.760 -4.113 339 1HB ASN 48 2HB ASN 48 -4.284 -4.871 -3.880 340 2HB ASN 48 1HB ASN 48 -2.990 -3.673 -3.805 341 1HD2 ASN 48 1HD2 ASN 48 -3.965 -1.858 -4.789 342 2HD2 ASN 48 2HD2 ASN 48 -4.632 -1.872 -6.350 343 H THR 49 H THR 49 -3.498 -7.436 -3.717 344 HA THR 49 HA THR 49 -4.768 -8.552 -6.183 345 HB THR 49 HB THR 49 -4.097 -10.846 -5.284 346 HG1 THR 49 1HG THR 49 -3.490 -9.931 -3.205 347 1HG2 THR 49 1HG2 THR 49 -1.847 -10.711 -6.272 348 2HG2 THR 49 2HG2 THR 49 -1.891 -8.952 -6.143 349 3HG2 THR 49 3HG2 THR 49 -3.005 -9.786 -7.229 350 H ALA 50 H ALA 50 -4.737 -8.209 -2.685 351 HA ALA 50 HA ALA 50 -6.935 -9.915 -2.066 352 1HB ALA 50 1HB ALA 50 -7.196 -8.460 -0.046 353 2HB ALA 50 2HB ALA 50 -6.016 -7.348 -0.739 354 3HB ALA 50 3HB ALA 50 -5.533 -8.987 -0.303 355 H ALA 51 H ALA 51 -9.129 -9.018 -1.314 356 HA ALA 51 HA ALA 51 -10.610 -7.984 -3.437 357 1HB ALA 51 1HB ALA 51 -11.599 -8.944 -1.363 358 2HB ALA 51 2HB ALA 51 -12.336 -7.402 -1.798 359 3HB ALA 51 3HB ALA 51 -11.150 -7.477 -0.494 360 H ILE 52 H ILE 52 -11.779 -5.756 -3.378 361 HA ILE 52 HA ILE 52 -9.814 -3.626 -2.654 362 HB ILE 52 HB ILE 52 -11.532 -3.736 -5.147 363 1HG1 ILE 52 2HG1 ILE 52 -9.008 -3.663 -6.072 364 2HG1 ILE 52 1HG1 ILE 52 -8.694 -4.480 -4.543 365 1HG2 ILE 52 1HG2 ILE 52 -10.469 -1.685 -5.788 366 2HG2 ILE 52 2HG2 ILE 52 -9.337 -1.776 -4.440 367 3HG2 ILE 52 3HG2 ILE 52 -11.043 -1.448 -4.139 368 1HD1 ILE 52 1HD1 ILE 52 -9.150 -6.064 -6.419 369 2HD1 ILE 52 2HD1 ILE 52 -10.764 -5.373 -6.569 370 3HD1 ILE 52 3HD1 ILE 52 -10.304 -6.224 -5.098 371 HA PRO 53 HA PRO 53 -13.355 -2.062 -0.388 372 1HB PRO 53 2HB PRO 53 -12.364 0.636 -0.554 373 2HB PRO 53 1HB PRO 53 -12.314 -0.466 0.823 374 1HG PRO 53 2HG PRO 53 -10.136 0.363 -0.865 375 2HG PRO 53 1HG PRO 53 -10.083 -0.697 0.547 376 1HD PRO 53 2HD PRO 53 -9.743 -1.442 -2.199 377 2HD PRO 53 1HD PRO 53 -9.802 -2.520 -0.782 378 H THR 54 H THR 54 -15.294 -1.810 -1.420 379 HA THR 54 HA THR 54 -15.422 0.007 -3.795 380 HB THR 54 HB THR 54 -17.273 -1.294 -4.575 381 HG1 THR 54 1HG THR 54 -17.513 -3.187 -2.756 382 1HG2 THR 54 1HG2 THR 54 -15.421 -3.337 -3.342 383 2HG2 THR 54 2HG2 THR 54 -14.932 -2.316 -4.695 384 3HG2 THR 54 3HG2 THR 54 -16.281 -3.437 -4.879 385 H GLY 55 H GLY 55 -18.079 0.567 -3.911 386 1HA GLY 55 2HA GLY 55 -19.598 2.140 -3.043 387 2HA GLY 55 1HA GLY 55 -19.502 1.162 -1.579 388 H TYR 56 H TYR 56 -16.473 2.364 -2.489 389 HA TYR 56 HA TYR 56 -16.503 4.241 -0.213 390 1HB TYR 56 2HB TYR 56 -14.490 3.120 -0.132 391 2HB TYR 56 1HB TYR 56 -14.428 2.893 -1.879 392 HD1 TYR 56 1HD TYR 56 -12.864 4.139 -3.077 393 HD2 TYR 56 2HD TYR 56 -14.382 5.691 0.630 394 HE1 TYR 56 1HE TYR 56 -11.358 6.096 -3.280 395 HE2 TYR 56 2HE TYR 56 -12.873 7.649 0.426 396 HH TYR 56 HH TYR 56 -10.400 7.813 -2.041 397 H ASP 57 H ASP 57 -17.284 6.247 -0.651 398 HA ASP 57 HA ASP 57 -16.212 7.675 -3.034 399 1HB ASP 57 2HB ASP 57 -19.130 7.827 -2.243 400 2HB ASP 57 1HB ASP 57 -18.370 8.469 -3.700 401 H THR 58 H THR 58 -15.142 9.364 -2.115 402 HA THR 58 HA THR 58 -16.601 11.035 -0.138 403 HB THR 58 HB THR 58 -14.724 11.097 1.393 404 HG1 THR 58 1HG THR 58 -13.503 9.753 -0.715 405 1HG2 THR 58 1HG2 THR 58 -16.391 9.190 1.509 406 2HG2 THR 58 2HG2 THR 58 -14.831 8.864 2.265 407 3HG2 THR 58 3HG2 THR 58 -15.196 8.197 0.674 408 H ASN 59 H ASN 59 -13.165 11.336 -0.642 409 HA ASN 59 HA ASN 59 -13.592 13.466 -2.681 410 1HB ASN 59 2HB ASN 59 -12.943 13.898 0.111 411 2HB ASN 59 1HB ASN 59 -11.614 14.455 -0.903 412 1HD2 ASN 59 1HD2 ASN 59 -15.212 14.512 -1.290 413 2HD2 ASN 59 2HD2 ASN 59 -15.289 16.170 -1.646 414 H LYS 60 H LYS 60 -10.859 12.301 -0.672 415 HA LYS 60 HA LYS 60 -9.504 11.430 -3.189 416 1HB LYS 60 2HB LYS 60 -8.354 13.158 -0.982 417 2HB LYS 60 1HB LYS 60 -7.366 12.352 -2.200 418 1HG LYS 60 2HG LYS 60 -8.340 13.603 -3.974 419 2HG LYS 60 1HG LYS 60 -9.661 14.167 -2.951 420 1HD LYS 60 2HD LYS 60 -8.197 15.578 -1.682 421 2HD LYS 60 1HD LYS 60 -6.763 14.846 -2.404 422 1HE LYS 60 2HE LYS 60 -8.854 16.356 -3.993 423 2HE LYS 60 1HE LYS 60 -7.373 17.092 -3.379 424 1HZ LYS 60 1HZ LYS 60 -7.575 15.911 -5.763 425 2HZ LYS 60 2HZ LYS 60 -7.017 14.608 -4.826 426 3HZ LYS 60 3HZ LYS 60 -6.121 16.050 -4.900 427 H CYS 61 H CYS 61 -8.266 11.572 0.121 428 HA CYS 61 HA CYS 61 -7.418 9.850 1.478 429 1HB CYS 61 2HB CYS 61 -9.888 8.523 0.328 430 2HB CYS 61 1HB CYS 61 -8.928 7.842 1.641 431 H GLN 62 H GLN 62 -6.726 7.422 1.381 432 HA GLN 62 HA GLN 62 -5.917 6.671 -1.396 433 1HB GLN 62 2HB GLN 62 -4.130 6.956 1.030 434 2HB GLN 62 1HB GLN 62 -3.664 6.022 -0.390 435 1HG GLN 62 2HG GLN 62 -3.347 7.887 -1.686 436 2HG GLN 62 1HG GLN 62 -4.688 8.757 -0.945 437 1HE2 GLN 62 1HE2 GLN 62 -3.900 8.660 1.791 438 2HE2 GLN 62 2HE2 GLN 62 -2.462 9.545 1.975 439 H LYS 63 H LYS 63 -4.907 4.354 -1.283 440 HA LYS 63 HA LYS 63 -6.486 2.722 0.675 441 1HB LYS 63 2HB LYS 63 -5.763 1.650 -2.032 442 2HB LYS 63 1HB LYS 63 -7.137 1.248 -1.001 443 1HG LYS 63 2HG LYS 63 -7.967 3.629 -1.413 444 2HG LYS 63 1HG LYS 63 -6.743 3.730 -2.680 445 1HD LYS 63 2HD LYS 63 -7.760 1.536 -3.584 446 2HD LYS 63 1HD LYS 63 -9.129 1.887 -2.529 447 1HE LYS 63 2HE LYS 63 -8.141 3.426 -4.916 448 2HE LYS 63 1HE LYS 63 -9.783 2.915 -4.526 449 1HZ LYS 63 1HZ LYS 63 -9.464 4.467 -2.503 450 2HZ LYS 63 2HZ LYS 63 -9.831 5.141 -4.018 451 3HZ LYS 63 3HZ LYS 63 -8.234 5.166 -3.439 452 H ILE 64 H ILE 64 -5.105 1.715 2.038 453 HA ILE 64 HA ILE 64 -2.422 0.885 0.994 454 HB ILE 64 HB ILE 64 -3.384 1.781 3.703 455 1HG1 ILE 64 2HG1 ILE 64 -0.808 2.339 2.210 456 2HG1 ILE 64 1HG1 ILE 64 -2.269 3.301 1.989 457 1HG2 ILE 64 1HG2 ILE 64 -2.337 -0.251 4.332 458 2HG2 ILE 64 2HG2 ILE 64 -1.068 0.961 4.508 459 3HG2 ILE 64 3HG2 ILE 64 -1.093 -0.091 3.092 460 1HD1 ILE 64 1HD1 ILE 64 -0.522 4.111 3.736 461 2HD1 ILE 64 2HD1 ILE 64 -1.154 2.812 4.747 462 3HD1 ILE 64 3HD1 ILE 64 -2.223 4.104 4.202 463 H LEU 65 H LEU 65 -1.860 -1.270 1.148 464 HA LEU 65 HA LEU 65 -4.003 -3.125 2.075 465 1HB LEU 65 2HB LEU 65 -2.993 -3.194 -0.307 466 2HB LEU 65 1HB LEU 65 -1.568 -3.885 0.460 467 HG LEU 65 HG LEU 65 -4.353 -5.014 0.836 468 1HD1 LEU 65 1HD1 LEU 65 -3.441 -6.815 -0.768 469 2HD1 LEU 65 2HD1 LEU 65 -2.240 -5.611 -1.237 470 3HD1 LEU 65 3HD1 LEU 65 -3.956 -5.287 -1.482 471 1HD2 LEU 65 1HD2 LEU 65 -1.555 -5.840 1.585 472 2HD2 LEU 65 2HD2 LEU 65 -2.776 -7.080 1.301 473 3HD2 LEU 65 3HD2 LEU 65 -3.024 -5.873 2.560 474 H ASN 66 H ASN 66 -3.692 -3.985 4.064 475 HA ASN 66 HA ASN 66 -1.044 -3.915 5.325 476 1HB ASN 66 2HB ASN 66 -3.484 -3.646 6.382 477 2HB ASN 66 1HB ASN 66 -3.345 -5.396 6.546 478 1HD2 ASN 66 1HD2 ASN 66 -0.754 -5.855 7.261 479 2HD2 ASN 66 2HD2 ASN 66 -0.337 -5.008 8.673 480 H LYS 67 H LYS 67 0.405 -5.560 5.175 481 HA LYS 67 HA LYS 67 -0.401 -8.074 3.884 482 1HB LYS 67 2HB LYS 67 2.007 -8.603 3.956 483 2HB LYS 67 1HB LYS 67 1.731 -7.000 3.277 484 1HG LYS 67 2HG LYS 67 3.297 -6.327 4.795 485 2HG LYS 67 1HG LYS 67 1.959 -6.394 5.939 486 1HD LYS 67 2HD LYS 67 3.530 -7.711 7.038 487 2HD LYS 67 1HD LYS 67 2.657 -8.944 6.132 488 1HE LYS 67 2HE LYS 67 5.370 -7.765 5.594 489 2HE LYS 67 1HE LYS 67 4.881 -9.459 5.621 490 1HZ LYS 67 1HZ LYS 67 5.275 -8.249 3.374 491 2HZ LYS 67 2HZ LYS 67 3.703 -7.657 3.623 492 3HZ LYS 67 3HZ LYS 67 3.980 -9.331 3.536 493 H LYS 68 H LYS 68 -0.540 -6.987 7.015 494 HA LYS 68 HA LYS 68 0.573 -9.111 8.533 495 1HB LYS 68 2HB LYS 68 -1.645 -7.135 8.993 496 2HB LYS 68 1HB LYS 68 -1.422 -8.454 10.142 497 1HG LYS 68 2HG LYS 68 0.972 -6.846 9.306 498 2HG LYS 68 1HG LYS 68 -0.146 -6.158 10.482 499 1HD LYS 68 2HD LYS 68 0.195 -7.955 12.012 500 2HD LYS 68 1HD LYS 68 1.003 -8.939 10.792 501 1HE LYS 68 2HE LYS 68 2.814 -7.196 10.686 502 2HE LYS 68 1HE LYS 68 2.043 -6.386 12.051 503 1HZ LYS 68 1HZ LYS 68 3.216 -9.107 11.985 504 2HZ LYS 68 2HZ LYS 68 2.229 -8.556 13.254 505 3HZ LYS 68 3HZ LYS 68 3.710 -7.788 12.929 506 H THR 69 H THR 69 -2.780 -8.680 7.375 507 HA THR 69 HA THR 69 -3.056 -11.662 7.386 508 HB THR 69 HB THR 69 -5.501 -11.212 8.004 509 HG1 THR 69 1HG THR 69 -4.423 -8.777 8.951 510 1HG2 THR 69 1HG2 THR 69 -4.892 -10.842 10.451 511 2HG2 THR 69 2HG2 THR 69 -3.223 -10.657 9.913 512 3HG2 THR 69 3HG2 THR 69 -4.070 -12.182 9.654 513 H CYS 70 H CYS 70 -2.420 -9.733 5.222 514 HA CYS 70 HA CYS 70 -3.135 -9.211 3.042 515 1HB CYS 70 2HB CYS 70 -4.822 -11.708 3.368 516 2HB CYS 70 1HB CYS 70 -4.189 -11.033 1.867 517 H THR 71 H THR 71 -4.346 -7.346 4.003 518 HA THR 71 HA THR 71 -7.249 -7.621 3.408 519 HB THR 71 HB THR 71 -7.974 -6.832 5.470 520 HG1 THR 71 1HG THR 71 -6.936 -5.016 5.846 521 1HG2 THR 71 1HG2 THR 71 -6.774 -9.030 5.723 522 2HG2 THR 71 2HG2 THR 71 -6.840 -8.077 7.206 523 3HG2 THR 71 3HG2 THR 71 -5.354 -8.131 6.259 524 H TYR 72 H TYR 72 -8.262 -5.337 3.361 525 HA TYR 72 HA TYR 72 -6.288 -3.471 2.103 526 1HB TYR 72 2HB TYR 72 -8.887 -4.428 1.290 527 2HB TYR 72 1HB TYR 72 -8.946 -2.678 1.484 528 HD1 TYR 72 1HD TYR 72 -7.583 -1.204 0.101 529 HD2 TYR 72 2HD TYR 72 -7.380 -5.472 -0.340 530 HE1 TYR 72 1HE TYR 72 -6.385 -0.924 -2.052 531 HE2 TYR 72 2HE TYR 72 -6.182 -5.192 -2.493 532 HH TYR 72 HH TYR 72 -4.916 -2.161 -3.510 533 H THR 73 H THR 73 -6.322 -1.282 2.705 534 HA THR 73 HA THR 73 -8.126 -0.522 4.957 535 HB THR 73 HB THR 73 -6.329 0.339 6.259 536 HG1 THR 73 1HG THR 73 -4.198 0.363 5.394 537 1HG2 THR 73 1HG2 THR 73 -6.566 -2.187 6.175 538 2HG2 THR 73 2HG2 THR 73 -4.988 -1.600 6.702 539 3HG2 THR 73 3HG2 THR 73 -5.203 -2.199 5.057 540 H VAL 74 H VAL 74 -7.988 1.938 5.296 541 HA VAL 74 HA VAL 74 -7.303 3.384 2.782 542 HB VAL 74 HB VAL 74 -9.903 3.974 4.181 543 1HG1 VAL 74 1HG1 VAL 74 -10.509 4.885 2.039 544 2HG1 VAL 74 2HG1 VAL 74 -9.120 4.127 1.258 545 3HG1 VAL 74 3HG1 VAL 74 -8.879 5.457 2.392 546 1HG2 VAL 74 1HG2 VAL 74 -10.952 2.445 2.412 547 2HG2 VAL 74 2HG2 VAL 74 -10.157 1.634 3.761 548 3HG2 VAL 74 3HG2 VAL 74 -9.344 1.754 2.200 549 H VAL 75 H VAL 75 -6.460 5.405 3.186 550 HA VAL 75 HA VAL 75 -6.589 6.410 6.007 551 HB VAL 75 HB VAL 75 -4.283 7.290 5.653 552 1HG1 VAL 75 1HG1 VAL 75 -3.181 5.206 6.013 553 2HG1 VAL 75 2HG1 VAL 75 -4.375 4.327 5.056 554 3HG1 VAL 75 3HG1 VAL 75 -4.818 4.984 6.632 555 1HG2 VAL 75 1HG2 VAL 75 -4.187 7.519 3.273 556 2HG2 VAL 75 2HG2 VAL 75 -4.614 5.827 3.023 557 3HG2 VAL 75 3HG2 VAL 75 -3.034 6.251 3.683 558 H GLU 76 H GLU 76 -5.867 8.861 5.973 559 HA GLU 76 HA GLU 76 -7.403 10.169 3.763 560 1HB GLU 76 2HB GLU 76 -7.845 10.361 6.448 561 2HB GLU 76 1HB GLU 76 -6.756 11.725 6.206 562 1HG GLU 76 2HG GLU 76 -8.229 12.507 4.337 563 2HG GLU 76 1HG GLU 76 -9.355 11.207 4.733 564 H LYS 77 H LYS 77 -6.393 11.728 2.537 565 HA LYS 77 HA LYS 77 -3.534 11.823 2.479 566 1HB LYS 77 2HB LYS 77 -5.563 12.589 0.772 567 2HB LYS 77 1HB LYS 77 -4.929 14.146 1.297 568 1HG LYS 77 2HG LYS 77 -3.241 11.882 0.185 569 2HG LYS 77 1HG LYS 77 -3.778 13.285 -0.740 570 1HD LYS 77 2HD LYS 77 -2.657 14.711 1.080 571 2HD LYS 77 1HD LYS 77 -1.881 13.218 1.609 572 1HE LYS 77 2HE LYS 77 -1.103 12.921 -0.803 573 2HE LYS 77 1HE LYS 77 -1.634 14.579 -1.082 574 1HZ LYS 77 1HZ LYS 77 0.268 15.273 -0.227 575 2HZ LYS 77 2HZ LYS 77 0.748 13.678 0.104 576 3HZ LYS 77 3HZ LYS 77 -0.129 14.561 1.259 577 H LYS 78 H LYS 78 -5.807 13.437 4.461 578 HA LYS 78 HA LYS 78 -3.712 15.417 5.284 579 1HB LYS 78 2HB LYS 78 -6.326 15.911 4.372 580 2HB LYS 78 1HB LYS 78 -6.422 16.107 6.119 581 1HG LYS 78 2HG LYS 78 -5.814 18.253 5.308 582 2HG LYS 78 1HG LYS 78 -4.307 17.561 5.906 583 1HD LYS 78 2HD LYS 78 -3.517 17.097 3.726 584 2HD LYS 78 1HD LYS 78 -5.124 17.248 3.015 585 1HE LYS 78 2HE LYS 78 -5.134 19.643 3.418 586 2HE LYS 78 1HE LYS 78 -3.607 19.539 4.292 587 1HZ LYS 78 1HZ LYS 78 -2.437 19.086 2.367 588 2HZ LYS 78 2HZ LYS 78 -3.578 20.228 1.836 589 3HZ LYS 78 3HZ LYS 78 -3.812 18.577 1.514 590 H ASP 79 H ASP 79 -5.079 12.583 6.199 591 HA ASP 79 HA ASP 79 -4.378 13.034 9.014 592 1HB ASP 79 2HB ASP 79 -6.846 13.728 8.630 593 2HB ASP 79 1HB ASP 79 -7.153 12.002 8.448 594 HA PRO 80 HA PRO 80 -3.537 8.796 7.260 595 1HB PRO 80 2HB PRO 80 -1.096 8.825 8.788 596 2HB PRO 80 1HB PRO 80 -1.289 8.872 7.034 597 1HG PRO 80 2HG PRO 80 -0.424 10.990 8.732 598 2HG PRO 80 1HG PRO 80 -0.723 11.062 6.993 599 1HD PRO 80 2HD PRO 80 -2.316 12.191 9.153 600 2HD PRO 80 1HD PRO 80 -2.531 12.396 7.397 601 H GLY 81 H GLY 81 -4.540 10.011 10.101 602 1HA GLY 81 2HA GLY 81 -4.021 7.536 11.689 603 2HA GLY 81 1HA GLY 81 -4.553 9.077 12.361 604 H LYS 82 H LYS 82 -6.552 9.454 10.190 605 HA LYS 82 HA LYS 82 -8.624 7.609 11.290 606 1HB LYS 82 2HB LYS 82 -8.792 10.304 9.919 607 2HB LYS 82 1HB LYS 82 -10.209 9.305 10.245 608 1HG LYS 82 2HG LYS 82 -9.432 9.245 12.684 609 2HG LYS 82 1HG LYS 82 -8.298 10.523 12.250 610 1HD LYS 82 2HD LYS 82 -11.246 10.768 11.636 611 2HD LYS 82 1HD LYS 82 -10.593 11.239 13.204 612 1HE LYS 82 2HE LYS 82 -9.716 12.329 10.511 613 2HE LYS 82 1HE LYS 82 -10.679 13.185 11.715 614 1HZ LYS 82 1HZ LYS 82 -7.864 12.297 11.942 615 2HZ LYS 82 2HZ LYS 82 -8.778 12.801 13.282 616 3HZ LYS 82 3HZ LYS 82 -8.465 13.881 12.009 617 H THR 83 H THR 83 -9.983 6.444 9.862 618 HA THR 83 HA THR 83 -8.799 5.980 7.185 619 HB THR 83 HB THR 83 -10.303 4.019 7.123 620 HG1 THR 83 1HG THR 83 -11.047 4.615 9.763 621 1HG2 THR 83 1HG2 THR 83 -9.312 2.800 9.043 622 2HG2 THR 83 2HG2 THR 83 -8.782 4.340 9.726 623 3HG2 THR 83 3HG2 THR 83 -8.113 3.775 8.193 624 H CYS 84 H CYS 84 -10.009 6.233 5.258 625 HA CYS 84 HA CYS 84 -11.886 8.393 5.219 626 1HB CYS 84 2HB CYS 84 -10.372 7.143 3.327 627 2HB CYS 84 1HB CYS 84 -11.963 6.487 2.945 628 H ASP 85 H ASP 85 -14.032 7.712 3.698 629 HA ASP 85 HA ASP 85 -15.649 6.152 5.598 630 1HB ASP 85 2HB ASP 85 -16.389 8.318 4.431 631 2HB ASP 85 1HB ASP 85 -16.587 7.336 2.980 632 H VAL 86 H VAL 86 -14.906 4.000 5.290 633 HA VAL 86 HA VAL 86 -14.911 2.836 2.593 634 HB VAL 86 HB VAL 86 -14.711 1.268 5.160 635 1HG1 VAL 86 1HG1 VAL 86 -14.761 -0.002 3.076 636 2HG1 VAL 86 2HG1 VAL 86 -13.133 -0.063 3.751 637 3HG1 VAL 86 3HG1 VAL 86 -13.487 1.010 2.396 638 1HG2 VAL 86 1HG2 VAL 86 -12.646 3.075 3.889 639 2HG2 VAL 86 2HG2 VAL 86 -12.195 1.728 4.934 640 3HG2 VAL 86 3HG2 VAL 86 -13.178 3.047 5.570 641 H THR 87 H THR 87 -16.191 0.742 2.269 642 HA THR 87 HA THR 87 -18.796 0.782 3.723 643 HB THR 87 HB THR 87 -18.599 0.493 0.717 644 HG1 THR 87 1HG THR 87 -18.218 2.560 0.806 645 1HG2 THR 87 1HG2 THR 87 -21.023 0.952 0.851 646 2HG2 THR 87 2HG2 THR 87 -20.900 1.061 2.607 647 3HG2 THR 87 3HG2 THR 87 -20.587 -0.474 1.794 648 H GLY 88 H GLY 88 -16.442 -0.957 1.768 649 1HA GLY 88 2HA GLY 88 -16.500 -3.380 3.044 650 2HA GLY 88 1HA GLY 88 -17.893 -3.493 1.966 651 H TRP 89 H TRP 89 -15.745 -5.229 1.635 652 HA TRP 89 HA TRP 89 -14.321 -4.154 -0.770 653 1HB TRP 89 2HB TRP 89 -13.542 -6.709 0.610 654 2HB TRP 89 1HB TRP 89 -12.533 -5.576 -0.291 655 HD1 TRP 89 HD TRP 89 -11.836 -3.295 0.941 656 HE1 TRP 89 1HE TRP 89 -11.631 -2.718 3.446 657 HE3 TRP 89 3HE TRP 89 -14.503 -7.156 2.956 658 HZ2 TRP 89 2HZ TRP 89 -12.487 -3.757 5.970 659 HZ3 TRP 89 3HZ TRP 89 -14.792 -7.338 5.410 660 HH2 TRP 89 HH TRP 89 -13.789 -5.646 6.918 661 H VAL 90 H VAL 90 -14.031 -5.761 -2.559 662 HA VAL 90 HA VAL 90 -16.026 -7.953 -2.608 663 HB VAL 90 HB VAL 90 -15.957 -5.753 -4.691 664 1HG1 VAL 90 1HG1 VAL 90 -17.986 -6.960 -5.542 665 2HG1 VAL 90 2HG1 VAL 90 -17.651 -8.248 -4.385 666 3HG1 VAL 90 3HG1 VAL 90 -16.503 -7.904 -5.678 667 1HG2 VAL 90 1HG2 VAL 90 -18.310 -5.354 -3.839 668 2HG2 VAL 90 2HG2 VAL 90 -17.036 -4.917 -2.701 669 3HG2 VAL 90 3HG2 VAL 90 -17.929 -6.423 -2.489 670 H LEU 91 H LEU 91 -15.281 -9.678 -3.802 671 HA LEU 91 HA LEU 91 -12.598 -9.934 -4.550 672 1HB LEU 91 2HB LEU 91 -15.112 -11.379 -5.216 673 2HB LEU 91 1HB LEU 91 -13.764 -11.650 -6.317 674 HG LEU 91 HG LEU 91 -12.324 -12.215 -4.355 675 1HD1 LEU 91 1HD1 LEU 91 -13.432 -12.630 -2.184 676 2HD1 LEU 91 2HD1 LEU 91 -14.952 -12.029 -2.848 677 3HD1 LEU 91 3HD1 LEU 91 -13.580 -10.937 -2.658 678 1HD2 LEU 91 1HD2 LEU 91 -13.265 -14.423 -4.008 679 2HD2 LEU 91 2HD2 LEU 91 -13.595 -13.946 -5.673 680 3HD2 LEU 91 3HD2 LEU 91 -14.873 -13.858 -4.461 Start of MODEL 5 1 1H GLN 1 1HT GLN 1 -3.207 -1.123 -14.041 2 2H GLN 1 2HT GLN 1 -4.331 -2.237 -14.660 3 3H GLN 1 3HT GLN 1 -2.981 -1.783 -15.587 4 HA GLN 1 HA GLN 1 -3.207 -3.753 -13.490 5 1HB GLN 1 2HB GLN 1 -2.574 -4.144 -15.906 6 2HB GLN 1 1HB GLN 1 -1.073 -3.274 -15.588 7 1HG GLN 1 2HG GLN 1 -0.589 -5.613 -15.312 8 2HG GLN 1 1HG GLN 1 -0.649 -4.911 -13.695 9 1HE2 GLN 1 1HE2 GLN 1 -1.116 -7.365 -13.218 10 2HE2 GLN 1 2HE2 GLN 1 -2.748 -7.833 -13.237 11 H CYS 2 H CYS 2 -2.348 -3.396 -11.505 12 HA CYS 2 HA CYS 2 -0.929 -2.571 -9.825 13 1HB CYS 2 2HB CYS 2 0.655 -4.016 -11.154 14 2HB CYS 2 1HB CYS 2 1.138 -2.570 -12.041 15 H TYR 3 H TYR 3 0.664 -0.672 -9.356 16 HA TYR 3 HA TYR 3 0.248 1.648 -11.149 17 1HB TYR 3 2HB TYR 3 -1.671 1.417 -9.402 18 2HB TYR 3 1HB TYR 3 -0.457 1.923 -8.227 19 HD1 TYR 3 1HD TYR 3 -0.200 4.211 -7.835 20 HD2 TYR 3 2HD TYR 3 -1.728 2.890 -11.627 21 HE1 TYR 3 1HE TYR 3 -0.529 6.570 -8.524 22 HE2 TYR 3 2HE TYR 3 -2.055 5.249 -12.316 23 HH TYR 3 HH TYR 3 -2.440 7.541 -10.893 24 H PHE 4 H PHE 4 2.253 2.529 -11.329 25 HA PHE 4 HA PHE 4 4.083 2.370 -8.964 26 1HB PHE 4 2HB PHE 4 5.937 2.432 -10.523 27 2HB PHE 4 1HB PHE 4 4.825 1.165 -11.039 28 HD1 PHE 4 1HD PHE 4 6.393 4.316 -11.906 29 HD2 PHE 4 2HD PHE 4 3.183 1.641 -12.902 30 HE1 PHE 4 1HE PHE 4 6.153 5.426 -14.111 31 HE2 PHE 4 2HE PHE 4 2.942 2.752 -15.106 32 HZ PHE 4 HZ PHE 4 4.428 4.644 -15.711 33 H ILE 5 H ILE 5 4.710 4.264 -8.061 34 HA ILE 5 HA ILE 5 4.104 6.787 -9.548 35 HB ILE 5 HB ILE 5 4.284 6.393 -6.551 36 1HG1 ILE 5 2HG1 ILE 5 1.826 6.640 -8.314 37 2HG1 ILE 5 1HG1 ILE 5 2.386 5.139 -7.576 38 1HG2 ILE 5 1HG2 ILE 5 3.296 8.604 -6.430 39 2HG2 ILE 5 2HG2 ILE 5 3.119 8.666 -8.183 40 3HG2 ILE 5 3HG2 ILE 5 4.726 8.694 -7.457 41 1HD1 ILE 5 1HD1 ILE 5 2.245 6.327 -5.331 42 2HD1 ILE 5 2HD1 ILE 5 0.697 6.020 -6.119 43 3HD1 ILE 5 3HD1 ILE 5 1.407 7.633 -6.169 44 HA PRO 6 HA PRO 6 8.556 7.314 -9.565 45 1HB PRO 6 2HB PRO 6 8.305 10.185 -9.570 46 2HB PRO 6 1HB PRO 6 8.694 9.118 -10.921 47 1HG PRO 6 2HG PRO 6 6.226 10.523 -10.402 48 2HG PRO 6 1HG PRO 6 6.656 9.540 -11.806 49 1HD PRO 6 2HD PRO 6 4.784 8.882 -9.759 50 2HD PRO 6 1HD PRO 6 5.352 7.820 -11.071 51 H ASN 7 H ASN 7 10.191 7.872 -8.052 52 HA ASN 7 HA ASN 7 9.623 7.876 -5.335 53 1HB ASN 7 2HB ASN 7 11.914 7.746 -6.580 54 2HB ASN 7 1HB ASN 7 11.942 9.497 -6.376 55 1HD2 ASN 7 1HD2 ASN 7 10.399 9.258 -3.765 56 2HD2 ASN 7 2HD2 ASN 7 11.545 8.722 -2.634 57 H GLN 8 H GLN 8 8.059 9.252 -4.533 58 HA GLN 8 HA GLN 8 8.120 12.117 -5.247 59 1HB GLN 8 2HB GLN 8 6.060 12.260 -3.909 60 2HB GLN 8 1HB GLN 8 5.949 10.939 -5.072 61 1HG GLN 8 2HG GLN 8 6.846 9.437 -3.169 62 2HG GLN 8 1HG GLN 8 6.435 10.776 -2.097 63 1HE2 GLN 8 1HE2 GLN 8 5.127 8.120 -3.925 64 2HE2 GLN 8 2HE2 GLN 8 3.493 8.405 -3.561 65 H SER 9 H SER 9 9.847 10.277 -3.160 66 HA SER 9 HA SER 9 9.636 11.670 -0.672 67 1HB SER 9 2HB SER 9 10.859 9.477 -1.102 68 2HB SER 9 1HB SER 9 12.166 10.438 -1.788 69 HG SER 9 HG SER 9 11.090 10.600 0.839 70 H LEU 10 H LEU 10 11.272 13.208 0.200 71 HA LEU 10 HA LEU 10 11.643 15.443 -1.585 72 1HB LEU 10 2HB LEU 10 12.999 15.007 1.087 73 2HB LEU 10 1HB LEU 10 12.660 16.546 0.298 74 HG LEU 10 HG LEU 10 10.529 14.582 1.196 75 1HD1 LEU 10 1HD1 LEU 10 11.506 15.420 3.191 76 2HD1 LEU 10 2HD1 LEU 10 10.100 16.447 2.911 77 3HD1 LEU 10 3HD1 LEU 10 11.714 17.032 2.509 78 1HD2 LEU 10 1HD2 LEU 10 9.633 15.912 -0.551 79 2HD2 LEU 10 2HD2 LEU 10 10.506 17.350 -0.021 80 3HD2 LEU 10 3HD2 LEU 10 9.139 16.751 0.918 81 H LYS 11 H LYS 11 13.702 12.799 -0.532 82 HA LYS 11 HA LYS 11 15.668 13.580 -2.592 83 1HB LYS 11 2HB LYS 11 17.317 12.877 -0.439 84 2HB LYS 11 1HB LYS 11 17.081 14.504 -1.073 85 1HG LYS 11 2HG LYS 11 15.291 14.931 0.491 86 2HG LYS 11 1HG LYS 11 15.294 13.251 1.026 87 1HD LYS 11 2HD LYS 11 17.555 13.510 1.927 88 2HD LYS 11 1HD LYS 11 17.620 15.170 1.335 89 1HE LYS 11 2HE LYS 11 17.013 15.409 3.606 90 2HE LYS 11 1HE LYS 11 15.481 15.546 2.745 91 1HZ LYS 11 1HZ LYS 11 14.827 13.456 3.385 92 2HZ LYS 11 2HZ LYS 11 15.684 13.961 4.762 93 3HZ LYS 11 3HZ LYS 11 16.410 12.906 3.645 94 HA PRO 12 HA PRO 12 15.971 9.242 -3.275 95 1HB PRO 12 2HB PRO 12 18.845 9.066 -3.136 96 2HB PRO 12 1HB PRO 12 17.820 9.121 -4.572 97 1HG PRO 12 2HG PRO 12 19.509 11.203 -3.493 98 2HG PRO 12 1HG PRO 12 18.583 11.208 -4.997 99 1HD PRO 12 2HD PRO 12 18.028 12.723 -2.647 100 2HD PRO 12 1HD PRO 12 16.987 12.559 -4.083 101 H ASN 13 H ASN 13 17.671 7.303 -2.360 102 HA ASN 13 HA ASN 13 18.019 5.927 -0.494 103 1HB ASN 13 2HB ASN 13 19.696 7.827 -0.118 104 2HB ASN 13 1HB ASN 13 18.524 8.495 1.019 105 1HD2 ASN 13 1HD2 ASN 13 19.449 8.011 3.046 106 2HD2 ASN 13 2HD2 ASN 13 19.907 6.451 3.535 107 H GLU 14 H GLU 14 15.320 6.699 -0.972 108 HA GLU 14 HA GLU 14 14.254 6.333 1.757 109 1HB GLU 14 2HB GLU 14 13.638 8.701 -0.010 110 2HB GLU 14 1HB GLU 14 12.485 8.138 1.201 111 1HG GLU 14 2HG GLU 14 14.269 8.328 2.930 112 2HG GLU 14 1HG GLU 14 15.340 9.007 1.705 113 H CYS 15 H CYS 15 11.751 6.105 1.548 114 HA CYS 15 HA CYS 15 10.827 5.055 -1.036 115 1HB CYS 15 2HB CYS 15 11.574 3.290 1.267 116 2HB CYS 15 1HB CYS 15 10.149 2.861 0.320 117 H GLN 16 H GLN 16 9.635 7.134 -0.108 118 HA GLN 16 HA GLN 16 7.472 6.340 1.777 119 1HB GLN 16 2HB GLN 16 7.816 9.108 0.644 120 2HB GLN 16 1HB GLN 16 7.145 8.619 2.201 121 1HG GLN 16 2HG GLN 16 9.512 7.736 2.735 122 2HG GLN 16 1HG GLN 16 10.040 8.696 1.354 123 1HE2 GLN 16 1HE2 GLN 16 8.971 8.858 4.679 124 2HE2 GLN 16 2HE2 GLN 16 9.098 10.543 4.846 125 H ASP 17 H ASP 17 5.260 6.635 1.190 126 HA ASP 17 HA ASP 17 4.617 7.332 -1.603 127 1HB ASP 17 2HB ASP 17 5.182 4.825 -1.482 128 2HB ASP 17 1HB ASP 17 3.716 4.657 -0.514 129 H LEU 18 H LEU 18 2.561 8.212 -1.718 130 HA LEU 18 HA LEU 18 0.552 9.115 -0.905 131 1HB LEU 18 2HB LEU 18 0.443 6.700 0.912 132 2HB LEU 18 1HB LEU 18 -0.904 7.595 0.208 133 HG LEU 18 HG LEU 18 1.108 5.909 -1.312 134 1HD1 LEU 18 1HD1 LEU 18 -0.633 4.661 -0.019 135 2HD1 LEU 18 2HD1 LEU 18 -0.793 4.455 -1.763 136 3HD1 LEU 18 3HD1 LEU 18 -1.875 5.549 -0.902 137 1HD2 LEU 18 1HD2 LEU 18 0.528 7.702 -2.757 138 2HD2 LEU 18 2HD2 LEU 18 -1.141 7.730 -2.188 139 3HD2 LEU 18 3HD2 LEU 18 -0.579 6.405 -3.207 140 H LYS 19 H LYS 19 -0.296 8.408 1.966 141 HA LYS 19 HA LYS 19 1.600 10.292 3.325 142 1HB LYS 19 2HB LYS 19 -1.387 10.015 3.386 143 2HB LYS 19 1HB LYS 19 -0.571 10.560 4.852 144 1HG LYS 19 2HG LYS 19 0.135 11.843 2.226 145 2HG LYS 19 1HG LYS 19 -1.352 12.321 3.043 146 1HD LYS 19 2HD LYS 19 -0.186 13.075 4.967 147 2HD LYS 19 1HD LYS 19 1.298 12.248 4.492 148 1HE LYS 19 2HE LYS 19 1.564 13.761 2.585 149 2HE LYS 19 1HE LYS 19 0.044 14.561 2.984 150 1HZ LYS 19 1HZ LYS 19 1.124 14.954 5.248 151 2HZ LYS 19 2HZ LYS 19 1.652 15.906 3.943 152 3HZ LYS 19 3HZ LYS 19 2.590 14.593 4.476 153 H GLY 20 H GLY 20 0.348 7.126 3.289 154 1HA GLY 20 2HA GLY 20 0.749 6.671 6.175 155 2HA GLY 20 1HA GLY 20 0.221 5.467 5.002 156 H VAL 21 H VAL 21 2.261 5.598 3.111 157 HA VAL 21 HA VAL 21 4.360 4.141 4.494 158 HB VAL 21 HB VAL 21 4.391 5.144 1.642 159 1HG1 VAL 21 1HG1 VAL 21 5.813 3.137 1.305 160 2HG1 VAL 21 2HG1 VAL 21 5.712 2.796 3.032 161 3HG1 VAL 21 3HG1 VAL 21 6.525 4.255 2.468 162 1HG2 VAL 21 1HG2 VAL 21 3.472 2.795 1.180 163 2HG2 VAL 21 2HG2 VAL 21 2.331 3.959 1.853 164 3HG2 VAL 21 3HG2 VAL 21 3.059 2.736 2.894 165 H SER 22 H SER 22 6.376 4.864 5.088 166 HA SER 22 HA SER 22 7.651 7.206 4.031 167 1HB SER 22 2HB SER 22 6.064 7.511 6.577 168 2HB SER 22 1HB SER 22 7.489 8.500 6.275 169 HG SER 22 HG SER 22 5.031 8.408 4.925 170 H HIS 23 H HIS 23 9.341 5.566 4.050 171 HA HIS 23 HA HIS 23 10.781 5.517 6.624 172 1HB HIS 23 2HB HIS 23 9.355 3.211 5.513 173 2HB HIS 23 1HB HIS 23 11.066 2.872 5.761 174 HD1 HIS 23 1HD HIS 23 8.935 5.155 7.918 175 HD2 HIS 23 2HD HIS 23 10.887 1.480 8.180 176 HE1 HIS 23 1HE HIS 23 8.799 4.442 10.345 177 HA PRO 24 HA PRO 24 14.336 5.939 4.054 178 1HB PRO 24 2HB PRO 24 15.883 3.833 5.265 179 2HB PRO 24 1HB PRO 24 15.996 5.571 5.547 180 1HG PRO 24 2HG PRO 24 14.900 3.549 7.286 181 2HG PRO 24 1HG PRO 24 15.097 5.275 7.601 182 1HD PRO 24 2HD PRO 24 12.644 3.872 7.155 183 2HD PRO 24 1HD PRO 24 12.864 5.631 7.324 184 H LEU 25 H LEU 25 15.628 4.806 2.372 185 HA LEU 25 HA LEU 25 14.184 3.031 0.760 186 1HB LEU 25 2HB LEU 25 16.430 4.338 0.331 187 2HB LEU 25 1HB LEU 25 17.187 2.837 0.859 188 HG LEU 25 HG LEU 25 15.155 3.079 -1.381 189 1HD1 LEU 25 1HD1 LEU 25 17.247 4.040 -2.091 190 2HD1 LEU 25 2HD1 LEU 25 17.160 2.421 -2.783 191 3HD1 LEU 25 3HD1 LEU 25 18.164 2.721 -1.363 192 1HD2 LEU 25 1HD2 LEU 25 16.081 0.682 -1.794 193 2HD2 LEU 25 2HD2 LEU 25 14.910 0.903 -0.495 194 3HD2 LEU 25 3HD2 LEU 25 16.628 0.765 -0.120 195 H ASN 26 H ASN 26 13.273 1.382 2.112 196 HA ASN 26 HA ASN 26 14.865 -0.335 3.767 197 1HB ASN 26 2HB ASN 26 12.113 -0.615 2.549 198 2HB ASN 26 1HB ASN 26 12.823 -1.867 3.569 199 1HD2 ASN 26 1HD2 ASN 26 10.890 -1.237 5.025 200 2HD2 ASN 26 2HD2 ASN 26 11.116 0.056 6.101 201 H SER 27 H SER 27 12.955 -1.795 1.210 202 HA SER 27 HA SER 27 15.150 -2.542 -0.496 203 1HB SER 27 2HB SER 27 15.266 -4.939 0.123 204 2HB SER 27 1HB SER 27 15.802 -3.904 1.443 205 HG SER 27 HG SER 27 13.376 -4.052 1.976 206 H VAL 28 H VAL 28 14.108 -5.109 -1.234 207 HA VAL 28 HA VAL 28 11.489 -4.271 -2.405 208 HB VAL 28 HB VAL 28 12.115 -6.221 -4.021 209 1HG1 VAL 28 1HG1 VAL 28 13.305 -4.687 -5.454 210 2HG1 VAL 28 2HG1 VAL 28 13.838 -3.732 -4.071 211 3HG1 VAL 28 3HG1 VAL 28 12.136 -3.744 -4.531 212 1HG2 VAL 28 1HG2 VAL 28 14.860 -5.520 -2.952 213 2HG2 VAL 28 2HG2 VAL 28 14.474 -6.710 -4.195 214 3HG2 VAL 28 3HG2 VAL 28 13.992 -6.994 -2.522 215 H TRP 29 H TRP 29 9.705 -5.475 -1.856 216 HA TRP 29 HA TRP 29 10.120 -8.208 -0.752 217 1HB TRP 29 2HB TRP 29 8.589 -7.721 1.128 218 2HB TRP 29 1HB TRP 29 10.030 -6.708 1.196 219 HD1 TRP 29 HD TRP 29 6.289 -6.576 0.500 220 HE1 TRP 29 1HE TRP 29 5.525 -4.114 0.491 221 HE3 TRP 29 3HE TRP 29 10.826 -4.240 0.765 222 HZ2 TRP 29 2HZ TRP 29 6.683 -1.499 0.581 223 HZ3 TRP 29 3HZ TRP 29 10.963 -1.766 0.805 224 HH2 TRP 29 HH TRP 29 8.901 -0.395 0.712 225 H LYS 30 H LYS 30 8.513 -9.616 -1.311 226 HA LYS 30 HA LYS 30 6.047 -8.509 -2.584 227 1HB LYS 30 2HB LYS 30 7.936 -10.613 -3.647 228 2HB LYS 30 1HB LYS 30 6.254 -10.528 -4.175 229 1HG LYS 30 2HG LYS 30 6.538 -8.333 -5.063 230 2HG LYS 30 1HG LYS 30 8.091 -8.129 -4.254 231 1HD LYS 30 2HD LYS 30 8.440 -8.612 -6.631 232 2HD LYS 30 1HD LYS 30 9.038 -9.948 -5.647 233 1HE LYS 30 2HE LYS 30 7.223 -11.335 -6.204 234 2HE LYS 30 1HE LYS 30 6.219 -9.976 -6.712 235 1HZ LYS 30 1HZ LYS 30 7.566 -9.665 -8.631 236 2HZ LYS 30 2HZ LYS 30 7.148 -11.309 -8.566 237 3HZ LYS 30 3HZ LYS 30 8.704 -10.807 -8.105 238 H THR 31 H THR 31 4.202 -9.946 -2.413 239 HA THR 31 HA THR 31 4.513 -11.977 -0.229 240 HB THR 31 HB THR 31 2.204 -11.510 0.368 241 HG1 THR 31 1HG THR 31 1.489 -11.049 -1.760 242 1HG2 THR 31 1HG2 THR 31 4.002 -9.113 0.017 243 2HG2 THR 31 2HG2 THR 31 3.689 -10.043 1.482 244 3HG2 THR 31 3HG2 THR 31 2.440 -8.987 0.824 245 H LYS 32 H LYS 32 2.317 -13.452 -0.417 246 HA LYS 32 HA LYS 32 2.420 -14.586 -3.186 247 1HB LYS 32 2HB LYS 32 3.197 -16.006 -1.214 248 2HB LYS 32 1HB LYS 32 1.520 -16.006 -0.669 249 1HG LYS 32 2HG LYS 32 0.917 -16.846 -3.014 250 2HG LYS 32 1HG LYS 32 2.641 -17.147 -3.233 251 1HD LYS 32 2HD LYS 32 0.897 -18.311 -1.041 252 2HD LYS 32 1HD LYS 32 1.533 -19.185 -2.436 253 1HE LYS 32 2HE LYS 32 3.862 -18.399 -1.596 254 2HE LYS 32 1HE LYS 32 3.037 -18.067 -0.074 255 1HZ LYS 32 1HZ LYS 32 3.359 -20.207 0.372 256 2HZ LYS 32 2HZ LYS 32 3.787 -20.577 -1.231 257 3HZ LYS 32 3HZ LYS 32 2.152 -20.542 -0.770 258 H ASP 33 H ASP 33 0.709 -13.442 -4.137 259 HA ASP 33 HA ASP 33 -1.530 -13.020 -4.678 260 1HB ASP 33 2HB ASP 33 -1.589 -15.570 -4.091 261 2HB ASP 33 1HB ASP 33 -2.385 -15.035 -2.610 262 H CYS 34 H CYS 34 -0.460 -11.213 -2.950 263 HA CYS 34 HA CYS 34 -2.819 -10.430 -1.378 264 1HB CYS 34 2HB CYS 34 -0.124 -10.953 -0.100 265 2HB CYS 34 1HB CYS 34 -1.394 -10.000 0.668 266 H GLU 35 H GLU 35 0.629 -9.622 -1.848 267 HA GLU 35 HA GLU 35 -0.106 -7.059 -3.051 268 1HB GLU 35 2HB GLU 35 -0.340 -6.425 -0.727 269 2HB GLU 35 1HB GLU 35 1.198 -7.181 -0.316 270 1HG GLU 35 2HG GLU 35 2.451 -5.536 -1.451 271 2HG GLU 35 1HG GLU 35 1.055 -4.982 -2.374 272 H GLU 36 H GLU 36 1.839 -5.887 -3.797 273 HA GLU 36 HA GLU 36 4.398 -7.359 -3.697 274 1HB GLU 36 2HB GLU 36 2.916 -6.796 -6.285 275 2HB GLU 36 1HB GLU 36 4.590 -7.344 -6.187 276 1HG GLU 36 2HG GLU 36 3.708 -9.317 -4.813 277 2HG GLU 36 1HG GLU 36 2.097 -8.827 -5.337 278 H CYS 37 H CYS 37 5.431 -5.572 -2.794 279 HA CYS 37 HA CYS 37 5.341 -3.044 -4.390 280 1HB CYS 37 2HB CYS 37 5.401 -3.526 -1.427 281 2HB CYS 37 1HB CYS 37 6.070 -2.034 -2.088 282 H THR 38 H THR 38 7.242 -2.283 -5.119 283 HA THR 38 HA THR 38 9.767 -3.448 -4.007 284 HB THR 38 HB THR 38 10.693 -3.466 -6.265 285 HG1 THR 38 1HG THR 38 9.790 -2.352 -7.779 286 1HG2 THR 38 1HG2 THR 38 9.403 -5.445 -5.523 287 2HG2 THR 38 2HG2 THR 38 9.284 -5.208 -7.267 288 3HG2 THR 38 3HG2 THR 38 7.944 -4.740 -6.221 289 H CYS 39 H CYS 39 11.608 -1.971 -4.139 290 HA CYS 39 HA CYS 39 10.743 0.895 -4.246 291 1HB CYS 39 2HB CYS 39 12.579 -0.642 -2.491 292 2HB CYS 39 1HB CYS 39 13.148 0.960 -2.962 293 H GLY 40 H GLY 40 11.127 1.278 -6.460 294 1HA GLY 40 2HA GLY 40 13.663 0.513 -7.695 295 2HA GLY 40 1HA GLY 40 12.410 1.509 -8.437 296 H GLN 41 H GLN 41 15.503 1.735 -7.720 297 HA GLN 41 HA GLN 41 15.871 3.957 -6.028 298 1HB GLN 41 2HB GLN 41 17.423 3.270 -8.541 299 2HB GLN 41 1HB GLN 41 17.981 4.327 -7.244 300 1HG GLN 41 2HG GLN 41 17.337 2.138 -5.783 301 2HG GLN 41 1HG GLN 41 17.764 1.356 -7.304 302 1HE2 GLN 41 1HE2 GLN 41 19.105 2.335 -4.418 303 2HE2 GLN 41 2HE2 GLN 41 20.711 2.561 -4.918 304 H ASP 42 H ASP 42 14.038 3.880 -8.803 305 HA ASP 42 HA ASP 42 14.339 6.840 -9.165 306 1HB ASP 42 2HB ASP 42 13.536 4.890 -11.339 307 2HB ASP 42 1HB ASP 42 13.949 6.595 -11.521 308 H ALA 43 H ALA 43 12.254 4.085 -8.764 309 HA ALA 43 HA ALA 43 10.009 5.854 -8.148 310 1HB ALA 43 1HB ALA 43 9.756 3.933 -10.482 311 2HB ALA 43 2HB ALA 43 9.885 5.685 -10.635 312 3HB ALA 43 3HB ALA 43 8.482 4.970 -9.839 313 H ILE 44 H ILE 44 8.134 4.578 -7.327 314 HA ILE 44 HA ILE 44 9.038 1.943 -6.224 315 HB ILE 44 HB ILE 44 6.854 3.746 -5.142 316 1HG1 ILE 44 2HG1 ILE 44 9.802 3.571 -4.453 317 2HG1 ILE 44 1HG1 ILE 44 8.910 4.996 -4.988 318 1HG2 ILE 44 1HG2 ILE 44 8.445 1.571 -3.764 319 2HG2 ILE 44 2HG2 ILE 44 6.914 1.255 -4.582 320 3HG2 ILE 44 3HG2 ILE 44 6.965 2.349 -3.199 321 1HD1 ILE 44 1HD1 ILE 44 9.094 5.259 -2.638 322 2HD1 ILE 44 2HD1 ILE 44 8.723 3.562 -2.337 323 3HD1 ILE 44 3HD1 ILE 44 7.456 4.657 -2.888 324 H SER 45 H SER 45 7.924 0.176 -6.939 325 HA SER 45 HA SER 45 5.365 0.659 -8.411 326 1HB SER 45 2HB SER 45 6.934 -1.890 -8.621 327 2HB SER 45 1HB SER 45 5.874 -1.134 -9.807 328 HG SER 45 HG SER 45 7.779 -0.538 -10.561 329 H CYS 46 H CYS 46 3.544 -0.050 -7.454 330 HA CYS 46 HA CYS 46 3.739 -2.313 -5.507 331 1HB CYS 46 2HB CYS 46 2.460 0.386 -5.186 332 2HB CYS 46 1HB CYS 46 1.762 -1.005 -4.357 333 H CYS 47 H CYS 47 2.304 -3.916 -5.931 334 HA CYS 47 HA CYS 47 -0.061 -3.276 -7.656 335 1HB CYS 47 2HB CYS 47 1.343 -5.937 -7.796 336 2HB CYS 47 1HB CYS 47 0.307 -5.164 -8.996 337 H ASN 48 H ASN 48 -1.970 -4.015 -6.833 338 HA ASN 48 HA ASN 48 -1.836 -5.827 -4.452 339 1HB ASN 48 2HB ASN 48 -4.195 -4.868 -4.054 340 2HB ASN 48 1HB ASN 48 -2.833 -3.780 -3.783 341 1HD2 ASN 48 1HD2 ASN 48 -2.497 -2.035 -5.310 342 2HD2 ASN 48 2HD2 ASN 48 -3.659 -1.631 -6.480 343 H THR 49 H THR 49 -3.356 -7.562 -4.334 344 HA THR 49 HA THR 49 -4.803 -8.175 -6.884 345 HB THR 49 HB THR 49 -4.067 -10.442 -6.829 346 HG1 THR 49 1HG THR 49 -3.908 -9.980 -4.239 347 1HG2 THR 49 1HG2 THR 49 -1.633 -8.871 -5.966 348 2HG2 THR 49 2HG2 THR 49 -2.381 -8.675 -7.551 349 3HG2 THR 49 3HG2 THR 49 -1.701 -10.233 -7.084 350 H ALA 50 H ALA 50 -4.930 -7.828 -3.516 351 HA ALA 50 HA ALA 50 -7.065 -9.768 -3.038 352 1HB ALA 50 1HB ALA 50 -5.556 -9.112 -1.212 353 2HB ALA 50 2HB ALA 50 -7.216 -8.672 -0.817 354 3HB ALA 50 3HB ALA 50 -6.082 -7.436 -1.363 355 H ALA 51 H ALA 51 -9.216 -8.919 -2.125 356 HA ALA 51 HA ALA 51 -10.691 -7.538 -4.038 357 1HB ALA 51 1HB ALA 51 -12.421 -7.361 -2.439 358 2HB ALA 51 2HB ALA 51 -11.287 -7.182 -1.101 359 3HB ALA 51 3HB ALA 51 -11.488 -8.750 -1.882 360 H ILE 52 H ILE 52 -11.755 -5.294 -3.665 361 HA ILE 52 HA ILE 52 -9.719 -3.355 -2.652 362 HB ILE 52 HB ILE 52 -11.407 -2.971 -5.137 363 1HG1 ILE 52 2HG1 ILE 52 -9.053 -3.195 -6.230 364 2HG1 ILE 52 1HG1 ILE 52 -8.602 -4.024 -4.743 365 1HG2 ILE 52 1HG2 ILE 52 -8.984 -1.471 -4.104 366 2HG2 ILE 52 2HG2 ILE 52 -10.652 -0.929 -3.906 367 3HG2 ILE 52 3HG2 ILE 52 -9.953 -1.060 -5.520 368 1HD1 ILE 52 1HD1 ILE 52 -9.544 -5.919 -5.507 369 2HD1 ILE 52 2HD1 ILE 52 -9.976 -5.095 -7.002 370 3HD1 ILE 52 3HD1 ILE 52 -11.105 -5.109 -5.649 371 HA PRO 53 HA PRO 53 -13.292 -1.987 -0.314 372 1HB PRO 53 2HB PRO 53 -12.188 0.656 -0.027 373 2HB PRO 53 1HB PRO 53 -12.244 -0.641 1.168 374 1HG PRO 53 2HG PRO 53 -9.961 0.335 -0.282 375 2HG PRO 53 1HG PRO 53 -10.013 -0.931 0.947 376 1HD PRO 53 2HD PRO 53 -9.584 -1.253 -1.872 377 2HD PRO 53 1HD PRO 53 -9.725 -2.535 -0.643 378 H THR 54 H THR 54 -15.215 -0.995 -0.905 379 HA THR 54 HA THR 54 -15.152 1.134 -2.982 380 HB THR 54 HB THR 54 -16.539 0.015 -4.487 381 HG1 THR 54 1HG THR 54 -17.239 -1.579 -2.259 382 1HG2 THR 54 1HG2 THR 54 -15.528 -2.093 -4.944 383 2HG2 THR 54 2HG2 THR 54 -15.143 -2.358 -3.244 384 3HG2 THR 54 3HG2 THR 54 -14.276 -1.127 -4.164 385 H GLY 55 H GLY 55 -17.734 1.656 -3.345 386 1HA GLY 55 2HA GLY 55 -19.699 2.480 -2.356 387 2HA GLY 55 1HA GLY 55 -19.382 1.421 -0.982 388 H TYR 56 H TYR 56 -16.668 2.587 -0.576 389 HA TYR 56 HA TYR 56 -17.470 4.748 1.182 390 1HB TYR 56 2HB TYR 56 -15.465 4.355 2.154 391 2HB TYR 56 1HB TYR 56 -15.294 3.015 1.025 392 HD1 TYR 56 1HD TYR 56 -13.751 3.120 -0.812 393 HD2 TYR 56 2HD TYR 56 -14.498 6.594 1.603 394 HE1 TYR 56 1HE TYR 56 -11.823 4.269 -1.866 395 HE2 TYR 56 2HE TYR 56 -12.572 7.742 0.548 396 HH TYR 56 HH TYR 56 -11.303 7.114 -2.135 397 H ASP 57 H ASP 57 -17.630 6.874 0.660 398 HA ASP 57 HA ASP 57 -17.314 7.845 -1.989 399 1HB ASP 57 2HB ASP 57 -17.450 10.112 -0.941 400 2HB ASP 57 1HB ASP 57 -18.711 9.017 -0.372 401 H THR 58 H THR 58 -15.507 8.404 -3.105 402 HA THR 58 HA THR 58 -12.912 8.432 -1.687 403 HB THR 58 HB THR 58 -11.909 8.233 -3.824 404 HG1 THR 58 1HG THR 58 -12.673 9.364 -5.396 405 1HG2 THR 58 1HG2 THR 58 -13.278 6.255 -3.118 406 2HG2 THR 58 2HG2 THR 58 -13.085 6.385 -4.867 407 3HG2 THR 58 3HG2 THR 58 -14.601 6.873 -4.108 408 H ASN 59 H ASN 59 -13.848 10.530 -0.617 409 HA ASN 59 HA ASN 59 -13.708 12.915 -2.333 410 1HB ASN 59 2HB ASN 59 -15.337 12.739 -0.444 411 2HB ASN 59 1HB ASN 59 -13.979 12.724 0.682 412 1HD2 ASN 59 1HD2 ASN 59 -16.203 14.795 -0.721 413 2HD2 ASN 59 2HD2 ASN 59 -15.338 16.250 -0.592 414 H LYS 60 H LYS 60 -11.752 11.367 0.201 415 HA LYS 60 HA LYS 60 -9.324 12.541 -0.814 416 1HB LYS 60 2HB LYS 60 -10.564 14.462 0.445 417 2HB LYS 60 1HB LYS 60 -10.081 13.603 1.907 418 1HG LYS 60 2HG LYS 60 -7.732 13.752 1.269 419 2HG LYS 60 1HG LYS 60 -8.166 14.490 -0.275 420 1HD LYS 60 2HD LYS 60 -9.278 16.349 1.038 421 2HD LYS 60 1HD LYS 60 -8.552 15.662 2.490 422 1HE LYS 60 2HE LYS 60 -6.308 15.913 1.481 423 2HE LYS 60 1HE LYS 60 -7.041 16.625 0.044 424 1HZ LYS 60 1HZ LYS 60 -7.077 18.577 1.053 425 2HZ LYS 60 2HZ LYS 60 -6.328 17.899 2.419 426 3HZ LYS 60 3HZ LYS 60 -8.023 17.949 2.313 427 H CYS 61 H CYS 61 -9.394 10.024 -0.526 428 HA CYS 61 HA CYS 61 -7.926 9.429 1.979 429 1HB CYS 61 2HB CYS 61 -10.289 7.768 1.054 430 2HB CYS 61 1HB CYS 61 -9.279 7.456 2.466 431 H GLN 62 H GLN 62 -7.012 7.108 1.823 432 HA GLN 62 HA GLN 62 -6.426 6.417 -1.033 433 1HB GLN 62 2HB GLN 62 -4.379 6.069 1.150 434 2HB GLN 62 1HB GLN 62 -4.134 6.172 -0.593 435 1HG GLN 62 2HG GLN 62 -3.470 8.301 0.020 436 2HG GLN 62 1HG GLN 62 -5.186 8.593 -0.254 437 1HE2 GLN 62 1HE2 GLN 62 -2.672 8.605 2.147 438 2HE2 GLN 62 2HE2 GLN 62 -3.654 8.999 3.474 439 H LYS 63 H LYS 63 -5.343 4.134 -1.049 440 HA LYS 63 HA LYS 63 -6.842 2.376 0.862 441 1HB LYS 63 2HB LYS 63 -6.051 1.629 -1.962 442 2HB LYS 63 1HB LYS 63 -7.183 0.795 -0.896 443 1HG LYS 63 2HG LYS 63 -8.682 2.762 -0.958 444 2HG LYS 63 1HG LYS 63 -7.563 3.572 -2.055 445 1HD LYS 63 2HD LYS 63 -7.960 2.006 -3.795 446 2HD LYS 63 1HD LYS 63 -8.727 0.859 -2.695 447 1HE LYS 63 2HE LYS 63 -9.888 3.610 -3.134 448 2HE LYS 63 1HE LYS 63 -10.273 2.272 -4.217 449 1HZ LYS 63 1HZ LYS 63 -11.913 2.321 -2.526 450 2HZ LYS 63 2HZ LYS 63 -10.748 2.419 -1.293 451 3HZ LYS 63 3HZ LYS 63 -10.913 0.990 -2.197 452 H ILE 64 H ILE 64 -5.431 1.412 2.219 453 HA ILE 64 HA ILE 64 -2.671 0.821 1.228 454 HB ILE 64 HB ILE 64 -3.791 1.331 3.988 455 1HG1 ILE 64 2HG1 ILE 64 -2.944 3.154 2.268 456 2HG1 ILE 64 1HG1 ILE 64 -2.489 3.264 3.967 457 1HG2 ILE 64 1HG2 ILE 64 -1.186 0.050 3.164 458 2HG2 ILE 64 2HG2 ILE 64 -2.335 -0.482 4.392 459 3HG2 ILE 64 3HG2 ILE 64 -1.329 0.938 4.681 460 1HD1 ILE 64 1HD1 ILE 64 -0.312 2.463 3.567 461 2HD1 ILE 64 2HD1 ILE 64 -0.616 3.514 2.183 462 3HD1 ILE 64 3HD1 ILE 64 -0.754 1.765 2.009 463 H LEU 65 H LEU 65 -2.092 -1.290 1.034 464 HA LEU 65 HA LEU 65 -3.985 -3.353 2.067 465 1HB LEU 65 2HB LEU 65 -3.297 -3.173 -0.432 466 2HB LEU 65 1HB LEU 65 -1.756 -3.850 0.092 467 HG LEU 65 HG LEU 65 -4.445 -5.127 0.670 468 1HD1 LEU 65 1HD1 LEU 65 -2.405 -5.747 -1.487 469 2HD1 LEU 65 2HD1 LEU 65 -4.029 -5.112 -1.742 470 3HD1 LEU 65 3HD1 LEU 65 -3.810 -6.743 -1.109 471 1HD2 LEU 65 1HD2 LEU 65 -2.757 -7.137 0.922 472 2HD2 LEU 65 2HD2 LEU 65 -2.948 -5.995 2.249 473 3HD2 LEU 65 3HD2 LEU 65 -1.565 -5.860 1.165 474 H ASN 66 H ASN 66 -3.329 -4.108 4.027 475 HA ASN 66 HA ASN 66 -0.506 -4.079 4.803 476 1HB ASN 66 2HB ASN 66 -3.014 -5.109 6.154 477 2HB ASN 66 1HB ASN 66 -1.410 -5.232 6.877 478 1HD2 ASN 66 1HD2 ASN 66 -3.683 -3.603 7.884 479 2HD2 ASN 66 2HD2 ASN 66 -3.145 -1.993 7.884 480 H LYS 67 H LYS 67 0.894 -5.777 4.594 481 HA LYS 67 HA LYS 67 -0.125 -8.254 3.339 482 1HB LYS 67 2HB LYS 67 2.335 -8.805 3.170 483 2HB LYS 67 1HB LYS 67 1.861 -7.331 2.330 484 1HG LYS 67 2HG LYS 67 2.649 -6.954 5.165 485 2HG LYS 67 1HG LYS 67 3.949 -7.472 4.092 486 1HD LYS 67 2HD LYS 67 3.575 -5.598 2.615 487 2HD LYS 67 1HD LYS 67 2.114 -5.137 3.488 488 1HE LYS 67 2HE LYS 67 3.869 -3.678 4.247 489 2HE LYS 67 1HE LYS 67 3.564 -4.831 5.547 490 1HZ LYS 67 1HZ LYS 67 5.533 -5.646 3.581 491 2HZ LYS 67 2HZ LYS 67 5.551 -5.805 5.272 492 3HZ LYS 67 3HZ LYS 67 5.981 -4.328 4.551 493 H LYS 68 H LYS 68 0.333 -7.147 6.450 494 HA LYS 68 HA LYS 68 1.605 -9.311 7.768 495 1HB LYS 68 2HB LYS 68 -0.497 -7.324 8.635 496 2HB LYS 68 1HB LYS 68 0.063 -8.587 9.729 497 1HG LYS 68 2HG LYS 68 1.492 -6.789 10.229 498 2HG LYS 68 1HG LYS 68 2.454 -7.752 9.111 499 1HD LYS 68 2HD LYS 68 1.795 -6.303 7.249 500 2HD LYS 68 1HD LYS 68 0.753 -5.369 8.321 501 1HE LYS 68 2HE LYS 68 2.848 -4.923 9.725 502 2HE LYS 68 1HE LYS 68 3.769 -5.560 8.362 503 1HZ LYS 68 1HZ LYS 68 2.817 -3.893 6.940 504 2HZ LYS 68 2HZ LYS 68 3.515 -3.134 8.291 505 3HZ LYS 68 3HZ LYS 68 1.829 -3.318 8.193 506 H THR 69 H THR 69 -1.860 -8.796 7.055 507 HA THR 69 HA THR 69 -2.233 -11.756 7.317 508 HB THR 69 HB THR 69 -4.558 -11.182 8.198 509 HG1 THR 69 1HG THR 69 -3.359 -8.684 8.017 510 1HG2 THR 69 1HG2 THR 69 -2.092 -10.452 9.797 511 2HG2 THR 69 2HG2 THR 69 -2.863 -12.035 9.700 512 3HG2 THR 69 3HG2 THR 69 -3.688 -10.701 10.507 513 H CYS 70 H CYS 70 -1.868 -9.844 4.988 514 HA CYS 70 HA CYS 70 -2.853 -9.447 2.888 515 1HB CYS 70 2HB CYS 70 -4.126 -12.097 3.640 516 2HB CYS 70 1HB CYS 70 -4.199 -11.384 2.028 517 H THR 71 H THR 71 -4.054 -7.592 3.806 518 HA THR 71 HA THR 71 -6.970 -8.001 3.523 519 HB THR 71 HB THR 71 -7.254 -8.066 5.781 520 HG1 THR 71 1HG THR 71 -7.743 -5.851 5.205 521 1HG2 THR 71 1HG2 THR 71 -5.420 -7.325 7.364 522 2HG2 THR 71 2HG2 THR 71 -4.440 -6.965 5.942 523 3HG2 THR 71 3HG2 THR 71 -4.966 -8.619 6.256 524 H TYR 72 H TYR 72 -8.096 -5.808 3.493 525 HA TYR 72 HA TYR 72 -6.263 -3.784 2.265 526 1HB TYR 72 2HB TYR 72 -8.781 -4.913 1.413 527 2HB TYR 72 1HB TYR 72 -8.975 -3.176 1.645 528 HD1 TYR 72 1HD TYR 72 -7.497 -5.790 -0.396 529 HD2 TYR 72 2HD TYR 72 -7.411 -1.584 0.470 530 HE1 TYR 72 1HE TYR 72 -6.302 -5.375 -2.530 531 HE2 TYR 72 2HE TYR 72 -6.215 -1.170 -1.663 532 HH TYR 72 HH TYR 72 -6.170 -2.952 -4.120 533 H THR 73 H THR 73 -6.588 -1.568 2.820 534 HA THR 73 HA THR 73 -8.446 -0.969 5.052 535 HB THR 73 HB THR 73 -6.705 -0.002 6.435 536 HG1 THR 73 1HG THR 73 -5.024 -0.741 4.279 537 1HG2 THR 73 1HG2 THR 73 -5.698 -2.696 5.500 538 2HG2 THR 73 2HG2 THR 73 -7.133 -2.502 6.506 539 3HG2 THR 73 3HG2 THR 73 -5.556 -1.994 7.111 540 H VAL 74 H VAL 74 -8.353 1.496 5.492 541 HA VAL 74 HA VAL 74 -7.588 3.012 3.039 542 HB VAL 74 HB VAL 74 -10.231 3.502 4.410 543 1HG1 VAL 74 1HG1 VAL 74 -9.052 5.118 2.754 544 2HG1 VAL 74 2HG1 VAL 74 -10.745 4.728 2.459 545 3HG1 VAL 74 3HG1 VAL 74 -9.482 3.936 1.519 546 1HG2 VAL 74 1HG2 VAL 74 -9.573 1.516 2.222 547 2HG2 VAL 74 2HG2 VAL 74 -11.199 2.151 2.466 548 3HG2 VAL 74 3HG2 VAL 74 -10.421 1.212 3.738 549 H VAL 75 H VAL 75 -6.341 4.685 3.668 550 HA VAL 75 HA VAL 75 -6.707 5.782 6.430 551 HB VAL 75 HB VAL 75 -4.363 6.695 6.038 552 1HG1 VAL 75 1HG1 VAL 75 -4.871 3.708 6.021 553 2HG1 VAL 75 2HG1 VAL 75 -4.651 4.745 7.431 554 3HG1 VAL 75 3HG1 VAL 75 -3.295 4.425 6.350 555 1HG2 VAL 75 1HG2 VAL 75 -4.571 6.411 3.511 556 2HG2 VAL 75 2HG2 VAL 75 -4.343 4.682 3.775 557 3HG2 VAL 75 3HG2 VAL 75 -3.068 5.818 4.218 558 H GLU 76 H GLU 76 -6.079 8.200 6.526 559 HA GLU 76 HA GLU 76 -7.351 9.587 4.199 560 1HB GLU 76 2HB GLU 76 -8.076 9.677 6.855 561 2HB GLU 76 1HB GLU 76 -7.040 11.097 6.721 562 1HG GLU 76 2HG GLU 76 -8.371 11.819 4.725 563 2HG GLU 76 1HG GLU 76 -9.461 10.460 5.008 564 H LYS 77 H LYS 77 -6.243 11.303 3.236 565 HA LYS 77 HA LYS 77 -3.399 11.341 3.410 566 1HB LYS 77 2HB LYS 77 -5.378 13.340 2.289 567 2HB LYS 77 1HB LYS 77 -3.634 13.546 2.145 568 1HG LYS 77 2HG LYS 77 -5.016 11.011 1.251 569 2HG LYS 77 1HG LYS 77 -4.840 12.399 0.179 570 1HD LYS 77 2HD LYS 77 -2.313 12.292 0.838 571 2HD LYS 77 1HD LYS 77 -2.690 10.653 1.366 572 1HE LYS 77 2HE LYS 77 -2.026 10.351 -0.869 573 2HE LYS 77 1HE LYS 77 -3.785 10.385 -0.977 574 1HZ LYS 77 1HZ LYS 77 -2.256 12.887 -1.219 575 2HZ LYS 77 2HZ LYS 77 -3.785 12.497 -1.847 576 3HZ LYS 77 3HZ LYS 77 -2.383 11.849 -2.556 577 H LYS 78 H LYS 78 -5.876 13.240 5.051 578 HA LYS 78 HA LYS 78 -3.831 14.964 6.319 579 1HB LYS 78 2HB LYS 78 -6.130 15.773 5.507 580 2HB LYS 78 1HB LYS 78 -6.794 14.925 6.904 581 1HG LYS 78 2HG LYS 78 -4.650 16.392 7.961 582 2HG LYS 78 1HG LYS 78 -5.383 17.488 6.793 583 1HD LYS 78 2HD LYS 78 -6.608 17.920 8.745 584 2HD LYS 78 1HD LYS 78 -7.641 16.776 7.891 585 1HE LYS 78 2HE LYS 78 -6.754 14.929 9.232 586 2HE LYS 78 1HE LYS 78 -5.639 16.028 10.044 587 1HZ LYS 78 1HZ LYS 78 -8.158 15.413 10.865 588 2HZ LYS 78 2HZ LYS 78 -8.351 16.936 10.139 589 3HZ LYS 78 3HZ LYS 78 -7.233 16.730 11.402 590 H ASP 79 H ASP 79 -4.898 11.907 6.853 591 HA ASP 79 HA ASP 79 -4.171 12.064 9.722 592 1HB ASP 79 2HB ASP 79 -6.740 12.267 9.377 593 2HB ASP 79 1HB ASP 79 -6.667 10.558 8.948 594 HA PRO 80 HA PRO 80 -2.556 8.385 7.318 595 1HB PRO 80 2HB PRO 80 -0.020 8.866 8.595 596 2HB PRO 80 1HB PRO 80 -0.434 9.030 6.888 597 1HG PRO 80 2HG PRO 80 0.123 11.124 8.737 598 2HG PRO 80 1HG PRO 80 -0.395 11.285 7.057 599 1HD PRO 80 2HD PRO 80 -1.932 11.783 9.479 600 2HD PRO 80 1HD PRO 80 -2.397 12.098 7.789 601 H GLY 81 H GLY 81 -3.832 8.729 10.100 602 1HA GLY 81 2HA GLY 81 -2.570 6.306 11.315 603 2HA GLY 81 1HA GLY 81 -2.984 7.693 12.321 604 H LYS 82 H LYS 82 -5.451 8.398 11.138 605 HA LYS 82 HA LYS 82 -7.142 6.253 12.247 606 1HB LYS 82 2HB LYS 82 -7.874 8.971 11.111 607 2HB LYS 82 1HB LYS 82 -8.978 7.880 11.949 608 1HG LYS 82 2HG LYS 82 -7.416 7.970 13.936 609 2HG LYS 82 1HG LYS 82 -6.532 9.247 13.100 610 1HD LYS 82 2HD LYS 82 -8.831 10.421 12.883 611 2HD LYS 82 1HD LYS 82 -9.370 9.293 14.126 612 1HE LYS 82 2HE LYS 82 -7.271 11.446 14.319 613 2HE LYS 82 1HE LYS 82 -8.652 11.151 15.377 614 1HZ LYS 82 1HZ LYS 82 -6.477 9.173 15.095 615 2HZ LYS 82 2HZ LYS 82 -7.621 9.321 16.343 616 3HZ LYS 82 3HZ LYS 82 -6.363 10.454 16.200 617 H THR 83 H THR 83 -8.874 5.269 11.022 618 HA THR 83 HA THR 83 -8.151 4.818 8.215 619 HB THR 83 HB THR 83 -9.957 3.150 8.254 620 HG1 THR 83 1HG THR 83 -10.433 3.722 10.946 621 1HG2 THR 83 1HG2 THR 83 -7.835 2.419 9.144 622 2HG2 THR 83 2HG2 THR 83 -9.106 1.772 10.181 623 3HG2 THR 83 3HG2 THR 83 -8.173 3.176 10.700 624 H CYS 84 H CYS 84 -9.468 5.352 6.421 625 HA CYS 84 HA CYS 84 -11.124 7.739 6.795 626 1HB CYS 84 2HB CYS 84 -9.653 7.584 4.843 627 2HB CYS 84 1HB CYS 84 -10.472 6.114 4.318 628 H ASP 85 H ASP 85 -13.303 7.748 5.522 629 HA ASP 85 HA ASP 85 -15.136 6.019 6.786 630 1HB ASP 85 2HB ASP 85 -15.308 7.635 4.238 631 2HB ASP 85 1HB ASP 85 -16.677 6.696 4.837 632 H VAL 86 H VAL 86 -16.060 4.048 6.212 633 HA VAL 86 HA VAL 86 -15.052 2.742 3.715 634 HB VAL 86 HB VAL 86 -15.462 1.254 6.310 635 1HG1 VAL 86 1HG1 VAL 86 -13.888 -0.339 5.160 636 2HG1 VAL 86 2HG1 VAL 86 -13.984 0.684 3.727 637 3HG1 VAL 86 3HG1 VAL 86 -15.427 -0.133 4.325 638 1HG2 VAL 86 1HG2 VAL 86 -12.926 2.531 5.242 639 2HG2 VAL 86 2HG2 VAL 86 -12.974 1.365 6.564 640 3HG2 VAL 86 3HG2 VAL 86 -13.751 2.938 6.746 641 H THR 87 H THR 87 -16.472 0.857 3.086 642 HA THR 87 HA THR 87 -19.251 1.072 4.127 643 HB THR 87 HB THR 87 -18.605 1.098 1.170 644 HG1 THR 87 1HG THR 87 -18.231 3.042 2.753 645 1HG2 THR 87 1HG2 THR 87 -20.783 0.124 1.802 646 2HG2 THR 87 2HG2 THR 87 -20.994 1.661 0.963 647 3HG2 THR 87 3HG2 THR 87 -21.167 1.583 2.716 648 H GLY 88 H GLY 88 -17.029 -0.649 1.944 649 1HA GLY 88 2HA GLY 88 -17.527 -3.203 3.085 650 2HA GLY 88 1HA GLY 88 -18.588 -3.021 1.687 651 H TRP 89 H TRP 89 -16.943 -4.985 1.261 652 HA TRP 89 HA TRP 89 -14.665 -3.858 -0.332 653 1HB TRP 89 2HB TRP 89 -14.698 -6.685 0.704 654 2HB TRP 89 1HB TRP 89 -13.317 -5.680 0.263 655 HD1 TRP 89 HD TRP 89 -13.211 -3.312 1.916 656 HE1 TRP 89 1HE TRP 89 -13.325 -3.278 4.492 657 HE3 TRP 89 3HE TRP 89 -15.425 -7.836 2.763 658 HZ2 TRP 89 2HZ TRP 89 -14.235 -4.950 6.628 659 HZ3 TRP 89 3HZ TRP 89 -15.902 -8.590 5.074 660 HH2 TRP 89 HH TRP 89 -15.311 -7.154 7.007 661 H VAL 90 H VAL 90 -14.138 -5.159 -2.281 662 HA VAL 90 HA VAL 90 -16.336 -6.905 -3.258 663 HB VAL 90 HB VAL 90 -15.349 -4.406 -4.654 664 1HG1 VAL 90 1HG1 VAL 90 -16.940 -6.769 -5.662 665 2HG1 VAL 90 2HG1 VAL 90 -15.501 -6.040 -6.376 666 3HG1 VAL 90 3HG1 VAL 90 -17.042 -5.183 -6.428 667 1HG2 VAL 90 1HG2 VAL 90 -17.812 -3.899 -4.657 668 2HG2 VAL 90 2HG2 VAL 90 -17.112 -3.977 -3.040 669 3HG2 VAL 90 3HG2 VAL 90 -18.059 -5.331 -3.657 670 H LEU 91 H LEU 91 -15.450 -8.673 -4.220 671 HA LEU 91 HA LEU 91 -12.626 -9.014 -4.465 672 1HB LEU 91 2HB LEU 91 -14.515 -10.804 -4.334 673 2HB LEU 91 1HB LEU 91 -14.618 -10.602 -6.083 674 HG LEU 91 HG LEU 91 -11.978 -10.897 -5.940 675 1HD1 LEU 91 1HD1 LEU 91 -11.229 -12.275 -4.148 676 2HD1 LEU 91 2HD1 LEU 91 -12.874 -12.588 -3.598 677 3HD1 LEU 91 3HD1 LEU 91 -12.162 -10.990 -3.383 678 1HD2 LEU 91 1HD2 LEU 91 -12.375 -13.418 -6.118 679 2HD2 LEU 91 2HD2 LEU 91 -13.308 -12.413 -7.228 680 3HD2 LEU 91 3HD2 LEU 91 -14.073 -13.078 -5.784 Start of MODEL 6 1 1H GLN 1 1HT GLN 1 -4.432 -5.950 -13.052 2 2H GLN 1 2HT GLN 1 -4.556 -5.262 -11.503 3 3H GLN 1 3HT GLN 1 -3.103 -5.991 -11.999 4 HA GLN 1 HA GLN 1 -2.939 -4.287 -13.789 5 1HB GLN 1 2HB GLN 1 -5.096 -2.945 -12.132 6 2HB GLN 1 1HB GLN 1 -4.330 -2.308 -13.588 7 1HG GLN 1 2HG GLN 1 -5.193 -4.421 -14.769 8 2HG GLN 1 1HG GLN 1 -6.211 -4.660 -13.348 9 1HE2 GLN 1 1HE2 GLN 1 -5.607 -2.485 -16.098 10 2HE2 GLN 1 2HE2 GLN 1 -7.077 -1.645 -15.975 11 H CYS 2 H CYS 2 -0.899 -4.080 -12.866 12 HA CYS 2 HA CYS 2 -0.591 -3.067 -10.129 13 1HB CYS 2 2HB CYS 2 0.963 -4.756 -11.208 14 2HB CYS 2 1HB CYS 2 1.560 -3.447 -12.229 15 H TYR 3 H TYR 3 0.747 -1.093 -9.714 16 HA TYR 3 HA TYR 3 0.834 0.883 -11.912 17 1HB TYR 3 2HB TYR 3 -0.474 2.545 -10.705 18 2HB TYR 3 1HB TYR 3 -1.447 1.087 -10.900 19 HD1 TYR 3 1HD TYR 3 -2.073 -0.273 -9.010 20 HD2 TYR 3 2HD TYR 3 0.572 3.073 -8.516 21 HE1 TYR 3 1HE TYR 3 -2.331 -0.433 -6.548 22 HE2 TYR 3 2HE TYR 3 0.314 2.914 -6.054 23 HH TYR 3 HH TYR 3 -1.710 1.879 -4.484 24 H PHE 4 H PHE 4 2.541 2.285 -11.637 25 HA PHE 4 HA PHE 4 4.045 2.079 -9.057 26 1HB PHE 4 2HB PHE 4 6.039 2.649 -10.327 27 2HB PHE 4 1HB PHE 4 5.228 1.301 -11.125 28 HD1 PHE 4 1HD PHE 4 6.164 4.829 -11.354 29 HD2 PHE 4 2HD PHE 4 3.902 1.673 -13.190 30 HE1 PHE 4 1HE PHE 4 5.978 6.171 -13.432 31 HE2 PHE 4 2HE PHE 4 3.717 3.014 -15.269 32 HZ PHE 4 HZ PHE 4 4.756 5.263 -15.389 33 H ILE 5 H ILE 5 4.315 3.916 -7.870 34 HA ILE 5 HA ILE 5 3.331 6.473 -9.063 35 HB ILE 5 HB ILE 5 3.666 5.814 -6.132 36 1HG1 ILE 5 2HG1 ILE 5 2.047 4.252 -7.047 37 2HG1 ILE 5 1HG1 ILE 5 1.170 5.503 -6.168 38 1HG2 ILE 5 1HG2 ILE 5 2.032 7.934 -7.556 39 2HG2 ILE 5 2HG2 ILE 5 3.588 8.219 -6.772 40 3HG2 ILE 5 3HG2 ILE 5 2.190 7.735 -5.811 41 1HD1 ILE 5 1HD1 ILE 5 -0.027 5.320 -8.189 42 2HD1 ILE 5 2HD1 ILE 5 1.441 5.140 -9.149 43 3HD1 ILE 5 3HD1 ILE 5 1.021 6.710 -8.467 44 HA PRO 6 HA PRO 6 7.630 7.758 -8.962 45 1HB PRO 6 2HB PRO 6 6.870 10.532 -8.790 46 2HB PRO 6 1HB PRO 6 7.451 9.643 -10.200 47 1HG PRO 6 2HG PRO 6 4.781 10.571 -9.664 48 2HG PRO 6 1HG PRO 6 5.378 9.726 -11.096 49 1HD PRO 6 2HD PRO 6 3.647 8.692 -9.054 50 2HD PRO 6 1HD PRO 6 4.322 7.815 -10.452 51 H ASN 7 H ASN 7 9.024 8.062 -7.239 52 HA ASN 7 HA ASN 7 8.215 8.110 -4.572 53 1HB ASN 7 2HB ASN 7 10.736 9.201 -5.847 54 2HB ASN 7 1HB ASN 7 10.514 9.098 -4.100 55 1HD2 ASN 7 1HD2 ASN 7 10.337 6.929 -3.137 56 2HD2 ASN 7 2HD2 ASN 7 10.859 5.555 -3.988 57 H GLN 8 H GLN 8 8.258 9.859 -2.962 58 HA GLN 8 HA GLN 8 7.892 12.599 -4.077 59 1HB GLN 8 2HB GLN 8 6.002 11.486 -1.999 60 2HB GLN 8 1HB GLN 8 5.815 12.935 -2.986 61 1HG GLN 8 2HG GLN 8 4.396 11.378 -4.041 62 2HG GLN 8 1HG GLN 8 5.868 11.306 -5.010 63 1HE2 GLN 8 1HE2 GLN 8 4.397 9.049 -5.223 64 2HE2 GLN 8 2HE2 GLN 8 5.027 7.785 -4.282 65 H SER 9 H SER 9 9.593 10.727 -2.063 66 HA SER 9 HA SER 9 9.524 11.958 0.481 67 1HB SER 9 2HB SER 9 10.847 9.993 0.258 68 2HB SER 9 1HB SER 9 11.762 10.667 -1.088 69 HG SER 9 HG SER 9 12.945 10.777 0.852 70 H LEU 10 H LEU 10 11.279 13.461 1.347 71 HA LEU 10 HA LEU 10 11.482 15.786 -0.465 72 1HB LEU 10 2HB LEU 10 12.527 16.790 1.720 73 2HB LEU 10 1HB LEU 10 10.790 16.490 1.655 74 HG LEU 10 HG LEU 10 12.493 14.219 2.561 75 1HD1 LEU 10 1HD1 LEU 10 12.504 15.151 4.896 76 2HD1 LEU 10 2HD1 LEU 10 11.996 16.703 4.229 77 3HD1 LEU 10 3HD1 LEU 10 13.561 16.022 3.784 78 1HD2 LEU 10 1HD2 LEU 10 9.976 15.367 3.785 79 2HD2 LEU 10 2HD2 LEU 10 10.584 13.715 3.893 80 3HD2 LEU 10 3HD2 LEU 10 9.926 14.314 2.371 81 H LYS 11 H LYS 11 13.462 13.240 0.802 82 HA LYS 11 HA LYS 11 15.812 14.453 -0.577 83 1HB LYS 11 2HB LYS 11 15.680 13.341 2.228 84 2HB LYS 11 1HB LYS 11 17.200 13.400 1.336 85 1HG LYS 11 2HG LYS 11 17.030 15.804 1.083 86 2HG LYS 11 1HG LYS 11 15.411 15.805 1.784 87 1HD LYS 11 2HD LYS 11 16.247 15.163 3.938 88 2HD LYS 11 1HD LYS 11 17.846 14.810 3.282 89 1HE LYS 11 2HE LYS 11 18.309 17.113 2.891 90 2HE LYS 11 1HE LYS 11 16.620 17.568 3.120 91 1HZ LYS 11 1HZ LYS 11 17.774 18.122 5.094 92 2HZ LYS 11 2HZ LYS 11 18.528 16.601 5.175 93 3HZ LYS 11 3HZ LYS 11 16.856 16.741 5.448 94 HA PRO 12 HA PRO 12 16.117 10.498 -2.549 95 1HB PRO 12 2HB PRO 12 18.979 10.317 -2.267 96 2HB PRO 12 1HB PRO 12 18.048 10.781 -3.694 97 1HG PRO 12 2HG PRO 12 19.599 12.471 -1.932 98 2HG PRO 12 1HG PRO 12 18.783 12.904 -3.438 99 1HD PRO 12 2HD PRO 12 18.019 13.676 -0.807 100 2HD PRO 12 1HD PRO 12 17.081 13.911 -2.301 101 H ASN 13 H ASN 13 17.729 8.367 -2.139 102 HA ASN 13 HA ASN 13 17.954 6.501 -0.739 103 1HB ASN 13 2HB ASN 13 18.776 8.793 1.051 104 2HB ASN 13 1HB ASN 13 18.836 7.118 1.601 105 1HD2 ASN 13 1HD2 ASN 13 19.705 8.735 -1.515 106 2HD2 ASN 13 2HD2 ASN 13 21.257 8.053 -1.600 107 H GLU 14 H GLU 14 15.305 7.488 -1.004 108 HA GLU 14 HA GLU 14 14.185 6.515 1.564 109 1HB GLU 14 2HB GLU 14 13.620 9.181 0.278 110 2HB GLU 14 1HB GLU 14 12.393 8.384 1.267 111 1HG GLU 14 2HG GLU 14 13.997 8.226 3.130 112 2HG GLU 14 1HG GLU 14 15.212 9.044 2.147 113 H CYS 15 H CYS 15 11.882 5.918 1.326 114 HA CYS 15 HA CYS 15 10.834 5.625 -1.404 115 1HB CYS 15 2HB CYS 15 12.310 3.688 -1.302 116 2HB CYS 15 1HB CYS 15 11.643 3.222 0.263 117 H GLN 16 H GLN 16 9.427 7.088 0.074 118 HA GLN 16 HA GLN 16 7.628 5.489 1.827 119 1HB GLN 16 2HB GLN 16 6.844 7.618 2.679 120 2HB GLN 16 1HB GLN 16 8.607 7.652 2.659 121 1HG GLN 16 2HG GLN 16 8.461 8.771 0.388 122 2HG GLN 16 1HG GLN 16 6.725 8.931 0.662 123 1HE2 GLN 16 1HE2 GLN 16 6.174 10.921 1.546 124 2HE2 GLN 16 2HE2 GLN 16 7.162 11.842 2.575 125 H ASP 17 H ASP 17 5.238 6.195 1.646 126 HA ASP 17 HA ASP 17 4.424 6.920 -1.105 127 1HB ASP 17 2HB ASP 17 4.687 4.282 -0.599 128 2HB ASP 17 1HB ASP 17 3.060 4.522 0.034 129 H LEU 18 H LEU 18 2.552 8.124 -1.046 130 HA LEU 18 HA LEU 18 0.790 9.344 -0.080 131 1HB LEU 18 2HB LEU 18 0.389 6.913 1.677 132 2HB LEU 18 1HB LEU 18 -0.827 8.063 1.125 133 HG LEU 18 HG LEU 18 0.662 6.018 -0.538 134 1HD1 LEU 18 1HD1 LEU 18 -2.312 6.489 -0.249 135 2HD1 LEU 18 2HD1 LEU 18 -1.421 5.403 0.815 136 3HD1 LEU 18 3HD1 LEU 18 -1.498 5.074 -0.917 137 1HD2 LEU 18 1HD2 LEU 18 0.601 7.945 -1.933 138 2HD2 LEU 18 2HD2 LEU 18 -0.998 8.411 -1.355 139 3HD2 LEU 18 3HD2 LEU 18 -0.815 7.008 -2.407 140 H LYS 19 H LYS 19 -0.036 8.781 2.793 141 HA LYS 19 HA LYS 19 2.254 10.209 4.096 142 1HB LYS 19 2HB LYS 19 -0.100 11.344 3.762 143 2HB LYS 19 1HB LYS 19 -0.569 10.339 5.129 144 1HG LYS 19 2HG LYS 19 0.173 12.254 6.233 145 2HG LYS 19 1HG LYS 19 1.645 11.290 6.212 146 1HD LYS 19 2HD LYS 19 2.207 13.535 5.496 147 2HD LYS 19 1HD LYS 19 2.320 12.471 4.098 148 1HE LYS 19 2HE LYS 19 0.514 13.429 3.052 149 2HE LYS 19 1HE LYS 19 -0.332 13.742 4.569 150 1HZ LYS 19 1HZ LYS 19 1.107 15.547 3.062 151 2HZ LYS 19 2HZ LYS 19 2.066 15.244 4.431 152 3HZ LYS 19 3HZ LYS 19 0.468 15.790 4.614 153 H GLY 20 H GLY 20 0.868 7.249 3.916 154 1HA GLY 20 2HA GLY 20 1.090 6.680 6.839 155 2HA GLY 20 1HA GLY 20 0.287 5.644 5.661 156 H VAL 21 H VAL 21 2.237 5.474 3.671 157 HA VAL 21 HA VAL 21 4.069 3.576 4.892 158 HB VAL 21 HB VAL 21 4.241 4.641 2.072 159 1HG1 VAL 21 1HG1 VAL 21 5.048 2.340 1.634 160 2HG1 VAL 21 2HG1 VAL 21 4.864 1.959 3.346 161 3HG1 VAL 21 3HG1 VAL 21 6.051 3.158 2.832 162 1HG2 VAL 21 1HG2 VAL 21 2.685 2.688 1.544 163 2HG2 VAL 21 2HG2 VAL 21 1.927 4.069 2.335 164 3HG2 VAL 21 3HG2 VAL 21 2.323 2.627 3.269 165 H SER 22 H SER 22 6.346 3.761 5.053 166 HA SER 22 HA SER 22 7.830 6.049 4.142 167 1HB SER 22 2HB SER 22 6.523 7.175 5.926 168 2HB SER 22 1HB SER 22 7.136 6.009 7.096 169 HG SER 22 HG SER 22 9.046 6.949 7.047 170 H HIS 23 H HIS 23 9.523 4.677 3.611 171 HA HIS 23 HA HIS 23 11.030 3.519 5.870 172 1HB HIS 23 2HB HIS 23 9.799 1.905 3.636 173 2HB HIS 23 1HB HIS 23 11.241 1.339 4.476 174 HD1 HIS 23 1HD HIS 23 7.572 1.830 4.899 175 HD2 HIS 23 2HD HIS 23 10.821 0.722 7.266 176 HE1 HIS 23 1HE HIS 23 6.608 0.876 7.038 177 HA PRO 24 HA PRO 24 14.478 4.957 3.489 178 1HB PRO 24 2HB PRO 24 16.084 2.609 3.940 179 2HB PRO 24 1HB PRO 24 16.186 4.175 4.750 180 1HG PRO 24 2HG PRO 24 15.136 1.682 5.779 181 2HG PRO 24 1HG PRO 24 15.372 3.213 6.629 182 1HD PRO 24 2HD PRO 24 12.885 2.048 5.888 183 2HD PRO 24 1HD PRO 24 13.142 3.689 6.528 184 H LEU 25 H LEU 25 15.907 4.284 1.594 185 HA LEU 25 HA LEU 25 14.321 2.908 -0.386 186 1HB LEU 25 2HB LEU 25 16.480 4.710 -0.404 187 2HB LEU 25 1HB LEU 25 17.123 3.238 -1.127 188 HG LEU 25 HG LEU 25 14.504 4.497 -1.989 189 1HD1 LEU 25 1HD1 LEU 25 17.322 4.886 -3.017 190 2HD1 LEU 25 2HD1 LEU 25 16.176 6.125 -2.504 191 3HD1 LEU 25 3HD1 LEU 25 15.898 5.229 -3.998 192 1HD2 LEU 25 1HD2 LEU 25 14.904 3.087 -4.005 193 2HD2 LEU 25 2HD2 LEU 25 14.758 2.119 -2.539 194 3HD2 LEU 25 3HD2 LEU 25 16.349 2.431 -3.235 195 H ASN 26 H ASN 26 16.214 1.408 -1.809 196 HA ASN 26 HA ASN 26 16.887 -0.846 -1.899 197 1HB ASN 26 2HB ASN 26 18.827 0.345 -0.787 198 2HB ASN 26 1HB ASN 26 18.163 -0.170 0.764 199 1HD2 ASN 26 1HD2 ASN 26 19.739 -1.315 -2.192 200 2HD2 ASN 26 2HD2 ASN 26 20.052 -2.885 -1.628 201 H SER 27 H SER 27 14.292 -0.381 -0.667 202 HA SER 27 HA SER 27 14.239 -2.662 1.279 203 1HB SER 27 2HB SER 27 12.571 -0.142 1.163 204 2HB SER 27 1HB SER 27 12.094 -1.552 2.105 205 HG SER 27 HG SER 27 14.643 -0.336 2.325 206 H VAL 28 H VAL 28 13.713 -4.319 -0.138 207 HA VAL 28 HA VAL 28 11.301 -3.938 -1.867 208 HB VAL 28 HB VAL 28 12.268 -6.178 -2.846 209 1HG1 VAL 28 1HG1 VAL 28 12.188 -4.067 -4.088 210 2HG1 VAL 28 2HG1 VAL 28 13.739 -4.862 -4.358 211 3HG1 VAL 28 3HG1 VAL 28 13.628 -3.499 -3.246 212 1HG2 VAL 28 1HG2 VAL 28 13.945 -6.345 -0.949 213 2HG2 VAL 28 2HG2 VAL 28 14.776 -4.964 -1.664 214 3HG2 VAL 28 3HG2 VAL 28 14.639 -6.475 -2.564 215 H TRP 29 H TRP 29 9.480 -4.926 -1.129 216 HA TRP 29 HA TRP 29 9.738 -7.463 0.405 217 1HB TRP 29 2HB TRP 29 8.200 -6.677 2.132 218 2HB TRP 29 1HB TRP 29 9.588 -5.592 2.051 219 HD1 TRP 29 HD TRP 29 5.870 -5.783 1.256 220 HE1 TRP 29 1HE TRP 29 4.994 -3.406 0.776 221 HE3 TRP 29 3HE TRP 29 10.283 -3.210 1.193 222 HZ2 TRP 29 2HZ TRP 29 6.028 -0.764 0.411 223 HZ3 TRP 29 3HZ TRP 29 10.307 -0.767 0.778 224 HH2 TRP 29 HH TRP 29 8.187 0.458 0.388 225 H LYS 30 H LYS 30 8.271 -8.927 -0.319 226 HA LYS 30 HA LYS 30 5.740 -7.950 -1.550 227 1HB LYS 30 2HB LYS 30 7.555 -10.022 -2.821 228 2HB LYS 30 1HB LYS 30 6.020 -9.440 -3.464 229 1HG LYS 30 2HG LYS 30 6.955 -7.157 -3.631 230 2HG LYS 30 1HG LYS 30 8.496 -7.747 -3.008 231 1HD LYS 30 2HD LYS 30 7.292 -9.095 -5.407 232 2HD LYS 30 1HD LYS 30 8.109 -7.547 -5.617 233 1HE LYS 30 2HE LYS 30 10.148 -8.434 -4.627 234 2HE LYS 30 1HE LYS 30 9.344 -9.959 -4.258 235 1HZ LYS 30 1HZ LYS 30 9.210 -9.095 -7.024 236 2HZ LYS 30 2HZ LYS 30 9.466 -10.645 -6.378 237 3HZ LYS 30 3HZ LYS 30 10.751 -9.539 -6.473 238 H THR 31 H THR 31 4.017 -9.182 -0.912 239 HA THR 31 HA THR 31 4.441 -11.311 1.015 240 HB THR 31 HB THR 31 2.085 -11.340 1.254 241 HG1 THR 31 1HG THR 31 2.120 -10.365 -1.391 242 1HG2 THR 31 1HG2 THR 31 3.426 -9.006 1.473 243 2HG2 THR 31 2HG2 THR 31 1.704 -9.148 1.823 244 3HG2 THR 31 3HG2 THR 31 2.237 -8.542 0.256 245 H LYS 32 H LYS 32 2.839 -13.359 0.537 246 HA LYS 32 HA LYS 32 4.120 -14.723 -1.705 247 1HB LYS 32 2HB LYS 32 3.602 -15.846 0.478 248 2HB LYS 32 1HB LYS 32 1.886 -15.710 0.092 249 1HG LYS 32 2HG LYS 32 2.094 -17.144 -1.802 250 2HG LYS 32 1HG LYS 32 3.854 -17.043 -1.777 251 1HD LYS 32 2HD LYS 32 3.813 -18.163 0.480 252 2HD LYS 32 1HD LYS 32 2.079 -18.409 0.264 253 1HE LYS 32 2HE LYS 32 4.358 -19.607 -1.301 254 2HE LYS 32 1HE LYS 32 3.003 -20.426 -0.524 255 1HZ LYS 32 1HZ LYS 32 2.719 -18.572 -2.823 256 2HZ LYS 32 2HZ LYS 32 1.514 -19.560 -2.146 257 3HZ LYS 32 3HZ LYS 32 2.821 -20.258 -2.978 258 H ASP 33 H ASP 33 1.029 -13.192 -1.078 259 HA ASP 33 HA ASP 33 0.373 -13.199 -3.890 260 1HB ASP 33 2HB ASP 33 -1.549 -14.662 -3.876 261 2HB ASP 33 1HB ASP 33 -0.178 -15.574 -3.244 262 H CYS 34 H CYS 34 0.458 -11.507 -1.344 263 HA CYS 34 HA CYS 34 -2.361 -10.534 -1.323 264 1HB CYS 34 2HB CYS 34 -0.110 -9.653 0.491 265 2HB CYS 34 1HB CYS 34 -1.840 -9.413 0.727 266 H GLU 35 H GLU 35 0.934 -9.141 -1.340 267 HA GLU 35 HA GLU 35 0.165 -7.317 -3.509 268 1HB GLU 35 2HB GLU 35 -0.708 -6.006 -1.716 269 2HB GLU 35 1HB GLU 35 0.683 -6.350 -0.690 270 1HG GLU 35 2HG GLU 35 2.114 -4.957 -1.962 271 2HG GLU 35 1HG GLU 35 0.999 -4.916 -3.328 272 H GLU 36 H GLU 36 1.971 -6.574 -4.619 273 HA GLU 36 HA GLU 36 4.637 -7.423 -3.539 274 1HB GLU 36 2HB GLU 36 3.932 -6.998 -6.454 275 2HB GLU 36 1HB GLU 36 5.355 -7.804 -5.793 276 1HG GLU 36 2HG GLU 36 3.868 -9.552 -4.816 277 2HG GLU 36 1HG GLU 36 2.489 -8.773 -5.593 278 H CYS 37 H CYS 37 5.309 -5.495 -2.587 279 HA CYS 37 HA CYS 37 5.254 -3.051 -4.302 280 1HB CYS 37 2HB CYS 37 5.074 -3.489 -1.348 281 2HB CYS 37 1HB CYS 37 5.804 -1.992 -1.933 282 H THR 38 H THR 38 7.154 -2.263 -5.006 283 HA THR 38 HA THR 38 9.673 -3.136 -3.639 284 HB THR 38 HB THR 38 10.739 -3.389 -5.792 285 HG1 THR 38 1HG THR 38 9.871 -1.876 -7.060 286 1HG2 THR 38 1HG2 THR 38 9.263 -5.260 -4.938 287 2HG2 THR 38 2HG2 THR 38 9.536 -5.272 -6.680 288 3HG2 THR 38 3HG2 THR 38 8.009 -4.672 -6.031 289 H CYS 39 H CYS 39 11.482 -1.576 -4.040 290 HA CYS 39 HA CYS 39 10.418 1.207 -4.360 291 1HB CYS 39 2HB CYS 39 12.765 0.137 -2.773 292 2HB CYS 39 1HB CYS 39 12.457 1.856 -3.022 293 H GLY 40 H GLY 40 10.791 1.637 -6.523 294 1HA GLY 40 2HA GLY 40 13.192 0.751 -7.896 295 2HA GLY 40 1HA GLY 40 11.999 1.885 -8.532 296 H GLN 41 H GLN 41 15.050 1.958 -8.344 297 HA GLN 41 HA GLN 41 15.833 3.961 -6.485 298 1HB GLN 41 2HB GLN 41 17.306 2.456 -7.989 299 2HB GLN 41 1HB GLN 41 17.051 3.681 -9.232 300 1HG GLN 41 2HG GLN 41 19.041 4.380 -8.180 301 2HG GLN 41 1HG GLN 41 17.805 5.378 -7.417 302 1HE2 GLN 41 1HE2 GLN 41 20.335 3.161 -6.777 303 2HE2 GLN 41 2HE2 GLN 41 19.975 2.863 -5.145 304 H ASP 42 H ASP 42 13.741 4.188 -9.120 305 HA ASP 42 HA ASP 42 14.064 7.167 -9.158 306 1HB ASP 42 2HB ASP 42 13.263 7.037 -11.559 307 2HB ASP 42 1HB ASP 42 14.877 6.381 -11.282 308 H ALA 43 H ALA 43 12.002 4.441 -8.793 309 HA ALA 43 HA ALA 43 9.759 6.192 -8.118 310 1HB ALA 43 1HB ALA 43 9.691 5.843 -10.667 311 2HB ALA 43 2HB ALA 43 8.220 5.456 -9.774 312 3HB ALA 43 3HB ALA 43 9.294 4.163 -10.309 313 H ILE 44 H ILE 44 7.747 4.587 -7.703 314 HA ILE 44 HA ILE 44 8.848 2.186 -6.282 315 HB ILE 44 HB ILE 44 6.391 3.740 -5.446 316 1HG1 ILE 44 2HG1 ILE 44 9.256 4.052 -4.488 317 2HG1 ILE 44 1HG1 ILE 44 8.326 5.260 -5.376 318 1HG2 ILE 44 1HG2 ILE 44 6.613 2.525 -3.401 319 2HG2 ILE 44 2HG2 ILE 44 8.232 1.971 -3.824 320 3HG2 ILE 44 3HG2 ILE 44 6.830 1.338 -4.686 321 1HD1 ILE 44 1HD1 ILE 44 6.620 5.154 -3.487 322 2HD1 ILE 44 2HD1 ILE 44 8.175 5.870 -3.065 323 3HD1 ILE 44 3HD1 ILE 44 7.808 4.214 -2.584 324 H SER 45 H SER 45 7.857 0.264 -6.742 325 HA SER 45 HA SER 45 5.485 0.356 -8.566 326 1HB SER 45 2HB SER 45 6.486 -1.273 -9.787 327 2HB SER 45 1HB SER 45 7.943 -0.944 -8.854 328 HG SER 45 HG SER 45 6.948 -2.448 -7.266 329 H CYS 46 H CYS 46 3.596 -0.543 -7.836 330 HA CYS 46 HA CYS 46 3.698 -2.483 -5.590 331 1HB CYS 46 2HB CYS 46 2.441 0.240 -5.514 332 2HB CYS 46 1HB CYS 46 1.675 -1.082 -4.631 333 H CYS 47 H CYS 47 2.422 -4.152 -6.105 334 HA CYS 47 HA CYS 47 0.096 -3.667 -7.935 335 1HB CYS 47 2HB CYS 47 1.453 -6.341 -7.663 336 2HB CYS 47 1HB CYS 47 0.515 -5.705 -9.014 337 H ASN 48 H ASN 48 -1.866 -4.203 -7.084 338 HA ASN 48 HA ASN 48 -1.886 -5.763 -4.528 339 1HB ASN 48 2HB ASN 48 -4.023 -4.649 -4.064 340 2HB ASN 48 1HB ASN 48 -2.770 -3.450 -4.388 341 1HD2 ASN 48 1HD2 ASN 48 -3.022 -2.102 -6.243 342 2HD2 ASN 48 2HD2 ASN 48 -4.359 -2.196 -7.285 343 H THR 49 H THR 49 -3.245 -7.546 -4.347 344 HA THR 49 HA THR 49 -4.786 -8.322 -6.796 345 HB THR 49 HB THR 49 -3.052 -10.056 -5.011 346 HG1 THR 49 1HG THR 49 -1.805 -10.205 -6.755 347 1HG2 THR 49 1HG2 THR 49 -3.801 -11.870 -6.647 348 2HG2 THR 49 2HG2 THR 49 -5.093 -10.768 -7.122 349 3HG2 THR 49 3HG2 THR 49 -4.999 -11.355 -5.461 350 H ALA 50 H ALA 50 -4.691 -7.944 -3.371 351 HA ALA 50 HA ALA 50 -6.806 -9.732 -2.633 352 1HB ALA 50 1HB ALA 50 -5.170 -8.441 -1.106 353 2HB ALA 50 2HB ALA 50 -6.838 -8.592 -0.557 354 3HB ALA 50 3HB ALA 50 -6.282 -7.083 -1.280 355 H ALA 51 H ALA 51 -8.985 -8.831 -1.797 356 HA ALA 51 HA ALA 51 -10.585 -7.927 -3.876 357 1HB ALA 51 1HB ALA 51 -11.009 -7.146 -0.978 358 2HB ALA 51 2HB ALA 51 -11.376 -8.746 -1.623 359 3HB ALA 51 3HB ALA 51 -12.245 -7.333 -2.222 360 H ILE 52 H ILE 52 -11.749 -5.725 -3.961 361 HA ILE 52 HA ILE 52 -9.723 -3.550 -3.642 362 HB ILE 52 HB ILE 52 -10.323 -4.142 -5.997 363 1HG1 ILE 52 2HG1 ILE 52 -11.174 -1.739 -6.586 364 2HG1 ILE 52 1HG1 ILE 52 -11.019 -1.433 -4.859 365 1HG2 ILE 52 1HG2 ILE 52 -13.055 -3.010 -5.397 366 2HG2 ILE 52 2HG2 ILE 52 -12.733 -4.738 -5.271 367 3HG2 ILE 52 3HG2 ILE 52 -12.528 -3.914 -6.816 368 1HD1 ILE 52 1HD1 ILE 52 -8.924 -1.769 -6.907 369 2HD1 ILE 52 2HD1 ILE 52 -8.618 -2.656 -5.416 370 3HD1 ILE 52 3HD1 ILE 52 -8.863 -0.911 -5.370 371 HA PRO 53 HA PRO 53 -12.698 -1.940 -0.680 372 1HB PRO 53 2HB PRO 53 -11.702 0.738 -1.053 373 2HB PRO 53 1HB PRO 53 -11.400 -0.365 0.292 374 1HG PRO 53 2HG PRO 53 -9.591 0.417 -1.806 375 2HG PRO 53 1HG PRO 53 -9.273 -0.634 -0.422 376 1HD PRO 53 2HD PRO 53 -9.496 -1.405 -3.170 377 2HD PRO 53 1HD PRO 53 -9.299 -2.476 -1.761 378 H THR 54 H THR 54 -14.796 -1.345 -1.075 379 HA THR 54 HA THR 54 -15.348 0.444 -3.415 380 HB THR 54 HB THR 54 -17.246 -0.875 -4.010 381 HG1 THR 54 1HG THR 54 -17.224 -2.892 -2.347 382 1HG2 THR 54 1HG2 THR 54 -15.236 -2.970 -3.196 383 2HG2 THR 54 2HG2 THR 54 -14.887 -1.814 -4.481 384 3HG2 THR 54 3HG2 THR 54 -16.248 -2.924 -4.638 385 H GLY 55 H GLY 55 -17.852 1.138 -3.148 386 1HA GLY 55 2HA GLY 55 -19.227 2.608 -1.929 387 2HA GLY 55 1HA GLY 55 -19.087 1.397 -0.653 388 H TYR 56 H TYR 56 -16.082 2.660 -1.616 389 HA TYR 56 HA TYR 56 -15.809 4.051 0.960 390 1HB TYR 56 2HB TYR 56 -13.874 2.834 0.455 391 2HB TYR 56 1HB TYR 56 -13.945 3.241 -1.258 392 HD1 TYR 56 1HD TYR 56 -14.167 5.464 1.747 393 HD2 TYR 56 2HD TYR 56 -11.920 4.338 -1.737 394 HE1 TYR 56 1HE TYR 56 -12.623 7.363 2.129 395 HE2 TYR 56 2HE TYR 56 -10.374 6.238 -1.354 396 HH TYR 56 HH TYR 56 -10.926 8.763 0.231 397 H ASP 57 H ASP 57 -16.493 6.135 1.088 398 HA ASP 57 HA ASP 57 -16.861 7.794 -1.265 399 1HB ASP 57 2HB ASP 57 -17.260 9.602 0.512 400 2HB ASP 57 1HB ASP 57 -18.344 8.211 0.557 401 H THR 58 H THR 58 -15.009 8.400 -2.327 402 HA THR 58 HA THR 58 -12.504 8.908 -0.973 403 HB THR 58 HB THR 58 -11.655 9.490 -3.128 404 HG1 THR 58 1HG THR 58 -12.863 10.804 -4.212 405 1HG2 THR 58 1HG2 THR 58 -12.365 7.641 -4.494 406 2HG2 THR 58 2HG2 THR 58 -13.926 7.565 -3.676 407 3HG2 THR 58 3HG2 THR 58 -12.456 7.111 -2.814 408 H ASN 59 H ASN 59 -13.819 10.447 0.583 409 HA ASN 59 HA ASN 59 -14.312 13.131 -0.480 410 1HB ASN 59 2HB ASN 59 -14.253 12.059 2.357 411 2HB ASN 59 1HB ASN 59 -14.732 13.699 1.918 412 1HD2 ASN 59 1HD2 ASN 59 -16.223 13.158 -0.449 413 2HD2 ASN 59 2HD2 ASN 59 -17.597 12.253 -0.033 414 H LYS 60 H LYS 60 -11.884 11.602 1.642 415 HA LYS 60 HA LYS 60 -9.799 13.362 0.692 416 1HB LYS 60 2HB LYS 60 -11.278 14.739 2.389 417 2HB LYS 60 1HB LYS 60 -10.414 13.799 3.606 418 1HG LYS 60 2HG LYS 60 -8.257 14.518 2.508 419 2HG LYS 60 1HG LYS 60 -9.206 15.605 1.494 420 1HD LYS 60 2HD LYS 60 -10.180 16.500 3.728 421 2HD LYS 60 1HD LYS 60 -8.799 15.700 4.480 422 1HE LYS 60 2HE LYS 60 -8.114 17.955 4.046 423 2HE LYS 60 1HE LYS 60 -7.324 16.954 2.828 424 1HZ LYS 60 1HZ LYS 60 -9.611 17.518 1.598 425 2HZ LYS 60 2HZ LYS 60 -8.210 18.464 1.438 426 3HZ LYS 60 3HZ LYS 60 -9.432 18.927 2.524 427 H CYS 61 H CYS 61 -9.651 10.744 0.624 428 HA CYS 61 HA CYS 61 -7.557 10.086 2.559 429 1HB CYS 61 2HB CYS 61 -9.169 7.817 2.792 430 2HB CYS 61 1HB CYS 61 -8.925 9.042 4.033 431 H GLN 62 H GLN 62 -6.986 7.593 2.115 432 HA GLN 62 HA GLN 62 -7.275 7.051 -0.811 433 1HB GLN 62 2HB GLN 62 -4.644 6.887 0.686 434 2HB GLN 62 1HB GLN 62 -4.903 6.641 -1.042 435 1HG GLN 62 2HG GLN 62 -5.787 9.026 -1.128 436 2HG GLN 62 1HG GLN 62 -5.179 9.219 0.517 437 1HE2 GLN 62 1HE2 GLN 62 -3.042 9.918 0.664 438 2HE2 GLN 62 2HE2 GLN 62 -1.885 9.776 -0.569 439 H LYS 63 H LYS 63 -6.249 4.789 -1.260 440 HA LYS 63 HA LYS 63 -7.180 2.941 0.901 441 1HB LYS 63 2HB LYS 63 -7.438 1.286 -0.955 442 2HB LYS 63 1HB LYS 63 -8.448 2.715 -1.178 443 1HG LYS 63 2HG LYS 63 -6.672 3.688 -2.644 444 2HG LYS 63 1HG LYS 63 -5.773 2.177 -2.499 445 1HD LYS 63 2HD LYS 63 -7.830 0.985 -3.379 446 2HD LYS 63 1HD LYS 63 -8.506 2.575 -3.737 447 1HE LYS 63 2HE LYS 63 -5.906 1.457 -4.827 448 2HE LYS 63 1HE LYS 63 -7.404 1.670 -5.732 449 1HZ LYS 63 1HZ LYS 63 -7.270 4.017 -5.451 450 2HZ LYS 63 2HZ LYS 63 -5.769 3.484 -6.043 451 3HZ LYS 63 3HZ LYS 63 -5.945 3.883 -4.400 452 H ILE 64 H ILE 64 -5.760 1.372 1.644 453 HA ILE 64 HA ILE 64 -3.123 1.123 0.273 454 HB ILE 64 HB ILE 64 -3.178 2.749 2.322 455 1HG1 ILE 64 2HG1 ILE 64 -0.955 1.560 3.144 456 2HG1 ILE 64 1HG1 ILE 64 -1.242 0.521 1.750 457 1HG2 ILE 64 1HG2 ILE 64 -3.135 1.785 4.479 458 2HG2 ILE 64 2HG2 ILE 64 -2.921 0.156 3.840 459 3HG2 ILE 64 3HG2 ILE 64 -4.474 0.973 3.668 460 1HD1 ILE 64 1HD1 ILE 64 -1.594 2.843 0.508 461 2HD1 ILE 64 2HD1 ILE 64 0.026 2.195 0.765 462 3HD1 ILE 64 3HD1 ILE 64 -0.603 3.447 1.837 463 H LEU 65 H LEU 65 -2.353 -0.959 0.251 464 HA LEU 65 HA LEU 65 -4.072 -3.020 1.536 465 1HB LEU 65 2HB LEU 65 -3.482 -3.050 -0.967 466 2HB LEU 65 1HB LEU 65 -1.859 -3.510 -0.462 467 HG LEU 65 HG LEU 65 -4.295 -5.011 0.512 468 1HD1 LEU 65 1HD1 LEU 65 -3.544 -6.673 -1.363 469 2HD1 LEU 65 2HD1 LEU 65 -2.837 -5.240 -2.110 470 3HD1 LEU 65 3HD1 LEU 65 -4.569 -5.305 -1.790 471 1HD2 LEU 65 1HD2 LEU 65 -1.345 -5.307 0.660 472 2HD2 LEU 65 2HD2 LEU 65 -2.221 -6.788 0.280 473 3HD2 LEU 65 3HD2 LEU 65 -2.596 -5.896 1.752 474 H ASN 66 H ASN 66 -3.362 -3.567 3.537 475 HA ASN 66 HA ASN 66 -0.556 -3.274 4.295 476 1HB ASN 66 2HB ASN 66 -2.606 -2.954 5.818 477 2HB ASN 66 1HB ASN 66 -2.692 -4.714 5.875 478 1HD2 ASN 66 1HD2 ASN 66 -1.374 -5.733 7.405 479 2HD2 ASN 66 2HD2 ASN 66 -0.095 -4.980 8.228 480 H LYS 67 H LYS 67 0.976 -4.858 4.227 481 HA LYS 67 HA LYS 67 0.175 -7.498 3.162 482 1HB LYS 67 2HB LYS 67 2.822 -7.740 3.316 483 2HB LYS 67 1HB LYS 67 2.078 -6.806 2.020 484 1HG LYS 67 2HG LYS 67 2.690 -5.383 4.582 485 2HG LYS 67 1HG LYS 67 4.042 -5.786 3.524 486 1HD LYS 67 2HD LYS 67 3.234 -4.461 1.765 487 2HD LYS 67 1HD LYS 67 1.585 -4.464 2.388 488 1HE LYS 67 2HE LYS 67 2.794 -2.280 2.719 489 2HE LYS 67 1HE LYS 67 2.202 -3.002 4.215 490 1HZ LYS 67 1HZ LYS 67 4.829 -3.899 3.501 491 2HZ LYS 67 2HZ LYS 67 4.261 -3.269 4.972 492 3HZ LYS 67 3HZ LYS 67 4.758 -2.219 3.732 493 H LYS 68 H LYS 68 1.522 -6.066 6.100 494 HA LYS 68 HA LYS 68 2.383 -8.405 7.414 495 1HB LYS 68 2HB LYS 68 1.486 -5.706 8.237 496 2HB LYS 68 1HB LYS 68 1.308 -6.945 9.477 497 1HG LYS 68 2HG LYS 68 3.507 -5.939 9.699 498 2HG LYS 68 1HG LYS 68 3.705 -7.587 9.102 499 1HD LYS 68 2HD LYS 68 3.776 -6.631 6.759 500 2HD LYS 68 1HD LYS 68 3.830 -5.025 7.488 501 1HE LYS 68 2HE LYS 68 5.851 -7.255 7.823 502 2HE LYS 68 1HE LYS 68 6.106 -5.691 7.052 503 1HZ LYS 68 1HZ LYS 68 5.592 -6.222 9.923 504 2HZ LYS 68 2HZ LYS 68 5.554 -4.667 9.239 505 3HZ LYS 68 3HZ LYS 68 6.994 -5.568 9.230 506 H THR 69 H THR 69 -0.836 -7.318 6.671 507 HA THR 69 HA THR 69 -1.917 -9.731 8.076 508 HB THR 69 HB THR 69 -4.044 -8.236 8.329 509 HG1 THR 69 1HG THR 69 -3.620 -6.069 8.380 510 1HG2 THR 69 1HG2 THR 69 -3.068 -7.250 10.461 511 2HG2 THR 69 2HG2 THR 69 -1.514 -7.914 9.955 512 3HG2 THR 69 3HG2 THR 69 -2.873 -8.992 10.275 513 H CYS 70 H CYS 70 -1.305 -8.439 5.163 514 HA CYS 70 HA CYS 70 -2.292 -8.605 3.030 515 1HB CYS 70 2HB CYS 70 -3.180 -11.149 4.410 516 2HB CYS 70 1HB CYS 70 -3.461 -10.845 2.696 517 H THR 71 H THR 71 -3.710 -6.724 3.947 518 HA THR 71 HA THR 71 -6.518 -7.436 3.348 519 HB THR 71 HB THR 71 -6.641 -7.701 5.702 520 HG1 THR 71 1HG THR 71 -8.271 -6.366 5.114 521 1HG2 THR 71 1HG2 THR 71 -5.642 -6.060 7.271 522 2HG2 THR 71 2HG2 THR 71 -4.968 -5.183 5.897 523 3HG2 THR 71 3HG2 THR 71 -4.423 -6.822 6.249 524 H TYR 72 H TYR 72 -7.872 -5.313 3.393 525 HA TYR 72 HA TYR 72 -6.215 -3.147 2.160 526 1HB TYR 72 2HB TYR 72 -8.643 -4.472 1.332 527 2HB TYR 72 1HB TYR 72 -8.974 -2.759 1.578 528 HD1 TYR 72 1HD TYR 72 -7.805 -5.137 -0.743 529 HD2 TYR 72 2HD TYR 72 -7.082 -1.130 0.626 530 HE1 TYR 72 1HE TYR 72 -6.686 -4.605 -2.891 531 HE2 TYR 72 2HE TYR 72 -5.964 -0.598 -1.522 532 HH TYR 72 HH TYR 72 -4.716 -2.045 -3.352 533 H THR 73 H THR 73 -6.341 -1.093 3.036 534 HA THR 73 HA THR 73 -8.460 -0.548 5.057 535 HB THR 73 HB THR 73 -7.022 -0.176 6.809 536 HG1 THR 73 1HG THR 73 -5.918 1.493 5.736 537 1HG2 THR 73 1HG2 THR 73 -5.203 -1.886 5.093 538 2HG2 THR 73 2HG2 THR 73 -6.584 -2.502 6.001 539 3HG2 THR 73 3HG2 THR 73 -5.213 -1.795 6.854 540 H VAL 74 H VAL 74 -8.857 1.714 5.348 541 HA VAL 74 HA VAL 74 -7.758 3.414 3.138 542 HB VAL 74 HB VAL 74 -10.252 4.077 4.689 543 1HG1 VAL 74 1HG1 VAL 74 -9.099 5.574 2.939 544 2HG1 VAL 74 2HG1 VAL 74 -10.826 5.286 2.730 545 3HG1 VAL 74 3HG1 VAL 74 -9.658 4.403 1.745 546 1HG2 VAL 74 1HG2 VAL 74 -10.617 1.765 4.063 547 2HG2 VAL 74 2HG2 VAL 74 -9.989 2.058 2.441 548 3HG2 VAL 74 3HG2 VAL 74 -11.521 2.778 2.936 549 H VAL 75 H VAL 75 -6.300 4.887 3.828 550 HA VAL 75 HA VAL 75 -6.454 5.830 6.665 551 HB VAL 75 HB VAL 75 -4.049 6.478 6.302 552 1HG1 VAL 75 1HG1 VAL 75 -4.914 3.603 5.919 553 2HG1 VAL 75 2HG1 VAL 75 -4.457 4.402 7.424 554 3HG1 VAL 75 3HG1 VAL 75 -3.235 4.063 6.197 555 1HG2 VAL 75 1HG2 VAL 75 -4.114 6.693 3.859 556 2HG2 VAL 75 2HG2 VAL 75 -4.491 4.977 3.701 557 3HG2 VAL 75 3HG2 VAL 75 -2.918 5.481 4.319 558 H GLU 76 H GLU 76 -5.653 8.147 6.933 559 HA GLU 76 HA GLU 76 -6.790 9.834 4.738 560 1HB GLU 76 2HB GLU 76 -6.568 10.274 7.723 561 2HB GLU 76 1HB GLU 76 -6.995 11.562 6.597 562 1HG GLU 76 2HG GLU 76 -8.987 10.441 5.914 563 2HG GLU 76 1HG GLU 76 -8.485 8.932 6.680 564 H LYS 77 H LYS 77 -5.528 11.480 3.888 565 HA LYS 77 HA LYS 77 -2.684 11.288 4.118 566 1HB LYS 77 2HB LYS 77 -4.257 13.678 3.131 567 2HB LYS 77 1HB LYS 77 -2.601 13.239 2.712 568 1HG LYS 77 2HG LYS 77 -3.950 10.936 2.054 569 2HG LYS 77 1HG LYS 77 -5.152 12.167 1.666 570 1HD LYS 77 2HD LYS 77 -2.320 11.965 0.609 571 2HD LYS 77 1HD LYS 77 -3.819 11.819 -0.309 572 1HE LYS 77 2HE LYS 77 -4.178 14.272 0.825 573 2HE LYS 77 1HE LYS 77 -2.422 14.252 0.647 574 1HZ LYS 77 1HZ LYS 77 -3.355 15.118 -1.342 575 2HZ LYS 77 2HZ LYS 77 -4.448 13.825 -1.477 576 3HZ LYS 77 3HZ LYS 77 -2.784 13.560 -1.695 577 H LYS 78 H LYS 78 -4.953 13.751 5.393 578 HA LYS 78 HA LYS 78 -2.848 15.125 6.852 579 1HB LYS 78 2HB LYS 78 -5.850 15.312 6.748 580 2HB LYS 78 1HB LYS 78 -4.967 16.151 8.023 581 1HG LYS 78 2HG LYS 78 -4.053 16.458 5.177 582 2HG LYS 78 1HG LYS 78 -5.459 17.368 5.726 583 1HD LYS 78 2HD LYS 78 -4.099 18.254 7.624 584 2HD LYS 78 1HD LYS 78 -2.691 17.422 6.966 585 1HE LYS 78 2HE LYS 78 -2.739 18.742 4.963 586 2HE LYS 78 1HE LYS 78 -4.319 19.412 5.369 587 1HZ LYS 78 1HZ LYS 78 -2.026 20.643 5.898 588 2HZ LYS 78 2HZ LYS 78 -2.232 19.788 7.352 589 3HZ LYS 78 3HZ LYS 78 -3.433 20.865 6.816 590 H ASP 79 H ASP 79 -4.198 12.157 7.373 591 HA ASP 79 HA ASP 79 -3.282 12.110 10.144 592 1HB ASP 79 2HB ASP 79 -5.665 13.056 10.171 593 2HB ASP 79 1HB ASP 79 -6.187 11.451 9.665 594 HA PRO 80 HA PRO 80 -3.024 8.152 7.677 595 1HB PRO 80 2HB PRO 80 -0.436 7.765 8.880 596 2HB PRO 80 1HB PRO 80 -0.817 8.095 7.189 597 1HG PRO 80 2HG PRO 80 0.416 9.856 9.063 598 2HG PRO 80 1HG PRO 80 -0.050 10.212 7.399 599 1HD PRO 80 2HD PRO 80 -1.298 11.134 9.857 600 2HD PRO 80 1HD PRO 80 -1.686 11.596 8.181 601 H GLY 81 H GLY 81 -3.501 9.009 10.804 602 1HA GLY 81 2HA GLY 81 -3.135 6.249 11.894 603 2HA GLY 81 1HA GLY 81 -3.316 7.706 12.872 604 H LYS 82 H LYS 82 -5.514 8.702 11.112 605 HA LYS 82 HA LYS 82 -7.682 7.123 12.378 606 1HB LYS 82 2HB LYS 82 -7.567 9.831 11.044 607 2HB LYS 82 1HB LYS 82 -9.098 9.059 11.460 608 1HG LYS 82 2HG LYS 82 -8.430 8.921 13.809 609 2HG LYS 82 1HG LYS 82 -6.848 9.595 13.422 610 1HD LYS 82 2HD LYS 82 -8.013 11.481 14.173 611 2HD LYS 82 1HD LYS 82 -8.215 11.591 12.425 612 1HE LYS 82 2HE LYS 82 -10.352 11.955 13.660 613 2HE LYS 82 1HE LYS 82 -10.428 10.564 12.579 614 1HZ LYS 82 1HZ LYS 82 -9.475 9.944 15.225 615 2HZ LYS 82 2HZ LYS 82 -10.649 9.160 14.280 616 3HZ LYS 82 3HZ LYS 82 -11.068 10.527 15.198 617 H THR 83 H THR 83 -8.872 5.693 11.204 618 HA THR 83 HA THR 83 -8.325 5.340 8.361 619 HB THR 83 HB THR 83 -9.911 3.474 8.514 620 HG1 THR 83 1HG THR 83 -11.496 4.091 9.816 621 1HG2 THR 83 1HG2 THR 83 -7.586 3.215 9.402 622 2HG2 THR 83 2HG2 THR 83 -8.751 2.154 10.193 623 3HG2 THR 83 3HG2 THR 83 -8.196 3.616 11.008 624 H CYS 84 H CYS 84 -9.762 5.771 6.644 625 HA CYS 84 HA CYS 84 -11.666 7.931 7.142 626 1HB CYS 84 2HB CYS 84 -10.107 7.289 5.004 627 2HB CYS 84 1HB CYS 84 -11.645 6.605 4.483 628 H ASP 85 H ASP 85 -13.821 7.526 5.605 629 HA ASP 85 HA ASP 85 -15.337 5.552 7.098 630 1HB ASP 85 2HB ASP 85 -16.037 7.275 4.703 631 2HB ASP 85 1HB ASP 85 -17.192 6.230 5.529 632 H VAL 86 H VAL 86 -15.975 3.516 6.443 633 HA VAL 86 HA VAL 86 -15.174 2.634 3.697 634 HB VAL 86 HB VAL 86 -14.986 0.841 6.120 635 1HG1 VAL 86 1HG1 VAL 86 -13.768 0.831 3.342 636 2HG1 VAL 86 2HG1 VAL 86 -14.975 -0.288 3.975 637 3HG1 VAL 86 3HG1 VAL 86 -13.332 -0.310 4.613 638 1HG2 VAL 86 1HG2 VAL 86 -12.497 1.364 6.016 639 2HG2 VAL 86 2HG2 VAL 86 -13.509 2.660 6.657 640 3HG2 VAL 86 3HG2 VAL 86 -12.913 2.744 4.999 641 H THR 87 H THR 87 -16.355 0.517 3.135 642 HA THR 87 HA THR 87 -18.988 0.290 4.504 643 HB THR 87 HB THR 87 -18.649 0.617 1.508 644 HG1 THR 87 1HG THR 87 -18.932 2.641 1.901 645 1HG2 THR 87 1HG2 THR 87 -21.081 0.218 3.269 646 2HG2 THR 87 2HG2 THR 87 -20.483 -0.881 2.026 647 3HG2 THR 87 3HG2 THR 87 -21.156 0.684 1.569 648 H GLY 88 H GLY 88 -16.764 -1.027 2.067 649 1HA GLY 88 2HA GLY 88 -16.673 -3.633 3.070 650 2HA GLY 88 1HA GLY 88 -18.050 -3.616 1.967 651 H TRP 89 H TRP 89 -15.754 -5.186 1.474 652 HA TRP 89 HA TRP 89 -14.440 -3.736 -0.794 653 1HB TRP 89 2HB TRP 89 -13.411 -6.321 0.352 654 2HB TRP 89 1HB TRP 89 -12.521 -5.029 -0.455 655 HD1 TRP 89 HD TRP 89 -11.573 -3.113 0.999 656 HE1 TRP 89 1HE TRP 89 -11.572 -2.605 3.527 657 HE3 TRP 89 3HE TRP 89 -14.932 -6.610 2.603 658 HZ2 TRP 89 2HZ TRP 89 -12.830 -3.557 5.913 659 HZ3 TRP 89 3HZ TRP 89 -15.511 -6.786 5.007 660 HH2 TRP 89 HH TRP 89 -14.466 -5.266 6.662 661 H VAL 90 H VAL 90 -13.854 -5.309 -2.644 662 HA VAL 90 HA VAL 90 -15.933 -7.425 -2.979 663 HB VAL 90 HB VAL 90 -15.281 -5.204 -4.933 664 1HG1 VAL 90 1HG1 VAL 90 -15.480 -7.159 -6.273 665 2HG1 VAL 90 2HG1 VAL 90 -17.079 -6.416 -6.317 666 3HG1 VAL 90 3HG1 VAL 90 -16.781 -7.805 -5.271 667 1HG2 VAL 90 1HG2 VAL 90 -16.910 -4.635 -3.166 668 2HG2 VAL 90 2HG2 VAL 90 -17.856 -6.066 -3.577 669 3HG2 VAL 90 3HG2 VAL 90 -17.704 -4.747 -4.737 670 H LEU 91 H LEU 91 -15.082 -9.280 -3.819 671 HA LEU 91 HA LEU 91 -12.267 -9.573 -4.196 672 1HB LEU 91 2HB LEU 91 -13.808 -11.447 -3.623 673 2HB LEU 91 1HB LEU 91 -14.493 -11.351 -5.244 674 HG LEU 91 HG LEU 91 -12.225 -11.789 -6.191 675 1HD1 LEU 91 1HD1 LEU 91 -10.643 -11.124 -4.617 676 2HD1 LEU 91 2HD1 LEU 91 -10.650 -12.866 -4.356 677 3HD1 LEU 91 3HD1 LEU 91 -11.544 -11.809 -3.266 678 1HD2 LEU 91 1HD2 LEU 91 -13.374 -13.790 -4.228 679 2HD2 LEU 91 2HD2 LEU 91 -12.119 -14.196 -5.398 680 3HD2 LEU 91 3HD2 LEU 91 -13.707 -13.673 -5.957 Start of MODEL 7 1 1H GLN 1 1HT GLN 1 -2.883 -3.902 -15.378 2 2H GLN 1 2HT GLN 1 -2.502 -2.606 -14.347 3 3H GLN 1 3HT GLN 1 -2.754 -4.160 -13.707 4 HA GLN 1 HA GLN 1 -0.772 -4.995 -14.638 5 1HB GLN 1 2HB GLN 1 0.645 -3.400 -16.040 6 2HB GLN 1 1HB GLN 1 -0.822 -4.000 -16.816 7 1HG GLN 1 2HG GLN 1 -0.804 -1.402 -15.276 8 2HG GLN 1 1HG GLN 1 -0.356 -1.467 -16.981 9 1HE2 GLN 1 1HE2 GLN 1 -2.949 -0.716 -15.141 10 2HE2 GLN 1 2HE2 GLN 1 -4.209 -1.251 -16.146 11 H CYS 2 H CYS 2 -1.139 -4.274 -12.152 12 HA CYS 2 HA CYS 2 -0.148 -3.335 -10.240 13 1HB CYS 2 2HB CYS 2 1.832 -4.466 -11.460 14 2HB CYS 2 1HB CYS 2 2.279 -2.838 -11.969 15 H TYR 3 H TYR 3 1.120 -1.250 -9.518 16 HA TYR 3 HA TYR 3 0.362 1.051 -11.273 17 1HB TYR 3 2HB TYR 3 -1.334 0.604 -9.423 18 2HB TYR 3 1HB TYR 3 -0.060 1.018 -8.275 19 HD1 TYR 3 1HD TYR 3 -1.659 2.341 -11.404 20 HD2 TYR 3 2HD TYR 3 0.174 3.249 -7.627 21 HE1 TYR 3 1HE TYR 3 -2.129 4.750 -11.755 22 HE2 TYR 3 2HE TYR 3 -0.296 5.658 -7.977 23 HH TYR 3 HH TYR 3 -1.872 7.052 -9.269 24 H PHE 4 H PHE 4 1.828 2.740 -11.241 25 HA PHE 4 HA PHE 4 4.283 2.334 -9.571 26 1HB PHE 4 2HB PHE 4 3.805 3.496 -12.309 27 2HB PHE 4 1HB PHE 4 5.213 4.007 -11.376 28 HD1 PHE 4 1HD PHE 4 7.177 2.752 -11.545 29 HD2 PHE 4 2HD PHE 4 3.405 0.873 -12.382 30 HE1 PHE 4 1HE PHE 4 8.359 0.672 -12.198 31 HE2 PHE 4 2HE PHE 4 4.588 -1.207 -13.035 32 HZ PHE 4 HZ PHE 4 7.064 -1.307 -12.943 33 H ILE 5 H ILE 5 5.026 4.067 -8.322 34 HA ILE 5 HA ILE 5 3.406 6.573 -8.385 35 HB ILE 5 HB ILE 5 4.369 5.249 -5.848 36 1HG1 ILE 5 2HG1 ILE 5 1.660 4.982 -5.764 37 2HG1 ILE 5 1HG1 ILE 5 1.929 4.781 -7.494 38 1HG2 ILE 5 1HG2 ILE 5 3.983 7.665 -5.716 39 2HG2 ILE 5 2HG2 ILE 5 2.721 6.809 -4.830 40 3HG2 ILE 5 3HG2 ILE 5 2.382 7.467 -6.430 41 1HD1 ILE 5 1HD1 ILE 5 2.019 2.612 -6.302 42 2HD1 ILE 5 2HD1 ILE 5 3.346 3.220 -5.313 43 3HD1 ILE 5 3HD1 ILE 5 3.568 3.001 -7.049 44 HA PRO 6 HA PRO 6 7.694 8.003 -8.746 45 1HB PRO 6 2HB PRO 6 6.778 10.718 -8.442 46 2HB PRO 6 1HB PRO 6 7.315 9.902 -9.913 47 1HG PRO 6 2HG PRO 6 4.646 10.662 -9.198 48 2HG PRO 6 1HG PRO 6 5.186 9.839 -10.664 49 1HD PRO 6 2HD PRO 6 3.683 8.733 -8.464 50 2HD PRO 6 1HD PRO 6 4.231 7.902 -9.943 51 H ASN 7 H ASN 7 9.066 8.004 -7.019 52 HA ASN 7 HA ASN 7 8.354 8.193 -4.328 53 1HB ASN 7 2HB ASN 7 10.582 7.443 -5.233 54 2HB ASN 7 1HB ASN 7 10.995 9.141 -5.474 55 1HD2 ASN 7 1HD2 ASN 7 9.679 7.052 -2.831 56 2HD2 ASN 7 2HD2 ASN 7 10.580 7.796 -1.600 57 H GLN 8 H GLN 8 7.355 9.868 -3.317 58 HA GLN 8 HA GLN 8 7.928 12.648 -4.226 59 1HB GLN 8 2HB GLN 8 5.773 11.636 -2.342 60 2HB GLN 8 1HB GLN 8 5.915 13.271 -2.982 61 1HG GLN 8 2HG GLN 8 4.432 12.444 -4.537 62 2HG GLN 8 1HG GLN 8 5.927 11.927 -5.315 63 1HE2 GLN 8 1HE2 GLN 8 6.190 9.917 -2.907 64 2HE2 GLN 8 2HE2 GLN 8 5.187 8.633 -3.379 65 H SER 9 H SER 9 9.399 10.661 -2.218 66 HA SER 9 HA SER 9 9.385 11.669 0.379 67 1HB SER 9 2HB SER 9 11.918 10.997 -1.138 68 2HB SER 9 1HB SER 9 11.652 10.879 0.599 69 HG SER 9 HG SER 9 10.937 9.173 -1.437 70 H LEU 10 H LEU 10 10.674 13.327 1.437 71 HA LEU 10 HA LEU 10 10.664 15.844 0.119 72 1HB LEU 10 2HB LEU 10 12.390 15.039 2.479 73 2HB LEU 10 1HB LEU 10 11.899 16.676 2.046 74 HG LEU 10 HG LEU 10 9.891 14.494 2.650 75 1HD1 LEU 10 1HD1 LEU 10 11.222 14.726 4.652 76 2HD1 LEU 10 2HD1 LEU 10 9.717 15.609 4.907 77 3HD1 LEU 10 3HD1 LEU 10 11.199 16.484 4.523 78 1HD2 LEU 10 1HD2 LEU 10 8.892 16.333 1.496 79 2HD2 LEU 10 2HD2 LEU 10 9.812 17.513 2.429 80 3HD2 LEU 10 3HD2 LEU 10 8.521 16.593 3.200 81 H LYS 11 H LYS 11 13.151 13.370 0.385 82 HA LYS 11 HA LYS 11 14.686 14.768 -1.716 83 1HB LYS 11 2HB LYS 11 16.641 13.839 0.144 84 2HB LYS 11 1HB LYS 11 16.311 15.506 -0.324 85 1HG LYS 11 2HG LYS 11 14.653 15.734 1.430 86 2HG LYS 11 1HG LYS 11 14.779 14.021 1.830 87 1HD LYS 11 2HD LYS 11 17.206 14.400 2.378 88 2HD LYS 11 1HD LYS 11 16.931 16.128 2.156 89 1HE LYS 11 2HE LYS 11 15.070 15.940 3.874 90 2HE LYS 11 1HE LYS 11 15.651 14.309 4.208 91 1HZ LYS 11 1HZ LYS 11 17.106 15.233 5.581 92 2HZ LYS 11 2HZ LYS 11 16.709 16.802 5.066 93 3HZ LYS 11 3HZ LYS 11 17.888 15.905 4.234 94 HA PRO 12 HA PRO 12 15.421 10.731 -3.298 95 1HB PRO 12 2HB PRO 12 18.295 10.880 -3.422 96 2HB PRO 12 1HB PRO 12 17.130 11.094 -4.731 97 1HG PRO 12 2HG PRO 12 18.701 13.109 -3.386 98 2HG PRO 12 1HG PRO 12 17.617 13.302 -4.766 99 1HD PRO 12 2HD PRO 12 17.180 14.224 -2.101 100 2HD PRO 12 1HD PRO 12 16.016 14.253 -3.449 101 H ASN 13 H ASN 13 17.371 8.856 -2.952 102 HA ASN 13 HA ASN 13 18.005 7.172 -1.449 103 1HB ASN 13 2HB ASN 13 18.572 9.581 0.310 104 2HB ASN 13 1HB ASN 13 19.219 7.957 0.547 105 1HD2 ASN 13 1HD2 ASN 13 21.123 7.431 -0.579 106 2HD2 ASN 13 2HD2 ASN 13 21.816 8.398 -1.790 107 H GLU 14 H GLU 14 15.232 7.772 -1.491 108 HA GLU 14 HA GLU 14 14.510 6.856 1.229 109 1HB GLU 14 2HB GLU 14 13.499 9.385 -0.070 110 2HB GLU 14 1HB GLU 14 12.535 8.527 1.134 111 1HG GLU 14 2HG GLU 14 14.425 8.655 2.722 112 2HG GLU 14 1HG GLU 14 15.356 9.555 1.524 113 H CYS 15 H CYS 15 12.026 6.409 1.217 114 HA CYS 15 HA CYS 15 10.947 5.635 -1.409 115 1HB CYS 15 2HB CYS 15 12.518 3.763 -0.392 116 2HB CYS 15 1HB CYS 15 11.120 3.434 0.629 117 H GLN 16 H GLN 16 9.785 7.507 0.005 118 HA GLN 16 HA GLN 16 7.787 6.273 1.833 119 1HB GLN 16 2HB GLN 16 7.964 9.219 1.253 120 2HB GLN 16 1HB GLN 16 7.454 8.405 2.732 121 1HG GLN 16 2HG GLN 16 9.877 7.545 2.886 122 2HG GLN 16 1HG GLN 16 10.257 8.759 1.665 123 1HE2 GLN 16 1HE2 GLN 16 10.423 8.369 4.912 124 2HE2 GLN 16 2HE2 GLN 16 10.139 9.960 5.428 125 H ASP 17 H ASP 17 5.534 6.602 1.479 126 HA ASP 17 HA ASP 17 4.693 7.758 -1.117 127 1HB ASP 17 2HB ASP 17 5.163 5.228 -1.349 128 2HB ASP 17 1HB ASP 17 3.748 4.998 -0.321 129 H LEU 18 H LEU 18 2.691 8.739 -0.910 130 HA LEU 18 HA LEU 18 0.864 9.655 0.264 131 1HB LEU 18 2HB LEU 18 0.611 6.889 1.473 132 2HB LEU 18 1HB LEU 18 -0.675 8.045 1.128 133 HG LEU 18 HG LEU 18 1.058 6.716 -0.978 134 1HD1 LEU 18 1HD1 LEU 18 -1.141 5.560 -1.532 135 2HD1 LEU 18 2HD1 LEU 18 -1.734 6.130 0.027 136 3HD1 LEU 18 3HD1 LEU 18 -0.360 5.028 -0.043 137 1HD2 LEU 18 1HD2 LEU 18 0.301 8.791 -1.846 138 2HD2 LEU 18 2HD2 LEU 18 -1.268 8.645 -1.052 139 3HD2 LEU 18 3HD2 LEU 18 -0.879 7.620 -2.433 140 H LYS 19 H LYS 19 0.152 8.272 2.967 141 HA LYS 19 HA LYS 19 2.268 9.673 4.566 142 1HB LYS 19 2HB LYS 19 -0.709 9.601 4.769 143 2HB LYS 19 1HB LYS 19 0.184 9.584 6.289 144 1HG LYS 19 2HG LYS 19 0.933 11.567 4.152 145 2HG LYS 19 1HG LYS 19 -0.456 11.887 5.189 146 1HD LYS 19 2HD LYS 19 0.847 12.014 7.127 147 2HD LYS 19 1HD LYS 19 2.159 11.064 6.430 148 1HE LYS 19 2HE LYS 19 2.663 13.532 6.649 149 2HE LYS 19 1HE LYS 19 2.832 12.895 5.012 150 1HZ LYS 19 1HZ LYS 19 1.507 14.610 4.497 151 2HZ LYS 19 2HZ LYS 19 0.907 14.778 6.078 152 3HZ LYS 19 3HZ LYS 19 0.258 13.601 5.039 153 H GLY 20 H GLY 20 0.589 6.713 3.982 154 1HA GLY 20 2HA GLY 20 1.126 5.471 6.540 155 2HA GLY 20 1HA GLY 20 0.669 4.627 5.062 156 H VAL 21 H VAL 21 2.691 5.128 3.326 157 HA VAL 21 HA VAL 21 4.842 3.510 4.416 158 HB VAL 21 HB VAL 21 4.791 5.015 1.792 159 1HG1 VAL 21 1HG1 VAL 21 6.289 2.561 2.754 160 2HG1 VAL 21 2HG1 VAL 21 6.989 4.140 2.402 161 3HG1 VAL 21 3HG1 VAL 21 6.312 3.165 1.098 162 1HG2 VAL 21 1HG2 VAL 21 3.765 2.245 2.490 163 2HG2 VAL 21 2HG2 VAL 21 3.901 2.888 0.853 164 3HG2 VAL 21 3HG2 VAL 21 2.781 3.624 2.000 165 H SER 22 H SER 22 7.081 4.153 4.575 166 HA SER 22 HA SER 22 8.122 6.740 4.190 167 1HB SER 22 2HB SER 22 6.608 6.378 6.741 168 2HB SER 22 1HB SER 22 8.119 7.282 6.810 169 HG SER 22 HG SER 22 5.763 7.814 5.355 170 H HIS 23 H HIS 23 9.856 5.234 3.657 171 HA HIS 23 HA HIS 23 11.525 4.608 6.010 172 1HB HIS 23 2HB HIS 23 10.296 2.560 4.191 173 2HB HIS 23 1HB HIS 23 11.910 2.260 4.833 174 HD1 HIS 23 1HD HIS 23 12.136 1.864 7.380 175 HD2 HIS 23 2HD HIS 23 8.213 2.565 6.151 176 HE1 HIS 23 1HE HIS 23 10.651 1.266 9.344 177 HA PRO 24 HA PRO 24 14.791 5.913 3.324 178 1HB PRO 24 2HB PRO 24 16.582 3.767 4.021 179 2HB PRO 24 1HB PRO 24 16.590 5.432 4.607 180 1HG PRO 24 2HG PRO 24 15.766 3.039 6.006 181 2HG PRO 24 1HG PRO 24 15.902 4.687 6.629 182 1HD PRO 24 2HD PRO 24 13.495 3.245 6.143 183 2HD PRO 24 1HD PRO 24 13.641 4.971 6.556 184 H LEU 25 H LEU 25 16.330 4.977 1.554 185 HA LEU 25 HA LEU 25 14.811 3.544 -0.361 186 1HB LEU 25 2HB LEU 25 17.311 4.833 -0.293 187 2HB LEU 25 1HB LEU 25 17.680 3.169 -0.740 188 HG LEU 25 HG LEU 25 15.533 4.824 -2.100 189 1HD1 LEU 25 1HD1 LEU 25 17.730 4.355 -3.841 190 2HD1 LEU 25 2HD1 LEU 25 18.404 5.002 -2.347 191 3HD1 LEU 25 3HD1 LEU 25 17.163 5.901 -3.216 192 1HD2 LEU 25 1HD2 LEU 25 16.934 2.232 -2.837 193 2HD2 LEU 25 2HD2 LEU 25 15.739 3.059 -3.834 194 3HD2 LEU 25 3HD2 LEU 25 15.268 2.381 -2.277 195 H ASN 26 H ASN 26 16.455 1.481 -1.313 196 HA ASN 26 HA ASN 26 16.600 -0.854 -1.026 197 1HB ASN 26 2HB ASN 26 17.802 0.183 1.557 198 2HB ASN 26 1HB ASN 26 17.917 -1.492 1.018 199 1HD2 ASN 26 1HD2 ASN 26 19.572 1.429 0.944 200 2HD2 ASN 26 2HD2 ASN 26 20.540 1.149 -0.422 201 H SER 27 H SER 27 14.234 -1.083 -0.899 202 HA SER 27 HA SER 27 13.428 -2.318 1.634 203 1HB SER 27 2HB SER 27 12.970 0.177 1.882 204 2HB SER 27 1HB SER 27 11.788 0.002 0.590 205 HG SER 27 HG SER 27 10.731 -0.287 2.523 206 H VAL 28 H VAL 28 13.332 -4.113 0.080 207 HA VAL 28 HA VAL 28 10.994 -3.986 -1.780 208 HB VAL 28 HB VAL 28 12.165 -6.163 -2.635 209 1HG1 VAL 28 1HG1 VAL 28 13.492 -3.467 -3.036 210 2HG1 VAL 28 2HG1 VAL 28 12.031 -4.001 -3.867 211 3HG1 VAL 28 3HG1 VAL 28 13.558 -4.835 -4.146 212 1HG2 VAL 28 1HG2 VAL 28 14.536 -4.779 -1.367 213 2HG2 VAL 28 2HG2 VAL 28 14.510 -6.341 -2.186 214 3HG2 VAL 28 3HG2 VAL 28 13.725 -6.154 -0.618 215 H TRP 29 H TRP 29 9.227 -5.175 -1.192 216 HA TRP 29 HA TRP 29 9.594 -7.619 0.431 217 1HB TRP 29 2HB TRP 29 8.041 -6.925 2.164 218 2HB TRP 29 1HB TRP 29 9.333 -5.731 2.059 219 HD1 TRP 29 HD TRP 29 5.634 -6.233 1.334 220 HE1 TRP 29 1HE TRP 29 4.556 -3.941 0.850 221 HE3 TRP 29 3HE TRP 29 9.818 -3.311 1.152 222 HZ2 TRP 29 2HZ TRP 29 5.363 -1.227 0.440 223 HZ3 TRP 29 3HZ TRP 29 9.635 -0.879 0.714 224 HH2 TRP 29 HH TRP 29 7.415 0.165 0.358 225 H LYS 30 H LYS 30 7.880 -9.087 0.175 226 HA LYS 30 HA LYS 30 5.588 -8.231 -1.529 227 1HB LYS 30 2HB LYS 30 7.018 -10.834 -2.056 228 2HB LYS 30 1HB LYS 30 5.911 -9.951 -3.107 229 1HG LYS 30 2HG LYS 30 7.592 -8.141 -3.333 230 2HG LYS 30 1HG LYS 30 8.705 -9.066 -2.325 231 1HD LYS 30 2HD LYS 30 8.410 -10.971 -4.016 232 2HD LYS 30 1HD LYS 30 7.654 -9.775 -5.069 233 1HE LYS 30 2HE LYS 30 9.682 -8.377 -4.946 234 2HE LYS 30 1HE LYS 30 10.440 -9.567 -3.888 235 1HZ LYS 30 1HZ LYS 30 11.118 -9.850 -6.195 236 2HZ LYS 30 2HZ LYS 30 9.499 -10.078 -6.659 237 3HZ LYS 30 3HZ LYS 30 10.264 -11.206 -5.641 238 H THR 31 H THR 31 3.919 -10.091 -1.585 239 HA THR 31 HA THR 31 3.841 -11.393 1.115 240 HB THR 31 HB THR 31 1.551 -10.980 1.234 241 HG1 THR 31 1HG THR 31 1.704 -10.913 -1.581 242 1HG2 THR 31 1HG2 THR 31 2.378 -8.722 -0.599 243 2HG2 THR 31 2HG2 THR 31 2.927 -8.842 1.073 244 3HG2 THR 31 3HG2 THR 31 1.207 -8.671 0.718 245 H LYS 32 H LYS 32 2.397 -13.427 1.066 246 HA LYS 32 HA LYS 32 3.490 -15.372 -0.643 247 1HB LYS 32 2HB LYS 32 2.270 -15.999 1.372 248 2HB LYS 32 1HB LYS 32 0.776 -15.339 0.706 249 1HG LYS 32 2HG LYS 32 0.670 -17.019 -0.985 250 2HG LYS 32 1HG LYS 32 2.329 -17.533 -0.677 251 1HD LYS 32 2HD LYS 32 1.733 -18.450 1.465 252 2HD LYS 32 1HD LYS 32 0.124 -17.729 1.389 253 1HE LYS 32 2HE LYS 32 0.430 -20.262 0.760 254 2HE LYS 32 1HE LYS 32 -0.626 -19.246 -0.223 255 1HZ LYS 32 1HZ LYS 32 2.236 -19.772 -0.814 256 2HZ LYS 32 2HZ LYS 32 1.139 -18.916 -1.789 257 3HZ LYS 32 3HZ LYS 32 0.938 -20.585 -1.545 258 H ASP 33 H ASP 33 0.381 -13.667 -0.978 259 HA ASP 33 HA ASP 33 0.585 -13.527 -3.845 260 1HB ASP 33 2HB ASP 33 0.115 -15.943 -3.678 261 2HB ASP 33 1HB ASP 33 -1.330 -15.599 -2.726 262 H CYS 34 H CYS 34 0.094 -11.436 -2.391 263 HA CYS 34 HA CYS 34 -2.799 -10.894 -2.784 264 1HB CYS 34 2HB CYS 34 -1.412 -10.027 -0.245 265 2HB CYS 34 1HB CYS 34 -3.140 -10.035 -0.598 266 H GLU 35 H GLU 35 0.444 -9.648 -2.103 267 HA GLU 35 HA GLU 35 -0.134 -7.338 -3.852 268 1HB GLU 35 2HB GLU 35 -0.795 -6.402 -1.741 269 2HB GLU 35 1HB GLU 35 0.607 -7.089 -0.925 270 1HG GLU 35 2HG GLU 35 2.107 -5.595 -2.011 271 2HG GLU 35 1HG GLU 35 0.891 -5.116 -3.196 272 H GLU 36 H GLU 36 1.905 -6.095 -4.292 273 HA GLU 36 HA GLU 36 4.433 -7.465 -3.615 274 1HB GLU 36 2HB GLU 36 3.689 -8.648 -5.642 275 2HB GLU 36 1HB GLU 36 3.486 -7.109 -6.478 276 1HG GLU 36 2HG GLU 36 5.847 -6.647 -6.370 277 2HG GLU 36 1HG GLU 36 6.119 -8.019 -5.294 278 H CYS 37 H CYS 37 5.233 -5.589 -2.666 279 HA CYS 37 HA CYS 37 5.282 -3.125 -4.356 280 1HB CYS 37 2HB CYS 37 5.207 -3.562 -1.383 281 2HB CYS 37 1HB CYS 37 5.840 -2.055 -2.046 282 H THR 38 H THR 38 7.205 -2.459 -5.093 283 HA THR 38 HA THR 38 9.684 -3.410 -3.716 284 HB THR 38 HB THR 38 10.713 -3.897 -5.790 285 HG1 THR 38 1HG THR 38 10.175 -2.908 -7.568 286 1HG2 THR 38 1HG2 THR 38 9.244 -5.524 -6.830 287 2HG2 THR 38 2HG2 THR 38 7.824 -4.721 -6.160 288 3HG2 THR 38 3HG2 THR 38 8.961 -5.541 -5.089 289 H CYS 39 H CYS 39 11.484 -1.910 -3.914 290 HA CYS 39 HA CYS 39 10.583 0.884 -4.499 291 1HB CYS 39 2HB CYS 39 11.377 0.229 -2.142 292 2HB CYS 39 1HB CYS 39 12.990 0.103 -2.847 293 H GLY 40 H GLY 40 11.251 1.435 -6.520 294 1HA GLY 40 2HA GLY 40 13.786 0.345 -7.586 295 2HA GLY 40 1HA GLY 40 12.604 1.291 -8.493 296 H GLN 41 H GLN 41 14.756 2.380 -9.121 297 HA GLN 41 HA GLN 41 16.361 3.902 -7.431 298 1HB GLN 41 2HB GLN 41 15.345 4.409 -10.224 299 2HB GLN 41 1HB GLN 41 16.397 5.577 -9.424 300 1HG GLN 41 2HG GLN 41 17.597 3.848 -10.848 301 2HG GLN 41 1HG GLN 41 18.152 3.955 -9.177 302 1HE2 GLN 41 1HE2 GLN 41 18.675 1.815 -8.627 303 2HE2 GLN 41 2HE2 GLN 41 17.633 0.491 -8.831 304 H ASP 42 H ASP 42 14.188 5.881 -9.341 305 HA ASP 42 HA ASP 42 13.364 7.278 -6.825 306 1HB ASP 42 2HB ASP 42 12.910 9.216 -8.359 307 2HB ASP 42 1HB ASP 42 14.603 8.726 -8.326 308 H ALA 43 H ALA 43 12.024 4.887 -7.841 309 HA ALA 43 HA ALA 43 9.307 6.032 -8.062 310 1HB ALA 43 1HB ALA 43 10.086 5.749 -10.415 311 2HB ALA 43 2HB ALA 43 8.726 4.696 -10.027 312 3HB ALA 43 3HB ALA 43 10.360 4.038 -10.092 313 H ILE 44 H ILE 44 7.646 4.403 -7.614 314 HA ILE 44 HA ILE 44 8.714 1.924 -6.314 315 HB ILE 44 HB ILE 44 6.446 3.671 -5.302 316 1HG1 ILE 44 2HG1 ILE 44 9.202 3.183 -4.128 317 2HG1 ILE 44 1HG1 ILE 44 8.737 4.643 -5.000 318 1HG2 ILE 44 1HG2 ILE 44 7.759 1.183 -4.163 319 2HG2 ILE 44 2HG2 ILE 44 6.126 1.279 -4.822 320 3HG2 ILE 44 3HG2 ILE 44 6.533 2.149 -3.343 321 1HD1 ILE 44 1HD1 ILE 44 7.446 3.606 -2.459 322 2HD1 ILE 44 2HD1 ILE 44 6.932 5.041 -3.347 323 3HD1 ILE 44 3HD1 ILE 44 8.520 5.000 -2.579 324 H SER 45 H SER 45 7.709 0.097 -7.010 325 HA SER 45 HA SER 45 5.220 0.415 -8.644 326 1HB SER 45 2HB SER 45 7.020 -0.518 -9.955 327 2HB SER 45 1HB SER 45 7.409 -1.679 -8.690 328 HG SER 45 HG SER 45 5.962 -2.259 -10.620 329 H CYS 46 H CYS 46 3.479 -0.055 -7.375 330 HA CYS 46 HA CYS 46 3.700 -2.396 -5.516 331 1HB CYS 46 2HB CYS 46 2.321 0.254 -5.286 332 2HB CYS 46 1HB CYS 46 1.597 -1.143 -4.487 333 H CYS 47 H CYS 47 2.514 -4.116 -6.120 334 HA CYS 47 HA CYS 47 0.221 -3.680 -7.994 335 1HB CYS 47 2HB CYS 47 1.525 -6.351 -7.509 336 2HB CYS 47 1HB CYS 47 0.658 -5.783 -8.937 337 H ASN 48 H ASN 48 -1.779 -4.080 -7.191 338 HA ASN 48 HA ASN 48 -2.011 -5.845 -4.778 339 1HB ASN 48 2HB ASN 48 -3.913 -4.298 -4.088 340 2HB ASN 48 1HB ASN 48 -2.296 -3.607 -3.962 341 1HD2 ASN 48 1HD2 ASN 48 -5.336 -3.452 -5.747 342 2HD2 ASN 48 2HD2 ASN 48 -4.948 -2.064 -6.645 343 H THR 49 H THR 49 -3.471 -7.466 -5.057 344 HA THR 49 HA THR 49 -5.701 -7.072 -6.993 345 HB THR 49 HB THR 49 -5.186 -8.943 -8.292 346 HG1 THR 49 1HG THR 49 -3.885 -10.598 -7.561 347 1HG2 THR 49 1HG2 THR 49 -3.471 -7.125 -8.536 348 2HG2 THR 49 2HG2 THR 49 -2.871 -8.726 -8.967 349 3HG2 THR 49 3HG2 THR 49 -2.441 -8.013 -7.413 350 H ALA 50 H ALA 50 -5.401 -7.332 -3.994 351 HA ALA 50 HA ALA 50 -7.010 -9.829 -3.594 352 1HB ALA 50 1HB ALA 50 -5.291 -8.204 -1.709 353 2HB ALA 50 2HB ALA 50 -5.071 -9.883 -2.195 354 3HB ALA 50 3HB ALA 50 -6.415 -9.438 -1.144 355 H ALA 51 H ALA 51 -9.022 -8.869 -4.210 356 HA ALA 51 HA ALA 51 -11.009 -7.684 -3.839 357 1HB ALA 51 1HB ALA 51 -10.723 -8.910 -1.630 358 2HB ALA 51 2HB ALA 51 -11.687 -7.436 -1.551 359 3HB ALA 51 3HB ALA 51 -10.014 -7.427 -0.992 360 H ILE 52 H ILE 52 -11.836 -5.509 -3.523 361 HA ILE 52 HA ILE 52 -9.795 -3.426 -2.957 362 HB ILE 52 HB ILE 52 -11.630 -3.102 -5.321 363 1HG1 ILE 52 2HG1 ILE 52 -10.336 -5.256 -5.603 364 2HG1 ILE 52 1HG1 ILE 52 -9.989 -4.035 -6.820 365 1HG2 ILE 52 1HG2 ILE 52 -8.950 -1.957 -4.503 366 2HG2 ILE 52 2HG2 ILE 52 -10.493 -1.109 -4.613 367 3HG2 ILE 52 3HG2 ILE 52 -9.690 -1.672 -6.077 368 1HD1 ILE 52 1HD1 ILE 52 -8.232 -3.784 -4.491 369 2HD1 ILE 52 2HD1 ILE 52 -7.823 -3.891 -6.201 370 3HD1 ILE 52 3HD1 ILE 52 -8.100 -5.360 -5.268 371 HA PRO 53 HA PRO 53 -13.317 -1.933 -0.618 372 1HB PRO 53 2HB PRO 53 -12.305 0.764 -0.663 373 2HB PRO 53 1HB PRO 53 -12.258 -0.400 0.664 374 1HG PRO 53 2HG PRO 53 -10.078 0.496 -0.977 375 2HG PRO 53 1HG PRO 53 -10.032 -0.651 0.365 376 1HD PRO 53 2HD PRO 53 -9.729 -1.216 -2.438 377 2HD PRO 53 1HD PRO 53 -9.741 -2.375 -1.088 378 H THR 54 H THR 54 -15.295 -1.425 -1.459 379 HA THR 54 HA THR 54 -15.396 0.320 -3.890 380 HB THR 54 HB THR 54 -17.388 -0.833 -4.524 381 HG1 THR 54 1HG THR 54 -17.438 -2.437 -2.259 382 1HG2 THR 54 1HG2 THR 54 -15.113 -2.096 -4.592 383 2HG2 THR 54 2HG2 THR 54 -16.594 -3.018 -4.848 384 3HG2 THR 54 3HG2 THR 54 -15.790 -3.059 -3.279 385 H GLY 55 H GLY 55 -17.957 1.160 -3.897 386 1HA GLY 55 2HA GLY 55 -19.294 2.873 -3.005 387 2HA GLY 55 1HA GLY 55 -19.195 1.948 -1.506 388 H TYR 56 H TYR 56 -16.114 2.801 -2.569 389 HA TYR 56 HA TYR 56 -15.831 4.730 -0.381 390 1HB TYR 56 2HB TYR 56 -13.975 3.270 -0.652 391 2HB TYR 56 1HB TYR 56 -13.924 3.528 -2.396 392 HD1 TYR 56 1HD TYR 56 -13.878 5.628 0.723 393 HD2 TYR 56 2HD TYR 56 -12.200 4.896 -3.163 394 HE1 TYR 56 1HE TYR 56 -12.294 7.507 1.053 395 HE2 TYR 56 2HE TYR 56 -10.617 6.775 -2.834 396 HH TYR 56 HH TYR 56 -9.661 8.099 -1.158 397 H ASP 57 H ASP 57 -16.252 6.862 -0.660 398 HA ASP 57 HA ASP 57 -16.479 7.968 -3.382 399 1HB ASP 57 2HB ASP 57 -16.996 9.099 -0.622 400 2HB ASP 57 1HB ASP 57 -17.132 10.067 -2.090 401 H THR 58 H THR 58 -14.470 8.336 -4.270 402 HA THR 58 HA THR 58 -12.078 8.963 -2.955 403 HB THR 58 HB THR 58 -11.832 8.516 -5.242 404 HG1 THR 58 1HG THR 58 -10.513 10.109 -5.476 405 1HG2 THR 58 1HG2 THR 58 -13.118 9.826 -6.981 406 2HG2 THR 58 2HG2 THR 58 -14.049 10.534 -5.661 407 3HG2 THR 58 3HG2 THR 58 -14.114 8.796 -5.953 408 H ASN 59 H ASN 59 -12.542 10.427 -1.222 409 HA ASN 59 HA ASN 59 -13.259 13.213 -2.046 410 1HB ASN 59 2HB ASN 59 -14.743 12.245 -0.344 411 2HB ASN 59 1HB ASN 59 -13.353 11.887 0.681 412 1HD2 ASN 59 1HD2 ASN 59 -14.396 13.364 2.318 413 2HD2 ASN 59 2HD2 ASN 59 -14.213 15.043 2.148 414 H LYS 60 H LYS 60 -11.275 11.684 0.524 415 HA LYS 60 HA LYS 60 -8.883 13.090 -0.373 416 1HB LYS 60 2HB LYS 60 -8.618 14.412 1.731 417 2HB LYS 60 1HB LYS 60 -9.988 14.948 0.758 418 1HG LYS 60 2HG LYS 60 -11.532 13.681 2.165 419 2HG LYS 60 1HG LYS 60 -10.184 13.033 3.102 420 1HD LYS 60 2HD LYS 60 -9.567 15.338 3.783 421 2HD LYS 60 1HD LYS 60 -10.956 15.959 2.888 422 1HE LYS 60 2HE LYS 60 -12.505 14.949 4.356 423 2HE LYS 60 1HE LYS 60 -11.298 13.842 5.012 424 1HZ LYS 60 1HZ LYS 60 -11.108 16.781 5.326 425 2HZ LYS 60 2HZ LYS 60 -10.247 15.579 6.165 426 3HZ LYS 60 3HZ LYS 60 -11.907 15.792 6.449 427 H CYS 61 H CYS 61 -9.412 10.372 0.028 428 HA CYS 61 HA CYS 61 -7.614 9.783 2.347 429 1HB CYS 61 2HB CYS 61 -9.873 7.953 1.532 430 2HB CYS 61 1HB CYS 61 -8.934 7.938 3.024 431 H GLN 62 H GLN 62 -6.907 7.333 2.067 432 HA GLN 62 HA GLN 62 -6.349 6.794 -0.819 433 1HB GLN 62 2HB GLN 62 -4.023 6.319 -0.306 434 2HB GLN 62 1HB GLN 62 -4.401 7.941 0.277 435 1HG GLN 62 2HG GLN 62 -4.948 6.838 2.522 436 2HG GLN 62 1HG GLN 62 -4.152 5.398 1.884 437 1HE2 GLN 62 1HE2 GLN 62 -3.501 8.940 2.201 438 2HE2 GLN 62 2HE2 GLN 62 -1.852 8.750 2.554 439 H LYS 63 H LYS 63 -5.902 4.542 -1.269 440 HA LYS 63 HA LYS 63 -6.908 2.698 0.868 441 1HB LYS 63 2HB LYS 63 -7.338 1.175 -1.186 442 2HB LYS 63 1HB LYS 63 -8.422 2.543 -0.940 443 1HG LYS 63 2HG LYS 63 -7.168 3.881 -2.552 444 2HG LYS 63 1HG LYS 63 -5.986 2.588 -2.742 445 1HD LYS 63 2HD LYS 63 -7.348 2.155 -4.570 446 2HD LYS 63 1HD LYS 63 -8.136 1.151 -3.355 447 1HE LYS 63 2HE LYS 63 -8.955 4.007 -3.964 448 2HE LYS 63 1HE LYS 63 -9.722 2.592 -4.681 449 1HZ LYS 63 1HZ LYS 63 -11.045 2.796 -2.887 450 2HZ LYS 63 2HZ LYS 63 -9.876 3.610 -1.962 451 3HZ LYS 63 3HZ LYS 63 -9.808 1.920 -2.125 452 H ILE 64 H ILE 64 -5.514 1.133 1.560 453 HA ILE 64 HA ILE 64 -3.094 0.572 -0.108 454 HB ILE 64 HB ILE 64 -2.752 2.104 1.962 455 1HG1 ILE 64 2HG1 ILE 64 -0.640 0.798 2.577 456 2HG1 ILE 64 1HG1 ILE 64 -1.200 -0.450 1.467 457 1HG2 ILE 64 1HG2 ILE 64 -2.724 1.103 4.099 458 2HG2 ILE 64 2HG2 ILE 64 -2.782 -0.529 3.432 459 3HG2 ILE 64 3HG2 ILE 64 -4.211 0.502 3.369 460 1HD1 ILE 64 1HD1 ILE 64 -0.855 0.865 -0.408 461 2HD1 ILE 64 2HD1 ILE 64 0.415 1.495 0.639 462 3HD1 ILE 64 3HD1 ILE 64 -1.102 2.374 0.471 463 H LEU 65 H LEU 65 -2.160 -1.568 0.307 464 HA LEU 65 HA LEU 65 -4.238 -3.505 1.232 465 1HB LEU 65 2HB LEU 65 -3.225 -3.517 -1.180 466 2HB LEU 65 1HB LEU 65 -1.822 -4.245 -0.405 467 HG LEU 65 HG LEU 65 -4.633 -5.316 -0.061 468 1HD1 LEU 65 1HD1 LEU 65 -4.500 -6.060 -2.184 469 2HD1 LEU 65 2HD1 LEU 65 -3.183 -7.105 -1.657 470 3HD1 LEU 65 3HD1 LEU 65 -2.831 -5.520 -2.345 471 1HD2 LEU 65 1HD2 LEU 65 -1.855 -6.242 0.668 472 2HD2 LEU 65 2HD2 LEU 65 -3.155 -7.413 0.447 473 3HD2 LEU 65 3HD2 LEU 65 -3.297 -6.162 1.679 474 H ASN 66 H ASN 66 -3.846 -4.274 3.243 475 HA ASN 66 HA ASN 66 -1.182 -4.101 4.433 476 1HB ASN 66 2HB ASN 66 -3.529 -3.880 5.589 477 2HB ASN 66 1HB ASN 66 -3.469 -5.641 5.644 478 1HD2 ASN 66 1HD2 ASN 66 -2.154 -6.598 7.248 479 2HD2 ASN 66 2HD2 ASN 66 -1.143 -5.719 8.289 480 H LYS 67 H LYS 67 0.312 -5.735 4.496 481 HA LYS 67 HA LYS 67 -0.380 -8.262 3.124 482 1HB LYS 67 2HB LYS 67 2.078 -8.684 3.251 483 2HB LYS 67 1HB LYS 67 1.681 -7.166 2.445 484 1HG LYS 67 2HG LYS 67 1.884 -6.483 5.166 485 2HG LYS 67 1HG LYS 67 3.217 -7.603 4.889 486 1HD LYS 67 2HD LYS 67 3.865 -6.236 2.881 487 2HD LYS 67 1HD LYS 67 2.627 -5.066 3.339 488 1HE LYS 67 2HE LYS 67 4.600 -4.207 4.314 489 2HE LYS 67 1HE LYS 67 3.797 -5.031 5.649 490 1HZ LYS 67 1HZ LYS 67 6.342 -5.497 4.689 491 2HZ LYS 67 2HZ LYS 67 5.423 -6.839 4.197 492 3HZ LYS 67 3HZ LYS 67 5.500 -6.414 5.841 493 H LYS 68 H LYS 68 -0.357 -7.152 6.309 494 HA LYS 68 HA LYS 68 0.804 -9.302 7.737 495 1HB LYS 68 2HB LYS 68 -0.141 -7.120 8.686 496 2HB LYS 68 1HB LYS 68 -1.728 -7.884 8.590 497 1HG LYS 68 2HG LYS 68 -1.009 -9.682 10.058 498 2HG LYS 68 1HG LYS 68 0.644 -9.066 10.061 499 1HD LYS 68 2HD LYS 68 0.064 -7.165 11.332 500 2HD LYS 68 1HD LYS 68 -1.653 -7.334 10.968 501 1HE LYS 68 2HE LYS 68 -1.034 -8.046 13.303 502 2HE LYS 68 1HE LYS 68 -1.820 -9.308 12.356 503 1HZ LYS 68 1HZ LYS 68 0.700 -9.777 11.730 504 2HZ LYS 68 2HZ LYS 68 -0.054 -10.485 13.078 505 3HZ LYS 68 3HZ LYS 68 0.937 -9.118 13.275 506 H THR 69 H THR 69 -2.589 -8.863 6.714 507 HA THR 69 HA THR 69 -2.856 -11.844 6.666 508 HB THR 69 HB THR 69 -5.294 -11.400 7.369 509 HG1 THR 69 1HG THR 69 -5.785 -9.455 8.010 510 1HG2 THR 69 1HG2 THR 69 -3.831 -12.486 8.914 511 2HG2 THR 69 2HG2 THR 69 -4.595 -11.174 9.810 512 3HG2 THR 69 3HG2 THR 69 -2.942 -10.996 9.224 513 H CYS 70 H CYS 70 -2.324 -9.809 4.547 514 HA CYS 70 HA CYS 70 -3.120 -9.246 2.406 515 1HB CYS 70 2HB CYS 70 -4.553 -11.876 2.885 516 2HB CYS 70 1HB CYS 70 -4.497 -11.055 1.326 517 H THR 71 H THR 71 -4.302 -7.426 3.525 518 HA THR 71 HA THR 71 -7.212 -7.674 2.977 519 HB THR 71 HB THR 71 -7.917 -7.060 5.103 520 HG1 THR 71 1HG THR 71 -6.753 -5.791 6.429 521 1HG2 THR 71 1HG2 THR 71 -5.287 -8.427 5.730 522 2HG2 THR 71 2HG2 THR 71 -6.734 -9.267 5.173 523 3HG2 THR 71 3HG2 THR 71 -6.743 -8.429 6.725 524 H TYR 72 H TYR 72 -8.239 -5.395 3.211 525 HA TYR 72 HA TYR 72 -6.330 -3.393 2.064 526 1HB TYR 72 2HB TYR 72 -8.975 -4.309 1.260 527 2HB TYR 72 1HB TYR 72 -8.955 -2.563 1.498 528 HD1 TYR 72 1HD TYR 72 -7.402 -1.132 0.204 529 HD2 TYR 72 2HD TYR 72 -7.708 -5.355 -0.514 530 HE1 TYR 72 1HE TYR 72 -6.241 -0.846 -1.969 531 HE2 TYR 72 2HE TYR 72 -6.545 -5.070 -2.686 532 HH TYR 72 HH TYR 72 -6.262 -2.316 -4.271 533 H THR 73 H THR 73 -6.318 -1.310 2.929 534 HA THR 73 HA THR 73 -8.226 -0.715 5.139 535 HB THR 73 HB THR 73 -6.605 -0.409 6.747 536 HG1 THR 73 1HG THR 73 -4.338 -0.006 5.933 537 1HG2 THR 73 1HG2 THR 73 -4.938 -2.154 6.644 538 2HG2 THR 73 2HG2 THR 73 -5.045 -2.215 4.884 539 3HG2 THR 73 3HG2 THR 73 -6.402 -2.758 5.870 540 H VAL 74 H VAL 74 -8.815 1.439 5.194 541 HA VAL 74 HA VAL 74 -7.539 3.207 3.143 542 HB VAL 74 HB VAL 74 -10.251 3.676 4.376 543 1HG1 VAL 74 1HG1 VAL 74 -9.058 4.328 1.663 544 2HG1 VAL 74 2HG1 VAL 74 -9.170 5.454 3.016 545 3HG1 VAL 74 3HG1 VAL 74 -10.638 4.842 2.254 546 1HG2 VAL 74 1HG2 VAL 74 -9.527 1.828 2.085 547 2HG2 VAL 74 2HG2 VAL 74 -11.155 2.455 2.340 548 3HG2 VAL 74 3HG2 VAL 74 -10.410 1.417 3.555 549 H VAL 75 H VAL 75 -6.158 4.622 4.096 550 HA VAL 75 HA VAL 75 -6.846 5.668 6.816 551 HB VAL 75 HB VAL 75 -4.293 6.412 6.571 552 1HG1 VAL 75 1HG1 VAL 75 -5.302 3.635 7.237 553 2HG1 VAL 75 2HG1 VAL 75 -5.079 4.981 8.353 554 3HG1 VAL 75 3HG1 VAL 75 -3.678 4.202 7.619 555 1HG2 VAL 75 1HG2 VAL 75 -4.142 5.541 4.237 556 2HG2 VAL 75 2HG2 VAL 75 -4.476 3.921 4.846 557 3HG2 VAL 75 3HG2 VAL 75 -2.998 4.756 5.322 558 H GLU 76 H GLU 76 -6.067 8.002 7.135 559 HA GLU 76 HA GLU 76 -6.796 9.579 4.697 560 1HB GLU 76 2HB GLU 76 -8.231 9.727 6.812 561 2HB GLU 76 1HB GLU 76 -6.862 10.550 7.560 562 1HG GLU 76 2HG GLU 76 -6.909 12.268 5.808 563 2HG GLU 76 1HG GLU 76 -8.244 11.436 5.011 564 H LYS 77 H LYS 77 -5.329 11.021 3.896 565 HA LYS 77 HA LYS 77 -2.598 10.954 4.608 566 1HB LYS 77 2HB LYS 77 -4.186 13.167 3.272 567 2HB LYS 77 1HB LYS 77 -2.425 13.107 3.334 568 1HG LYS 77 2HG LYS 77 -3.873 10.694 2.308 569 2HG LYS 77 1HG LYS 77 -3.774 12.104 1.256 570 1HD LYS 77 2HD LYS 77 -1.288 11.107 2.627 571 2HD LYS 77 1HD LYS 77 -1.869 10.289 1.178 572 1HE LYS 77 2HE LYS 77 -1.324 13.268 1.363 573 2HE LYS 77 1HE LYS 77 -0.218 12.088 0.661 574 1HZ LYS 77 1HZ LYS 77 -2.064 11.449 -0.859 575 2HZ LYS 77 2HZ LYS 77 -1.477 13.025 -1.094 576 3HZ LYS 77 3HZ LYS 77 -2.946 12.777 -0.277 577 H LYS 78 H LYS 78 -5.180 12.339 6.299 578 HA LYS 78 HA LYS 78 -3.369 14.238 7.739 579 1HB LYS 78 2HB LYS 78 -6.401 14.105 7.692 580 2HB LYS 78 1HB LYS 78 -5.435 15.320 8.530 581 1HG LYS 78 2HG LYS 78 -4.678 16.287 6.520 582 2HG LYS 78 1HG LYS 78 -5.085 14.857 5.571 583 1HD LYS 78 2HD LYS 78 -7.456 15.286 5.825 584 2HD LYS 78 1HD LYS 78 -7.139 16.610 6.946 585 1HE LYS 78 2HE LYS 78 -5.864 16.748 4.244 586 2HE LYS 78 1HE LYS 78 -7.594 17.066 4.353 587 1HZ LYS 78 1HZ LYS 78 -6.930 18.593 6.283 588 2HZ LYS 78 2HZ LYS 78 -6.647 19.131 4.696 589 3HZ LYS 78 3HZ LYS 78 -5.367 18.518 5.630 590 H ASP 79 H ASP 79 -4.356 11.139 7.999 591 HA ASP 79 HA ASP 79 -3.933 11.121 10.900 592 1HB ASP 79 2HB ASP 79 -6.438 11.568 10.437 593 2HB ASP 79 1HB ASP 79 -6.495 9.893 9.887 594 HA PRO 80 HA PRO 80 -2.448 7.445 8.412 595 1HB PRO 80 2HB PRO 80 -0.023 7.589 9.961 596 2HB PRO 80 1HB PRO 80 -0.240 7.900 8.236 597 1HG PRO 80 2HG PRO 80 0.306 9.806 10.283 598 2HG PRO 80 1HG PRO 80 -0.012 10.123 8.575 599 1HD PRO 80 2HD PRO 80 -1.741 10.628 10.859 600 2HD PRO 80 1HD PRO 80 -2.000 11.077 9.155 601 H GLY 81 H GLY 81 -4.049 7.628 10.965 602 1HA GLY 81 2HA GLY 81 -3.118 5.046 12.132 603 2HA GLY 81 1HA GLY 81 -3.476 6.393 13.213 604 H LYS 82 H LYS 82 -5.748 7.418 11.786 605 HA LYS 82 HA LYS 82 -7.727 5.357 12.582 606 1HB LYS 82 2HB LYS 82 -7.927 8.305 11.942 607 2HB LYS 82 1HB LYS 82 -9.354 7.295 12.166 608 1HG LYS 82 2HG LYS 82 -7.136 7.418 14.219 609 2HG LYS 82 1HG LYS 82 -8.492 8.544 14.241 610 1HD LYS 82 2HD LYS 82 -9.950 6.350 14.101 611 2HD LYS 82 1HD LYS 82 -8.490 5.573 14.713 612 1HE LYS 82 2HE LYS 82 -8.456 7.243 16.584 613 2HE LYS 82 1HE LYS 82 -10.009 7.851 16.012 614 1HZ LYS 82 1HZ LYS 82 -11.090 6.070 16.797 615 2HZ LYS 82 2HZ LYS 82 -9.729 5.877 17.795 616 3HZ LYS 82 3HZ LYS 82 -9.866 4.982 16.357 617 H THR 83 H THR 83 -9.491 4.786 11.139 618 HA THR 83 HA THR 83 -8.599 4.571 8.350 619 HB THR 83 HB THR 83 -10.690 3.220 8.086 620 HG1 THR 83 1HG THR 83 -11.973 4.243 9.608 621 1HG2 THR 83 1HG2 THR 83 -9.929 1.356 9.402 622 2HG2 THR 83 2HG2 THR 83 -9.127 2.427 10.552 623 3HG2 THR 83 3HG2 THR 83 -8.500 2.265 8.913 624 H CYS 84 H CYS 84 -9.791 5.402 6.547 625 HA CYS 84 HA CYS 84 -11.176 7.935 7.136 626 1HB CYS 84 2HB CYS 84 -9.513 7.069 5.082 627 2HB CYS 84 1HB CYS 84 -11.104 7.092 4.324 628 H ASP 85 H ASP 85 -12.977 8.025 4.974 629 HA ASP 85 HA ASP 85 -15.214 6.564 6.099 630 1HB ASP 85 2HB ASP 85 -14.923 8.167 3.541 631 2HB ASP 85 1HB ASP 85 -16.450 7.495 4.115 632 H VAL 86 H VAL 86 -15.375 4.391 5.804 633 HA VAL 86 HA VAL 86 -14.619 3.263 3.134 634 HB VAL 86 HB VAL 86 -14.891 1.725 5.721 635 1HG1 VAL 86 1HG1 VAL 86 -13.662 1.195 3.010 636 2HG1 VAL 86 2HG1 VAL 86 -14.912 0.268 3.838 637 3HG1 VAL 86 3HG1 VAL 86 -13.251 0.231 4.428 638 1HG2 VAL 86 1HG2 VAL 86 -12.522 3.204 4.564 639 2HG2 VAL 86 2HG2 VAL 86 -12.326 1.857 5.687 640 3HG2 VAL 86 3HG2 VAL 86 -13.180 3.313 6.196 641 H THR 87 H THR 87 -15.967 1.204 2.637 642 HA THR 87 HA THR 87 -18.772 1.491 3.614 643 HB THR 87 HB THR 87 -17.993 1.166 0.703 644 HG1 THR 87 1HG THR 87 -17.881 3.244 0.717 645 1HG2 THR 87 1HG2 THR 87 -20.620 1.403 2.173 646 2HG2 THR 87 2HG2 THR 87 -20.101 0.127 1.072 647 3HG2 THR 87 3HG2 THR 87 -20.477 1.731 0.446 648 H GLY 88 H GLY 88 -16.425 -0.501 1.839 649 1HA GLY 88 2HA GLY 88 -16.903 -2.867 3.284 650 2HA GLY 88 1HA GLY 88 -18.007 -2.904 1.907 651 H TRP 89 H TRP 89 -16.753 -4.779 1.153 652 HA TRP 89 HA TRP 89 -14.474 -3.912 -0.525 653 1HB TRP 89 2HB TRP 89 -14.172 -6.421 1.117 654 2HB TRP 89 1HB TRP 89 -12.923 -5.468 0.315 655 HD1 TRP 89 HD TRP 89 -12.406 -3.008 1.409 656 HE1 TRP 89 1HE TRP 89 -12.486 -2.265 3.876 657 HE3 TRP 89 3HE TRP 89 -15.277 -6.751 3.364 658 HZ2 TRP 89 2HZ TRP 89 -13.619 -3.142 6.352 659 HZ3 TRP 89 3HZ TRP 89 -15.841 -6.774 5.777 660 HH2 TRP 89 HH TRP 89 -15.016 -4.975 7.273 661 H VAL 90 H VAL 90 -14.130 -5.336 -2.327 662 HA VAL 90 HA VAL 90 -16.425 -7.197 -2.814 663 HB VAL 90 HB VAL 90 -16.207 -5.253 -4.370 664 1HG1 VAL 90 1HG1 VAL 90 -13.684 -6.601 -5.347 665 2HG1 VAL 90 2HG1 VAL 90 -13.646 -5.280 -4.180 666 3HG1 VAL 90 3HG1 VAL 90 -14.313 -5.014 -5.791 667 1HG2 VAL 90 1HG2 VAL 90 -17.133 -7.516 -5.053 668 2HG2 VAL 90 2HG2 VAL 90 -15.546 -7.880 -5.731 669 3HG2 VAL 90 3HG2 VAL 90 -16.499 -6.547 -6.384 670 H LEU 91 H LEU 91 -15.976 -9.330 -3.258 671 HA LEU 91 HA LEU 91 -13.287 -10.302 -2.749 672 1HB LEU 91 2HB LEU 91 -15.635 -11.448 -2.340 673 2HB LEU 91 1HB LEU 91 -15.418 -12.018 -3.994 674 HG LEU 91 HG LEU 91 -13.462 -12.420 -1.709 675 1HD1 LEU 91 1HD1 LEU 91 -15.376 -13.862 -1.432 676 2HD1 LEU 91 2HD1 LEU 91 -14.071 -14.843 -2.100 677 3HD1 LEU 91 3HD1 LEU 91 -15.374 -14.280 -3.145 678 1HD2 LEU 91 1HD2 LEU 91 -12.159 -12.290 -3.684 679 2HD2 LEU 91 2HD2 LEU 91 -13.392 -13.097 -4.654 680 3HD2 LEU 91 3HD2 LEU 91 -12.449 -14.017 -3.482 Start of MODEL 8 1 1H GLN 1 1HT GLN 1 -1.921 -7.854 -11.923 2 2H GLN 1 2HT GLN 1 -1.280 -7.552 -13.468 3 3H GLN 1 3HT GLN 1 -2.912 -7.991 -13.293 4 HA GLN 1 HA GLN 1 -2.427 -5.552 -13.707 5 1HB GLN 1 2HB GLN 1 -4.579 -6.545 -12.814 6 2HB GLN 1 1HB GLN 1 -3.968 -6.236 -11.189 7 1HG GLN 1 2HG GLN 1 -3.842 -3.859 -11.617 8 2HG GLN 1 1HG GLN 1 -4.237 -4.099 -13.319 9 1HE2 GLN 1 1HE2 GLN 1 -6.110 -2.565 -12.750 10 2HE2 GLN 1 2HE2 GLN 1 -7.518 -3.251 -12.095 11 H CYS 2 H CYS 2 -1.313 -3.776 -12.966 12 HA CYS 2 HA CYS 2 -0.468 -3.568 -10.174 13 1HB CYS 2 2HB CYS 2 1.224 -5.117 -11.301 14 2HB CYS 2 1HB CYS 2 1.705 -3.727 -12.274 15 H TYR 3 H TYR 3 0.947 -1.515 -9.937 16 HA TYR 3 HA TYR 3 0.419 0.465 -12.092 17 1HB TYR 3 2HB TYR 3 -1.483 0.724 -10.607 18 2HB TYR 3 1HB TYR 3 -0.429 0.756 -9.194 19 HD1 TYR 3 1HD TYR 3 -0.604 2.485 -12.531 20 HD2 TYR 3 2HD TYR 3 -0.068 2.868 -8.285 21 HE1 TYR 3 1HE TYR 3 -0.339 4.937 -12.783 22 HE2 TYR 3 2HE TYR 3 0.195 5.320 -8.540 23 HH TYR 3 HH TYR 3 0.438 6.821 -11.700 24 H PHE 4 H PHE 4 1.758 2.421 -11.831 25 HA PHE 4 HA PHE 4 4.254 1.837 -10.281 26 1HB PHE 4 2HB PHE 4 3.704 3.081 -12.934 27 2HB PHE 4 1HB PHE 4 5.020 3.784 -11.996 28 HD1 PHE 4 1HD PHE 4 3.761 0.269 -12.406 29 HD2 PHE 4 2HD PHE 4 7.071 2.982 -12.773 30 HE1 PHE 4 1HE PHE 4 5.233 -1.616 -13.062 31 HE2 PHE 4 2HE PHE 4 8.543 1.098 -13.430 32 HZ PHE 4 HZ PHE 4 7.625 -1.201 -13.573 33 H ILE 5 H ILE 5 5.139 3.473 -8.987 34 HA ILE 5 HA ILE 5 3.509 5.956 -8.648 35 HB ILE 5 HB ILE 5 4.483 4.040 -6.529 36 1HG1 ILE 5 2HG1 ILE 5 1.782 5.360 -6.845 37 2HG1 ILE 5 1HG1 ILE 5 2.184 3.857 -7.678 38 1HG2 ILE 5 1HG2 ILE 5 3.533 5.869 -4.956 39 2HG2 ILE 5 2HG2 ILE 5 3.758 6.963 -6.321 40 3HG2 ILE 5 3HG2 ILE 5 5.145 6.122 -5.624 41 1HD1 ILE 5 1HD1 ILE 5 2.787 2.858 -5.459 42 2HD1 ILE 5 2HD1 ILE 5 1.085 3.303 -5.588 43 3HD1 ILE 5 3HD1 ILE 5 2.201 4.331 -4.686 44 HA PRO 6 HA PRO 6 7.912 7.107 -9.307 45 1HB PRO 6 2HB PRO 6 7.004 9.805 -9.756 46 2HB PRO 6 1HB PRO 6 7.640 8.653 -10.933 47 1HG PRO 6 2HG PRO 6 4.947 9.555 -10.673 48 2HG PRO 6 1HG PRO 6 5.569 8.332 -11.785 49 1HD PRO 6 2HD PRO 6 3.925 7.950 -9.419 50 2HD PRO 6 1HD PRO 6 4.443 6.733 -10.614 51 H ASN 7 H ASN 7 9.141 7.508 -7.526 52 HA ASN 7 HA ASN 7 8.259 8.361 -5.027 53 1HB ASN 7 2HB ASN 7 10.489 7.419 -5.361 54 2HB ASN 7 1HB ASN 7 10.974 8.836 -6.292 55 1HD2 ASN 7 1HD2 ASN 7 11.299 7.533 -3.266 56 2HD2 ASN 7 2HD2 ASN 7 11.465 8.955 -2.355 57 H GLN 8 H GLN 8 8.231 10.388 -3.945 58 HA GLN 8 HA GLN 8 8.625 12.824 -5.601 59 1HB GLN 8 2HB GLN 8 6.432 13.702 -4.631 60 2HB GLN 8 1HB GLN 8 6.275 12.456 -5.868 61 1HG GLN 8 2HG GLN 8 6.361 11.775 -2.926 62 2HG GLN 8 1HG GLN 8 4.849 12.163 -3.747 63 1HE2 GLN 8 1HE2 GLN 8 6.930 9.596 -2.991 64 2HE2 GLN 8 2HE2 GLN 8 6.370 8.476 -4.137 65 H SER 9 H SER 9 9.526 11.237 -2.974 66 HA SER 9 HA SER 9 9.155 13.161 -0.849 67 1HB SER 9 2HB SER 9 9.670 10.827 -0.338 68 2HB SER 9 1HB SER 9 11.197 10.944 -1.209 69 HG SER 9 HG SER 9 10.791 12.870 0.724 70 H LEU 10 H LEU 10 10.976 14.414 0.127 71 HA LEU 10 HA LEU 10 12.503 15.778 -1.996 72 1HB LEU 10 2HB LEU 10 12.634 16.378 0.963 73 2HB LEU 10 1HB LEU 10 12.926 17.471 -0.390 74 HG LEU 10 HG LEU 10 10.261 16.259 0.397 75 1HD1 LEU 10 1HD1 LEU 10 11.066 18.155 1.801 76 2HD1 LEU 10 2HD1 LEU 10 9.634 18.578 0.864 77 3HD1 LEU 10 3HD1 LEU 10 11.223 19.136 0.345 78 1HD2 LEU 10 1HD2 LEU 10 11.143 17.899 -1.984 79 2HD2 LEU 10 2HD2 LEU 10 9.463 17.877 -1.447 80 3HD2 LEU 10 3HD2 LEU 10 10.241 16.385 -1.976 81 H LYS 11 H LYS 11 12.999 13.049 -0.242 82 HA LYS 11 HA LYS 11 15.937 13.517 0.060 83 1HB LYS 11 2HB LYS 11 14.042 11.555 1.356 84 2HB LYS 11 1HB LYS 11 15.792 11.374 1.444 85 1HG LYS 11 2HG LYS 11 14.555 14.015 2.173 86 2HG LYS 11 1HG LYS 11 14.502 12.693 3.338 87 1HD LYS 11 2HD LYS 11 17.129 13.248 2.021 88 2HD LYS 11 1HD LYS 11 16.571 14.401 3.231 89 1HE LYS 11 2HE LYS 11 17.998 12.480 4.114 90 2HE LYS 11 1HE LYS 11 16.449 12.716 4.922 91 1HZ LYS 11 1HZ LYS 11 15.587 11.040 3.215 92 2HZ LYS 11 2HZ LYS 11 16.519 10.452 4.509 93 3HZ LYS 11 3HZ LYS 11 17.217 10.639 2.971 94 HA PRO 12 HA PRO 12 15.770 10.901 -3.696 95 1HB PRO 12 2HB PRO 12 18.620 11.261 -3.942 96 2HB PRO 12 1HB PRO 12 17.338 11.961 -4.932 97 1HG PRO 12 2HG PRO 12 19.001 13.304 -3.045 98 2HG PRO 12 1HG PRO 12 17.659 13.982 -3.973 99 1HD PRO 12 2HD PRO 12 17.761 13.369 -1.134 100 2HD PRO 12 1HD PRO 12 16.454 14.165 -2.047 101 H ASN 13 H ASN 13 15.827 9.687 -1.118 102 HA ASN 13 HA ASN 13 17.177 7.221 -1.727 103 1HB ASN 13 2HB ASN 13 19.096 8.670 -0.933 104 2HB ASN 13 1HB ASN 13 18.289 8.760 0.634 105 1HD2 ASN 13 1HD2 ASN 13 19.711 7.449 1.881 106 2HD2 ASN 13 2HD2 ASN 13 20.017 5.816 1.536 107 H GLU 14 H GLU 14 14.529 7.884 -1.100 108 HA GLU 14 HA GLU 14 14.162 6.283 1.366 109 1HB GLU 14 2HB GLU 14 13.137 9.090 0.936 110 2HB GLU 14 1HB GLU 14 12.330 7.973 2.037 111 1HG GLU 14 2HG GLU 14 14.432 7.660 3.275 112 2HG GLU 14 1HG GLU 14 15.247 8.771 2.174 113 H CYS 15 H CYS 15 11.661 5.952 1.632 114 HA CYS 15 HA CYS 15 10.384 5.650 -1.058 115 1HB CYS 15 2HB CYS 15 10.694 3.562 1.111 116 2HB CYS 15 1HB CYS 15 9.470 3.435 -0.153 117 H GLN 16 H GLN 16 9.202 7.599 -0.338 118 HA GLN 16 HA GLN 16 7.306 7.146 1.913 119 1HB GLN 16 2HB GLN 16 8.645 9.290 1.748 120 2HB GLN 16 1HB GLN 16 7.718 9.673 0.295 121 1HG GLN 16 2HG GLN 16 5.635 9.624 1.546 122 2HG GLN 16 1HG GLN 16 6.477 9.073 2.995 123 1HE2 GLN 16 1HE2 GLN 16 5.890 11.880 0.923 124 2HE2 GLN 16 2HE2 GLN 16 6.574 13.024 1.974 125 H ASP 17 H ASP 17 5.115 6.923 1.560 126 HA ASP 17 HA ASP 17 3.978 7.589 -1.076 127 1HB ASP 17 2HB ASP 17 4.961 5.054 -0.792 128 2HB ASP 17 1HB ASP 17 3.312 4.826 -0.211 129 H LEU 18 H LEU 18 1.583 7.473 -1.006 130 HA LEU 18 HA LEU 18 -0.368 8.163 0.134 131 1HB LEU 18 2HB LEU 18 0.554 5.778 1.769 132 2HB LEU 18 1HB LEU 18 -1.032 6.527 1.934 133 HG LEU 18 HG LEU 18 -1.219 6.169 -0.645 134 1HD1 LEU 18 1HD1 LEU 18 1.063 4.337 0.119 135 2HD1 LEU 18 2HD1 LEU 18 0.993 5.492 -1.210 136 3HD1 LEU 18 3HD1 LEU 18 0.033 4.017 -1.274 137 1HD2 LEU 18 1HD2 LEU 18 -2.145 3.924 -0.276 138 2HD2 LEU 18 2HD2 LEU 18 -2.555 4.978 1.076 139 3HD2 LEU 18 3HD2 LEU 18 -1.259 3.795 1.244 140 H LYS 19 H LYS 19 -0.701 7.730 3.094 141 HA LYS 19 HA LYS 19 1.070 9.969 4.003 142 1HB LYS 19 2HB LYS 19 -1.640 10.059 3.853 143 2HB LYS 19 1HB LYS 19 -1.454 9.408 5.479 144 1HG LYS 19 2HG LYS 19 -1.429 11.741 5.820 145 2HG LYS 19 1HG LYS 19 0.280 11.307 5.820 146 1HD LYS 19 2HD LYS 19 -0.165 11.744 3.140 147 2HD LYS 19 1HD LYS 19 -1.253 12.923 3.872 148 1HE LYS 19 2HE LYS 19 0.587 13.861 5.182 149 2HE LYS 19 1HE LYS 19 1.689 12.634 4.554 150 1HZ LYS 19 1HZ LYS 19 0.229 14.196 2.583 151 2HZ LYS 19 2HZ LYS 19 1.836 13.644 2.562 152 3HZ LYS 19 3HZ LYS 19 1.420 15.027 3.459 153 H GLY 20 H GLY 20 0.766 6.722 4.243 154 1HA GLY 20 2HA GLY 20 1.657 6.710 7.106 155 2HA GLY 20 1HA GLY 20 0.703 5.408 6.403 156 H VAL 21 H VAL 21 2.334 5.659 3.835 157 HA VAL 21 HA VAL 21 4.349 3.713 4.606 158 HB VAL 21 HB VAL 21 4.037 5.157 1.964 159 1HG1 VAL 21 1HG1 VAL 21 5.142 3.051 1.120 160 2HG1 VAL 21 2HG1 VAL 21 5.435 2.603 2.800 161 3HG1 VAL 21 3HG1 VAL 21 6.180 4.056 2.132 162 1HG2 VAL 21 1HG2 VAL 21 2.746 3.132 1.300 163 2HG2 VAL 21 2HG2 VAL 21 1.949 4.032 2.590 164 3HG2 VAL 21 3HG2 VAL 21 2.837 2.555 2.964 165 H SER 22 H SER 22 6.544 4.016 4.858 166 HA SER 22 HA SER 22 8.007 6.303 3.964 167 1HB SER 22 2HB SER 22 6.917 7.670 5.550 168 2HB SER 22 1HB SER 22 6.889 6.394 6.763 169 HG SER 22 HG SER 22 8.788 7.022 7.388 170 H HIS 23 H HIS 23 9.728 4.947 3.521 171 HA HIS 23 HA HIS 23 11.173 3.844 5.850 172 1HB HIS 23 2HB HIS 23 10.212 2.159 3.521 173 2HB HIS 23 1HB HIS 23 11.432 1.625 4.677 174 HD1 HIS 23 1HD HIS 23 7.768 2.442 4.400 175 HD2 HIS 23 2HD HIS 23 10.426 0.945 7.241 176 HE1 HIS 23 1HE HIS 23 6.356 1.575 6.316 177 HA PRO 24 HA PRO 24 14.652 5.342 3.536 178 1HB PRO 24 2HB PRO 24 16.338 3.103 4.201 179 2HB PRO 24 1HB PRO 24 16.332 4.718 4.916 180 1HG PRO 24 2HG PRO 24 15.354 2.248 6.055 181 2HG PRO 24 1HG PRO 24 15.468 3.839 6.813 182 1HD PRO 24 2HD PRO 24 13.084 2.494 6.022 183 2HD PRO 24 1HD PRO 24 13.224 4.177 6.587 184 H LEU 25 H LEU 25 16.050 4.756 1.669 185 HA LEU 25 HA LEU 25 14.698 3.242 -0.316 186 1HB LEU 25 2HB LEU 25 16.755 5.010 -0.365 187 2HB LEU 25 1HB LEU 25 17.652 3.509 -0.570 188 HG LEU 25 HG LEU 25 15.942 2.927 -2.402 189 1HD1 LEU 25 1HD1 LEU 25 15.095 5.167 -3.471 190 2HD1 LEU 25 2HD1 LEU 25 15.268 5.809 -1.839 191 3HD1 LEU 25 3HD1 LEU 25 14.183 4.454 -2.143 192 1HD2 LEU 25 1HD2 LEU 25 17.136 4.432 -4.060 193 2HD2 LEU 25 2HD2 LEU 25 18.201 3.510 -3.000 194 3HD2 LEU 25 3HD2 LEU 25 17.905 5.219 -2.681 195 H ASN 26 H ASN 26 16.745 1.624 -1.435 196 HA ASN 26 HA ASN 26 17.201 -0.696 -1.385 197 1HB ASN 26 2HB ASN 26 18.767 -1.271 0.489 198 2HB ASN 26 1HB ASN 26 19.219 0.197 -0.376 199 1HD2 ASN 26 1HD2 ASN 26 17.759 -0.996 2.649 200 2HD2 ASN 26 2HD2 ASN 26 17.965 0.449 3.513 201 H SER 27 H SER 27 14.655 -0.721 -0.882 202 HA SER 27 HA SER 27 14.354 -2.647 1.350 203 1HB SER 27 2HB SER 27 13.782 -0.469 2.352 204 2HB SER 27 1HB SER 27 12.633 -0.164 1.053 205 HG SER 27 HG SER 27 12.561 -2.197 3.031 206 H VAL 28 H VAL 28 13.994 -4.216 -0.299 207 HA VAL 28 HA VAL 28 11.542 -3.815 -1.962 208 HB VAL 28 HB VAL 28 12.592 -5.910 -3.141 209 1HG1 VAL 28 1HG1 VAL 28 13.924 -4.432 -4.581 210 2HG1 VAL 28 2HG1 VAL 28 13.918 -3.190 -3.328 211 3HG1 VAL 28 3HG1 VAL 28 12.414 -3.641 -4.129 212 1HG2 VAL 28 1HG2 VAL 28 14.295 -6.133 -1.246 213 2HG2 VAL 28 2HG2 VAL 28 15.084 -4.708 -1.923 214 3HG2 VAL 28 3HG2 VAL 28 14.951 -6.182 -2.882 215 H TRP 29 H TRP 29 9.780 -4.992 -1.367 216 HA TRP 29 HA TRP 29 10.180 -7.600 0.003 217 1HB TRP 29 2HB TRP 29 8.586 -7.017 1.766 218 2HB TRP 29 1HB TRP 29 9.923 -5.867 1.776 219 HD1 TRP 29 HD TRP 29 6.228 -6.178 0.898 220 HE1 TRP 29 1HE TRP 29 5.240 -3.818 0.588 221 HE3 TRP 29 3HE TRP 29 10.502 -3.391 1.141 222 HZ2 TRP 29 2HZ TRP 29 6.141 -1.107 0.459 223 HZ3 TRP 29 3HZ TRP 29 10.406 -0.924 0.921 224 HH2 TRP 29 HH TRP 29 8.234 0.220 0.581 225 H LYS 30 H LYS 30 8.722 -9.097 -0.719 226 HA LYS 30 HA LYS 30 6.171 -8.179 -1.915 227 1HB LYS 30 2HB LYS 30 6.546 -9.662 -3.885 228 2HB LYS 30 1HB LYS 30 7.652 -8.290 -3.823 229 1HG LYS 30 2HG LYS 30 9.227 -9.940 -2.538 230 2HG LYS 30 1HG LYS 30 8.209 -11.192 -3.252 231 1HD LYS 30 2HD LYS 30 8.631 -10.256 -5.492 232 2HD LYS 30 1HD LYS 30 9.661 -9.015 -4.776 233 1HE LYS 30 2HE LYS 30 10.208 -11.938 -4.273 234 2HE LYS 30 1HE LYS 30 10.800 -11.151 -5.736 235 1HZ LYS 30 1HZ LYS 30 12.527 -10.749 -4.334 236 2HZ LYS 30 2HZ LYS 30 11.551 -10.695 -2.944 237 3HZ LYS 30 3HZ LYS 30 11.593 -9.371 -4.009 238 H THR 31 H THR 31 4.509 -9.632 -1.550 239 HA THR 31 HA THR 31 5.082 -11.873 0.247 240 HB THR 31 HB THR 31 2.729 -12.044 0.518 241 HG1 THR 31 1HG THR 31 1.437 -11.784 -1.104 242 1HG2 THR 31 1HG2 THR 31 2.055 -9.806 1.038 243 2HG2 THR 31 2HG2 THR 31 3.137 -9.129 -0.179 244 3HG2 THR 31 3HG2 THR 31 3.800 -9.866 1.280 245 H LYS 32 H LYS 32 3.381 -13.861 -0.482 246 HA LYS 32 HA LYS 32 4.601 -14.828 -3.023 247 1HB LYS 32 2HB LYS 32 3.034 -16.422 -0.977 248 2HB LYS 32 1HB LYS 32 4.059 -17.049 -2.266 249 1HG LYS 32 2HG LYS 32 5.625 -17.158 -0.596 250 2HG LYS 32 1HG LYS 32 5.851 -15.454 -0.986 251 1HD LYS 32 2HD LYS 32 4.160 -14.872 0.760 252 2HD LYS 32 1HD LYS 32 4.063 -16.579 1.192 253 1HE LYS 32 2HE LYS 32 6.580 -16.504 1.563 254 2HE LYS 32 1HE LYS 32 6.462 -14.750 1.423 255 1HZ LYS 32 1HZ LYS 32 4.822 -16.330 3.318 256 2HZ LYS 32 2HZ LYS 32 5.042 -14.645 3.284 257 3HZ LYS 32 3HZ LYS 32 6.325 -15.664 3.736 258 H ASP 33 H ASP 33 1.574 -13.881 -1.599 259 HA ASP 33 HA ASP 33 0.256 -13.937 -4.181 260 1HB ASP 33 2HB ASP 33 -1.571 -15.536 -3.378 261 2HB ASP 33 1HB ASP 33 -0.028 -16.280 -3.797 262 H CYS 34 H CYS 34 0.568 -11.773 -2.666 263 HA CYS 34 HA CYS 34 -2.178 -11.174 -1.768 264 1HB CYS 34 2HB CYS 34 0.247 -10.988 0.030 265 2HB CYS 34 1HB CYS 34 -1.248 -10.108 0.349 266 H GLU 35 H GLU 35 1.125 -9.815 -1.767 267 HA GLU 35 HA GLU 35 0.246 -7.651 -3.553 268 1HB GLU 35 2HB GLU 35 -0.421 -6.733 -1.397 269 2HB GLU 35 1HB GLU 35 1.164 -7.101 -0.715 270 1HG GLU 35 2HG GLU 35 2.246 -5.482 -2.079 271 2HG GLU 35 1HG GLU 35 0.840 -5.316 -3.131 272 H GLU 36 H GLU 36 2.107 -6.339 -4.274 273 HA GLU 36 HA GLU 36 4.780 -7.483 -3.636 274 1HB GLU 36 2HB GLU 36 3.900 -6.997 -6.490 275 2HB GLU 36 1HB GLU 36 5.348 -7.834 -5.929 276 1HG GLU 36 2HG GLU 36 3.920 -9.598 -4.925 277 2HG GLU 36 1HG GLU 36 2.492 -8.779 -5.557 278 H CYS 37 H CYS 37 5.517 -5.579 -2.697 279 HA CYS 37 HA CYS 37 5.405 -3.116 -4.391 280 1HB CYS 37 2HB CYS 37 5.261 -3.536 -1.423 281 2HB CYS 37 1HB CYS 37 5.897 -2.018 -2.054 282 H THR 38 H THR 38 7.308 -2.293 -5.051 283 HA THR 38 HA THR 38 9.812 -3.208 -3.681 284 HB THR 38 HB THR 38 10.907 -3.298 -5.866 285 HG1 THR 38 1HG THR 38 10.033 -2.141 -7.360 286 1HG2 THR 38 1HG2 THR 38 9.509 -5.146 -6.909 287 2HG2 THR 38 2HG2 THR 38 8.301 -4.816 -5.665 288 3HG2 THR 38 3HG2 THR 38 9.910 -5.374 -5.207 289 H CYS 39 H CYS 39 11.612 -1.660 -3.928 290 HA CYS 39 HA CYS 39 10.609 1.150 -4.197 291 1HB CYS 39 2HB CYS 39 12.589 -0.179 -2.400 292 2HB CYS 39 1HB CYS 39 12.944 1.474 -2.902 293 H GLY 40 H GLY 40 10.997 1.468 -6.411 294 1HA GLY 40 2HA GLY 40 13.471 0.657 -7.686 295 2HA GLY 40 1HA GLY 40 12.264 1.741 -8.380 296 H GLN 41 H GLN 41 15.371 1.787 -7.815 297 HA GLN 41 HA GLN 41 15.976 3.912 -6.072 298 1HB GLN 41 2HB GLN 41 17.289 3.185 -8.708 299 2HB GLN 41 1HB GLN 41 17.987 4.269 -7.505 300 1HG GLN 41 2HG GLN 41 17.701 2.340 -5.833 301 2HG GLN 41 1HG GLN 41 17.416 1.314 -7.240 302 1HE2 GLN 41 1HE2 GLN 41 19.395 3.359 -8.668 303 2HE2 GLN 41 2HE2 GLN 41 20.916 2.730 -8.251 304 H ASP 42 H ASP 42 14.033 4.016 -8.822 305 HA ASP 42 HA ASP 42 14.333 6.995 -8.963 306 1HB ASP 42 2HB ASP 42 15.275 5.894 -10.991 307 2HB ASP 42 1HB ASP 42 13.708 5.138 -11.279 308 H ALA 43 H ALA 43 12.270 4.260 -8.628 309 HA ALA 43 HA ALA 43 9.982 6.015 -8.131 310 1HB ALA 43 1HB ALA 43 9.710 5.861 -10.517 311 2HB ALA 43 2HB ALA 43 8.530 4.763 -9.799 312 3HB ALA 43 3HB ALA 43 10.017 4.124 -10.497 313 H ILE 44 H ILE 44 7.976 4.479 -7.698 314 HA ILE 44 HA ILE 44 8.964 2.011 -6.313 315 HB ILE 44 HB ILE 44 6.714 3.793 -5.343 316 1HG1 ILE 44 2HG1 ILE 44 9.644 3.716 -4.559 317 2HG1 ILE 44 1HG1 ILE 44 8.757 5.092 -5.215 318 1HG2 ILE 44 1HG2 ILE 44 6.801 2.468 -3.363 319 2HG2 ILE 44 2HG2 ILE 44 8.339 1.739 -3.829 320 3HG2 ILE 44 3HG2 ILE 44 6.863 1.314 -4.696 321 1HD1 ILE 44 1HD1 ILE 44 8.451 3.807 -2.498 322 2HD1 ILE 44 2HD1 ILE 44 7.223 4.881 -3.169 323 3HD1 ILE 44 3HD1 ILE 44 8.853 5.483 -2.869 324 H SER 45 H SER 45 7.910 0.198 -6.963 325 HA SER 45 HA SER 45 5.373 0.537 -8.517 326 1HB SER 45 2HB SER 45 7.222 -0.478 -9.786 327 2HB SER 45 1HB SER 45 7.406 -1.716 -8.548 328 HG SER 45 HG SER 45 5.313 -2.424 -9.027 329 H CYS 46 H CYS 46 3.554 -0.604 -7.871 330 HA CYS 46 HA CYS 46 3.830 -2.588 -5.674 331 1HB CYS 46 2HB CYS 46 2.357 0.023 -5.547 332 2HB CYS 46 1HB CYS 46 1.704 -1.370 -4.684 333 H CYS 47 H CYS 47 2.557 -4.323 -6.076 334 HA CYS 47 HA CYS 47 0.301 -3.990 -8.024 335 1HB CYS 47 2HB CYS 47 1.788 -6.575 -7.553 336 2HB CYS 47 1HB CYS 47 0.782 -6.123 -8.929 337 H ASN 48 H ASN 48 -1.600 -4.146 -6.948 338 HA ASN 48 HA ASN 48 -1.750 -5.957 -4.569 339 1HB ASN 48 2HB ASN 48 -3.924 -4.566 -4.189 340 2HB ASN 48 1HB ASN 48 -2.370 -3.808 -3.839 341 1HD2 ASN 48 1HD2 ASN 48 -3.623 -4.388 -7.131 342 2HD2 ASN 48 2HD2 ASN 48 -3.791 -2.748 -7.533 343 H THR 49 H THR 49 -2.843 -7.823 -4.893 344 HA THR 49 HA THR 49 -4.743 -7.982 -7.198 345 HB THR 49 HB THR 49 -4.270 -10.287 -7.324 346 HG1 THR 49 1HG THR 49 -4.006 -11.404 -5.582 347 1HG2 THR 49 1HG2 THR 49 -2.326 -8.848 -7.942 348 2HG2 THR 49 2HG2 THR 49 -1.843 -10.448 -7.381 349 3HG2 THR 49 3HG2 THR 49 -1.696 -9.056 -6.308 350 H ALA 50 H ALA 50 -4.795 -7.463 -3.942 351 HA ALA 50 HA ALA 50 -7.025 -9.250 -3.266 352 1HB ALA 50 1HB ALA 50 -5.272 -8.492 -1.607 353 2HB ALA 50 2HB ALA 50 -6.934 -8.229 -1.082 354 3HB ALA 50 3HB ALA 50 -5.979 -6.879 -1.697 355 H ALA 51 H ALA 51 -9.124 -8.340 -2.513 356 HA ALA 51 HA ALA 51 -10.369 -6.697 -4.439 357 1HB ALA 51 1HB ALA 51 -12.263 -6.644 -2.988 358 2HB ALA 51 2HB ALA 51 -11.261 -6.860 -1.554 359 3HB ALA 51 3HB ALA 51 -11.481 -8.195 -2.684 360 H ILE 52 H ILE 52 -11.478 -4.527 -3.807 361 HA ILE 52 HA ILE 52 -9.565 -2.805 -2.289 362 HB ILE 52 HB ILE 52 -10.950 -1.986 -4.854 363 1HG1 ILE 52 2HG1 ILE 52 -8.503 -2.140 -5.729 364 2HG1 ILE 52 1HG1 ILE 52 -8.230 -3.203 -4.351 365 1HG2 ILE 52 1HG2 ILE 52 -10.292 -0.188 -3.262 366 2HG2 ILE 52 2HG2 ILE 52 -9.388 -0.112 -4.774 367 3HG2 ILE 52 3HG2 ILE 52 -8.630 -0.774 -3.326 368 1HD1 ILE 52 1HD1 ILE 52 -9.157 -4.923 -5.469 369 2HD1 ILE 52 2HD1 ILE 52 -9.360 -3.878 -6.871 370 3HD1 ILE 52 3HD1 ILE 52 -10.654 -4.017 -5.684 371 HA PRO 53 HA PRO 53 -13.405 -1.738 -0.221 372 1HB PRO 53 2HB PRO 53 -12.340 0.805 0.610 373 2HB PRO 53 1HB PRO 53 -12.541 -0.662 1.571 374 1HG PRO 53 2HG PRO 53 -10.099 0.485 0.574 375 2HG PRO 53 1HG PRO 53 -10.301 -0.953 1.579 376 1HD PRO 53 2HD PRO 53 -9.529 -0.849 -1.182 377 2HD PRO 53 1HD PRO 53 -9.821 -2.300 -0.193 378 H THR 54 H THR 54 -15.210 -0.844 -1.148 379 HA THR 54 HA THR 54 -14.944 1.730 -2.629 380 HB THR 54 HB THR 54 -15.797 0.921 -4.611 381 HG1 THR 54 1HG THR 54 -17.190 -0.924 -4.640 382 1HG2 THR 54 1HG2 THR 54 -14.788 -1.172 -5.182 383 2HG2 THR 54 2HG2 THR 54 -14.836 -1.724 -3.508 384 3HG2 THR 54 3HG2 THR 54 -13.735 -0.429 -3.979 385 H GLY 55 H GLY 55 -17.435 2.260 -3.349 386 1HA GLY 55 2HA GLY 55 -19.608 2.758 -2.600 387 2HA GLY 55 1HA GLY 55 -19.470 1.400 -1.483 388 H TYR 56 H TYR 56 -16.816 2.868 -0.628 389 HA TYR 56 HA TYR 56 -18.092 4.274 1.603 390 1HB TYR 56 2HB TYR 56 -16.019 4.212 2.638 391 2HB TYR 56 1HB TYR 56 -15.878 2.824 1.563 392 HD1 TYR 56 1HD TYR 56 -14.570 2.983 -0.538 393 HD2 TYR 56 2HD TYR 56 -14.744 6.229 2.270 394 HE1 TYR 56 1HE TYR 56 -12.610 4.035 -1.630 395 HE2 TYR 56 2HE TYR 56 -12.784 7.281 1.178 396 HH TYR 56 HH TYR 56 -11.434 5.990 -1.811 397 H ASP 57 H ASP 57 -18.325 6.465 1.790 398 HA ASP 57 HA ASP 57 -18.275 8.208 -0.379 399 1HB ASP 57 2HB ASP 57 -17.856 8.773 2.565 400 2HB ASP 57 1HB ASP 57 -18.044 10.050 1.363 401 H THR 58 H THR 58 -16.529 8.498 -1.696 402 HA THR 58 HA THR 58 -13.800 8.507 -0.598 403 HB THR 58 HB THR 58 -13.068 8.529 -2.864 404 HG1 THR 58 1HG THR 58 -14.082 9.677 -4.279 405 1HG2 THR 58 1HG2 THR 58 -15.731 7.082 -2.836 406 2HG2 THR 58 2HG2 THR 58 -14.228 6.443 -2.171 407 3HG2 THR 58 3HG2 THR 58 -14.369 6.741 -3.904 408 H ASN 59 H ASN 59 -14.166 10.457 0.767 409 HA ASN 59 HA ASN 59 -14.573 13.011 -0.640 410 1HB ASN 59 2HB ASN 59 -14.012 12.317 2.256 411 2HB ASN 59 1HB ASN 59 -14.200 13.971 1.672 412 1HD2 ASN 59 1HD2 ASN 59 -16.006 12.581 3.560 413 2HD2 ASN 59 2HD2 ASN 59 -17.531 12.532 2.814 414 H LYS 60 H LYS 60 -11.952 11.501 1.276 415 HA LYS 60 HA LYS 60 -9.906 12.525 -0.485 416 1HB LYS 60 2HB LYS 60 -10.715 14.575 0.896 417 2HB LYS 60 1HB LYS 60 -9.887 13.805 2.249 418 1HG LYS 60 2HG LYS 60 -8.151 15.092 1.409 419 2HG LYS 60 1HG LYS 60 -7.903 13.612 0.481 420 1HD LYS 60 2HD LYS 60 -9.207 14.555 -1.386 421 2HD LYS 60 1HD LYS 60 -9.476 16.031 -0.459 422 1HE LYS 60 2HE LYS 60 -7.571 16.164 -2.122 423 2HE LYS 60 1HE LYS 60 -7.126 16.553 -0.460 424 1HZ LYS 60 1HZ LYS 60 -6.755 13.919 -1.781 425 2HZ LYS 60 2HZ LYS 60 -6.332 14.291 -0.178 426 3HZ LYS 60 3HZ LYS 60 -5.530 15.051 -1.469 427 H CYS 61 H CYS 61 -10.776 10.072 0.989 428 HA CYS 61 HA CYS 61 -8.507 9.617 2.847 429 1HB CYS 61 2HB CYS 61 -10.644 7.620 2.076 430 2HB CYS 61 1HB CYS 61 -9.648 7.647 3.530 431 H GLN 62 H GLN 62 -7.422 7.377 2.559 432 HA GLN 62 HA GLN 62 -6.910 6.890 -0.352 433 1HB GLN 62 2HB GLN 62 -5.098 7.555 1.844 434 2HB GLN 62 1HB GLN 62 -4.633 6.054 1.045 435 1HG GLN 62 2HG GLN 62 -3.586 8.036 -0.017 436 2HG GLN 62 1HG GLN 62 -4.652 7.178 -1.128 437 1HE2 GLN 62 1HE2 GLN 62 -5.946 9.192 1.481 438 2HE2 GLN 62 2HE2 GLN 62 -6.556 10.414 0.473 439 H LYS 63 H LYS 63 -5.802 4.642 -0.590 440 HA LYS 63 HA LYS 63 -7.086 2.678 1.270 441 1HB LYS 63 2HB LYS 63 -7.236 1.221 -0.881 442 2HB LYS 63 1HB LYS 63 -8.432 2.495 -0.658 443 1HG LYS 63 2HG LYS 63 -5.901 3.234 -2.067 444 2HG LYS 63 1HG LYS 63 -7.051 2.232 -2.950 445 1HD LYS 63 2HD LYS 63 -8.051 4.672 -1.505 446 2HD LYS 63 1HD LYS 63 -7.243 4.863 -3.061 447 1HE LYS 63 2HE LYS 63 -9.643 3.083 -2.530 448 2HE LYS 63 1HE LYS 63 -9.680 4.638 -3.361 449 1HZ LYS 63 1HZ LYS 63 -9.472 3.282 -5.143 450 2HZ LYS 63 2HZ LYS 63 -8.669 2.058 -4.280 451 3HZ LYS 63 3HZ LYS 63 -7.823 3.443 -4.782 452 H ILE 64 H ILE 64 -5.620 1.257 2.093 453 HA ILE 64 HA ILE 64 -3.044 0.880 0.611 454 HB ILE 64 HB ILE 64 -2.953 2.376 2.699 455 1HG1 ILE 64 2HG1 ILE 64 -1.258 -0.120 2.921 456 2HG1 ILE 64 1HG1 ILE 64 -1.021 1.049 1.622 457 1HG2 ILE 64 1HG2 ILE 64 -3.123 1.364 4.842 458 2HG2 ILE 64 2HG2 ILE 64 -3.133 -0.262 4.162 459 3HG2 ILE 64 3HG2 ILE 64 -4.534 0.789 3.955 460 1HD1 ILE 64 1HD1 ILE 64 -0.711 2.842 3.301 461 2HD1 ILE 64 2HD1 ILE 64 0.477 1.554 3.504 462 3HD1 ILE 64 3HD1 ILE 64 -0.909 1.655 4.591 463 H LEU 65 H LEU 65 -2.146 -1.216 0.731 464 HA LEU 65 HA LEU 65 -4.051 -3.312 1.670 465 1HB LEU 65 2HB LEU 65 -3.174 -3.178 -0.773 466 2HB LEU 65 1HB LEU 65 -1.661 -3.789 -0.111 467 HG LEU 65 HG LEU 65 -4.328 -5.146 0.361 468 1HD1 LEU 65 1HD1 LEU 65 -3.363 -6.801 -1.378 469 2HD1 LEU 65 2HD1 LEU 65 -2.318 -5.467 -1.866 470 3HD1 LEU 65 3HD1 LEU 65 -4.070 -5.302 -1.980 471 1HD2 LEU 65 1HD2 LEU 65 -2.588 -7.105 0.639 472 2HD2 LEU 65 2HD2 LEU 65 -2.827 -5.966 1.962 473 3HD2 LEU 65 3HD2 LEU 65 -1.434 -5.796 0.894 474 H ASN 66 H ASN 66 -3.524 -4.273 3.565 475 HA ASN 66 HA ASN 66 -0.856 -3.929 4.715 476 1HB ASN 66 2HB ASN 66 -3.185 -4.059 5.932 477 2HB ASN 66 1HB ASN 66 -2.928 -5.802 5.837 478 1HD2 ASN 66 1HD2 ASN 66 -2.875 -4.063 8.285 479 2HD2 ASN 66 2HD2 ASN 66 -1.337 -4.286 8.968 480 H LYS 67 H LYS 67 0.672 -5.122 3.602 481 HA LYS 67 HA LYS 67 0.162 -7.757 2.543 482 1HB LYS 67 2HB LYS 67 2.626 -7.831 2.204 483 2HB LYS 67 1HB LYS 67 1.906 -6.345 1.586 484 1HG LYS 67 2HG LYS 67 2.474 -5.638 4.186 485 2HG LYS 67 1HG LYS 67 3.810 -6.727 3.814 486 1HD LYS 67 2HD LYS 67 4.149 -5.405 1.674 487 2HD LYS 67 1HD LYS 67 2.996 -4.231 2.309 488 1HE LYS 67 2HE LYS 67 5.624 -5.054 3.577 489 2HE LYS 67 1HE LYS 67 5.237 -3.483 2.873 490 1HZ LYS 67 1HZ LYS 67 4.403 -2.857 4.807 491 2HZ LYS 67 2HZ LYS 67 4.781 -4.366 5.486 492 3HZ LYS 67 3HZ LYS 67 3.268 -4.115 4.757 493 H LYS 68 H LYS 68 0.877 -6.617 5.697 494 HA LYS 68 HA LYS 68 2.394 -8.756 6.762 495 1HB LYS 68 2HB LYS 68 0.225 -7.097 8.085 496 2HB LYS 68 1HB LYS 68 1.358 -8.139 8.946 497 1HG LYS 68 2HG LYS 68 3.203 -6.786 7.698 498 2HG LYS 68 1HG LYS 68 1.926 -5.603 7.416 499 1HD LYS 68 2HD LYS 68 2.635 -6.674 10.161 500 2HD LYS 68 1HD LYS 68 3.304 -5.186 9.496 501 1HE LYS 68 2HE LYS 68 1.470 -4.076 10.201 502 2HE LYS 68 1HE LYS 68 0.474 -5.067 9.135 503 1HZ LYS 68 1HZ LYS 68 1.105 -5.462 11.981 504 2HZ LYS 68 2HZ LYS 68 0.706 -6.800 11.013 505 3HZ LYS 68 3HZ LYS 68 -0.397 -5.521 11.197 506 H THR 69 H THR 69 -1.150 -8.382 6.533 507 HA THR 69 HA THR 69 -1.367 -11.360 6.738 508 HB THR 69 HB THR 69 -3.590 -10.899 7.918 509 HG1 THR 69 1HG THR 69 -2.340 -8.403 8.388 510 1HG2 THR 69 1HG2 THR 69 -2.464 -10.538 10.118 511 2HG2 THR 69 2HG2 THR 69 -0.976 -10.147 9.253 512 3HG2 THR 69 3HG2 THR 69 -1.668 -11.765 9.133 513 H CYS 70 H CYS 70 -1.344 -9.462 4.419 514 HA CYS 70 HA CYS 70 -2.598 -9.045 2.472 515 1HB CYS 70 2HB CYS 70 -4.057 -11.589 3.211 516 2HB CYS 70 1HB CYS 70 -3.720 -10.961 1.599 517 H THR 71 H THR 71 -3.662 -7.212 3.651 518 HA THR 71 HA THR 71 -6.600 -7.660 3.743 519 HB THR 71 HB THR 71 -6.902 -6.916 5.917 520 HG1 THR 71 1HG THR 71 -4.735 -5.368 5.271 521 1HG2 THR 71 1HG2 THR 71 -5.531 -9.010 5.933 522 2HG2 THR 71 2HG2 THR 71 -5.292 -8.015 7.368 523 3HG2 THR 71 3HG2 THR 71 -4.083 -8.016 6.085 524 H TYR 72 H TYR 72 -7.692 -5.403 4.043 525 HA TYR 72 HA TYR 72 -6.101 -3.314 2.608 526 1HB TYR 72 2HB TYR 72 -8.422 -4.728 1.667 527 2HB TYR 72 1HB TYR 72 -8.863 -3.041 1.921 528 HD1 TYR 72 1HD TYR 72 -7.439 -5.317 -0.367 529 HD2 TYR 72 2HD TYR 72 -7.054 -1.283 1.057 530 HE1 TYR 72 1HE TYR 72 -6.270 -4.690 -2.462 531 HE2 TYR 72 2HE TYR 72 -5.882 -0.657 -1.038 532 HH TYR 72 HH TYR 72 -5.736 -2.787 -3.768 533 H THR 73 H THR 73 -6.276 -1.290 3.494 534 HA THR 73 HA THR 73 -8.480 -0.786 5.444 535 HB THR 73 HB THR 73 -7.067 -0.259 7.188 536 HG1 THR 73 1HG THR 73 -4.723 0.076 5.805 537 1HG2 THR 73 1HG2 THR 73 -5.196 -2.021 5.584 538 2HG2 THR 73 2HG2 THR 73 -6.596 -2.622 6.472 539 3HG2 THR 73 3HG2 THR 73 -5.261 -1.863 7.339 540 H VAL 74 H VAL 74 -8.943 1.484 5.725 541 HA VAL 74 HA VAL 74 -7.953 3.163 3.451 542 HB VAL 74 HB VAL 74 -10.439 3.693 5.084 543 1HG1 VAL 74 1HG1 VAL 74 -9.328 5.368 3.442 544 2HG1 VAL 74 2HG1 VAL 74 -11.058 5.073 3.272 545 3HG1 VAL 74 3HG1 VAL 74 -9.920 4.296 2.173 546 1HG2 VAL 74 1HG2 VAL 74 -10.128 1.906 2.652 547 2HG2 VAL 74 2HG2 VAL 74 -11.677 2.498 3.251 548 3HG2 VAL 74 3HG2 VAL 74 -10.697 1.425 4.250 549 H VAL 75 H VAL 75 -6.624 4.812 4.016 550 HA VAL 75 HA VAL 75 -6.642 5.725 6.867 551 HB VAL 75 HB VAL 75 -4.336 6.518 6.418 552 1HG1 VAL 75 1HG1 VAL 75 -4.612 4.269 7.307 553 2HG1 VAL 75 2HG1 VAL 75 -3.305 4.258 6.123 554 3HG1 VAL 75 3HG1 VAL 75 -4.894 3.630 5.688 555 1HG2 VAL 75 1HG2 VAL 75 -4.834 5.274 3.695 556 2HG2 VAL 75 2HG2 VAL 75 -3.258 5.807 4.278 557 3HG2 VAL 75 3HG2 VAL 75 -4.549 6.982 4.027 558 H GLU 76 H GLU 76 -5.961 8.122 7.054 559 HA GLU 76 HA GLU 76 -7.475 9.681 4.995 560 1HB GLU 76 2HB GLU 76 -8.188 9.635 7.498 561 2HB GLU 76 1HB GLU 76 -6.793 10.683 7.755 562 1HG GLU 76 2HG GLU 76 -7.681 12.243 6.029 563 2HG GLU 76 1HG GLU 76 -9.110 11.219 5.873 564 H LYS 77 H LYS 77 -6.517 11.526 4.110 565 HA LYS 77 HA LYS 77 -3.660 11.550 3.906 566 1HB LYS 77 2HB LYS 77 -5.875 13.391 3.062 567 2HB LYS 77 1HB LYS 77 -4.213 13.970 2.971 568 1HG LYS 77 2HG LYS 77 -4.852 11.263 1.841 569 2HG LYS 77 1HG LYS 77 -5.309 12.694 0.918 570 1HD LYS 77 2HD LYS 77 -3.050 13.466 0.807 571 2HD LYS 77 1HD LYS 77 -2.520 12.303 2.022 572 1HE LYS 77 2HE LYS 77 -3.743 11.390 -0.579 573 2HE LYS 77 1HE LYS 77 -2.022 11.750 -0.454 574 1HZ LYS 77 1HZ LYS 77 -2.187 9.492 0.023 575 2HZ LYS 77 2HZ LYS 77 -3.577 9.688 0.979 576 3HZ LYS 77 3HZ LYS 77 -2.067 10.215 1.552 577 H LYS 78 H LYS 78 -5.735 12.766 6.344 578 HA LYS 78 HA LYS 78 -3.520 14.506 7.375 579 1HB LYS 78 2HB LYS 78 -5.821 15.555 6.690 580 2HB LYS 78 1HB LYS 78 -6.393 14.855 8.204 581 1HG LYS 78 2HG LYS 78 -4.325 15.996 9.276 582 2HG LYS 78 1HG LYS 78 -4.254 16.944 7.791 583 1HD LYS 78 2HD LYS 78 -6.609 17.649 8.151 584 2HD LYS 78 1HD LYS 78 -6.629 16.749 9.668 585 1HE LYS 78 2HE LYS 78 -4.957 18.166 10.636 586 2HE LYS 78 1HE LYS 78 -4.600 18.916 9.080 587 1HZ LYS 78 1HZ LYS 78 -6.573 19.617 10.979 588 2HZ LYS 78 2HZ LYS 78 -7.314 19.237 9.499 589 3HZ LYS 78 3HZ LYS 78 -6.114 20.437 9.567 590 H ASP 79 H ASP 79 -4.907 11.568 7.829 591 HA ASP 79 HA ASP 79 -4.009 11.489 10.637 592 1HB ASP 79 2HB ASP 79 -6.526 12.129 10.510 593 2HB ASP 79 1HB ASP 79 -6.774 10.452 10.029 594 HA PRO 80 HA PRO 80 -3.187 7.716 8.008 595 1HB PRO 80 2HB PRO 80 -0.554 7.670 9.178 596 2HB PRO 80 1HB PRO 80 -1.001 7.997 7.501 597 1HG PRO 80 2HG PRO 80 -0.001 9.856 9.409 598 2HG PRO 80 1HG PRO 80 -0.573 10.202 7.774 599 1HD PRO 80 2HD PRO 80 -1.871 10.799 10.318 600 2HD PRO 80 1HD PRO 80 -2.348 11.313 8.681 601 H GLY 81 H GLY 81 -3.527 8.446 11.248 602 1HA GLY 81 2HA GLY 81 -2.868 5.686 12.173 603 2HA GLY 81 1HA GLY 81 -3.152 7.074 13.225 604 H LYS 82 H LYS 82 -5.529 7.903 11.621 605 HA LYS 82 HA LYS 82 -7.450 5.986 12.846 606 1HB LYS 82 2HB LYS 82 -7.805 8.793 11.757 607 2HB LYS 82 1HB LYS 82 -9.112 7.814 12.420 608 1HG LYS 82 2HG LYS 82 -6.596 8.403 13.991 609 2HG LYS 82 1HG LYS 82 -7.993 9.478 14.028 610 1HD LYS 82 2HD LYS 82 -9.354 7.336 14.606 611 2HD LYS 82 1HD LYS 82 -7.786 6.633 15.003 612 1HE LYS 82 2HE LYS 82 -9.106 9.044 16.257 613 2HE LYS 82 1HE LYS 82 -8.608 7.547 17.044 614 1HZ LYS 82 1HZ LYS 82 -6.640 9.264 15.671 615 2HZ LYS 82 2HZ LYS 82 -6.382 8.109 16.891 616 3HZ LYS 82 3HZ LYS 82 -7.113 9.596 17.266 617 H THR 83 H THR 83 -9.118 5.036 11.587 618 HA THR 83 HA THR 83 -8.457 4.792 8.719 619 HB THR 83 HB THR 83 -10.228 3.028 8.743 620 HG1 THR 83 1HG THR 83 -10.367 3.023 11.479 621 1HG2 THR 83 1HG2 THR 83 -8.197 2.809 10.983 622 2HG2 THR 83 2HG2 THR 83 -7.881 2.472 9.281 623 3HG2 THR 83 3HG2 THR 83 -9.004 1.458 10.187 624 H CYS 84 H CYS 84 -10.092 5.149 7.060 625 HA CYS 84 HA CYS 84 -11.840 7.438 7.723 626 1HB CYS 84 2HB CYS 84 -10.396 6.544 5.407 627 2HB CYS 84 1HB CYS 84 -12.100 6.676 4.980 628 H ASP 85 H ASP 85 -13.868 7.062 5.821 629 HA ASP 85 HA ASP 85 -15.568 5.166 7.254 630 1HB ASP 85 2HB ASP 85 -16.065 6.927 4.836 631 2HB ASP 85 1HB ASP 85 -17.303 5.933 5.604 632 H VAL 86 H VAL 86 -16.473 3.259 6.391 633 HA VAL 86 HA VAL 86 -15.338 2.314 3.789 634 HB VAL 86 HB VAL 86 -15.700 0.599 6.260 635 1HG1 VAL 86 1HG1 VAL 86 -15.814 -0.827 4.398 636 2HG1 VAL 86 2HG1 VAL 86 -14.097 -0.860 4.798 637 3HG1 VAL 86 3HG1 VAL 86 -14.672 0.139 3.464 638 1HG2 VAL 86 1HG2 VAL 86 -13.901 2.174 6.679 639 2HG2 VAL 86 2HG2 VAL 86 -13.215 1.879 5.081 640 3HG2 VAL 86 3HG2 VAL 86 -13.184 0.606 6.302 641 H THR 87 H THR 87 -16.655 0.399 2.945 642 HA THR 87 HA THR 87 -19.462 0.398 3.911 643 HB THR 87 HB THR 87 -18.658 0.983 1.045 644 HG1 THR 87 1HG THR 87 -19.920 2.914 1.577 645 1HG2 THR 87 1HG2 THR 87 -20.622 -0.416 1.056 646 2HG2 THR 87 2HG2 THR 87 -21.149 1.239 0.753 647 3HG2 THR 87 3HG2 THR 87 -21.349 0.529 2.355 648 H GLY 88 H GLY 88 -17.004 -0.986 1.770 649 1HA GLY 88 2HA GLY 88 -17.533 -3.667 2.507 650 2HA GLY 88 1HA GLY 88 -18.466 -3.339 1.045 651 H TRP 89 H TRP 89 -16.954 -5.035 0.146 652 HA TRP 89 HA TRP 89 -14.488 -3.705 -0.898 653 1HB TRP 89 2HB TRP 89 -14.513 -6.656 -0.299 654 2HB TRP 89 1HB TRP 89 -13.136 -5.565 -0.455 655 HD1 TRP 89 HD TRP 89 -13.504 -3.379 1.520 656 HE1 TRP 89 1HE TRP 89 -13.765 -3.771 4.056 657 HE3 TRP 89 3HE TRP 89 -15.042 -8.248 1.507 658 HZ2 TRP 89 2HZ TRP 89 -14.523 -5.874 5.842 659 HZ3 TRP 89 3HZ TRP 89 -15.524 -9.421 3.635 660 HH2 TRP 89 HH TRP 89 -15.267 -8.241 5.802 661 H VAL 90 H VAL 90 -13.973 -4.277 -3.052 662 HA VAL 90 HA VAL 90 -15.731 -6.229 -4.429 663 HB VAL 90 HB VAL 90 -15.379 -3.419 -5.493 664 1HG1 VAL 90 1HG1 VAL 90 -17.088 -4.066 -7.063 665 2HG1 VAL 90 2HG1 VAL 90 -17.394 -5.571 -6.193 666 3HG1 VAL 90 3HG1 VAL 90 -15.875 -5.346 -7.061 667 1HG2 VAL 90 1HG2 VAL 90 -17.663 -4.627 -3.904 668 2HG2 VAL 90 2HG2 VAL 90 -17.782 -3.118 -4.808 669 3HG2 VAL 90 3HG2 VAL 90 -16.672 -3.243 -3.444 670 H LEU 91 H LEU 91 -14.635 -7.288 -6.052 671 HA LEU 91 HA LEU 91 -11.777 -6.810 -6.307 672 1HB LEU 91 2HB LEU 91 -13.626 -8.644 -7.864 673 2HB LEU 91 1HB LEU 91 -11.865 -8.680 -7.940 674 HG LEU 91 HG LEU 91 -13.197 -8.881 -5.255 675 1HD1 LEU 91 1HD1 LEU 91 -13.263 -11.364 -5.544 676 2HD1 LEU 91 2HD1 LEU 91 -12.908 -11.142 -7.257 677 3HD1 LEU 91 3HD1 LEU 91 -14.415 -10.523 -6.580 678 1HD2 LEU 91 1HD2 LEU 91 -10.675 -8.704 -5.659 679 2HD2 LEU 91 2HD2 LEU 91 -10.774 -10.309 -6.379 680 3HD2 LEU 91 3HD2 LEU 91 -11.200 -10.077 -4.685 Start of MODEL 9 1 1H GLN 1 1HT GLN 1 -2.967 -6.377 -11.181 2 2H GLN 1 2HT GLN 1 -3.464 -6.849 -12.736 3 3H GLN 1 3HT GLN 1 -4.594 -6.221 -11.633 4 HA GLN 1 HA GLN 1 -2.832 -4.849 -13.424 5 1HB GLN 1 2HB GLN 1 -5.447 -4.744 -12.889 6 2HB GLN 1 1HB GLN 1 -4.920 -3.529 -11.726 7 1HG GLN 1 2HG GLN 1 -3.799 -2.273 -13.512 8 2HG GLN 1 1HG GLN 1 -4.252 -3.508 -14.687 9 1HE2 GLN 1 1HE2 GLN 1 -6.218 -3.176 -15.748 10 2HE2 GLN 1 2HE2 GLN 1 -7.438 -2.121 -15.219 11 H CYS 2 H CYS 2 -0.825 -4.362 -12.566 12 HA CYS 2 HA CYS 2 -0.588 -3.400 -9.791 13 1HB CYS 2 2HB CYS 2 1.111 -4.911 -10.945 14 2HB CYS 2 1HB CYS 2 1.581 -3.503 -11.898 15 H TYR 3 H TYR 3 0.893 -1.373 -9.538 16 HA TYR 3 HA TYR 3 0.274 0.689 -11.597 17 1HB TYR 3 2HB TYR 3 -1.503 0.927 -9.955 18 2HB TYR 3 1HB TYR 3 -0.337 0.897 -8.633 19 HD1 TYR 3 1HD TYR 3 -0.747 2.735 -11.891 20 HD2 TYR 3 2HD TYR 3 0.128 2.974 -7.691 21 HE1 TYR 3 1HE TYR 3 -0.465 5.190 -12.088 22 HE2 TYR 3 2HE TYR 3 0.406 5.430 -7.890 23 HH TYR 3 HH TYR 3 0.102 7.212 -9.230 24 H PHE 4 H PHE 4 1.682 2.601 -11.381 25 HA PHE 4 HA PHE 4 4.264 1.909 -10.033 26 1HB PHE 4 2HB PHE 4 3.564 3.235 -12.607 27 2HB PHE 4 1HB PHE 4 4.959 3.885 -11.747 28 HD1 PHE 4 1HD PHE 4 3.491 0.764 -13.153 29 HD2 PHE 4 2HD PHE 4 7.026 2.706 -11.674 30 HE1 PHE 4 1HE PHE 4 4.870 -1.138 -13.948 31 HE2 PHE 4 2HE PHE 4 8.403 0.804 -12.468 32 HZ PHE 4 HZ PHE 4 7.326 -1.118 -13.606 33 H ILE 5 H ILE 5 5.363 3.575 -8.887 34 HA ILE 5 HA ILE 5 3.804 6.053 -8.324 35 HB ILE 5 HB ILE 5 4.915 4.096 -6.306 36 1HG1 ILE 5 2HG1 ILE 5 2.187 5.396 -6.416 37 2HG1 ILE 5 1HG1 ILE 5 2.539 3.908 -7.295 38 1HG2 ILE 5 1HG2 ILE 5 4.113 6.996 -5.991 39 2HG2 ILE 5 2HG2 ILE 5 5.619 6.226 -5.489 40 3HG2 ILE 5 3HG2 ILE 5 4.118 5.868 -4.634 41 1HD1 ILE 5 1HD1 ILE 5 2.987 4.264 -4.320 42 2HD1 ILE 5 2HD1 ILE 5 3.138 2.767 -5.241 43 3HD1 ILE 5 3HD1 ILE 5 1.554 3.513 -5.021 44 HA PRO 6 HA PRO 6 8.175 7.079 -9.321 45 1HB PRO 6 2HB PRO 6 7.323 9.813 -9.643 46 2HB PRO 6 1HB PRO 6 7.824 8.668 -10.890 47 1HG PRO 6 2HG PRO 6 5.191 9.646 -10.391 48 2HG PRO 6 1HG PRO 6 5.683 8.435 -11.579 49 1HD PRO 6 2HD PRO 6 4.220 8.040 -9.101 50 2HD PRO 6 1HD PRO 6 4.612 6.835 -10.354 51 H ASN 7 H ASN 7 9.744 7.894 -7.942 52 HA ASN 7 HA ASN 7 9.316 8.307 -5.239 53 1HB ASN 7 2HB ASN 7 11.550 8.120 -6.450 54 2HB ASN 7 1HB ASN 7 11.410 9.845 -6.791 55 1HD2 ASN 7 1HD2 ASN 7 11.166 7.606 -3.962 56 2HD2 ASN 7 2HD2 ASN 7 11.907 8.676 -2.872 57 H GLN 8 H GLN 8 8.368 9.881 -4.047 58 HA GLN 8 HA GLN 8 8.032 12.592 -5.277 59 1HB GLN 8 2HB GLN 8 5.836 12.665 -3.989 60 2HB GLN 8 1HB GLN 8 5.863 11.569 -5.370 61 1HG GLN 8 2HG GLN 8 6.572 10.603 -2.599 62 2HG GLN 8 1HG GLN 8 4.895 10.667 -3.141 63 1HE2 GLN 8 1HE2 GLN 8 7.553 8.621 -3.012 64 2HE2 GLN 8 2HE2 GLN 8 7.138 7.566 -4.276 65 H SER 9 H SER 9 9.380 10.820 -2.814 66 HA SER 9 HA SER 9 8.892 12.271 -0.454 67 1HB SER 9 2HB SER 9 10.737 11.175 0.410 68 2HB SER 9 1HB SER 9 10.467 10.186 -1.022 69 HG SER 9 HG SER 9 11.993 11.506 -2.107 70 H LEU 10 H LEU 10 11.020 13.580 0.499 71 HA LEU 10 HA LEU 10 11.027 16.052 -1.057 72 1HB LEU 10 2HB LEU 10 12.189 15.202 1.589 73 2HB LEU 10 1HB LEU 10 12.653 16.740 0.859 74 HG LEU 10 HG LEU 10 10.259 17.378 0.723 75 1HD1 LEU 10 1HD1 LEU 10 9.129 15.296 0.567 76 2HD1 LEU 10 2HD1 LEU 10 8.696 15.919 2.159 77 3HD1 LEU 10 3HD1 LEU 10 9.926 14.664 2.008 78 1HD2 LEU 10 1HD2 LEU 10 11.407 16.579 3.406 79 2HD2 LEU 10 2HD2 LEU 10 9.890 17.468 3.268 80 3HD2 LEU 10 3HD2 LEU 10 11.387 18.179 2.663 81 H LYS 11 H LYS 11 13.550 13.798 0.070 82 HA LYS 11 HA LYS 11 15.260 14.755 -2.194 83 1HB LYS 11 2HB LYS 11 15.980 13.936 0.623 84 2HB LYS 11 1HB LYS 11 17.180 13.959 -0.668 85 1HG LYS 11 2HG LYS 11 16.926 16.300 -1.009 86 2HG LYS 11 1HG LYS 11 15.433 16.352 -0.071 87 1HD LYS 11 2HD LYS 11 16.777 15.654 1.950 88 2HD LYS 11 1HD LYS 11 18.234 15.863 0.977 89 1HE LYS 11 2HE LYS 11 17.905 17.919 2.177 90 2HE LYS 11 1HE LYS 11 17.445 18.229 0.503 91 1HZ LYS 11 1HZ LYS 11 15.893 18.906 2.485 92 2HZ LYS 11 2HZ LYS 11 15.381 17.291 2.355 93 3HZ LYS 11 3HZ LYS 11 15.247 18.338 1.024 94 HA PRO 12 HA PRO 12 15.172 10.606 -3.750 95 1HB PRO 12 2HB PRO 12 17.997 10.512 -4.306 96 2HB PRO 12 1HB PRO 12 16.670 10.790 -5.437 97 1HG PRO 12 2HG PRO 12 18.578 12.700 -4.402 98 2HG PRO 12 1HG PRO 12 17.334 12.943 -5.633 99 1HD PRO 12 2HD PRO 12 17.338 13.993 -2.985 100 2HD PRO 12 1HD PRO 12 15.994 14.046 -4.152 101 H ASN 13 H ASN 13 16.983 8.576 -3.603 102 HA ASN 13 HA ASN 13 17.792 6.930 -2.141 103 1HB ASN 13 2HB ASN 13 18.584 9.183 -0.292 104 2HB ASN 13 1HB ASN 13 19.402 7.642 -0.560 105 1HD2 ASN 13 1HD2 ASN 13 19.274 10.938 -1.564 106 2HD2 ASN 13 2HD2 ASN 13 20.319 10.804 -2.896 107 H GLU 14 H GLU 14 15.052 7.519 -1.888 108 HA GLU 14 HA GLU 14 14.644 6.804 0.958 109 1HB GLU 14 2HB GLU 14 13.432 9.192 -0.434 110 2HB GLU 14 1HB GLU 14 12.637 8.430 0.946 111 1HG GLU 14 2HG GLU 14 14.667 8.747 2.298 112 2HG GLU 14 1HG GLU 14 15.468 9.506 0.924 113 H CYS 15 H CYS 15 12.178 6.304 1.240 114 HA CYS 15 HA CYS 15 10.925 5.251 -1.220 115 1HB CYS 15 2HB CYS 15 12.152 3.558 0.917 116 2HB CYS 15 1HB CYS 15 10.621 3.020 0.227 117 H GLN 16 H GLN 16 9.473 7.026 -0.446 118 HA GLN 16 HA GLN 16 7.853 6.302 1.948 119 1HB GLN 16 2HB GLN 16 8.608 8.603 1.914 120 2HB GLN 16 1HB GLN 16 8.002 8.824 0.273 121 1HG GLN 16 2HG GLN 16 5.725 8.641 0.988 122 2HG GLN 16 1HG GLN 16 6.206 8.059 2.584 123 1HE2 GLN 16 1HE2 GLN 16 5.807 9.703 4.072 124 2HE2 GLN 16 2HE2 GLN 16 6.169 11.343 3.831 125 H ASP 17 H ASP 17 5.678 5.782 1.759 126 HA ASP 17 HA ASP 17 4.499 5.791 -0.990 127 1HB ASP 17 2HB ASP 17 5.338 3.488 0.165 128 2HB ASP 17 1HB ASP 17 3.717 3.582 0.853 129 H LEU 18 H LEU 18 2.448 6.630 -1.030 130 HA LEU 18 HA LEU 18 0.586 7.805 -0.190 131 1HB LEU 18 2HB LEU 18 0.720 5.433 1.700 132 2HB LEU 18 1HB LEU 18 -0.644 6.545 1.612 133 HG LEU 18 HG LEU 18 -0.674 6.002 -0.922 134 1HD1 LEU 18 1HD1 LEU 18 1.132 3.843 0.175 135 2HD1 LEU 18 2HD1 LEU 18 1.357 4.838 -1.263 136 3HD1 LEU 18 3HD1 LEU 18 0.138 3.565 -1.254 137 1HD2 LEU 18 1HD2 LEU 18 -1.915 3.813 -0.417 138 2HD2 LEU 18 2HD2 LEU 18 -2.474 5.246 0.446 139 3HD2 LEU 18 3HD2 LEU 18 -1.454 4.064 1.267 140 H LYS 19 H LYS 19 0.008 7.486 2.846 141 HA LYS 19 HA LYS 19 2.014 9.523 3.744 142 1HB LYS 19 2HB LYS 19 -0.920 9.424 3.877 143 2HB LYS 19 1HB LYS 19 -0.184 9.746 5.444 144 1HG LYS 19 2HG LYS 19 0.698 11.256 2.985 145 2HG LYS 19 1HG LYS 19 -0.713 11.771 3.907 146 1HD LYS 19 2HD LYS 19 0.570 12.144 5.874 147 2HD LYS 19 1HD LYS 19 1.955 11.260 5.233 148 1HE LYS 19 2HE LYS 19 2.249 12.991 3.492 149 2HE LYS 19 1HE LYS 19 0.879 13.882 4.153 150 1HZ LYS 19 1HZ LYS 19 2.399 13.490 6.331 151 2HZ LYS 19 2HZ LYS 19 2.434 14.894 5.374 152 3HZ LYS 19 3HZ LYS 19 3.586 13.669 5.133 153 H GLY 20 H GLY 20 0.930 6.365 4.167 154 1HA GLY 20 2HA GLY 20 1.437 6.219 7.057 155 2HA GLY 20 1HA GLY 20 1.033 4.864 6.005 156 H VAL 21 H VAL 21 3.004 4.927 4.102 157 HA VAL 21 HA VAL 21 5.284 3.912 5.590 158 HB VAL 21 HB VAL 21 4.927 4.433 2.627 159 1HG1 VAL 21 1HG1 VAL 21 7.287 4.315 3.147 160 2HG1 VAL 21 2HG1 VAL 21 6.814 2.773 2.437 161 3HG1 VAL 21 3HG1 VAL 21 7.035 2.909 4.181 162 1HG2 VAL 21 1HG2 VAL 21 4.488 2.015 2.514 163 2HG2 VAL 21 2HG2 VAL 21 3.332 2.796 3.593 164 3HG2 VAL 21 3HG2 VAL 21 4.688 1.887 4.262 165 H SER 22 H SER 22 7.493 4.742 5.365 166 HA SER 22 HA SER 22 8.252 7.171 4.167 167 1HB SER 22 2HB SER 22 8.273 8.532 6.436 168 2HB SER 22 1HB SER 22 6.828 8.518 5.430 169 HG SER 22 HG SER 22 5.849 7.227 6.830 170 H HIS 23 H HIS 23 10.097 5.704 4.013 171 HA HIS 23 HA HIS 23 11.914 5.990 6.324 172 1HB HIS 23 2HB HIS 23 10.667 3.443 5.472 173 2HB HIS 23 1HB HIS 23 12.414 3.365 5.683 174 HD1 HIS 23 1HD HIS 23 13.291 3.307 8.050 175 HD2 HIS 23 2HD HIS 23 9.257 4.348 7.892 176 HE1 HIS 23 1HE HIS 23 12.469 3.351 10.445 177 HA PRO 24 HA PRO 24 14.988 6.613 3.219 178 1HB PRO 24 2HB PRO 24 16.898 4.734 4.281 179 2HB PRO 24 1HB PRO 24 16.882 6.492 4.449 180 1HG PRO 24 2HG PRO 24 16.224 4.486 6.430 181 2HG PRO 24 1HG PRO 24 16.359 6.235 6.637 182 1HD PRO 24 2HD PRO 24 13.966 4.705 6.690 183 2HD PRO 24 1HD PRO 24 14.088 6.481 6.640 184 H LEU 25 H LEU 25 16.256 5.432 1.489 185 HA LEU 25 HA LEU 25 14.715 3.453 0.187 186 1HB LEU 25 2HB LEU 25 16.675 4.972 -0.685 187 2HB LEU 25 1HB LEU 25 17.694 3.610 -0.220 188 HG LEU 25 HG LEU 25 15.299 3.435 -2.074 189 1HD1 LEU 25 1HD1 LEU 25 17.023 3.043 -3.826 190 2HD1 LEU 25 2HD1 LEU 25 18.280 3.386 -2.637 191 3HD1 LEU 25 3HD1 LEU 25 17.150 4.653 -3.117 192 1HD2 LEU 25 1HD2 LEU 25 17.281 1.439 -0.984 193 2HD2 LEU 25 2HD2 LEU 25 16.508 1.166 -2.545 194 3HD2 LEU 25 3HD2 LEU 25 15.525 1.309 -1.089 195 H ASN 26 H ASN 26 14.235 1.746 1.655 196 HA ASN 26 HA ASN 26 16.371 0.304 2.995 197 1HB ASN 26 2HB ASN 26 13.843 -1.154 2.784 198 2HB ASN 26 1HB ASN 26 14.682 -0.577 4.223 199 1HD2 ASN 26 1HD2 ASN 26 13.244 0.723 5.368 200 2HD2 ASN 26 2HD2 ASN 26 12.239 1.904 4.678 201 H SER 27 H SER 27 13.888 -1.022 0.798 202 HA SER 27 HA SER 27 15.643 -1.976 -1.218 203 1HB SER 27 2HB SER 27 15.351 -3.724 1.202 204 2HB SER 27 1HB SER 27 15.445 -4.489 -0.380 205 HG SER 27 HG SER 27 17.449 -3.774 1.006 206 H VAL 28 H VAL 28 14.389 -4.487 -1.731 207 HA VAL 28 HA VAL 28 11.589 -3.567 -2.255 208 HB VAL 28 HB VAL 28 12.255 -4.034 -4.382 209 1HG1 VAL 28 1HG1 VAL 28 14.169 -5.621 -4.875 210 2HG1 VAL 28 2HG1 VAL 28 14.371 -5.801 -3.133 211 3HG1 VAL 28 3HG1 VAL 28 14.597 -4.223 -3.889 212 1HG2 VAL 28 1HG2 VAL 28 12.138 -6.936 -3.520 213 2HG2 VAL 28 2HG2 VAL 28 11.752 -6.267 -5.105 214 3HG2 VAL 28 3HG2 VAL 28 10.699 -5.937 -3.731 215 H TRP 29 H TRP 29 9.884 -5.079 -1.906 216 HA TRP 29 HA TRP 29 10.545 -7.627 -0.560 217 1HB TRP 29 2HB TRP 29 9.128 -7.091 1.398 218 2HB TRP 29 1HB TRP 29 10.511 -6.003 1.286 219 HD1 TRP 29 HD TRP 29 6.727 -6.110 0.841 220 HE1 TRP 29 1HE TRP 29 5.832 -3.695 0.727 221 HE3 TRP 29 3HE TRP 29 11.139 -3.542 0.669 222 HZ2 TRP 29 2HZ TRP 29 6.854 -1.023 0.581 223 HZ3 TRP 29 3HZ TRP 29 11.148 -1.067 0.545 224 HH2 TRP 29 HH TRP 29 9.014 0.193 0.501 225 H LYS 30 H LYS 30 9.100 -9.156 -1.158 226 HA LYS 30 HA LYS 30 6.521 -8.250 -2.383 227 1HB LYS 30 2HB LYS 30 8.184 -10.738 -2.879 228 2HB LYS 30 1HB LYS 30 6.588 -10.457 -3.576 229 1HG LYS 30 2HG LYS 30 7.388 -8.459 -4.718 230 2HG LYS 30 1HG LYS 30 8.964 -8.610 -3.942 231 1HD LYS 30 2HD LYS 30 9.391 -10.706 -5.091 232 2HD LYS 30 1HD LYS 30 7.761 -10.711 -5.764 233 1HE LYS 30 2HE LYS 30 8.216 -8.854 -7.170 234 2HE LYS 30 1HE LYS 30 9.682 -8.438 -6.283 235 1HZ LYS 30 1HZ LYS 30 9.354 -10.233 -8.452 236 2HZ LYS 30 2HZ LYS 30 10.017 -11.044 -7.114 237 3HZ LYS 30 3HZ LYS 30 10.785 -9.665 -7.742 238 H THR 31 H THR 31 4.636 -9.595 -1.904 239 HA THR 31 HA THR 31 4.934 -11.205 0.604 240 HB THR 31 HB THR 31 2.923 -10.266 1.458 241 HG1 THR 31 1HG THR 31 2.125 -10.221 -0.910 242 1HG2 THR 31 1HG2 THR 31 3.497 -7.993 1.712 243 2HG2 THR 31 2HG2 THR 31 4.171 -7.891 0.087 244 3HG2 THR 31 3HG2 THR 31 5.033 -8.774 1.347 245 H LYS 32 H LYS 32 5.009 -13.125 -0.734 246 HA LYS 32 HA LYS 32 4.077 -14.867 -2.023 247 1HB LYS 32 2HB LYS 32 1.684 -13.979 -0.383 248 2HB LYS 32 1HB LYS 32 1.801 -15.513 -1.247 249 1HG LYS 32 2HG LYS 32 3.890 -16.007 0.080 250 2HG LYS 32 1HG LYS 32 3.544 -14.569 1.044 251 1HD LYS 32 2HD LYS 32 1.326 -15.518 1.632 252 2HD LYS 32 1HD LYS 32 1.725 -16.974 0.719 253 1HE LYS 32 2HE LYS 32 2.234 -17.453 3.013 254 2HE LYS 32 1HE LYS 32 3.778 -17.203 2.200 255 1HZ LYS 32 1HZ LYS 32 2.469 -15.595 4.222 256 2HZ LYS 32 2HZ LYS 32 3.178 -14.716 2.953 257 3HZ LYS 32 3HZ LYS 32 4.121 -15.780 3.882 258 H ASP 33 H ASP 33 0.888 -13.576 -1.962 259 HA ASP 33 HA ASP 33 1.206 -12.401 -4.684 260 1HB ASP 33 2HB ASP 33 -0.679 -14.624 -3.874 261 2HB ASP 33 1HB ASP 33 -0.955 -13.624 -5.301 262 H CYS 34 H CYS 34 0.107 -12.032 -1.580 263 HA CYS 34 HA CYS 34 -2.440 -10.750 -2.080 264 1HB CYS 34 2HB CYS 34 -0.533 -10.736 0.266 265 2HB CYS 34 1HB CYS 34 -2.014 -9.778 0.261 266 H GLU 35 H GLU 35 0.866 -9.549 -1.547 267 HA GLU 35 HA GLU 35 0.149 -7.109 -3.067 268 1HB GLU 35 2HB GLU 35 -0.269 -6.526 -0.707 269 2HB GLU 35 1HB GLU 35 1.366 -7.038 -0.288 270 1HG GLU 35 2HG GLU 35 2.346 -5.295 -1.604 271 2HG GLU 35 1HG GLU 35 0.799 -4.905 -2.356 272 H GLU 36 H GLU 36 2.080 -5.937 -3.788 273 HA GLU 36 HA GLU 36 4.684 -7.290 -3.406 274 1HB GLU 36 2HB GLU 36 3.247 -7.067 -6.057 275 2HB GLU 36 1HB GLU 36 4.998 -7.243 -5.957 276 1HG GLU 36 2HG GLU 36 4.690 -9.317 -4.621 277 2HG GLU 36 1HG GLU 36 2.943 -9.157 -4.812 278 H CYS 37 H CYS 37 5.604 -5.423 -2.546 279 HA CYS 37 HA CYS 37 5.491 -2.970 -4.254 280 1HB CYS 37 2HB CYS 37 5.569 -3.360 -1.280 281 2HB CYS 37 1HB CYS 37 6.236 -1.885 -1.980 282 H THR 38 H THR 38 7.376 -2.225 -5.058 283 HA THR 38 HA THR 38 9.927 -3.306 -3.920 284 HB THR 38 HB THR 38 10.819 -3.524 -6.142 285 HG1 THR 38 1HG THR 38 8.360 -2.532 -7.124 286 1HG2 THR 38 1HG2 THR 38 8.011 -4.555 -6.465 287 2HG2 THR 38 2HG2 THR 38 9.082 -5.241 -5.243 288 3HG2 THR 38 3HG2 THR 38 9.529 -5.313 -6.948 289 H CYS 39 H CYS 39 11.776 -1.862 -4.225 290 HA CYS 39 HA CYS 39 10.936 1.005 -4.417 291 1HB CYS 39 2HB CYS 39 12.867 -0.471 -2.702 292 2HB CYS 39 1HB CYS 39 13.382 1.125 -3.250 293 H GLY 40 H GLY 40 11.216 1.289 -6.657 294 1HA GLY 40 2HA GLY 40 13.610 0.377 -8.031 295 2HA GLY 40 1HA GLY 40 12.390 1.465 -8.694 296 H GLN 41 H GLN 41 15.547 1.428 -8.142 297 HA GLN 41 HA GLN 41 16.200 3.645 -6.541 298 1HB GLN 41 2HB GLN 41 17.488 2.679 -9.110 299 2HB GLN 41 1HB GLN 41 18.208 3.881 -8.038 300 1HG GLN 41 2HG GLN 41 17.955 2.158 -6.165 301 2HG GLN 41 1HG GLN 41 17.603 0.981 -7.431 302 1HE2 GLN 41 1HE2 GLN 41 19.347 0.456 -8.960 303 2HE2 GLN 41 2HE2 GLN 41 20.962 0.832 -8.601 304 H ASP 42 H ASP 42 14.215 3.625 -9.233 305 HA ASP 42 HA ASP 42 14.643 6.560 -9.658 306 1HB ASP 42 2HB ASP 42 13.689 6.093 -11.988 307 2HB ASP 42 1HB ASP 42 15.327 5.511 -11.690 308 H ALA 43 H ALA 43 12.443 3.948 -9.031 309 HA ALA 43 HA ALA 43 10.331 5.859 -8.364 310 1HB ALA 43 1HB ALA 43 9.907 5.678 -10.749 311 2HB ALA 43 2HB ALA 43 8.655 4.781 -9.890 312 3HB ALA 43 3HB ALA 43 9.983 3.919 -10.666 313 H ILE 44 H ILE 44 8.257 4.460 -7.770 314 HA ILE 44 HA ILE 44 9.193 1.964 -6.397 315 HB ILE 44 HB ILE 44 7.053 3.841 -5.362 316 1HG1 ILE 44 2HG1 ILE 44 10.022 3.733 -4.758 317 2HG1 ILE 44 1HG1 ILE 44 9.103 5.113 -5.357 318 1HG2 ILE 44 1HG2 ILE 44 7.201 2.561 -3.362 319 2HG2 ILE 44 2HG2 ILE 44 8.712 1.803 -3.866 320 3HG2 ILE 44 3HG2 ILE 44 7.199 1.369 -4.661 321 1HD1 ILE 44 1HD1 ILE 44 9.359 5.522 -3.030 322 2HD1 ILE 44 2HD1 ILE 44 8.994 3.847 -2.615 323 3HD1 ILE 44 3HD1 ILE 44 7.714 4.911 -3.200 324 H SER 45 H SER 45 8.016 0.183 -6.930 325 HA SER 45 HA SER 45 5.433 0.609 -8.383 326 1HB SER 45 2HB SER 45 7.302 -0.561 -9.610 327 2HB SER 45 1HB SER 45 7.210 -1.848 -8.410 328 HG SER 45 HG SER 45 5.018 -0.935 -9.969 329 H CYS 46 H CYS 46 3.590 -0.356 -7.584 330 HA CYS 46 HA CYS 46 3.853 -2.334 -5.382 331 1HB CYS 46 2HB CYS 46 2.606 0.388 -5.194 332 2HB CYS 46 1HB CYS 46 1.899 -0.940 -4.274 333 H CYS 47 H CYS 47 2.470 -3.983 -5.748 334 HA CYS 47 HA CYS 47 0.132 -3.486 -7.556 335 1HB CYS 47 2HB CYS 47 1.331 -6.203 -7.047 336 2HB CYS 47 1HB CYS 47 0.383 -5.653 -8.428 337 H ASN 48 H ASN 48 -1.847 -4.616 -7.015 338 HA ASN 48 HA ASN 48 -1.993 -5.748 -4.264 339 1HB ASN 48 2HB ASN 48 -4.139 -4.392 -3.962 340 2HB ASN 48 1HB ASN 48 -2.635 -3.471 -3.886 341 1HD2 ASN 48 1HD2 ASN 48 -5.643 -3.778 -5.560 342 2HD2 ASN 48 2HD2 ASN 48 -5.322 -2.652 -6.790 343 H THR 49 H THR 49 -3.056 -7.660 -4.395 344 HA THR 49 HA THR 49 -4.877 -8.111 -6.722 345 HB THR 49 HB THR 49 -3.700 -10.224 -4.907 346 HG1 THR 49 1HG THR 49 -2.002 -9.075 -5.831 347 1HG2 THR 49 1HG2 THR 49 -5.593 -10.893 -6.322 348 2HG2 THR 49 2HG2 THR 49 -4.103 -11.652 -6.882 349 3HG2 THR 49 3HG2 THR 49 -4.764 -10.261 -7.743 350 H ALA 50 H ALA 50 -4.860 -7.637 -3.337 351 HA ALA 50 HA ALA 50 -7.112 -9.285 -2.625 352 1HB ALA 50 1HB ALA 50 -5.766 -8.503 -0.827 353 2HB ALA 50 2HB ALA 50 -7.284 -7.618 -0.678 354 3HB ALA 50 3HB ALA 50 -5.869 -6.831 -1.376 355 H ALA 51 H ALA 51 -9.294 -8.478 -2.103 356 HA ALA 51 HA ALA 51 -10.605 -7.183 -4.204 357 1HB ALA 51 1HB ALA 51 -11.487 -6.920 -1.323 358 2HB ALA 51 2HB ALA 51 -11.640 -8.429 -2.223 359 3HB ALA 51 3HB ALA 51 -12.500 -6.989 -2.765 360 H ILE 52 H ILE 52 -11.878 -5.003 -3.810 361 HA ILE 52 HA ILE 52 -9.976 -2.968 -2.727 362 HB ILE 52 HB ILE 52 -11.611 -2.682 -5.261 363 1HG1 ILE 52 2HG1 ILE 52 -9.205 -2.695 -6.265 364 2HG1 ILE 52 1HG1 ILE 52 -8.743 -3.490 -4.763 365 1HG2 ILE 52 1HG2 ILE 52 -10.352 -0.643 -5.587 366 2HG2 ILE 52 2HG2 ILE 52 -9.356 -0.979 -4.172 367 3HG2 ILE 52 3HG2 ILE 52 -11.065 -0.591 -3.975 368 1HD1 ILE 52 1HD1 ILE 52 -9.904 -4.674 -7.074 369 2HD1 ILE 52 2HD1 ILE 52 -11.112 -4.768 -5.794 370 3HD1 ILE 52 3HD1 ILE 52 -9.509 -5.456 -5.545 371 HA PRO 53 HA PRO 53 -13.636 -1.792 -0.420 372 1HB PRO 53 2HB PRO 53 -12.709 0.924 -0.186 373 2HB PRO 53 1HB PRO 53 -12.683 -0.351 1.035 374 1HG PRO 53 2HG PRO 53 -10.469 0.738 -0.455 375 2HG PRO 53 1HG PRO 53 -10.436 -0.480 0.823 376 1HD PRO 53 2HD PRO 53 -9.959 -0.892 -1.963 377 2HD PRO 53 1HD PRO 53 -10.076 -2.137 -0.696 378 H THR 54 H THR 54 -15.567 -1.360 -1.379 379 HA THR 54 HA THR 54 -15.664 0.740 -3.515 380 HB THR 54 HB THR 54 -17.457 -0.501 -4.536 381 HG1 THR 54 1HG THR 54 -18.481 -2.103 -3.524 382 1HG2 THR 54 1HG2 THR 54 -15.493 -2.619 -3.663 383 2HG2 THR 54 2HG2 THR 54 -15.028 -1.321 -4.764 384 3HG2 THR 54 3HG2 THR 54 -16.301 -2.453 -5.222 385 H GLY 55 H GLY 55 -17.991 1.682 -3.675 386 1HA GLY 55 2HA GLY 55 -19.788 2.803 -2.649 387 2HA GLY 55 1HA GLY 55 -19.630 1.687 -1.292 388 H TYR 56 H TYR 56 -16.758 2.381 -0.933 389 HA TYR 56 HA TYR 56 -16.908 4.283 1.094 390 1HB TYR 56 2HB TYR 56 -14.863 3.148 0.979 391 2HB TYR 56 1HB TYR 56 -14.685 3.439 -0.750 392 HD1 TYR 56 1HD TYR 56 -15.186 5.545 2.327 393 HD2 TYR 56 2HD TYR 56 -12.972 4.915 -1.302 394 HE1 TYR 56 1HE TYR 56 -13.822 7.560 2.808 395 HE2 TYR 56 2HE TYR 56 -11.609 6.929 -0.820 396 HH TYR 56 HH TYR 56 -11.990 9.115 0.568 397 H ASP 57 H ASP 57 -17.606 6.358 1.005 398 HA ASP 57 HA ASP 57 -17.838 7.812 -1.482 399 1HB ASP 57 2HB ASP 57 -18.140 8.604 1.422 400 2HB ASP 57 1HB ASP 57 -18.353 9.757 0.103 401 H THR 58 H THR 58 -16.048 8.556 -2.522 402 HA THR 58 HA THR 58 -13.493 8.940 -1.350 403 HB THR 58 HB THR 58 -12.868 9.990 -3.407 404 HG1 THR 58 1HG THR 58 -14.991 10.422 -4.758 405 1HG2 THR 58 1HG2 THR 58 -13.702 8.445 -5.041 406 2HG2 THR 58 2HG2 THR 58 -15.190 8.191 -4.128 407 3HG2 THR 58 3HG2 THR 58 -13.658 7.580 -3.503 408 H ASN 59 H ASN 59 -14.038 10.130 0.639 409 HA ASN 59 HA ASN 59 -14.848 12.961 0.267 410 1HB ASN 59 2HB ASN 59 -15.935 11.768 2.090 411 2HB ASN 59 1HB ASN 59 -14.372 11.298 2.758 412 1HD2 ASN 59 1HD2 ASN 59 -14.860 14.519 1.383 413 2HD2 ASN 59 2HD2 ASN 59 -14.792 15.355 2.859 414 H LYS 60 H LYS 60 -12.245 11.205 2.009 415 HA LYS 60 HA LYS 60 -10.173 12.883 0.923 416 1HB LYS 60 2HB LYS 60 -11.508 14.343 2.672 417 2HB LYS 60 1HB LYS 60 -10.591 13.410 3.853 418 1HG LYS 60 2HG LYS 60 -9.126 15.177 3.502 419 2HG LYS 60 1HG LYS 60 -8.545 14.043 2.285 420 1HD LYS 60 2HD LYS 60 -8.768 15.958 0.988 421 2HD LYS 60 1HD LYS 60 -10.364 15.244 0.766 422 1HE LYS 60 2HE LYS 60 -11.090 16.629 2.807 423 2HE LYS 60 1HE LYS 60 -9.574 17.508 2.607 424 1HZ LYS 60 1HZ LYS 60 -11.460 17.129 0.362 425 2HZ LYS 60 2HZ LYS 60 -10.204 18.264 0.510 426 3HZ LYS 60 3HZ LYS 60 -11.615 18.427 1.443 427 H CYS 61 H CYS 61 -10.218 10.200 0.999 428 HA CYS 61 HA CYS 61 -8.070 9.567 2.946 429 1HB CYS 61 2HB CYS 61 -10.211 7.503 2.604 430 2HB CYS 61 1HB CYS 61 -9.158 7.809 3.983 431 H GLN 62 H GLN 62 -7.234 7.244 2.399 432 HA GLN 62 HA GLN 62 -7.396 6.770 -0.551 433 1HB GLN 62 2HB GLN 62 -5.304 8.003 0.011 434 2HB GLN 62 1HB GLN 62 -4.866 6.708 1.126 435 1HG GLN 62 2HG GLN 62 -4.562 5.146 -0.609 436 2HG GLN 62 1HG GLN 62 -5.507 6.097 -1.756 437 1HE2 GLN 62 1HE2 GLN 62 -2.981 7.442 0.377 438 2HE2 GLN 62 2HE2 GLN 62 -1.921 7.872 -0.877 439 H LYS 63 H LYS 63 -6.426 4.518 -1.052 440 HA LYS 63 HA LYS 63 -7.345 2.623 1.071 441 1HB LYS 63 2HB LYS 63 -7.749 1.035 -0.751 442 2HB LYS 63 1HB LYS 63 -8.591 2.549 -1.081 443 1HG LYS 63 2HG LYS 63 -6.516 3.239 -2.418 444 2HG LYS 63 1HG LYS 63 -6.018 1.550 -2.310 445 1HD LYS 63 2HD LYS 63 -8.196 0.879 -3.324 446 2HD LYS 63 1HD LYS 63 -8.600 2.584 -3.517 447 1HE LYS 63 2HE LYS 63 -6.061 1.404 -4.654 448 2HE LYS 63 1HE LYS 63 -7.575 1.418 -5.560 449 1HZ LYS 63 1HZ LYS 63 -6.712 3.401 -6.208 450 2HZ LYS 63 2HZ LYS 63 -5.860 3.649 -4.760 451 3HZ LYS 63 3HZ LYS 63 -7.536 3.924 -4.821 452 H ILE 64 H ILE 64 -5.991 0.922 1.666 453 HA ILE 64 HA ILE 64 -3.348 0.693 0.325 454 HB ILE 64 HB ILE 64 -3.436 2.261 2.462 455 1HG1 ILE 64 2HG1 ILE 64 -1.366 1.726 1.329 456 2HG1 ILE 64 1HG1 ILE 64 -1.122 1.477 3.056 457 1HG2 ILE 64 1HG2 ILE 64 -3.057 -0.435 3.777 458 2HG2 ILE 64 2HG2 ILE 64 -4.590 0.438 3.802 459 3HG2 ILE 64 3HG2 ILE 64 -3.162 1.144 4.554 460 1HD1 ILE 64 1HD1 ILE 64 -1.454 -0.585 0.887 461 2HD1 ILE 64 2HD1 ILE 64 -1.790 -0.991 2.571 462 3HD1 ILE 64 3HD1 ILE 64 -0.180 -0.453 2.097 463 H LEU 65 H LEU 65 -2.838 -1.433 0.057 464 HA LEU 65 HA LEU 65 -4.568 -3.451 1.345 465 1HB LEU 65 2HB LEU 65 -4.253 -3.852 -0.974 466 2HB LEU 65 1HB LEU 65 -2.524 -3.529 -0.880 467 HG LEU 65 HG LEU 65 -2.119 -5.581 0.308 468 1HD1 LEU 65 1HD1 LEU 65 -4.264 -7.100 0.632 469 2HD1 LEU 65 2HD1 LEU 65 -5.097 -5.547 0.672 470 3HD1 LEU 65 3HD1 LEU 65 -3.826 -5.899 1.844 471 1HD2 LEU 65 1HD2 LEU 65 -3.931 -5.788 -2.087 472 2HD2 LEU 65 2HD2 LEU 65 -3.360 -7.251 -1.288 473 3HD2 LEU 65 3HD2 LEU 65 -2.202 -6.111 -1.970 474 H ASN 66 H ASN 66 -3.908 -3.875 3.416 475 HA ASN 66 HA ASN 66 -1.080 -3.844 4.152 476 1HB ASN 66 2HB ASN 66 -2.941 -3.185 5.718 477 2HB ASN 66 1HB ASN 66 -3.432 -4.878 5.760 478 1HD2 ASN 66 1HD2 ASN 66 -0.082 -4.760 5.370 479 2HD2 ASN 66 2HD2 ASN 66 0.371 -4.932 6.997 480 H LYS 67 H LYS 67 0.266 -5.554 3.967 481 HA LYS 67 HA LYS 67 -0.787 -8.130 3.052 482 1HB LYS 67 2HB LYS 67 1.619 -8.771 2.965 483 2HB LYS 67 1HB LYS 67 1.291 -7.275 2.093 484 1HG LYS 67 2HG LYS 67 3.012 -6.420 3.321 485 2HG LYS 67 1HG LYS 67 1.827 -6.323 4.621 486 1HD LYS 67 2HD LYS 67 2.490 -8.627 5.337 487 2HD LYS 67 1HD LYS 67 3.749 -8.610 4.104 488 1HE LYS 67 2HE LYS 67 3.548 -6.987 6.624 489 2HE LYS 67 1HE LYS 67 4.927 -7.879 5.983 490 1HZ LYS 67 1HZ LYS 67 3.871 -5.257 5.156 491 2HZ LYS 67 2HZ LYS 67 4.764 -6.199 4.060 492 3HZ LYS 67 3HZ LYS 67 5.466 -5.699 5.524 493 H LYS 68 H LYS 68 -0.631 -6.793 6.050 494 HA LYS 68 HA LYS 68 0.621 -8.750 7.671 495 1HB LYS 68 2HB LYS 68 -0.301 -6.515 8.440 496 2HB LYS 68 1HB LYS 68 -1.907 -7.241 8.384 497 1HG LYS 68 2HG LYS 68 -0.847 -9.112 9.870 498 2HG LYS 68 1HG LYS 68 0.403 -7.912 10.197 499 1HD LYS 68 2HD LYS 68 -1.294 -6.327 10.989 500 2HD LYS 68 1HD LYS 68 -2.572 -7.482 10.611 501 1HE LYS 68 2HE LYS 68 -1.040 -9.052 12.179 502 2HE LYS 68 1HE LYS 68 -0.628 -7.482 12.869 503 1HZ LYS 68 1HZ LYS 68 -3.142 -7.101 12.864 504 2HZ LYS 68 2HZ LYS 68 -2.495 -8.135 14.046 505 3HZ LYS 68 3HZ LYS 68 -3.270 -8.782 12.680 506 H THR 69 H THR 69 -2.813 -8.471 6.742 507 HA THR 69 HA THR 69 -3.028 -11.445 7.012 508 HB THR 69 HB THR 69 -5.431 -10.970 7.781 509 HG1 THR 69 1HG THR 69 -4.305 -8.468 8.458 510 1HG2 THR 69 1HG2 THR 69 -3.004 -10.296 9.447 511 2HG2 THR 69 2HG2 THR 69 -3.892 -11.818 9.386 512 3HG2 THR 69 3HG2 THR 69 -4.622 -10.401 10.141 513 H CYS 70 H CYS 70 -2.625 -9.612 4.681 514 HA CYS 70 HA CYS 70 -3.510 -9.278 2.529 515 1HB CYS 70 2HB CYS 70 -4.852 -11.889 3.293 516 2HB CYS 70 1HB CYS 70 -4.822 -11.226 1.659 517 H THR 71 H THR 71 -4.719 -7.415 3.598 518 HA THR 71 HA THR 71 -7.601 -7.717 3.003 519 HB THR 71 HB THR 71 -7.963 -8.091 5.247 520 HG1 THR 71 1HG THR 71 -7.632 -5.614 6.112 521 1HG2 THR 71 1HG2 THR 71 -5.649 -8.297 5.893 522 2HG2 THR 71 2HG2 THR 71 -6.417 -7.182 7.022 523 3HG2 THR 71 3HG2 THR 71 -5.396 -6.559 5.727 524 H TYR 72 H TYR 72 -8.684 -5.504 3.085 525 HA TYR 72 HA TYR 72 -6.723 -3.428 2.186 526 1HB TYR 72 2HB TYR 72 -9.257 -4.377 1.131 527 2HB TYR 72 1HB TYR 72 -9.329 -2.644 1.442 528 HD1 TYR 72 1HD TYR 72 -7.866 -1.083 0.259 529 HD2 TYR 72 2HD TYR 72 -7.672 -5.309 -0.486 530 HE1 TYR 72 1HE TYR 72 -6.538 -0.661 -1.793 531 HE2 TYR 72 2HE TYR 72 -6.344 -4.884 -2.538 532 HH TYR 72 HH TYR 72 -4.844 -1.995 -3.193 533 H THR 73 H THR 73 -6.767 -1.410 3.132 534 HA THR 73 HA THR 73 -8.862 -0.866 5.185 535 HB THR 73 HB THR 73 -7.362 -0.561 6.907 536 HG1 THR 73 1HG THR 73 -6.191 1.068 5.910 537 1HG2 THR 73 1HG2 THR 73 -5.610 -2.300 5.156 538 2HG2 THR 73 2HG2 THR 73 -7.064 -2.895 5.957 539 3HG2 THR 73 3HG2 THR 73 -5.709 -2.301 6.917 540 H VAL 74 H VAL 74 -9.166 1.414 5.569 541 HA VAL 74 HA VAL 74 -8.088 3.120 3.358 542 HB VAL 74 HB VAL 74 -10.488 3.846 5.023 543 1HG1 VAL 74 1HG1 VAL 74 -11.104 5.102 3.092 544 2HG1 VAL 74 2HG1 VAL 74 -9.959 4.232 2.069 545 3HG1 VAL 74 3HG1 VAL 74 -9.370 5.366 3.286 546 1HG2 VAL 74 1HG2 VAL 74 -11.040 1.604 4.378 547 2HG2 VAL 74 2HG2 VAL 74 -10.357 1.830 2.767 548 3HG2 VAL 74 3HG2 VAL 74 -11.849 2.657 3.217 549 H VAL 75 H VAL 75 -6.555 4.538 4.013 550 HA VAL 75 HA VAL 75 -6.559 5.419 6.874 551 HB VAL 75 HB VAL 75 -4.147 6.085 6.321 552 1HG1 VAL 75 1HG1 VAL 75 -3.344 3.734 6.521 553 2HG1 VAL 75 2HG1 VAL 75 -4.976 3.171 6.161 554 3HG1 VAL 75 3HG1 VAL 75 -4.665 4.089 7.635 555 1HG2 VAL 75 1HG2 VAL 75 -4.541 4.190 3.996 556 2HG2 VAL 75 2HG2 VAL 75 -3.131 5.185 4.358 557 3HG2 VAL 75 3HG2 VAL 75 -4.625 5.941 3.805 558 H GLU 76 H GLU 76 -5.662 7.720 7.127 559 HA GLU 76 HA GLU 76 -6.906 9.455 5.030 560 1HB GLU 76 2HB GLU 76 -6.238 10.437 7.787 561 2HB GLU 76 1HB GLU 76 -7.537 10.942 6.706 562 1HG GLU 76 2HG GLU 76 -8.522 8.605 7.021 563 2HG GLU 76 1HG GLU 76 -7.367 8.402 8.338 564 H LYS 77 H LYS 77 -5.645 10.978 4.029 565 HA LYS 77 HA LYS 77 -2.794 10.768 4.161 566 1HB LYS 77 2HB LYS 77 -4.506 13.012 3.049 567 2HB LYS 77 1HB LYS 77 -2.792 12.772 2.710 568 1HG LYS 77 2HG LYS 77 -4.701 10.505 2.212 569 2HG LYS 77 1HG LYS 77 -4.627 11.827 1.048 570 1HD LYS 77 2HD LYS 77 -2.053 10.596 1.984 571 2HD LYS 77 1HD LYS 77 -3.027 9.727 0.799 572 1HE LYS 77 2HE LYS 77 -2.925 11.545 -0.755 573 2HE LYS 77 1HE LYS 77 -2.253 12.632 0.459 574 1HZ LYS 77 1HZ LYS 77 -0.392 11.990 -0.697 575 2HZ LYS 77 2HZ LYS 77 -0.957 10.411 -0.967 576 3HZ LYS 77 3HZ LYS 77 -0.390 10.862 0.570 577 H LYS 78 H LYS 78 -4.970 12.290 6.255 578 HA LYS 78 HA LYS 78 -2.817 14.111 7.274 579 1HB LYS 78 2HB LYS 78 -5.835 14.351 7.488 580 2HB LYS 78 1HB LYS 78 -4.691 15.413 8.306 581 1HG LYS 78 2HG LYS 78 -4.996 16.673 6.403 582 2HG LYS 78 1HG LYS 78 -3.719 15.620 5.798 583 1HD LYS 78 2HD LYS 78 -5.518 14.060 4.956 584 2HD LYS 78 1HD LYS 78 -6.704 15.289 5.397 585 1HE LYS 78 2HE LYS 78 -5.745 16.874 3.857 586 2HE LYS 78 1HE LYS 78 -4.363 15.823 3.551 587 1HZ LYS 78 1HZ LYS 78 -6.171 14.150 2.830 588 2HZ LYS 78 2HZ LYS 78 -5.723 15.394 1.763 589 3HZ LYS 78 3HZ LYS 78 -7.155 15.522 2.667 590 H ASP 79 H ASP 79 -4.072 11.167 7.863 591 HA ASP 79 HA ASP 79 -3.312 11.286 10.694 592 1HB ASP 79 2HB ASP 79 -5.817 11.938 10.447 593 2HB ASP 79 1HB ASP 79 -6.068 10.230 10.085 594 HA PRO 80 HA PRO 80 -2.539 7.312 8.296 595 1HB PRO 80 2HB PRO 80 0.152 7.401 9.318 596 2HB PRO 80 1HB PRO 80 -0.387 7.579 7.646 597 1HG PRO 80 2HG PRO 80 0.669 9.606 9.357 598 2HG PRO 80 1HG PRO 80 0.059 9.795 7.712 599 1HD PRO 80 2HD PRO 80 -1.173 10.655 10.197 600 2HD PRO 80 1HD PRO 80 -1.728 10.947 8.531 601 H GLY 81 H GLY 81 -3.527 7.901 11.125 602 1HA GLY 81 2HA GLY 81 -2.382 5.453 12.423 603 2HA GLY 81 1HA GLY 81 -2.767 6.903 13.350 604 H LYS 82 H LYS 82 -5.200 7.330 11.586 605 HA LYS 82 HA LYS 82 -6.933 5.257 12.886 606 1HB LYS 82 2HB LYS 82 -7.634 8.107 12.118 607 2HB LYS 82 1HB LYS 82 -8.703 6.958 12.920 608 1HG LYS 82 2HG LYS 82 -6.987 6.802 14.776 609 2HG LYS 82 1HG LYS 82 -6.143 8.151 14.014 610 1HD LYS 82 2HD LYS 82 -8.327 9.444 14.138 611 2HD LYS 82 1HD LYS 82 -8.947 8.142 15.154 612 1HE LYS 82 2HE LYS 82 -6.850 8.513 16.605 613 2HE LYS 82 1HE LYS 82 -6.663 10.032 15.727 614 1HZ LYS 82 1HZ LYS 82 -7.918 10.447 17.692 615 2HZ LYS 82 2HZ LYS 82 -8.997 9.180 17.350 616 3HZ LYS 82 3HZ LYS 82 -8.976 10.569 16.372 617 H THR 83 H THR 83 -8.695 4.440 11.633 618 HA THR 83 HA THR 83 -8.161 4.431 8.740 619 HB THR 83 HB THR 83 -9.771 2.646 8.634 620 HG1 THR 83 1HG THR 83 -11.262 2.338 10.151 621 1HG2 THR 83 1HG2 THR 83 -8.363 2.359 11.297 622 2HG2 THR 83 2HG2 THR 83 -7.547 2.184 9.743 623 3HG2 THR 83 3HG2 THR 83 -8.836 1.068 10.192 624 H CYS 84 H CYS 84 -9.854 4.949 7.169 625 HA CYS 84 HA CYS 84 -11.464 7.271 8.045 626 1HB CYS 84 2HB CYS 84 -10.122 6.526 5.646 627 2HB CYS 84 1HB CYS 84 -11.839 6.611 5.261 628 H ASP 85 H ASP 85 -13.579 7.073 6.197 629 HA ASP 85 HA ASP 85 -15.279 5.130 7.589 630 1HB ASP 85 2HB ASP 85 -16.031 7.455 6.916 631 2HB ASP 85 1HB ASP 85 -16.007 6.901 5.242 632 H VAL 86 H VAL 86 -16.225 3.296 6.638 633 HA VAL 86 HA VAL 86 -15.243 2.571 3.902 634 HB VAL 86 HB VAL 86 -15.663 0.556 6.109 635 1HG1 VAL 86 1HG1 VAL 86 -15.548 -0.371 3.879 636 2HG1 VAL 86 2HG1 VAL 86 -14.013 -0.707 4.679 637 3HG1 VAL 86 3HG1 VAL 86 -14.124 0.598 3.497 638 1HG2 VAL 86 1HG2 VAL 86 -13.205 2.201 5.469 639 2HG2 VAL 86 2HG2 VAL 86 -13.116 0.660 6.323 640 3HG2 VAL 86 3HG2 VAL 86 -14.003 2.011 7.030 641 H THR 87 H THR 87 -16.639 0.783 2.938 642 HA THR 87 HA THR 87 -19.454 0.902 3.922 643 HB THR 87 HB THR 87 -18.620 1.229 1.027 644 HG1 THR 87 1HG THR 87 -18.188 3.087 2.226 645 1HG2 THR 87 1HG2 THR 87 -20.756 0.135 1.188 646 2HG2 THR 87 2HG2 THR 87 -21.066 1.827 0.797 647 3HG2 THR 87 3HG2 THR 87 -21.292 1.247 2.448 648 H GLY 88 H GLY 88 -17.261 -0.630 1.566 649 1HA GLY 88 2HA GLY 88 -17.722 -3.276 2.495 650 2HA GLY 88 1HA GLY 88 -18.829 -2.973 1.157 651 H TRP 89 H TRP 89 -16.896 -4.919 0.861 652 HA TRP 89 HA TRP 89 -14.947 -3.637 -1.024 653 1HB TRP 89 2HB TRP 89 -14.445 -6.317 0.246 654 2HB TRP 89 1HB TRP 89 -13.283 -5.143 -0.372 655 HD1 TRP 89 HD TRP 89 -12.622 -3.111 1.182 656 HE1 TRP 89 1HE TRP 89 -12.914 -2.687 3.706 657 HE3 TRP 89 3HE TRP 89 -16.028 -6.748 2.298 658 HZ2 TRP 89 2HZ TRP 89 -14.396 -3.750 5.910 659 HZ3 TRP 89 3HZ TRP 89 -16.861 -7.020 4.617 660 HH2 TRP 89 HH TRP 89 -16.050 -5.527 6.422 661 H VAL 90 H VAL 90 -14.550 -4.821 -2.992 662 HA VAL 90 HA VAL 90 -16.631 -6.890 -3.608 663 HB VAL 90 HB VAL 90 -15.531 -4.672 -5.350 664 1HG1 VAL 90 1HG1 VAL 90 -17.184 -5.708 -7.041 665 2HG1 VAL 90 2HG1 VAL 90 -17.104 -7.157 -6.039 666 3HG1 VAL 90 3HG1 VAL 90 -15.645 -6.536 -6.811 667 1HG2 VAL 90 1HG2 VAL 90 -17.364 -4.013 -3.863 668 2HG2 VAL 90 2HG2 VAL 90 -18.319 -5.397 -4.394 669 3HG2 VAL 90 3HG2 VAL 90 -17.951 -4.095 -5.524 670 H LEU 91 H LEU 91 -15.480 -8.782 -3.580 671 HA LEU 91 HA LEU 91 -12.704 -8.885 -4.508 672 1HB LEU 91 2HB LEU 91 -13.894 -10.319 -2.644 673 2HB LEU 91 1HB LEU 91 -14.385 -11.329 -4.001 674 HG LEU 91 HG LEU 91 -11.527 -10.547 -3.345 675 1HD1 LEU 91 1HD1 LEU 91 -12.266 -12.124 -1.704 676 2HD1 LEU 91 2HD1 LEU 91 -11.360 -13.054 -2.898 677 3HD1 LEU 91 3HD1 LEU 91 -13.124 -13.081 -2.911 678 1HD2 LEU 91 1HD2 LEU 91 -11.598 -10.889 -5.680 679 2HD2 LEU 91 2HD2 LEU 91 -12.814 -12.160 -5.550 680 3HD2 LEU 91 3HD2 LEU 91 -11.151 -12.476 -5.057 Start of MODEL 10 1 1H GLN 1 1HT GLN 1 -5.399 -4.017 -11.915 2 2H GLN 1 2HT GLN 1 -4.331 -3.818 -10.609 3 3H GLN 1 3HT GLN 1 -4.263 -5.224 -11.558 4 HA GLN 1 HA GLN 1 -3.003 -4.281 -13.121 5 1HB GLN 1 2HB GLN 1 -5.068 -2.907 -13.735 6 2HB GLN 1 1HB GLN 1 -4.410 -1.634 -12.705 7 1HG GLN 1 2HG GLN 1 -2.257 -1.833 -14.067 8 2HG GLN 1 1HG GLN 1 -3.180 -2.819 -15.202 9 1HE2 GLN 1 1HE2 GLN 1 -2.742 0.456 -13.965 10 2HE2 GLN 1 2HE2 GLN 1 -3.758 1.215 -15.092 11 H CYS 2 H CYS 2 -0.948 -4.050 -12.381 12 HA CYS 2 HA CYS 2 -0.309 -2.686 -9.928 13 1HB CYS 2 2HB CYS 2 1.021 -4.558 -11.079 14 2HB CYS 2 1HB CYS 2 1.656 -3.303 -12.144 15 H TYR 3 H TYR 3 1.204 -0.782 -9.818 16 HA TYR 3 HA TYR 3 1.143 1.008 -12.174 17 1HB TYR 3 2HB TYR 3 0.290 2.864 -10.536 18 2HB TYR 3 1HB TYR 3 -0.881 1.762 -11.259 19 HD1 TYR 3 1HD TYR 3 1.069 2.501 -8.193 20 HD2 TYR 3 2HD TYR 3 -2.070 0.146 -9.939 21 HE1 TYR 3 1HE TYR 3 0.389 1.732 -5.935 22 HE2 TYR 3 2HE TYR 3 -2.750 -0.620 -7.681 23 HH TYR 3 HH TYR 3 -1.807 0.850 -4.877 24 H PHE 4 H PHE 4 2.540 2.919 -11.836 25 HA PHE 4 HA PHE 4 4.704 2.343 -9.847 26 1HB PHE 4 2HB PHE 4 4.706 3.608 -12.584 27 2HB PHE 4 1HB PHE 4 6.024 3.907 -11.452 28 HD1 PHE 4 1HD PHE 4 3.994 1.006 -12.718 29 HD2 PHE 4 2HD PHE 4 7.862 2.479 -11.568 30 HE1 PHE 4 1HE PHE 4 5.006 -1.176 -13.326 31 HE2 PHE 4 2HE PHE 4 8.873 0.297 -12.175 32 HZ PHE 4 HZ PHE 4 7.445 -1.530 -13.054 33 H ILE 5 H ILE 5 5.171 3.890 -8.337 34 HA ILE 5 HA ILE 5 3.718 6.499 -8.546 35 HB ILE 5 HB ILE 5 4.693 5.261 -5.974 36 1HG1 ILE 5 2HG1 ILE 5 2.012 4.779 -5.935 37 2HG1 ILE 5 1HG1 ILE 5 2.337 4.536 -7.650 38 1HG2 ILE 5 1HG2 ILE 5 2.511 7.261 -6.636 39 2HG2 ILE 5 2HG2 ILE 5 4.100 7.656 -5.981 40 3HG2 ILE 5 3HG2 ILE 5 2.957 6.723 -5.016 41 1HD1 ILE 5 1HD1 ILE 5 2.590 2.420 -6.432 42 2HD1 ILE 5 2HD1 ILE 5 3.771 3.164 -5.355 43 3HD1 ILE 5 3HD1 ILE 5 4.150 2.945 -7.063 44 HA PRO 6 HA PRO 6 8.096 7.741 -8.887 45 1HB PRO 6 2HB PRO 6 7.213 10.472 -9.141 46 2HB PRO 6 1HB PRO 6 7.857 9.410 -10.394 47 1HG PRO 6 2HG PRO 6 5.162 10.307 -10.086 48 2HG PRO 6 1HG PRO 6 5.797 9.195 -11.302 49 1HD PRO 6 2HD PRO 6 4.106 8.590 -9.028 50 2HD PRO 6 1HD PRO 6 4.679 7.483 -10.302 51 H ASN 7 H ASN 7 9.231 7.906 -6.997 52 HA ASN 7 HA ASN 7 8.293 8.647 -4.490 53 1HB ASN 7 2HB ASN 7 10.621 7.717 -5.199 54 2HB ASN 7 1HB ASN 7 11.086 9.413 -5.339 55 1HD2 ASN 7 1HD2 ASN 7 11.621 10.497 -3.411 56 2HD2 ASN 7 2HD2 ASN 7 11.385 9.855 -1.857 57 H GLN 8 H GLN 8 8.581 10.646 -3.232 58 HA GLN 8 HA GLN 8 8.696 13.119 -4.912 59 1HB GLN 8 2HB GLN 8 6.931 13.955 -3.133 60 2HB GLN 8 1HB GLN 8 6.396 13.019 -4.529 61 1HG GLN 8 2HG GLN 8 7.170 11.647 -1.957 62 2HG GLN 8 1HG GLN 8 5.546 12.296 -2.185 63 1HE2 GLN 8 1HE2 GLN 8 6.557 9.400 -2.075 64 2HE2 GLN 8 2HE2 GLN 8 5.953 8.694 -3.495 65 H SER 9 H SER 9 10.511 11.604 -2.923 66 HA SER 9 HA SER 9 11.267 14.040 -1.398 67 1HB SER 9 2HB SER 9 9.869 12.666 0.125 68 2HB SER 9 1HB SER 9 10.947 11.298 -0.138 69 HG SER 9 HG SER 9 12.000 13.771 0.674 70 H LEU 10 H LEU 10 13.507 14.109 -0.900 71 HA LEU 10 HA LEU 10 15.148 12.105 -2.392 72 1HB LEU 10 2HB LEU 10 16.067 14.818 -1.420 73 2HB LEU 10 1HB LEU 10 16.802 13.800 -2.659 74 HG LEU 10 HG LEU 10 14.088 15.142 -2.854 75 1HD1 LEU 10 1HD1 LEU 10 15.094 16.628 -4.426 76 2HD1 LEU 10 2HD1 LEU 10 16.567 15.661 -4.508 77 3HD1 LEU 10 3HD1 LEU 10 16.196 16.582 -3.051 78 1HD2 LEU 10 1HD2 LEU 10 15.617 13.264 -4.665 79 2HD2 LEU 10 2HD2 LEU 10 14.379 14.352 -5.296 80 3HD2 LEU 10 3HD2 LEU 10 13.951 13.125 -4.104 81 H LYS 11 H LYS 11 14.090 11.612 0.261 82 HA LYS 11 HA LYS 11 15.702 12.134 2.444 83 1HB LYS 11 2HB LYS 11 14.225 9.660 1.579 84 2HB LYS 11 1HB LYS 11 15.197 9.619 3.047 85 1HG LYS 11 2HG LYS 11 13.949 11.528 3.957 86 2HG LYS 11 1HG LYS 11 13.002 11.631 2.472 87 1HD LYS 11 2HD LYS 11 12.357 9.173 2.929 88 2HD LYS 11 1HD LYS 11 12.975 9.450 4.557 89 1HE LYS 11 2HE LYS 11 10.817 11.096 3.206 90 2HE LYS 11 1HE LYS 11 10.537 9.860 4.431 91 1HZ LYS 11 1HZ LYS 11 11.724 12.522 4.711 92 2HZ LYS 11 2HZ LYS 11 12.282 11.286 5.735 93 3HZ LYS 11 3HZ LYS 11 10.637 11.711 5.729 94 HA PRO 12 HA PRO 12 19.798 10.671 1.682 95 1HB PRO 12 2HB PRO 12 19.996 9.120 4.104 96 2HB PRO 12 1HB PRO 12 20.662 10.721 3.770 97 1HG PRO 12 2HG PRO 12 18.364 10.018 5.400 98 2HG PRO 12 1HG PRO 12 19.150 11.590 5.214 99 1HD PRO 12 2HD PRO 12 16.602 10.871 4.221 100 2HD PRO 12 1HD PRO 12 17.531 12.322 3.774 101 H ASN 13 H ASN 13 17.401 8.254 2.687 102 HA ASN 13 HA ASN 13 18.173 6.455 0.590 103 1HB ASN 13 2HB ASN 13 18.995 4.601 2.082 104 2HB ASN 13 1HB ASN 13 20.099 5.972 1.974 105 1HD2 ASN 13 1HD2 ASN 13 21.028 5.775 4.092 106 2HD2 ASN 13 2HD2 ASN 13 20.124 5.982 5.513 107 H GLU 14 H GLU 14 15.712 7.504 1.386 108 HA GLU 14 HA GLU 14 14.282 5.005 2.132 109 1HB GLU 14 2HB GLU 14 14.064 7.683 3.501 110 2HB GLU 14 1HB GLU 14 12.712 6.550 3.506 111 1HG GLU 14 2HG GLU 14 14.157 4.819 4.488 112 2HG GLU 14 1HG GLU 14 15.516 5.944 4.478 113 H CYS 15 H CYS 15 11.822 5.425 1.791 114 HA CYS 15 HA CYS 15 11.342 7.316 -0.456 115 1HB CYS 15 2HB CYS 15 9.954 5.287 -1.444 116 2HB CYS 15 1HB CYS 15 11.680 5.429 -1.772 117 H GLN 16 H GLN 16 9.692 8.544 0.288 118 HA GLN 16 HA GLN 16 7.645 7.306 2.066 119 1HB GLN 16 2HB GLN 16 8.645 9.367 2.902 120 2HB GLN 16 1HB GLN 16 8.270 10.199 1.393 121 1HG GLN 16 2HG GLN 16 6.056 8.907 2.970 122 2HG GLN 16 1HG GLN 16 6.668 10.488 3.455 123 1HE2 GLN 16 1HE2 GLN 16 4.220 9.188 1.695 124 2HE2 GLN 16 2HE2 GLN 16 4.021 10.394 0.519 125 H ASP 17 H ASP 17 5.568 6.983 1.330 126 HA ASP 17 HA ASP 17 4.822 8.209 -1.299 127 1HB ASP 17 2HB ASP 17 3.962 5.429 -0.505 128 2HB ASP 17 1HB ASP 17 3.975 6.163 -2.109 129 H LEU 18 H LEU 18 2.344 7.892 -1.635 130 HA LEU 18 HA LEU 18 0.268 8.727 -0.895 131 1HB LEU 18 2HB LEU 18 0.698 6.868 1.443 132 2HB LEU 18 1HB LEU 18 -0.807 7.249 0.608 133 HG LEU 18 HG LEU 18 1.520 5.626 -0.455 134 1HD1 LEU 18 1HD1 LEU 18 -1.404 4.885 -0.245 135 2HD1 LEU 18 2HD1 LEU 18 -0.271 4.603 1.076 136 3HD1 LEU 18 3HD1 LEU 18 -0.023 3.813 -0.481 137 1HD2 LEU 18 1HD2 LEU 18 -0.040 5.405 -2.487 138 2HD2 LEU 18 2HD2 LEU 18 0.802 6.944 -2.309 139 3HD2 LEU 18 3HD2 LEU 18 -0.895 6.808 -1.847 140 H LYS 19 H LYS 19 -0.338 8.525 2.117 141 HA LYS 19 HA LYS 19 1.037 11.078 2.873 142 1HB LYS 19 2HB LYS 19 -1.642 10.723 2.523 143 2HB LYS 19 1HB LYS 19 -1.498 10.333 4.236 144 1HG LYS 19 2HG LYS 19 -1.844 12.666 4.227 145 2HG LYS 19 1HG LYS 19 -0.096 12.507 4.404 146 1HD LYS 19 2HD LYS 19 -0.261 12.529 1.700 147 2HD LYS 19 1HD LYS 19 -1.684 13.495 2.084 148 1HE LYS 19 2HE LYS 19 0.104 15.058 1.914 149 2HE LYS 19 1HE LYS 19 -0.159 14.842 3.644 150 1HZ LYS 19 1HZ LYS 19 1.821 13.253 2.121 151 2HZ LYS 19 2HZ LYS 19 1.685 13.419 3.806 152 3HZ LYS 19 3HZ LYS 19 2.212 14.728 2.861 153 H GLY 20 H GLY 20 0.728 7.782 3.659 154 1HA GLY 20 2HA GLY 20 2.139 8.282 6.219 155 2HA GLY 20 1HA GLY 20 0.647 7.350 6.299 156 H VAL 21 H VAL 21 3.156 7.242 3.770 157 HA VAL 21 HA VAL 21 3.578 4.359 4.483 158 HB VAL 21 HB VAL 21 3.646 5.769 1.807 159 1HG1 VAL 21 1HG1 VAL 21 4.718 3.070 2.639 160 2HG1 VAL 21 2HG1 VAL 21 5.534 4.332 1.716 161 3HG1 VAL 21 3HG1 VAL 21 4.231 3.401 0.977 162 1HG2 VAL 21 1HG2 VAL 21 1.957 4.062 1.238 163 2HG2 VAL 21 2HG2 VAL 21 1.441 5.010 2.634 164 3HG2 VAL 21 3HG2 VAL 21 2.091 3.386 2.861 165 H SER 22 H SER 22 5.773 3.576 4.334 166 HA SER 22 HA SER 22 7.966 5.351 3.674 167 1HB SER 22 2HB SER 22 8.872 5.694 5.888 168 2HB SER 22 1HB SER 22 7.206 6.262 5.900 169 HG SER 22 HG SER 22 6.649 4.630 7.152 170 H HIS 23 H HIS 23 9.575 4.019 3.013 171 HA HIS 23 HA HIS 23 10.111 1.513 4.472 172 1HB HIS 23 2HB HIS 23 8.960 1.666 1.715 173 2HB HIS 23 1HB HIS 23 10.190 0.439 2.012 174 HD1 HIS 23 1HD HIS 23 9.559 -1.546 3.504 175 HD2 HIS 23 2HD HIS 23 6.557 1.340 3.287 176 HE1 HIS 23 1HE HIS 23 7.504 -2.567 4.575 177 HA PRO 24 HA PRO 24 14.311 2.541 3.547 178 1HB PRO 24 2HB PRO 24 15.073 -0.094 2.670 179 2HB PRO 24 1HB PRO 24 15.364 0.663 4.239 180 1HG PRO 24 2HG PRO 24 13.468 -1.419 3.568 181 2HG PRO 24 1HG PRO 24 13.866 -0.764 5.159 182 1HD PRO 24 2HD PRO 24 11.443 -0.376 3.721 183 2HD PRO 24 1HD PRO 24 11.947 0.470 5.205 184 H LEU 25 H LEU 25 15.221 3.471 1.736 185 HA LEU 25 HA LEU 25 14.046 3.228 -0.839 186 1HB LEU 25 2HB LEU 25 15.394 5.181 -0.157 187 2HB LEU 25 1HB LEU 25 16.837 4.169 -0.111 188 HG LEU 25 HG LEU 25 16.551 3.676 -2.528 189 1HD1 LEU 25 1HD1 LEU 25 14.277 3.877 -3.018 190 2HD1 LEU 25 2HD1 LEU 25 14.909 5.382 -3.680 191 3HD1 LEU 25 3HD1 LEU 25 14.108 5.379 -2.108 192 1HD2 LEU 25 1HD2 LEU 25 16.517 6.651 -1.939 193 2HD2 LEU 25 2HD2 LEU 25 17.254 5.861 -3.333 194 3HD2 LEU 25 3HD2 LEU 25 17.925 5.611 -1.721 195 H ASN 26 H ASN 26 14.831 2.159 -2.742 196 HA ASN 26 HA ASN 26 15.659 0.272 -3.868 197 1HB ASN 26 2HB ASN 26 17.762 1.581 -3.518 198 2HB ASN 26 1HB ASN 26 18.021 0.694 -2.014 199 1HD2 ASN 26 1HD2 ASN 26 18.478 0.577 -5.433 200 2HD2 ASN 26 2HD2 ASN 26 19.012 -1.031 -5.529 201 H SER 27 H SER 27 13.920 -0.919 -2.584 202 HA SER 27 HA SER 27 15.154 -3.253 -1.317 203 1HB SER 27 2HB SER 27 13.614 -1.212 0.249 204 2HB SER 27 1HB SER 27 13.436 -2.913 0.672 205 HG SER 27 HG SER 27 15.182 -2.382 1.796 206 H VAL 28 H VAL 28 13.952 -5.023 -1.833 207 HA VAL 28 HA VAL 28 11.211 -4.566 -2.940 208 HB VAL 28 HB VAL 28 11.763 -6.975 -3.879 209 1HG1 VAL 28 1HG1 VAL 28 12.717 -4.291 -4.826 210 2HG1 VAL 28 2HG1 VAL 28 11.479 -5.342 -5.514 211 3HG1 VAL 28 3HG1 VAL 28 13.183 -5.728 -5.734 212 1HG2 VAL 28 1HG2 VAL 28 14.102 -7.424 -4.169 213 2HG2 VAL 28 2HG2 VAL 28 13.873 -7.054 -2.460 214 3HG2 VAL 28 3HG2 VAL 28 14.546 -5.836 -3.544 215 H TRP 29 H TRP 29 9.499 -5.626 -1.971 216 HA TRP 29 HA TRP 29 10.037 -7.901 -0.161 217 1HB TRP 29 2HB TRP 29 8.762 -6.862 1.696 218 2HB TRP 29 1HB TRP 29 10.233 -5.963 1.327 219 HD1 TRP 29 HD TRP 29 6.431 -5.809 0.849 220 HE1 TRP 29 1HE TRP 29 5.764 -3.362 0.379 221 HE3 TRP 29 3HE TRP 29 11.061 -3.689 0.478 222 HZ2 TRP 29 2HZ TRP 29 7.031 -0.839 -0.091 223 HZ3 TRP 29 3HZ TRP 29 11.302 -1.266 0.019 224 HH2 TRP 29 HH TRP 29 9.295 0.159 -0.266 225 H LYS 30 H LYS 30 8.404 -9.371 -0.276 226 HA LYS 30 HA LYS 30 5.835 -8.509 -1.562 227 1HB LYS 30 2HB LYS 30 6.789 -11.348 -1.712 228 2HB LYS 30 1HB LYS 30 5.812 -10.432 -2.862 229 1HG LYS 30 2HG LYS 30 7.865 -9.034 -3.348 230 2HG LYS 30 1HG LYS 30 8.791 -10.179 -2.376 231 1HD LYS 30 2HD LYS 30 7.786 -12.007 -3.894 232 2HD LYS 30 1HD LYS 30 7.326 -10.685 -4.968 233 1HE LYS 30 2HE LYS 30 10.061 -11.677 -4.250 234 2HE LYS 30 1HE LYS 30 9.423 -11.196 -5.822 235 1HZ LYS 30 1HZ LYS 30 9.350 -8.884 -4.950 236 2HZ LYS 30 2HZ LYS 30 10.918 -9.520 -5.096 237 3HZ LYS 30 3HZ LYS 30 10.178 -9.419 -3.571 238 H THR 31 H THR 31 4.066 -10.255 -1.024 239 HA THR 31 HA THR 31 4.382 -11.366 1.706 240 HB THR 31 HB THR 31 3.483 -9.349 2.435 241 HG1 THR 31 1HG THR 31 1.458 -9.843 3.012 242 1HG2 THR 31 1HG2 THR 31 1.927 -9.295 -0.163 243 2HG2 THR 31 2HG2 THR 31 3.295 -8.269 0.272 244 3HG2 THR 31 3HG2 THR 31 1.757 -8.094 1.117 245 H LYS 32 H LYS 32 4.015 -13.458 0.969 246 HA LYS 32 HA LYS 32 2.854 -15.261 -0.015 247 1HB LYS 32 2HB LYS 32 0.738 -13.616 1.375 248 2HB LYS 32 1HB LYS 32 0.337 -15.133 0.569 249 1HG LYS 32 2HG LYS 32 1.935 -16.344 1.955 250 2HG LYS 32 1HG LYS 32 2.471 -14.839 2.702 251 1HD LYS 32 2HD LYS 32 0.131 -14.484 3.534 252 2HD LYS 32 1HD LYS 32 -0.287 -16.080 2.908 253 1HE LYS 32 2HE LYS 32 0.263 -16.220 5.300 254 2HE LYS 32 1HE LYS 32 1.460 -17.092 4.343 255 1HZ LYS 32 1HZ LYS 32 3.040 -15.776 5.122 256 2HZ LYS 32 2HZ LYS 32 1.902 -15.015 6.130 257 3HZ LYS 32 3HZ LYS 32 2.223 -14.391 4.584 258 H ASP 33 H ASP 33 3.360 -13.005 -1.804 259 HA ASP 33 HA ASP 33 2.754 -12.344 -3.967 260 1HB ASP 33 2HB ASP 33 2.360 -14.911 -4.061 261 2HB ASP 33 1HB ASP 33 0.648 -14.504 -3.948 262 H CYS 34 H CYS 34 0.640 -12.268 -1.353 263 HA CYS 34 HA CYS 34 -1.800 -11.383 -2.508 264 1HB CYS 34 2HB CYS 34 -1.604 -11.890 -0.112 265 2HB CYS 34 1HB CYS 34 -0.502 -10.528 0.100 266 H GLU 35 H GLU 35 1.252 -9.736 -1.979 267 HA GLU 35 HA GLU 35 0.414 -7.576 -3.766 268 1HB GLU 35 2HB GLU 35 -0.506 -6.700 -1.701 269 2HB GLU 35 1HB GLU 35 0.992 -7.040 -0.835 270 1HG GLU 35 2HG GLU 35 2.192 -5.377 -2.069 271 2HG GLU 35 1HG GLU 35 0.875 -5.193 -3.228 272 H GLU 36 H GLU 36 2.243 -6.418 -4.564 273 HA GLU 36 HA GLU 36 4.910 -7.358 -3.577 274 1HB GLU 36 2HB GLU 36 4.199 -8.499 -5.721 275 2HB GLU 36 1HB GLU 36 4.194 -6.910 -6.488 276 1HG GLU 36 2HG GLU 36 6.576 -6.616 -5.838 277 2HG GLU 36 1HG GLU 36 6.571 -8.245 -5.160 278 H CYS 37 H CYS 37 5.483 -5.448 -2.556 279 HA CYS 37 HA CYS 37 5.371 -2.944 -4.178 280 1HB CYS 37 2HB CYS 37 5.026 -3.534 -1.289 281 2HB CYS 37 1HB CYS 37 5.905 -2.057 -1.679 282 H THR 38 H THR 38 7.235 -1.704 -4.400 283 HA THR 38 HA THR 38 9.741 -2.617 -3.116 284 HB THR 38 HB THR 38 9.708 -3.985 -5.116 285 HG1 THR 38 1HG THR 38 11.615 -2.609 -4.521 286 1HG2 THR 38 1HG2 THR 38 9.588 -2.805 -7.368 287 2HG2 THR 38 2HG2 THR 38 9.011 -1.386 -6.495 288 3HG2 THR 38 3HG2 THR 38 8.075 -2.880 -6.466 289 H CYS 39 H CYS 39 11.416 -0.976 -3.262 290 HA CYS 39 HA CYS 39 10.335 1.718 -4.001 291 1HB CYS 39 2HB CYS 39 12.057 0.730 -1.784 292 2HB CYS 39 1HB CYS 39 12.483 2.302 -2.459 293 H GLY 40 H GLY 40 11.011 1.911 -6.132 294 1HA GLY 40 2HA GLY 40 13.570 1.001 -7.091 295 2HA GLY 40 1HA GLY 40 12.500 2.123 -7.935 296 H GLN 41 H GLN 41 15.324 2.450 -7.849 297 HA GLN 41 HA GLN 41 16.274 4.183 -5.831 298 1HB GLN 41 2HB GLN 41 17.529 3.085 -7.835 299 2HB GLN 41 1HB GLN 41 17.060 4.538 -8.718 300 1HG GLN 41 2HG GLN 41 18.608 4.479 -6.112 301 2HG GLN 41 1HG GLN 41 19.287 4.817 -7.703 302 1HE2 GLN 41 1HE2 GLN 41 18.243 6.768 -8.873 303 2HE2 GLN 41 2HE2 GLN 41 17.759 8.081 -7.913 304 H ASP 42 H ASP 42 14.524 4.914 -8.829 305 HA ASP 42 HA ASP 42 14.006 7.656 -7.739 306 1HB ASP 42 2HB ASP 42 14.014 8.469 -10.088 307 2HB ASP 42 1HB ASP 42 15.580 7.816 -9.607 308 H ALA 43 H ALA 43 12.503 4.923 -7.932 309 HA ALA 43 HA ALA 43 9.904 6.153 -8.476 310 1HB ALA 43 1HB ALA 43 9.234 4.780 -10.308 311 2HB ALA 43 2HB ALA 43 10.662 3.757 -10.158 312 3HB ALA 43 3HB ALA 43 10.820 5.411 -10.750 313 H ILE 44 H ILE 44 8.135 4.409 -8.185 314 HA ILE 44 HA ILE 44 9.042 2.237 -6.349 315 HB ILE 44 HB ILE 44 6.698 4.079 -5.793 316 1HG1 ILE 44 2HG1 ILE 44 9.489 4.024 -4.603 317 2HG1 ILE 44 1HG1 ILE 44 8.796 5.319 -5.579 318 1HG2 ILE 44 1HG2 ILE 44 6.787 1.631 -4.917 319 2HG2 ILE 44 2HG2 ILE 44 6.467 2.916 -3.753 320 3HG2 ILE 44 3HG2 ILE 44 8.078 2.212 -3.866 321 1HD1 ILE 44 1HD1 ILE 44 6.954 5.469 -3.811 322 2HD1 ILE 44 2HD1 ILE 44 8.551 6.027 -3.315 323 3HD1 ILE 44 3HD1 ILE 44 7.975 4.440 -2.806 324 H SER 45 H SER 45 8.125 0.334 -6.948 325 HA SER 45 HA SER 45 5.698 0.440 -8.699 326 1HB SER 45 2HB SER 45 7.211 -0.698 -10.015 327 2HB SER 45 1HB SER 45 8.122 -1.296 -8.633 328 HG SER 45 HG SER 45 6.075 -2.439 -10.000 329 H CYS 46 H CYS 46 3.852 -0.413 -7.876 330 HA CYS 46 HA CYS 46 4.049 -2.457 -5.716 331 1HB CYS 46 2HB CYS 46 2.721 0.232 -5.561 332 2HB CYS 46 1HB CYS 46 2.002 -1.128 -4.699 333 H CYS 47 H CYS 47 2.626 -4.092 -6.040 334 HA CYS 47 HA CYS 47 0.346 -3.623 -7.927 335 1HB CYS 47 2HB CYS 47 1.728 -6.289 -7.692 336 2HB CYS 47 1HB CYS 47 0.763 -5.654 -9.025 337 H ASN 48 H ASN 48 -1.569 -3.997 -6.937 338 HA ASN 48 HA ASN 48 -1.595 -5.756 -4.513 339 1HB ASN 48 2HB ASN 48 -3.815 -4.520 -4.092 340 2HB ASN 48 1HB ASN 48 -2.334 -3.581 -3.897 341 1HD2 ASN 48 1HD2 ASN 48 -5.352 -3.281 -5.175 342 2HD2 ASN 48 2HD2 ASN 48 -5.027 -2.225 -6.463 343 H THR 49 H THR 49 -3.045 -7.472 -4.437 344 HA THR 49 HA THR 49 -4.834 -7.855 -6.808 345 HB THR 49 HB THR 49 -4.174 -10.145 -7.009 346 HG1 THR 49 1HG THR 49 -2.234 -10.272 -5.157 347 1HG2 THR 49 1HG2 THR 49 -2.580 -8.392 -7.895 348 2HG2 THR 49 2HG2 THR 49 -1.842 -9.960 -7.570 349 3HG2 THR 49 3HG2 THR 49 -1.617 -8.629 -6.436 350 H ALA 50 H ALA 50 -4.939 -7.212 -3.694 351 HA ALA 50 HA ALA 50 -6.760 -9.381 -2.837 352 1HB ALA 50 1HB ALA 50 -5.355 -8.676 -1.074 353 2HB ALA 50 2HB ALA 50 -6.882 -7.862 -0.737 354 3HB ALA 50 3HB ALA 50 -5.553 -6.972 -1.480 355 H ALA 51 H ALA 51 -8.881 -8.596 -1.766 356 HA ALA 51 HA ALA 51 -10.543 -7.369 -3.695 357 1HB ALA 51 1HB ALA 51 -10.939 -7.486 -0.688 358 2HB ALA 51 2HB ALA 51 -11.421 -8.736 -1.836 359 3HB ALA 51 3HB ALA 51 -12.202 -7.155 -1.873 360 H ILE 52 H ILE 52 -11.514 -5.240 -3.724 361 HA ILE 52 HA ILE 52 -9.771 -3.156 -2.478 362 HB ILE 52 HB ILE 52 -11.637 -2.829 -4.839 363 1HG1 ILE 52 2HG1 ILE 52 -9.971 -4.468 -5.477 364 2HG1 ILE 52 1HG1 ILE 52 -9.514 -2.927 -6.199 365 1HG2 ILE 52 1HG2 ILE 52 -10.347 -0.799 -5.234 366 2HG2 ILE 52 2HG2 ILE 52 -9.272 -1.185 -3.892 367 3HG2 ILE 52 3HG2 ILE 52 -10.961 -0.781 -3.581 368 1HD1 ILE 52 1HD1 ILE 52 -8.282 -4.339 -3.841 369 2HD1 ILE 52 2HD1 ILE 52 -8.094 -2.597 -4.037 370 3HD1 ILE 52 3HD1 ILE 52 -7.492 -3.694 -5.278 371 HA PRO 53 HA PRO 53 -13.354 -2.255 0.082 372 1HB PRO 53 2HB PRO 53 -12.466 0.452 0.494 373 2HB PRO 53 1HB PRO 53 -12.357 -0.916 1.605 374 1HG PRO 53 2HG PRO 53 -10.233 0.347 0.140 375 2HG PRO 53 1HG PRO 53 -10.123 -1.000 1.277 376 1HD PRO 53 2HD PRO 53 -9.804 -1.087 -1.579 377 2HD PRO 53 1HD PRO 53 -9.757 -2.453 -0.436 378 H THR 54 H THR 54 -15.373 -1.621 -0.595 379 HA THR 54 HA THR 54 -15.642 0.815 -2.270 380 HB THR 54 HB THR 54 -16.401 -0.230 -4.145 381 HG1 THR 54 1HG THR 54 -17.594 -2.149 -2.431 382 1HG2 THR 54 1HG2 THR 54 -15.504 -2.474 -4.509 383 2HG2 THR 54 2HG2 THR 54 -15.293 -2.694 -2.772 384 3HG2 THR 54 3HG2 THR 54 -14.328 -1.494 -3.634 385 H GLY 55 H GLY 55 -18.325 0.695 -2.809 386 1HA GLY 55 2HA GLY 55 -20.458 0.885 -1.840 387 2HA GLY 55 1HA GLY 55 -19.907 -0.194 -0.558 388 H TYR 56 H TYR 56 -17.557 1.889 -0.328 389 HA TYR 56 HA TYR 56 -18.953 3.496 1.722 390 1HB TYR 56 2HB TYR 56 -16.917 3.765 2.728 391 2HB TYR 56 1HB TYR 56 -16.589 2.273 1.853 392 HD1 TYR 56 1HD TYR 56 -15.782 5.792 2.211 393 HD2 TYR 56 2HD TYR 56 -15.387 2.377 -0.363 394 HE1 TYR 56 1HE TYR 56 -13.941 6.923 0.998 395 HE2 TYR 56 2HE TYR 56 -13.546 3.509 -1.579 396 HH TYR 56 HH TYR 56 -12.246 6.605 -0.479 397 H ASP 57 H ASP 57 -19.164 5.739 1.617 398 HA ASP 57 HA ASP 57 -19.224 6.955 -0.981 399 1HB ASP 57 2HB ASP 57 -20.611 7.670 0.994 400 2HB ASP 57 1HB ASP 57 -19.152 8.365 1.702 401 H THR 58 H THR 58 -17.517 7.702 -2.133 402 HA THR 58 HA THR 58 -14.880 7.933 -0.899 403 HB THR 58 HB THR 58 -14.081 8.388 -3.122 404 HG1 THR 58 1HG THR 58 -16.776 9.057 -3.550 405 1HG2 THR 58 1HG2 THR 58 -16.435 6.523 -3.472 406 2HG2 THR 58 2HG2 THR 58 -14.977 6.070 -2.590 407 3HG2 THR 58 3HG2 THR 58 -14.882 6.468 -4.305 408 H ASN 59 H ASN 59 -15.225 9.651 0.638 409 HA ASN 59 HA ASN 59 -16.060 12.288 -0.365 410 1HB ASN 59 2HB ASN 59 -15.077 11.364 2.352 411 2HB ASN 59 1HB ASN 59 -15.631 13.001 1.997 412 1HD2 ASN 59 1HD2 ASN 59 -17.892 13.372 1.960 413 2HD2 ASN 59 2HD2 ASN 59 -19.050 12.147 2.167 414 H LYS 60 H LYS 60 -13.103 10.901 1.103 415 HA LYS 60 HA LYS 60 -11.314 12.208 -0.684 416 1HB LYS 60 2HB LYS 60 -10.392 13.862 1.091 417 2HB LYS 60 1HB LYS 60 -11.859 14.324 0.228 418 1HG LYS 60 2HG LYS 60 -13.253 13.754 2.065 419 2HG LYS 60 1HG LYS 60 -11.966 12.847 2.861 420 1HD LYS 60 2HD LYS 60 -10.767 14.834 3.411 421 2HD LYS 60 1HD LYS 60 -11.755 15.815 2.327 422 1HE LYS 60 2HE LYS 60 -12.971 14.331 4.659 423 2HE LYS 60 1HE LYS 60 -12.297 15.949 4.844 424 1HZ LYS 60 1HZ LYS 60 -14.337 15.247 2.810 425 2HZ LYS 60 2HZ LYS 60 -13.802 16.801 3.244 426 3HZ LYS 60 3HZ LYS 60 -14.719 15.878 4.338 427 H CYS 61 H CYS 61 -10.861 9.803 -0.188 428 HA CYS 61 HA CYS 61 -8.700 9.706 1.839 429 1HB CYS 61 2HB CYS 61 -10.311 7.263 1.922 430 2HB CYS 61 1HB CYS 61 -9.722 8.262 3.250 431 H GLN 62 H GLN 62 -7.650 7.395 1.669 432 HA GLN 62 HA GLN 62 -7.586 6.569 -1.211 433 1HB GLN 62 2HB GLN 62 -5.612 7.970 -0.629 434 2HB GLN 62 1HB GLN 62 -5.207 6.831 0.655 435 1HG GLN 62 2HG GLN 62 -4.687 5.107 -0.863 436 2HG GLN 62 1HG GLN 62 -5.568 5.879 -2.183 437 1HE2 GLN 62 1HE2 GLN 62 -3.431 7.752 -0.079 438 2HE2 GLN 62 2HE2 GLN 62 -2.233 8.034 -1.247 439 H LYS 63 H LYS 63 -6.630 4.331 -1.453 440 HA LYS 63 HA LYS 63 -7.465 2.624 0.861 441 1HB LYS 63 2HB LYS 63 -7.114 1.617 -1.956 442 2HB LYS 63 1HB LYS 63 -8.133 0.974 -0.667 443 1HG LYS 63 2HG LYS 63 -9.550 3.018 -0.810 444 2HG LYS 63 1HG LYS 63 -8.566 3.575 -2.165 445 1HD LYS 63 2HD LYS 63 -9.123 1.282 -3.244 446 2HD LYS 63 1HD LYS 63 -10.410 1.190 -2.040 447 1HE LYS 63 2HE LYS 63 -11.186 3.464 -2.832 448 2HE LYS 63 1HE LYS 63 -10.024 3.327 -4.151 449 1HZ LYS 63 1HZ LYS 63 -12.297 2.576 -4.728 450 2HZ LYS 63 2HZ LYS 63 -12.141 1.323 -3.590 451 3HZ LYS 63 3HZ LYS 63 -11.114 1.379 -4.943 452 H ILE 64 H ILE 64 -5.833 1.636 1.923 453 HA ILE 64 HA ILE 64 -3.235 1.243 0.482 454 HB ILE 64 HB ILE 64 -3.910 1.889 3.346 455 1HG1 ILE 64 2HG1 ILE 64 -1.769 2.902 1.453 456 2HG1 ILE 64 1HG1 ILE 64 -3.344 3.664 1.670 457 1HG2 ILE 64 1HG2 ILE 64 -2.486 -0.016 3.637 458 2HG2 ILE 64 2HG2 ILE 64 -1.446 1.393 3.821 459 3HG2 ILE 64 3HG2 ILE 64 -1.435 0.482 2.312 460 1HD1 ILE 64 1HD1 ILE 64 -1.287 3.228 3.856 461 2HD1 ILE 64 2HD1 ILE 64 -2.861 3.994 4.065 462 3HD1 ILE 64 3HD1 ILE 64 -1.630 4.766 3.065 463 H LEU 65 H LEU 65 -2.056 -0.739 1.053 464 HA LEU 65 HA LEU 65 -3.886 -2.957 1.872 465 1HB LEU 65 2HB LEU 65 -3.006 -2.797 -0.583 466 2HB LEU 65 1HB LEU 65 -1.475 -3.335 0.102 467 HG LEU 65 HG LEU 65 -4.071 -4.801 0.610 468 1HD1 LEU 65 1HD1 LEU 65 -3.095 -6.412 -1.161 469 2HD1 LEU 65 2HD1 LEU 65 -2.119 -5.036 -1.677 470 3HD1 LEU 65 3HD1 LEU 65 -3.879 -4.942 -1.740 471 1HD2 LEU 65 1HD2 LEU 65 -2.302 -6.689 0.881 472 2HD2 LEU 65 2HD2 LEU 65 -2.439 -5.496 2.170 473 3HD2 LEU 65 3HD2 LEU 65 -1.131 -5.375 0.993 474 H ASN 66 H ASN 66 -3.295 -3.748 3.825 475 HA ASN 66 HA ASN 66 -0.625 -3.234 4.907 476 1HB ASN 66 2HB ASN 66 -3.211 -4.249 5.908 477 2HB ASN 66 1HB ASN 66 -1.810 -5.031 6.638 478 1HD2 ASN 66 1HD2 ASN 66 -3.305 -1.825 6.082 479 2HD2 ASN 66 2HD2 ASN 66 -2.497 -1.052 7.360 480 H LYS 67 H LYS 67 0.935 -4.412 3.838 481 HA LYS 67 HA LYS 67 0.538 -7.093 2.872 482 1HB LYS 67 2HB LYS 67 3.096 -7.080 2.757 483 2HB LYS 67 1HB LYS 67 2.274 -5.823 1.836 484 1HG LYS 67 2HG LYS 67 2.883 -5.080 4.635 485 2HG LYS 67 1HG LYS 67 4.304 -5.353 3.630 486 1HD LYS 67 2HD LYS 67 3.621 -3.702 2.043 487 2HD LYS 67 1HD LYS 67 2.007 -3.595 2.745 488 1HE LYS 67 2HE LYS 67 4.561 -2.840 4.195 489 2HE LYS 67 1HE LYS 67 3.476 -1.689 3.414 490 1HZ LYS 67 1HZ LYS 67 2.157 -3.524 5.199 491 2HZ LYS 67 2HZ LYS 67 2.006 -1.836 5.068 492 3HZ LYS 67 3HZ LYS 67 3.277 -2.511 5.973 493 H LYS 68 H LYS 68 0.691 -6.000 5.994 494 HA LYS 68 HA LYS 68 2.439 -7.853 7.265 495 1HB LYS 68 2HB LYS 68 1.053 -5.779 8.194 496 2HB LYS 68 1HB LYS 68 -0.116 -7.033 8.603 497 1HG LYS 68 2HG LYS 68 1.636 -8.267 9.832 498 2HG LYS 68 1HG LYS 68 2.804 -7.010 9.426 499 1HD LYS 68 2HD LYS 68 1.006 -5.408 10.517 500 2HD LYS 68 1HD LYS 68 0.469 -6.889 11.312 501 1HE LYS 68 2HE LYS 68 2.064 -5.980 12.805 502 2HE LYS 68 1HE LYS 68 2.954 -7.229 11.935 503 1HZ LYS 68 1HZ LYS 68 4.043 -5.668 10.641 504 2HZ LYS 68 2HZ LYS 68 4.002 -4.919 12.166 505 3HZ LYS 68 3HZ LYS 68 2.907 -4.448 10.954 506 H THR 69 H THR 69 -1.100 -8.020 6.785 507 HA THR 69 HA THR 69 -0.859 -11.003 6.792 508 HB THR 69 HB THR 69 -3.219 -10.913 7.863 509 HG1 THR 69 1HG THR 69 -3.415 -8.987 9.178 510 1HG2 THR 69 1HG2 THR 69 -2.195 -10.607 10.158 511 2HG2 THR 69 2HG2 THR 69 -0.701 -10.133 9.351 512 3HG2 THR 69 3HG2 THR 69 -1.350 -11.756 9.121 513 H CYS 70 H CYS 70 -0.976 -9.047 4.581 514 HA CYS 70 HA CYS 70 -2.153 -8.698 2.578 515 1HB CYS 70 2HB CYS 70 -1.772 -11.080 2.299 516 2HB CYS 70 1HB CYS 70 -3.141 -11.460 3.344 517 H THR 71 H THR 71 -3.381 -6.992 3.779 518 HA THR 71 HA THR 71 -6.285 -7.623 3.710 519 HB THR 71 HB THR 71 -6.730 -6.859 5.882 520 HG1 THR 71 1HG THR 71 -5.732 -5.092 6.376 521 1HG2 THR 71 1HG2 THR 71 -3.970 -8.066 6.187 522 2HG2 THR 71 2HG2 THR 71 -5.417 -9.011 5.840 523 3HG2 THR 71 3HG2 THR 71 -5.290 -8.117 7.355 524 H TYR 72 H TYR 72 -7.536 -5.447 3.961 525 HA TYR 72 HA TYR 72 -6.015 -3.336 2.477 526 1HB TYR 72 2HB TYR 72 -8.494 -4.670 1.871 527 2HB TYR 72 1HB TYR 72 -8.815 -2.955 2.128 528 HD1 TYR 72 1HD TYR 72 -7.506 -1.239 0.822 529 HD2 TYR 72 2HD TYR 72 -7.323 -5.438 -0.059 530 HE1 TYR 72 1HE TYR 72 -6.555 -0.729 -1.411 531 HE2 TYR 72 2HE TYR 72 -6.374 -4.928 -2.292 532 HH TYR 72 HH TYR 72 -5.195 -3.164 -3.428 533 H THR 73 H THR 73 -6.527 -1.137 2.991 534 HA THR 73 HA THR 73 -8.191 -0.617 5.374 535 HB THR 73 HB THR 73 -6.273 -0.861 6.650 536 HG1 THR 73 1HG THR 73 -5.763 1.699 5.556 537 1HG2 THR 73 1HG2 THR 73 -3.984 -0.186 5.692 538 2HG2 THR 73 2HG2 THR 73 -4.798 -0.095 4.131 539 3HG2 THR 73 3HG2 THR 73 -4.742 -1.624 5.008 540 H VAL 74 H VAL 74 -8.211 1.862 5.761 541 HA VAL 74 HA VAL 74 -7.798 3.334 3.189 542 HB VAL 74 HB VAL 74 -10.194 3.874 4.933 543 1HG1 VAL 74 1HG1 VAL 74 -9.808 4.087 1.936 544 2HG1 VAL 74 2HG1 VAL 74 -9.435 5.402 3.049 545 3HG1 VAL 74 3HG1 VAL 74 -11.090 4.809 2.907 546 1HG2 VAL 74 1HG2 VAL 74 -9.895 1.720 2.824 547 2HG2 VAL 74 2HG2 VAL 74 -11.459 2.349 3.341 548 3HG2 VAL 74 3HG2 VAL 74 -10.417 1.519 4.496 549 H VAL 75 H VAL 75 -6.835 5.293 3.465 550 HA VAL 75 HA VAL 75 -6.695 6.406 6.245 551 HB VAL 75 HB VAL 75 -4.416 7.272 5.554 552 1HG1 VAL 75 1HG1 VAL 75 -4.792 5.224 6.965 553 2HG1 VAL 75 2HG1 VAL 75 -3.298 5.174 6.030 554 3HG1 VAL 75 3HG1 VAL 75 -4.706 4.256 5.494 555 1HG2 VAL 75 1HG2 VAL 75 -3.337 6.278 3.630 556 2HG2 VAL 75 2HG2 VAL 75 -4.868 6.966 3.089 557 3HG2 VAL 75 3HG2 VAL 75 -4.722 5.226 3.338 558 H GLU 76 H GLU 76 -6.025 8.828 6.107 559 HA GLU 76 HA GLU 76 -7.636 10.089 3.920 560 1HB GLU 76 2HB GLU 76 -6.935 11.146 6.676 561 2HB GLU 76 1HB GLU 76 -7.937 11.971 5.482 562 1HG GLU 76 2HG GLU 76 -9.567 10.142 5.545 563 2HG GLU 76 1HG GLU 76 -8.552 9.256 6.685 564 H LYS 77 H LYS 77 -6.698 11.700 2.679 565 HA LYS 77 HA LYS 77 -3.814 11.831 2.579 566 1HB LYS 77 2HB LYS 77 -6.014 13.406 1.229 567 2HB LYS 77 1HB LYS 77 -4.310 13.761 0.955 568 1HG LYS 77 2HG LYS 77 -5.396 10.961 0.635 569 2HG LYS 77 1HG LYS 77 -5.474 12.128 -0.685 570 1HD LYS 77 2HD LYS 77 -2.919 12.468 -0.199 571 2HD LYS 77 1HD LYS 77 -3.047 10.910 0.617 572 1HE LYS 77 2HE LYS 77 -2.415 10.457 -1.658 573 2HE LYS 77 1HE LYS 77 -4.113 10.005 -1.497 574 1HZ LYS 77 1HZ LYS 77 -4.669 12.258 -2.344 575 2HZ LYS 77 2HZ LYS 77 -3.873 11.273 -3.476 576 3HZ LYS 77 3HZ LYS 77 -3.022 12.503 -2.669 577 H LYS 78 H LYS 78 -6.092 13.383 4.558 578 HA LYS 78 HA LYS 78 -4.175 15.619 5.119 579 1HB LYS 78 2HB LYS 78 -6.670 16.024 4.345 580 2HB LYS 78 1HB LYS 78 -7.037 15.663 6.031 581 1HG LYS 78 2HG LYS 78 -5.240 17.389 6.635 582 2HG LYS 78 1HG LYS 78 -5.292 17.877 4.940 583 1HD LYS 78 2HD LYS 78 -7.860 18.054 5.289 584 2HD LYS 78 1HD LYS 78 -7.477 18.047 7.011 585 1HE LYS 78 2HE LYS 78 -6.746 20.085 4.923 586 2HE LYS 78 1HE LYS 78 -7.465 20.336 6.514 587 1HZ LYS 78 1HZ LYS 78 -4.662 19.745 5.821 588 2HZ LYS 78 2HZ LYS 78 -5.262 19.359 7.363 589 3HZ LYS 78 3HZ LYS 78 -5.281 20.968 6.820 590 H ASP 79 H ASP 79 -5.080 12.662 6.262 591 HA ASP 79 HA ASP 79 -3.998 13.223 8.914 592 1HB ASP 79 2HB ASP 79 -6.469 13.880 8.992 593 2HB ASP 79 1HB ASP 79 -6.821 12.164 8.782 594 HA PRO 80 HA PRO 80 -3.395 8.939 7.165 595 1HB PRO 80 2HB PRO 80 -0.695 9.082 8.161 596 2HB PRO 80 1HB PRO 80 -1.241 9.053 6.482 597 1HG PRO 80 2HG PRO 80 -0.103 11.253 7.884 598 2HG PRO 80 1HG PRO 80 -0.768 11.253 6.249 599 1HD PRO 80 2HD PRO 80 -1.903 12.417 8.670 600 2HD PRO 80 1HD PRO 80 -2.473 12.577 6.990 601 H GLY 81 H GLY 81 -3.917 10.218 10.073 602 1HA GLY 81 2HA GLY 81 -2.977 7.850 11.638 603 2HA GLY 81 1HA GLY 81 -3.424 9.407 12.336 604 H LYS 82 H LYS 82 -5.795 9.454 10.401 605 HA LYS 82 HA LYS 82 -7.547 7.629 12.009 606 1HB LYS 82 2HB LYS 82 -8.224 10.241 10.619 607 2HB LYS 82 1HB LYS 82 -9.363 9.241 11.519 608 1HG LYS 82 2HG LYS 82 -6.829 10.128 12.867 609 2HG LYS 82 1HG LYS 82 -8.159 11.274 12.708 610 1HD LYS 82 2HD LYS 82 -9.677 9.690 13.823 611 2HD LYS 82 1HD LYS 82 -8.364 8.522 13.966 612 1HE LYS 82 2HE LYS 82 -7.074 10.289 15.252 613 2HE LYS 82 1HE LYS 82 -8.560 11.237 15.287 614 1HZ LYS 82 1HZ LYS 82 -7.839 9.258 17.043 615 2HZ LYS 82 2HZ LYS 82 -9.023 8.537 16.058 616 3HZ LYS 82 3HZ LYS 82 -9.372 9.971 16.900 617 H THR 83 H THR 83 -8.980 6.294 10.897 618 HA THR 83 HA THR 83 -8.430 5.956 8.015 619 HB THR 83 HB THR 83 -9.773 3.895 8.248 620 HG1 THR 83 1HG THR 83 -11.097 4.953 9.960 621 1HG2 THR 83 1HG2 THR 83 -7.907 4.095 10.613 622 2HG2 THR 83 2HG2 THR 83 -7.311 4.075 8.953 623 3HG2 THR 83 3HG2 THR 83 -8.216 2.698 9.582 624 H CYS 84 H CYS 84 -10.156 5.928 6.438 625 HA CYS 84 HA CYS 84 -12.178 7.975 6.956 626 1HB CYS 84 2HB CYS 84 -10.891 6.894 4.672 627 2HB CYS 84 1HB CYS 84 -12.607 6.547 4.476 628 H ASP 85 H ASP 85 -14.454 7.235 5.786 629 HA ASP 85 HA ASP 85 -15.450 5.101 7.565 630 1HB ASP 85 2HB ASP 85 -16.622 7.355 7.167 631 2HB ASP 85 1HB ASP 85 -17.077 6.709 5.590 632 H VAL 86 H VAL 86 -15.508 3.039 6.843 633 HA VAL 86 HA VAL 86 -15.584 2.554 3.900 634 HB VAL 86 HB VAL 86 -13.701 1.506 4.923 635 1HG1 VAL 86 1HG1 VAL 86 -14.309 1.606 7.246 636 2HG1 VAL 86 2HG1 VAL 86 -14.041 -0.093 6.856 637 3HG1 VAL 86 3HG1 VAL 86 -15.685 0.533 6.988 638 1HG2 VAL 86 1HG2 VAL 86 -15.740 -0.718 4.817 639 2HG2 VAL 86 2HG2 VAL 86 -14.037 -0.779 4.370 640 3HG2 VAL 86 3HG2 VAL 86 -15.180 0.103 3.358 641 H THR 87 H THR 87 -16.781 0.469 3.332 642 HA THR 87 HA THR 87 -19.252 0.152 4.986 643 HB THR 87 HB THR 87 -19.100 0.487 1.976 644 HG1 THR 87 1HG THR 87 -20.403 1.981 4.004 645 1HG2 THR 87 1HG2 THR 87 -21.356 -0.322 3.817 646 2HG2 THR 87 2HG2 THR 87 -20.748 -1.187 2.405 647 3HG2 THR 87 3HG2 THR 87 -21.635 0.324 2.200 648 H GLY 88 H GLY 88 -17.144 -1.200 2.467 649 1HA GLY 88 2HA GLY 88 -17.157 -3.813 3.610 650 2HA GLY 88 1HA GLY 88 -18.346 -3.769 2.308 651 H TRP 89 H TRP 89 -17.074 -5.227 1.032 652 HA TRP 89 HA TRP 89 -14.924 -3.862 -0.473 653 1HB TRP 89 2HB TRP 89 -14.353 -6.664 0.436 654 2HB TRP 89 1HB TRP 89 -13.226 -5.380 -0.002 655 HD1 TRP 89 HD TRP 89 -12.580 -3.612 1.841 656 HE1 TRP 89 1HE TRP 89 -12.876 -3.572 4.402 657 HE3 TRP 89 3HE TRP 89 -15.955 -7.405 2.400 658 HZ2 TRP 89 2HZ TRP 89 -14.349 -4.964 6.420 659 HZ3 TRP 89 3HZ TRP 89 -16.787 -8.026 4.650 660 HH2 TRP 89 HH TRP 89 -15.988 -6.812 6.658 661 H VAL 90 H VAL 90 -14.313 -5.243 -2.433 662 HA VAL 90 HA VAL 90 -16.520 -7.086 -3.237 663 HB VAL 90 HB VAL 90 -15.457 -4.765 -4.868 664 1HG1 VAL 90 1HG1 VAL 90 -15.839 -6.556 -6.392 665 2HG1 VAL 90 2HG1 VAL 90 -17.296 -5.565 -6.464 666 3HG1 VAL 90 3HG1 VAL 90 -17.296 -7.067 -5.539 667 1HG2 VAL 90 1HG2 VAL 90 -17.101 -4.130 -3.139 668 2HG2 VAL 90 2HG2 VAL 90 -18.209 -5.365 -3.736 669 3HG2 VAL 90 3HG2 VAL 90 -17.800 -3.981 -4.751 670 H LEU 91 H LEU 91 -15.893 -8.436 -5.130 671 HA LEU 91 HA LEU 91 -12.989 -8.556 -5.706 672 1HB LEU 91 2HB LEU 91 -13.475 -10.018 -3.682 673 2HB LEU 91 1HB LEU 91 -14.489 -11.003 -4.736 674 HG LEU 91 HG LEU 91 -12.344 -11.025 -6.282 675 1HD1 LEU 91 1HD1 LEU 91 -11.209 -10.456 -3.526 676 2HD1 LEU 91 2HD1 LEU 91 -11.016 -9.457 -4.966 677 3HD1 LEU 91 3HD1 LEU 91 -10.267 -11.051 -4.892 678 1HD2 LEU 91 1HD2 LEU 91 -11.534 -13.050 -4.998 679 2HD2 LEU 91 2HD2 LEU 91 -13.265 -13.048 -5.341 680 3HD2 LEU 91 3HD2 LEU 91 -12.685 -12.625 -3.730 Start of MODEL 11 1 1H GLN 1 1HT GLN 1 -3.040 -7.703 -13.363 2 2H GLN 1 2HT GLN 1 -2.819 -7.556 -11.684 3 3H GLN 1 3HT GLN 1 -1.477 -7.540 -12.726 4 HA GLN 1 HA GLN 1 -2.355 -5.474 -13.748 5 1HB GLN 1 2HB GLN 1 -4.710 -6.000 -12.840 6 2HB GLN 1 1HB GLN 1 -4.127 -5.367 -11.302 7 1HG GLN 1 2HG GLN 1 -5.104 -3.491 -12.373 8 2HG GLN 1 1HG GLN 1 -3.373 -3.298 -12.649 9 1HE2 GLN 1 1HE2 GLN 1 -6.445 -3.735 -14.218 10 2HE2 GLN 1 2HE2 GLN 1 -5.854 -3.828 -15.807 11 H CYS 2 H CYS 2 -1.399 -3.518 -12.948 12 HA CYS 2 HA CYS 2 -0.496 -3.270 -10.205 13 1HB CYS 2 2HB CYS 2 1.079 -5.016 -11.160 14 2HB CYS 2 1HB CYS 2 1.660 -3.776 -12.272 15 H TYR 3 H TYR 3 1.107 -1.332 -10.079 16 HA TYR 3 HA TYR 3 0.887 0.521 -12.374 17 1HB TYR 3 2HB TYR 3 0.063 2.310 -10.655 18 2HB TYR 3 1HB TYR 3 -1.113 1.189 -11.340 19 HD1 TYR 3 1HD TYR 3 -2.111 -0.572 -10.009 20 HD2 TYR 3 2HD TYR 3 0.892 2.011 -8.347 21 HE1 TYR 3 1HE TYR 3 -2.658 -1.399 -7.736 22 HE2 TYR 3 2HE TYR 3 0.343 1.186 -6.074 23 HH TYR 3 HH TYR 3 -1.068 -1.473 -5.377 24 H PHE 4 H PHE 4 2.271 2.439 -12.067 25 HA PHE 4 HA PHE 4 4.516 1.878 -10.165 26 1HB PHE 4 2HB PHE 4 4.406 2.646 -12.986 27 2HB PHE 4 1HB PHE 4 5.415 3.747 -12.048 28 HD1 PHE 4 1HD PHE 4 7.651 3.165 -11.718 29 HD2 PHE 4 2HD PHE 4 4.752 0.065 -12.382 30 HE1 PHE 4 1HE PHE 4 9.458 1.468 -11.678 31 HE2 PHE 4 2HE PHE 4 6.560 -1.632 -12.341 32 HZ PHE 4 HZ PHE 4 8.912 -0.932 -11.990 33 H ILE 5 H ILE 5 4.795 3.321 -8.548 34 HA ILE 5 HA ILE 5 3.401 5.953 -8.750 35 HB ILE 5 HB ILE 5 4.390 4.588 -6.243 36 1HG1 ILE 5 2HG1 ILE 5 2.750 3.116 -7.262 37 2HG1 ILE 5 1HG1 ILE 5 1.974 3.961 -5.924 38 1HG2 ILE 5 1HG2 ILE 5 2.908 6.147 -5.120 39 2HG2 ILE 5 2HG2 ILE 5 2.293 6.737 -6.663 40 3HG2 ILE 5 3HG2 ILE 5 3.963 7.062 -6.196 41 1HD1 ILE 5 1HD1 ILE 5 1.292 5.703 -7.765 42 2HD1 ILE 5 2HD1 ILE 5 0.392 4.195 -7.633 43 3HD1 ILE 5 3HD1 ILE 5 1.621 4.378 -8.882 44 HA PRO 6 HA PRO 6 7.677 7.409 -9.152 45 1HB PRO 6 2HB PRO 6 6.756 10.116 -8.807 46 2HB PRO 6 1HB PRO 6 7.271 9.315 -10.294 47 1HG PRO 6 2HG PRO 6 4.610 10.053 -9.521 48 2HG PRO 6 1HG PRO 6 5.128 9.257 -11.009 49 1HD PRO 6 2HD PRO 6 3.666 8.108 -8.810 50 2HD PRO 6 1HD PRO 6 4.205 7.300 -10.303 51 H ASN 7 H ASN 7 9.217 8.582 -7.761 52 HA ASN 7 HA ASN 7 9.089 8.010 -5.039 53 1HB ASN 7 2HB ASN 7 11.077 8.904 -6.398 54 2HB ASN 7 1HB ASN 7 10.427 10.512 -6.081 55 1HD2 ASN 7 1HD2 ASN 7 11.412 7.520 -4.328 56 2HD2 ASN 7 2HD2 ASN 7 11.935 8.333 -2.933 57 H GLN 8 H GLN 8 8.468 9.207 -3.175 58 HA GLN 8 HA GLN 8 6.924 11.712 -3.627 59 1HB GLN 8 2HB GLN 8 5.901 9.134 -2.457 60 2HB GLN 8 1HB GLN 8 5.223 10.674 -1.928 61 1HG GLN 8 2HG GLN 8 4.374 11.180 -4.054 62 2HG GLN 8 1HG GLN 8 5.479 10.071 -4.867 63 1HE2 GLN 8 1HE2 GLN 8 5.141 7.650 -3.815 64 2HE2 GLN 8 2HE2 GLN 8 3.518 7.154 -3.800 65 H SER 9 H SER 9 9.367 10.252 -2.032 66 HA SER 9 HA SER 9 8.823 11.212 0.678 67 1HB SER 9 2HB SER 9 10.874 10.244 1.266 68 2HB SER 9 1HB SER 9 10.358 9.231 -0.079 69 HG SER 9 HG SER 9 12.551 10.715 0.139 70 H LEU 10 H LEU 10 10.826 12.588 1.617 71 HA LEU 10 HA LEU 10 10.727 15.124 0.143 72 1HB LEU 10 2HB LEU 10 12.306 15.741 2.202 73 2HB LEU 10 1HB LEU 10 10.562 15.581 2.407 74 HG LEU 10 HG LEU 10 12.190 13.090 2.669 75 1HD1 LEU 10 1HD1 LEU 10 13.538 14.669 3.957 76 2HD1 LEU 10 2HD1 LEU 10 12.650 13.620 5.061 77 3HD1 LEU 10 3HD1 LEU 10 12.096 15.269 4.776 78 1HD2 LEU 10 1HD2 LEU 10 10.489 12.555 4.314 79 2HD2 LEU 10 2HD2 LEU 10 9.679 13.206 2.890 80 3HD2 LEU 10 3HD2 LEU 10 9.905 14.219 4.315 81 H LYS 11 H LYS 11 12.973 12.507 0.648 82 HA LYS 11 HA LYS 11 14.827 13.796 -1.259 83 1HB LYS 11 2HB LYS 11 16.493 12.637 0.750 84 2HB LYS 11 1HB LYS 11 16.378 14.336 0.296 85 1HG LYS 11 2HG LYS 11 14.618 14.724 1.896 86 2HG LYS 11 1HG LYS 11 14.472 13.001 2.236 87 1HD LYS 11 2HD LYS 11 17.183 14.165 2.616 88 2HD LYS 11 1HD LYS 11 15.951 14.691 3.763 89 1HE LYS 11 2HE LYS 11 17.229 12.618 4.462 90 2HE LYS 11 1HE LYS 11 15.478 12.425 4.419 91 1HZ LYS 11 1HZ LYS 11 17.296 11.678 2.195 92 2HZ LYS 11 2HZ LYS 11 15.628 11.370 2.298 93 3HZ LYS 11 3HZ LYS 11 16.707 10.587 3.351 94 HA PRO 12 HA PRO 12 15.326 9.726 -2.864 95 1HB PRO 12 2HB PRO 12 18.204 9.637 -2.772 96 2HB PRO 12 1HB PRO 12 17.164 9.972 -4.158 97 1HG PRO 12 2HG PRO 12 18.796 11.820 -2.663 98 2HG PRO 12 1HG PRO 12 17.825 12.134 -4.105 99 1HD PRO 12 2HD PRO 12 17.292 13.021 -1.437 100 2HD PRO 12 1HD PRO 12 16.243 13.205 -2.864 101 H ASN 13 H ASN 13 16.783 7.598 -2.425 102 HA ASN 13 HA ASN 13 17.164 5.851 -0.914 103 1HB ASN 13 2HB ASN 13 18.225 8.184 0.706 104 2HB ASN 13 1HB ASN 13 18.480 6.488 1.117 105 1HD2 ASN 13 1HD2 ASN 13 19.298 5.186 -1.018 106 2HD2 ASN 13 2HD2 ASN 13 20.577 5.945 -1.836 107 H GLU 14 H GLU 14 14.527 6.841 -0.900 108 HA GLU 14 HA GLU 14 13.769 6.183 1.891 109 1HB GLU 14 2HB GLU 14 13.009 8.697 0.405 110 2HB GLU 14 1HB GLU 14 11.992 8.051 1.696 111 1HG GLU 14 2HG GLU 14 13.855 8.153 3.263 112 2HG GLU 14 1HG GLU 14 14.936 8.698 1.982 113 H CYS 15 H CYS 15 11.272 5.943 1.966 114 HA CYS 15 HA CYS 15 10.094 5.082 -0.608 115 1HB CYS 15 2HB CYS 15 10.655 3.226 1.717 116 2HB CYS 15 1HB CYS 15 9.408 2.878 0.519 117 H GLN 16 H GLN 16 8.989 7.140 0.256 118 HA GLN 16 HA GLN 16 7.004 6.554 2.393 119 1HB GLN 16 2HB GLN 16 8.172 8.645 2.685 120 2HB GLN 16 1HB GLN 16 7.855 9.115 1.016 121 1HG GLN 16 2HG GLN 16 5.502 9.352 1.438 122 2HG GLN 16 1HG GLN 16 5.652 8.599 3.024 123 1HE2 GLN 16 1HE2 GLN 16 5.201 11.565 1.692 124 2HE2 GLN 16 2HE2 GLN 16 5.992 12.534 2.839 125 H ASP 17 H ASP 17 5.359 5.386 1.407 126 HA ASP 17 HA ASP 17 4.374 6.112 -1.250 127 1HB ASP 17 2HB ASP 17 2.956 4.323 0.726 128 2HB ASP 17 1HB ASP 17 2.902 4.270 -1.037 129 H LEU 18 H LEU 18 3.479 8.154 -1.222 130 HA LEU 18 HA LEU 18 1.990 9.880 -0.666 131 1HB LEU 18 2HB LEU 18 0.322 7.438 0.009 132 2HB LEU 18 1HB LEU 18 -0.316 9.080 -0.066 133 HG LEU 18 HG LEU 18 0.635 9.203 -2.435 134 1HD1 LEU 18 1HD1 LEU 18 2.140 7.434 -2.652 135 2HD1 LEU 18 2HD1 LEU 18 0.706 6.762 -3.424 136 3HD1 LEU 18 3HD1 LEU 18 1.108 6.308 -1.769 137 1HD2 LEU 18 1HD2 LEU 18 -1.511 7.122 -1.913 138 2HD2 LEU 18 2HD2 LEU 18 -1.299 8.055 -3.393 139 3HD2 LEU 18 3HD2 LEU 18 -1.778 8.865 -1.903 140 H LYS 19 H LYS 19 0.026 8.731 1.703 141 HA LYS 19 HA LYS 19 1.825 9.796 3.853 142 1HB LYS 19 2HB LYS 19 -1.000 10.281 3.150 143 2HB LYS 19 1HB LYS 19 -0.743 9.954 4.862 144 1HG LYS 19 2HG LYS 19 -0.535 12.340 4.521 145 2HG LYS 19 1HG LYS 19 1.074 11.699 4.852 146 1HD LYS 19 2HD LYS 19 1.475 11.580 2.380 147 2HD LYS 19 1HD LYS 19 -0.079 12.376 2.131 148 1HE LYS 19 2HE LYS 19 2.064 13.573 3.893 149 2HE LYS 19 1HE LYS 19 1.997 13.888 2.159 150 1HZ LYS 19 1HZ LYS 19 -0.092 14.890 2.354 151 2HZ LYS 19 2HZ LYS 19 0.798 15.510 3.661 152 3HZ LYS 19 3HZ LYS 19 -0.350 14.283 3.916 153 H GLY 20 H GLY 20 0.441 6.983 2.691 154 1HA GLY 20 2HA GLY 20 -0.344 5.755 5.196 155 2HA GLY 20 1HA GLY 20 -0.064 4.903 3.677 156 H VAL 21 H VAL 21 2.496 5.212 3.073 157 HA VAL 21 HA VAL 21 3.905 3.993 5.393 158 HB VAL 21 HB VAL 21 4.646 4.097 2.458 159 1HG1 VAL 21 1HG1 VAL 21 5.918 2.784 4.867 160 2HG1 VAL 21 2HG1 VAL 21 6.664 3.900 3.724 161 3HG1 VAL 21 3HG1 VAL 21 6.254 2.260 3.217 162 1HG2 VAL 21 1HG2 VAL 21 3.394 1.975 4.219 163 2HG2 VAL 21 2HG2 VAL 21 4.129 1.608 2.659 164 3HG2 VAL 21 3HG2 VAL 21 2.729 2.678 2.745 165 H SER 22 H SER 22 6.170 4.659 5.790 166 HA SER 22 HA SER 22 7.238 7.084 4.644 167 1HB SER 22 2HB SER 22 5.308 7.916 6.113 168 2HB SER 22 1HB SER 22 6.257 7.368 7.492 169 HG SER 22 HG SER 22 7.045 9.235 5.498 170 H HIS 23 H HIS 23 8.975 5.422 4.595 171 HA HIS 23 HA HIS 23 10.613 5.585 7.048 172 1HB HIS 23 2HB HIS 23 9.372 3.079 5.984 173 2HB HIS 23 1HB HIS 23 11.021 2.969 6.594 174 HD1 HIS 23 1HD HIS 23 7.776 2.443 7.777 175 HD2 HIS 23 2HD HIS 23 11.001 4.591 9.311 176 HE1 HIS 23 1HE HIS 23 7.345 2.708 10.258 177 HA PRO 24 HA PRO 24 13.943 6.025 4.188 178 1HB PRO 24 2HB PRO 24 15.662 4.070 5.425 179 2HB PRO 24 1HB PRO 24 15.726 5.830 5.566 180 1HG PRO 24 2HG PRO 24 14.795 3.895 7.513 181 2HG PRO 24 1HG PRO 24 15.026 5.635 7.709 182 1HD PRO 24 2HD PRO 24 12.544 4.271 7.603 183 2HD PRO 24 1HD PRO 24 12.784 6.032 7.507 184 H LEU 25 H LEU 25 15.441 4.634 2.716 185 HA LEU 25 HA LEU 25 13.954 2.929 1.086 186 1HB LEU 25 2HB LEU 25 16.385 3.926 0.822 187 2HB LEU 25 1HB LEU 25 16.883 2.365 1.474 188 HG LEU 25 HG LEU 25 15.122 2.786 -0.962 189 1HD1 LEU 25 1HD1 LEU 25 17.951 1.715 -0.736 190 2HD1 LEU 25 2HD1 LEU 25 17.539 3.343 -1.273 191 3HD1 LEU 25 3HD1 LEU 25 17.032 1.947 -2.224 192 1HD2 LEU 25 1HD2 LEU 25 15.655 0.251 -1.178 193 2HD2 LEU 25 2HD2 LEU 25 14.429 0.737 -0.009 194 3HD2 LEU 25 3HD2 LEU 25 16.057 0.337 0.537 195 H ASN 26 H ASN 26 12.725 1.455 2.363 196 HA ASN 26 HA ASN 26 13.847 -0.305 4.310 197 1HB ASN 26 2HB ASN 26 11.350 -0.490 2.613 198 2HB ASN 26 1HB ASN 26 11.752 -1.673 3.858 199 1HD2 ASN 26 1HD2 ASN 26 11.352 1.888 3.449 200 2HD2 ASN 26 2HD2 ASN 26 10.757 2.147 5.018 201 H SER 27 H SER 27 12.343 -1.678 1.427 202 HA SER 27 HA SER 27 14.701 -2.694 0.189 203 1HB SER 27 2HB SER 27 13.757 -4.159 2.550 204 2HB SER 27 1HB SER 27 13.873 -5.177 1.118 205 HG SER 27 HG SER 27 15.904 -5.206 1.754 206 H VAL 28 H VAL 28 13.827 -5.084 -0.859 207 HA VAL 28 HA VAL 28 11.283 -4.290 -2.212 208 HB VAL 28 HB VAL 28 12.196 -6.008 -3.941 209 1HG1 VAL 28 1HG1 VAL 28 12.123 -3.491 -4.184 210 2HG1 VAL 28 2HG1 VAL 28 13.435 -4.269 -5.068 211 3HG1 VAL 28 3HG1 VAL 28 13.765 -3.448 -3.542 212 1HG2 VAL 28 1HG2 VAL 28 14.793 -5.281 -2.572 213 2HG2 VAL 28 2HG2 VAL 28 14.553 -6.425 -3.894 214 3HG2 VAL 28 3HG2 VAL 28 13.959 -6.806 -2.278 215 H TRP 29 H TRP 29 9.579 -5.746 -2.206 216 HA TRP 29 HA TRP 29 10.039 -8.513 -1.254 217 1HB TRP 29 2HB TRP 29 8.136 -8.255 0.392 218 2HB TRP 29 1HB TRP 29 9.602 -7.379 0.832 219 HD1 TRP 29 HD TRP 29 6.081 -6.827 -0.552 220 HE1 TRP 29 1HE TRP 29 5.460 -4.342 -0.266 221 HE3 TRP 29 3HE TRP 29 10.548 -4.985 1.104 222 HZ2 TRP 29 2HZ TRP 29 6.696 -1.891 0.552 223 HZ3 TRP 29 3HZ TRP 29 10.797 -2.576 1.629 224 HH2 TRP 29 HH TRP 29 8.878 -1.029 1.357 225 H LYS 30 H LYS 30 8.748 -9.898 -2.390 226 HA LYS 30 HA LYS 30 6.351 -8.754 -3.772 227 1HB LYS 30 2HB LYS 30 6.891 -10.519 -5.568 228 2HB LYS 30 1HB LYS 30 7.915 -9.085 -5.517 229 1HG LYS 30 2HG LYS 30 8.847 -11.268 -3.760 230 2HG LYS 30 1HG LYS 30 8.846 -11.685 -5.473 231 1HD LYS 30 2HD LYS 30 10.156 -9.659 -5.978 232 2HD LYS 30 1HD LYS 30 10.153 -9.227 -4.267 233 1HE LYS 30 2HE LYS 30 11.364 -11.283 -3.716 234 2HE LYS 30 1HE LYS 30 11.317 -11.786 -5.406 235 1HZ LYS 30 1HZ LYS 30 12.542 -9.237 -4.525 236 2HZ LYS 30 2HZ LYS 30 12.701 -10.007 -6.030 237 3HZ LYS 30 3HZ LYS 30 13.423 -10.681 -4.648 238 H THR 31 H THR 31 4.605 -9.657 -2.769 239 HA THR 31 HA THR 31 4.789 -12.525 -1.939 240 HB THR 31 HB THR 31 3.246 -12.079 -0.250 241 HG1 THR 31 1HG THR 31 1.529 -11.038 -0.781 242 1HG2 THR 31 1HG2 THR 31 3.939 -10.042 0.865 243 2HG2 THR 31 2HG2 THR 31 4.505 -9.356 -0.659 244 3HG2 THR 31 3HG2 THR 31 5.342 -10.736 0.051 245 H LYS 32 H LYS 32 4.224 -13.564 -3.868 246 HA LYS 32 HA LYS 32 2.084 -12.658 -5.583 247 1HB LYS 32 2HB LYS 32 3.610 -15.251 -5.323 248 2HB LYS 32 1HB LYS 32 2.268 -15.088 -6.456 249 1HG LYS 32 2HG LYS 32 3.367 -13.335 -7.654 250 2HG LYS 32 1HG LYS 32 4.590 -13.149 -6.397 251 1HD LYS 32 2HD LYS 32 5.602 -15.240 -6.930 252 2HD LYS 32 1HD LYS 32 4.230 -15.735 -7.921 253 1HE LYS 32 2HE LYS 32 5.919 -13.314 -8.581 254 2HE LYS 32 1HE LYS 32 6.284 -14.924 -9.202 255 1HZ LYS 32 1HZ LYS 32 4.660 -13.200 -10.419 256 2HZ LYS 32 2HZ LYS 32 3.530 -14.062 -9.491 257 3HZ LYS 32 3HZ LYS 32 4.536 -14.882 -10.588 258 H ASP 33 H ASP 33 1.263 -12.832 -2.812 259 HA ASP 33 HA ASP 33 -0.980 -14.774 -3.135 260 1HB ASP 33 2HB ASP 33 -0.770 -15.461 -0.802 261 2HB ASP 33 1HB ASP 33 0.756 -15.756 -1.635 262 H CYS 34 H CYS 34 0.043 -11.619 -2.439 263 HA CYS 34 HA CYS 34 -2.699 -10.838 -1.803 264 1HB CYS 34 2HB CYS 34 -0.509 -10.738 0.254 265 2HB CYS 34 1HB CYS 34 -1.803 -9.541 0.281 266 H GLU 35 H GLU 35 0.688 -9.687 -1.782 267 HA GLU 35 HA GLU 35 -0.007 -7.632 -3.748 268 1HB GLU 35 2HB GLU 35 -0.757 -6.424 -1.823 269 2HB GLU 35 1HB GLU 35 0.656 -6.906 -0.886 270 1HG GLU 35 2HG GLU 35 2.108 -5.517 -2.166 271 2HG GLU 35 1HG GLU 35 0.894 -5.280 -3.423 272 H GLU 36 H GLU 36 1.950 -6.361 -4.372 273 HA GLU 36 HA GLU 36 4.535 -7.507 -3.504 274 1HB GLU 36 2HB GLU 36 3.843 -7.345 -6.447 275 2HB GLU 36 1HB GLU 36 5.235 -8.132 -5.704 276 1HG GLU 36 2HG GLU 36 3.663 -9.720 -4.568 277 2HG GLU 36 1HG GLU 36 2.337 -8.991 -5.473 278 H CYS 37 H CYS 37 5.448 -5.596 -2.836 279 HA CYS 37 HA CYS 37 5.346 -3.293 -4.741 280 1HB CYS 37 2HB CYS 37 5.272 -3.374 -1.731 281 2HB CYS 37 1HB CYS 37 5.766 -1.920 -2.596 282 H THR 38 H THR 38 7.236 -2.243 -5.200 283 HA THR 38 HA THR 38 9.736 -3.292 -3.924 284 HB THR 38 HB THR 38 10.826 -3.304 -6.068 285 HG1 THR 38 1HG THR 38 9.505 -2.702 -7.933 286 1HG2 THR 38 1HG2 THR 38 9.248 -5.213 -5.495 287 2HG2 THR 38 2HG2 THR 38 9.616 -5.024 -7.208 288 3HG2 THR 38 3HG2 THR 38 8.076 -4.451 -6.569 289 H CYS 39 H CYS 39 11.500 -1.710 -3.911 290 HA CYS 39 HA CYS 39 10.482 1.104 -4.018 291 1HB CYS 39 2HB CYS 39 12.321 -0.358 -2.194 292 2HB CYS 39 1HB CYS 39 12.772 1.302 -2.579 293 H GLY 40 H GLY 40 11.128 2.079 -5.869 294 1HA GLY 40 2HA GLY 40 13.659 1.254 -7.167 295 2HA GLY 40 1HA GLY 40 12.436 2.315 -7.869 296 H GLN 41 H GLN 41 15.425 2.664 -7.413 297 HA GLN 41 HA GLN 41 15.856 4.605 -5.378 298 1HB GLN 41 2HB GLN 41 17.260 4.041 -7.993 299 2HB GLN 41 1HB GLN 41 17.807 5.306 -6.892 300 1HG GLN 41 2HG GLN 41 17.347 2.471 -5.955 301 2HG GLN 41 1HG GLN 41 18.894 2.992 -6.622 302 1HE2 GLN 41 1HE2 GLN 41 17.464 5.650 -5.114 303 2HE2 GLN 41 2HE2 GLN 41 18.234 5.534 -3.605 304 H ASP 42 H ASP 42 13.999 4.816 -8.193 305 HA ASP 42 HA ASP 42 14.012 7.804 -8.002 306 1HB ASP 42 2HB ASP 42 13.517 7.796 -10.486 307 2HB ASP 42 1HB ASP 42 15.149 7.277 -10.060 308 H ALA 43 H ALA 43 12.225 4.879 -8.025 309 HA ALA 43 HA ALA 43 9.743 6.364 -7.579 310 1HB ALA 43 1HB ALA 43 9.589 6.340 -9.962 311 2HB ALA 43 2HB ALA 43 8.547 5.031 -9.405 312 3HB ALA 43 3HB ALA 43 10.146 4.669 -10.051 313 H ILE 44 H ILE 44 7.877 4.559 -7.467 314 HA ILE 44 HA ILE 44 9.007 2.122 -6.149 315 HB ILE 44 HB ILE 44 6.622 3.702 -5.143 316 1HG1 ILE 44 2HG1 ILE 44 9.528 3.699 -4.295 317 2HG1 ILE 44 1HG1 ILE 44 8.534 5.085 -4.743 318 1HG2 ILE 44 1HG2 ILE 44 6.872 1.162 -4.709 319 2HG2 ILE 44 2HG2 ILE 44 6.617 2.204 -3.309 320 3HG2 ILE 44 3HG2 ILE 44 8.234 1.609 -3.682 321 1HD1 ILE 44 1HD1 ILE 44 8.418 3.425 -2.228 322 2HD1 ILE 44 2HD1 ILE 44 7.034 4.389 -2.741 323 3HD1 ILE 44 3HD1 ILE 44 8.573 5.174 -2.385 324 H SER 45 H SER 45 7.896 0.240 -6.621 325 HA SER 45 HA SER 45 5.565 0.504 -8.483 326 1HB SER 45 2HB SER 45 7.284 -1.956 -8.127 327 2HB SER 45 1HB SER 45 6.215 -1.557 -9.469 328 HG SER 45 HG SER 45 8.687 -0.374 -8.752 329 H CYS 46 H CYS 46 3.690 -0.715 -8.025 330 HA CYS 46 HA CYS 46 3.692 -2.472 -5.649 331 1HB CYS 46 2HB CYS 46 2.433 0.229 -5.766 332 2HB CYS 46 1HB CYS 46 1.500 -1.054 -4.994 333 H CYS 47 H CYS 47 2.302 -4.148 -5.970 334 HA CYS 47 HA CYS 47 0.158 -3.833 -8.037 335 1HB CYS 47 2HB CYS 47 1.616 -6.438 -7.623 336 2HB CYS 47 1HB CYS 47 0.697 -5.896 -9.026 337 H ASN 48 H ASN 48 -1.773 -4.116 -7.043 338 HA ASN 48 HA ASN 48 -1.886 -5.902 -4.641 339 1HB ASN 48 2HB ASN 48 -4.056 -4.642 -4.199 340 2HB ASN 48 1HB ASN 48 -2.581 -3.683 -4.061 341 1HD2 ASN 48 1HD2 ASN 48 -4.227 -1.847 -4.526 342 2HD2 ASN 48 2HD2 ASN 48 -4.542 -1.486 -6.155 343 H THR 49 H THR 49 -3.420 -7.549 -4.579 344 HA THR 49 HA THR 49 -5.111 -7.918 -7.023 345 HB THR 49 HB THR 49 -4.513 -10.202 -7.182 346 HG1 THR 49 1HG THR 49 -4.240 -9.970 -4.570 347 1HG2 THR 49 1HG2 THR 49 -1.974 -8.798 -6.310 348 2HG2 THR 49 2HG2 THR 49 -2.716 -8.616 -7.899 349 3HG2 THR 49 3HG2 THR 49 -2.091 -10.186 -7.392 350 H ALA 50 H ALA 50 -4.888 -7.844 -3.616 351 HA ALA 50 HA ALA 50 -7.081 -9.633 -3.011 352 1HB ALA 50 1HB ALA 50 -5.239 -8.693 -1.425 353 2HB ALA 50 2HB ALA 50 -6.874 -8.882 -0.791 354 3HB ALA 50 3HB ALA 50 -6.298 -7.290 -1.283 355 H ALA 51 H ALA 51 -9.149 -8.742 -1.973 356 HA ALA 51 HA ALA 51 -10.687 -7.306 -3.809 357 1HB ALA 51 1HB ALA 51 -12.110 -6.706 -1.709 358 2HB ALA 51 2HB ALA 51 -10.940 -7.690 -0.831 359 3HB ALA 51 3HB ALA 51 -11.902 -8.408 -2.122 360 H ILE 52 H ILE 52 -11.726 -5.077 -3.334 361 HA ILE 52 HA ILE 52 -9.700 -3.173 -2.260 362 HB ILE 52 HB ILE 52 -11.260 -2.737 -4.819 363 1HG1 ILE 52 2HG1 ILE 52 -8.793 -2.929 -5.742 364 2HG1 ILE 52 1HG1 ILE 52 -8.525 -3.882 -4.285 365 1HG2 ILE 52 1HG2 ILE 52 -10.558 -0.719 -3.512 366 2HG2 ILE 52 2HG2 ILE 52 -9.791 -0.822 -5.097 367 3HG2 ILE 52 3HG2 ILE 52 -8.884 -1.260 -3.649 368 1HD1 ILE 52 1HD1 ILE 52 -9.945 -4.601 -6.736 369 2HD1 ILE 52 2HD1 ILE 52 -10.912 -4.910 -5.296 370 3HD1 ILE 52 3HD1 ILE 52 -9.317 -5.642 -5.461 371 HA PRO 53 HA PRO 53 -13.378 -1.782 -0.088 372 1HB PRO 53 2HB PRO 53 -12.261 0.848 0.264 373 2HB PRO 53 1HB PRO 53 -12.393 -0.453 1.450 374 1HG PRO 53 2HG PRO 53 -10.029 0.503 0.115 375 2HG PRO 53 1HG PRO 53 -10.156 -0.759 1.343 376 1HD PRO 53 2HD PRO 53 -9.580 -1.097 -1.444 377 2HD PRO 53 1HD PRO 53 -9.815 -2.375 -0.224 378 H THR 54 H THR 54 -15.254 -1.023 -1.001 379 HA THR 54 HA THR 54 -15.117 1.294 -2.866 380 HB THR 54 HB THR 54 -15.938 0.174 -4.682 381 HG1 THR 54 1HG THR 54 -17.233 -1.846 -3.279 382 1HG2 THR 54 1HG2 THR 54 -15.102 -2.256 -3.080 383 2HG2 THR 54 2HG2 THR 54 -13.985 -1.191 -3.934 384 3HG2 THR 54 3HG2 THR 54 -15.173 -2.129 -4.836 385 H GLY 55 H GLY 55 -17.318 2.232 -3.226 386 1HA GLY 55 2HA GLY 55 -19.603 2.570 -2.560 387 2HA GLY 55 1HA GLY 55 -19.363 1.433 -1.235 388 H TYR 56 H TYR 56 -16.786 2.806 -0.496 389 HA TYR 56 HA TYR 56 -17.929 4.673 1.387 390 1HB TYR 56 2HB TYR 56 -15.845 4.708 2.354 391 2HB TYR 56 1HB TYR 56 -15.662 3.236 1.404 392 HD1 TYR 56 1HD TYR 56 -14.398 3.254 -0.722 393 HD2 TYR 56 2HD TYR 56 -14.695 6.749 1.755 394 HE1 TYR 56 1HE TYR 56 -12.516 4.291 -1.958 395 HE2 TYR 56 2HE TYR 56 -12.813 7.787 0.520 396 HH TYR 56 HH TYR 56 -11.849 7.093 -2.279 397 H ASP 57 H ASP 57 -17.830 6.945 1.371 398 HA ASP 57 HA ASP 57 -18.012 8.255 -1.145 399 1HB ASP 57 2HB ASP 57 -18.898 9.090 1.085 400 2HB ASP 57 1HB ASP 57 -17.248 9.579 1.469 401 H THR 58 H THR 58 -16.388 8.669 -2.560 402 HA THR 58 HA THR 58 -13.588 8.598 -1.638 403 HB THR 58 HB THR 58 -12.999 8.583 -3.963 404 HG1 THR 58 1HG THR 58 -15.371 8.805 -5.142 405 1HG2 THR 58 1HG2 THR 58 -15.624 7.100 -3.932 406 2HG2 THR 58 2HG2 THR 58 -14.257 6.559 -2.958 407 3HG2 THR 58 3HG2 THR 58 -14.112 6.641 -4.713 408 H ASN 59 H ASN 59 -13.989 10.621 -0.304 409 HA ASN 59 HA ASN 59 -14.280 13.123 -1.829 410 1HB ASN 59 2HB ASN 59 -15.309 12.976 0.386 411 2HB ASN 59 1HB ASN 59 -13.745 12.602 1.111 412 1HD2 ASN 59 1HD2 ASN 59 -12.194 14.348 1.346 413 2HD2 ASN 59 2HD2 ASN 59 -12.629 15.970 1.102 414 H LYS 60 H LYS 60 -11.780 11.661 0.271 415 HA LYS 60 HA LYS 60 -9.631 12.455 -1.476 416 1HB LYS 60 2HB LYS 60 -10.404 14.660 -0.348 417 2HB LYS 60 1HB LYS 60 -9.685 13.998 1.121 418 1HG LYS 60 2HG LYS 60 -7.530 13.729 -0.051 419 2HG LYS 60 1HG LYS 60 -8.247 14.384 -1.522 420 1HD LYS 60 2HD LYS 60 -8.801 16.476 -0.227 421 2HD LYS 60 1HD LYS 60 -7.862 15.822 1.116 422 1HE LYS 60 2HE LYS 60 -6.728 16.149 -1.670 423 2HE LYS 60 1HE LYS 60 -6.592 17.394 -0.429 424 1HZ LYS 60 1HZ LYS 60 -4.983 15.156 -0.774 425 2HZ LYS 60 2HZ LYS 60 -5.862 14.903 0.659 426 3HZ LYS 60 3HZ LYS 60 -4.913 16.300 0.475 427 H CYS 61 H CYS 61 -10.407 10.069 -0.191 428 HA CYS 61 HA CYS 61 -8.474 9.729 2.048 429 1HB CYS 61 2HB CYS 61 -10.456 7.711 0.968 430 2HB CYS 61 1HB CYS 61 -9.626 7.677 2.524 431 H GLN 62 H GLN 62 -7.481 7.370 1.933 432 HA GLN 62 HA GLN 62 -6.488 6.838 -0.834 433 1HB GLN 62 2HB GLN 62 -4.703 8.109 0.048 434 2HB GLN 62 1HB GLN 62 -4.883 7.411 1.655 435 1HG GLN 62 2HG GLN 62 -4.012 5.281 0.901 436 2HG GLN 62 1HG GLN 62 -4.012 5.827 -0.778 437 1HE2 GLN 62 1HE2 GLN 62 -1.719 5.010 1.114 438 2HE2 GLN 62 2HE2 GLN 62 -0.630 6.308 1.021 439 H LYS 63 H LYS 63 -5.860 4.641 -1.165 440 HA LYS 63 HA LYS 63 -6.766 2.769 0.993 441 1HB LYS 63 2HB LYS 63 -6.631 2.119 -1.955 442 2HB LYS 63 1HB LYS 63 -7.518 1.269 -0.690 443 1HG LYS 63 2HG LYS 63 -8.950 3.281 -0.379 444 2HG LYS 63 1HG LYS 63 -8.107 4.062 -1.716 445 1HD LYS 63 2HD LYS 63 -9.402 1.359 -2.070 446 2HD LYS 63 1HD LYS 63 -10.343 2.842 -2.232 447 1HE LYS 63 2HE LYS 63 -8.594 3.637 -3.899 448 2HE LYS 63 1HE LYS 63 -7.934 2.001 -3.862 449 1HZ LYS 63 1HZ LYS 63 -9.736 1.146 -4.915 450 2HZ LYS 63 2HZ LYS 63 -9.776 2.710 -5.578 451 3HZ LYS 63 3HZ LYS 63 -10.809 2.302 -4.292 452 H ILE 64 H ILE 64 -5.375 1.081 1.546 453 HA ILE 64 HA ILE 64 -2.873 0.755 -0.025 454 HB ILE 64 HB ILE 64 -2.738 2.409 2.046 455 1HG1 ILE 64 2HG1 ILE 64 -0.800 1.808 0.726 456 2HG1 ILE 64 1HG1 ILE 64 -0.380 1.628 2.427 457 1HG2 ILE 64 1HG2 ILE 64 -2.248 1.361 4.140 458 2HG2 ILE 64 2HG2 ILE 64 -2.253 -0.245 3.415 459 3HG2 ILE 64 3HG2 ILE 64 -3.760 0.659 3.570 460 1HD1 ILE 64 1HD1 ILE 64 0.447 -0.348 1.447 461 2HD1 ILE 64 2HD1 ILE 64 -0.956 -0.522 0.396 462 3HD1 ILE 64 3HD1 ILE 64 -1.101 -0.849 2.124 463 H LEU 65 H LEU 65 -2.452 -1.381 -0.284 464 HA LEU 65 HA LEU 65 -3.983 -3.323 1.368 465 1HB LEU 65 2HB LEU 65 -4.220 -3.671 -1.000 466 2HB LEU 65 1HB LEU 65 -2.480 -3.559 -1.253 467 HG LEU 65 HG LEU 65 -2.102 -5.644 -0.115 468 1HD1 LEU 65 1HD1 LEU 65 -3.575 -5.600 1.730 469 2HD1 LEU 65 2HD1 LEU 65 -4.201 -6.909 0.728 470 3HD1 LEU 65 3HD1 LEU 65 -4.989 -5.330 0.709 471 1HD2 LEU 65 1HD2 LEU 65 -4.558 -5.887 -1.880 472 2HD2 LEU 65 2HD2 LEU 65 -3.434 -7.191 -1.501 473 3HD2 LEU 65 3HD2 LEU 65 -2.893 -5.810 -2.454 474 H ASN 66 H ASN 66 -2.799 -3.636 3.251 475 HA ASN 66 HA ASN 66 0.121 -3.840 3.187 476 1HB ASN 66 2HB ASN 66 -1.961 -4.222 5.349 477 2HB ASN 66 1HB ASN 66 -0.247 -4.533 5.630 478 1HD2 ASN 66 1HD2 ASN 66 -1.449 -2.473 7.097 479 2HD2 ASN 66 2HD2 ASN 66 -0.901 -0.969 6.532 480 H LYS 67 H LYS 67 1.311 -5.727 3.136 481 HA LYS 67 HA LYS 67 -0.206 -8.230 2.655 482 1HB LYS 67 2HB LYS 67 2.257 -9.040 2.181 483 2HB LYS 67 1HB LYS 67 1.428 -8.026 1.002 484 1HG LYS 67 2HG LYS 67 2.940 -6.616 3.155 485 2HG LYS 67 1HG LYS 67 3.892 -7.437 1.919 486 1HD LYS 67 2HD LYS 67 2.934 -6.153 0.167 487 2HD LYS 67 1HD LYS 67 1.621 -5.580 1.196 488 1HE LYS 67 2HE LYS 67 4.555 -4.897 1.553 489 2HE LYS 67 1HE LYS 67 3.333 -3.825 0.871 490 1HZ LYS 67 1HZ LYS 67 2.099 -4.044 2.984 491 2HZ LYS 67 2HZ LYS 67 3.617 -3.304 3.169 492 3HZ LYS 67 3HZ LYS 67 3.398 -4.926 3.627 493 H LYS 68 H LYS 68 1.191 -6.667 5.268 494 HA LYS 68 HA LYS 68 2.596 -8.693 6.643 495 1HB LYS 68 2HB LYS 68 0.873 -6.397 7.573 496 2HB LYS 68 1HB LYS 68 1.584 -7.515 8.738 497 1HG LYS 68 2HG LYS 68 3.021 -5.516 8.334 498 2HG LYS 68 1HG LYS 68 3.825 -7.024 7.900 499 1HD LYS 68 2HD LYS 68 3.493 -6.662 5.577 500 2HD LYS 68 1HD LYS 68 2.295 -5.400 5.865 501 1HE LYS 68 2HE LYS 68 4.696 -4.669 5.196 502 2HE LYS 68 1HE LYS 68 3.922 -3.838 6.545 503 1HZ LYS 68 1HZ LYS 68 5.660 -6.205 6.921 504 2HZ LYS 68 2HZ LYS 68 5.138 -5.091 8.093 505 3HZ LYS 68 3HZ LYS 68 6.271 -4.623 6.915 506 H THR 69 H THR 69 -0.892 -7.960 6.668 507 HA THR 69 HA THR 69 -1.384 -10.797 7.488 508 HB THR 69 HB THR 69 -3.410 -9.847 8.741 509 HG1 THR 69 1HG THR 69 -1.870 -7.505 8.330 510 1HG2 THR 69 1HG2 THR 69 -2.037 -9.258 10.726 511 2HG2 THR 69 2HG2 THR 69 -0.613 -9.172 9.691 512 3HG2 THR 69 3HG2 THR 69 -1.448 -10.709 9.916 513 H CYS 70 H CYS 70 -1.464 -9.103 4.913 514 HA CYS 70 HA CYS 70 -2.858 -8.889 3.038 515 1HB CYS 70 2HB CYS 70 -3.953 -11.396 4.338 516 2HB CYS 70 1HB CYS 70 -4.457 -10.833 2.744 517 H THR 71 H THR 71 -3.726 -6.893 4.066 518 HA THR 71 HA THR 71 -6.660 -7.118 4.387 519 HB THR 71 HB THR 71 -6.487 -6.990 6.655 520 HG1 THR 71 1HG THR 71 -6.729 -4.974 7.203 521 1HG2 THR 71 1HG2 THR 71 -4.333 -6.263 7.777 522 2HG2 THR 71 2HG2 THR 71 -3.640 -6.088 6.164 523 3HG2 THR 71 3HG2 THR 71 -4.185 -7.670 6.722 524 H TYR 72 H TYR 72 -7.721 -5.032 4.077 525 HA TYR 72 HA TYR 72 -5.986 -3.097 2.591 526 1HB TYR 72 2HB TYR 72 -8.455 -4.360 1.925 527 2HB TYR 72 1HB TYR 72 -8.805 -2.650 2.164 528 HD1 TYR 72 1HD TYR 72 -7.667 -5.055 -0.165 529 HD2 TYR 72 2HD TYR 72 -7.044 -0.986 1.067 530 HE1 TYR 72 1HE TYR 72 -6.676 -4.536 -2.378 531 HE2 TYR 72 2HE TYR 72 -6.053 -0.470 -1.147 532 HH TYR 72 HH TYR 72 -5.226 -2.935 -3.411 533 H THR 73 H THR 73 -5.503 -1.360 3.836 534 HA THR 73 HA THR 73 -7.556 -0.384 5.786 535 HB THR 73 HB THR 73 -5.851 0.234 7.212 536 HG1 THR 73 1HG THR 73 -3.692 0.337 5.619 537 1HG2 THR 73 1HG2 THR 73 -5.600 -2.221 6.581 538 2HG2 THR 73 2HG2 THR 73 -4.172 -1.464 7.285 539 3HG2 THR 73 3HG2 THR 73 -4.265 -1.724 5.543 540 H VAL 74 H VAL 74 -8.208 1.774 5.660 541 HA VAL 74 HA VAL 74 -7.246 3.265 3.249 542 HB VAL 74 HB VAL 74 -9.805 3.828 4.747 543 1HG1 VAL 74 1HG1 VAL 74 -10.469 4.863 2.693 544 2HG1 VAL 74 2HG1 VAL 74 -9.123 4.140 1.815 545 3HG1 VAL 74 3HG1 VAL 74 -8.821 5.408 3.002 546 1HG2 VAL 74 1HG2 VAL 74 -9.275 1.748 2.607 547 2HG2 VAL 74 2HG2 VAL 74 -10.887 2.365 2.967 548 3HG2 VAL 74 3HG2 VAL 74 -9.981 1.493 4.204 549 H VAL 75 H VAL 75 -5.992 5.004 3.678 550 HA VAL 75 HA VAL 75 -6.201 6.278 6.381 551 HB VAL 75 HB VAL 75 -3.910 7.098 5.984 552 1HG1 VAL 75 1HG1 VAL 75 -4.211 4.127 5.441 553 2HG1 VAL 75 2HG1 VAL 75 -4.219 4.884 7.034 554 3HG1 VAL 75 3HG1 VAL 75 -2.757 4.917 6.050 555 1HG2 VAL 75 1HG2 VAL 75 -4.367 5.789 3.305 556 2HG2 VAL 75 2HG2 VAL 75 -2.735 5.996 3.942 557 3HG2 VAL 75 3HG2 VAL 75 -3.753 7.405 3.657 558 H GLU 76 H GLU 76 -5.675 8.707 6.289 559 HA GLU 76 HA GLU 76 -7.091 9.893 3.933 560 1HB GLU 76 2HB GLU 76 -8.034 10.156 6.319 561 2HB GLU 76 1HB GLU 76 -6.670 11.238 6.604 562 1HG GLU 76 2HG GLU 76 -7.370 12.614 4.665 563 2HG GLU 76 1HG GLU 76 -8.757 11.550 4.426 564 H LYS 77 H LYS 77 -5.960 11.286 2.658 565 HA LYS 77 HA LYS 77 -3.141 11.578 2.898 566 1HB LYS 77 2HB LYS 77 -5.190 13.208 1.373 567 2HB LYS 77 1HB LYS 77 -3.450 13.436 1.203 568 1HG LYS 77 2HG LYS 77 -4.579 10.669 0.913 569 2HG LYS 77 1HG LYS 77 -4.752 11.801 -0.428 570 1HD LYS 77 2HD LYS 77 -2.056 11.518 0.860 571 2HD LYS 77 1HD LYS 77 -2.604 10.250 -0.234 572 1HE LYS 77 2HE LYS 77 -2.952 11.878 -2.016 573 2HE LYS 77 1HE LYS 77 -2.538 13.201 -0.926 574 1HZ LYS 77 1HZ LYS 77 -0.522 12.877 -1.861 575 2HZ LYS 77 2HZ LYS 77 -0.808 11.239 -2.212 576 3HZ LYS 77 3HZ LYS 77 -0.390 11.712 -0.635 577 H LYS 78 H LYS 78 -5.601 13.066 4.682 578 HA LYS 78 HA LYS 78 -3.793 15.344 5.408 579 1HB LYS 78 2HB LYS 78 -6.151 15.792 4.422 580 2HB LYS 78 1HB LYS 78 -6.752 15.248 5.987 581 1HG LYS 78 2HG LYS 78 -4.807 16.991 6.789 582 2HG LYS 78 1HG LYS 78 -5.306 17.745 5.276 583 1HD LYS 78 2HD LYS 78 -7.253 16.900 7.442 584 2HD LYS 78 1HD LYS 78 -6.590 18.528 7.306 585 1HE LYS 78 2HE LYS 78 -7.980 17.185 4.985 586 2HE LYS 78 1HE LYS 78 -8.869 18.116 6.191 587 1HZ LYS 78 1HZ LYS 78 -7.191 19.030 4.058 588 2HZ LYS 78 2HZ LYS 78 -6.769 19.718 5.553 589 3HZ LYS 78 3HZ LYS 78 -8.353 19.876 4.958 590 H ASP 79 H ASP 79 -4.615 12.355 6.480 591 HA ASP 79 HA ASP 79 -3.908 13.054 9.243 592 1HB ASP 79 2HB ASP 79 -6.486 13.260 8.908 593 2HB ASP 79 1HB ASP 79 -6.459 11.497 8.871 594 HA PRO 80 HA PRO 80 -2.436 8.930 7.581 595 1HB PRO 80 2HB PRO 80 0.102 9.536 8.801 596 2HB PRO 80 1HB PRO 80 -0.281 9.399 7.084 597 1HG PRO 80 2HG PRO 80 0.324 11.776 8.541 598 2HG PRO 80 1HG PRO 80 -0.138 11.643 6.843 599 1HD PRO 80 2HD PRO 80 -1.713 12.658 9.061 600 2HD PRO 80 1HD PRO 80 -2.136 12.628 7.332 601 H GLY 81 H GLY 81 -3.721 9.828 10.234 602 1HA GLY 81 2HA GLY 81 -2.648 7.566 11.858 603 2HA GLY 81 1HA GLY 81 -2.883 9.143 12.615 604 H LYS 82 H LYS 82 -5.199 8.769 10.253 605 HA LYS 82 HA LYS 82 -7.145 7.452 12.097 606 1HB LYS 82 2HB LYS 82 -7.422 10.135 10.723 607 2HB LYS 82 1HB LYS 82 -8.816 9.229 11.308 608 1HG LYS 82 2HG LYS 82 -6.498 9.727 13.161 609 2HG LYS 82 1HG LYS 82 -7.667 11.013 12.872 610 1HD LYS 82 2HD LYS 82 -9.500 9.436 13.508 611 2HD LYS 82 1HD LYS 82 -8.279 8.230 13.910 612 1HE LYS 82 2HE LYS 82 -8.890 9.360 15.955 613 2HE LYS 82 1HE LYS 82 -7.271 9.899 15.509 614 1HZ LYS 82 1HZ LYS 82 -9.799 11.360 15.459 615 2HZ LYS 82 2HZ LYS 82 -8.674 11.711 14.236 616 3HZ LYS 82 3HZ LYS 82 -8.244 11.899 15.869 617 H THR 83 H THR 83 -8.719 6.231 11.020 618 HA THR 83 HA THR 83 -8.114 5.583 8.228 619 HB THR 83 HB THR 83 -9.911 3.892 8.499 620 HG1 THR 83 1HG THR 83 -10.481 3.892 10.961 621 1HG2 THR 83 1HG2 THR 83 -8.806 2.584 10.279 622 2HG2 THR 83 2HG2 THR 83 -7.967 4.039 10.821 623 3HG2 THR 83 3HG2 THR 83 -7.622 3.362 9.229 624 H CYS 84 H CYS 84 -9.662 5.758 6.491 625 HA CYS 84 HA CYS 84 -11.403 8.136 6.767 626 1HB CYS 84 2HB CYS 84 -10.034 8.152 4.803 627 2HB CYS 84 1HB CYS 84 -10.478 6.495 4.398 628 H ASP 85 H ASP 85 -13.592 7.944 5.577 629 HA ASP 85 HA ASP 85 -15.210 6.012 6.888 630 1HB ASP 85 2HB ASP 85 -15.655 7.784 4.485 631 2HB ASP 85 1HB ASP 85 -16.904 6.669 5.040 632 H VAL 86 H VAL 86 -15.988 4.007 6.249 633 HA VAL 86 HA VAL 86 -15.041 2.943 3.619 634 HB VAL 86 HB VAL 86 -15.122 1.323 6.174 635 1HG1 VAL 86 1HG1 VAL 86 -13.502 -0.078 4.771 636 2HG1 VAL 86 2HG1 VAL 86 -13.992 0.913 3.397 637 3HG1 VAL 86 3HG1 VAL 86 -15.184 -0.077 4.241 638 1HG2 VAL 86 1HG2 VAL 86 -12.847 2.879 4.919 639 2HG2 VAL 86 2HG2 VAL 86 -12.590 1.568 6.071 640 3HG2 VAL 86 3HG2 VAL 86 -13.465 3.018 6.565 641 H THR 87 H THR 87 -16.317 0.854 3.084 642 HA THR 87 HA THR 87 -19.064 0.919 4.234 643 HB THR 87 HB THR 87 -19.848 0.605 1.765 644 HG1 THR 87 1HG THR 87 -17.222 1.025 1.490 645 1HG2 THR 87 1HG2 THR 87 -19.842 3.135 1.472 646 2HG2 THR 87 2HG2 THR 87 -18.884 3.213 2.951 647 3HG2 THR 87 3HG2 THR 87 -20.516 2.545 2.991 648 H GLY 88 H GLY 88 -16.727 -0.771 2.162 649 1HA GLY 88 2HA GLY 88 -17.152 -3.291 3.413 650 2HA GLY 88 1HA GLY 88 -18.144 -3.230 1.957 651 H TRP 89 H TRP 89 -16.680 -5.024 1.257 652 HA TRP 89 HA TRP 89 -14.319 -3.890 -0.157 653 1HB TRP 89 2HB TRP 89 -14.148 -6.573 1.214 654 2HB TRP 89 1HB TRP 89 -12.835 -5.568 0.599 655 HD1 TRP 89 HD TRP 89 -12.718 -3.035 1.896 656 HE1 TRP 89 1HE TRP 89 -12.845 -2.602 4.435 657 HE3 TRP 89 3HE TRP 89 -14.948 -7.368 3.422 658 HZ2 TRP 89 2HZ TRP 89 -13.770 -3.918 6.799 659 HZ3 TRP 89 3HZ TRP 89 -15.440 -7.752 5.820 660 HH2 TRP 89 HH TRP 89 -14.855 -6.035 7.510 661 H VAL 90 H VAL 90 -14.554 -4.386 -2.272 662 HA VAL 90 HA VAL 90 -16.141 -6.819 -2.992 663 HB VAL 90 HB VAL 90 -15.512 -4.435 -4.747 664 1HG1 VAL 90 1HG1 VAL 90 -17.499 -5.348 -6.004 665 2HG1 VAL 90 2HG1 VAL 90 -17.453 -6.753 -4.940 666 3HG1 VAL 90 3HG1 VAL 90 -16.093 -6.412 -6.010 667 1HG2 VAL 90 1HG2 VAL 90 -17.779 -3.651 -4.241 668 2HG2 VAL 90 2HG2 VAL 90 -16.849 -3.778 -2.748 669 3HG2 VAL 90 3HG2 VAL 90 -18.032 -5.020 -3.158 670 H LEU 91 H LEU 91 -15.349 -8.079 -4.827 671 HA LEU 91 HA LEU 91 -12.504 -8.520 -4.723 672 1HB LEU 91 2HB LEU 91 -14.458 -10.151 -5.372 673 2HB LEU 91 1HB LEU 91 -14.230 -9.491 -6.990 674 HG LEU 91 HG LEU 91 -11.677 -10.001 -6.508 675 1HD1 LEU 91 1HD1 LEU 91 -11.968 -10.686 -4.178 676 2HD1 LEU 91 2HD1 LEU 91 -11.446 -12.071 -5.135 677 3HD1 LEU 91 3HD1 LEU 91 -13.137 -11.916 -4.660 678 1HD2 LEU 91 1HD2 LEU 91 -12.987 -11.042 -8.300 679 2HD2 LEU 91 2HD2 LEU 91 -13.734 -12.142 -7.142 680 3HD2 LEU 91 3HD2 LEU 91 -12.010 -12.265 -7.489 Start of MODEL 12 1 1H GLN 1 1HT GLN 1 0.067 -3.364 -16.523 2 2H GLN 1 2HT GLN 1 -0.174 -2.146 -15.364 3 3H GLN 1 3HT GLN 1 -1.505 -2.974 -16.020 4 HA GLN 1 HA GLN 1 -1.411 -4.407 -14.354 5 1HB GLN 1 2HB GLN 1 1.332 -4.927 -15.535 6 2HB GLN 1 1HB GLN 1 0.598 -5.938 -14.289 7 1HG GLN 1 2HG GLN 1 -1.202 -6.573 -15.727 8 2HG GLN 1 1HG GLN 1 -0.791 -5.326 -16.905 9 1HE2 GLN 1 1HE2 GLN 1 0.027 -6.378 -18.723 10 2HE2 GLN 1 2HE2 GLN 1 1.172 -7.631 -18.688 11 H CYS 2 H CYS 2 -0.773 -4.585 -12.151 12 HA CYS 2 HA CYS 2 0.059 -3.720 -10.130 13 1HB CYS 2 2HB CYS 2 2.144 -4.734 -11.231 14 2HB CYS 2 1HB CYS 2 2.561 -3.088 -11.707 15 H TYR 3 H TYR 3 1.136 -1.642 -9.183 16 HA TYR 3 HA TYR 3 0.134 0.700 -10.763 17 1HB TYR 3 2HB TYR 3 -0.770 -0.072 -8.340 18 2HB TYR 3 1HB TYR 3 0.583 0.931 -7.820 19 HD1 TYR 3 1HD TYR 3 0.792 3.214 -9.287 20 HD2 TYR 3 2HD TYR 3 -2.822 1.008 -8.559 21 HE1 TYR 3 1HE TYR 3 -0.545 5.254 -9.736 22 HE2 TYR 3 2HE TYR 3 -4.157 3.048 -9.008 23 HH TYR 3 HH TYR 3 -4.089 5.240 -9.398 24 H PHE 4 H PHE 4 1.609 2.243 -11.302 25 HA PHE 4 HA PHE 4 4.343 2.032 -10.094 26 1HB PHE 4 2HB PHE 4 3.335 2.711 -12.833 27 2HB PHE 4 1HB PHE 4 4.813 3.499 -12.280 28 HD1 PHE 4 1HD PHE 4 3.239 0.280 -13.139 29 HD2 PHE 4 2HD PHE 4 6.840 2.221 -11.832 30 HE1 PHE 4 1HE PHE 4 4.527 -1.780 -13.632 31 HE2 PHE 4 2HE PHE 4 8.129 0.160 -12.325 32 HZ PHE 4 HZ PHE 4 6.972 -1.841 -13.225 33 H ILE 5 H ILE 5 5.138 3.790 -9.018 34 HA ILE 5 HA ILE 5 3.713 6.396 -9.307 35 HB ILE 5 HB ILE 5 4.459 5.017 -6.719 36 1HG1 ILE 5 2HG1 ILE 5 1.769 6.023 -7.684 37 2HG1 ILE 5 1HG1 ILE 5 2.309 4.358 -7.904 38 1HG2 ILE 5 1HG2 ILE 5 4.972 7.332 -6.425 39 2HG2 ILE 5 2HG2 ILE 5 3.372 7.101 -5.719 40 3HG2 ILE 5 3HG2 ILE 5 3.534 7.834 -7.315 41 1HD1 ILE 5 1HD1 ILE 5 2.204 5.735 -5.208 42 2HD1 ILE 5 2HD1 ILE 5 2.487 4.023 -5.522 43 3HD1 ILE 5 3HD1 ILE 5 0.901 4.728 -5.838 44 HA PRO 6 HA PRO 6 8.092 7.417 -9.878 45 1HB PRO 6 2HB PRO 6 7.430 10.218 -9.778 46 2HB PRO 6 1HB PRO 6 7.842 9.241 -11.190 47 1HG PRO 6 2HG PRO 6 5.275 10.293 -10.465 48 2HG PRO 6 1HG PRO 6 5.690 9.316 -11.876 49 1HD PRO 6 2HD PRO 6 4.168 8.519 -9.560 50 2HD PRO 6 1HD PRO 6 4.602 7.529 -10.978 51 H ASN 7 H ASN 7 9.765 8.421 -8.565 52 HA ASN 7 HA ASN 7 9.465 8.218 -5.783 53 1HB ASN 7 2HB ASN 7 11.658 8.342 -6.928 54 2HB ASN 7 1HB ASN 7 11.368 10.046 -7.280 55 1HD2 ASN 7 1HD2 ASN 7 10.297 8.636 -4.222 56 2HD2 ASN 7 2HD2 ASN 7 11.435 9.435 -3.248 57 H GLN 8 H GLN 8 8.672 9.571 -4.213 58 HA GLN 8 HA GLN 8 8.256 12.433 -4.798 59 1HB GLN 8 2HB GLN 8 5.892 12.422 -4.437 60 2HB GLN 8 1HB GLN 8 6.206 11.144 -5.609 61 1HG GLN 8 2HG GLN 8 5.676 10.831 -2.642 62 2HG GLN 8 1HG GLN 8 4.696 10.231 -3.978 63 1HE2 GLN 8 1HE2 GLN 8 6.050 8.699 -5.540 64 2HE2 GLN 8 2HE2 GLN 8 7.052 7.573 -4.761 65 H SER 9 H SER 9 9.677 10.499 -2.860 66 HA SER 9 HA SER 9 8.499 10.831 -0.269 67 1HB SER 9 2HB SER 9 10.424 9.260 -0.997 68 2HB SER 9 1HB SER 9 11.473 10.654 -0.751 69 HG SER 9 HG SER 9 10.356 9.002 1.062 70 H LEU 10 H LEU 10 10.531 11.994 1.284 71 HA LEU 10 HA LEU 10 10.061 14.851 0.663 72 1HB LEU 10 2HB LEU 10 11.416 13.671 3.101 73 2HB LEU 10 1HB LEU 10 10.717 15.282 2.935 74 HG LEU 10 HG LEU 10 9.156 12.686 2.781 75 1HD1 LEU 10 1HD1 LEU 10 9.900 13.061 5.057 76 2HD1 LEU 10 2HD1 LEU 10 8.196 13.507 4.959 77 3HD1 LEU 10 3HD1 LEU 10 9.435 14.760 4.973 78 1HD2 LEU 10 1HD2 LEU 10 8.426 15.607 2.551 79 2HD2 LEU 10 2HD2 LEU 10 7.238 14.417 3.084 80 3HD2 LEU 10 3HD2 LEU 10 7.974 14.273 1.489 81 H LYS 11 H LYS 11 12.677 12.512 0.789 82 HA LYS 11 HA LYS 11 14.476 14.598 -0.334 83 1HB LYS 11 2HB LYS 11 15.518 12.632 1.698 84 2HB LYS 11 1HB LYS 11 16.225 14.163 1.179 85 1HG LYS 11 2HG LYS 11 14.139 15.279 2.179 86 2HG LYS 11 1HG LYS 11 13.822 13.728 2.957 87 1HD LYS 11 2HD LYS 11 16.225 13.850 3.839 88 2HD LYS 11 1HD LYS 11 16.212 15.539 3.328 89 1HE LYS 11 2HE LYS 11 15.523 15.631 5.586 90 2HE LYS 11 1HE LYS 11 14.013 15.726 4.682 91 1HZ LYS 11 1HZ LYS 11 13.822 14.126 6.456 92 2HZ LYS 11 2HZ LYS 11 15.184 13.279 5.892 93 3HZ LYS 11 3HZ LYS 11 13.762 13.324 4.963 94 HA PRO 12 HA PRO 12 15.334 11.408 -3.304 95 1HB PRO 12 2HB PRO 12 18.117 12.121 -3.552 96 2HB PRO 12 1HB PRO 12 16.783 12.532 -4.629 97 1HG PRO 12 2HG PRO 12 18.190 14.252 -2.797 98 2HG PRO 12 1HG PRO 12 16.909 14.678 -3.936 99 1HD PRO 12 2HD PRO 12 16.718 14.553 -1.079 100 2HD PRO 12 1HD PRO 12 15.403 14.861 -2.241 101 H ASN 13 H ASN 13 15.280 10.178 -0.904 102 HA ASN 13 HA ASN 13 17.181 8.071 -1.133 103 1HB ASN 13 2HB ASN 13 18.343 8.560 1.123 104 2HB ASN 13 1HB ASN 13 18.884 9.484 -0.279 105 1HD2 ASN 13 1HD2 ASN 13 19.099 11.667 0.197 106 2HD2 ASN 13 2HD2 ASN 13 18.133 12.530 1.294 107 H GLU 14 H GLU 14 14.372 8.353 -0.759 108 HA GLU 14 HA GLU 14 14.063 6.665 1.645 109 1HB GLU 14 2HB GLU 14 12.752 9.354 1.261 110 2HB GLU 14 1HB GLU 14 11.991 8.104 2.249 111 1HG GLU 14 2HG GLU 14 14.089 7.932 3.578 112 2HG GLU 14 1HG GLU 14 14.758 9.268 2.640 113 H CYS 15 H CYS 15 11.753 5.839 1.752 114 HA CYS 15 HA CYS 15 10.505 5.645 -0.958 115 1HB CYS 15 2HB CYS 15 11.598 3.474 0.754 116 2HB CYS 15 1HB CYS 15 10.019 3.159 0.035 117 H GLN 16 H GLN 16 8.759 6.956 -0.370 118 HA GLN 16 HA GLN 16 7.028 5.889 1.833 119 1HB GLN 16 2HB GLN 16 7.890 7.984 2.607 120 2HB GLN 16 1HB GLN 16 7.622 8.749 1.042 121 1HG GLN 16 2HG GLN 16 5.271 8.771 1.323 122 2HG GLN 16 1HG GLN 16 5.332 7.592 2.632 123 1HE2 GLN 16 1HE2 GLN 16 7.793 10.041 2.727 124 2HE2 GLN 16 2HE2 GLN 16 7.101 10.984 3.955 125 H ASP 17 H ASP 17 4.865 5.663 1.347 126 HA ASP 17 HA ASP 17 3.953 6.572 -1.357 127 1HB ASP 17 2HB ASP 17 3.532 3.888 -0.014 128 2HB ASP 17 1HB ASP 17 2.555 4.442 -1.374 129 H LEU 18 H LEU 18 2.143 7.822 -1.181 130 HA LEU 18 HA LEU 18 0.282 8.863 -0.194 131 1HB LEU 18 2HB LEU 18 -0.133 6.302 1.354 132 2HB LEU 18 1HB LEU 18 -1.350 7.423 0.740 133 HG LEU 18 HG LEU 18 0.406 5.567 -0.890 134 1HD1 LEU 18 1HD1 LEU 18 -2.608 5.748 -0.835 135 2HD1 LEU 18 2HD1 LEU 18 -1.726 4.737 0.308 136 3HD1 LEU 18 3HD1 LEU 18 -1.601 4.424 -1.423 137 1HD2 LEU 18 1HD2 LEU 18 0.251 7.584 -2.161 138 2HD2 LEU 18 2HD2 LEU 18 -1.434 7.827 -1.702 139 3HD2 LEU 18 3HD2 LEU 18 -1.001 6.524 -2.809 140 H LYS 19 H LYS 19 -0.649 8.091 2.572 141 HA LYS 19 HA LYS 19 1.602 9.365 4.090 142 1HB LYS 19 2HB LYS 19 -0.850 10.452 3.711 143 2HB LYS 19 1HB LYS 19 -1.176 9.504 5.160 144 1HG LYS 19 2HG LYS 19 -0.422 11.504 6.094 145 2HG LYS 19 1HG LYS 19 1.078 10.579 6.017 146 1HD LYS 19 2HD LYS 19 1.524 11.642 3.771 147 2HD LYS 19 1HD LYS 19 0.124 12.678 4.047 148 1HE LYS 19 2HE LYS 19 2.420 12.486 6.007 149 2HE LYS 19 1HE LYS 19 2.377 13.673 4.704 150 1HZ LYS 19 1HZ LYS 19 0.527 13.396 6.993 151 2HZ LYS 19 2HZ LYS 19 0.102 14.275 5.604 152 3HZ LYS 19 3HZ LYS 19 1.441 14.749 6.534 153 H GLY 20 H GLY 20 0.629 6.422 3.591 154 1HA GLY 20 2HA GLY 20 0.358 5.640 6.465 155 2HA GLY 20 1HA GLY 20 -0.148 4.645 5.103 156 H VAL 21 H VAL 21 2.233 5.003 3.512 157 HA VAL 21 HA VAL 21 3.983 3.131 4.983 158 HB VAL 21 HB VAL 21 4.388 4.140 2.167 159 1HG1 VAL 21 1HG1 VAL 21 6.205 2.831 3.247 160 2HG1 VAL 21 2HG1 VAL 21 5.487 1.964 1.890 161 3HG1 VAL 21 3HG1 VAL 21 5.062 1.521 3.544 162 1HG2 VAL 21 1HG2 VAL 21 2.084 3.356 2.300 163 2HG2 VAL 21 2HG2 VAL 21 2.595 1.901 3.155 164 3HG2 VAL 21 3HG2 VAL 21 3.050 2.139 1.467 165 H SER 22 H SER 22 6.301 3.496 5.136 166 HA SER 22 HA SER 22 7.529 6.006 4.461 167 1HB SER 22 2HB SER 22 7.602 7.121 6.548 168 2HB SER 22 1HB SER 22 5.927 6.597 6.408 169 HG SER 22 HG SER 22 6.758 4.632 7.556 170 H HIS 23 H HIS 23 9.306 4.755 3.828 171 HA HIS 23 HA HIS 23 10.950 3.683 6.036 172 1HB HIS 23 2HB HIS 23 9.772 2.031 3.814 173 2HB HIS 23 1HB HIS 23 11.345 1.595 4.479 174 HD1 HIS 23 1HD HIS 23 11.361 1.314 7.206 175 HD2 HIS 23 2HD HIS 23 7.641 1.125 5.333 176 HE1 HIS 23 1HE HIS 23 9.779 0.230 8.862 177 HA PRO 24 HA PRO 24 14.224 5.499 3.668 178 1HB PRO 24 2HB PRO 24 16.042 3.292 4.019 179 2HB PRO 24 1HB PRO 24 16.012 4.832 4.883 180 1HG PRO 24 2HG PRO 24 15.211 2.223 5.837 181 2HG PRO 24 1HG PRO 24 15.307 3.741 6.734 182 1HD PRO 24 2HD PRO 24 12.936 2.364 5.962 183 2HD PRO 24 1HD PRO 24 13.042 3.994 6.672 184 H LEU 25 H LEU 25 15.451 5.207 1.644 185 HA LEU 25 HA LEU 25 14.051 3.673 -0.319 186 1HB LEU 25 2HB LEU 25 16.027 5.683 -0.321 187 2HB LEU 25 1HB LEU 25 16.780 4.307 -1.123 188 HG LEU 25 HG LEU 25 14.024 5.333 -1.854 189 1HD1 LEU 25 1HD1 LEU 25 16.758 6.085 -2.891 190 2HD1 LEU 25 2HD1 LEU 25 15.447 7.150 -2.386 191 3HD1 LEU 25 3HD1 LEU 25 15.314 6.243 -3.891 192 1HD2 LEU 25 1HD2 LEU 25 14.497 4.050 -3.938 193 2HD2 LEU 25 2HD2 LEU 25 14.496 3.020 -2.508 194 3HD2 LEU 25 3HD2 LEU 25 16.024 3.515 -3.236 195 H ASN 26 H ASN 26 15.965 2.372 -1.845 196 HA ASN 26 HA ASN 26 16.827 0.187 -2.013 197 1HB ASN 26 2HB ASN 26 18.261 1.357 0.380 198 2HB ASN 26 1HB ASN 26 18.674 -0.223 -0.288 199 1HD2 ASN 26 1HD2 ASN 26 19.027 -0.140 -2.822 200 2HD2 ASN 26 2HD2 ASN 26 19.900 1.197 -3.399 201 H SER 27 H SER 27 14.719 -0.792 -1.485 202 HA SER 27 HA SER 27 14.900 -2.712 0.629 203 1HB SER 27 2HB SER 27 12.869 -1.782 1.923 204 2HB SER 27 1HB SER 27 14.427 -1.011 2.209 205 HG SER 27 HG SER 27 13.332 0.163 0.113 206 H VAL 28 H VAL 28 14.098 -4.262 -0.746 207 HA VAL 28 HA VAL 28 11.479 -3.732 -2.081 208 HB VAL 28 HB VAL 28 12.229 -5.839 -3.402 209 1HG1 VAL 28 1HG1 VAL 28 12.230 -3.401 -4.184 210 2HG1 VAL 28 2HG1 VAL 28 13.358 -4.476 -5.010 211 3HG1 VAL 28 3HG1 VAL 28 13.942 -3.374 -3.764 212 1HG2 VAL 28 1HG2 VAL 28 14.627 -6.241 -3.449 213 2HG2 VAL 28 2HG2 VAL 28 14.065 -6.384 -1.783 214 3HG2 VAL 28 3HG2 VAL 28 14.903 -4.924 -2.309 215 H TRP 29 H TRP 29 9.745 -5.032 -1.533 216 HA TRP 29 HA TRP 29 10.220 -7.543 -0.045 217 1HB TRP 29 2HB TRP 29 8.721 -6.868 1.800 218 2HB TRP 29 1HB TRP 29 10.136 -5.819 1.719 219 HD1 TRP 29 HD TRP 29 6.391 -5.874 0.957 220 HE1 TRP 29 1HE TRP 29 5.561 -3.445 0.704 221 HE3 TRP 29 3HE TRP 29 10.851 -3.396 1.146 222 HZ2 TRP 29 2HZ TRP 29 6.649 -0.801 0.595 223 HZ3 TRP 29 3HZ TRP 29 10.924 -0.924 0.964 224 HH2 TRP 29 HH TRP 29 8.832 0.374 0.690 225 H LYS 30 H LYS 30 8.587 -9.025 -0.408 226 HA LYS 30 HA LYS 30 6.055 -8.064 -1.641 227 1HB LYS 30 2HB LYS 30 6.227 -9.919 -3.334 228 2HB LYS 30 1HB LYS 30 7.421 -8.643 -3.551 229 1HG LYS 30 2HG LYS 30 8.709 -10.596 -3.753 230 2HG LYS 30 1HG LYS 30 8.966 -10.126 -2.075 231 1HD LYS 30 2HD LYS 30 7.971 -12.010 -1.292 232 2HD LYS 30 1HD LYS 30 6.605 -11.845 -2.391 233 1HE LYS 30 2HE LYS 30 7.997 -12.771 -4.229 234 2HE LYS 30 1HE LYS 30 9.324 -12.991 -3.089 235 1HZ LYS 30 1HZ LYS 30 8.427 -14.884 -2.423 236 2HZ LYS 30 2HZ LYS 30 7.202 -14.716 -3.588 237 3HZ LYS 30 3HZ LYS 30 6.974 -14.108 -2.018 238 H THR 31 H THR 31 4.315 -9.634 -1.438 239 HA THR 31 HA THR 31 4.704 -11.390 0.923 240 HB THR 31 HB THR 31 2.307 -11.384 1.120 241 HG1 THR 31 1HG THR 31 2.430 -11.099 -1.502 242 1HG2 THR 31 1HG2 THR 31 2.954 -8.601 0.155 243 2HG2 THR 31 2HG2 THR 31 3.661 -9.246 1.637 244 3HG2 THR 31 3HG2 THR 31 1.910 -9.084 1.493 245 H LYS 32 H LYS 32 3.187 -13.462 0.742 246 HA LYS 32 HA LYS 32 4.328 -15.111 -1.324 247 1HB LYS 32 2HB LYS 32 2.420 -16.719 -0.472 248 2HB LYS 32 1HB LYS 32 3.779 -16.339 0.583 249 1HG LYS 32 2HG LYS 32 1.496 -14.440 0.716 250 2HG LYS 32 1HG LYS 32 1.175 -16.059 1.335 251 1HD LYS 32 2HD LYS 32 3.035 -15.917 2.873 252 2HD LYS 32 1HD LYS 32 3.567 -14.392 2.164 253 1HE LYS 32 2HE LYS 32 2.378 -13.797 4.146 254 2HE LYS 32 1HE LYS 32 1.277 -13.454 2.811 255 1HZ LYS 32 1HZ LYS 32 -0.157 -14.943 3.574 256 2HZ LYS 32 2HZ LYS 32 0.793 -15.079 4.976 257 3HZ LYS 32 3HZ LYS 32 1.031 -16.148 3.677 258 H ASP 33 H ASP 33 1.224 -13.470 -0.945 259 HA ASP 33 HA ASP 33 0.742 -13.362 -3.757 260 1HB ASP 33 2HB ASP 33 -1.312 -14.935 -3.686 261 2HB ASP 33 1HB ASP 33 0.281 -15.686 -3.788 262 H CYS 34 H CYS 34 0.389 -11.199 -2.712 263 HA CYS 34 HA CYS 34 -2.433 -10.673 -2.423 264 1HB CYS 34 2HB CYS 34 -1.818 -11.630 -0.147 265 2HB CYS 34 1HB CYS 34 -0.794 -10.212 0.078 266 H GLU 35 H GLU 35 0.897 -9.584 -2.026 267 HA GLU 35 HA GLU 35 0.249 -7.098 -3.424 268 1HB GLU 35 2HB GLU 35 -0.378 -6.442 -1.164 269 2HB GLU 35 1HB GLU 35 1.149 -7.055 -0.528 270 1HG GLU 35 2HG GLU 35 2.409 -5.374 -1.672 271 2HG GLU 35 1HG GLU 35 1.015 -4.894 -2.639 272 H GLU 36 H GLU 36 2.174 -5.972 -4.092 273 HA GLU 36 HA GLU 36 4.781 -7.225 -3.441 274 1HB GLU 36 2HB GLU 36 3.948 -6.809 -6.322 275 2HB GLU 36 1HB GLU 36 5.365 -7.666 -5.717 276 1HG GLU 36 2HG GLU 36 3.819 -9.321 -4.627 277 2HG GLU 36 1HG GLU 36 2.471 -8.515 -5.430 278 H CYS 37 H CYS 37 5.560 -5.309 -2.553 279 HA CYS 37 HA CYS 37 5.473 -2.882 -4.297 280 1HB CYS 37 2HB CYS 37 5.475 -3.261 -1.321 281 2HB CYS 37 1HB CYS 37 6.124 -1.770 -2.007 282 H THR 38 H THR 38 7.345 -2.340 -5.228 283 HA THR 38 HA THR 38 9.905 -3.146 -3.897 284 HB THR 38 HB THR 38 10.862 -3.607 -6.037 285 HG1 THR 38 1HG THR 38 9.295 -1.775 -6.874 286 1HG2 THR 38 1HG2 THR 38 8.038 -4.657 -6.266 287 2HG2 THR 38 2HG2 THR 38 9.195 -5.290 -5.095 288 3HG2 THR 38 3HG2 THR 38 9.525 -5.423 -6.823 289 H CYS 39 H CYS 39 11.662 -1.613 -4.205 290 HA CYS 39 HA CYS 39 10.675 1.146 -4.817 291 1HB CYS 39 2HB CYS 39 12.628 0.034 -2.845 292 2HB CYS 39 1HB CYS 39 12.947 1.640 -3.499 293 H GLY 40 H GLY 40 11.145 1.338 -7.004 294 1HA GLY 40 2HA GLY 40 13.587 0.327 -8.184 295 2HA GLY 40 1HA GLY 40 12.459 1.444 -8.955 296 H GLN 41 H GLN 41 14.911 2.142 -9.517 297 HA GLN 41 HA GLN 41 16.422 3.593 -7.613 298 1HB GLN 41 2HB GLN 41 16.141 4.036 -10.596 299 2HB GLN 41 1HB GLN 41 17.385 4.777 -9.589 300 1HG GLN 41 2HG GLN 41 16.964 1.785 -9.829 301 2HG GLN 41 1HG GLN 41 18.156 2.691 -10.760 302 1HE2 GLN 41 1HE2 GLN 41 18.903 4.542 -8.622 303 2HE2 GLN 41 2HE2 GLN 41 19.749 3.643 -7.457 304 H ASP 42 H ASP 42 14.080 4.853 -9.991 305 HA ASP 42 HA ASP 42 13.541 7.111 -8.100 306 1HB ASP 42 2HB ASP 42 13.940 7.227 -11.101 307 2HB ASP 42 1HB ASP 42 13.220 8.539 -10.168 308 H ALA 43 H ALA 43 12.115 4.544 -8.620 309 HA ALA 43 HA ALA 43 9.448 5.716 -8.986 310 1HB ALA 43 1HB ALA 43 10.282 3.468 -10.834 311 2HB ALA 43 2HB ALA 43 10.316 5.163 -11.321 312 3HB ALA 43 3HB ALA 43 8.787 4.404 -10.877 313 H ILE 44 H ILE 44 7.907 4.513 -7.897 314 HA ILE 44 HA ILE 44 8.873 1.991 -6.604 315 HB ILE 44 HB ILE 44 6.782 4.009 -5.735 316 1HG1 ILE 44 2HG1 ILE 44 9.327 3.094 -4.363 317 2HG1 ILE 44 1HG1 ILE 44 9.240 4.528 -5.385 318 1HG2 ILE 44 1HG2 ILE 44 7.524 1.284 -4.650 319 2HG2 ILE 44 2HG2 ILE 44 5.923 1.874 -5.097 320 3HG2 ILE 44 3HG2 ILE 44 6.725 2.506 -3.659 321 1HD1 ILE 44 1HD1 ILE 44 8.949 5.112 -2.998 322 2HD1 ILE 44 2HD1 ILE 44 7.554 4.037 -2.912 323 3HD1 ILE 44 3HD1 ILE 44 7.496 5.476 -3.929 324 H SER 45 H SER 45 7.858 0.136 -7.199 325 HA SER 45 HA SER 45 5.306 0.371 -8.746 326 1HB SER 45 2HB SER 45 7.247 -0.641 -9.946 327 2HB SER 45 1HB SER 45 7.321 -1.897 -8.713 328 HG SER 45 HG SER 45 5.871 -2.869 -9.872 329 H CYS 46 H CYS 46 3.553 -0.175 -7.556 330 HA CYS 46 HA CYS 46 3.849 -2.361 -5.527 331 1HB CYS 46 2HB CYS 46 2.455 0.293 -5.370 332 2HB CYS 46 1HB CYS 46 1.821 -1.070 -4.447 333 H CYS 47 H CYS 47 2.565 -4.075 -5.904 334 HA CYS 47 HA CYS 47 0.285 -3.734 -7.817 335 1HB CYS 47 2HB CYS 47 1.459 -6.403 -7.074 336 2HB CYS 47 1HB CYS 47 0.649 -5.921 -8.564 337 H ASN 48 H ASN 48 -1.732 -4.733 -7.277 338 HA ASN 48 HA ASN 48 -1.985 -5.817 -4.515 339 1HB ASN 48 2HB ASN 48 -4.143 -4.345 -4.385 340 2HB ASN 48 1HB ASN 48 -2.582 -3.597 -4.046 341 1HD2 ASN 48 1HD2 ASN 48 -4.320 -4.403 -7.114 342 2HD2 ASN 48 2HD2 ASN 48 -4.160 -2.850 -7.779 343 H THR 49 H THR 49 -2.865 -7.793 -4.890 344 HA THR 49 HA THR 49 -4.823 -8.107 -7.114 345 HB THR 49 HB THR 49 -4.502 -10.547 -6.704 346 HG1 THR 49 1HG THR 49 -2.722 -11.048 -5.274 347 1HG2 THR 49 1HG2 THR 49 -2.081 -8.802 -7.164 348 2HG2 THR 49 2HG2 THR 49 -3.085 -9.608 -8.369 349 3HG2 THR 49 3HG2 THR 49 -2.020 -10.556 -7.331 350 H ALA 50 H ALA 50 -4.749 -7.616 -3.767 351 HA ALA 50 HA ALA 50 -6.983 -9.271 -2.985 352 1HB ALA 50 1HB ALA 50 -7.060 -7.771 -0.987 353 2HB ALA 50 2HB ALA 50 -5.848 -6.743 -1.753 354 3HB ALA 50 3HB ALA 50 -5.443 -8.400 -1.306 355 H ALA 51 H ALA 51 -9.139 -8.404 -2.376 356 HA ALA 51 HA ALA 51 -10.432 -7.048 -4.486 357 1HB ALA 51 1HB ALA 51 -12.333 -6.809 -2.961 358 2HB ALA 51 2HB ALA 51 -11.286 -7.118 -1.575 359 3HB ALA 51 3HB ALA 51 -11.599 -8.399 -2.747 360 H ILE 52 H ILE 52 -11.454 -4.866 -4.412 361 HA ILE 52 HA ILE 52 -9.633 -2.894 -3.102 362 HB ILE 52 HB ILE 52 -11.502 -2.382 -5.420 363 1HG1 ILE 52 2HG1 ILE 52 -9.974 -4.154 -6.103 364 2HG1 ILE 52 1HG1 ILE 52 -9.473 -2.643 -6.861 365 1HG2 ILE 52 1HG2 ILE 52 -9.984 -0.480 -5.813 366 2HG2 ILE 52 2HG2 ILE 52 -9.016 -0.961 -4.421 367 3HG2 ILE 52 3HG2 ILE 52 -10.676 -0.408 -4.193 368 1HD1 ILE 52 1HD1 ILE 52 -7.461 -3.575 -6.030 369 2HD1 ILE 52 2HD1 ILE 52 -8.214 -4.069 -4.515 370 3HD1 ILE 52 3HD1 ILE 52 -7.901 -2.363 -4.828 371 HA PRO 53 HA PRO 53 -13.154 -1.911 -0.496 372 1HB PRO 53 2HB PRO 53 -12.178 0.761 -0.055 373 2HB PRO 53 1HB PRO 53 -12.098 -0.626 1.033 374 1HG PRO 53 2HG PRO 53 -9.954 0.593 -0.442 375 2HG PRO 53 1HG PRO 53 -9.871 -0.773 0.675 376 1HD PRO 53 2HD PRO 53 -9.590 -0.831 -2.184 377 2HD PRO 53 1HD PRO 53 -9.576 -2.213 -1.061 378 H THR 54 H THR 54 -15.162 -1.008 -0.938 379 HA THR 54 HA THR 54 -15.322 1.314 -2.785 380 HB THR 54 HB THR 54 -16.558 0.254 -4.424 381 HG1 THR 54 1HG THR 54 -18.212 -0.450 -3.107 382 1HG2 THR 54 1HG2 THR 54 -15.593 -1.909 -4.933 383 2HG2 THR 54 2HG2 THR 54 -15.121 -2.139 -3.250 384 3HG2 THR 54 3HG2 THR 54 -14.338 -0.894 -4.225 385 H GLY 55 H GLY 55 -17.758 1.981 -2.942 386 1HA GLY 55 2HA GLY 55 -19.820 2.433 -1.873 387 2HA GLY 55 1HA GLY 55 -19.413 1.229 -0.651 388 H TYR 56 H TYR 56 -16.730 2.602 -0.263 389 HA TYR 56 HA TYR 56 -17.642 4.420 1.825 390 1HB TYR 56 2HB TYR 56 -15.573 4.094 2.697 391 2HB TYR 56 1HB TYR 56 -15.382 2.867 1.449 392 HD1 TYR 56 1HD TYR 56 -14.694 6.394 2.348 393 HD2 TYR 56 2HD TYR 56 -13.961 3.231 -0.463 394 HE1 TYR 56 1HE TYR 56 -12.867 7.724 1.330 395 HE2 TYR 56 2HE TYR 56 -12.134 4.560 -1.482 396 HH TYR 56 HH TYR 56 -11.764 7.646 -1.262 397 H ASP 57 H ASP 57 -17.959 6.580 1.586 398 HA ASP 57 HA ASP 57 -17.823 7.907 -0.906 399 1HB ASP 57 2HB ASP 57 -17.538 9.284 1.774 400 2HB ASP 57 1HB ASP 57 -18.260 9.929 0.300 401 H THR 58 H THR 58 -16.109 8.662 -2.046 402 HA THR 58 HA THR 58 -13.444 8.702 -0.749 403 HB THR 58 HB THR 58 -12.535 8.679 -2.939 404 HG1 THR 58 1HG THR 58 -14.421 8.941 -4.634 405 1HG2 THR 58 1HG2 THR 58 -13.922 6.634 -2.218 406 2HG2 THR 58 2HG2 THR 58 -13.538 6.776 -3.933 407 3HG2 THR 58 3HG2 THR 58 -15.142 7.216 -3.348 408 H ASN 59 H ASN 59 -13.818 10.637 0.534 409 HA ASN 59 HA ASN 59 -14.177 13.163 -1.002 410 1HB ASN 59 2HB ASN 59 -14.295 12.485 1.943 411 2HB ASN 59 1HB ASN 59 -14.276 14.150 1.361 412 1HD2 ASN 59 1HD2 ASN 59 -15.871 11.492 -0.388 413 2HD2 ASN 59 2HD2 ASN 59 -17.452 12.067 -0.162 414 H LYS 60 H LYS 60 -12.081 12.006 1.669 415 HA LYS 60 HA LYS 60 -9.724 13.121 0.290 416 1HB LYS 60 2HB LYS 60 -10.686 14.146 2.978 417 2HB LYS 60 1HB LYS 60 -9.081 14.458 2.316 418 1HG LYS 60 2HG LYS 60 -10.278 15.388 0.248 419 2HG LYS 60 1HG LYS 60 -11.751 15.359 1.219 420 1HD LYS 60 2HD LYS 60 -10.617 16.765 2.931 421 2HD LYS 60 1HD LYS 60 -9.194 16.847 1.892 422 1HE LYS 60 2HE LYS 60 -10.770 17.754 0.078 423 2HE LYS 60 1HE LYS 60 -11.948 17.975 1.371 424 1HZ LYS 60 1HZ LYS 60 -10.842 19.990 1.294 425 2HZ LYS 60 2HZ LYS 60 -9.324 19.276 1.018 426 3HZ LYS 60 3HZ LYS 60 -10.044 19.182 2.554 427 H CYS 61 H CYS 61 -9.960 10.526 0.580 428 HA CYS 61 HA CYS 61 -8.157 9.858 2.866 429 1HB CYS 61 2HB CYS 61 -10.593 8.261 2.014 430 2HB CYS 61 1HB CYS 61 -9.424 7.767 3.237 431 H GLN 62 H GLN 62 -7.294 7.497 2.456 432 HA GLN 62 HA GLN 62 -6.881 7.076 -0.478 433 1HB GLN 62 2HB GLN 62 -4.637 6.728 1.507 434 2HB GLN 62 1HB GLN 62 -4.544 6.903 -0.245 435 1HG GLN 62 2HG GLN 62 -3.891 9.022 0.541 436 2HG GLN 62 1HG GLN 62 -5.595 9.245 0.149 437 1HE2 GLN 62 1HE2 GLN 62 -4.117 7.650 3.018 438 2HE2 GLN 62 2HE2 GLN 62 -4.851 8.676 4.153 439 H LYS 63 H LYS 63 -5.716 4.866 -0.782 440 HA LYS 63 HA LYS 63 -6.950 2.882 1.101 441 1HB LYS 63 2HB LYS 63 -6.275 2.143 -1.724 442 2HB LYS 63 1HB LYS 63 -7.573 1.547 -0.689 443 1HG LYS 63 2HG LYS 63 -8.736 3.724 -0.912 444 2HG LYS 63 1HG LYS 63 -7.450 4.290 -1.979 445 1HD LYS 63 2HD LYS 63 -7.945 2.374 -3.512 446 2HD LYS 63 1HD LYS 63 -9.317 1.956 -2.484 447 1HE LYS 63 2HE LYS 63 -9.928 3.370 -4.479 448 2HE LYS 63 1HE LYS 63 -10.384 4.079 -2.930 449 1HZ LYS 63 1HZ LYS 63 -9.302 5.675 -4.420 450 2HZ LYS 63 2HZ LYS 63 -7.898 4.718 -4.424 451 3HZ LYS 63 3HZ LYS 63 -8.427 5.451 -2.985 452 H ILE 64 H ILE 64 -5.604 1.243 1.854 453 HA ILE 64 HA ILE 64 -2.877 1.021 0.686 454 HB ILE 64 HB ILE 64 -3.029 2.598 2.751 455 1HG1 ILE 64 2HG1 ILE 64 -0.924 1.317 3.739 456 2HG1 ILE 64 1HG1 ILE 64 -1.128 0.310 2.306 457 1HG2 ILE 64 1HG2 ILE 64 -2.975 -0.016 4.256 458 2HG2 ILE 64 2HG2 ILE 64 -4.488 0.838 3.957 459 3HG2 ILE 64 3HG2 ILE 64 -3.209 1.614 4.888 460 1HD1 ILE 64 1HD1 ILE 64 -1.235 2.565 1.010 461 2HD1 ILE 64 2HD1 ILE 64 0.337 2.002 1.573 462 3HD1 ILE 64 3HD1 ILE 64 -0.521 3.259 2.465 463 H LEU 65 H LEU 65 -2.145 -1.076 0.644 464 HA LEU 65 HA LEU 65 -3.982 -3.146 1.722 465 1HB LEU 65 2HB LEU 65 -3.004 -3.064 -0.711 466 2HB LEU 65 1HB LEU 65 -1.550 -3.718 0.037 467 HG LEU 65 HG LEU 65 -4.275 -4.971 0.457 468 1HD1 LEU 65 1HD1 LEU 65 -4.055 -5.177 -1.870 469 2HD1 LEU 65 2HD1 LEU 65 -3.321 -6.667 -1.278 470 3HD1 LEU 65 3HD1 LEU 65 -2.300 -5.324 -1.790 471 1HD2 LEU 65 1HD2 LEU 65 -2.714 -5.753 2.069 472 2HD2 LEU 65 2HD2 LEU 65 -1.399 -5.806 0.895 473 3HD2 LEU 65 3HD2 LEU 65 -2.703 -6.990 0.814 474 H ASN 66 H ASN 66 -3.494 -3.960 3.694 475 HA ASN 66 HA ASN 66 -0.846 -3.558 4.868 476 1HB ASN 66 2HB ASN 66 -3.077 -3.518 6.127 477 2HB ASN 66 1HB ASN 66 -3.077 -5.276 5.978 478 1HD2 ASN 66 1HD2 ASN 66 0.118 -4.709 6.104 479 2HD2 ASN 66 2HD2 ASN 66 0.381 -4.725 7.780 480 H LYS 67 H LYS 67 0.782 -4.860 4.150 481 HA LYS 67 HA LYS 67 0.273 -7.530 3.112 482 1HB LYS 67 2HB LYS 67 2.822 -7.648 3.108 483 2HB LYS 67 1HB LYS 67 2.114 -6.357 2.138 484 1HG LYS 67 2HG LYS 67 2.614 -5.584 4.943 485 2HG LYS 67 1HG LYS 67 4.078 -6.001 4.053 486 1HD LYS 67 2HD LYS 67 3.391 -4.430 2.244 487 2HD LYS 67 1HD LYS 67 1.993 -3.966 3.211 488 1HE LYS 67 2HE LYS 67 4.798 -3.790 4.312 489 2HE LYS 67 1HE LYS 67 4.087 -2.471 3.383 490 1HZ LYS 67 1HZ LYS 67 3.279 -3.542 6.000 491 2HZ LYS 67 2HZ LYS 67 2.124 -2.782 5.012 492 3HZ LYS 67 3HZ LYS 67 3.502 -1.929 5.523 493 H LYS 68 H LYS 68 0.809 -6.215 6.233 494 HA LYS 68 HA LYS 68 2.194 -8.286 7.553 495 1HB LYS 68 2HB LYS 68 1.384 -6.048 8.516 496 2HB LYS 68 1HB LYS 68 -0.175 -6.840 8.753 497 1HG LYS 68 2HG LYS 68 0.851 -8.539 10.164 498 2HG LYS 68 1HG LYS 68 2.454 -7.878 9.848 499 1HD LYS 68 2HD LYS 68 1.666 -5.701 10.854 500 2HD LYS 68 1HD LYS 68 0.186 -6.532 11.337 501 1HE LYS 68 2HE LYS 68 2.963 -7.467 12.108 502 2HE LYS 68 1HE LYS 68 1.952 -6.452 13.136 503 1HZ LYS 68 1HZ LYS 68 1.165 -8.387 13.888 504 2HZ LYS 68 2HZ LYS 68 1.746 -9.267 12.556 505 3HZ LYS 68 3HZ LYS 68 0.269 -8.434 12.448 506 H THR 69 H THR 69 -1.290 -7.965 6.889 507 HA THR 69 HA THR 69 -1.539 -10.920 7.284 508 HB THR 69 HB THR 69 -3.901 -10.381 8.123 509 HG1 THR 69 1HG THR 69 -4.011 -8.252 9.052 510 1HG2 THR 69 1HG2 THR 69 -1.417 -9.638 9.677 511 2HG2 THR 69 2HG2 THR 69 -2.290 -11.171 9.697 512 3HG2 THR 69 3HG2 THR 69 -3.012 -9.736 10.423 513 H CYS 70 H CYS 70 -1.306 -8.951 4.921 514 HA CYS 70 HA CYS 70 -2.290 -8.687 2.804 515 1HB CYS 70 2HB CYS 70 -1.900 -11.032 2.551 516 2HB CYS 70 1HB CYS 70 -3.230 -11.442 3.633 517 H THR 71 H THR 71 -3.633 -6.935 3.850 518 HA THR 71 HA THR 71 -6.507 -7.570 3.471 519 HB THR 71 HB THR 71 -7.207 -6.874 5.587 520 HG1 THR 71 1HG THR 71 -5.087 -5.893 6.784 521 1HG2 THR 71 1HG2 THR 71 -4.456 -8.016 6.150 522 2HG2 THR 71 2HG2 THR 71 -5.872 -8.979 5.727 523 3HG2 THR 71 3HG2 THR 71 -5.850 -8.055 7.228 524 H TYR 72 H TYR 72 -7.800 -5.431 3.592 525 HA TYR 72 HA TYR 72 -6.181 -3.275 2.287 526 1HB TYR 72 2HB TYR 72 -8.597 -4.603 1.503 527 2HB TYR 72 1HB TYR 72 -8.996 -2.922 1.851 528 HD1 TYR 72 1HD TYR 72 -7.452 -1.105 0.816 529 HD2 TYR 72 2HD TYR 72 -7.593 -5.178 -0.542 530 HE1 TYR 72 1HE TYR 72 -6.462 -0.417 -1.351 531 HE2 TYR 72 2HE TYR 72 -6.602 -4.489 -2.708 532 HH TYR 72 HH TYR 72 -5.823 -2.810 -3.922 533 H THR 73 H THR 73 -6.303 -1.205 3.147 534 HA THR 73 HA THR 73 -8.313 -0.688 5.281 535 HB THR 73 HB THR 73 -6.796 -0.605 6.956 536 HG1 THR 73 1HG THR 73 -6.156 1.431 6.400 537 1HG2 THR 73 1HG2 THR 73 -5.856 -2.557 5.774 538 2HG2 THR 73 2HG2 THR 73 -4.593 -1.638 6.591 539 3HG2 THR 73 3HG2 THR 73 -4.803 -1.488 4.847 540 H VAL 74 H VAL 74 -8.793 1.546 5.533 541 HA VAL 74 HA VAL 74 -7.757 3.274 3.314 542 HB VAL 74 HB VAL 74 -10.281 3.855 4.850 543 1HG1 VAL 74 1HG1 VAL 74 -10.906 4.974 2.807 544 2HG1 VAL 74 2HG1 VAL 74 -9.564 4.240 1.930 545 3HG1 VAL 74 3HG1 VAL 74 -9.248 5.450 3.173 546 1HG2 VAL 74 1HG2 VAL 74 -10.590 1.546 4.218 547 2HG2 VAL 74 2HG2 VAL 74 -9.929 1.844 2.610 548 3HG2 VAL 74 3HG2 VAL 74 -11.489 2.530 3.063 549 H VAL 75 H VAL 75 -6.362 4.806 4.010 550 HA VAL 75 HA VAL 75 -6.564 5.731 6.850 551 HB VAL 75 HB VAL 75 -4.161 6.568 6.313 552 1HG1 VAL 75 1HG1 VAL 75 -3.237 4.304 6.794 553 2HG1 VAL 75 2HG1 VAL 75 -4.820 3.609 6.447 554 3HG1 VAL 75 3HG1 VAL 75 -4.617 4.694 7.821 555 1HG2 VAL 75 1HG2 VAL 75 -4.570 6.102 3.809 556 2HG2 VAL 75 2HG2 VAL 75 -4.346 4.401 4.211 557 3HG2 VAL 75 3HG2 VAL 75 -3.037 5.550 4.481 558 H GLU 76 H GLU 76 -5.633 8.093 7.025 559 HA GLU 76 HA GLU 76 -7.022 9.728 4.938 560 1HB GLU 76 2HB GLU 76 -6.514 10.159 7.883 561 2HB GLU 76 1HB GLU 76 -6.945 11.498 6.818 562 1HG GLU 76 2HG GLU 76 -9.031 10.458 6.222 563 2HG GLU 76 1HG GLU 76 -8.576 8.954 7.022 564 H LYS 77 H LYS 77 -5.926 11.496 4.038 565 HA LYS 77 HA LYS 77 -3.105 11.285 3.736 566 1HB LYS 77 2HB LYS 77 -5.216 13.212 2.961 567 2HB LYS 77 1HB LYS 77 -3.599 13.903 3.083 568 1HG LYS 77 2HG LYS 77 -4.008 11.314 1.600 569 2HG LYS 77 1HG LYS 77 -4.376 12.845 0.809 570 1HD LYS 77 2HD LYS 77 -2.079 13.644 1.341 571 2HD LYS 77 1HD LYS 77 -1.718 12.066 2.043 572 1HE LYS 77 2HE LYS 77 -0.897 12.056 -0.229 573 2HE LYS 77 1HE LYS 77 -2.330 11.029 -0.174 574 1HZ LYS 77 1HZ LYS 77 -2.028 12.907 -1.981 575 2HZ LYS 77 2HZ LYS 77 -2.724 13.863 -0.760 576 3HZ LYS 77 3HZ LYS 77 -3.553 12.505 -1.356 577 H LYS 78 H LYS 78 -5.045 12.980 6.119 578 HA LYS 78 HA LYS 78 -2.512 14.066 7.303 579 1HB LYS 78 2HB LYS 78 -5.265 15.231 7.044 580 2HB LYS 78 1HB LYS 78 -4.280 15.684 8.434 581 1HG LYS 78 2HG LYS 78 -3.051 15.780 5.694 582 2HG LYS 78 1HG LYS 78 -4.136 17.080 6.189 583 1HD LYS 78 2HD LYS 78 -2.762 17.451 8.214 584 2HD LYS 78 1HD LYS 78 -1.665 16.172 7.697 585 1HE LYS 78 2HE LYS 78 -2.284 18.550 5.941 586 2HE LYS 78 1HE LYS 78 -0.971 18.573 7.117 587 1HZ LYS 78 1HZ LYS 78 -0.332 17.867 4.824 588 2HZ LYS 78 2HZ LYS 78 -1.267 16.467 5.051 589 3HZ LYS 78 3HZ LYS 78 0.078 16.763 6.046 590 H ASP 79 H ASP 79 -4.473 11.553 7.696 591 HA ASP 79 HA ASP 79 -4.056 11.539 10.625 592 1HB ASP 79 2HB ASP 79 -6.630 11.950 9.350 593 2HB ASP 79 1HB ASP 79 -6.647 10.454 10.278 594 HA PRO 80 HA PRO 80 -3.246 7.534 8.323 595 1HB PRO 80 2HB PRO 80 -0.709 7.428 9.682 596 2HB PRO 80 1HB PRO 80 -1.017 7.649 7.958 597 1HG PRO 80 2HG PRO 80 -0.016 9.585 9.779 598 2HG PRO 80 1HG PRO 80 -0.475 9.843 8.093 599 1HD PRO 80 2HD PRO 80 -1.885 10.679 10.519 600 2HD PRO 80 1HD PRO 80 -2.201 11.139 8.828 601 H GLY 81 H GLY 81 -3.425 8.591 11.578 602 1HA GLY 81 2HA GLY 81 -3.109 5.865 12.698 603 2HA GLY 81 1HA GLY 81 -3.343 7.343 13.631 604 H LYS 82 H LYS 82 -5.562 7.816 11.404 605 HA LYS 82 HA LYS 82 -7.655 6.200 12.820 606 1HB LYS 82 2HB LYS 82 -7.689 9.053 11.819 607 2HB LYS 82 1HB LYS 82 -9.175 8.166 12.162 608 1HG LYS 82 2HG LYS 82 -8.297 7.706 14.469 609 2HG LYS 82 1HG LYS 82 -6.929 8.760 14.109 610 1HD LYS 82 2HD LYS 82 -8.339 10.671 13.865 611 2HD LYS 82 1HD LYS 82 -9.797 9.679 13.835 612 1HE LYS 82 2HE LYS 82 -9.388 8.999 16.170 613 2HE LYS 82 1HE LYS 82 -7.928 9.987 16.204 614 1HZ LYS 82 1HZ LYS 82 -10.742 10.852 16.045 615 2HZ LYS 82 2HZ LYS 82 -9.496 11.868 15.497 616 3HZ LYS 82 3HZ LYS 82 -9.531 11.359 17.118 617 H THR 83 H THR 83 -8.706 4.815 11.495 618 HA THR 83 HA THR 83 -8.193 4.746 8.659 619 HB THR 83 HB THR 83 -10.094 3.031 8.699 620 HG1 THR 83 1HG THR 83 -9.835 3.117 11.478 621 1HG2 THR 83 1HG2 THR 83 -7.672 2.811 10.493 622 2HG2 THR 83 2HG2 THR 83 -7.849 2.231 8.837 623 3HG2 THR 83 3HG2 THR 83 -8.723 1.439 10.147 624 H CYS 84 H CYS 84 -9.639 5.248 6.940 625 HA CYS 84 HA CYS 84 -11.430 7.495 7.504 626 1HB CYS 84 2HB CYS 84 -9.933 7.278 5.454 627 2HB CYS 84 1HB CYS 84 -11.057 6.054 4.867 628 H ASP 85 H ASP 85 -13.609 7.288 6.014 629 HA ASP 85 HA ASP 85 -15.271 5.410 7.407 630 1HB ASP 85 2HB ASP 85 -16.000 7.600 6.323 631 2HB ASP 85 1HB ASP 85 -15.947 6.748 4.779 632 H VAL 86 H VAL 86 -16.207 3.464 6.670 633 HA VAL 86 HA VAL 86 -15.092 2.338 4.132 634 HB VAL 86 HB VAL 86 -15.541 0.648 6.590 635 1HG1 VAL 86 1HG1 VAL 86 -13.804 -0.748 5.447 636 2HG1 VAL 86 2HG1 VAL 86 -13.816 0.398 4.108 637 3HG1 VAL 86 3HG1 VAL 86 -15.264 -0.536 4.481 638 1HG2 VAL 86 1HG2 VAL 86 -13.992 2.282 7.389 639 2HG2 VAL 86 2HG2 VAL 86 -13.118 2.306 5.858 640 3HG2 VAL 86 3HG2 VAL 86 -13.014 0.895 6.912 641 H THR 87 H THR 87 -16.426 0.347 3.456 642 HA THR 87 HA THR 87 -19.216 0.384 4.429 643 HB THR 87 HB THR 87 -18.646 0.762 1.486 644 HG1 THR 87 1HG THR 87 -19.252 2.932 1.865 645 1HG2 THR 87 1HG2 THR 87 -21.157 1.263 3.098 646 2HG2 THR 87 2HG2 THR 87 -20.822 -0.261 2.276 647 3HG2 THR 87 3HG2 THR 87 -21.001 1.224 1.342 648 H GLY 88 H GLY 88 -16.925 -0.935 2.049 649 1HA GLY 88 2HA GLY 88 -17.166 -3.620 2.830 650 2HA GLY 88 1HA GLY 88 -18.404 -3.367 1.599 651 H TRP 89 H TRP 89 -16.538 -5.138 0.882 652 HA TRP 89 HA TRP 89 -14.665 -3.618 -0.898 653 1HB TRP 89 2HB TRP 89 -14.186 -6.491 -0.186 654 2HB TRP 89 1HB TRP 89 -13.021 -5.224 -0.573 655 HD1 TRP 89 HD TRP 89 -13.770 -3.012 1.450 656 HE1 TRP 89 1HE TRP 89 -13.431 -3.354 3.982 657 HE3 TRP 89 3HE TRP 89 -13.682 -8.112 1.644 658 HZ2 TRP 89 2HZ TRP 89 -13.158 -5.509 5.844 659 HZ3 TRP 89 3HZ TRP 89 -13.382 -9.283 3.807 660 HH2 TRP 89 HH TRP 89 -13.120 -7.991 5.906 661 H VAL 90 H VAL 90 -14.127 -4.915 -2.934 662 HA VAL 90 HA VAL 90 -16.364 -6.665 -3.818 663 HB VAL 90 HB VAL 90 -15.414 -4.208 -5.318 664 1HG1 VAL 90 1HG1 VAL 90 -17.357 -6.423 -6.014 665 2HG1 VAL 90 2HG1 VAL 90 -15.917 -5.935 -6.908 666 3HG1 VAL 90 3HG1 VAL 90 -17.325 -4.874 -6.858 667 1HG2 VAL 90 1HG2 VAL 90 -16.916 -3.656 -3.459 668 2HG2 VAL 90 2HG2 VAL 90 -18.059 -4.888 -3.993 669 3HG2 VAL 90 3HG2 VAL 90 -17.769 -3.463 -4.990 670 H LEU 91 H LEU 91 -15.159 -8.484 -4.216 671 HA LEU 91 HA LEU 91 -12.475 -8.297 -5.380 672 1HB LEU 91 2HB LEU 91 -12.980 -10.049 -3.733 673 2HB LEU 91 1HB LEU 91 -14.234 -10.698 -4.788 674 HG LEU 91 HG LEU 91 -11.603 -10.394 -6.104 675 1HD1 LEU 91 1HD1 LEU 91 -10.683 -11.072 -4.006 676 2HD1 LEU 91 2HD1 LEU 91 -10.775 -12.536 -4.986 677 3HD1 LEU 91 3HD1 LEU 91 -11.980 -12.235 -3.733 678 1HD2 LEU 91 1HD2 LEU 91 -12.178 -12.678 -6.886 679 2HD2 LEU 91 2HD2 LEU 91 -13.512 -11.554 -7.143 680 3HD2 LEU 91 3HD2 LEU 91 -13.565 -12.693 -5.798 Start of MODEL 13 1 1H GLN 1 1HT GLN 1 -3.385 -7.011 -11.977 2 2H GLN 1 2HT GLN 1 -1.724 -7.331 -12.151 3 3H GLN 1 3HT GLN 1 -2.754 -7.409 -13.501 4 HA GLN 1 HA GLN 1 -1.807 -5.371 -13.831 5 1HB GLN 1 2HB GLN 1 -4.443 -5.421 -13.161 6 2HB GLN 1 1HB GLN 1 -3.849 -4.267 -11.969 7 1HG GLN 1 2HG GLN 1 -2.754 -2.989 -13.827 8 2HG GLN 1 1HG GLN 1 -3.507 -4.094 -14.978 9 1HE2 GLN 1 1HE2 GLN 1 -4.425 -1.920 -12.244 10 2HE2 GLN 1 2HE2 GLN 1 -5.915 -1.464 -12.918 11 H CYS 2 H CYS 2 -1.546 -3.057 -12.524 12 HA CYS 2 HA CYS 2 -0.632 -3.347 -9.781 13 1HB CYS 2 2HB CYS 2 1.210 -4.443 -11.151 14 2HB CYS 2 1HB CYS 2 1.510 -2.858 -11.864 15 H TYR 3 H TYR 3 0.621 -1.247 -9.160 16 HA TYR 3 HA TYR 3 -0.437 1.056 -10.758 17 1HB TYR 3 2HB TYR 3 -1.547 0.391 -8.420 18 2HB TYR 3 1HB TYR 3 -0.170 1.286 -7.781 19 HD1 TYR 3 1HD TYR 3 0.139 3.680 -8.325 20 HD2 TYR 3 2HD TYR 3 -3.317 1.498 -9.644 21 HE1 TYR 3 1HE TYR 3 -1.016 5.815 -8.835 22 HE2 TYR 3 2HE TYR 3 -4.470 3.633 -10.154 23 HH TYR 3 HH TYR 3 -2.846 6.768 -9.634 24 H PHE 4 H PHE 4 0.779 3.139 -10.108 25 HA PHE 4 HA PHE 4 3.599 2.565 -9.318 26 1HB PHE 4 2HB PHE 4 2.600 3.708 -11.899 27 2HB PHE 4 1HB PHE 4 4.080 4.387 -11.218 28 HD1 PHE 4 1HD PHE 4 2.562 1.512 -12.858 29 HD2 PHE 4 2HD PHE 4 6.038 2.898 -10.749 30 HE1 PHE 4 1HE PHE 4 3.846 -0.438 -13.693 31 HE2 PHE 4 2HE PHE 4 7.323 0.949 -11.585 32 HZ PHE 4 HZ PHE 4 6.226 -0.720 -13.058 33 H ILE 5 H ILE 5 4.443 4.122 -7.997 34 HA ILE 5 HA ILE 5 3.053 6.753 -7.811 35 HB ILE 5 HB ILE 5 3.689 4.864 -5.541 36 1HG1 ILE 5 2HG1 ILE 5 1.505 4.566 -6.677 37 2HG1 ILE 5 1HG1 ILE 5 1.302 5.137 -5.023 38 1HG2 ILE 5 1HG2 ILE 5 4.431 6.959 -4.726 39 2HG2 ILE 5 2HG2 ILE 5 2.777 6.817 -4.129 40 3HG2 ILE 5 3HG2 ILE 5 3.124 7.829 -5.532 41 1HD1 ILE 5 1HD1 ILE 5 1.377 7.526 -6.251 42 2HD1 ILE 5 2HD1 ILE 5 -0.118 6.608 -6.086 43 3HD1 ILE 5 3HD1 ILE 5 0.785 6.555 -7.598 44 HA PRO 6 HA PRO 6 7.555 7.480 -8.189 45 1HB PRO 6 2HB PRO 6 6.974 10.292 -8.425 46 2HB PRO 6 1HB PRO 6 7.508 9.175 -9.684 47 1HG PRO 6 2HG PRO 6 4.923 10.353 -9.383 48 2HG PRO 6 1HG PRO 6 5.443 9.188 -10.603 49 1HD PRO 6 2HD PRO 6 3.681 8.751 -8.346 50 2HD PRO 6 1HD PRO 6 4.144 7.596 -9.621 51 H ASN 7 H ASN 7 8.663 7.466 -6.281 52 HA ASN 7 HA ASN 7 7.756 8.405 -3.795 53 1HB ASN 7 2HB ASN 7 9.740 6.908 -4.176 54 2HB ASN 7 1HB ASN 7 10.651 8.328 -4.689 55 1HD2 ASN 7 1HD2 ASN 7 11.453 6.844 -2.384 56 2HD2 ASN 7 2HD2 ASN 7 11.201 7.805 -1.008 57 H GLN 8 H GLN 8 7.602 10.413 -2.897 58 HA GLN 8 HA GLN 8 8.532 12.725 -4.508 59 1HB GLN 8 2HB GLN 8 6.946 12.855 -1.939 60 2HB GLN 8 1HB GLN 8 7.019 14.042 -3.241 61 1HG GLN 8 2HG GLN 8 4.947 12.962 -3.586 62 2HG GLN 8 1HG GLN 8 6.028 12.172 -4.734 63 1HE2 GLN 8 1HE2 GLN 8 6.165 9.919 -4.584 64 2HE2 GLN 8 2HE2 GLN 8 5.618 9.004 -3.262 65 H SER 9 H SER 9 9.675 10.805 -2.018 66 HA SER 9 HA SER 9 10.825 12.746 -0.248 67 1HB SER 9 2HB SER 9 11.540 9.886 -0.913 68 2HB SER 9 1HB SER 9 12.450 10.827 0.266 69 HG SER 9 HG SER 9 10.157 11.270 1.087 70 H LEU 10 H LEU 10 12.955 13.613 -0.223 71 HA LEU 10 HA LEU 10 14.209 13.782 -2.912 72 1HB LEU 10 2HB LEU 10 14.436 15.418 -0.382 73 2HB LEU 10 1HB LEU 10 15.589 15.602 -1.704 74 HG LEU 10 HG LEU 10 12.659 15.676 -2.350 75 1HD1 LEU 10 1HD1 LEU 10 12.646 18.122 -1.914 76 2HD1 LEU 10 2HD1 LEU 10 14.238 17.983 -1.171 77 3HD1 LEU 10 3HD1 LEU 10 12.849 17.190 -0.431 78 1HD2 LEU 10 1HD2 LEU 10 14.576 15.750 -4.046 79 2HD2 LEU 10 2HD2 LEU 10 14.961 17.342 -3.396 80 3HD2 LEU 10 3HD2 LEU 10 13.399 17.057 -4.162 81 H LYS 11 H LYS 11 14.890 12.765 0.398 82 HA LYS 11 HA LYS 11 17.646 12.383 0.326 83 1HB LYS 11 2HB LYS 11 15.412 10.845 1.613 84 2HB LYS 11 1HB LYS 11 17.064 10.244 1.740 85 1HG LYS 11 2HG LYS 11 16.528 13.134 2.358 86 2HG LYS 11 1HG LYS 11 16.103 11.916 3.559 87 1HD LYS 11 2HD LYS 11 18.414 11.034 3.479 88 2HD LYS 11 1HD LYS 11 18.841 12.278 2.303 89 1HE LYS 11 2HE LYS 11 18.095 14.003 4.001 90 2HE LYS 11 1HE LYS 11 17.968 12.691 5.172 91 1HZ LYS 11 1HZ LYS 11 20.224 12.334 5.157 92 2HZ LYS 11 2HZ LYS 11 20.156 14.022 4.982 93 3HZ LYS 11 3HZ LYS 11 20.448 13.036 3.629 94 HA PRO 12 HA PRO 12 17.721 9.592 -3.266 95 1HB PRO 12 2HB PRO 12 20.565 9.295 -2.903 96 2HB PRO 12 1HB PRO 12 19.711 10.227 -4.133 97 1HG PRO 12 2HG PRO 12 21.202 11.225 -1.909 98 2HG PRO 12 1HG PRO 12 20.304 12.153 -3.114 99 1HD PRO 12 2HD PRO 12 19.626 11.702 -0.334 100 2HD PRO 12 1HD PRO 12 18.759 12.695 -1.534 101 H ASN 13 H ASN 13 16.966 8.491 -0.737 102 HA ASN 13 HA ASN 13 17.754 5.766 -1.080 103 1HB ASN 13 2HB ASN 13 18.937 5.583 1.193 104 2HB ASN 13 1HB ASN 13 19.868 6.294 -0.125 105 1HD2 ASN 13 1HD2 ASN 13 18.010 7.109 2.812 106 2HD2 ASN 13 2HD2 ASN 13 18.688 8.653 3.009 107 H GLU 14 H GLU 14 15.273 6.834 -0.889 108 HA GLU 14 HA GLU 14 14.324 5.798 1.742 109 1HB GLU 14 2HB GLU 14 13.707 8.462 0.476 110 2HB GLU 14 1HB GLU 14 12.531 7.688 1.538 111 1HG GLU 14 2HG GLU 14 14.340 7.488 3.274 112 2HG GLU 14 1HG GLU 14 15.375 8.460 2.228 113 H CYS 15 H CYS 15 11.812 5.583 1.592 114 HA CYS 15 HA CYS 15 10.790 5.041 -1.106 115 1HB CYS 15 2HB CYS 15 11.714 2.881 0.735 116 2HB CYS 15 1HB CYS 15 10.201 2.604 -0.129 117 H GLN 16 H GLN 16 9.361 6.740 -0.147 118 HA GLN 16 HA GLN 16 7.441 5.663 1.872 119 1HB GLN 16 2HB GLN 16 6.815 7.949 2.301 120 2HB GLN 16 1HB GLN 16 8.577 7.887 2.281 121 1HG GLN 16 2HG GLN 16 8.196 9.729 0.910 122 2HG GLN 16 1HG GLN 16 8.261 8.437 -0.288 123 1HE2 GLN 16 1HE2 GLN 16 6.445 8.225 -1.624 124 2HE2 GLN 16 2HE2 GLN 16 4.939 8.949 -1.326 125 H ASP 17 H ASP 17 5.125 6.086 1.462 126 HA ASP 17 HA ASP 17 4.402 6.566 -1.377 127 1HB ASP 17 2HB ASP 17 4.723 4.016 -0.708 128 2HB ASP 17 1HB ASP 17 3.127 4.228 0.013 129 H LEU 18 H LEU 18 2.458 7.655 -1.540 130 HA LEU 18 HA LEU 18 0.598 8.883 -0.802 131 1HB LEU 18 2HB LEU 18 0.271 6.759 1.322 132 2HB LEU 18 1HB LEU 18 -0.983 7.696 0.510 133 HG LEU 18 HG LEU 18 0.752 5.529 -0.701 134 1HD1 LEU 18 1HD1 LEU 18 -1.286 4.907 0.680 135 2HD1 LEU 18 2HD1 LEU 18 -1.318 4.342 -0.989 136 3HD1 LEU 18 3HD1 LEU 18 -2.262 5.753 -0.519 137 1HD2 LEU 18 1HD2 LEU 18 -0.727 6.023 -2.751 138 2HD2 LEU 18 2HD2 LEU 18 0.559 7.179 -2.408 139 3HD2 LEU 18 3HD2 LEU 18 -1.105 7.556 -1.964 140 H LYS 19 H LYS 19 -0.276 8.739 2.097 141 HA LYS 19 HA LYS 19 1.904 10.467 3.213 142 1HB LYS 19 2HB LYS 19 -0.622 11.279 2.658 143 2HB LYS 19 1HB LYS 19 -0.866 10.678 4.297 144 1HG LYS 19 2HG LYS 19 -0.238 12.883 4.721 145 2HG LYS 19 1HG LYS 19 1.323 12.068 4.814 146 1HD LYS 19 2HD LYS 19 1.554 12.578 2.304 147 2HD LYS 19 1HD LYS 19 0.195 13.680 2.520 148 1HE LYS 19 2HE LYS 19 1.478 14.812 4.354 149 2HE LYS 19 1HE LYS 19 2.859 13.789 3.960 150 1HZ LYS 19 1HZ LYS 19 2.517 14.667 1.597 151 2HZ LYS 19 2HZ LYS 19 3.229 15.705 2.739 152 3HZ LYS 19 3HZ LYS 19 1.592 15.890 2.322 153 H GLY 20 H GLY 20 0.675 7.449 3.474 154 1HA GLY 20 2HA GLY 20 0.839 7.365 6.455 155 2HA GLY 20 1HA GLY 20 0.096 6.124 5.449 156 H VAL 21 H VAL 21 2.105 5.753 3.528 157 HA VAL 21 HA VAL 21 3.961 4.109 5.042 158 HB VAL 21 HB VAL 21 3.970 4.827 2.099 159 1HG1 VAL 21 1HG1 VAL 21 5.360 2.676 3.714 160 2HG1 VAL 21 2HG1 VAL 21 6.115 3.943 2.749 161 3HG1 VAL 21 3HG1 VAL 21 5.234 2.639 1.956 162 1HG2 VAL 21 1HG2 VAL 21 1.864 3.741 2.907 163 2HG2 VAL 21 2HG2 VAL 21 2.830 2.399 3.516 164 3HG2 VAL 21 3HG2 VAL 21 2.768 2.725 1.786 165 H SER 22 H SER 22 6.259 4.372 5.135 166 HA SER 22 HA SER 22 7.749 6.500 4.020 167 1HB SER 22 2HB SER 22 6.632 8.175 5.197 168 2HB SER 22 1HB SER 22 6.327 7.136 6.586 169 HG SER 22 HG SER 22 8.385 7.412 7.251 170 H HIS 23 H HIS 23 9.335 4.854 3.961 171 HA HIS 23 HA HIS 23 10.765 4.451 6.515 172 1HB HIS 23 2HB HIS 23 9.480 2.255 4.900 173 2HB HIS 23 1HB HIS 23 10.927 1.926 5.851 174 HD1 HIS 23 1HD HIS 23 10.544 3.302 8.423 175 HD2 HIS 23 2HD HIS 23 7.315 1.555 6.449 176 HE1 HIS 23 1HE HIS 23 8.761 2.906 10.177 177 HA PRO 24 HA PRO 24 14.315 4.952 3.918 178 1HB PRO 24 2HB PRO 24 15.806 2.795 5.112 179 2HB PRO 24 1HB PRO 24 15.965 4.528 5.407 180 1HG PRO 24 2HG PRO 24 14.777 2.511 7.111 181 2HG PRO 24 1HG PRO 24 15.081 4.214 7.467 182 1HD PRO 24 2HD PRO 24 12.547 3.002 7.051 183 2HD PRO 24 1HD PRO 24 12.884 4.747 7.148 184 H LEU 25 H LEU 25 15.541 3.848 2.200 185 HA LEU 25 HA LEU 25 14.037 2.038 0.648 186 1HB LEU 25 2HB LEU 25 16.437 3.426 0.347 187 2HB LEU 25 1HB LEU 25 16.934 1.738 0.264 188 HG LEU 25 HG LEU 25 14.716 2.986 -1.388 189 1HD1 LEU 25 1HD1 LEU 25 17.514 2.112 -2.166 190 2HD1 LEU 25 2HD1 LEU 25 16.966 3.781 -2.031 191 3HD1 LEU 25 3HD1 LEU 25 16.285 2.729 -3.269 192 1HD2 LEU 25 1HD2 LEU 25 15.834 0.203 -1.114 193 2HD2 LEU 25 2HD2 LEU 25 15.184 0.729 -2.666 194 3HD2 LEU 25 3HD2 LEU 25 14.151 0.717 -1.239 195 H ASN 26 H ASN 26 14.464 -0.267 0.201 196 HA ASN 26 HA ASN 26 16.133 -1.782 2.025 197 1HB ASN 26 2HB ASN 26 13.137 -1.723 2.360 198 2HB ASN 26 1HB ASN 26 14.079 -3.134 2.844 199 1HD2 ASN 26 1HD2 ASN 26 12.652 -0.710 4.340 200 2HD2 ASN 26 2HD2 ASN 26 13.811 -0.281 5.503 201 H SER 27 H SER 27 15.980 -1.569 -0.810 202 HA SER 27 HA SER 27 16.032 -3.005 -2.668 203 1HB SER 27 2HB SER 27 16.519 -5.229 -2.261 204 2HB SER 27 1HB SER 27 16.847 -4.570 -0.660 205 HG SER 27 HG SER 27 14.287 -5.021 -0.708 206 H VAL 28 H VAL 28 14.441 -5.310 -3.151 207 HA VAL 28 HA VAL 28 11.730 -4.071 -3.216 208 HB VAL 28 HB VAL 28 11.372 -5.586 -5.149 209 1HG1 VAL 28 1HG1 VAL 28 13.934 -4.042 -5.544 210 2HG1 VAL 28 2HG1 VAL 28 12.383 -3.234 -5.322 211 3HG1 VAL 28 3HG1 VAL 28 12.631 -4.300 -6.704 212 1HG2 VAL 28 1HG2 VAL 28 12.873 -7.395 -4.578 213 2HG2 VAL 28 2HG2 VAL 28 14.262 -6.307 -4.611 214 3HG2 VAL 28 3HG2 VAL 28 13.415 -6.702 -6.106 215 H TRP 29 H TRP 29 10.006 -5.224 -2.363 216 HA TRP 29 HA TRP 29 10.559 -7.991 -1.366 217 1HB TRP 29 2HB TRP 29 9.246 -7.450 0.667 218 2HB TRP 29 1HB TRP 29 10.690 -6.446 0.537 219 HD1 TRP 29 HD TRP 29 6.936 -6.285 0.598 220 HE1 TRP 29 1HE TRP 29 6.173 -3.826 0.484 221 HE3 TRP 29 3HE TRP 29 11.384 -4.032 -0.500 222 HZ2 TRP 29 2HZ TRP 29 7.300 -1.243 -0.009 223 HZ3 TRP 29 3HZ TRP 29 11.511 -1.573 -0.786 224 HH2 TRP 29 HH TRP 29 9.477 -0.177 -0.542 225 H LYS 30 H LYS 30 9.052 -9.412 -2.056 226 HA LYS 30 HA LYS 30 6.348 -8.371 -2.800 227 1HB LYS 30 2HB LYS 30 7.660 -10.636 -4.294 228 2HB LYS 30 1HB LYS 30 6.332 -9.596 -4.807 229 1HG LYS 30 2HG LYS 30 8.031 -8.606 -6.014 230 2HG LYS 30 1HG LYS 30 8.210 -7.702 -4.512 231 1HD LYS 30 2HD LYS 30 10.403 -8.404 -4.855 232 2HD LYS 30 1HD LYS 30 9.796 -9.719 -3.850 233 1HE LYS 30 2HE LYS 30 9.142 -10.858 -6.083 234 2HE LYS 30 1HE LYS 30 10.223 -9.685 -6.836 235 1HZ LYS 30 1HZ LYS 30 10.867 -12.042 -5.403 236 2HZ LYS 30 2HZ LYS 30 11.587 -10.693 -4.662 237 3HZ LYS 30 3HZ LYS 30 11.886 -11.026 -6.300 238 H THR 31 H THR 31 4.885 -9.327 -1.482 239 HA THR 31 HA THR 31 5.515 -11.735 0.015 240 HB THR 31 HB THR 31 3.371 -11.464 1.022 241 HG1 THR 31 1HG THR 31 1.722 -10.432 0.031 242 1HG2 THR 31 1HG2 THR 31 5.009 -9.632 1.478 243 2HG2 THR 31 2HG2 THR 31 3.331 -9.109 1.628 244 3HG2 THR 31 3HG2 THR 31 4.259 -8.690 0.188 245 H LYS 32 H LYS 32 4.176 -11.090 -3.087 246 HA LYS 32 HA LYS 32 3.163 -12.485 -4.683 247 1HB LYS 32 2HB LYS 32 5.460 -13.577 -4.163 248 2HB LYS 32 1HB LYS 32 4.527 -14.769 -3.258 249 1HG LYS 32 2HG LYS 32 3.086 -14.956 -5.416 250 2HG LYS 32 1HG LYS 32 4.448 -14.166 -6.212 251 1HD LYS 32 2HD LYS 32 4.577 -16.739 -4.611 252 2HD LYS 32 1HD LYS 32 4.677 -16.607 -6.367 253 1HE LYS 32 2HE LYS 32 6.682 -15.067 -6.002 254 2HE LYS 32 1HE LYS 32 6.654 -15.588 -4.317 255 1HZ LYS 32 1HZ LYS 32 6.459 -17.886 -5.828 256 2HZ LYS 32 2HZ LYS 32 7.810 -17.350 -4.948 257 3HZ LYS 32 3HZ LYS 32 7.651 -16.952 -6.592 258 H ASP 33 H ASP 33 1.596 -11.980 -2.307 259 HA ASP 33 HA ASP 33 -0.391 -14.042 -2.612 260 1HB ASP 33 2HB ASP 33 1.244 -15.261 -1.174 261 2HB ASP 33 1HB ASP 33 1.071 -13.995 0.044 262 H CYS 34 H CYS 34 0.897 -11.447 -0.576 263 HA CYS 34 HA CYS 34 -1.909 -10.593 0.009 264 1HB CYS 34 2HB CYS 34 0.651 -9.805 1.426 265 2HB CYS 34 1HB CYS 34 -0.989 -9.376 1.914 266 H GLU 35 H GLU 35 1.305 -9.303 -0.831 267 HA GLU 35 HA GLU 35 0.075 -7.364 -2.647 268 1HB GLU 35 2HB GLU 35 -0.224 -6.141 -0.580 269 2HB GLU 35 1HB GLU 35 1.438 -6.468 -0.090 270 1HG GLU 35 2HG GLU 35 2.330 -5.041 -1.760 271 2HG GLU 35 1HG GLU 35 0.807 -4.994 -2.649 272 H GLU 36 H GLU 36 1.815 -6.035 -3.732 273 HA GLU 36 HA GLU 36 4.517 -7.287 -3.567 274 1HB GLU 36 2HB GLU 36 3.199 -6.644 -6.210 275 2HB GLU 36 1HB GLU 36 4.650 -7.604 -5.921 276 1HG GLU 36 2HG GLU 36 3.197 -9.242 -4.650 277 2HG GLU 36 1HG GLU 36 1.796 -8.343 -5.233 278 H CYS 37 H CYS 37 5.551 -5.472 -2.750 279 HA CYS 37 HA CYS 37 5.266 -2.946 -4.327 280 1HB CYS 37 2HB CYS 37 5.571 -3.432 -1.381 281 2HB CYS 37 1HB CYS 37 6.137 -1.917 -2.085 282 H THR 38 H THR 38 7.074 -2.192 -5.262 283 HA THR 38 HA THR 38 9.711 -3.283 -4.346 284 HB THR 38 HB THR 38 10.424 -3.492 -6.581 285 HG1 THR 38 1HG THR 38 8.540 -1.528 -6.962 286 1HG2 THR 38 1HG2 THR 38 7.479 -4.100 -6.852 287 2HG2 THR 38 2HG2 THR 38 8.556 -5.088 -5.867 288 3HG2 THR 38 3HG2 THR 38 8.834 -4.940 -7.603 289 H CYS 39 H CYS 39 11.539 -1.775 -4.841 290 HA CYS 39 HA CYS 39 10.632 1.070 -4.619 291 1HB CYS 39 2HB CYS 39 12.920 -0.474 -3.452 292 2HB CYS 39 1HB CYS 39 13.146 1.246 -3.767 293 H GLY 40 H GLY 40 10.569 1.576 -6.839 294 1HA GLY 40 2HA GLY 40 12.647 0.860 -8.698 295 2HA GLY 40 1HA GLY 40 11.444 2.127 -8.950 296 H GLN 41 H GLN 41 14.635 1.774 -8.950 297 HA GLN 41 HA GLN 41 15.802 3.570 -7.165 298 1HB GLN 41 2HB GLN 41 16.456 3.357 -10.120 299 2HB GLN 41 1HB GLN 41 17.531 3.945 -8.852 300 1HG GLN 41 2HG GLN 41 16.338 1.159 -8.888 301 2HG GLN 41 1HG GLN 41 17.944 1.547 -9.507 302 1HE2 GLN 41 1HE2 GLN 41 17.494 -0.220 -7.243 303 2HE2 GLN 41 2HE2 GLN 41 18.177 0.519 -5.876 304 H ASP 42 H ASP 42 13.438 4.264 -9.542 305 HA ASP 42 HA ASP 42 13.886 7.194 -9.108 306 1HB ASP 42 2HB ASP 42 12.947 5.895 -11.684 307 2HB ASP 42 1HB ASP 42 13.202 7.620 -11.413 308 H ALA 43 H ALA 43 11.794 4.563 -8.809 309 HA ALA 43 HA ALA 43 9.603 6.336 -8.014 310 1HB ALA 43 1HB ALA 43 7.965 5.167 -9.563 311 2HB ALA 43 2HB ALA 43 9.361 4.526 -10.430 312 3HB ALA 43 3HB ALA 43 9.088 6.267 -10.361 313 H ILE 44 H ILE 44 7.590 4.767 -7.530 314 HA ILE 44 HA ILE 44 8.660 2.273 -6.255 315 HB ILE 44 HB ILE 44 6.656 4.253 -5.122 316 1HG1 ILE 44 2HG1 ILE 44 9.314 3.349 -3.985 317 2HG1 ILE 44 1HG1 ILE 44 9.152 4.786 -4.997 318 1HG2 ILE 44 1HG2 ILE 44 5.914 2.068 -4.499 319 2HG2 ILE 44 2HG2 ILE 44 6.816 2.682 -3.114 320 3HG2 ILE 44 3HG2 ILE 44 7.563 1.516 -4.205 321 1HD1 ILE 44 1HD1 ILE 44 7.640 4.290 -2.415 322 2HD1 ILE 44 2HD1 ILE 44 7.524 5.734 -3.420 323 3HD1 ILE 44 3HD1 ILE 44 9.032 5.357 -2.589 324 H SER 45 H SER 45 7.543 0.487 -6.893 325 HA SER 45 HA SER 45 4.884 0.896 -8.210 326 1HB SER 45 2HB SER 45 5.348 -0.960 -9.579 327 2HB SER 45 1HB SER 45 6.911 -0.157 -9.460 328 HG SER 45 HG SER 45 6.016 -2.550 -8.349 329 H CYS 46 H CYS 46 3.114 -0.144 -7.353 330 HA CYS 46 HA CYS 46 3.558 -2.277 -5.325 331 1HB CYS 46 2HB CYS 46 2.200 0.366 -4.892 332 2HB CYS 46 1HB CYS 46 1.630 -1.054 -4.015 333 H CYS 47 H CYS 47 2.368 -3.971 -5.986 334 HA CYS 47 HA CYS 47 -0.172 -3.444 -7.479 335 1HB CYS 47 2HB CYS 47 1.089 -6.154 -7.455 336 2HB CYS 47 1HB CYS 47 0.240 -5.323 -8.758 337 H ASN 48 H ASN 48 -2.065 -4.516 -6.797 338 HA ASN 48 HA ASN 48 -1.857 -6.050 -4.229 339 1HB ASN 48 2HB ASN 48 -4.143 -4.979 -3.714 340 2HB ASN 48 1HB ASN 48 -2.725 -3.941 -3.561 341 1HD2 ASN 48 1HD2 ASN 48 -4.970 -4.952 -6.215 342 2HD2 ASN 48 2HD2 ASN 48 -5.118 -3.394 -6.872 343 H THR 49 H THR 49 -2.995 -7.947 -4.226 344 HA THR 49 HA THR 49 -4.722 -8.507 -6.609 345 HB THR 49 HB THR 49 -4.037 -10.749 -6.519 346 HG1 THR 49 1HG THR 49 -4.054 -10.278 -3.901 347 1HG2 THR 49 1HG2 THR 49 -2.173 -9.142 -7.083 348 2HG2 THR 49 2HG2 THR 49 -1.627 -10.704 -6.471 349 3HG2 THR 49 3HG2 THR 49 -1.622 -9.294 -5.413 350 H ALA 50 H ALA 50 -4.831 -7.889 -3.301 351 HA ALA 50 HA ALA 50 -7.051 -9.697 -2.671 352 1HB ALA 50 1HB ALA 50 -5.855 -7.352 -1.165 353 2HB ALA 50 2HB ALA 50 -5.527 -9.060 -0.881 354 3HB ALA 50 3HB ALA 50 -7.122 -8.400 -0.530 355 H ALA 51 H ALA 51 -9.197 -8.846 -2.022 356 HA ALA 51 HA ALA 51 -10.457 -7.293 -3.979 357 1HB ALA 51 1HB ALA 51 -12.210 -6.848 -2.165 358 2HB ALA 51 2HB ALA 51 -11.154 -7.740 -1.070 359 3HB ALA 51 3HB ALA 51 -11.837 -8.541 -2.484 360 H ILE 52 H ILE 52 -11.041 -5.070 -4.103 361 HA ILE 52 HA ILE 52 -9.324 -3.277 -2.447 362 HB ILE 52 HB ILE 52 -10.618 -2.706 -5.126 363 1HG1 ILE 52 2HG1 ILE 52 -8.050 -2.789 -5.758 364 2HG1 ILE 52 1HG1 ILE 52 -7.934 -3.820 -4.335 365 1HG2 ILE 52 1HG2 ILE 52 -8.469 -1.235 -3.571 366 2HG2 ILE 52 2HG2 ILE 52 -10.150 -0.723 -3.705 367 3HG2 ILE 52 3HG2 ILE 52 -9.125 -0.762 -5.138 368 1HD1 ILE 52 1HD1 ILE 52 -9.044 -4.415 -6.978 369 2HD1 ILE 52 2HD1 ILE 52 -10.149 -4.845 -5.674 370 3HD1 ILE 52 3HD1 ILE 52 -8.520 -5.519 -5.709 371 HA PRO 53 HA PRO 53 -13.207 -1.996 -0.566 372 1HB PRO 53 2HB PRO 53 -12.032 0.498 0.267 373 2HB PRO 53 1HB PRO 53 -12.367 -0.934 1.244 374 1HG PRO 53 2HG PRO 53 -9.816 0.048 0.367 375 2HG PRO 53 1HG PRO 53 -10.153 -1.375 1.358 376 1HD PRO 53 2HD PRO 53 -9.259 -1.307 -1.378 377 2HD PRO 53 1HD PRO 53 -9.635 -2.739 -0.386 378 H THR 54 H THR 54 -14.911 -1.024 -1.610 379 HA THR 54 HA THR 54 -14.438 1.517 -3.085 380 HB THR 54 HB THR 54 -15.020 0.709 -5.142 381 HG1 THR 54 1HG THR 54 -16.856 -0.793 -3.646 382 1HG2 THR 54 1HG2 THR 54 -14.334 -1.595 -5.527 383 2HG2 THR 54 2HG2 THR 54 -14.512 -1.964 -3.812 384 3HG2 THR 54 3HG2 THR 54 -13.248 -0.858 -4.349 385 H GLY 55 H GLY 55 -16.942 1.901 -4.125 386 1HA GLY 55 2HA GLY 55 -19.160 2.438 -3.564 387 2HA GLY 55 1HA GLY 55 -19.072 1.211 -2.301 388 H TYR 56 H TYR 56 -16.497 2.845 -1.465 389 HA TYR 56 HA TYR 56 -17.943 4.445 0.523 390 1HB TYR 56 2HB TYR 56 -15.928 4.558 1.683 391 2HB TYR 56 1HB TYR 56 -15.731 3.042 0.807 392 HD1 TYR 56 1HD TYR 56 -14.599 6.495 1.159 393 HD2 TYR 56 2HD TYR 56 -14.336 2.951 -1.252 394 HE1 TYR 56 1HE TYR 56 -12.577 7.402 0.049 395 HE2 TYR 56 2HE TYR 56 -12.313 3.858 -2.364 396 HH TYR 56 HH TYR 56 -11.215 7.150 -1.777 397 H ASP 57 H ASP 57 -18.054 6.684 0.571 398 HA ASP 57 HA ASP 57 -18.012 8.197 -1.769 399 1HB ASP 57 2HB ASP 57 -18.971 8.960 0.404 400 2HB ASP 57 1HB ASP 57 -17.332 9.232 1.000 401 H THR 58 H THR 58 -16.215 8.009 -3.103 402 HA THR 58 HA THR 58 -13.504 8.226 -2.031 403 HB THR 58 HB THR 58 -13.483 6.903 -3.933 404 HG1 THR 58 1HG THR 58 -13.164 9.527 -4.959 405 1HG2 THR 58 1HG2 THR 58 -15.607 8.782 -4.969 406 2HG2 THR 58 2HG2 THR 58 -15.751 7.060 -4.613 407 3HG2 THR 58 3HG2 THR 58 -14.819 7.597 -6.011 408 H ASN 59 H ASN 59 -13.778 10.343 -0.996 409 HA ASN 59 HA ASN 59 -14.041 12.654 -2.843 410 1HB ASN 59 2HB ASN 59 -15.289 12.614 -0.663 411 2HB ASN 59 1HB ASN 59 -13.737 12.645 0.173 412 1HD2 ASN 59 1HD2 ASN 59 -13.959 14.784 1.062 413 2HD2 ASN 59 2HD2 ASN 59 -14.007 16.175 0.090 414 H LYS 60 H LYS 60 -11.753 11.323 -0.445 415 HA LYS 60 HA LYS 60 -9.472 12.148 -2.003 416 1HB LYS 60 2HB LYS 60 -10.510 14.281 -0.739 417 2HB LYS 60 1HB LYS 60 -9.539 13.646 0.587 418 1HG LYS 60 2HG LYS 60 -7.568 13.583 -0.975 419 2HG LYS 60 1HG LYS 60 -8.564 14.393 -2.185 420 1HD LYS 60 2HD LYS 60 -9.004 16.110 -0.213 421 2HD LYS 60 1HD LYS 60 -7.484 15.460 0.403 422 1HE LYS 60 2HE LYS 60 -8.000 17.036 -2.091 423 2HE LYS 60 1HE LYS 60 -6.682 17.182 -0.931 424 1HZ LYS 60 1HZ LYS 60 -5.474 15.978 -2.325 425 2HZ LYS 60 2HZ LYS 60 -6.816 15.639 -3.311 426 3HZ LYS 60 3HZ LYS 60 -6.467 14.649 -1.975 427 H CYS 61 H CYS 61 -9.628 9.717 -1.308 428 HA CYS 61 HA CYS 61 -7.822 9.390 1.028 429 1HB CYS 61 2HB CYS 61 -10.355 7.764 0.657 430 2HB CYS 61 1HB CYS 61 -9.170 7.568 1.946 431 H GLN 62 H GLN 62 -7.073 6.991 1.084 432 HA GLN 62 HA GLN 62 -6.989 5.815 -1.656 433 1HB GLN 62 2HB GLN 62 -4.510 6.095 0.055 434 2HB GLN 62 1HB GLN 62 -4.610 5.626 -1.642 435 1HG GLN 62 2HG GLN 62 -3.925 7.895 -1.693 436 2HG GLN 62 1HG GLN 62 -5.653 7.946 -2.042 437 1HE2 GLN 62 1HE2 GLN 62 -6.140 9.992 -1.095 438 2HE2 GLN 62 2HE2 GLN 62 -5.939 10.320 0.559 439 H LYS 63 H LYS 63 -5.894 3.569 -1.507 440 HA LYS 63 HA LYS 63 -6.849 2.231 0.996 441 1HB LYS 63 2HB LYS 63 -6.351 0.812 -1.619 442 2HB LYS 63 1HB LYS 63 -7.398 0.334 -0.283 443 1HG LYS 63 2HG LYS 63 -9.045 1.173 -1.640 444 2HG LYS 63 1HG LYS 63 -8.546 2.708 -0.932 445 1HD LYS 63 2HD LYS 63 -6.962 3.034 -2.829 446 2HD LYS 63 1HD LYS 63 -7.558 1.539 -3.551 447 1HE LYS 63 2HE LYS 63 -8.749 3.367 -4.585 448 2HE LYS 63 1HE LYS 63 -9.875 2.542 -3.507 449 1HZ LYS 63 1HZ LYS 63 -9.964 4.287 -2.116 450 2HZ LYS 63 2HZ LYS 63 -9.461 5.170 -3.478 451 3HZ LYS 63 3HZ LYS 63 -8.326 4.683 -2.311 452 H ILE 64 H ILE 64 -5.376 1.057 2.171 453 HA ILE 64 HA ILE 64 -2.652 0.674 0.984 454 HB ILE 64 HB ILE 64 -3.481 1.681 3.702 455 1HG1 ILE 64 2HG1 ILE 64 -1.283 2.559 1.808 456 2HG1 ILE 64 1HG1 ILE 64 -2.915 3.228 1.780 457 1HG2 ILE 64 1HG2 ILE 64 -0.951 0.222 2.933 458 2HG2 ILE 64 2HG2 ILE 64 -1.991 -0.052 4.330 459 3HG2 ILE 64 3HG2 ILE 64 -0.975 1.388 4.256 460 1HD1 ILE 64 1HD1 ILE 64 -1.027 3.271 4.154 461 2HD1 ILE 64 2HD1 ILE 64 -2.667 3.919 4.141 462 3HD1 ILE 64 3HD1 ILE 64 -1.422 4.649 3.127 463 H LEU 65 H LEU 65 -1.843 -1.373 1.162 464 HA LEU 65 HA LEU 65 -3.550 -3.424 2.416 465 1HB LEU 65 2HB LEU 65 -2.063 -3.371 0.104 466 2HB LEU 65 1HB LEU 65 -0.963 -4.206 1.191 467 HG LEU 65 HG LEU 65 -2.450 -5.743 -0.081 468 1HD1 LEU 65 1HD1 LEU 65 -3.382 -6.910 2.062 469 2HD1 LEU 65 2HD1 LEU 65 -2.538 -5.623 2.918 470 3HD1 LEU 65 3HD1 LEU 65 -1.640 -6.721 1.876 471 1HD2 LEU 65 1HD2 LEU 65 -4.803 -5.112 1.608 472 2HD2 LEU 65 2HD2 LEU 65 -4.724 -5.600 -0.083 473 3HD2 LEU 65 3HD2 LEU 65 -4.431 -3.922 0.359 474 H ASN 66 H ASN 66 -3.198 -3.909 4.527 475 HA ASN 66 HA ASN 66 -0.688 -3.180 5.841 476 1HB ASN 66 2HB ASN 66 -3.049 -3.153 6.887 477 2HB ASN 66 1HB ASN 66 -2.872 -4.904 7.022 478 1HD2 ASN 66 1HD2 ASN 66 -0.512 -2.216 7.529 479 2HD2 ASN 66 2HD2 ASN 66 -0.086 -2.694 9.101 480 H LYS 67 H LYS 67 1.071 -4.456 5.520 481 HA LYS 67 HA LYS 67 0.789 -7.254 4.738 482 1HB LYS 67 2HB LYS 67 3.331 -5.826 5.557 483 2HB LYS 67 1HB LYS 67 3.181 -7.251 4.530 484 1HG LYS 67 2HG LYS 67 2.076 -5.952 2.798 485 2HG LYS 67 1HG LYS 67 2.038 -4.529 3.838 486 1HD LYS 67 2HD LYS 67 4.491 -4.455 3.867 487 2HD LYS 67 1HD LYS 67 4.559 -5.908 2.869 488 1HE LYS 67 2HE LYS 67 3.079 -3.434 1.967 489 2HE LYS 67 1HE LYS 67 4.800 -3.654 1.651 490 1HZ LYS 67 1HZ LYS 67 4.348 -5.658 0.467 491 2HZ LYS 67 2HZ LYS 67 3.339 -4.443 -0.162 492 3HZ LYS 67 3HZ LYS 67 2.707 -5.616 0.894 493 H LYS 68 H LYS 68 0.964 -5.589 7.730 494 HA LYS 68 HA LYS 68 2.394 -7.395 9.360 495 1HB LYS 68 2HB LYS 68 1.331 -5.154 10.026 496 2HB LYS 68 1HB LYS 68 -0.175 -6.052 10.224 497 1HG LYS 68 2HG LYS 68 0.949 -7.570 11.823 498 2HG LYS 68 1HG LYS 68 2.438 -6.641 11.646 499 1HD LYS 68 2HD LYS 68 1.230 -4.613 12.444 500 2HD LYS 68 1HD LYS 68 -0.207 -5.603 12.708 501 1HE LYS 68 2HE LYS 68 1.223 -7.076 14.207 502 2HE LYS 68 1HE LYS 68 2.473 -5.837 14.096 503 1HZ LYS 68 1HZ LYS 68 0.615 -5.825 15.968 504 2HZ LYS 68 2HZ LYS 68 -0.212 -4.937 14.778 505 3HZ LYS 68 3HZ LYS 68 1.295 -4.399 15.352 506 H THR 69 H THR 69 -1.061 -7.413 8.483 507 HA THR 69 HA THR 69 -1.095 -10.347 9.071 508 HB THR 69 HB THR 69 -3.535 -9.940 9.769 509 HG1 THR 69 1HG THR 69 -4.185 -7.955 9.844 510 1HG2 THR 69 1HG2 THR 69 -1.258 -8.835 11.434 511 2HG2 THR 69 2HG2 THR 69 -1.819 -10.507 11.400 512 3HG2 THR 69 3HG2 THR 69 -2.852 -9.243 12.067 513 H CYS 70 H CYS 70 -0.828 -8.655 6.573 514 HA CYS 70 HA CYS 70 -1.739 -8.570 4.408 515 1HB CYS 70 2HB CYS 70 -2.659 -11.292 5.369 516 2HB CYS 70 1HB CYS 70 -2.816 -10.744 3.700 517 H THR 71 H THR 71 -3.201 -6.817 5.208 518 HA THR 71 HA THR 71 -6.038 -7.633 4.836 519 HB THR 71 HB THR 71 -6.813 -6.644 6.814 520 HG1 THR 71 1HG THR 71 -4.963 -5.423 8.023 521 1HG2 THR 71 1HG2 THR 71 -5.529 -7.611 8.615 522 2HG2 THR 71 2HG2 THR 71 -4.066 -7.622 7.631 523 3HG2 THR 71 3HG2 THR 71 -5.407 -8.693 7.228 524 H TYR 72 H TYR 72 -7.415 -5.533 4.642 525 HA TYR 72 HA TYR 72 -5.836 -3.573 3.022 526 1HB TYR 72 2HB TYR 72 -8.219 -5.024 2.452 527 2HB TYR 72 1HB TYR 72 -8.684 -3.332 2.620 528 HD1 TYR 72 1HD TYR 72 -7.776 -5.644 0.248 529 HD2 TYR 72 2HD TYR 72 -6.668 -1.712 1.577 530 HE1 TYR 72 1HE TYR 72 -6.823 -5.155 -1.989 531 HE2 TYR 72 2HE TYR 72 -5.716 -1.225 -0.660 532 HH TYR 72 HH TYR 72 -6.405 -2.675 -3.306 533 H THR 73 H THR 73 -6.125 -1.363 3.398 534 HA THR 73 HA THR 73 -7.947 -0.542 5.599 535 HB THR 73 HB THR 73 -6.202 0.613 6.795 536 HG1 THR 73 1HG THR 73 -4.978 1.220 4.975 537 1HG2 THR 73 1HG2 THR 73 -5.035 -2.078 6.064 538 2HG2 THR 73 2HG2 THR 73 -6.460 -1.906 7.088 539 3HG2 THR 73 3HG2 THR 73 -4.916 -1.230 7.605 540 H VAL 74 H VAL 74 -7.910 1.958 5.739 541 HA VAL 74 HA VAL 74 -7.330 3.190 3.085 542 HB VAL 74 HB VAL 74 -9.902 3.748 4.568 543 1HG1 VAL 74 1HG1 VAL 74 -8.915 5.272 2.740 544 2HG1 VAL 74 2HG1 VAL 74 -10.586 4.749 2.526 545 3HG1 VAL 74 3HG1 VAL 74 -9.293 3.967 1.616 546 1HG2 VAL 74 1HG2 VAL 74 -9.336 1.632 2.471 547 2HG2 VAL 74 2HG2 VAL 74 -10.959 2.198 2.866 548 3HG2 VAL 74 3HG2 VAL 74 -9.987 1.382 4.090 549 H VAL 75 H VAL 75 -6.536 5.273 3.259 550 HA VAL 75 HA VAL 75 -6.683 6.580 5.949 551 HB VAL 75 HB VAL 75 -4.333 7.333 5.621 552 1HG1 VAL 75 1HG1 VAL 75 -4.804 5.318 6.956 553 2HG1 VAL 75 2HG1 VAL 75 -3.287 5.136 6.076 554 3HG1 VAL 75 3HG1 VAL 75 -4.744 4.329 5.498 555 1HG2 VAL 75 1HG2 VAL 75 -4.432 5.424 3.261 556 2HG2 VAL 75 2HG2 VAL 75 -2.984 6.227 3.865 557 3HG2 VAL 75 3HG2 VAL 75 -4.286 7.177 3.157 558 H GLU 76 H GLU 76 -6.013 8.969 5.727 559 HA GLU 76 HA GLU 76 -7.144 10.053 3.174 560 1HB GLU 76 2HB GLU 76 -8.362 10.404 5.460 561 2HB GLU 76 1HB GLU 76 -7.085 11.579 5.771 562 1HG GLU 76 2HG GLU 76 -7.652 12.729 3.643 563 2HG GLU 76 1HG GLU 76 -8.969 11.582 3.395 564 H LYS 77 H LYS 77 -5.721 11.207 1.970 565 HA LYS 77 HA LYS 77 -3.008 11.542 2.526 566 1HB LYS 77 2HB LYS 77 -4.908 13.151 0.820 567 2HB LYS 77 1HB LYS 77 -3.198 13.563 0.914 568 1HG LYS 77 2HG LYS 77 -3.689 10.691 0.463 569 2HG LYS 77 1HG LYS 77 -4.287 11.719 -0.838 570 1HD LYS 77 2HD LYS 77 -2.068 12.801 -0.996 571 2HD LYS 77 1HD LYS 77 -1.470 11.750 0.289 572 1HE LYS 77 2HE LYS 77 -1.617 9.820 -1.051 573 2HE LYS 77 1HE LYS 77 -2.728 10.583 -2.189 574 1HZ LYS 77 1HZ LYS 77 0.179 10.979 -1.898 575 2HZ LYS 77 2HZ LYS 77 -0.788 12.177 -2.618 576 3HZ LYS 77 3HZ LYS 77 -0.713 10.620 -3.294 577 H LYS 78 H LYS 78 -5.596 13.086 4.087 578 HA LYS 78 HA LYS 78 -3.792 15.269 5.070 579 1HB LYS 78 2HB LYS 78 -6.042 15.803 3.870 580 2HB LYS 78 1HB LYS 78 -6.792 15.268 5.374 581 1HG LYS 78 2HG LYS 78 -4.984 16.913 6.446 582 2HG LYS 78 1HG LYS 78 -5.077 17.669 4.856 583 1HD LYS 78 2HD LYS 78 -7.519 17.882 5.087 584 2HD LYS 78 1HD LYS 78 -7.444 17.104 6.667 585 1HE LYS 78 2HE LYS 78 -5.739 18.991 7.253 586 2HE LYS 78 1HE LYS 78 -6.427 19.818 5.855 587 1HZ LYS 78 1HZ LYS 78 -8.042 20.477 7.203 588 2HZ LYS 78 2HZ LYS 78 -7.528 19.450 8.455 589 3HZ LYS 78 3HZ LYS 78 -8.584 18.871 7.256 590 H ASP 79 H ASP 79 -4.908 12.286 5.938 591 HA ASP 79 HA ASP 79 -4.407 12.839 8.783 592 1HB ASP 79 2HB ASP 79 -6.923 13.211 8.237 593 2HB ASP 79 1HB ASP 79 -6.994 11.455 8.091 594 HA PRO 80 HA PRO 80 -3.031 8.703 7.065 595 1HB PRO 80 2HB PRO 80 -0.537 9.147 8.438 596 2HB PRO 80 1HB PRO 80 -0.830 9.080 6.699 597 1HG PRO 80 2HG PRO 80 -0.181 11.377 8.254 598 2HG PRO 80 1HG PRO 80 -0.580 11.322 6.534 599 1HD PRO 80 2HD PRO 80 -2.199 12.327 8.737 600 2HD PRO 80 1HD PRO 80 -2.533 12.410 6.989 601 H GLY 81 H GLY 81 -3.919 9.976 9.965 602 1HA GLY 81 2HA GLY 81 -3.097 7.566 11.539 603 2HA GLY 81 1HA GLY 81 -3.574 9.111 12.245 604 H LYS 82 H LYS 82 -5.862 9.478 10.453 605 HA LYS 82 HA LYS 82 -7.716 7.564 11.790 606 1HB LYS 82 2HB LYS 82 -8.229 10.205 10.387 607 2HB LYS 82 1HB LYS 82 -9.474 9.203 11.134 608 1HG LYS 82 2HG LYS 82 -8.079 9.346 13.283 609 2HG LYS 82 1HG LYS 82 -7.182 10.637 12.483 610 1HD LYS 82 2HD LYS 82 -9.324 11.851 12.107 611 2HD LYS 82 1HD LYS 82 -10.168 10.590 13.005 612 1HE LYS 82 2HE LYS 82 -8.769 11.073 14.989 613 2HE LYS 82 1HE LYS 82 -7.953 12.354 14.091 614 1HZ LYS 82 1HZ LYS 82 -9.554 13.624 14.981 615 2HZ LYS 82 2HZ LYS 82 -10.597 12.315 15.273 616 3HZ LYS 82 3HZ LYS 82 -10.513 13.010 13.724 617 H THR 83 H THR 83 -9.320 6.458 10.543 618 HA THR 83 HA THR 83 -8.461 5.910 7.766 619 HB THR 83 HB THR 83 -10.287 4.135 7.934 620 HG1 THR 83 1HG THR 83 -10.434 3.946 10.515 621 1HG2 THR 83 1HG2 THR 83 -8.939 2.740 9.545 622 2HG2 THR 83 2HG2 THR 83 -7.994 4.184 9.911 623 3HG2 THR 83 3HG2 THR 83 -7.983 3.513 8.280 624 H CYS 84 H CYS 84 -10.031 5.980 5.998 625 HA CYS 84 HA CYS 84 -11.844 8.289 6.257 626 1HB CYS 84 2HB CYS 84 -10.810 6.630 3.969 627 2HB CYS 84 1HB CYS 84 -12.217 7.668 3.736 628 H ASP 85 H ASP 85 -13.908 7.683 4.561 629 HA ASP 85 HA ASP 85 -15.535 5.921 6.226 630 1HB ASP 85 2HB ASP 85 -16.332 8.046 5.040 631 2HB ASP 85 1HB ASP 85 -16.311 7.101 3.552 632 H VAL 86 H VAL 86 -16.573 3.978 5.484 633 HA VAL 86 HA VAL 86 -15.341 2.727 3.062 634 HB VAL 86 HB VAL 86 -15.989 1.133 5.538 635 1HG1 VAL 86 1HG1 VAL 86 -14.219 -0.338 4.562 636 2HG1 VAL 86 2HG1 VAL 86 -14.094 0.771 3.196 637 3HG1 VAL 86 3HG1 VAL 86 -15.593 -0.113 3.481 638 1HG2 VAL 86 1HG2 VAL 86 -13.485 2.719 4.929 639 2HG2 VAL 86 2HG2 VAL 86 -13.483 1.337 6.025 640 3HG2 VAL 86 3HG2 VAL 86 -14.461 2.757 6.398 641 H THR 87 H THR 87 -16.693 0.751 2.376 642 HA THR 87 HA THR 87 -19.555 1.000 3.129 643 HB THR 87 HB THR 87 -18.478 1.220 0.306 644 HG1 THR 87 1HG THR 87 -19.875 2.910 2.079 645 1HG2 THR 87 1HG2 THR 87 -20.978 1.412 -0.231 646 2HG2 THR 87 2HG2 THR 87 -21.263 0.715 1.364 647 3HG2 THR 87 3HG2 THR 87 -20.377 -0.202 0.144 648 H GLY 88 H GLY 88 -17.220 -0.736 1.067 649 1HA GLY 88 2HA GLY 88 -17.891 -3.284 2.235 650 2HA GLY 88 1HA GLY 88 -18.674 -3.103 0.665 651 H TRP 89 H TRP 89 -17.407 -4.641 -0.425 652 HA TRP 89 HA TRP 89 -14.686 -3.724 -1.124 653 1HB TRP 89 2HB TRP 89 -15.039 -6.604 -0.313 654 2HB TRP 89 1HB TRP 89 -13.552 -5.663 -0.438 655 HD1 TRP 89 HD TRP 89 -13.158 -3.760 1.471 656 HE1 TRP 89 1HE TRP 89 -13.910 -3.707 3.936 657 HE3 TRP 89 3HE TRP 89 -16.830 -7.308 1.348 658 HZ2 TRP 89 2HZ TRP 89 -15.818 -5.000 5.632 659 HZ3 TRP 89 3HZ TRP 89 -18.097 -7.877 3.401 660 HH2 TRP 89 HH TRP 89 -17.596 -6.728 5.540 661 H VAL 90 H VAL 90 -13.903 -4.780 -3.089 662 HA VAL 90 HA VAL 90 -15.938 -6.377 -4.568 663 HB VAL 90 HB VAL 90 -14.541 -3.922 -5.669 664 1HG1 VAL 90 1HG1 VAL 90 -16.433 -5.958 -6.865 665 2HG1 VAL 90 2HG1 VAL 90 -14.829 -5.503 -7.440 666 3HG1 VAL 90 3HG1 VAL 90 -16.172 -4.369 -7.585 667 1HG2 VAL 90 1HG2 VAL 90 -17.455 -4.428 -4.987 668 2HG2 VAL 90 2HG2 VAL 90 -16.824 -2.971 -5.754 669 3HG2 VAL 90 3HG2 VAL 90 -16.363 -3.366 -4.098 670 H LEU 91 H LEU 91 -14.939 -8.155 -5.361 671 HA LEU 91 HA LEU 91 -12.184 -8.688 -5.171 672 1HB LEU 91 2HB LEU 91 -13.930 -10.409 -5.591 673 2HB LEU 91 1HB LEU 91 -14.113 -9.801 -7.235 674 HG LEU 91 HG LEU 91 -11.318 -10.416 -6.465 675 1HD1 LEU 91 1HD1 LEU 91 -11.618 -12.857 -6.713 676 2HD1 LEU 91 2HD1 LEU 91 -13.367 -12.632 -6.770 677 3HD1 LEU 91 3HD1 LEU 91 -12.476 -12.247 -5.297 678 1HD2 LEU 91 1HD2 LEU 91 -11.352 -11.458 -8.718 679 2HD2 LEU 91 2HD2 LEU 91 -11.980 -9.812 -8.761 680 3HD2 LEU 91 3HD2 LEU 91 -13.090 -11.181 -8.812 Start of MODEL 14 1 1H GLN 1 1HT GLN 1 -2.289 -4.717 -13.784 2 2H GLN 1 2HT GLN 1 -3.613 -5.754 -13.539 3 3H GLN 1 3HT GLN 1 -2.208 -5.928 -12.599 4 HA GLN 1 HA GLN 1 -3.873 -3.476 -12.572 5 1HB GLN 1 2HB GLN 1 -5.083 -5.598 -11.820 6 2HB GLN 1 1HB GLN 1 -3.898 -5.699 -10.518 7 1HG GLN 1 2HG GLN 1 -5.702 -4.513 -9.554 8 2HG GLN 1 1HG GLN 1 -4.551 -3.252 -9.994 9 1HE2 GLN 1 1HE2 GLN 1 -5.353 -1.597 -11.310 10 2HE2 GLN 1 2HE2 GLN 1 -6.801 -1.680 -12.192 11 H CYS 2 H CYS 2 -1.849 -2.302 -12.467 12 HA CYS 2 HA CYS 2 -0.746 -2.210 -9.751 13 1HB CYS 2 2HB CYS 2 0.571 -4.002 -11.013 14 2HB CYS 2 1HB CYS 2 1.169 -2.701 -12.042 15 H TYR 3 H TYR 3 0.926 -0.375 -9.630 16 HA TYR 3 HA TYR 3 0.703 1.611 -11.809 17 1HB TYR 3 2HB TYR 3 0.062 3.356 -9.994 18 2HB TYR 3 1HB TYR 3 -1.211 2.306 -10.616 19 HD1 TYR 3 1HD TYR 3 -1.863 0.241 -9.309 20 HD2 TYR 3 2HD TYR 3 0.717 3.276 -7.704 21 HE1 TYR 3 1HE TYR 3 -2.279 -0.616 -7.019 22 HE2 TYR 3 2HE TYR 3 0.302 2.419 -5.414 23 HH TYR 3 HH TYR 3 -1.441 1.122 -4.229 24 H PHE 4 H PHE 4 2.205 3.450 -11.441 25 HA PHE 4 HA PHE 4 4.488 2.651 -9.671 26 1HB PHE 4 2HB PHE 4 4.336 3.529 -12.466 27 2HB PHE 4 1HB PHE 4 5.479 4.485 -11.526 28 HD1 PHE 4 1HD PHE 4 4.777 1.237 -13.014 29 HD2 PHE 4 2HD PHE 4 7.336 3.347 -10.283 30 HE1 PHE 4 1HE PHE 4 6.420 -0.618 -13.120 31 HE2 PHE 4 2HE PHE 4 8.979 1.492 -10.389 32 HZ PHE 4 HZ PHE 4 8.521 -0.490 -11.808 33 H ILE 5 H ILE 5 5.195 4.138 -8.184 34 HA ILE 5 HA ILE 5 3.938 6.854 -8.255 35 HB ILE 5 HB ILE 5 4.654 5.195 -5.829 36 1HG1 ILE 5 2HG1 ILE 5 1.921 6.048 -6.817 37 2HG1 ILE 5 1HG1 ILE 5 2.629 4.476 -7.190 38 1HG2 ILE 5 1HG2 ILE 5 3.382 7.929 -6.142 39 2HG2 ILE 5 2HG2 ILE 5 4.929 7.566 -5.377 40 3HG2 ILE 5 3HG2 ILE 5 3.428 7.027 -4.627 41 1HD1 ILE 5 1HD1 ILE 5 1.082 4.606 -5.131 42 2HD1 ILE 5 2HD1 ILE 5 2.407 5.465 -4.347 43 3HD1 ILE 5 3HD1 ILE 5 2.642 3.813 -4.916 44 HA PRO 6 HA PRO 6 8.354 7.849 -8.547 45 1HB PRO 6 2HB PRO 6 7.714 10.633 -8.186 46 2HB PRO 6 1HB PRO 6 8.182 9.802 -9.671 47 1HG PRO 6 2HG PRO 6 5.595 10.812 -8.962 48 2HG PRO 6 1HG PRO 6 6.064 9.972 -10.442 49 1HD PRO 6 2HD PRO 6 4.435 8.974 -8.281 50 2HD PRO 6 1HD PRO 6 4.910 8.126 -9.776 51 H ASN 7 H ASN 7 9.969 8.514 -7.036 52 HA ASN 7 HA ASN 7 9.421 8.168 -4.291 53 1HB ASN 7 2HB ASN 7 11.688 7.978 -5.166 54 2HB ASN 7 1HB ASN 7 11.688 9.683 -5.619 55 1HD2 ASN 7 1HD2 ASN 7 11.027 7.719 -2.650 56 2HD2 ASN 7 2HD2 ASN 7 11.841 8.775 -1.600 57 H GLN 8 H GLN 8 9.186 9.674 -2.566 58 HA GLN 8 HA GLN 8 8.677 12.512 -3.340 59 1HB GLN 8 2HB GLN 8 6.857 10.798 -1.615 60 2HB GLN 8 1HB GLN 8 6.658 12.525 -1.907 61 1HG GLN 8 2HG GLN 8 5.352 11.894 -3.659 62 2HG GLN 8 1HG GLN 8 6.869 11.531 -4.477 63 1HE2 GLN 8 1HE2 GLN 8 7.665 9.183 -3.102 64 2HE2 GLN 8 2HE2 GLN 8 6.526 7.958 -3.390 65 H SER 9 H SER 9 10.387 10.426 -1.467 66 HA SER 9 HA SER 9 10.268 11.528 1.153 67 1HB SER 9 2HB SER 9 12.314 10.402 1.562 68 2HB SER 9 1HB SER 9 11.513 9.423 0.336 69 HG SER 9 HG SER 9 12.930 11.391 -0.820 70 H LEU 10 H LEU 10 12.647 12.550 1.907 71 HA LEU 10 HA LEU 10 12.997 14.979 0.194 72 1HB LEU 10 2HB LEU 10 13.752 15.851 2.664 73 2HB LEU 10 1HB LEU 10 12.123 16.040 2.023 74 HG LEU 10 HG LEU 10 12.841 13.488 3.432 75 1HD1 LEU 10 1HD1 LEU 10 12.066 16.088 4.790 76 2HD1 LEU 10 2HD1 LEU 10 13.613 15.257 4.952 77 3HD1 LEU 10 3HD1 LEU 10 12.144 14.512 5.579 78 1HD2 LEU 10 1HD2 LEU 10 10.607 14.130 2.180 79 2HD2 LEU 10 2HD2 LEU 10 10.270 15.039 3.652 80 3HD2 LEU 10 3HD2 LEU 10 10.527 13.296 3.732 81 H LYS 11 H LYS 11 14.534 12.613 2.316 82 HA LYS 11 HA LYS 11 17.204 13.656 1.490 83 1HB LYS 11 2HB LYS 11 16.204 12.068 3.829 84 2HB LYS 11 1HB LYS 11 17.867 11.809 3.304 85 1HG LYS 11 2HG LYS 11 18.007 13.535 4.926 86 2HG LYS 11 1HG LYS 11 18.114 14.372 3.378 87 1HD LYS 11 2HD LYS 11 15.692 14.864 3.483 88 2HD LYS 11 1HD LYS 11 15.601 14.046 5.043 89 1HE LYS 11 2HE LYS 11 17.197 15.656 5.997 90 2HE LYS 11 1HE LYS 11 17.321 16.469 4.436 91 1HZ LYS 11 1HZ LYS 11 14.949 16.277 6.200 92 2HZ LYS 11 2HZ LYS 11 14.850 16.782 4.581 93 3HZ LYS 11 3HZ LYS 11 15.764 17.677 5.699 94 HA PRO 12 HA PRO 12 17.725 10.305 -1.367 95 1HB PRO 12 2HB PRO 12 20.451 9.790 -0.592 96 2HB PRO 12 1HB PRO 12 19.865 10.682 -1.999 97 1HG PRO 12 2HG PRO 12 21.085 11.724 0.403 98 2HG PRO 12 1HG PRO 12 20.610 12.598 -1.056 99 1HD PRO 12 2HD PRO 12 19.354 12.727 1.504 100 2HD PRO 12 1HD PRO 12 18.770 13.449 -0.016 101 H ASN 13 H ASN 13 18.342 7.939 -1.410 102 HA ASN 13 HA ASN 13 18.213 5.788 -0.494 103 1HB ASN 13 2HB ASN 13 19.206 6.968 2.100 104 2HB ASN 13 1HB ASN 13 19.510 5.363 1.434 105 1HD2 ASN 13 1HD2 ASN 13 21.565 7.355 2.221 106 2HD2 ASN 13 2HD2 ASN 13 22.455 7.697 0.816 107 H GLU 14 H GLU 14 15.811 7.151 -0.481 108 HA GLU 14 HA GLU 14 14.583 6.129 2.035 109 1HB GLU 14 2HB GLU 14 14.306 8.879 0.836 110 2HB GLU 14 1HB GLU 14 13.004 8.187 1.806 111 1HG GLU 14 2HG GLU 14 14.585 7.810 3.660 112 2HG GLU 14 1HG GLU 14 15.879 8.523 2.696 113 H CYS 15 H CYS 15 12.150 5.954 1.761 114 HA CYS 15 HA CYS 15 11.282 5.613 -1.056 115 1HB CYS 15 2HB CYS 15 12.268 3.435 0.261 116 2HB CYS 15 1HB CYS 15 10.570 3.340 0.718 117 H GLN 16 H GLN 16 9.782 7.300 -0.684 118 HA GLN 16 HA GLN 16 7.800 6.895 1.504 119 1HB GLN 16 2HB GLN 16 8.786 9.123 1.391 120 2HB GLN 16 1HB GLN 16 8.335 9.267 -0.308 121 1HG GLN 16 2HG GLN 16 6.001 9.294 0.217 122 2HG GLN 16 1HG GLN 16 6.302 8.797 1.882 123 1HE2 GLN 16 1HE2 GLN 16 8.560 11.097 0.583 124 2HE2 GLN 16 2HE2 GLN 16 7.943 12.464 1.378 125 H ASP 17 H ASP 17 5.598 6.648 1.053 126 HA ASP 17 HA ASP 17 4.695 6.724 -1.760 127 1HB ASP 17 2HB ASP 17 5.540 4.305 -0.681 128 2HB ASP 17 1HB ASP 17 3.798 4.262 -0.421 129 H LEU 18 H LEU 18 2.401 6.977 -1.902 130 HA LEU 18 HA LEU 18 0.379 7.886 -1.104 131 1HB LEU 18 2HB LEU 18 0.889 5.859 1.097 132 2HB LEU 18 1HB LEU 18 -0.670 6.572 0.686 133 HG LEU 18 HG LEU 18 0.933 5.106 -1.406 134 1HD1 LEU 18 1HD1 LEU 18 -0.944 3.910 0.650 135 2HD1 LEU 18 2HD1 LEU 18 0.759 3.518 0.419 136 3HD1 LEU 18 3HD1 LEU 18 -0.421 3.077 -0.814 137 1HD2 LEU 18 1HD2 LEU 18 -0.985 6.404 -2.177 138 2HD2 LEU 18 2HD2 LEU 18 -2.019 5.658 -0.959 139 3HD2 LEU 18 3HD2 LEU 18 -1.378 4.690 -2.286 140 H LYS 19 H LYS 19 -0.171 7.810 1.910 141 HA LYS 19 HA LYS 19 1.519 10.185 2.604 142 1HB LYS 19 2HB LYS 19 -1.154 10.235 2.273 143 2HB LYS 19 1HB LYS 19 -1.101 9.739 3.963 144 1HG LYS 19 2HG LYS 19 -1.069 12.053 4.199 145 2HG LYS 19 1HG LYS 19 0.660 11.708 4.164 146 1HD LYS 19 2HD LYS 19 0.548 12.071 1.640 147 2HD LYS 19 1HD LYS 19 -1.074 12.712 1.896 148 1HE LYS 19 2HE LYS 19 -0.010 14.276 3.631 149 2HE LYS 19 1HE LYS 19 1.543 13.795 2.948 150 1HZ LYS 19 1HZ LYS 19 1.039 14.741 0.917 151 2HZ LYS 19 2HZ LYS 19 0.360 15.853 2.006 152 3HZ LYS 19 3HZ LYS 19 -0.633 14.736 1.197 153 H GLY 20 H GLY 20 0.907 6.968 3.397 154 1HA GLY 20 2HA GLY 20 1.716 7.401 6.248 155 2HA GLY 20 1HA GLY 20 0.851 5.983 5.664 156 H VAL 21 H VAL 21 2.634 5.806 3.244 157 HA VAL 21 HA VAL 21 4.660 4.130 4.483 158 HB VAL 21 HB VAL 21 4.618 5.014 1.598 159 1HG1 VAL 21 1HG1 VAL 21 6.567 3.709 2.479 160 2HG1 VAL 21 2HG1 VAL 21 5.670 2.857 1.221 161 3HG1 VAL 21 3HG1 VAL 21 5.449 2.415 2.915 162 1HG2 VAL 21 1HG2 VAL 21 2.892 3.007 3.053 163 2HG2 VAL 21 2HG2 VAL 21 3.226 2.853 1.328 164 3HG2 VAL 21 3HG2 VAL 21 2.386 4.279 1.940 165 H SER 22 H SER 22 6.626 4.778 5.181 166 HA SER 22 HA SER 22 8.210 6.759 3.780 167 1HB SER 22 2HB SER 22 7.159 7.532 6.517 168 2HB SER 22 1HB SER 22 8.267 8.468 5.519 169 HG SER 22 HG SER 22 5.530 8.138 5.340 170 H HIS 23 H HIS 23 9.655 4.902 3.915 171 HA HIS 23 HA HIS 23 11.183 4.887 6.442 172 1HB HIS 23 2HB HIS 23 9.491 2.649 5.482 173 2HB HIS 23 1HB HIS 23 11.125 2.189 5.957 174 HD1 HIS 23 1HD HIS 23 11.684 3.917 8.342 175 HD2 HIS 23 2HD HIS 23 7.948 2.176 7.720 176 HE1 HIS 23 1HE HIS 23 10.553 3.818 10.607 177 HA PRO 24 HA PRO 24 14.663 4.591 3.736 178 1HB PRO 24 2HB PRO 24 15.981 2.462 5.156 179 2HB PRO 24 1HB PRO 24 16.319 4.194 5.223 180 1HG PRO 24 2HG PRO 24 15.032 2.540 7.212 181 2HG PRO 24 1HG PRO 24 15.478 4.245 7.323 182 1HD PRO 24 2HD PRO 24 12.842 3.174 7.118 183 2HD PRO 24 1HD PRO 24 13.311 4.889 7.035 184 H LEU 25 H LEU 25 15.176 3.441 1.858 185 HA LEU 25 HA LEU 25 13.604 1.112 1.208 186 1HB LEU 25 2HB LEU 25 14.708 1.175 -0.938 187 2HB LEU 25 1HB LEU 25 14.375 2.837 -0.457 188 HG LEU 25 HG LEU 25 16.857 2.413 0.668 189 1HD1 LEU 25 1HD1 LEU 25 16.789 1.023 -2.029 190 2HD1 LEU 25 2HD1 LEU 25 17.079 0.237 -0.478 191 3HD1 LEU 25 3HD1 LEU 25 18.245 1.399 -1.108 192 1HD2 LEU 25 1HD2 LEU 25 16.045 3.546 -2.018 193 2HD2 LEU 25 2HD2 LEU 25 17.682 3.697 -1.382 194 3HD2 LEU 25 3HD2 LEU 25 16.328 4.424 -0.515 195 H ASN 26 H ASN 26 14.768 -0.911 0.302 196 HA ASN 26 HA ASN 26 17.375 -1.579 1.319 197 1HB ASN 26 2HB ASN 26 14.946 -2.346 2.906 198 2HB ASN 26 1HB ASN 26 16.287 -3.488 2.814 199 1HD2 ASN 26 1HD2 ASN 26 15.185 -1.414 4.968 200 2HD2 ASN 26 2HD2 ASN 26 16.617 -0.701 5.535 201 H SER 27 H SER 27 14.199 -2.906 0.398 202 HA SER 27 HA SER 27 15.291 -4.263 -1.899 203 1HB SER 27 2HB SER 27 15.198 -6.537 -1.194 204 2HB SER 27 1HB SER 27 16.087 -5.699 0.075 205 HG SER 27 HG SER 27 14.188 -7.174 0.602 206 H VAL 28 H VAL 28 13.376 -6.308 -2.136 207 HA VAL 28 HA VAL 28 10.849 -4.703 -2.196 208 HB VAL 28 HB VAL 28 11.348 -5.251 -4.419 209 1HG1 VAL 28 1HG1 VAL 28 13.258 -6.660 -4.123 210 2HG1 VAL 28 2HG1 VAL 28 12.089 -7.609 -5.042 211 3HG1 VAL 28 3HG1 VAL 28 12.299 -7.900 -3.316 212 1HG2 VAL 28 1HG2 VAL 28 9.757 -7.679 -3.556 213 2HG2 VAL 28 2HG2 VAL 28 9.699 -6.856 -5.112 214 3HG2 VAL 28 3HG2 VAL 28 9.064 -6.061 -3.673 215 H TRP 29 H TRP 29 8.846 -6.069 -1.964 216 HA TRP 29 HA TRP 29 9.198 -8.569 -0.431 217 1HB TRP 29 2HB TRP 29 7.751 -7.719 1.430 218 2HB TRP 29 1HB TRP 29 9.317 -6.915 1.344 219 HD1 TRP 29 HD TRP 29 5.608 -6.316 0.915 220 HE1 TRP 29 1HE TRP 29 5.186 -3.794 0.595 221 HE3 TRP 29 3HE TRP 29 10.416 -4.676 0.384 222 HZ2 TRP 29 2HZ TRP 29 6.688 -1.394 0.168 223 HZ3 TRP 29 3HZ TRP 29 10.890 -2.271 0.024 224 HH2 TRP 29 HH TRP 29 9.036 -0.630 -0.085 225 H LYS 30 H LYS 30 7.532 -9.956 -0.840 226 HA LYS 30 HA LYS 30 4.952 -8.870 -1.840 227 1HB LYS 30 2HB LYS 30 6.260 -9.311 -3.861 228 2HB LYS 30 1HB LYS 30 6.640 -10.935 -3.288 229 1HG LYS 30 2HG LYS 30 4.287 -11.569 -3.381 230 2HG LYS 30 1HG LYS 30 3.830 -9.922 -3.813 231 1HD LYS 30 2HD LYS 30 3.880 -10.939 -5.911 232 2HD LYS 30 1HD LYS 30 5.515 -10.287 -5.811 233 1HE LYS 30 2HE LYS 30 6.323 -12.480 -4.976 234 2HE LYS 30 1HE LYS 30 4.688 -13.125 -5.128 235 1HZ LYS 30 1HZ LYS 30 6.184 -13.591 -7.047 236 2HZ LYS 30 2HZ LYS 30 6.189 -11.927 -7.387 237 3HZ LYS 30 3HZ LYS 30 4.737 -12.807 -7.459 238 H THR 31 H THR 31 3.668 -9.692 -0.225 239 HA THR 31 HA THR 31 4.075 -11.970 1.336 240 HB THR 31 HB THR 31 1.896 -11.697 2.063 241 HG1 THR 31 1HG THR 31 1.046 -10.840 -0.485 242 1HG2 THR 31 1HG2 THR 31 3.125 -9.423 1.728 243 2HG2 THR 31 2HG2 THR 31 1.397 -9.403 2.081 244 3HG2 THR 31 3HG2 THR 31 1.962 -9.172 0.427 245 H LYS 32 H LYS 32 2.729 -14.061 1.197 246 HA LYS 32 HA LYS 32 3.473 -15.602 -1.012 247 1HB LYS 32 2HB LYS 32 1.365 -17.015 -0.338 248 2HB LYS 32 1HB LYS 32 2.692 -16.849 0.812 249 1HG LYS 32 2HG LYS 32 1.542 -15.155 2.045 250 2HG LYS 32 1HG LYS 32 0.329 -14.963 0.780 251 1HD LYS 32 2HD LYS 32 -0.679 -17.051 1.267 252 2HD LYS 32 1HD LYS 32 0.716 -17.602 2.194 253 1HE LYS 32 2HE LYS 32 -0.920 -15.205 3.036 254 2HE LYS 32 1HE LYS 32 -1.321 -16.842 3.554 255 1HZ LYS 32 1HZ LYS 32 0.590 -15.128 4.632 256 2HZ LYS 32 2HZ LYS 32 1.434 -16.410 3.905 257 3HZ LYS 32 3HZ LYS 32 0.254 -16.729 5.085 258 H ASP 33 H ASP 33 0.538 -13.680 -0.561 259 HA ASP 33 HA ASP 33 0.193 -13.286 -3.386 260 1HB ASP 33 2HB ASP 33 -0.550 -15.738 -3.005 261 2HB ASP 33 1HB ASP 33 -1.947 -15.045 -2.182 262 H CYS 34 H CYS 34 0.152 -11.173 -2.169 263 HA CYS 34 HA CYS 34 -2.654 -10.429 -1.622 264 1HB CYS 34 2HB CYS 34 -0.489 -9.702 0.361 265 2HB CYS 34 1HB CYS 34 -2.230 -9.477 0.529 266 H GLU 35 H GLU 35 0.666 -9.124 -1.393 267 HA GLU 35 HA GLU 35 -0.086 -7.035 -3.362 268 1HB GLU 35 2HB GLU 35 -0.596 -5.944 -1.266 269 2HB GLU 35 1HB GLU 35 0.929 -6.476 -0.561 270 1HG GLU 35 2HG GLU 35 2.202 -5.037 -1.965 271 2HG GLU 35 1HG GLU 35 0.830 -4.740 -3.033 272 H GLU 36 H GLU 36 1.861 -5.830 -4.113 273 HA GLU 36 HA GLU 36 4.453 -7.179 -3.573 274 1HB GLU 36 2HB GLU 36 3.598 -8.355 -5.530 275 2HB GLU 36 1HB GLU 36 3.215 -6.826 -6.321 276 1HG GLU 36 2HG GLU 36 5.536 -6.244 -6.511 277 2HG GLU 36 1HG GLU 36 6.019 -7.570 -5.454 278 H CYS 37 H CYS 37 5.342 -5.318 -2.673 279 HA CYS 37 HA CYS 37 5.335 -2.865 -4.380 280 1HB CYS 37 2HB CYS 37 5.278 -3.263 -1.409 281 2HB CYS 37 1HB CYS 37 5.987 -1.791 -2.073 282 H THR 38 H THR 38 7.255 -2.200 -5.148 283 HA THR 38 HA THR 38 9.747 -3.317 -3.910 284 HB THR 38 HB THR 38 10.665 -3.676 -6.018 285 HG1 THR 38 1HG THR 38 10.343 -2.357 -7.654 286 1HG2 THR 38 1HG2 THR 38 9.112 -4.932 -7.265 287 2HG2 THR 38 2HG2 THR 38 7.776 -3.858 -6.851 288 3HG2 THR 38 3HG2 THR 38 8.437 -4.951 -5.635 289 H CYS 39 H CYS 39 11.553 -1.848 -3.838 290 HA CYS 39 HA CYS 39 10.741 1.028 -4.056 291 1HB CYS 39 2HB CYS 39 12.493 -0.494 -2.171 292 2HB CYS 39 1HB CYS 39 12.949 1.168 -2.542 293 H GLY 40 H GLY 40 11.426 1.717 -6.043 294 1HA GLY 40 2HA GLY 40 13.996 0.763 -7.141 295 2HA GLY 40 1HA GLY 40 12.840 1.809 -7.969 296 H GLN 41 H GLN 41 15.865 1.971 -7.113 297 HA GLN 41 HA GLN 41 16.211 4.116 -5.318 298 1HB GLN 41 2HB GLN 41 17.799 3.285 -7.756 299 2HB GLN 41 1HB GLN 41 18.324 4.574 -6.670 300 1HG GLN 41 2HG GLN 41 18.184 2.961 -4.762 301 2HG GLN 41 1HG GLN 41 17.810 1.682 -5.919 302 1HE2 GLN 41 1HE2 GLN 41 19.548 2.027 -7.983 303 2HE2 GLN 41 2HE2 GLN 41 21.161 2.009 -7.453 304 H ASP 42 H ASP 42 14.484 4.157 -8.174 305 HA ASP 42 HA ASP 42 14.755 7.134 -8.358 306 1HB ASP 42 2HB ASP 42 13.988 6.429 -10.896 307 2HB ASP 42 1HB ASP 42 15.659 6.727 -10.416 308 H ALA 43 H ALA 43 12.708 4.357 -8.158 309 HA ALA 43 HA ALA 43 10.374 6.089 -7.816 310 1HB ALA 43 1HB ALA 43 10.418 4.092 -10.100 311 2HB ALA 43 2HB ALA 43 10.462 5.845 -10.283 312 3HB ALA 43 3HB ALA 43 9.035 5.066 -9.602 313 H ILE 44 H ILE 44 8.341 4.495 -7.607 314 HA ILE 44 HA ILE 44 9.212 1.997 -6.211 315 HB ILE 44 HB ILE 44 7.056 3.871 -5.196 316 1HG1 ILE 44 2HG1 ILE 44 9.919 3.518 -4.247 317 2HG1 ILE 44 1HG1 ILE 44 9.264 4.954 -5.034 318 1HG2 ILE 44 1HG2 ILE 44 7.031 1.355 -4.657 319 2HG2 ILE 44 2HG2 ILE 44 6.995 2.460 -3.283 320 3HG2 ILE 44 3HG2 ILE 44 8.501 1.657 -3.730 321 1HD1 ILE 44 1HD1 ILE 44 9.277 5.315 -2.624 322 2HD1 ILE 44 2HD1 ILE 44 8.397 3.810 -2.362 323 3HD1 ILE 44 3HD1 ILE 44 7.607 5.163 -3.170 324 H SER 45 H SER 45 8.032 0.253 -6.862 325 HA SER 45 HA SER 45 5.547 0.772 -8.450 326 1HB SER 45 2HB SER 45 6.132 -0.963 -9.841 327 2HB SER 45 1HB SER 45 7.751 -0.555 -9.281 328 HG SER 45 HG SER 45 6.023 -2.621 -8.432 329 H CYS 46 H CYS 46 3.643 -0.072 -7.691 330 HA CYS 46 HA CYS 46 3.760 -2.170 -5.572 331 1HB CYS 46 2HB CYS 46 2.516 0.559 -5.390 332 2HB CYS 46 1HB CYS 46 1.769 -0.789 -4.531 333 H CYS 47 H CYS 47 2.329 -3.771 -5.969 334 HA CYS 47 HA CYS 47 0.007 -3.190 -7.774 335 1HB CYS 47 2HB CYS 47 1.380 -5.871 -7.728 336 2HB CYS 47 1HB CYS 47 0.371 -5.164 -8.990 337 H ASN 48 H ASN 48 -1.942 -4.128 -7.142 338 HA ASN 48 HA ASN 48 -1.879 -5.786 -4.645 339 1HB ASN 48 2HB ASN 48 -4.040 -4.676 -4.037 340 2HB ASN 48 1HB ASN 48 -2.677 -3.555 -4.081 341 1HD2 ASN 48 1HD2 ASN 48 -2.382 -2.886 -6.711 342 2HD2 ASN 48 2HD2 ASN 48 -3.811 -2.226 -7.346 343 H THR 49 H THR 49 -3.342 -7.508 -4.578 344 HA THR 49 HA THR 49 -5.056 -7.922 -6.996 345 HB THR 49 HB THR 49 -4.365 -10.225 -7.148 346 HG1 THR 49 1HG THR 49 -3.865 -9.957 -4.629 347 1HG2 THR 49 1HG2 THR 49 -2.855 -8.496 -8.153 348 2HG2 THR 49 2HG2 THR 49 -2.016 -9.983 -7.711 349 3HG2 THR 49 3HG2 THR 49 -1.879 -8.556 -6.685 350 H ALA 50 H ALA 50 -5.031 -7.494 -3.757 351 HA ALA 50 HA ALA 50 -6.948 -9.613 -3.041 352 1HB ALA 50 1HB ALA 50 -5.174 -8.620 -1.470 353 2HB ALA 50 2HB ALA 50 -6.808 -8.768 -0.820 354 3HB ALA 50 3HB ALA 50 -6.216 -7.201 -1.373 355 H ALA 51 H ALA 51 -9.037 -8.833 -1.910 356 HA ALA 51 HA ALA 51 -10.686 -7.465 -3.747 357 1HB ALA 51 1HB ALA 51 -11.566 -8.881 -1.920 358 2HB ALA 51 2HB ALA 51 -12.309 -7.282 -1.896 359 3HB ALA 51 3HB ALA 51 -11.038 -7.682 -0.739 360 H ILE 52 H ILE 52 -11.494 -5.300 -3.774 361 HA ILE 52 HA ILE 52 -9.715 -3.336 -2.395 362 HB ILE 52 HB ILE 52 -11.500 -2.748 -4.757 363 1HG1 ILE 52 2HG1 ILE 52 -10.065 -4.635 -5.399 364 2HG1 ILE 52 1HG1 ILE 52 -9.524 -3.162 -6.200 365 1HG2 ILE 52 1HG2 ILE 52 -8.959 -1.501 -3.669 366 2HG2 ILE 52 2HG2 ILE 52 -10.584 -0.823 -3.563 367 3HG2 ILE 52 3HG2 ILE 52 -9.793 -0.976 -5.132 368 1HD1 ILE 52 1HD1 ILE 52 -7.853 -2.873 -4.306 369 2HD1 ILE 52 2HD1 ILE 52 -7.556 -4.254 -5.360 370 3HD1 ILE 52 3HD1 ILE 52 -8.291 -4.496 -3.778 371 HA PRO 53 HA PRO 53 -13.329 -2.364 0.081 372 1HB PRO 53 2HB PRO 53 -12.369 0.308 0.566 373 2HB PRO 53 1HB PRO 53 -12.332 -1.083 1.654 374 1HG PRO 53 2HG PRO 53 -10.133 0.138 0.256 375 2HG PRO 53 1HG PRO 53 -10.092 -1.220 1.385 376 1HD PRO 53 2HD PRO 53 -9.691 -1.300 -1.455 377 2HD PRO 53 1HD PRO 53 -9.742 -2.677 -0.328 378 H THR 54 H THR 54 -15.309 -1.603 -0.574 379 HA THR 54 HA THR 54 -15.432 0.804 -2.321 380 HB THR 54 HB THR 54 -16.459 -0.244 -4.091 381 HG1 THR 54 1HG THR 54 -17.358 -2.529 -2.911 382 1HG2 THR 54 1HG2 THR 54 -15.205 -2.694 -2.829 383 2HG2 THR 54 2HG2 THR 54 -14.288 -1.444 -3.670 384 3HG2 THR 54 3HG2 THR 54 -15.478 -2.404 -4.546 385 H GLY 55 H GLY 55 -18.001 1.180 -2.691 386 1HA GLY 55 2HA GLY 55 -20.104 1.551 -1.692 387 2HA GLY 55 1HA GLY 55 -19.673 0.371 -0.453 388 H TYR 56 H TYR 56 -17.255 1.624 0.433 389 HA TYR 56 HA TYR 56 -18.278 3.422 2.376 390 1HB TYR 56 2HB TYR 56 -16.112 3.566 3.160 391 2HB TYR 56 1HB TYR 56 -15.970 2.109 2.180 392 HD1 TYR 56 1HD TYR 56 -15.008 2.246 -0.130 393 HD2 TYR 56 2HD TYR 56 -14.978 5.587 2.567 394 HE1 TYR 56 1HE TYR 56 -13.274 3.351 -1.517 395 HE2 TYR 56 2HE TYR 56 -13.245 6.693 1.181 396 HH TYR 56 HH TYR 56 -11.522 6.079 -0.440 397 H ASP 57 H ASP 57 -18.842 5.535 2.214 398 HA ASP 57 HA ASP 57 -18.997 6.991 -0.157 399 1HB ASP 57 2HB ASP 57 -20.041 7.632 2.038 400 2HB ASP 57 1HB ASP 57 -18.460 8.206 2.568 401 H THR 58 H THR 58 -17.333 7.424 -1.528 402 HA THR 58 HA THR 58 -14.597 7.761 -0.520 403 HB THR 58 HB THR 58 -13.932 7.741 -2.797 404 HG1 THR 58 1HG THR 58 -16.378 8.935 -3.115 405 1HG2 THR 58 1HG2 THR 58 -15.095 5.638 -1.909 406 2HG2 THR 58 2HG2 THR 58 -14.961 5.776 -3.661 407 3HG2 THR 58 3HG2 THR 58 -16.491 6.137 -2.862 408 H ASN 59 H ASN 59 -14.705 9.708 0.707 409 HA ASN 59 HA ASN 59 -15.680 12.161 -0.605 410 1HB ASN 59 2HB ASN 59 -15.917 11.561 1.904 411 2HB ASN 59 1HB ASN 59 -14.222 12.033 2.035 412 1HD2 ASN 59 1HD2 ASN 59 -17.340 13.262 2.276 413 2HD2 ASN 59 2HD2 ASN 59 -16.999 14.902 2.000 414 H LYS 60 H LYS 60 -12.572 11.020 0.771 415 HA LYS 60 HA LYS 60 -11.053 12.148 -1.410 416 1HB LYS 60 2HB LYS 60 -9.865 13.885 -0.041 417 2HB LYS 60 1HB LYS 60 -11.559 14.270 -0.346 418 1HG LYS 60 2HG LYS 60 -12.184 13.436 1.867 419 2HG LYS 60 1HG LYS 60 -10.520 12.942 2.174 420 1HD LYS 60 2HD LYS 60 -10.618 15.018 3.253 421 2HD LYS 60 1HD LYS 60 -9.948 15.449 1.681 422 1HE LYS 60 2HE LYS 60 -12.141 16.139 0.881 423 2HE LYS 60 1HE LYS 60 -12.900 15.576 2.369 424 1HZ LYS 60 1HZ LYS 60 -10.775 17.332 2.974 425 2HZ LYS 60 2HZ LYS 60 -12.427 17.489 3.341 426 3HZ LYS 60 3HZ LYS 60 -11.822 18.077 1.866 427 H CYS 61 H CYS 61 -11.361 9.743 0.397 428 HA CYS 61 HA CYS 61 -8.636 9.594 1.595 429 1HB CYS 61 2HB CYS 61 -10.834 7.519 1.743 430 2HB CYS 61 1HB CYS 61 -9.429 7.683 2.795 431 H GLN 62 H GLN 62 -7.652 7.276 1.299 432 HA GLN 62 HA GLN 62 -8.034 6.374 -1.527 433 1HB GLN 62 2HB GLN 62 -5.436 5.914 -1.325 434 2HB GLN 62 1HB GLN 62 -6.020 7.517 -1.771 435 1HG GLN 62 2HG GLN 62 -5.810 8.296 0.514 436 2HG GLN 62 1HG GLN 62 -5.401 6.673 1.070 437 1HE2 GLN 62 1HE2 GLN 62 -3.390 8.061 1.834 438 2HE2 GLN 62 2HE2 GLN 62 -2.098 8.151 0.738 439 H LYS 63 H LYS 63 -6.929 4.146 -1.814 440 HA LYS 63 HA LYS 63 -7.541 2.500 0.611 441 1HB LYS 63 2HB LYS 63 -7.379 1.505 -2.240 442 2HB LYS 63 1HB LYS 63 -8.127 0.714 -0.854 443 1HG LYS 63 2HG LYS 63 -10.039 1.598 -1.781 444 2HG LYS 63 1HG LYS 63 -9.553 3.001 -0.833 445 1HD LYS 63 2HD LYS 63 -9.883 3.968 -2.928 446 2HD LYS 63 1HD LYS 63 -8.159 3.611 -2.992 447 1HE LYS 63 2HE LYS 63 -8.832 1.356 -4.029 448 2HE LYS 63 1HE LYS 63 -10.430 2.068 -4.251 449 1HZ LYS 63 1HZ LYS 63 -8.411 2.297 -6.000 450 2HZ LYS 63 2HZ LYS 63 -8.233 3.734 -5.112 451 3HZ LYS 63 3HZ LYS 63 -9.705 3.388 -5.888 452 H ILE 64 H ILE 64 -5.951 1.188 1.437 453 HA ILE 64 HA ILE 64 -3.405 0.931 -0.114 454 HB ILE 64 HB ILE 64 -3.338 2.648 1.784 455 1HG1 ILE 64 2HG1 ILE 64 -1.498 0.240 1.968 456 2HG1 ILE 64 1HG1 ILE 64 -1.319 1.570 0.824 457 1HG2 ILE 64 1HG2 ILE 64 -3.259 0.203 3.552 458 2HG2 ILE 64 2HG2 ILE 64 -4.750 1.104 3.281 459 3HG2 ILE 64 3HG2 ILE 64 -3.366 1.896 4.032 460 1HD1 ILE 64 1HD1 ILE 64 0.147 2.074 2.643 461 2HD1 ILE 64 2HD1 ILE 64 -1.090 1.679 3.838 462 3HD1 ILE 64 3HD1 ILE 64 -1.252 3.127 2.844 463 H LEU 65 H LEU 65 -2.229 -1.032 0.334 464 HA LEU 65 HA LEU 65 -3.903 -3.152 1.622 465 1HB LEU 65 2HB LEU 65 -3.326 -3.179 -0.946 466 2HB LEU 65 1HB LEU 65 -1.753 -3.749 -0.393 467 HG LEU 65 HG LEU 65 -4.387 -5.017 0.405 468 1HD1 LEU 65 1HD1 LEU 65 -4.381 -5.786 -1.733 469 2HD1 LEU 65 2HD1 LEU 65 -3.094 -6.851 -1.173 470 3HD1 LEU 65 3HD1 LEU 65 -2.695 -5.344 -1.995 471 1HD2 LEU 65 1HD2 LEU 65 -2.687 -6.930 0.912 472 2HD2 LEU 65 2HD2 LEU 65 -2.794 -5.585 2.045 473 3HD2 LEU 65 3HD2 LEU 65 -1.474 -5.651 0.877 474 H ASN 66 H ASN 66 -3.054 -3.458 3.635 475 HA ASN 66 HA ASN 66 -0.189 -3.138 4.149 476 1HB ASN 66 2HB ASN 66 -2.547 -3.995 5.837 477 2HB ASN 66 1HB ASN 66 -0.895 -4.045 6.451 478 1HD2 ASN 66 1HD2 ASN 66 -1.196 -2.295 7.974 479 2HD2 ASN 66 2HD2 ASN 66 -1.440 -0.694 7.469 480 H LYS 67 H LYS 67 1.310 -4.777 4.190 481 HA LYS 67 HA LYS 67 0.384 -7.469 3.390 482 1HB LYS 67 2HB LYS 67 3.013 -7.806 3.416 483 2HB LYS 67 1HB LYS 67 2.241 -6.924 2.099 484 1HG LYS 67 2HG LYS 67 4.229 -5.729 3.004 485 2HG LYS 67 1HG LYS 67 2.747 -4.792 3.180 486 1HD LYS 67 2HD LYS 67 2.596 -5.253 5.499 487 2HD LYS 67 1HD LYS 67 3.741 -6.590 5.392 488 1HE LYS 67 2HE LYS 67 4.850 -4.655 6.386 489 2HE LYS 67 1HE LYS 67 5.531 -4.964 4.788 490 1HZ LYS 67 1HZ LYS 67 4.600 -2.586 5.611 491 2HZ LYS 67 2HZ LYS 67 3.239 -3.206 4.804 492 3HZ LYS 67 3HZ LYS 67 4.721 -3.056 3.985 493 H LYS 68 H LYS 68 0.695 -5.936 6.267 494 HA LYS 68 HA LYS 68 2.249 -7.686 7.876 495 1HB LYS 68 2HB LYS 68 1.157 -5.442 8.529 496 2HB LYS 68 1HB LYS 68 -0.311 -6.377 8.809 497 1HG LYS 68 2HG LYS 68 0.621 -6.482 10.927 498 2HG LYS 68 1HG LYS 68 1.355 -7.917 10.212 499 1HD LYS 68 2HD LYS 68 3.311 -6.446 9.532 500 2HD LYS 68 1HD LYS 68 2.602 -5.177 10.531 501 1HE LYS 68 2HE LYS 68 4.152 -6.273 11.959 502 2HE LYS 68 1HE LYS 68 2.578 -6.912 12.427 503 1HZ LYS 68 1HZ LYS 68 4.615 -8.201 10.703 504 2HZ LYS 68 2HZ LYS 68 3.020 -8.769 10.833 505 3HZ LYS 68 3HZ LYS 68 4.030 -8.743 12.199 506 H THR 69 H THR 69 -1.270 -7.705 7.260 507 HA THR 69 HA THR 69 -1.242 -10.659 7.741 508 HB THR 69 HB THR 69 -3.578 -10.320 8.711 509 HG1 THR 69 1HG THR 69 -4.085 -8.268 9.365 510 1HG2 THR 69 1HG2 THR 69 -2.727 -9.786 10.924 511 2HG2 THR 69 2HG2 THR 69 -1.299 -9.020 10.228 512 3HG2 THR 69 3HG2 THR 69 -1.528 -10.763 10.075 513 H CYS 70 H CYS 70 -1.188 -8.955 5.272 514 HA CYS 70 HA CYS 70 -2.275 -8.844 3.192 515 1HB CYS 70 2HB CYS 70 -3.209 -11.503 4.293 516 2HB CYS 70 1HB CYS 70 -3.637 -10.954 2.672 517 H THR 71 H THR 71 -3.528 -6.986 4.161 518 HA THR 71 HA THR 71 -6.429 -7.568 3.956 519 HB THR 71 HB THR 71 -6.395 -7.654 6.281 520 HG1 THR 71 1HG THR 71 -6.352 -4.929 6.434 521 1HG2 THR 71 1HG2 THR 71 -4.864 -6.077 7.607 522 2HG2 THR 71 2HG2 THR 71 -4.070 -5.740 6.068 523 3HG2 THR 71 3HG2 THR 71 -4.076 -7.379 6.716 524 H TYR 72 H TYR 72 -7.684 -5.477 3.792 525 HA TYR 72 HA TYR 72 -6.011 -3.403 2.429 526 1HB TYR 72 2HB TYR 72 -8.342 -4.795 1.596 527 2HB TYR 72 1HB TYR 72 -8.837 -3.130 1.894 528 HD1 TYR 72 1HD TYR 72 -7.293 -1.263 0.905 529 HD2 TYR 72 2HD TYR 72 -7.277 -5.349 -0.418 530 HE1 TYR 72 1HE TYR 72 -6.242 -0.568 -1.232 531 HE2 TYR 72 2HE TYR 72 -6.229 -4.652 -2.556 532 HH TYR 72 HH TYR 72 -6.132 -1.491 -3.610 533 H THR 73 H THR 73 -6.291 -1.229 3.002 534 HA THR 73 HA THR 73 -8.248 -0.619 5.166 535 HB THR 73 HB THR 73 -6.670 -0.098 6.715 536 HG1 THR 73 1HG THR 73 -4.674 0.822 5.073 537 1HG2 THR 73 1HG2 THR 73 -5.791 -2.254 5.845 538 2HG2 THR 73 2HG2 THR 73 -4.511 -1.218 6.473 539 3HG2 THR 73 3HG2 THR 73 -4.755 -1.361 4.733 540 H VAL 74 H VAL 74 -8.324 1.857 5.484 541 HA VAL 74 HA VAL 74 -7.800 3.259 2.891 542 HB VAL 74 HB VAL 74 -10.241 3.812 4.577 543 1HG1 VAL 74 1HG1 VAL 74 -9.885 4.086 1.591 544 2HG1 VAL 74 2HG1 VAL 74 -9.327 5.343 2.696 545 3HG1 VAL 74 3HG1 VAL 74 -11.037 4.912 2.641 546 1HG2 VAL 74 1HG2 VAL 74 -9.901 1.742 2.387 547 2HG2 VAL 74 2HG2 VAL 74 -11.470 2.336 2.932 548 3HG2 VAL 74 3HG2 VAL 74 -10.423 1.461 4.048 549 H VAL 75 H VAL 75 -6.445 4.926 3.287 550 HA VAL 75 HA VAL 75 -6.514 6.207 5.993 551 HB VAL 75 HB VAL 75 -4.206 6.961 5.470 552 1HG1 VAL 75 1HG1 VAL 75 -3.147 4.734 5.601 553 2HG1 VAL 75 2HG1 VAL 75 -4.660 3.983 5.095 554 3HG1 VAL 75 3HG1 VAL 75 -4.567 4.819 6.645 555 1HG2 VAL 75 1HG2 VAL 75 -4.274 7.111 3.072 556 2HG2 VAL 75 2HG2 VAL 75 -4.742 5.418 2.918 557 3HG2 VAL 75 3HG2 VAL 75 -3.117 5.837 3.460 558 H GLU 76 H GLU 76 -5.874 8.617 5.873 559 HA GLU 76 HA GLU 76 -7.352 9.861 3.588 560 1HB GLU 76 2HB GLU 76 -7.871 10.122 6.251 561 2HB GLU 76 1HB GLU 76 -6.772 11.479 6.011 562 1HG GLU 76 2HG GLU 76 -9.296 10.928 4.422 563 2HG GLU 76 1HG GLU 76 -9.086 12.196 5.629 564 H LYS 77 H LYS 77 -6.301 11.358 2.332 565 HA LYS 77 HA LYS 77 -3.477 11.459 2.235 566 1HB LYS 77 2HB LYS 77 -5.427 13.577 1.276 567 2HB LYS 77 1HB LYS 77 -3.763 13.378 0.728 568 1HG LYS 77 2HG LYS 77 -5.705 11.083 0.525 569 2HG LYS 77 1HG LYS 77 -5.696 12.347 -0.703 570 1HD LYS 77 2HD LYS 77 -3.222 11.957 -0.985 571 2HD LYS 77 1HD LYS 77 -3.375 10.569 0.094 572 1HE LYS 77 2HE LYS 77 -3.538 9.722 -2.148 573 2HE LYS 77 1HE LYS 77 -5.166 9.686 -1.471 574 1HZ LYS 77 1HZ LYS 77 -4.133 11.221 -3.662 575 2HZ LYS 77 2HZ LYS 77 -4.978 12.173 -2.536 576 3HZ LYS 77 3HZ LYS 77 -5.739 10.842 -3.268 577 H LYS 78 H LYS 78 -5.616 12.992 4.420 578 HA LYS 78 HA LYS 78 -3.427 14.854 5.280 579 1HB LYS 78 2HB LYS 78 -6.435 15.175 5.378 580 2HB LYS 78 1HB LYS 78 -5.334 16.205 6.291 581 1HG LYS 78 2HG LYS 78 -4.788 17.413 4.453 582 2HG LYS 78 1HG LYS 78 -4.490 15.959 3.504 583 1HD LYS 78 2HD LYS 78 -6.301 17.139 2.446 584 2HD LYS 78 1HD LYS 78 -6.999 15.729 3.241 585 1HE LYS 78 2HE LYS 78 -8.445 17.475 3.878 586 2HE LYS 78 1HE LYS 78 -7.364 17.328 5.262 587 1HZ LYS 78 1HZ LYS 78 -6.490 19.105 3.136 588 2HZ LYS 78 2HZ LYS 78 -6.380 19.287 4.821 589 3HZ LYS 78 3HZ LYS 78 -7.841 19.623 4.022 590 H ASP 79 H ASP 79 -4.584 11.969 6.066 591 HA ASP 79 HA ASP 79 -3.973 12.355 8.923 592 1HB ASP 79 2HB ASP 79 -6.525 12.667 8.476 593 2HB ASP 79 1HB ASP 79 -6.536 10.919 8.242 594 HA PRO 80 HA PRO 80 -2.578 8.370 6.860 595 1HB PRO 80 2HB PRO 80 0.024 8.869 7.989 596 2HB PRO 80 1HB PRO 80 -0.446 8.860 6.286 597 1HG PRO 80 2HG PRO 80 0.273 11.118 7.867 598 2HG PRO 80 1HG PRO 80 -0.305 11.116 6.198 599 1HD PRO 80 2HD PRO 80 -1.721 11.952 8.605 600 2HD PRO 80 1HD PRO 80 -2.233 12.103 6.907 601 H GLY 81 H GLY 81 -3.637 9.170 9.692 602 1HA GLY 81 2HA GLY 81 -2.446 6.811 11.102 603 2HA GLY 81 1HA GLY 81 -2.763 8.321 11.955 604 H LYS 82 H LYS 82 -5.266 8.860 10.535 605 HA LYS 82 HA LYS 82 -6.979 6.932 12.024 606 1HB LYS 82 2HB LYS 82 -7.696 9.590 10.749 607 2HB LYS 82 1HB LYS 82 -8.737 8.619 11.792 608 1HG LYS 82 2HG LYS 82 -6.893 8.808 13.560 609 2HG LYS 82 1HG LYS 82 -6.185 10.059 12.537 610 1HD LYS 82 2HD LYS 82 -8.494 11.179 12.578 611 2HD LYS 82 1HD LYS 82 -8.885 10.073 13.895 612 1HE LYS 82 2HE LYS 82 -8.080 12.073 14.932 613 2HE LYS 82 1HE LYS 82 -6.767 10.900 15.050 614 1HZ LYS 82 1HZ LYS 82 -5.471 12.153 13.777 615 2HZ LYS 82 2HZ LYS 82 -6.609 13.400 13.963 616 3HZ LYS 82 3HZ LYS 82 -6.679 12.378 12.608 617 H THR 83 H THR 83 -8.311 5.529 10.945 618 HA THR 83 HA THR 83 -8.059 5.355 8.032 619 HB THR 83 HB THR 83 -9.333 3.304 8.241 620 HG1 THR 83 1HG THR 83 -10.055 4.493 10.659 621 1HG2 THR 83 1HG2 THR 83 -7.893 2.070 9.684 622 2HG2 THR 83 2HG2 THR 83 -7.611 3.471 10.718 623 3HG2 THR 83 3HG2 THR 83 -6.927 3.423 9.093 624 H CYS 84 H CYS 84 -9.803 5.608 6.546 625 HA CYS 84 HA CYS 84 -11.795 7.587 7.383 626 1HB CYS 84 2HB CYS 84 -10.998 6.321 4.775 627 2HB CYS 84 1HB CYS 84 -12.527 7.191 4.889 628 H ASP 85 H ASP 85 -14.024 6.900 5.890 629 HA ASP 85 HA ASP 85 -15.246 4.894 7.602 630 1HB ASP 85 2HB ASP 85 -16.202 6.563 5.279 631 2HB ASP 85 1HB ASP 85 -17.219 5.296 5.966 632 H VAL 86 H VAL 86 -16.070 2.854 6.944 633 HA VAL 86 HA VAL 86 -15.097 1.845 4.301 634 HB VAL 86 HB VAL 86 -15.100 0.152 6.800 635 1HG1 VAL 86 1HG1 VAL 86 -13.687 0.003 4.120 636 2HG1 VAL 86 2HG1 VAL 86 -14.991 -1.044 4.682 637 3HG1 VAL 86 3HG1 VAL 86 -13.408 -1.113 5.457 638 1HG2 VAL 86 1HG2 VAL 86 -12.590 0.624 6.806 639 2HG2 VAL 86 2HG2 VAL 86 -13.616 1.943 7.369 640 3HG2 VAL 86 3HG2 VAL 86 -12.937 1.986 5.741 641 H THR 87 H THR 87 -16.313 -0.163 3.630 642 HA THR 87 HA THR 87 -19.005 -0.376 4.893 643 HB THR 87 HB THR 87 -18.458 0.063 1.945 644 HG1 THR 87 1HG THR 87 -19.361 1.589 4.054 645 1HG2 THR 87 1HG2 THR 87 -20.179 -1.578 2.050 646 2HG2 THR 87 2HG2 THR 87 -21.013 -0.038 1.840 647 3HG2 THR 87 3HG2 THR 87 -20.943 -0.793 3.432 648 H GLY 88 H GLY 88 -16.660 -1.731 2.596 649 1HA GLY 88 2HA GLY 88 -16.763 -4.352 3.631 650 2HA GLY 88 1HA GLY 88 -17.956 -4.281 2.333 651 H TRP 89 H TRP 89 -16.232 -5.982 1.581 652 HA TRP 89 HA TRP 89 -14.225 -4.539 -0.114 653 1HB TRP 89 2HB TRP 89 -13.744 -7.373 0.743 654 2HB TRP 89 1HB TRP 89 -12.578 -6.106 0.363 655 HD1 TRP 89 HD TRP 89 -12.650 -3.963 2.224 656 HE1 TRP 89 1HE TRP 89 -12.724 -4.154 4.795 657 HE3 TRP 89 3HE TRP 89 -14.404 -8.735 2.706 658 HZ2 TRP 89 2HZ TRP 89 -13.433 -6.077 6.790 659 HZ3 TRP 89 3HZ TRP 89 -14.768 -9.720 4.951 660 HH2 TRP 89 HH TRP 89 -14.286 -8.398 6.992 661 H VAL 90 H VAL 90 -14.371 -5.010 -2.269 662 HA VAL 90 HA VAL 90 -16.247 -7.199 -3.070 663 HB VAL 90 HB VAL 90 -15.388 -4.726 -4.592 664 1HG1 VAL 90 1HG1 VAL 90 -15.878 -6.435 -6.182 665 2HG1 VAL 90 2HG1 VAL 90 -17.347 -5.466 -6.066 666 3HG1 VAL 90 3HG1 VAL 90 -17.248 -7.020 -5.238 667 1HG2 VAL 90 1HG2 VAL 90 -16.920 -4.398 -2.593 668 2HG2 VAL 90 2HG2 VAL 90 -18.098 -5.412 -3.426 669 3HG2 VAL 90 3HG2 VAL 90 -17.595 -3.879 -4.137 670 H LEU 91 H LEU 91 -15.605 -8.600 -4.784 671 HA LEU 91 HA LEU 91 -14.076 -9.865 -6.028 672 1HB LEU 91 2HB LEU 91 -13.644 -7.287 -6.778 673 2HB LEU 91 1HB LEU 91 -12.057 -7.676 -6.121 674 HG LEU 91 HG LEU 91 -13.517 -9.337 -8.201 675 1HD1 LEU 91 1HD1 LEU 91 -11.655 -8.461 -9.690 676 2HD1 LEU 91 2HD1 LEU 91 -11.298 -7.288 -8.422 677 3HD1 LEU 91 3HD1 LEU 91 -12.867 -7.266 -9.228 678 1HD2 LEU 91 1HD2 LEU 91 -11.292 -10.438 -8.418 679 2HD2 LEU 91 2HD2 LEU 91 -11.981 -10.648 -6.809 680 3HD2 LEU 91 3HD2 LEU 91 -10.701 -9.464 -7.072 Start of MODEL 15 1 1H GLN 1 1HT GLN 1 -4.669 -6.084 -11.234 2 2H GLN 1 2HT GLN 1 -5.811 -4.889 -11.627 3 3H GLN 1 3HT GLN 1 -4.797 -4.689 -10.279 4 HA GLN 1 HA GLN 1 -3.345 -5.112 -12.720 5 1HB GLN 1 2HB GLN 1 -5.204 -2.739 -12.405 6 2HB GLN 1 1HB GLN 1 -3.816 -2.742 -13.495 7 1HG GLN 1 2HG GLN 1 -4.746 -4.786 -14.599 8 2HG GLN 1 1HG GLN 1 -6.179 -4.640 -13.580 9 1HE2 GLN 1 1HE2 GLN 1 -4.620 -3.431 -16.448 10 2HE2 GLN 1 2HE2 GLN 1 -5.791 -2.267 -16.843 11 H CYS 2 H CYS 2 -1.309 -4.299 -12.330 12 HA CYS 2 HA CYS 2 -0.808 -3.136 -9.680 13 1HB CYS 2 2HB CYS 2 0.666 -4.875 -10.878 14 2HB CYS 2 1HB CYS 2 1.233 -3.533 -11.874 15 H TYR 3 H TYR 3 0.784 -1.195 -9.632 16 HA TYR 3 HA TYR 3 0.408 0.688 -11.882 17 1HB TYR 3 2HB TYR 3 -0.271 2.437 -10.023 18 2HB TYR 3 1HB TYR 3 -1.499 1.391 -10.735 19 HD1 TYR 3 1HD TYR 3 -2.389 -0.540 -9.503 20 HD2 TYR 3 2HD TYR 3 0.518 2.089 -7.747 21 HE1 TYR 3 1HE TYR 3 -2.882 -1.491 -7.266 22 HE2 TYR 3 2HE TYR 3 0.025 1.139 -5.509 23 HH TYR 3 HH TYR 3 -0.899 -0.909 -4.546 24 H PHE 4 H PHE 4 1.783 2.640 -11.594 25 HA PHE 4 HA PHE 4 4.185 2.011 -9.919 26 1HB PHE 4 2HB PHE 4 3.804 3.322 -12.592 27 2HB PHE 4 1HB PHE 4 5.173 3.818 -11.599 28 HD1 PHE 4 1HD PHE 4 7.124 2.497 -11.488 29 HD2 PHE 4 2HD PHE 4 3.490 0.803 -13.031 30 HE1 PHE 4 1HE PHE 4 8.364 0.462 -12.173 31 HE2 PHE 4 2HE PHE 4 4.730 -1.232 -13.715 32 HZ PHE 4 HZ PHE 4 7.167 -1.403 -13.287 33 H ILE 5 H ILE 5 4.696 3.420 -8.311 34 HA ILE 5 HA ILE 5 3.186 5.998 -8.183 35 HB ILE 5 HB ILE 5 4.399 4.351 -5.954 36 1HG1 ILE 5 2HG1 ILE 5 1.487 4.903 -6.588 37 2HG1 ILE 5 1HG1 ILE 5 2.325 3.432 -7.083 38 1HG2 ILE 5 1HG2 ILE 5 3.064 5.978 -4.535 39 2HG2 ILE 5 2HG2 ILE 5 2.849 6.952 -5.990 40 3HG2 ILE 5 3HG2 ILE 5 4.467 6.676 -5.344 41 1HD1 ILE 5 1HD1 ILE 5 2.182 4.380 -4.210 42 2HD1 ILE 5 2HD1 ILE 5 2.759 2.819 -4.794 43 3HD1 ILE 5 3HD1 ILE 5 1.048 3.226 -4.910 44 HA PRO 6 HA PRO 6 7.497 7.368 -8.933 45 1HB PRO 6 2HB PRO 6 6.483 10.057 -9.150 46 2HB PRO 6 1HB PRO 6 7.089 9.007 -10.435 47 1HG PRO 6 2HG PRO 6 4.384 9.792 -9.957 48 2HG PRO 6 1HG PRO 6 4.984 8.691 -11.201 49 1HD PRO 6 2HD PRO 6 3.477 8.047 -8.811 50 2HD PRO 6 1HD PRO 6 4.009 6.945 -10.106 51 H ASN 7 H ASN 7 8.899 7.912 -7.307 52 HA ASN 7 HA ASN 7 8.215 8.372 -4.660 53 1HB ASN 7 2HB ASN 7 10.529 7.927 -5.469 54 2HB ASN 7 1HB ASN 7 10.613 9.586 -6.066 55 1HD2 ASN 7 1HD2 ASN 7 11.470 7.715 -3.436 56 2HD2 ASN 7 2HD2 ASN 7 11.505 8.920 -2.242 57 H GLN 8 H GLN 8 7.880 10.220 -3.365 58 HA GLN 8 HA GLN 8 7.664 12.846 -4.746 59 1HB GLN 8 2HB GLN 8 5.461 13.160 -3.451 60 2HB GLN 8 1HB GLN 8 5.406 12.110 -4.866 61 1HG GLN 8 2HG GLN 8 5.946 10.994 -2.115 62 2HG GLN 8 1HG GLN 8 4.299 11.243 -2.693 63 1HE2 GLN 8 1HE2 GLN 8 6.786 8.964 -2.608 64 2HE2 GLN 8 2HE2 GLN 8 6.279 7.983 -3.896 65 H SER 9 H SER 9 9.093 11.201 -2.392 66 HA SER 9 HA SER 9 8.605 12.922 -0.088 67 1HB SER 9 2HB SER 9 10.035 11.501 1.057 68 2HB SER 9 1HB SER 9 9.547 10.433 -0.257 69 HG SER 9 HG SER 9 11.891 12.025 -0.068 70 H LEU 10 H LEU 10 10.194 14.405 0.808 71 HA LEU 10 HA LEU 10 11.612 15.905 -1.281 72 1HB LEU 10 2HB LEU 10 11.210 16.341 1.688 73 2HB LEU 10 1HB LEU 10 12.198 17.411 0.694 74 HG LEU 10 HG LEU 10 9.417 16.758 -0.231 75 1HD1 LEU 10 1HD1 LEU 10 10.156 18.645 2.015 76 2HD1 LEU 10 2HD1 LEU 10 8.938 17.370 2.026 77 3HD1 LEU 10 3HD1 LEU 10 8.678 18.830 1.071 78 1HD2 LEU 10 1HD2 LEU 10 11.173 18.130 -1.517 79 2HD2 LEU 10 2HD2 LEU 10 10.936 19.375 -0.292 80 3HD2 LEU 10 3HD2 LEU 10 9.589 18.876 -1.313 81 H LYS 11 H LYS 11 12.381 13.172 0.239 82 HA LYS 11 HA LYS 11 15.252 13.909 0.658 83 1HB LYS 11 2HB LYS 11 13.394 12.027 2.008 84 2HB LYS 11 1HB LYS 11 15.032 11.426 1.751 85 1HG LYS 11 2HG LYS 11 14.899 12.548 3.920 86 2HG LYS 11 1HG LYS 11 15.926 13.481 2.833 87 1HD LYS 11 2HD LYS 11 14.145 15.047 2.378 88 2HD LYS 11 1HD LYS 11 12.980 14.049 3.248 89 1HE LYS 11 2HE LYS 11 14.042 16.107 4.467 90 2HE LYS 11 1HE LYS 11 13.890 14.582 5.340 91 1HZ LYS 11 1HZ LYS 11 16.173 14.054 4.709 92 2HZ LYS 11 2HZ LYS 11 16.094 15.494 5.607 93 3HZ LYS 11 3HZ LYS 11 16.313 15.550 3.923 94 HA PRO 12 HA PRO 12 15.273 11.516 -3.263 95 1HB PRO 12 2HB PRO 12 18.023 12.314 -3.592 96 2HB PRO 12 1HB PRO 12 16.608 12.861 -4.495 97 1HG PRO 12 2HG PRO 12 18.135 14.346 -2.600 98 2HG PRO 12 1HG PRO 12 16.667 14.858 -3.437 99 1HD PRO 12 2HD PRO 12 16.988 14.126 -0.643 100 2HD PRO 12 1HD PRO 12 15.537 14.762 -1.460 101 H ASN 13 H ASN 13 15.792 10.349 -0.612 102 HA ASN 13 HA ASN 13 17.469 8.129 -1.471 103 1HB ASN 13 2HB ASN 13 18.253 9.614 1.047 104 2HB ASN 13 1HB ASN 13 19.102 8.266 0.291 105 1HD2 ASN 13 1HD2 ASN 13 18.403 11.736 -0.015 106 2HD2 ASN 13 2HD2 ASN 13 19.599 12.049 -1.178 107 H GLU 14 H GLU 14 14.720 8.397 -0.815 108 HA GLU 14 HA GLU 14 14.578 6.435 1.392 109 1HB GLU 14 2HB GLU 14 13.255 9.149 1.412 110 2HB GLU 14 1HB GLU 14 12.587 7.794 2.325 111 1HG GLU 14 2HG GLU 14 14.788 7.502 3.443 112 2HG GLU 14 1HG GLU 14 15.382 8.926 2.590 113 H CYS 15 H CYS 15 12.155 5.774 1.618 114 HA CYS 15 HA CYS 15 10.832 5.757 -1.063 115 1HB CYS 15 2HB CYS 15 11.903 3.483 0.490 116 2HB CYS 15 1HB CYS 15 10.242 3.259 -0.059 117 H GLN 16 H GLN 16 9.410 7.363 -0.062 118 HA GLN 16 HA GLN 16 7.662 6.313 2.114 119 1HB GLN 16 2HB GLN 16 8.538 8.510 2.580 120 2HB GLN 16 1HB GLN 16 8.074 9.094 0.981 121 1HG GLN 16 2HG GLN 16 5.953 7.968 2.786 122 2HG GLN 16 1HG GLN 16 6.541 9.604 3.076 123 1HE2 GLN 16 1HE2 GLN 16 6.878 10.702 0.603 124 2HE2 GLN 16 2HE2 GLN 16 5.439 10.658 -0.298 125 H ASP 17 H ASP 17 5.379 6.258 1.826 126 HA ASP 17 HA ASP 17 4.340 6.836 -0.898 127 1HB ASP 17 2HB ASP 17 3.645 4.220 0.433 128 2HB ASP 17 1HB ASP 17 3.471 4.677 -1.260 129 H LEU 18 H LEU 18 2.072 7.275 -0.880 130 HA LEU 18 HA LEU 18 0.152 8.191 0.124 131 1HB LEU 18 2HB LEU 18 0.496 6.187 2.344 132 2HB LEU 18 1HB LEU 18 -0.986 6.716 1.547 133 HG LEU 18 HG LEU 18 1.162 4.902 0.417 134 1HD1 LEU 18 1HD1 LEU 18 -0.697 4.035 1.970 135 2HD1 LEU 18 2HD1 LEU 18 -0.527 3.235 0.408 136 3HD1 LEU 18 3HD1 LEU 18 -1.811 4.419 0.657 137 1HD2 LEU 18 1HD2 LEU 18 -0.615 4.869 -1.541 138 2HD2 LEU 18 2HD2 LEU 18 0.600 6.143 -1.482 139 3HD2 LEU 18 3HD2 LEU 18 -1.036 6.462 -0.915 140 H LYS 19 H LYS 19 -0.312 8.086 3.083 141 HA LYS 19 HA LYS 19 1.724 10.142 3.869 142 1HB LYS 19 2HB LYS 19 -1.230 10.057 4.075 143 2HB LYS 19 1HB LYS 19 -0.409 10.606 5.534 144 1HG LYS 19 2HG LYS 19 0.362 11.733 2.848 145 2HG LYS 19 1HG LYS 19 -1.038 12.367 3.710 146 1HD LYS 19 2HD LYS 19 0.291 13.017 5.590 147 2HD LYS 19 1HD LYS 19 1.689 12.121 4.997 148 1HE LYS 19 2HE LYS 19 1.887 13.631 3.083 149 2HE LYS 19 1HE LYS 19 0.432 14.492 3.583 150 1HZ LYS 19 1HZ LYS 19 3.110 14.520 4.765 151 2HZ LYS 19 2HZ LYS 19 1.778 14.715 5.802 152 3HZ LYS 19 3HZ LYS 19 2.025 15.800 4.517 153 H GLY 20 H GLY 20 1.110 7.005 4.364 154 1HA GLY 20 2HA GLY 20 1.764 7.165 7.286 155 2HA GLY 20 1HA GLY 20 0.763 5.887 6.607 156 H VAL 21 H VAL 21 2.561 5.702 4.188 157 HA VAL 21 HA VAL 21 4.372 3.732 5.318 158 HB VAL 21 HB VAL 21 4.410 4.843 2.507 159 1HG1 VAL 21 1HG1 VAL 21 5.193 2.487 2.036 160 2HG1 VAL 21 2HG1 VAL 21 5.295 2.240 3.779 161 3HG1 VAL 21 3HG1 VAL 21 6.316 3.447 2.999 162 1HG2 VAL 21 1HG2 VAL 21 2.154 4.180 2.809 163 2HG2 VAL 21 2HG2 VAL 21 2.602 2.815 3.831 164 3HG2 VAL 21 3HG2 VAL 21 2.920 2.761 2.097 165 H SER 22 H SER 22 6.707 3.794 5.185 166 HA SER 22 HA SER 22 8.191 6.103 4.364 167 1HB SER 22 2HB SER 22 8.841 6.892 6.667 168 2HB SER 22 1HB SER 22 7.168 7.237 6.241 169 HG SER 22 HG SER 22 8.090 5.005 7.740 170 H HIS 23 H HIS 23 9.860 4.817 3.649 171 HA HIS 23 HA HIS 23 11.415 3.363 5.697 172 1HB HIS 23 2HB HIS 23 10.236 2.043 3.236 173 2HB HIS 23 1HB HIS 23 11.533 1.330 4.196 174 HD1 HIS 23 1HD HIS 23 7.938 2.506 4.559 175 HD2 HIS 23 2HD HIS 23 10.670 0.036 6.512 176 HE1 HIS 23 1HE HIS 23 6.652 1.325 6.393 177 HA PRO 24 HA PRO 24 14.780 5.118 3.396 178 1HB PRO 24 2HB PRO 24 16.438 2.773 3.612 179 2HB PRO 24 1HB PRO 24 16.525 4.264 4.553 180 1HG PRO 24 2HG PRO 24 15.536 1.671 5.375 181 2HG PRO 24 1HG PRO 24 15.767 3.123 6.354 182 1HD PRO 24 2HD PRO 24 13.283 1.989 5.565 183 2HD PRO 24 1HD PRO 24 13.530 3.576 6.335 184 H LEU 25 H LEU 25 15.802 4.972 1.305 185 HA LEU 25 HA LEU 25 14.351 3.503 -0.673 186 1HB LEU 25 2HB LEU 25 16.252 5.579 -0.648 187 2HB LEU 25 1HB LEU 25 17.022 4.280 -1.555 188 HG LEU 25 HG LEU 25 14.202 5.233 -2.118 189 1HD1 LEU 25 1HD1 LEU 25 16.851 6.109 -3.289 190 2HD1 LEU 25 2HD1 LEU 25 15.611 7.123 -2.553 191 3HD1 LEU 25 3HD1 LEU 25 15.312 6.356 -4.113 192 1HD2 LEU 25 1HD2 LEU 25 14.632 4.087 -4.284 193 2HD2 LEU 25 2HD2 LEU 25 14.747 2.978 -2.920 194 3HD2 LEU 25 3HD2 LEU 25 16.213 3.587 -3.686 195 H ASN 26 H ASN 26 16.291 2.396 -2.352 196 HA ASN 26 HA ASN 26 17.207 0.249 -2.695 197 1HB ASN 26 2HB ASN 26 18.693 1.242 -0.246 198 2HB ASN 26 1HB ASN 26 19.173 -0.177 -1.176 199 1HD2 ASN 26 1HD2 ASN 26 20.345 2.724 -0.827 200 2HD2 ASN 26 2HD2 ASN 26 20.675 3.189 -2.427 201 H SER 27 H SER 27 15.061 -0.721 -2.063 202 HA SER 27 HA SER 27 15.454 -2.806 -0.105 203 1HB SER 27 2HB SER 27 13.714 -0.449 0.623 204 2HB SER 27 1HB SER 27 13.444 -2.044 1.320 205 HG SER 27 HG SER 27 15.549 -0.250 1.668 206 H VAL 28 H VAL 28 14.601 -4.367 -1.405 207 HA VAL 28 HA VAL 28 11.959 -3.853 -2.709 208 HB VAL 28 HB VAL 28 12.734 -6.012 -3.991 209 1HG1 VAL 28 1HG1 VAL 28 12.506 -3.765 -4.999 210 2HG1 VAL 28 2HG1 VAL 28 13.927 -4.602 -5.625 211 3HG1 VAL 28 3HG1 VAL 28 14.112 -3.343 -4.405 212 1HG2 VAL 28 1HG2 VAL 28 15.110 -6.348 -4.089 213 2HG2 VAL 28 2HG2 VAL 28 14.676 -6.320 -2.380 214 3HG2 VAL 28 3HG2 VAL 28 15.414 -4.902 -3.125 215 H TRP 29 H TRP 29 10.233 -5.114 -2.067 216 HA TRP 29 HA TRP 29 10.740 -7.648 -0.628 217 1HB TRP 29 2HB TRP 29 9.361 -6.990 1.298 218 2HB TRP 29 1HB TRP 29 10.755 -5.920 1.144 219 HD1 TRP 29 HD TRP 29 6.981 -6.030 0.452 220 HE1 TRP 29 1HE TRP 29 6.101 -3.610 0.325 221 HE3 TRP 29 3HE TRP 29 11.389 -3.467 0.758 222 HZ2 TRP 29 2HZ TRP 29 7.128 -0.941 0.350 223 HZ3 TRP 29 3HZ TRP 29 11.408 -0.988 0.705 224 HH2 TRP 29 HH TRP 29 9.286 0.276 0.502 225 H LYS 30 H LYS 30 8.875 -9.008 -0.561 226 HA LYS 30 HA LYS 30 6.465 -8.041 -2.024 227 1HB LYS 30 2HB LYS 30 6.435 -10.111 -3.373 228 2HB LYS 30 1HB LYS 30 7.901 -9.180 -3.679 229 1HG LYS 30 2HG LYS 30 9.002 -11.128 -3.261 230 2HG LYS 30 1HG LYS 30 8.679 -10.777 -1.565 231 1HD LYS 30 2HD LYS 30 6.604 -12.087 -1.669 232 2HD LYS 30 1HD LYS 30 6.871 -12.402 -3.382 233 1HE LYS 30 2HE LYS 30 7.662 -14.338 -2.214 234 2HE LYS 30 1HE LYS 30 9.095 -13.446 -2.722 235 1HZ LYS 30 1HZ LYS 30 7.866 -13.545 -0.031 236 2HZ LYS 30 2HZ LYS 30 8.998 -12.356 -0.469 237 3HZ LYS 30 3HZ LYS 30 9.439 -13.997 -0.482 238 H THR 31 H THR 31 4.576 -9.453 -1.619 239 HA THR 31 HA THR 31 4.868 -11.044 0.903 240 HB THR 31 HB THR 31 2.833 -10.158 1.713 241 HG1 THR 31 1HG THR 31 1.316 -9.366 0.440 242 1HG2 THR 31 1HG2 THR 31 4.185 -7.892 0.222 243 2HG2 THR 31 2HG2 THR 31 4.704 -8.533 1.781 244 3HG2 THR 31 3HG2 THR 31 3.142 -7.727 1.634 245 H LYS 32 H LYS 32 5.170 -12.784 -0.840 246 HA LYS 32 HA LYS 32 4.302 -14.519 -2.180 247 1HB LYS 32 2HB LYS 32 1.982 -14.266 -0.247 248 2HB LYS 32 1HB LYS 32 2.494 -15.714 -1.113 249 1HG LYS 32 2HG LYS 32 4.758 -15.413 0.089 250 2HG LYS 32 1HG LYS 32 3.906 -14.286 1.141 251 1HD LYS 32 2HD LYS 32 3.513 -16.201 2.353 252 2HD LYS 32 1HD LYS 32 2.160 -16.342 1.232 253 1HE LYS 32 2HE LYS 32 4.803 -17.784 1.181 254 2HE LYS 32 1HE LYS 32 3.177 -18.459 1.107 255 1HZ LYS 32 1HZ LYS 32 4.389 -18.434 -1.048 256 2HZ LYS 32 2HZ LYS 32 4.339 -16.736 -1.010 257 3HZ LYS 32 3HZ LYS 32 2.896 -17.629 -1.083 258 H ASP 33 H ASP 33 1.084 -14.544 -1.955 259 HA ASP 33 HA ASP 33 0.753 -12.910 -4.435 260 1HB ASP 33 2HB ASP 33 -0.974 -15.149 -3.332 261 2HB ASP 33 1HB ASP 33 -1.213 -14.320 -4.871 262 H CYS 34 H CYS 34 0.498 -12.255 -1.350 263 HA CYS 34 HA CYS 34 -2.307 -11.332 -1.262 264 1HB CYS 34 2HB CYS 34 -0.012 -11.346 0.689 265 2HB CYS 34 1HB CYS 34 -1.429 -10.340 0.989 266 H GLU 35 H GLU 35 0.959 -9.954 -1.378 267 HA GLU 35 HA GLU 35 -0.061 -7.570 -2.732 268 1HB GLU 35 2HB GLU 35 -0.533 -6.835 -0.495 269 2HB GLU 35 1HB GLU 35 1.013 -7.436 0.098 270 1HG GLU 35 2HG GLU 35 2.231 -5.745 -1.068 271 2HG GLU 35 1HG GLU 35 0.819 -5.288 -2.022 272 H GLU 36 H GLU 36 1.806 -6.111 -3.328 273 HA GLU 36 HA GLU 36 4.490 -7.322 -3.073 274 1HB GLU 36 2HB GLU 36 3.545 -8.412 -5.074 275 2HB GLU 36 1HB GLU 36 3.173 -6.835 -5.765 276 1HG GLU 36 2HG GLU 36 5.987 -7.502 -4.911 277 2HG GLU 36 1HG GLU 36 5.383 -8.021 -6.484 278 H CYS 37 H CYS 37 6.137 -5.756 -3.316 279 HA CYS 37 HA CYS 37 5.513 -3.115 -4.395 280 1HB CYS 37 2HB CYS 37 5.592 -3.642 -1.456 281 2HB CYS 37 1HB CYS 37 6.317 -2.144 -2.040 282 H THR 38 H THR 38 7.354 -2.214 -5.179 283 HA THR 38 HA THR 38 9.982 -3.139 -4.092 284 HB THR 38 HB THR 38 10.819 -3.133 -6.473 285 HG1 THR 38 1HG THR 38 8.373 -2.162 -6.857 286 1HG2 THR 38 1HG2 THR 38 8.687 -5.047 -5.545 287 2HG2 THR 38 2HG2 THR 38 10.432 -5.284 -5.599 288 3HG2 THR 38 3HG2 THR 38 9.496 -5.275 -7.094 289 H CYS 39 H CYS 39 11.722 -1.570 -4.507 290 HA CYS 39 HA CYS 39 10.651 1.205 -4.859 291 1HB CYS 39 2HB CYS 39 12.749 0.013 -3.099 292 2HB CYS 39 1HB CYS 39 13.027 1.648 -3.697 293 H GLY 40 H GLY 40 11.021 1.770 -6.963 294 1HA GLY 40 2HA GLY 40 13.446 0.839 -8.356 295 2HA GLY 40 1HA GLY 40 12.148 1.802 -9.066 296 H GLN 41 H GLN 41 15.293 2.033 -8.484 297 HA GLN 41 HA GLN 41 15.837 4.289 -6.951 298 1HB GLN 41 2HB GLN 41 17.570 2.963 -8.121 299 2HB GLN 41 1HB GLN 41 17.036 3.634 -9.660 300 1HG GLN 41 2HG GLN 41 19.002 4.853 -8.817 301 2HG GLN 41 1HG GLN 41 17.591 5.909 -8.861 302 1HE2 GLN 41 1HE2 GLN 41 17.175 7.023 -6.945 303 2HE2 GLN 41 2HE2 GLN 41 17.753 6.573 -5.413 304 H ASP 42 H ASP 42 14.146 4.140 -10.005 305 HA ASP 42 HA ASP 42 14.172 7.121 -10.188 306 1HB ASP 42 2HB ASP 42 13.107 6.649 -12.458 307 2HB ASP 42 1HB ASP 42 14.776 6.111 -12.271 308 H ALA 43 H ALA 43 12.115 4.387 -9.503 309 HA ALA 43 HA ALA 43 9.984 6.197 -8.643 310 1HB ALA 43 1HB ALA 43 9.588 4.358 -11.020 311 2HB ALA 43 2HB ALA 43 9.403 6.111 -10.989 312 3HB ALA 43 3HB ALA 43 8.260 5.088 -10.118 313 H ILE 44 H ILE 44 7.965 4.655 -8.071 314 HA ILE 44 HA ILE 44 9.093 2.211 -6.748 315 HB ILE 44 HB ILE 44 6.798 3.918 -5.741 316 1HG1 ILE 44 2HG1 ILE 44 9.730 3.898 -4.955 317 2HG1 ILE 44 1HG1 ILE 44 8.841 5.247 -5.666 318 1HG2 ILE 44 1HG2 ILE 44 8.492 1.879 -4.279 319 2HG2 ILE 44 2HG2 ILE 44 6.978 1.462 -5.080 320 3HG2 ILE 44 3HG2 ILE 44 6.980 2.609 -3.742 321 1HD1 ILE 44 1HD1 ILE 44 8.921 5.684 -3.317 322 2HD1 ILE 44 2HD1 ILE 44 8.472 4.025 -2.924 323 3HD1 ILE 44 3HD1 ILE 44 7.285 5.111 -3.645 324 H SER 45 H SER 45 7.798 0.341 -6.845 325 HA SER 45 HA SER 45 5.340 0.545 -8.549 326 1HB SER 45 2HB SER 45 7.356 -0.504 -9.683 327 2HB SER 45 1HB SER 45 7.258 -1.796 -8.491 328 HG SER 45 HG SER 45 5.217 -0.982 -10.296 329 H CYS 46 H CYS 46 3.559 -0.594 -7.803 330 HA CYS 46 HA CYS 46 3.905 -2.548 -5.617 331 1HB CYS 46 2HB CYS 46 2.610 0.142 -5.302 332 2HB CYS 46 1HB CYS 46 1.988 -1.230 -4.384 333 H CYS 47 H CYS 47 2.387 -4.125 -5.725 334 HA CYS 47 HA CYS 47 0.031 -3.665 -7.524 335 1HB CYS 47 2HB CYS 47 1.325 -6.359 -7.107 336 2HB CYS 47 1HB CYS 47 0.262 -5.840 -8.414 337 H ASN 48 H ASN 48 -1.850 -5.077 -6.961 338 HA ASN 48 HA ASN 48 -1.862 -5.898 -4.084 339 1HB ASN 48 2HB ASN 48 -4.335 -5.015 -4.196 340 2HB ASN 48 1HB ASN 48 -3.021 -3.871 -3.930 341 1HD2 ASN 48 1HD2 ASN 48 -4.727 -2.329 -4.937 342 2HD2 ASN 48 2HD2 ASN 48 -4.744 -2.201 -6.630 343 H THR 49 H THR 49 -3.476 -7.531 -3.596 344 HA THR 49 HA THR 49 -4.630 -8.915 -5.980 345 HB THR 49 HB THR 49 -4.001 -11.091 -4.798 346 HG1 THR 49 1HG THR 49 -2.083 -9.466 -3.520 347 1HG2 THR 49 1HG2 THR 49 -1.775 -11.113 -5.752 348 2HG2 THR 49 2HG2 THR 49 -1.685 -9.353 -5.688 349 3HG2 THR 49 3HG2 THR 49 -2.810 -10.139 -6.794 350 H ALA 50 H ALA 50 -4.724 -8.245 -2.526 351 HA ALA 50 HA ALA 50 -7.026 -9.843 -1.911 352 1HB ALA 50 1HB ALA 50 -7.255 -8.241 0.044 353 2HB ALA 50 2HB ALA 50 -5.887 -7.350 -0.622 354 3HB ALA 50 3HB ALA 50 -5.678 -9.021 -0.095 355 H ALA 51 H ALA 51 -9.169 -8.776 -1.234 356 HA ALA 51 HA ALA 51 -10.489 -7.669 -3.442 357 1HB ALA 51 1HB ALA 51 -11.221 -7.022 -0.579 358 2HB ALA 51 2HB ALA 51 -11.526 -8.600 -1.304 359 3HB ALA 51 3HB ALA 51 -12.302 -7.161 -1.966 360 H ILE 52 H ILE 52 -11.586 -5.384 -3.328 361 HA ILE 52 HA ILE 52 -9.568 -3.351 -2.490 362 HB ILE 52 HB ILE 52 -11.106 -3.319 -5.103 363 1HG1 ILE 52 2HG1 ILE 52 -8.622 -3.557 -5.956 364 2HG1 ILE 52 1HG1 ILE 52 -8.339 -4.258 -4.363 365 1HG2 ILE 52 1HG2 ILE 52 -10.476 -1.103 -4.073 366 2HG2 ILE 52 2HG2 ILE 52 -9.743 -1.403 -5.648 367 3HG2 ILE 52 3HG2 ILE 52 -8.788 -1.602 -4.179 368 1HD1 ILE 52 1HD1 ILE 52 -9.061 -6.215 -5.221 369 2HD1 ILE 52 2HD1 ILE 52 -9.644 -5.431 -6.688 370 3HD1 ILE 52 3HD1 ILE 52 -10.679 -5.516 -5.265 371 HA PRO 53 HA PRO 53 -13.217 -1.654 -0.507 372 1HB PRO 53 2HB PRO 53 -12.113 1.004 -0.579 373 2HB PRO 53 1HB PRO 53 -12.213 -0.104 0.793 374 1HG PRO 53 2HG PRO 53 -9.884 0.643 -0.730 375 2HG PRO 53 1HG PRO 53 -9.974 -0.399 0.692 376 1HD PRO 53 2HD PRO 53 -9.438 -1.193 -2.001 377 2HD PRO 53 1HD PRO 53 -9.672 -2.256 -0.591 378 H THR 54 H THR 54 -15.003 -1.458 -1.817 379 HA THR 54 HA THR 54 -14.901 0.512 -4.072 380 HB THR 54 HB THR 54 -16.702 -0.760 -5.090 381 HG1 THR 54 1HG THR 54 -17.771 -2.276 -4.023 382 1HG2 THR 54 1HG2 THR 54 -14.234 -1.565 -5.158 383 2HG2 THR 54 2HG2 THR 54 -15.489 -2.686 -5.687 384 3HG2 THR 54 3HG2 THR 54 -14.782 -2.848 -4.080 385 H GLY 55 H GLY 55 -17.317 1.321 -4.507 386 1HA GLY 55 2HA GLY 55 -18.932 2.834 -3.703 387 2HA GLY 55 1HA GLY 55 -19.238 1.583 -2.496 388 H TYR 56 H TYR 56 -16.036 2.722 -2.456 389 HA TYR 56 HA TYR 56 -16.406 3.895 0.182 390 1HB TYR 56 2HB TYR 56 -14.310 2.966 0.137 391 2HB TYR 56 1HB TYR 56 -14.136 3.204 -1.600 392 HD1 TYR 56 1HD TYR 56 -13.794 4.786 1.720 393 HD2 TYR 56 2HD TYR 56 -13.221 5.257 -2.510 394 HE1 TYR 56 1HE TYR 56 -12.405 6.798 2.131 395 HE2 TYR 56 2HE TYR 56 -11.832 7.269 -2.100 396 HH TYR 56 HH TYR 56 -11.837 9.047 0.284 397 H ASP 57 H ASP 57 -17.036 5.962 0.515 398 HA ASP 57 HA ASP 57 -16.107 8.075 -1.367 399 1HB ASP 57 2HB ASP 57 -18.387 7.449 -2.084 400 2HB ASP 57 1HB ASP 57 -18.980 7.731 -0.447 401 H THR 58 H THR 58 -15.598 9.989 -0.308 402 HA THR 58 HA THR 58 -16.661 10.643 2.313 403 HB THR 58 HB THR 58 -15.104 8.942 3.057 404 HG1 THR 58 1HG THR 58 -13.519 10.447 4.102 405 1HG2 THR 58 1HG2 THR 58 -13.691 8.884 1.044 406 2HG2 THR 58 2HG2 THR 58 -12.704 9.084 2.492 407 3HG2 THR 58 3HG2 THR 58 -13.035 10.469 1.452 408 H ASN 59 H ASN 59 -13.875 11.945 2.815 409 HA ASN 59 HA ASN 59 -14.470 14.362 1.202 410 1HB ASN 59 2HB ASN 59 -12.569 13.914 3.523 411 2HB ASN 59 1HB ASN 59 -12.851 15.466 2.734 412 1HD2 ASN 59 1HD2 ASN 59 -13.619 14.119 5.528 413 2HD2 ASN 59 2HD2 ASN 59 -15.232 14.611 5.720 414 H LYS 60 H LYS 60 -11.531 12.518 2.131 415 HA LYS 60 HA LYS 60 -10.579 12.371 -0.582 416 1HB LYS 60 2HB LYS 60 -8.530 13.906 -0.052 417 2HB LYS 60 1HB LYS 60 -10.048 14.657 -0.545 418 1HG LYS 60 2HG LYS 60 -10.616 15.209 1.714 419 2HG LYS 60 1HG LYS 60 -9.321 14.200 2.356 420 1HD LYS 60 2HD LYS 60 -7.637 15.692 1.634 421 2HD LYS 60 1HD LYS 60 -8.723 16.513 0.513 422 1HE LYS 60 2HE LYS 60 -9.275 16.534 3.477 423 2HE LYS 60 1HE LYS 60 -8.158 17.696 2.759 424 1HZ LYS 60 1HZ LYS 60 -10.113 18.820 2.560 425 2HZ LYS 60 2HZ LYS 60 -11.050 17.415 2.382 426 3HZ LYS 60 3HZ LYS 60 -10.123 17.991 1.080 427 H CYS 61 H CYS 61 -10.816 10.435 1.363 428 HA CYS 61 HA CYS 61 -8.207 10.055 2.677 429 1HB CYS 61 2HB CYS 61 -10.555 8.149 2.462 430 2HB CYS 61 1HB CYS 61 -9.186 8.006 3.561 431 H GLN 62 H GLN 62 -7.334 7.650 2.361 432 HA GLN 62 HA GLN 62 -7.339 7.023 -0.563 433 1HB GLN 62 2HB GLN 62 -5.291 8.322 0.133 434 2HB GLN 62 1HB GLN 62 -4.883 6.988 1.213 435 1HG GLN 62 2HG GLN 62 -4.514 5.494 -0.562 436 2HG GLN 62 1HG GLN 62 -5.438 6.472 -1.703 437 1HE2 GLN 62 1HE2 GLN 62 -3.197 8.101 0.452 438 2HE2 GLN 62 2HE2 GLN 62 -2.020 8.445 -0.722 439 H LYS 63 H LYS 63 -6.386 4.770 -0.938 440 HA LYS 63 HA LYS 63 -7.303 2.958 1.262 441 1HB LYS 63 2HB LYS 63 -7.504 1.282 -0.674 442 2HB LYS 63 1HB LYS 63 -8.680 2.597 -0.638 443 1HG LYS 63 2HG LYS 63 -7.374 3.863 -2.266 444 2HG LYS 63 1HG LYS 63 -6.118 2.623 -2.259 445 1HD LYS 63 2HD LYS 63 -7.493 1.047 -3.343 446 2HD LYS 63 1HD LYS 63 -8.971 1.917 -2.933 447 1HE LYS 63 2HE LYS 63 -6.859 3.131 -4.719 448 2HE LYS 63 1HE LYS 63 -8.150 2.117 -5.363 449 1HZ LYS 63 1HZ LYS 63 -8.257 4.818 -4.400 450 2HZ LYS 63 2HZ LYS 63 -9.460 3.828 -3.722 451 3HZ LYS 63 3HZ LYS 63 -9.336 3.984 -5.409 452 H ILE 64 H ILE 64 -5.912 1.392 2.002 453 HA ILE 64 HA ILE 64 -3.262 1.121 0.638 454 HB ILE 64 HB ILE 64 -3.208 2.561 2.728 455 1HG1 ILE 64 2HG1 ILE 64 -1.682 -0.053 2.935 456 2HG1 ILE 64 1HG1 ILE 64 -1.244 1.257 1.838 457 1HG2 ILE 64 1HG2 ILE 64 -3.613 -0.042 4.202 458 2HG2 ILE 64 2HG2 ILE 64 -4.959 1.044 3.861 459 3HG2 ILE 64 3HG2 ILE 64 -3.611 1.597 4.853 460 1HD1 ILE 64 1HD1 ILE 64 -1.299 1.320 4.863 461 2HD1 ILE 64 2HD1 ILE 64 -1.185 2.780 3.881 462 3HD1 ILE 64 3HD1 ILE 64 0.089 1.564 3.803 463 H LEU 65 H LEU 65 -2.178 -0.971 1.211 464 HA LEU 65 HA LEU 65 -4.207 -3.102 1.764 465 1HB LEU 65 2HB LEU 65 -3.011 -2.900 -0.556 466 2HB LEU 65 1HB LEU 65 -1.627 -3.589 0.289 467 HG LEU 65 HG LEU 65 -4.387 -4.836 0.313 468 1HD1 LEU 65 1HD1 LEU 65 -3.264 -6.511 -1.264 469 2HD1 LEU 65 2HD1 LEU 65 -2.015 -5.289 -1.503 470 3HD1 LEU 65 3HD1 LEU 65 -3.682 -4.946 -1.958 471 1HD2 LEU 65 1HD2 LEU 65 -2.847 -6.869 0.889 472 2HD2 LEU 65 2HD2 LEU 65 -3.188 -5.690 2.151 473 3HD2 LEU 65 3HD2 LEU 65 -1.650 -5.641 1.295 474 H ASN 66 H ASN 66 -3.908 -4.038 3.715 475 HA ASN 66 HA ASN 66 -1.330 -3.795 5.110 476 1HB ASN 66 2HB ASN 66 -3.622 -3.606 6.226 477 2HB ASN 66 1HB ASN 66 -3.768 -5.350 6.007 478 1HD2 ASN 66 1HD2 ASN 66 -1.668 -2.864 7.526 479 2HD2 ASN 66 2HD2 ASN 66 -1.058 -3.894 8.729 480 H LYS 67 H LYS 67 0.204 -5.399 5.160 481 HA LYS 67 HA LYS 67 -0.377 -7.886 3.660 482 1HB LYS 67 2HB LYS 67 2.020 -8.213 3.621 483 2HB LYS 67 1HB LYS 67 1.686 -6.537 3.191 484 1HG LYS 67 2HG LYS 67 3.169 -5.984 4.819 485 2HG LYS 67 1HG LYS 67 1.900 -6.425 5.959 486 1HD LYS 67 2HD LYS 67 2.754 -8.768 5.955 487 2HD LYS 67 1HD LYS 67 4.065 -8.261 4.891 488 1HE LYS 67 2HE LYS 67 5.022 -8.163 7.048 489 2HE LYS 67 1HE LYS 67 4.588 -6.488 6.705 490 1HZ LYS 67 1HZ LYS 67 3.497 -6.593 8.631 491 2HZ LYS 67 2HZ LYS 67 3.534 -8.291 8.682 492 3HZ LYS 67 3HZ LYS 67 2.327 -7.491 7.793 493 H LYS 68 H LYS 68 -0.620 -6.938 6.838 494 HA LYS 68 HA LYS 68 0.647 -9.035 8.271 495 1HB LYS 68 2HB LYS 68 -0.553 -6.938 9.192 496 2HB LYS 68 1HB LYS 68 -2.035 -7.884 9.051 497 1HG LYS 68 2HG LYS 68 -1.069 -9.635 10.484 498 2HG LYS 68 1HG LYS 68 0.429 -8.712 10.613 499 1HD LYS 68 2HD LYS 68 -1.033 -6.792 11.511 500 2HD LYS 68 1HD LYS 68 -2.298 -8.006 11.703 501 1HE LYS 68 2HE LYS 68 -1.097 -7.832 13.802 502 2HE LYS 68 1HE LYS 68 -0.683 -9.376 13.059 503 1HZ LYS 68 1HZ LYS 68 1.306 -8.323 13.827 504 2HZ LYS 68 2HZ LYS 68 0.931 -6.886 13.001 505 3HZ LYS 68 3HZ LYS 68 1.312 -8.294 12.130 506 H THR 69 H THR 69 -2.745 -8.810 7.176 507 HA THR 69 HA THR 69 -2.763 -11.793 6.937 508 HB THR 69 HB THR 69 -5.142 -11.732 7.725 509 HG1 THR 69 1HG THR 69 -5.792 -9.819 8.785 510 1HG2 THR 69 1HG2 THR 69 -2.917 -10.780 9.526 511 2HG2 THR 69 2HG2 THR 69 -3.563 -12.412 9.356 512 3HG2 THR 69 3HG2 THR 69 -4.520 -11.163 10.154 513 H CYS 70 H CYS 70 -2.370 -9.647 4.931 514 HA CYS 70 HA CYS 70 -3.163 -9.066 2.798 515 1HB CYS 70 2HB CYS 70 -4.923 -11.514 2.931 516 2HB CYS 70 1HB CYS 70 -4.077 -10.836 1.540 517 H THR 71 H THR 71 -4.334 -7.261 3.889 518 HA THR 71 HA THR 71 -7.266 -7.531 3.454 519 HB THR 71 HB THR 71 -7.860 -7.112 5.613 520 HG1 THR 71 1HG THR 71 -5.654 -5.347 5.585 521 1HG2 THR 71 1HG2 THR 71 -6.240 -7.865 7.296 522 2HG2 THR 71 2HG2 THR 71 -4.932 -7.712 6.124 523 3HG2 THR 71 3HG2 THR 71 -6.194 -8.921 5.884 524 H TYR 72 H TYR 72 -8.273 -5.227 3.702 525 HA TYR 72 HA TYR 72 -6.382 -3.224 2.519 526 1HB TYR 72 2HB TYR 72 -8.934 -4.279 1.535 527 2HB TYR 72 1HB TYR 72 -8.939 -2.519 1.645 528 HD1 TYR 72 1HD TYR 72 -7.419 -1.163 0.306 529 HD2 TYR 72 2HD TYR 72 -7.363 -5.451 0.058 530 HE1 TYR 72 1HE TYR 72 -6.059 -1.025 -1.761 531 HE2 TYR 72 2HE TYR 72 -6.001 -5.313 -2.009 532 HH TYR 72 HH TYR 72 -4.791 -2.206 -3.206 533 H THR 73 H THR 73 -6.537 -1.129 3.322 534 HA THR 73 HA THR 73 -8.669 -0.569 5.332 535 HB THR 73 HB THR 73 -7.218 -0.243 7.058 536 HG1 THR 73 1HG THR 73 -5.261 0.851 6.773 537 1HG2 THR 73 1HG2 THR 73 -5.218 -1.620 6.980 538 2HG2 THR 73 2HG2 THR 73 -5.236 -1.607 5.217 539 3HG2 THR 73 3HG2 THR 73 -6.508 -2.444 6.105 540 H VAL 74 H VAL 74 -8.617 1.869 5.880 541 HA VAL 74 HA VAL 74 -7.792 3.449 3.470 542 HB VAL 74 HB VAL 74 -10.292 4.096 5.016 543 1HG1 VAL 74 1HG1 VAL 74 -10.932 5.169 2.957 544 2HG1 VAL 74 2HG1 VAL 74 -9.612 4.398 2.079 545 3HG1 VAL 74 3HG1 VAL 74 -9.264 5.639 3.283 546 1HG2 VAL 74 1HG2 VAL 74 -11.482 2.746 3.172 547 2HG2 VAL 74 2HG2 VAL 74 -10.724 1.821 4.468 548 3HG2 VAL 74 3HG2 VAL 74 -9.925 1.965 2.902 549 H VAL 75 H VAL 75 -6.405 5.011 4.060 550 HA VAL 75 HA VAL 75 -6.511 6.046 6.867 551 HB VAL 75 HB VAL 75 -4.130 6.881 6.196 552 1HG1 VAL 75 1HG1 VAL 75 -4.344 5.154 7.832 553 2HG1 VAL 75 2HG1 VAL 75 -3.210 4.535 6.633 554 3HG1 VAL 75 3HG1 VAL 75 -4.884 3.983 6.629 555 1HG2 VAL 75 1HG2 VAL 75 -3.057 5.628 4.420 556 2HG2 VAL 75 2HG2 VAL 75 -4.512 6.372 3.757 557 3HG2 VAL 75 3HG2 VAL 75 -4.507 4.658 4.167 558 H GLU 76 H GLU 76 -5.824 8.422 7.006 559 HA GLU 76 HA GLU 76 -7.126 9.928 4.771 560 1HB GLU 76 2HB GLU 76 -7.950 9.984 7.286 561 2HB GLU 76 1HB GLU 76 -6.621 11.127 7.478 562 1HG GLU 76 2HG GLU 76 -7.536 12.491 5.626 563 2HG GLU 76 1HG GLU 76 -8.876 11.356 5.462 564 H LYS 77 H LYS 77 -6.033 11.699 3.875 565 HA LYS 77 HA LYS 77 -3.154 11.618 3.998 566 1HB LYS 77 2HB LYS 77 -4.996 13.725 2.826 567 2HB LYS 77 1HB LYS 77 -3.264 13.603 2.521 568 1HG LYS 77 2HG LYS 77 -5.006 11.206 2.019 569 2HG LYS 77 1HG LYS 77 -4.991 12.510 0.836 570 1HD LYS 77 2HD LYS 77 -2.514 11.085 1.860 571 2HD LYS 77 1HD LYS 77 -3.315 10.727 0.333 572 1HE LYS 77 2HE LYS 77 -1.577 13.016 1.060 573 2HE LYS 77 1HE LYS 77 -1.832 12.252 -0.507 574 1HZ LYS 77 1HZ LYS 77 -3.855 13.977 0.803 575 2HZ LYS 77 2HZ LYS 77 -3.842 13.426 -0.805 576 3HZ LYS 77 3HZ LYS 77 -2.699 14.572 -0.287 577 H LYS 78 H LYS 78 -5.551 13.278 5.847 578 HA LYS 78 HA LYS 78 -3.464 15.122 6.947 579 1HB LYS 78 2HB LYS 78 -6.476 15.289 6.808 580 2HB LYS 78 1HB LYS 78 -5.551 16.291 7.925 581 1HG LYS 78 2HG LYS 78 -4.694 16.200 5.052 582 2HG LYS 78 1HG LYS 78 -6.115 17.155 5.475 583 1HD LYS 78 2HD LYS 78 -4.880 18.546 6.951 584 2HD LYS 78 1HD LYS 78 -3.514 17.431 6.987 585 1HE LYS 78 2HE LYS 78 -4.435 18.930 4.518 586 2HE LYS 78 1HE LYS 78 -3.095 19.432 5.548 587 1HZ LYS 78 1HZ LYS 78 -3.171 17.412 3.536 588 2HZ LYS 78 2HZ LYS 78 -2.613 16.793 5.017 589 3HZ LYS 78 3HZ LYS 78 -1.832 18.122 4.301 590 H ASP 79 H ASP 79 -4.543 12.164 7.603 591 HA ASP 79 HA ASP 79 -3.957 12.408 10.448 592 1HB ASP 79 2HB ASP 79 -6.451 13.033 10.078 593 2HB ASP 79 1HB ASP 79 -6.681 11.311 9.778 594 HA PRO 80 HA PRO 80 -3.037 8.359 8.245 595 1HB PRO 80 2HB PRO 80 -0.446 8.459 9.501 596 2HB PRO 80 1HB PRO 80 -0.834 8.590 7.784 597 1HG PRO 80 2HG PRO 80 0.071 10.664 9.531 598 2HG PRO 80 1HG PRO 80 -0.366 10.801 7.827 599 1HD PRO 80 2HD PRO 80 -1.829 11.771 10.130 600 2HD PRO 80 1HD PRO 80 -2.234 11.970 8.408 601 H GLY 81 H GLY 81 -3.081 9.535 11.475 602 1HA GLY 81 2HA GLY 81 -2.630 6.857 12.662 603 2HA GLY 81 1HA GLY 81 -2.855 8.358 13.560 604 H LYS 82 H LYS 82 -5.117 8.072 11.061 605 HA LYS 82 HA LYS 82 -7.113 6.718 12.817 606 1HB LYS 82 2HB LYS 82 -7.310 9.483 11.613 607 2HB LYS 82 1HB LYS 82 -8.748 8.561 12.049 608 1HG LYS 82 2HG LYS 82 -6.558 8.819 14.081 609 2HG LYS 82 1HG LYS 82 -7.604 10.209 13.798 610 1HD LYS 82 2HD LYS 82 -9.591 8.803 14.222 611 2HD LYS 82 1HD LYS 82 -8.545 7.416 14.519 612 1HE LYS 82 2HE LYS 82 -7.877 8.188 16.579 613 2HE LYS 82 1HE LYS 82 -7.953 9.880 16.087 614 1HZ LYS 82 1HZ LYS 82 -10.497 9.339 15.963 615 2HZ LYS 82 2HZ LYS 82 -9.763 9.764 17.434 616 3HZ LYS 82 3HZ LYS 82 -10.083 8.133 17.079 617 H THR 83 H THR 83 -8.600 5.493 11.658 618 HA THR 83 HA THR 83 -8.027 5.109 8.801 619 HB THR 83 HB THR 83 -9.802 3.328 9.004 620 HG1 THR 83 1HG THR 83 -11.055 3.497 10.657 621 1HG2 THR 83 1HG2 THR 83 -7.352 2.940 9.440 622 2HG2 THR 83 2HG2 THR 83 -8.422 1.829 10.295 623 3HG2 THR 83 3HG2 THR 83 -7.679 3.177 11.156 624 H CYS 84 H CYS 84 -9.630 5.376 7.133 625 HA CYS 84 HA CYS 84 -11.499 7.597 7.696 626 1HB CYS 84 2HB CYS 84 -9.919 7.385 5.641 627 2HB CYS 84 1HB CYS 84 -11.131 6.267 5.017 628 H ASP 85 H ASP 85 -13.471 7.035 5.770 629 HA ASP 85 HA ASP 85 -14.971 4.912 7.196 630 1HB ASP 85 2HB ASP 85 -16.104 7.055 6.884 631 2HB ASP 85 1HB ASP 85 -15.849 6.962 5.141 632 H VAL 86 H VAL 86 -16.063 3.224 6.010 633 HA VAL 86 HA VAL 86 -14.973 2.705 3.271 634 HB VAL 86 HB VAL 86 -15.458 0.515 5.293 635 1HG1 VAL 86 1HG1 VAL 86 -13.795 0.748 2.766 636 2HG1 VAL 86 2HG1 VAL 86 -15.291 -0.165 2.953 637 3HG1 VAL 86 3HG1 VAL 86 -13.837 -0.673 3.810 638 1HG2 VAL 86 1HG2 VAL 86 -12.894 0.594 5.534 639 2HG2 VAL 86 2HG2 VAL 86 -13.811 1.832 6.391 640 3HG2 VAL 86 3HG2 VAL 86 -13.001 2.225 4.875 641 H THR 87 H THR 87 -16.364 1.023 2.115 642 HA THR 87 HA THR 87 -19.217 1.196 3.005 643 HB THR 87 HB THR 87 -18.161 1.472 0.176 644 HG1 THR 87 1HG THR 87 -18.674 3.225 2.162 645 1HG2 THR 87 1HG2 THR 87 -20.268 0.312 0.125 646 2HG2 THR 87 2HG2 THR 87 -20.592 1.994 -0.297 647 3HG2 THR 87 3HG2 THR 87 -20.961 1.405 1.324 648 H GLY 88 H GLY 88 -16.963 -0.502 0.826 649 1HA GLY 88 2HA GLY 88 -17.792 -3.091 1.804 650 2HA GLY 88 1HA GLY 88 -18.512 -2.752 0.230 651 H TRP 89 H TRP 89 -17.067 -4.739 -0.235 652 HA TRP 89 HA TRP 89 -14.520 -3.725 -1.372 653 1HB TRP 89 2HB TRP 89 -14.343 -6.401 -0.078 654 2HB TRP 89 1HB TRP 89 -13.126 -5.131 -0.205 655 HD1 TRP 89 HD TRP 89 -13.622 -2.908 1.420 656 HE1 TRP 89 1HE TRP 89 -14.503 -2.881 3.842 657 HE3 TRP 89 3HE TRP 89 -15.730 -7.554 1.642 658 HZ2 TRP 89 2HZ TRP 89 -15.917 -4.604 5.637 659 HZ3 TRP 89 3HZ TRP 89 -16.835 -8.335 3.717 660 HH2 TRP 89 HH TRP 89 -16.931 -6.867 5.714 661 H VAL 90 H VAL 90 -13.581 -5.443 -2.892 662 HA VAL 90 HA VAL 90 -15.729 -7.195 -4.014 663 HB VAL 90 HB VAL 90 -15.596 -5.143 -5.377 664 1HG1 VAL 90 1HG1 VAL 90 -13.618 -4.308 -6.278 665 2HG1 VAL 90 2HG1 VAL 90 -12.796 -5.865 -6.189 666 3HG1 VAL 90 3HG1 VAL 90 -13.046 -4.914 -4.724 667 1HG2 VAL 90 1HG2 VAL 90 -15.920 -7.489 -6.374 668 2HG2 VAL 90 2HG2 VAL 90 -14.234 -7.386 -6.882 669 3HG2 VAL 90 3HG2 VAL 90 -15.411 -6.224 -7.493 670 H LEU 91 H LEU 91 -14.941 -9.227 -3.773 671 HA LEU 91 HA LEU 91 -12.039 -9.712 -3.775 672 1HB LEU 91 2HB LEU 91 -13.541 -10.892 -2.178 673 2HB LEU 91 1HB LEU 91 -14.349 -11.666 -3.540 674 HG LEU 91 HG LEU 91 -12.179 -12.675 -4.225 675 1HD1 LEU 91 1HD1 LEU 91 -10.454 -12.623 -2.211 676 2HD1 LEU 91 2HD1 LEU 91 -11.242 -11.086 -1.855 677 3HD1 LEU 91 3HD1 LEU 91 -10.458 -11.336 -3.415 678 1HD2 LEU 91 1HD2 LEU 91 -13.760 -13.899 -2.754 679 2HD2 LEU 91 2HD2 LEU 91 -12.952 -13.221 -1.341 680 3HD2 LEU 91 3HD2 LEU 91 -12.085 -14.328 -2.407 Start of MODEL 16 1 1H GLN 1 1HT GLN 1 -3.402 -6.218 -12.224 2 2H GLN 1 2HT GLN 1 -4.957 -5.755 -12.726 3 3H GLN 1 3HT GLN 1 -4.336 -5.192 -11.249 4 HA GLN 1 HA GLN 1 -2.984 -4.584 -13.803 5 1HB GLN 1 2HB GLN 1 -5.285 -3.119 -12.480 6 2HB GLN 1 1HB GLN 1 -4.230 -2.383 -13.688 7 1HG GLN 1 2HG GLN 1 -4.863 -4.068 -15.332 8 2HG GLN 1 1HG GLN 1 -5.827 -4.923 -14.127 9 1HE2 GLN 1 1HE2 GLN 1 -6.020 -1.539 -13.684 10 2HE2 GLN 1 2HE2 GLN 1 -7.503 -1.283 -14.469 11 H CYS 2 H CYS 2 -0.970 -4.155 -12.991 12 HA CYS 2 HA CYS 2 -0.663 -2.941 -10.324 13 1HB CYS 2 2HB CYS 2 0.880 -4.735 -11.242 14 2HB CYS 2 1HB CYS 2 1.495 -3.526 -12.367 15 H TYR 3 H TYR 3 0.967 -1.040 -10.207 16 HA TYR 3 HA TYR 3 0.837 0.780 -12.533 17 1HB TYR 3 2HB TYR 3 -1.262 1.169 -11.203 18 2HB TYR 3 1HB TYR 3 -0.251 1.620 -9.831 19 HD1 TYR 3 1HD TYR 3 -0.635 2.391 -13.485 20 HD2 TYR 3 2HD TYR 3 0.305 3.875 -9.566 21 HE1 TYR 3 1HE TYR 3 -0.420 4.684 -14.405 22 HE2 TYR 3 2HE TYR 3 0.520 6.168 -10.485 23 HH TYR 3 HH TYR 3 -0.537 7.379 -12.667 24 H PHE 4 H PHE 4 2.331 2.582 -12.303 25 HA PHE 4 HA PHE 4 4.452 2.056 -10.256 26 1HB PHE 4 2HB PHE 4 4.507 3.028 -13.096 27 2HB PHE 4 1HB PHE 4 5.772 3.568 -11.993 28 HD1 PHE 4 1HD PHE 4 3.973 0.410 -12.946 29 HD2 PHE 4 2HD PHE 4 7.683 2.245 -11.790 30 HE1 PHE 4 1HE PHE 4 5.135 -1.765 -13.213 31 HE2 PHE 4 2HE PHE 4 8.842 0.070 -12.058 32 HZ PHE 4 HZ PHE 4 7.568 -1.935 -12.769 33 H ILE 5 H ILE 5 5.087 3.734 -8.923 34 HA ILE 5 HA ILE 5 3.713 6.362 -9.312 35 HB ILE 5 HB ILE 5 4.279 4.877 -6.739 36 1HG1 ILE 5 2HG1 ILE 5 2.228 4.349 -8.315 37 2HG1 ILE 5 1HG1 ILE 5 1.978 4.508 -6.579 38 1HG2 ILE 5 1HG2 ILE 5 4.651 7.156 -6.225 39 2HG2 ILE 5 2HG2 ILE 5 2.969 6.881 -5.774 40 3HG2 ILE 5 3HG2 ILE 5 3.353 7.697 -7.289 41 1HD1 ILE 5 1HD1 ILE 5 0.379 5.798 -8.176 42 2HD1 ILE 5 2HD1 ILE 5 1.730 6.911 -8.381 43 3HD1 ILE 5 3HD1 ILE 5 1.036 6.653 -6.782 44 HA PRO 6 HA PRO 6 8.066 7.582 -9.421 45 1HB PRO 6 2HB PRO 6 7.280 10.344 -9.182 46 2HB PRO 6 1HB PRO 6 7.848 9.488 -10.618 47 1HG PRO 6 2HG PRO 6 5.187 10.390 -10.042 48 2HG PRO 6 1HG PRO 6 5.759 9.535 -11.478 49 1HD PRO 6 2HD PRO 6 4.087 8.514 -9.364 50 2HD PRO 6 1HD PRO 6 4.680 7.647 -10.804 51 H ASN 7 H ASN 7 9.365 7.561 -7.636 52 HA ASN 7 HA ASN 7 8.544 7.770 -4.982 53 1HB ASN 7 2HB ASN 7 10.832 7.049 -5.908 54 2HB ASN 7 1HB ASN 7 11.249 8.764 -5.899 55 1HD2 ASN 7 1HD2 ASN 7 12.869 7.579 -4.219 56 2HD2 ASN 7 2HD2 ASN 7 12.362 7.645 -2.601 57 H GLN 8 H GLN 8 7.531 9.457 -4.006 58 HA GLN 8 HA GLN 8 7.848 12.188 -5.019 59 1HB GLN 8 2HB GLN 8 6.407 11.290 -2.508 60 2HB GLN 8 1HB GLN 8 6.166 12.791 -3.400 61 1HG GLN 8 2HG GLN 8 4.509 11.714 -4.512 62 2HG GLN 8 1HG GLN 8 5.784 10.822 -5.340 63 1HE2 GLN 8 1HE2 GLN 8 5.357 8.616 -5.261 64 2HE2 GLN 8 2HE2 GLN 8 4.679 7.797 -3.938 65 H SER 9 H SER 9 9.260 10.221 -2.541 66 HA SER 9 HA SER 9 10.050 12.061 -0.597 67 1HB SER 9 2HB SER 9 10.873 9.999 -0.027 68 2HB SER 9 1HB SER 9 11.194 9.556 -1.702 69 HG SER 9 HG SER 9 12.723 11.209 0.021 70 H LEU 10 H LEU 10 12.448 12.883 -0.399 71 HA LEU 10 HA LEU 10 12.947 14.543 -2.802 72 1HB LEU 10 2HB LEU 10 13.885 14.642 0.065 73 2HB LEU 10 1HB LEU 10 14.652 15.624 -1.183 74 HG LEU 10 HG LEU 10 11.661 15.671 -1.011 75 1HD1 LEU 10 1HD1 LEU 10 11.868 17.551 0.667 76 2HD1 LEU 10 2HD1 LEU 10 13.540 17.049 0.927 77 3HD1 LEU 10 3HD1 LEU 10 12.217 15.949 1.317 78 1HD2 LEU 10 1HD2 LEU 10 11.944 17.875 -1.883 79 2HD2 LEU 10 2HD2 LEU 10 13.127 16.882 -2.736 80 3HD2 LEU 10 3HD2 LEU 10 13.642 17.924 -1.409 81 H LYS 11 H LYS 11 15.249 13.146 -0.480 82 HA LYS 11 HA LYS 11 17.022 12.466 -2.753 83 1HB LYS 11 2HB LYS 11 17.700 12.068 0.157 84 2HB LYS 11 1HB LYS 11 18.786 12.402 -1.192 85 1HG LYS 11 2HG LYS 11 16.795 14.321 0.050 86 2HG LYS 11 1HG LYS 11 18.553 14.428 0.127 87 1HD LYS 11 2HD LYS 11 18.526 14.524 -2.426 88 2HD LYS 11 1HD LYS 11 16.783 14.760 -2.304 89 1HE LYS 11 2HE LYS 11 17.226 16.970 -2.078 90 2HE LYS 11 1HE LYS 11 17.834 16.588 -0.467 91 1HZ LYS 11 1HZ LYS 11 19.537 16.331 -2.869 92 2HZ LYS 11 2HZ LYS 11 20.011 16.448 -1.241 93 3HZ LYS 11 3HZ LYS 11 19.382 17.806 -2.046 94 HA PRO 12 HA PRO 12 15.945 8.159 -2.730 95 1HB PRO 12 2HB PRO 12 18.675 7.263 -2.981 96 2HB PRO 12 1HB PRO 12 17.443 7.386 -4.239 97 1HG PRO 12 2HG PRO 12 19.742 9.081 -3.806 98 2HG PRO 12 1HG PRO 12 18.579 9.123 -5.134 99 1HD PRO 12 2HD PRO 12 18.844 11.031 -3.033 100 2HD PRO 12 1HD PRO 12 17.552 10.957 -4.256 101 H ASN 13 H ASN 13 17.817 6.107 -1.803 102 HA ASN 13 HA ASN 13 18.279 4.954 0.181 103 1HB ASN 13 2HB ASN 13 18.855 7.737 1.239 104 2HB ASN 13 1HB ASN 13 19.440 6.217 1.914 105 1HD2 ASN 13 1HD2 ASN 13 21.446 7.921 1.241 106 2HD2 ASN 13 2HD2 ASN 13 22.193 7.466 -0.215 107 H GLU 14 H GLU 14 15.559 5.623 -0.267 108 HA GLU 14 HA GLU 14 14.481 5.170 2.352 109 1HB GLU 14 2HB GLU 14 13.283 7.256 2.713 110 2HB GLU 14 1HB GLU 14 15.002 7.616 2.554 111 1HG GLU 14 2HG GLU 14 14.516 8.004 0.057 112 2HG GLU 14 1HG GLU 14 12.812 8.026 0.516 113 H CYS 15 H CYS 15 12.017 5.201 2.251 114 HA CYS 15 HA CYS 15 10.960 5.007 -0.524 115 1HB CYS 15 2HB CYS 15 10.670 2.828 1.569 116 2HB CYS 15 1HB CYS 15 9.912 2.834 -0.025 117 H GLN 16 H GLN 16 9.846 6.976 0.101 118 HA GLN 16 HA GLN 16 7.801 6.683 2.247 119 1HB GLN 16 2HB GLN 16 9.319 8.722 2.116 120 2HB GLN 16 1HB GLN 16 8.468 9.158 0.635 121 1HG GLN 16 2HG GLN 16 6.310 9.046 1.940 122 2HG GLN 16 1HG GLN 16 7.278 8.848 3.402 123 1HE2 GLN 16 1HE2 GLN 16 9.205 10.635 3.428 124 2HE2 GLN 16 2HE2 GLN 16 8.679 12.216 3.107 125 H ASP 17 H ASP 17 5.585 6.820 1.771 126 HA ASP 17 HA ASP 17 4.729 7.386 -0.993 127 1HB ASP 17 2HB ASP 17 5.370 4.881 -0.781 128 2HB ASP 17 1HB ASP 17 3.923 4.738 0.217 129 H LEU 18 H LEU 18 2.324 7.528 -1.103 130 HA LEU 18 HA LEU 18 0.381 8.497 -0.190 131 1HB LEU 18 2HB LEU 18 0.741 5.917 0.787 132 2HB LEU 18 1HB LEU 18 0.449 6.849 2.253 133 HG LEU 18 HG LEU 18 -1.319 6.988 -0.207 134 1HD1 LEU 18 1HD1 LEU 18 -2.907 5.671 1.319 135 2HD1 LEU 18 2HD1 LEU 18 -1.483 5.295 2.290 136 3HD1 LEU 18 3HD1 LEU 18 -1.569 4.767 0.610 137 1HD2 LEU 18 1HD2 LEU 18 -1.766 7.870 2.663 138 2HD2 LEU 18 2HD2 LEU 18 -2.879 8.100 1.314 139 3HD2 LEU 18 3HD2 LEU 18 -1.336 8.952 1.339 140 H LYS 19 H LYS 19 -0.124 8.542 2.777 141 HA LYS 19 HA LYS 19 1.811 10.728 3.455 142 1HB LYS 19 2HB LYS 19 -0.852 11.058 3.124 143 2HB LYS 19 1HB LYS 19 -0.835 10.601 4.826 144 1HG LYS 19 2HG LYS 19 -0.564 12.920 4.959 145 2HG LYS 19 1HG LYS 19 1.109 12.363 5.000 146 1HD LYS 19 2HD LYS 19 0.972 12.584 2.387 147 2HD LYS 19 1HD LYS 19 -0.405 13.630 2.728 148 1HE LYS 19 2HE LYS 19 0.989 15.061 4.141 149 2HE LYS 19 1HE LYS 19 2.369 13.987 3.903 150 1HZ LYS 19 1HZ LYS 19 2.389 15.945 2.430 151 2HZ LYS 19 2HZ LYS 19 0.946 15.402 1.715 152 3HZ LYS 19 3HZ LYS 19 2.366 14.480 1.575 153 H GLY 20 H GLY 20 1.066 7.593 4.177 154 1HA GLY 20 2HA GLY 20 1.842 7.928 7.054 155 2HA GLY 20 1HA GLY 20 0.839 6.605 6.465 156 H VAL 21 H VAL 21 2.592 6.349 4.016 157 HA VAL 21 HA VAL 21 4.451 4.439 5.177 158 HB VAL 21 HB VAL 21 4.558 5.422 2.328 159 1HG1 VAL 21 1HG1 VAL 21 6.265 3.819 3.016 160 2HG1 VAL 21 2HG1 VAL 21 5.118 3.022 1.939 161 3HG1 VAL 21 3HG1 VAL 21 5.030 2.748 3.679 162 1HG2 VAL 21 1HG2 VAL 21 2.219 5.052 2.639 163 2HG2 VAL 21 2HG2 VAL 21 2.505 3.630 3.641 164 3HG2 VAL 21 3HG2 VAL 21 2.834 3.570 1.911 165 H SER 22 H SER 22 6.440 4.933 5.953 166 HA SER 22 HA SER 22 8.186 6.819 4.592 167 1HB SER 22 2HB SER 22 7.078 7.552 7.318 168 2HB SER 22 1HB SER 22 8.416 8.375 6.521 169 HG SER 22 HG SER 22 6.349 8.147 4.830 170 H HIS 23 H HIS 23 9.729 5.151 4.616 171 HA HIS 23 HA HIS 23 11.034 4.698 7.229 172 1HB HIS 23 2HB HIS 23 11.121 2.139 6.369 173 2HB HIS 23 1HB HIS 23 9.834 2.735 7.416 174 HD1 HIS 23 1HD HIS 23 10.529 2.511 3.664 175 HD2 HIS 23 2HD HIS 23 7.335 2.310 6.335 176 HE1 HIS 23 1HE HIS 23 8.474 1.977 2.284 177 HA PRO 24 HA PRO 24 14.746 4.997 4.864 178 1HB PRO 24 2HB PRO 24 15.976 2.611 5.913 179 2HB PRO 24 1HB PRO 24 16.280 4.290 6.367 180 1HG PRO 24 2HG PRO 24 14.821 2.257 7.832 181 2HG PRO 24 1HG PRO 24 15.284 3.878 8.358 182 1HD PRO 24 2HD PRO 24 12.659 2.997 7.758 183 2HD PRO 24 1HD PRO 24 13.175 4.685 7.993 184 H LEU 25 H LEU 25 16.375 3.200 3.669 185 HA LEU 25 HA LEU 25 14.923 2.269 1.432 186 1HB LEU 25 2HB LEU 25 17.563 2.528 1.995 187 2HB LEU 25 1HB LEU 25 17.405 0.779 2.141 188 HG LEU 25 HG LEU 25 16.524 2.422 -0.252 189 1HD1 LEU 25 1HD1 LEU 25 18.831 0.475 0.037 190 2HD1 LEU 25 2HD1 LEU 25 19.003 2.231 0.054 191 3HD1 LEU 25 3HD1 LEU 25 18.421 1.416 -1.398 192 1HD2 LEU 25 1HD2 LEU 25 15.118 0.503 -0.112 193 2HD2 LEU 25 2HD2 LEU 25 16.453 -0.530 0.403 194 3HD2 LEU 25 3HD2 LEU 25 16.385 0.061 -1.257 195 H ASN 26 H ASN 26 13.096 1.115 2.319 196 HA ASN 26 HA ASN 26 13.418 -1.210 3.982 197 1HB ASN 26 2HB ASN 26 11.309 0.187 3.725 198 2HB ASN 26 1HB ASN 26 11.075 -0.610 2.169 199 1HD2 ASN 26 1HD2 ASN 26 10.392 -2.830 2.170 200 2HD2 ASN 26 2HD2 ASN 26 9.977 -3.657 3.593 201 H SER 27 H SER 27 14.723 -0.904 1.121 202 HA SER 27 HA SER 27 15.300 -2.387 -0.610 203 1HB SER 27 2HB SER 27 14.293 -4.577 1.210 204 2HB SER 27 1HB SER 27 15.576 -4.667 0.008 205 HG SER 27 HG SER 27 16.083 -4.367 2.396 206 H VAL 28 H VAL 28 14.043 -4.877 -1.264 207 HA VAL 28 HA VAL 28 11.410 -3.863 -2.250 208 HB VAL 28 HB VAL 28 11.756 -5.777 -3.928 209 1HG1 VAL 28 1HG1 VAL 28 13.075 -4.389 -5.374 210 2HG1 VAL 28 2HG1 VAL 28 13.861 -3.606 -4.003 211 3HG1 VAL 28 3HG1 VAL 28 12.159 -3.296 -4.338 212 1HG2 VAL 28 1HG2 VAL 28 14.590 -5.551 -2.877 213 2HG2 VAL 28 2HG2 VAL 28 14.049 -6.561 -4.217 214 3HG2 VAL 28 3HG2 VAL 28 13.518 -6.917 -2.574 215 H TRP 29 H TRP 29 9.573 -5.024 -1.745 216 HA TRP 29 HA TRP 29 9.903 -7.692 -0.446 217 1HB TRP 29 2HB TRP 29 8.260 -7.065 1.276 218 2HB TRP 29 1HB TRP 29 9.662 -5.996 1.341 219 HD1 TRP 29 HD TRP 29 5.958 -6.039 0.643 220 HE1 TRP 29 1HE TRP 29 5.130 -3.630 0.248 221 HE3 TRP 29 3HE TRP 29 10.437 -3.601 0.374 222 HZ2 TRP 29 2HZ TRP 29 6.224 -1.012 -0.132 223 HZ3 TRP 29 3HZ TRP 29 10.514 -1.153 -0.005 224 HH2 TRP 29 HH TRP 29 8.417 0.143 -0.257 225 H LYS 30 H LYS 30 8.394 -9.159 -1.126 226 HA LYS 30 HA LYS 30 5.967 -8.147 -2.536 227 1HB LYS 30 2HB LYS 30 6.358 -10.095 -4.177 228 2HB LYS 30 1HB LYS 30 7.385 -8.675 -4.367 229 1HG LYS 30 2HG LYS 30 8.359 -10.815 -2.523 230 2HG LYS 30 1HG LYS 30 8.399 -11.166 -4.249 231 1HD LYS 30 2HD LYS 30 9.465 -8.527 -3.284 232 2HD LYS 30 1HD LYS 30 10.455 -9.972 -3.087 233 1HE LYS 30 2HE LYS 30 9.195 -9.220 -5.732 234 2HE LYS 30 1HE LYS 30 10.806 -8.678 -5.259 235 1HZ LYS 30 1HZ LYS 30 10.689 -10.794 -6.592 236 2HZ LYS 30 2HZ LYS 30 10.011 -11.530 -5.218 237 3HZ LYS 30 3HZ LYS 30 11.578 -10.877 -5.150 238 H THR 31 H THR 31 4.151 -9.484 -2.291 239 HA THR 31 HA THR 31 4.378 -11.497 -0.130 240 HB THR 31 HB THR 31 1.938 -11.417 -0.088 241 HG1 THR 31 1HG THR 31 1.345 -11.166 -2.153 242 1HG2 THR 31 1HG2 THR 31 3.600 -8.982 0.083 243 2HG2 THR 31 2HG2 THR 31 2.461 -9.654 1.248 244 3HG2 THR 31 3HG2 THR 31 1.873 -8.676 -0.096 245 H LYS 32 H LYS 32 3.086 -13.559 -0.438 246 HA LYS 32 HA LYS 32 3.759 -14.707 -3.082 247 1HB LYS 32 2HB LYS 32 4.041 -15.717 -0.576 248 2HB LYS 32 1HB LYS 32 2.467 -16.390 -0.992 249 1HG LYS 32 2HG LYS 32 3.431 -17.294 -3.097 250 2HG LYS 32 1HG LYS 32 5.011 -16.671 -2.622 251 1HD LYS 32 2HD LYS 32 3.489 -18.480 -0.756 252 2HD LYS 32 1HD LYS 32 4.413 -19.168 -2.089 253 1HE LYS 32 2HE LYS 32 5.514 -17.332 0.062 254 2HE LYS 32 1HE LYS 32 5.789 -19.068 -0.053 255 1HZ LYS 32 1HZ LYS 32 6.777 -18.665 -2.268 256 2HZ LYS 32 2HZ LYS 32 7.644 -17.938 -1.001 257 3HZ LYS 32 3HZ LYS 32 6.642 -16.995 -1.998 258 H ASP 33 H ASP 33 1.084 -13.356 -1.478 259 HA ASP 33 HA ASP 33 -0.679 -13.859 -3.700 260 1HB ASP 33 2HB ASP 33 -0.669 -16.100 -2.467 261 2HB ASP 33 1HB ASP 33 -1.477 -15.263 -1.142 262 H CYS 34 H CYS 34 0.028 -11.489 -2.548 263 HA CYS 34 HA CYS 34 -2.560 -10.553 -1.486 264 1HB CYS 34 2HB CYS 34 0.024 -10.083 0.026 265 2HB CYS 34 1HB CYS 34 -1.556 -9.424 0.446 266 H GLU 35 H GLU 35 0.676 -9.085 -1.419 267 HA GLU 35 HA GLU 35 -0.150 -7.260 -3.623 268 1HB GLU 35 2HB GLU 35 -0.520 -6.324 -1.224 269 2HB GLU 35 1HB GLU 35 1.237 -6.203 -1.161 270 1HG GLU 35 2HG GLU 35 1.134 -4.917 -3.330 271 2HG GLU 35 1HG GLU 35 -0.620 -4.885 -3.151 272 H GLU 36 H GLU 36 1.727 -6.106 -4.555 273 HA GLU 36 HA GLU 36 4.365 -7.378 -3.974 274 1HB GLU 36 2HB GLU 36 3.329 -6.861 -6.775 275 2HB GLU 36 1HB GLU 36 4.808 -7.707 -6.320 276 1HG GLU 36 2HG GLU 36 3.349 -9.397 -5.116 277 2HG GLU 36 1HG GLU 36 1.957 -8.623 -5.873 278 H CYS 37 H CYS 37 5.277 -5.526 -3.079 279 HA CYS 37 HA CYS 37 5.262 -3.077 -4.796 280 1HB CYS 37 2HB CYS 37 5.120 -3.408 -1.811 281 2HB CYS 37 1HB CYS 37 5.738 -1.915 -2.520 282 H THR 38 H THR 38 7.182 -2.157 -5.277 283 HA THR 38 HA THR 38 9.651 -3.267 -3.991 284 HB THR 38 HB THR 38 10.747 -3.282 -6.153 285 HG1 THR 38 1HG THR 38 9.926 -1.642 -7.268 286 1HG2 THR 38 1HG2 THR 38 9.439 -4.986 -7.319 287 2HG2 THR 38 2HG2 THR 38 7.991 -4.509 -6.431 288 3HG2 THR 38 3HG2 THR 38 9.345 -5.252 -5.578 289 H CYS 39 H CYS 39 11.409 -1.725 -3.886 290 HA CYS 39 HA CYS 39 10.486 1.113 -4.146 291 1HB CYS 39 2HB CYS 39 11.171 0.118 -1.853 292 2HB CYS 39 1HB CYS 39 12.821 0.190 -2.471 293 H GLY 40 H GLY 40 11.170 1.590 -6.241 294 1HA GLY 40 2HA GLY 40 13.903 0.872 -7.083 295 2HA GLY 40 1HA GLY 40 12.699 1.701 -8.071 296 H GLN 41 H GLN 41 15.616 2.209 -6.777 297 HA GLN 41 HA GLN 41 15.540 4.588 -5.298 298 1HB GLN 41 2HB GLN 41 17.523 3.755 -7.436 299 2HB GLN 41 1HB GLN 41 17.785 5.069 -6.290 300 1HG GLN 41 2HG GLN 41 17.420 3.411 -4.425 301 2HG GLN 41 1HG GLN 41 17.402 2.134 -5.642 302 1HE2 GLN 41 1HE2 GLN 41 19.452 2.904 -7.368 303 2HE2 GLN 41 2HE2 GLN 41 20.930 2.950 -6.534 304 H ASP 42 H ASP 42 14.432 4.090 -8.471 305 HA ASP 42 HA ASP 42 14.511 7.036 -9.019 306 1HB ASP 42 2HB ASP 42 14.234 4.757 -11.002 307 2HB ASP 42 1HB ASP 42 14.348 6.472 -11.395 308 H ALA 43 H ALA 43 12.507 4.215 -8.620 309 HA ALA 43 HA ALA 43 10.123 5.909 -8.533 310 1HB ALA 43 1HB ALA 43 8.903 4.731 -10.306 311 2HB ALA 43 2HB ALA 43 10.323 3.744 -10.650 312 3HB ALA 43 3HB ALA 43 10.356 5.477 -10.971 313 H ILE 44 H ILE 44 8.243 4.697 -7.745 314 HA ILE 44 HA ILE 44 9.040 2.169 -6.340 315 HB ILE 44 HB ILE 44 7.034 4.322 -5.601 316 1HG1 ILE 44 2HG1 ILE 44 9.419 3.218 -4.087 317 2HG1 ILE 44 1HG1 ILE 44 9.487 4.669 -5.090 318 1HG2 ILE 44 1HG2 ILE 44 5.972 2.265 -5.020 319 2HG2 ILE 44 2HG2 ILE 44 6.733 2.832 -3.535 320 3HG2 ILE 44 3HG2 ILE 44 7.490 1.550 -4.479 321 1HD1 ILE 44 1HD1 ILE 44 7.699 5.692 -3.716 322 2HD1 ILE 44 2HD1 ILE 44 9.103 5.268 -2.733 323 3HD1 ILE 44 3HD1 ILE 44 7.663 4.248 -2.701 324 H SER 45 H SER 45 7.924 0.354 -6.916 325 HA SER 45 HA SER 45 5.505 0.706 -8.646 326 1HB SER 45 2HB SER 45 6.085 -1.273 -9.761 327 2HB SER 45 1HB SER 45 7.659 -0.546 -9.446 328 HG SER 45 HG SER 45 7.435 -1.838 -7.369 329 H CYS 46 H CYS 46 3.621 -0.449 -8.121 330 HA CYS 46 HA CYS 46 3.665 -2.267 -5.794 331 1HB CYS 46 2HB CYS 46 2.479 0.471 -5.787 332 2HB CYS 46 1HB CYS 46 1.549 -0.809 -5.008 333 H CYS 47 H CYS 47 2.148 -3.856 -6.020 334 HA CYS 47 HA CYS 47 -0.033 -3.449 -8.028 335 1HB CYS 47 2HB CYS 47 1.310 -6.123 -7.712 336 2HB CYS 47 1HB CYS 47 0.415 -5.485 -9.090 337 H ASN 48 H ASN 48 -2.017 -4.254 -7.374 338 HA ASN 48 HA ASN 48 -2.073 -5.784 -4.795 339 1HB ASN 48 2HB ASN 48 -4.274 -4.590 -4.388 340 2HB ASN 48 1HB ASN 48 -2.846 -3.557 -4.311 341 1HD2 ASN 48 1HD2 ASN 48 -5.922 -3.782 -5.694 342 2HD2 ASN 48 2HD2 ASN 48 -5.705 -2.686 -6.972 343 H THR 49 H THR 49 -3.480 -7.527 -4.733 344 HA THR 49 HA THR 49 -5.232 -7.974 -7.115 345 HB THR 49 HB THR 49 -4.541 -10.347 -7.134 346 HG1 THR 49 1HG THR 49 -3.898 -10.305 -4.878 347 1HG2 THR 49 1HG2 THR 49 -2.269 -8.351 -7.309 348 2HG2 THR 49 2HG2 THR 49 -3.362 -8.813 -8.613 349 3HG2 THR 49 3HG2 THR 49 -2.217 -9.987 -7.966 350 H ALA 50 H ALA 50 -5.114 -7.571 -3.872 351 HA ALA 50 HA ALA 50 -6.992 -9.715 -3.121 352 1HB ALA 50 1HB ALA 50 -5.206 -8.822 -1.566 353 2HB ALA 50 2HB ALA 50 -6.834 -8.818 -0.888 354 3HB ALA 50 3HB ALA 50 -6.123 -7.318 -1.484 355 H ALA 51 H ALA 51 -9.046 -8.966 -1.907 356 HA ALA 51 HA ALA 51 -10.844 -7.701 -3.607 357 1HB ALA 51 1HB ALA 51 -12.320 -7.471 -1.736 358 2HB ALA 51 2HB ALA 51 -10.974 -7.395 -0.599 359 3HB ALA 51 3HB ALA 51 -11.352 -8.910 -1.418 360 H ILE 52 H ILE 52 -11.949 -5.507 -3.189 361 HA ILE 52 HA ILE 52 -9.952 -3.442 -2.389 362 HB ILE 52 HB ILE 52 -11.771 -3.144 -4.783 363 1HG1 ILE 52 2HG1 ILE 52 -9.521 -3.491 -6.041 364 2HG1 ILE 52 1HG1 ILE 52 -8.980 -4.282 -4.563 365 1HG2 ILE 52 1HG2 ILE 52 -10.192 -1.335 -5.342 366 2HG2 ILE 52 2HG2 ILE 52 -9.261 -1.696 -3.889 367 3HG2 ILE 52 3HG2 ILE 52 -10.907 -1.076 -3.750 368 1HD1 ILE 52 1HD1 ILE 52 -11.574 -5.318 -5.215 369 2HD1 ILE 52 2HD1 ILE 52 -10.031 -6.169 -5.187 370 3HD1 ILE 52 3HD1 ILE 52 -10.572 -5.377 -6.665 371 HA PRO 53 HA PRO 53 -13.486 -2.139 0.052 372 1HB PRO 53 2HB PRO 53 -12.491 0.560 0.187 373 2HB PRO 53 1HB PRO 53 -12.435 -0.690 1.433 374 1HG PRO 53 2HG PRO 53 -10.267 0.325 -0.164 375 2HG PRO 53 1HG PRO 53 -10.205 -0.882 1.123 376 1HD PRO 53 2HD PRO 53 -9.876 -1.320 -1.689 377 2HD PRO 53 1HD PRO 53 -9.921 -2.549 -0.399 378 H THR 54 H THR 54 -15.435 -1.727 -0.903 379 HA THR 54 HA THR 54 -15.557 0.371 -3.040 380 HB THR 54 HB THR 54 -17.288 -0.857 -4.088 381 HG1 THR 54 1HG THR 54 -18.665 -1.526 -2.627 382 1HG2 THR 54 1HG2 THR 54 -16.290 -2.954 -4.558 383 2HG2 THR 54 2HG2 THR 54 -15.593 -3.075 -2.943 384 3HG2 THR 54 3HG2 THR 54 -14.944 -1.912 -4.098 385 H GLY 55 H GLY 55 -18.125 1.026 -3.153 386 1HA GLY 55 2HA GLY 55 -19.753 2.344 -2.094 387 2HA GLY 55 1HA GLY 55 -19.633 1.190 -0.765 388 H TYR 56 H TYR 56 -16.601 2.464 -1.336 389 HA TYR 56 HA TYR 56 -16.785 4.135 1.080 390 1HB TYR 56 2HB TYR 56 -14.764 3.047 1.201 391 2HB TYR 56 1HB TYR 56 -14.617 2.914 -0.549 392 HD1 TYR 56 1HD TYR 56 -12.793 4.066 -1.427 393 HD2 TYR 56 2HD TYR 56 -14.895 5.726 1.932 394 HE1 TYR 56 1HE TYR 56 -11.279 6.030 -1.450 395 HE2 TYR 56 2HE TYR 56 -13.379 7.689 1.909 396 HH TYR 56 HH TYR 56 -11.701 8.684 -0.465 397 H ASP 57 H ASP 57 -17.651 6.134 0.713 398 HA ASP 57 HA ASP 57 -16.358 7.822 -1.372 399 1HB ASP 57 2HB ASP 57 -18.493 6.950 -2.318 400 2HB ASP 57 1HB ASP 57 -19.358 7.651 -0.949 401 H THR 58 H THR 58 -15.374 9.260 0.003 402 HA THR 58 HA THR 58 -17.140 10.697 1.945 403 HB THR 58 HB THR 58 -15.357 10.737 3.574 404 HG1 THR 58 1HG THR 58 -13.903 9.906 1.378 405 1HG2 THR 58 1HG2 THR 58 -15.704 7.969 2.392 406 2HG2 THR 58 2HG2 THR 58 -16.737 8.723 3.607 407 3HG2 THR 58 3HG2 THR 58 -15.070 8.301 4.003 408 H ASN 59 H ASN 59 -13.891 11.614 2.071 409 HA ASN 59 HA ASN 59 -14.503 14.036 0.446 410 1HB ASN 59 2HB ASN 59 -13.642 14.094 2.901 411 2HB ASN 59 1HB ASN 59 -12.077 13.675 2.203 412 1HD2 ASN 59 1HD2 ASN 59 -13.497 16.316 3.335 413 2HD2 ASN 59 2HD2 ASN 59 -12.990 17.485 2.214 414 H LYS 60 H LYS 60 -11.610 12.005 1.077 415 HA LYS 60 HA LYS 60 -11.172 11.429 -1.703 416 1HB LYS 60 2HB LYS 60 -9.048 12.867 -1.879 417 2HB LYS 60 1HB LYS 60 -10.590 13.710 -2.030 418 1HG LYS 60 2HG LYS 60 -10.491 14.425 0.287 419 2HG LYS 60 1HG LYS 60 -9.040 13.459 0.562 420 1HD LYS 60 2HD LYS 60 -7.820 14.822 -1.101 421 2HD LYS 60 1HD LYS 60 -9.266 15.801 -1.354 422 1HE LYS 60 2HE LYS 60 -7.897 15.467 1.329 423 2HE LYS 60 1HE LYS 60 -7.627 16.833 0.246 424 1HZ LYS 60 1HZ LYS 60 -9.311 17.302 1.939 425 2HZ LYS 60 2HZ LYS 60 -10.265 16.025 1.348 426 3HZ LYS 60 3HZ LYS 60 -9.954 17.381 0.371 427 H CYS 61 H CYS 61 -10.972 10.333 1.135 428 HA CYS 61 HA CYS 61 -8.317 9.805 1.898 429 1HB CYS 61 2HB CYS 61 -10.114 7.455 2.041 430 2HB CYS 61 1HB CYS 61 -9.237 8.279 3.329 431 H GLN 62 H GLN 62 -7.338 7.454 1.631 432 HA GLN 62 HA GLN 62 -7.559 6.648 -1.247 433 1HB GLN 62 2HB GLN 62 -5.513 7.938 -1.023 434 2HB GLN 62 1HB GLN 62 -5.037 7.010 0.401 435 1HG GLN 62 2HG GLN 62 -4.684 5.034 -0.874 436 2HG GLN 62 1HG GLN 62 -5.536 5.690 -2.272 437 1HE2 GLN 62 1HE2 GLN 62 -3.699 8.181 -0.952 438 2HE2 GLN 62 2HE2 GLN 62 -2.320 8.036 -1.932 439 H LYS 63 H LYS 63 -6.810 4.397 -1.616 440 HA LYS 63 HA LYS 63 -7.341 2.694 0.788 441 1HB LYS 63 2HB LYS 63 -7.852 0.924 -0.972 442 2HB LYS 63 1HB LYS 63 -8.987 2.273 -0.905 443 1HG LYS 63 2HG LYS 63 -7.850 3.362 -2.780 444 2HG LYS 63 1HG LYS 63 -6.648 2.072 -2.824 445 1HD LYS 63 2HD LYS 63 -8.438 0.431 -3.309 446 2HD LYS 63 1HD LYS 63 -9.624 1.736 -3.304 447 1HE LYS 63 2HE LYS 63 -7.250 1.506 -5.178 448 2HE LYS 63 1HE LYS 63 -8.936 1.212 -5.606 449 1HZ LYS 63 1HZ LYS 63 -8.871 3.367 -6.177 450 2HZ LYS 63 2HZ LYS 63 -7.539 3.717 -5.183 451 3HZ LYS 63 3HZ LYS 63 -9.101 3.637 -4.518 452 H ILE 64 H ILE 64 -5.811 1.176 1.373 453 HA ILE 64 HA ILE 64 -3.477 0.770 -0.438 454 HB ILE 64 HB ILE 64 -3.118 2.535 1.438 455 1HG1 ILE 64 2HG1 ILE 64 -1.282 0.130 1.199 456 2HG1 ILE 64 1HG1 ILE 64 -1.299 1.521 0.114 457 1HG2 ILE 64 1HG2 ILE 64 -2.695 0.066 3.123 458 2HG2 ILE 64 2HG2 ILE 64 -4.224 0.944 3.144 459 3HG2 ILE 64 3HG2 ILE 64 -2.738 1.753 3.639 460 1HD1 ILE 64 1HD1 ILE 64 -0.584 1.501 3.057 461 2HD1 ILE 64 2HD1 ILE 64 -0.830 2.980 2.127 462 3HD1 ILE 64 3HD1 ILE 64 0.479 1.877 1.701 463 H LEU 65 H LEU 65 -2.204 -1.177 0.203 464 HA LEU 65 HA LEU 65 -3.960 -3.206 1.528 465 1HB LEU 65 2HB LEU 65 -3.197 -3.329 -1.032 466 2HB LEU 65 1HB LEU 65 -1.744 -4.020 -0.315 467 HG LEU 65 HG LEU 65 -4.520 -5.018 0.367 468 1HD1 LEU 65 1HD1 LEU 65 -4.383 -5.450 -1.951 469 2HD1 LEU 65 2HD1 LEU 65 -3.813 -6.943 -1.206 470 3HD1 LEU 65 3HD1 LEU 65 -2.656 -5.793 -1.875 471 1HD2 LEU 65 1HD2 LEU 65 -2.841 -5.656 1.981 472 2HD2 LEU 65 2HD2 LEU 65 -1.707 -6.099 0.707 473 3HD2 LEU 65 3HD2 LEU 65 -3.156 -7.066 0.972 474 H ASN 66 H ASN 66 -3.202 -3.614 3.540 475 HA ASN 66 HA ASN 66 -0.405 -3.125 4.236 476 1HB ASN 66 2HB ASN 66 -2.837 -4.100 5.723 477 2HB ASN 66 1HB ASN 66 -1.238 -4.236 6.453 478 1HD2 ASN 66 1HD2 ASN 66 -1.748 -2.592 8.077 479 2HD2 ASN 66 2HD2 ASN 66 -1.866 -0.951 7.661 480 H LYS 67 H LYS 67 1.197 -4.652 4.388 481 HA LYS 67 HA LYS 67 0.537 -7.377 3.430 482 1HB LYS 67 2HB LYS 67 2.418 -6.282 2.348 483 2HB LYS 67 1HB LYS 67 3.174 -5.947 3.904 484 1HG LYS 67 2HG LYS 67 2.536 -8.804 3.400 485 2HG LYS 67 1HG LYS 67 3.779 -8.118 2.359 486 1HD LYS 67 2HD LYS 67 3.913 -7.621 5.323 487 2HD LYS 67 1HD LYS 67 4.458 -9.168 4.677 488 1HE LYS 67 2HE LYS 67 5.413 -6.544 3.528 489 2HE LYS 67 1HE LYS 67 6.229 -7.316 4.886 490 1HZ LYS 67 1HZ LYS 67 6.461 -9.321 3.524 491 2HZ LYS 67 2HZ LYS 67 7.246 -7.986 2.828 492 3HZ LYS 67 3HZ LYS 67 5.753 -8.513 2.212 493 H LYS 68 H LYS 68 0.844 -5.792 6.377 494 HA LYS 68 HA LYS 68 2.302 -7.605 7.982 495 1HB LYS 68 2HB LYS 68 -0.109 -5.881 8.602 496 2HB LYS 68 1HB LYS 68 0.738 -6.815 9.835 497 1HG LYS 68 2HG LYS 68 2.756 -5.595 9.527 498 2HG LYS 68 1HG LYS 68 2.188 -4.890 8.012 499 1HD LYS 68 2HD LYS 68 0.565 -3.534 9.157 500 2HD LYS 68 1HD LYS 68 0.850 -4.379 10.679 501 1HE LYS 68 2HE LYS 68 1.998 -2.061 10.287 502 2HE LYS 68 1HE LYS 68 2.940 -3.372 10.998 503 1HZ LYS 68 1HZ LYS 68 3.901 -3.862 8.895 504 2HZ LYS 68 2HZ LYS 68 4.062 -2.189 9.146 505 3HZ LYS 68 3HZ LYS 68 2.867 -2.782 8.092 506 H THR 69 H THR 69 -1.194 -7.556 7.266 507 HA THR 69 HA THR 69 -1.233 -10.507 7.766 508 HB THR 69 HB THR 69 -3.548 -10.171 8.714 509 HG1 THR 69 1HG THR 69 -2.689 -7.484 8.516 510 1HG2 THR 69 1HG2 THR 69 -1.130 -8.951 10.054 511 2HG2 THR 69 2HG2 THR 69 -1.805 -10.565 10.287 512 3HG2 THR 69 3HG2 THR 69 -2.670 -9.151 10.893 513 H CYS 70 H CYS 70 -1.093 -8.804 5.285 514 HA CYS 70 HA CYS 70 -2.136 -8.684 3.177 515 1HB CYS 70 2HB CYS 70 -3.061 -11.357 4.251 516 2HB CYS 70 1HB CYS 70 -3.464 -10.810 2.624 517 H THR 71 H THR 71 -3.449 -6.837 4.042 518 HA THR 71 HA THR 71 -6.329 -7.477 3.785 519 HB THR 71 HB THR 71 -6.573 -7.500 6.053 520 HG1 THR 71 1HG THR 71 -7.517 -5.641 6.173 521 1HG2 THR 71 1HG2 THR 71 -3.918 -6.057 6.125 522 2HG2 THR 71 2HG2 THR 71 -4.247 -7.733 6.557 523 3HG2 THR 71 3HG2 THR 71 -4.846 -6.426 7.579 524 H TYR 72 H TYR 72 -7.624 -5.341 3.815 525 HA TYR 72 HA TYR 72 -6.031 -3.264 2.367 526 1HB TYR 72 2HB TYR 72 -8.566 -4.556 1.822 527 2HB TYR 72 1HB TYR 72 -8.799 -2.814 1.961 528 HD1 TYR 72 1HD TYR 72 -7.200 -1.284 0.636 529 HD2 TYR 72 2HD TYR 72 -7.636 -5.486 -0.136 530 HE1 TYR 72 1HE TYR 72 -6.225 -0.970 -1.621 531 HE2 TYR 72 2HE TYR 72 -6.662 -5.172 -2.395 532 HH TYR 72 HH TYR 72 -5.911 -3.707 -3.884 533 H THR 73 H THR 73 -6.181 -1.114 3.042 534 HA THR 73 HA THR 73 -8.031 -0.478 5.283 535 HB THR 73 HB THR 73 -6.408 -0.122 6.836 536 HG1 THR 73 1HG THR 73 -5.044 1.410 6.449 537 1HG2 THR 73 1HG2 THR 73 -5.724 -2.325 5.921 538 2HG2 THR 73 2HG2 THR 73 -4.348 -1.414 6.541 539 3HG2 THR 73 3HG2 THR 73 -4.632 -1.504 4.803 540 H VAL 74 H VAL 74 -8.591 1.734 5.356 541 HA VAL 74 HA VAL 74 -7.658 3.339 3.004 542 HB VAL 74 HB VAL 74 -10.196 3.842 4.557 543 1HG1 VAL 74 1HG1 VAL 74 -10.857 5.032 2.603 544 2HG1 VAL 74 2HG1 VAL 74 -9.576 4.303 1.633 545 3HG1 VAL 74 3HG1 VAL 74 -9.175 5.490 2.875 546 1HG2 VAL 74 1HG2 VAL 74 -10.324 1.512 3.856 547 2HG2 VAL 74 2HG2 VAL 74 -9.763 1.933 2.238 548 3HG2 VAL 74 3HG2 VAL 74 -11.346 2.478 2.791 549 H VAL 75 H VAL 75 -6.323 4.979 3.558 550 HA VAL 75 HA VAL 75 -6.527 6.111 6.323 551 HB VAL 75 HB VAL 75 -4.182 6.962 5.814 552 1HG1 VAL 75 1HG1 VAL 75 -4.772 3.990 5.836 553 2HG1 VAL 75 2HG1 VAL 75 -4.454 5.026 7.227 554 3HG1 VAL 75 3HG1 VAL 75 -3.161 4.663 6.084 555 1HG2 VAL 75 1HG2 VAL 75 -4.437 6.732 3.326 556 2HG2 VAL 75 2HG2 VAL 75 -4.409 4.980 3.528 557 3HG2 VAL 75 3HG2 VAL 75 -2.993 5.940 3.955 558 H GLU 76 H GLU 76 -5.920 8.512 6.395 559 HA GLU 76 HA GLU 76 -7.235 9.903 4.092 560 1HB GLU 76 2HB GLU 76 -7.116 10.457 7.047 561 2HB GLU 76 1HB GLU 76 -7.409 11.780 5.918 562 1HG GLU 76 2HG GLU 76 -9.334 10.576 4.981 563 2HG GLU 76 1HG GLU 76 -9.033 9.222 6.070 564 H LYS 77 H LYS 77 -6.146 11.554 3.068 565 HA LYS 77 HA LYS 77 -3.295 11.648 3.226 566 1HB LYS 77 2HB LYS 77 -5.222 13.684 2.065 567 2HB LYS 77 1HB LYS 77 -3.492 13.616 1.738 568 1HG LYS 77 2HG LYS 77 -5.226 11.197 1.258 569 2HG LYS 77 1HG LYS 77 -5.135 12.479 0.052 570 1HD LYS 77 2HD LYS 77 -2.607 12.251 0.150 571 2HD LYS 77 1HD LYS 77 -2.853 10.801 1.126 572 1HE LYS 77 2HE LYS 77 -2.626 10.079 -1.156 573 2HE LYS 77 1HE LYS 77 -4.331 9.923 -0.734 574 1HZ LYS 77 1HZ LYS 77 -4.112 12.478 -1.639 575 2HZ LYS 77 2HZ LYS 77 -4.713 11.158 -2.525 576 3HZ LYS 77 3HZ LYS 77 -3.084 11.616 -2.678 577 H LYS 78 H LYS 78 -5.624 13.006 5.282 578 HA LYS 78 HA LYS 78 -3.682 15.088 6.223 579 1HB LYS 78 2HB LYS 78 -6.097 15.706 5.437 580 2HB LYS 78 1HB LYS 78 -6.597 15.030 6.988 581 1HG LYS 78 2HG LYS 78 -4.884 16.556 8.081 582 2HG LYS 78 1HG LYS 78 -4.699 17.340 6.512 583 1HD LYS 78 2HD LYS 78 -7.092 17.889 6.481 584 2HD LYS 78 1HD LYS 78 -7.312 17.065 8.026 585 1HE LYS 78 2HE LYS 78 -7.034 19.620 8.111 586 2HE LYS 78 1HE LYS 78 -6.010 18.675 9.192 587 1HZ LYS 78 1HZ LYS 78 -5.000 20.522 7.675 588 2HZ LYS 78 2HZ LYS 78 -5.023 19.294 6.501 589 3HZ LYS 78 3HZ LYS 78 -4.157 19.076 7.947 590 H ASP 79 H ASP 79 -4.711 12.023 6.922 591 HA ASP 79 HA ASP 79 -3.769 12.264 9.705 592 1HB ASP 79 2HB ASP 79 -6.308 12.652 9.658 593 2HB ASP 79 1HB ASP 79 -6.444 10.956 9.191 594 HA PRO 80 HA PRO 80 -2.577 8.398 7.375 595 1HB PRO 80 2HB PRO 80 0.031 8.674 8.567 596 2HB PRO 80 1HB PRO 80 -0.419 8.848 6.869 597 1HG PRO 80 2HG PRO 80 0.376 10.911 8.662 598 2HG PRO 80 1HG PRO 80 -0.191 11.096 7.000 599 1HD PRO 80 2HD PRO 80 -1.586 11.744 9.476 600 2HD PRO 80 1HD PRO 80 -2.081 12.094 7.801 601 H GLY 81 H GLY 81 -3.786 8.828 10.135 602 1HA GLY 81 2HA GLY 81 -2.669 6.348 11.374 603 2HA GLY 81 1HA GLY 81 -2.961 7.776 12.370 604 H LYS 82 H LYS 82 -5.387 8.564 10.950 605 HA LYS 82 HA LYS 82 -7.233 6.621 12.222 606 1HB LYS 82 2HB LYS 82 -7.643 9.397 11.075 607 2HB LYS 82 1HB LYS 82 -8.951 8.406 11.720 608 1HG LYS 82 2HG LYS 82 -6.513 8.836 13.416 609 2HG LYS 82 1HG LYS 82 -7.678 10.150 13.272 610 1HD LYS 82 2HD LYS 82 -8.693 7.388 13.873 611 2HD LYS 82 1HD LYS 82 -7.948 8.319 15.172 612 1HE LYS 82 2HE LYS 82 -10.209 9.340 13.427 613 2HE LYS 82 1HE LYS 82 -10.428 8.642 15.032 614 1HZ LYS 82 1HZ LYS 82 -10.024 10.643 15.855 615 2HZ LYS 82 2HZ LYS 82 -9.634 11.264 14.323 616 3HZ LYS 82 3HZ LYS 82 -8.433 10.535 15.278 617 H THR 83 H THR 83 -8.810 5.492 11.036 618 HA THR 83 HA THR 83 -8.260 5.266 8.144 619 HB THR 83 HB THR 83 -9.839 3.343 8.264 620 HG1 THR 83 1HG THR 83 -11.213 3.575 9.841 621 1HG2 THR 83 1HG2 THR 83 -8.374 1.904 9.490 622 2HG2 THR 83 2HG2 THR 83 -7.833 3.228 10.523 623 3HG2 THR 83 3HG2 THR 83 -7.361 3.185 8.824 624 H CYS 84 H CYS 84 -9.835 5.678 6.531 625 HA CYS 84 HA CYS 84 -11.770 7.747 7.222 626 1HB CYS 84 2HB CYS 84 -10.462 6.829 4.852 627 2HB CYS 84 1HB CYS 84 -12.199 6.734 4.566 628 H ASP 85 H ASP 85 -14.001 7.242 5.748 629 HA ASP 85 HA ASP 85 -15.317 5.172 7.345 630 1HB ASP 85 2HB ASP 85 -16.356 7.404 6.691 631 2HB ASP 85 1HB ASP 85 -16.507 6.756 5.058 632 H VAL 86 H VAL 86 -16.140 3.216 6.566 633 HA VAL 86 HA VAL 86 -15.495 2.517 3.728 634 HB VAL 86 HB VAL 86 -15.226 0.594 6.043 635 1HG1 VAL 86 1HG1 VAL 86 -14.255 0.611 3.171 636 2HG1 VAL 86 2HG1 VAL 86 -15.488 -0.444 3.859 637 3HG1 VAL 86 3HG1 VAL 86 -13.807 -0.609 4.363 638 1HG2 VAL 86 1HG2 VAL 86 -12.731 0.988 5.710 639 2HG2 VAL 86 2HG2 VAL 86 -13.605 2.306 6.491 640 3HG2 VAL 86 3HG2 VAL 86 -13.168 2.426 4.787 641 H THR 87 H THR 87 -16.828 0.674 2.933 642 HA THR 87 HA THR 87 -19.449 0.487 4.373 643 HB THR 87 HB THR 87 -19.126 0.339 1.372 644 HG1 THR 87 1HG THR 87 -18.886 2.474 2.982 645 1HG2 THR 87 1HG2 THR 87 -21.191 -0.584 2.332 646 2HG2 THR 87 2HG2 THR 87 -21.534 0.898 1.438 647 3HG2 THR 87 3HG2 THR 87 -21.472 0.926 3.202 648 H GLY 88 H GLY 88 -17.096 -1.135 2.284 649 1HA GLY 88 2HA GLY 88 -17.266 -3.650 3.491 650 2HA GLY 88 1HA GLY 88 -18.501 -3.663 2.230 651 H TRP 89 H TRP 89 -16.337 -5.405 2.061 652 HA TRP 89 HA TRP 89 -14.594 -4.177 -0.042 653 1HB TRP 89 2HB TRP 89 -14.122 -6.768 1.454 654 2HB TRP 89 1HB TRP 89 -12.970 -5.879 0.457 655 HD1 TRP 89 HD TRP 89 -11.696 -3.891 1.532 656 HE1 TRP 89 1HE TRP 89 -11.591 -2.916 3.917 657 HE3 TRP 89 3HE TRP 89 -15.626 -6.355 3.666 658 HZ2 TRP 89 2HZ TRP 89 -12.989 -3.151 6.401 659 HZ3 TRP 89 3HZ TRP 89 -16.218 -5.961 6.040 660 HH2 TRP 89 HH TRP 89 -14.905 -4.364 7.409 661 H VAL 90 H VAL 90 -14.311 -5.340 -2.019 662 HA VAL 90 HA VAL 90 -16.115 -7.668 -2.466 663 HB VAL 90 HB VAL 90 -15.994 -5.250 -4.288 664 1HG1 VAL 90 1HG1 VAL 90 -17.938 -6.429 -5.372 665 2HG1 VAL 90 2HG1 VAL 90 -17.601 -7.819 -4.341 666 3HG1 VAL 90 3HG1 VAL 90 -16.406 -7.290 -5.526 667 1HG2 VAL 90 1HG2 VAL 90 -17.225 -4.647 -2.300 668 2HG2 VAL 90 2HG2 VAL 90 -18.082 -6.189 -2.302 669 3HG2 VAL 90 3HG2 VAL 90 -18.408 -4.999 -3.560 670 H LEU 91 H LEU 91 -15.370 -9.071 -4.115 671 HA LEU 91 HA LEU 91 -12.523 -9.033 -4.588 672 1HB LEU 91 2HB LEU 91 -14.761 -10.697 -5.771 673 2HB LEU 91 1HB LEU 91 -13.056 -10.969 -6.130 674 HG LEU 91 HG LEU 91 -13.894 -10.799 -3.253 675 1HD1 LEU 91 1HD1 LEU 91 -14.293 -13.297 -3.330 676 2HD1 LEU 91 2HD1 LEU 91 -14.357 -13.164 -5.088 677 3HD1 LEU 91 3HD1 LEU 91 -15.552 -12.327 -4.096 678 1HD2 LEU 91 1HD2 LEU 91 -11.501 -11.011 -3.973 679 2HD2 LEU 91 2HD2 LEU 91 -11.902 -12.553 -4.727 680 3HD2 LEU 91 3HD2 LEU 91 -12.041 -12.364 -2.980 Start of MODEL 17 1 1H GLN 1 1HT GLN 1 -4.222 -5.505 -12.736 2 2H GLN 1 2HT GLN 1 -2.920 -6.134 -11.843 3 3H GLN 1 3HT GLN 1 -3.414 -6.894 -13.281 4 HA GLN 1 HA GLN 1 -1.680 -5.755 -14.135 5 1HB GLN 1 2HB GLN 1 -4.080 -4.719 -14.788 6 2HB GLN 1 1HB GLN 1 -3.355 -3.282 -14.066 7 1HG GLN 1 2HG GLN 1 -2.233 -4.930 -16.352 8 2HG GLN 1 1HG GLN 1 -2.851 -3.280 -16.440 9 1HE2 GLN 1 1HE2 GLN 1 -1.409 -1.580 -15.916 10 2HE2 GLN 1 2HE2 GLN 1 0.176 -1.827 -15.360 11 H CYS 2 H CYS 2 0.180 -4.953 -13.291 12 HA CYS 2 HA CYS 2 0.143 -3.516 -10.749 13 1HB CYS 2 2HB CYS 2 1.919 -5.206 -11.593 14 2HB CYS 2 1HB CYS 2 2.564 -3.851 -12.519 15 H TYR 3 H TYR 3 1.588 -1.461 -10.610 16 HA TYR 3 HA TYR 3 1.442 0.239 -13.026 17 1HB TYR 3 2HB TYR 3 0.330 2.049 -11.518 18 2HB TYR 3 1HB TYR 3 -0.693 0.785 -12.199 19 HD1 TYR 3 1HD TYR 3 1.035 1.953 -9.142 20 HD2 TYR 3 2HD TYR 3 -1.687 -0.921 -10.808 21 HE1 TYR 3 1HE TYR 3 0.379 1.249 -6.856 22 HE2 TYR 3 2HE TYR 3 -2.344 -1.625 -8.523 23 HH TYR 3 HH TYR 3 -0.667 -1.137 -5.898 24 H PHE 4 H PHE 4 2.707 2.214 -12.776 25 HA PHE 4 HA PHE 4 4.763 1.983 -10.608 26 1HB PHE 4 2HB PHE 4 4.855 2.915 -13.465 27 2HB PHE 4 1HB PHE 4 6.008 3.579 -12.309 28 HD1 PHE 4 1HD PHE 4 4.581 0.276 -13.382 29 HD2 PHE 4 2HD PHE 4 8.008 2.428 -11.940 30 HE1 PHE 4 1HE PHE 4 5.956 -1.780 -13.578 31 HE2 PHE 4 2HE PHE 4 9.382 0.373 -12.135 32 HZ PHE 4 HZ PHE 4 8.355 -1.730 -12.954 33 H ILE 5 H ILE 5 5.160 3.782 -9.318 34 HA ILE 5 HA ILE 5 3.595 6.255 -9.913 35 HB ILE 5 HB ILE 5 3.970 5.099 -7.146 36 1HG1 ILE 5 2HG1 ILE 5 1.617 4.885 -9.051 37 2HG1 ILE 5 1HG1 ILE 5 2.594 3.551 -8.436 38 1HG2 ILE 5 1HG2 ILE 5 3.549 7.592 -7.499 39 2HG2 ILE 5 2HG2 ILE 5 2.380 6.757 -6.476 40 3HG2 ILE 5 3HG2 ILE 5 1.973 7.139 -8.149 41 1HD1 ILE 5 1HD1 ILE 5 0.642 3.571 -7.072 42 2HD1 ILE 5 2HD1 ILE 5 0.690 5.325 -6.899 43 3HD1 ILE 5 3HD1 ILE 5 1.898 4.326 -6.091 44 HA PRO 6 HA PRO 6 7.749 7.917 -9.423 45 1HB PRO 6 2HB PRO 6 6.681 10.559 -9.007 46 2HB PRO 6 1HB PRO 6 7.440 9.902 -10.460 47 1HG PRO 6 2HG PRO 6 4.661 10.492 -10.028 48 2HG PRO 6 1HG PRO 6 5.428 9.862 -11.490 49 1HD PRO 6 2HD PRO 6 3.703 8.457 -9.669 50 2HD PRO 6 1HD PRO 6 4.524 7.809 -11.111 51 H ASN 7 H ASN 7 9.041 8.417 -7.630 52 HA ASN 7 HA ASN 7 8.141 7.939 -5.021 53 1HB ASN 7 2HB ASN 7 10.517 7.973 -5.550 54 2HB ASN 7 1HB ASN 7 10.439 9.691 -5.942 55 1HD2 ASN 7 1HD2 ASN 7 8.792 8.123 -3.181 56 2HD2 ASN 7 2HD2 ASN 7 9.663 8.952 -1.984 57 H GLN 8 H GLN 8 7.748 9.434 -3.228 58 HA GLN 8 HA GLN 8 6.855 12.160 -4.079 59 1HB GLN 8 2HB GLN 8 5.318 10.605 -2.010 60 2HB GLN 8 1HB GLN 8 4.778 11.943 -3.024 61 1HG GLN 8 2HG GLN 8 3.748 10.081 -4.025 62 2HG GLN 8 1HG GLN 8 5.194 10.308 -5.010 63 1HE2 GLN 8 1HE2 GLN 8 4.076 7.752 -4.972 64 2HE2 GLN 8 2HE2 GLN 8 5.056 6.702 -4.067 65 H SER 9 H SER 9 8.789 10.333 -2.073 66 HA SER 9 HA SER 9 8.590 11.534 0.467 67 1HB SER 9 2HB SER 9 11.197 10.826 -0.901 68 2HB SER 9 1HB SER 9 10.870 10.851 0.829 69 HG SER 9 HG SER 9 10.103 8.910 0.649 70 H LEU 10 H LEU 10 10.129 13.197 1.386 71 HA LEU 10 HA LEU 10 10.137 15.563 -0.370 72 1HB LEU 10 2HB LEU 10 11.049 15.330 2.510 73 2HB LEU 10 1HB LEU 10 10.660 16.814 1.638 74 HG LEU 10 HG LEU 10 8.681 14.576 2.155 75 1HD1 LEU 10 1HD1 LEU 10 9.473 15.757 4.232 76 2HD1 LEU 10 2HD1 LEU 10 7.754 15.974 3.900 77 3HD1 LEU 10 3HD1 LEU 10 8.893 17.268 3.530 78 1HD2 LEU 10 1HD2 LEU 10 7.904 15.769 0.282 79 2HD2 LEU 10 2HD2 LEU 10 8.544 17.303 0.873 80 3HD2 LEU 10 3HD2 LEU 10 7.111 16.599 1.620 81 H LYS 11 H LYS 11 12.589 14.407 1.939 82 HA LYS 11 HA LYS 11 14.714 15.485 0.250 83 1HB LYS 11 2HB LYS 11 14.677 13.990 2.876 84 2HB LYS 11 1HB LYS 11 16.183 14.405 2.059 85 1HG LYS 11 2HG LYS 11 15.520 16.791 2.065 86 2HG LYS 11 1HG LYS 11 14.036 16.367 2.918 87 1HD LYS 11 2HD LYS 11 15.343 15.488 4.801 88 2HD LYS 11 1HD LYS 11 16.842 15.855 3.948 89 1HE LYS 11 2HE LYS 11 16.149 17.592 5.656 90 2HE LYS 11 1HE LYS 11 16.402 18.219 4.027 91 1HZ LYS 11 1HZ LYS 11 14.327 18.992 5.132 92 2HZ LYS 11 2HZ LYS 11 13.752 17.394 5.071 93 3HZ LYS 11 3HZ LYS 11 14.080 18.238 3.633 94 HA PRO 12 HA PRO 12 15.507 11.858 -2.179 95 1HB PRO 12 2HB PRO 12 18.367 12.015 -1.878 96 2HB PRO 12 1HB PRO 12 17.384 12.524 -3.253 97 1HG PRO 12 2HG PRO 12 18.708 14.174 -1.282 98 2HG PRO 12 1HG PRO 12 17.839 14.678 -2.734 99 1HD PRO 12 2HD PRO 12 16.989 15.018 -0.038 100 2HD PRO 12 1HD PRO 12 16.027 15.319 -1.508 101 H ASN 13 H ASN 13 17.109 9.810 -2.039 102 HA ASN 13 HA ASN 13 17.632 7.862 -0.846 103 1HB ASN 13 2HB ASN 13 19.252 9.581 0.169 104 2HB ASN 13 1HB ASN 13 18.124 9.675 1.522 105 1HD2 ASN 13 1HD2 ASN 13 18.596 8.234 3.180 106 2HD2 ASN 13 2HD2 ASN 13 19.405 6.755 2.991 107 H GLU 14 H GLU 14 14.901 8.466 -0.946 108 HA GLU 14 HA GLU 14 14.009 7.272 1.624 109 1HB GLU 14 2HB GLU 14 13.012 9.845 0.407 110 2HB GLU 14 1HB GLU 14 11.967 8.867 1.440 111 1HG GLU 14 2HG GLU 14 13.660 8.947 3.229 112 2HG GLU 14 1HG GLU 14 14.699 9.933 2.200 113 H CYS 15 H CYS 15 11.624 6.592 1.382 114 HA CYS 15 HA CYS 15 10.686 6.097 -1.343 115 1HB CYS 15 2HB CYS 15 12.513 4.326 -0.747 116 2HB CYS 15 1HB CYS 15 11.268 3.634 0.293 117 H GLN 16 H GLN 16 9.192 7.468 0.215 118 HA GLN 16 HA GLN 16 7.480 5.688 1.877 119 1HB GLN 16 2HB GLN 16 6.613 7.691 2.869 120 2HB GLN 16 1HB GLN 16 8.358 7.913 2.751 121 1HG GLN 16 2HG GLN 16 7.621 9.933 1.871 122 2HG GLN 16 1HG GLN 16 7.749 8.971 0.398 123 1HE2 GLN 16 1HE2 GLN 16 5.364 9.966 2.902 124 2HE2 GLN 16 2HE2 GLN 16 4.019 9.879 1.870 125 H ASP 17 H ASP 17 5.185 5.653 1.538 126 HA ASP 17 HA ASP 17 4.287 6.655 -1.138 127 1HB ASP 17 2HB ASP 17 3.652 3.980 0.152 128 2HB ASP 17 1HB ASP 17 2.890 4.594 -1.314 129 H LEU 18 H LEU 18 2.535 7.960 -0.931 130 HA LEU 18 HA LEU 18 0.674 9.013 0.033 131 1HB LEU 18 2HB LEU 18 0.249 6.483 1.630 132 2HB LEU 18 1HB LEU 18 -0.961 7.618 1.034 133 HG LEU 18 HG LEU 18 0.715 5.704 -0.609 134 1HD1 LEU 18 1HD1 LEU 18 -1.553 4.902 -1.301 135 2HD1 LEU 18 2HD1 LEU 18 -2.263 6.011 -0.130 136 3HD1 LEU 18 3HD1 LEU 18 -1.242 4.685 0.420 137 1HD2 LEU 18 1HD2 LEU 18 0.621 7.708 -1.903 138 2HD2 LEU 18 2HD2 LEU 18 -1.044 8.030 -1.420 139 3HD2 LEU 18 3HD2 LEU 18 -0.687 6.698 -2.520 140 H LYS 19 H LYS 19 -0.172 8.136 2.863 141 HA LYS 19 HA LYS 19 2.009 9.604 4.303 142 1HB LYS 19 2HB LYS 19 -0.900 9.940 4.233 143 2HB LYS 19 1HB LYS 19 -0.292 9.776 5.880 144 1HG LYS 19 2HG LYS 19 0.996 11.648 3.887 145 2HG LYS 19 1HG LYS 19 -0.359 12.153 4.897 146 1HD LYS 19 2HD LYS 19 0.889 12.134 6.830 147 2HD LYS 19 1HD LYS 19 1.899 10.793 6.292 148 1HE LYS 19 2HE LYS 19 2.081 13.535 5.037 149 2HE LYS 19 1HE LYS 19 3.038 13.084 6.448 150 1HZ LYS 19 1HZ LYS 19 3.694 11.065 5.054 151 2HZ LYS 19 2HZ LYS 19 4.396 12.561 4.660 152 3HZ LYS 19 3HZ LYS 19 3.117 11.946 3.725 153 H GLY 20 H GLY 20 0.592 6.597 3.947 154 1HA GLY 20 2HA GLY 20 0.783 5.816 6.782 155 2HA GLY 20 1HA GLY 20 0.296 4.770 5.451 156 H VAL 21 H VAL 21 2.386 4.818 3.728 157 HA VAL 21 HA VAL 21 4.396 3.290 5.178 158 HB VAL 21 HB VAL 21 4.445 4.207 2.296 159 1HG1 VAL 21 1HG1 VAL 21 5.794 2.042 2.106 160 2HG1 VAL 21 2HG1 VAL 21 5.886 2.063 3.866 161 3HG1 VAL 21 3HG1 VAL 21 6.592 3.380 2.931 162 1HG2 VAL 21 1HG2 VAL 21 3.376 2.071 1.772 163 2HG2 VAL 21 2HG2 VAL 21 2.357 2.972 2.891 164 3HG2 VAL 21 3HG2 VAL 21 3.348 1.639 3.480 165 H SER 22 H SER 22 6.725 3.773 5.058 166 HA SER 22 HA SER 22 7.825 6.252 4.247 167 1HB SER 22 2HB SER 22 6.634 7.494 5.833 168 2HB SER 22 1HB SER 22 6.660 6.190 7.016 169 HG SER 22 HG SER 22 8.354 8.226 6.733 170 H HIS 23 H HIS 23 9.604 4.924 3.729 171 HA HIS 23 HA HIS 23 11.323 4.219 6.024 172 1HB HIS 23 2HB HIS 23 10.199 2.226 4.057 173 2HB HIS 23 1HB HIS 23 11.731 1.926 4.873 174 HD1 HIS 23 1HD HIS 23 8.380 1.034 5.260 175 HD2 HIS 23 2HD HIS 23 11.178 2.616 7.915 176 HE1 HIS 23 1HE HIS 23 7.541 0.497 7.588 177 HA PRO 24 HA PRO 24 14.496 5.723 3.322 178 1HB PRO 24 2HB PRO 24 16.367 3.624 3.949 179 2HB PRO 24 1HB PRO 24 16.328 5.276 4.571 180 1HG PRO 24 2HG PRO 24 15.597 2.825 5.925 181 2HG PRO 24 1HG PRO 24 15.702 4.460 6.586 182 1HD PRO 24 2HD PRO 24 13.326 2.970 6.115 183 2HD PRO 24 1HD PRO 24 13.432 4.694 6.547 184 H LEU 25 H LEU 25 16.066 4.848 1.533 185 HA LEU 25 HA LEU 25 14.521 3.305 -0.329 186 1HB LEU 25 2HB LEU 25 16.908 4.887 -0.379 187 2HB LEU 25 1HB LEU 25 17.290 3.320 -1.091 188 HG LEU 25 HG LEU 25 14.841 4.905 -1.901 189 1HD1 LEU 25 1HD1 LEU 25 16.228 5.565 -3.901 190 2HD1 LEU 25 2HD1 LEU 25 17.647 4.963 -3.045 191 3HD1 LEU 25 3HD1 LEU 25 16.734 6.324 -2.393 192 1HD2 LEU 25 1HD2 LEU 25 16.441 2.793 -3.377 193 2HD2 LEU 25 2HD2 LEU 25 14.863 3.443 -3.824 194 3HD2 LEU 25 3HD2 LEU 25 15.024 2.423 -2.394 195 H ASN 26 H ASN 26 16.304 1.525 -1.495 196 HA ASN 26 HA ASN 26 16.855 -0.752 -1.298 197 1HB ASN 26 2HB ASN 26 18.782 0.536 -0.150 198 2HB ASN 26 1HB ASN 26 18.051 0.013 1.368 199 1HD2 ASN 26 1HD2 ASN 26 18.881 -1.934 2.122 200 2HD2 ASN 26 2HD2 ASN 26 19.524 -3.167 1.147 201 H SER 27 H SER 27 14.401 -0.979 -0.870 202 HA SER 27 HA SER 27 14.079 -2.696 1.477 203 1HB SER 27 2HB SER 27 13.662 -0.329 2.311 204 2HB SER 27 1HB SER 27 12.272 -0.278 1.233 205 HG SER 27 HG SER 27 12.036 -1.048 3.546 206 H VAL 28 H VAL 28 13.491 -4.325 0.007 207 HA VAL 28 HA VAL 28 11.061 -3.821 -1.658 208 HB VAL 28 HB VAL 28 11.876 -6.028 -2.742 209 1HG1 VAL 28 1HG1 VAL 28 12.102 -3.669 -3.680 210 2HG1 VAL 28 2HG1 VAL 28 13.297 -4.827 -4.255 211 3HG1 VAL 28 3HG1 VAL 28 13.732 -3.654 -3.013 212 1HG2 VAL 28 1HG2 VAL 28 14.451 -5.167 -1.402 213 2HG2 VAL 28 2HG2 VAL 28 14.208 -6.577 -2.435 214 3HG2 VAL 28 3HG2 VAL 28 13.460 -6.514 -0.839 215 H TRP 29 H TRP 29 9.231 -5.051 -1.244 216 HA TRP 29 HA TRP 29 9.453 -7.449 0.474 217 1HB TRP 29 2HB TRP 29 7.833 -6.635 2.107 218 2HB TRP 29 1HB TRP 29 9.199 -5.521 2.042 219 HD1 TRP 29 HD TRP 29 5.519 -5.828 1.123 220 HE1 TRP 29 1HE TRP 29 4.609 -3.494 0.516 221 HE3 TRP 29 3HE TRP 29 9.875 -3.162 1.103 222 HZ2 TRP 29 2HZ TRP 29 5.598 -0.845 0.077 223 HZ3 TRP 29 3HZ TRP 29 9.862 -0.737 0.588 224 HH2 TRP 29 HH TRP 29 7.732 0.423 0.076 225 H LYS 30 H LYS 30 7.977 -8.958 -0.151 226 HA LYS 30 HA LYS 30 5.642 -8.050 -1.794 227 1HB LYS 30 2HB LYS 30 6.983 -10.702 -2.278 228 2HB LYS 30 1HB LYS 30 5.995 -9.739 -3.375 229 1HG LYS 30 2HG LYS 30 8.061 -9.229 -4.256 230 2HG LYS 30 1HG LYS 30 8.005 -7.988 -3.006 231 1HD LYS 30 2HD LYS 30 9.092 -9.784 -1.474 232 2HD LYS 30 1HD LYS 30 9.473 -10.623 -2.976 233 1HE LYS 30 2HE LYS 30 10.350 -7.849 -2.143 234 2HE LYS 30 1HE LYS 30 11.372 -9.250 -2.463 235 1HZ LYS 30 1HZ LYS 30 9.588 -8.163 -4.546 236 2HZ LYS 30 2HZ LYS 30 10.974 -9.127 -4.729 237 3HZ LYS 30 3HZ LYS 30 11.123 -7.494 -4.284 238 H THR 31 H THR 31 3.730 -8.760 -0.968 239 HA THR 31 HA THR 31 3.700 -10.471 1.381 240 HB THR 31 HB THR 31 1.331 -10.111 1.398 241 HG1 THR 31 1HG THR 31 1.347 -8.924 -1.126 242 1HG2 THR 31 1HG2 THR 31 2.374 -7.603 0.088 243 2HG2 THR 31 2HG2 THR 31 2.922 -8.094 1.691 244 3HG2 THR 31 3HG2 THR 31 1.215 -7.752 1.409 245 H LYS 32 H LYS 32 1.059 -11.651 0.149 246 HA LYS 32 HA LYS 32 2.260 -13.706 -1.627 247 1HB LYS 32 2HB LYS 32 2.490 -14.606 0.659 248 2HB LYS 32 1HB LYS 32 0.766 -14.358 0.934 249 1HG LYS 32 2HG LYS 32 0.175 -16.198 -0.277 250 2HG LYS 32 1HG LYS 32 1.392 -15.896 -1.515 251 1HD LYS 32 2HD LYS 32 2.041 -16.972 1.244 252 2HD LYS 32 1HD LYS 32 1.778 -17.997 -0.165 253 1HE LYS 32 2HE LYS 32 4.028 -17.764 -0.469 254 2HE LYS 32 1HE LYS 32 3.603 -16.196 -1.151 255 1HZ LYS 32 1HZ LYS 32 5.319 -16.393 0.785 256 2HZ LYS 32 2HZ LYS 32 3.924 -16.430 1.754 257 3HZ LYS 32 3HZ LYS 32 4.221 -15.102 0.737 258 H ASP 33 H ASP 33 0.940 -13.263 -3.361 259 HA ASP 33 HA ASP 33 -1.026 -13.146 -4.631 260 1HB ASP 33 2HB ASP 33 -1.286 -15.414 -3.413 261 2HB ASP 33 1HB ASP 33 -2.414 -14.565 -2.355 262 H CYS 34 H CYS 34 -0.600 -11.560 -1.778 263 HA CYS 34 HA CYS 34 -3.303 -10.340 -1.707 264 1HB CYS 34 2HB CYS 34 -1.658 -11.001 0.333 265 2HB CYS 34 1HB CYS 34 -1.130 -9.340 0.070 266 H GLU 35 H GLU 35 0.015 -9.033 -1.576 267 HA GLU 35 HA GLU 35 -0.495 -7.275 -3.854 268 1HB GLU 35 2HB GLU 35 -1.622 -5.891 -2.295 269 2HB GLU 35 1HB GLU 35 -0.443 -6.216 -1.025 270 1HG GLU 35 2HG GLU 35 1.224 -4.885 -2.105 271 2HG GLU 35 1HG GLU 35 0.286 -4.797 -3.596 272 H GLU 36 H GLU 36 1.474 -5.915 -4.301 273 HA GLU 36 HA GLU 36 3.942 -6.927 -2.968 274 1HB GLU 36 2HB GLU 36 3.527 -6.778 -5.972 275 2HB GLU 36 1HB GLU 36 5.020 -7.242 -5.157 276 1HG GLU 36 2HG GLU 36 3.824 -9.145 -4.095 277 2HG GLU 36 1HG GLU 36 2.368 -8.703 -4.988 278 H CYS 37 H CYS 37 5.746 -5.439 -3.185 279 HA CYS 37 HA CYS 37 5.349 -2.904 -4.570 280 1HB CYS 37 2HB CYS 37 5.029 -3.136 -1.597 281 2HB CYS 37 1HB CYS 37 5.744 -1.674 -2.275 282 H THR 38 H THR 38 7.317 -2.321 -5.283 283 HA THR 38 HA THR 38 9.717 -3.074 -3.656 284 HB THR 38 HB THR 38 10.902 -3.626 -5.655 285 HG1 THR 38 1HG THR 38 8.883 -2.127 -6.794 286 1HG2 THR 38 1HG2 THR 38 8.077 -4.677 -5.958 287 2HG2 THR 38 2HG2 THR 38 9.304 -5.356 -4.888 288 3HG2 THR 38 3HG2 THR 38 9.531 -5.409 -6.636 289 H CYS 39 H CYS 39 11.544 -1.580 -3.948 290 HA CYS 39 HA CYS 39 10.617 1.169 -4.691 291 1HB CYS 39 2HB CYS 39 11.370 0.679 -2.294 292 2HB CYS 39 1HB CYS 39 12.994 0.482 -2.952 293 H GLY 40 H GLY 40 11.305 1.589 -6.747 294 1HA GLY 40 2HA GLY 40 13.799 0.419 -7.765 295 2HA GLY 40 1HA GLY 40 12.692 1.453 -8.671 296 H GLN 41 H GLN 41 14.930 2.390 -9.271 297 HA GLN 41 HA GLN 41 16.554 3.817 -7.477 298 1HB GLN 41 2HB GLN 41 15.816 4.337 -10.361 299 2HB GLN 41 1HB GLN 41 16.964 5.360 -9.496 300 1HG GLN 41 2HG GLN 41 17.252 2.352 -9.619 301 2HG GLN 41 1HG GLN 41 17.976 3.422 -10.820 302 1HE2 GLN 41 1HE2 GLN 41 18.820 1.779 -8.108 303 2HE2 GLN 41 2HE2 GLN 41 19.994 2.828 -7.471 304 H ASP 42 H ASP 42 14.572 5.750 -9.659 305 HA ASP 42 HA ASP 42 13.776 7.430 -7.315 306 1HB ASP 42 2HB ASP 42 13.355 9.178 -9.120 307 2HB ASP 42 1HB ASP 42 15.043 8.722 -8.884 308 H ALA 43 H ALA 43 12.349 4.988 -8.125 309 HA ALA 43 HA ALA 43 9.680 6.213 -8.437 310 1HB ALA 43 1HB ALA 43 10.726 4.109 -10.358 311 2HB ALA 43 2HB ALA 43 10.349 5.784 -10.764 312 3HB ALA 43 3HB ALA 43 9.059 4.680 -10.285 313 H ILE 44 H ILE 44 7.987 4.317 -8.338 314 HA ILE 44 HA ILE 44 8.983 2.080 -6.645 315 HB ILE 44 HB ILE 44 6.548 3.714 -5.894 316 1HG1 ILE 44 2HG1 ILE 44 9.398 3.897 -4.866 317 2HG1 ILE 44 1HG1 ILE 44 8.492 5.169 -5.685 318 1HG2 ILE 44 1HG2 ILE 44 6.843 1.282 -5.154 319 2HG2 ILE 44 2HG2 ILE 44 6.611 2.461 -3.863 320 3HG2 ILE 44 3HG2 ILE 44 8.226 1.841 -4.212 321 1HD1 ILE 44 1HD1 ILE 44 6.779 4.962 -3.792 322 2HD1 ILE 44 2HD1 ILE 44 8.331 5.681 -3.364 323 3HD1 ILE 44 3HD1 ILE 44 7.992 4.003 -2.942 324 H SER 45 H SER 45 8.038 0.185 -7.245 325 HA SER 45 HA SER 45 5.666 0.337 -9.065 326 1HB SER 45 2HB SER 45 7.582 -0.686 -10.144 327 2HB SER 45 1HB SER 45 7.838 -1.758 -8.770 328 HG SER 45 HG SER 45 5.488 -1.679 -10.367 329 H CYS 46 H CYS 46 3.783 -0.358 -8.194 330 HA CYS 46 HA CYS 46 3.898 -2.427 -6.034 331 1HB CYS 46 2HB CYS 46 2.436 0.198 -6.100 332 2HB CYS 46 1HB CYS 46 1.746 -1.159 -5.207 333 H CYS 47 H CYS 47 2.489 -4.090 -6.292 334 HA CYS 47 HA CYS 47 0.457 -3.854 -8.486 335 1HB CYS 47 2HB CYS 47 1.731 -6.471 -7.714 336 2HB CYS 47 1HB CYS 47 0.972 -6.014 -9.238 337 H ASN 48 H ASN 48 -1.587 -4.123 -7.756 338 HA ASN 48 HA ASN 48 -1.977 -5.500 -5.124 339 1HB ASN 48 2HB ASN 48 -4.023 -4.200 -4.908 340 2HB ASN 48 1HB ASN 48 -2.690 -3.103 -5.274 341 1HD2 ASN 48 1HD2 ASN 48 -2.789 -4.293 -8.168 342 2HD2 ASN 48 2HD2 ASN 48 -4.061 -3.433 -8.892 343 H THR 49 H THR 49 -3.797 -6.951 -4.938 344 HA THR 49 HA THR 49 -5.101 -7.792 -7.467 345 HB THR 49 HB THR 49 -4.368 -10.020 -7.380 346 HG1 THR 49 1HG THR 49 -3.135 -9.728 -4.889 347 1HG2 THR 49 1HG2 THR 49 -2.526 -8.438 -7.968 348 2HG2 THR 49 2HG2 THR 49 -1.940 -9.939 -7.253 349 3HG2 THR 49 3HG2 THR 49 -2.009 -8.469 -6.282 350 H ALA 50 H ALA 50 -4.859 -8.004 -3.945 351 HA ALA 50 HA ALA 50 -7.226 -9.500 -3.454 352 1HB ALA 50 1HB ALA 50 -7.233 -8.175 -1.248 353 2HB ALA 50 2HB ALA 50 -5.784 -7.380 -1.855 354 3HB ALA 50 3HB ALA 50 -5.789 -9.122 -1.597 355 H ALA 51 H ALA 51 -9.324 -8.604 -2.640 356 HA ALA 51 HA ALA 51 -10.594 -6.921 -4.486 357 1HB ALA 51 1HB ALA 51 -11.700 -8.368 -2.717 358 2HB ALA 51 2HB ALA 51 -12.416 -6.768 -2.922 359 3HB ALA 51 3HB ALA 51 -11.346 -7.089 -1.557 360 H ILE 52 H ILE 52 -11.566 -4.700 -3.936 361 HA ILE 52 HA ILE 52 -9.548 -3.019 -2.503 362 HB ILE 52 HB ILE 52 -11.145 -1.995 -4.844 363 1HG1 ILE 52 2HG1 ILE 52 -9.926 -4.112 -5.527 364 2HG1 ILE 52 1HG1 ILE 52 -9.431 -2.664 -6.397 365 1HG2 ILE 52 1HG2 ILE 52 -9.075 -0.563 -5.065 366 2HG2 ILE 52 2HG2 ILE 52 -8.499 -1.274 -3.559 367 3HG2 ILE 52 3HG2 ILE 52 -9.982 -0.319 -3.574 368 1HD1 ILE 52 1HD1 ILE 52 -7.528 -4.134 -5.583 369 2HD1 ILE 52 2HD1 ILE 52 -7.978 -3.674 -3.943 370 3HD1 ILE 52 3HD1 ILE 52 -7.436 -2.446 -5.084 371 HA PRO 53 HA PRO 53 -13.170 -1.898 -0.112 372 1HB PRO 53 2HB PRO 53 -12.041 0.664 0.564 373 2HB PRO 53 1HB PRO 53 -12.147 -0.784 1.568 374 1HG PRO 53 2HG PRO 53 -9.814 0.345 0.319 375 2HG PRO 53 1HG PRO 53 -9.913 -1.067 1.374 376 1HD PRO 53 2HD PRO 53 -9.400 -1.035 -1.445 377 2HD PRO 53 1HD PRO 53 -9.610 -2.462 -0.400 378 H THR 54 H THR 54 -15.028 -1.174 -1.073 379 HA THR 54 HA THR 54 -14.950 1.431 -2.539 380 HB THR 54 HB THR 54 -15.928 0.573 -4.441 381 HG1 THR 54 1HG THR 54 -17.787 -0.189 -3.544 382 1HG2 THR 54 1HG2 THR 54 -14.883 -2.076 -3.456 383 2HG2 THR 54 2HG2 THR 54 -13.786 -0.751 -3.846 384 3HG2 THR 54 3HG2 THR 54 -14.842 -1.417 -5.091 385 H GLY 55 H GLY 55 -17.470 1.942 -3.061 386 1HA GLY 55 2HA GLY 55 -19.626 2.338 -2.191 387 2HA GLY 55 1HA GLY 55 -19.338 1.054 -1.017 388 H TYR 56 H TYR 56 -16.746 2.488 -0.247 389 HA TYR 56 HA TYR 56 -17.936 4.072 1.886 390 1HB TYR 56 2HB TYR 56 -15.827 4.076 2.848 391 2HB TYR 56 1HB TYR 56 -15.711 2.635 1.841 392 HD1 TYR 56 1HD TYR 56 -14.581 2.771 -0.403 393 HD2 TYR 56 2HD TYR 56 -14.492 6.007 2.420 394 HE1 TYR 56 1HE TYR 56 -12.674 3.782 -1.623 395 HE2 TYR 56 2HE TYR 56 -12.586 7.019 1.200 396 HH TYR 56 HH TYR 56 -10.851 5.321 -1.230 397 H ASP 57 H ASP 57 -18.284 6.248 1.870 398 HA ASP 57 HA ASP 57 -18.180 7.833 -0.435 399 1HB ASP 57 2HB ASP 57 -19.316 8.375 1.785 400 2HB ASP 57 1HB ASP 57 -17.741 8.932 2.351 401 H THR 58 H THR 58 -16.348 8.090 -1.644 402 HA THR 58 HA THR 58 -13.730 8.403 -0.301 403 HB THR 58 HB THR 58 -13.488 7.027 -2.174 404 HG1 THR 58 1HG THR 58 -13.145 9.387 -3.608 405 1HG2 THR 58 1HG2 THR 58 -14.575 7.665 -4.396 406 2HG2 THR 58 2HG2 THR 58 -15.487 8.871 -3.490 407 3HG2 THR 58 3HG2 THR 58 -15.675 7.158 -3.114 408 H ASN 59 H ASN 59 -13.829 10.490 0.609 409 HA ASN 59 HA ASN 59 -14.243 12.751 -1.313 410 1HB ASN 59 2HB ASN 59 -14.576 12.543 1.685 411 2HB ASN 59 1HB ASN 59 -14.488 14.098 0.857 412 1HD2 ASN 59 1HD2 ASN 59 -16.773 14.515 1.451 413 2HD2 ASN 59 2HD2 ASN 59 -18.029 13.737 0.617 414 H LYS 60 H LYS 60 -12.135 11.507 1.264 415 HA LYS 60 HA LYS 60 -9.807 12.717 0.013 416 1HB LYS 60 2HB LYS 60 -10.949 14.621 1.304 417 2HB LYS 60 1HB LYS 60 -10.496 13.749 2.768 418 1HG LYS 60 2HG LYS 60 -8.134 13.827 2.121 419 2HG LYS 60 1HG LYS 60 -8.558 14.626 0.608 420 1HD LYS 60 2HD LYS 60 -7.986 16.461 1.920 421 2HD LYS 60 1HD LYS 60 -9.723 16.378 2.211 422 1HE LYS 60 2HE LYS 60 -9.291 15.038 4.262 423 2HE LYS 60 1HE LYS 60 -7.558 15.209 3.984 424 1HZ LYS 60 1HZ LYS 60 -7.574 17.276 4.769 425 2HZ LYS 60 2HZ LYS 60 -9.113 16.925 5.397 426 3HZ LYS 60 3HZ LYS 60 -8.963 17.706 3.895 427 H CYS 61 H CYS 61 -9.865 10.172 0.326 428 HA CYS 61 HA CYS 61 -8.147 9.613 2.684 429 1HB CYS 61 2HB CYS 61 -10.733 8.194 2.018 430 2HB CYS 61 1HB CYS 61 -9.471 7.434 2.989 431 H GLN 62 H GLN 62 -7.398 7.173 2.428 432 HA GLN 62 HA GLN 62 -7.006 6.516 -0.455 433 1HB GLN 62 2HB GLN 62 -4.529 5.964 0.445 434 2HB GLN 62 1HB GLN 62 -4.956 7.546 -0.208 435 1HG GLN 62 2HG GLN 62 -5.212 8.496 1.941 436 2HG GLN 62 1HG GLN 62 -5.296 6.919 2.722 437 1HE2 GLN 62 1HE2 GLN 62 -3.145 5.530 2.151 438 2HE2 GLN 62 2HE2 GLN 62 -1.695 6.386 2.368 439 H LYS 63 H LYS 63 -5.820 4.306 -0.580 440 HA LYS 63 HA LYS 63 -6.926 2.510 1.548 441 1HB LYS 63 2HB LYS 63 -7.034 0.781 -0.244 442 2HB LYS 63 1HB LYS 63 -8.052 2.177 -0.595 443 1HG LYS 63 2HG LYS 63 -6.180 3.123 -1.973 444 2HG LYS 63 1HG LYS 63 -5.296 1.618 -1.724 445 1HD LYS 63 2HD LYS 63 -6.922 0.344 -2.908 446 2HD LYS 63 1HD LYS 63 -8.091 1.665 -2.872 447 1HE LYS 63 2HE LYS 63 -6.805 2.968 -4.416 448 2HE LYS 63 1HE LYS 63 -5.418 1.887 -4.272 449 1HZ LYS 63 1HZ LYS 63 -6.898 0.104 -5.175 450 2HZ LYS 63 2HZ LYS 63 -6.515 1.342 -6.274 451 3HZ LYS 63 3HZ LYS 63 -8.040 1.308 -5.526 452 H ILE 64 H ILE 64 -5.577 0.783 2.240 453 HA ILE 64 HA ILE 64 -2.836 0.635 1.125 454 HB ILE 64 HB ILE 64 -3.563 1.792 3.756 455 1HG1 ILE 64 2HG1 ILE 64 -0.986 1.870 2.158 456 2HG1 ILE 64 1HG1 ILE 64 -2.349 2.949 1.865 457 1HG2 ILE 64 1HG2 ILE 64 -1.381 -0.292 3.477 458 2HG2 ILE 64 2HG2 ILE 64 -2.699 -0.260 4.650 459 3HG2 ILE 64 3HG2 ILE 64 -1.392 0.917 4.760 460 1HD1 ILE 64 1HD1 ILE 64 -0.279 3.168 3.856 461 2HD1 ILE 64 2HD1 ILE 64 -1.844 3.037 4.659 462 3HD1 ILE 64 3HD1 ILE 64 -1.564 4.312 3.474 463 H LEU 65 H LEU 65 -2.005 -1.427 1.261 464 HA LEU 65 HA LEU 65 -3.810 -3.520 2.285 465 1HB LEU 65 2HB LEU 65 -2.213 -3.344 0.062 466 2HB LEU 65 1HB LEU 65 -1.175 -4.266 1.140 467 HG LEU 65 HG LEU 65 -2.596 -5.716 -0.266 468 1HD1 LEU 65 1HD1 LEU 65 -1.977 -6.803 1.699 469 2HD1 LEU 65 2HD1 LEU 65 -3.733 -6.945 1.737 470 3HD1 LEU 65 3HD1 LEU 65 -2.926 -5.726 2.717 471 1HD2 LEU 65 1HD2 LEU 65 -4.850 -5.506 -0.461 472 2HD2 LEU 65 2HD2 LEU 65 -4.564 -3.860 0.097 473 3HD2 LEU 65 3HD2 LEU 65 -5.068 -5.104 1.240 474 H ASN 66 H ASN 66 -3.585 -4.058 4.410 475 HA ASN 66 HA ASN 66 -1.068 -3.580 5.832 476 1HB ASN 66 2HB ASN 66 -3.814 -4.537 6.557 477 2HB ASN 66 1HB ASN 66 -2.484 -4.959 7.636 478 1HD2 ASN 66 1HD2 ASN 66 -1.675 -3.318 9.006 479 2HD2 ASN 66 2HD2 ASN 66 -2.200 -1.704 8.961 480 H LYS 67 H LYS 67 0.518 -4.964 5.085 481 HA LYS 67 HA LYS 67 0.099 -7.666 4.281 482 1HB LYS 67 2HB LYS 67 2.737 -6.947 5.476 483 2HB LYS 67 1HB LYS 67 2.376 -7.743 3.947 484 1HG LYS 67 2HG LYS 67 3.085 -5.677 3.167 485 2HG LYS 67 1HG LYS 67 1.358 -5.367 3.326 486 1HD LYS 67 2HD LYS 67 2.199 -3.537 4.478 487 2HD LYS 67 1HD LYS 67 2.052 -4.687 5.807 488 1HE LYS 67 2HE LYS 67 4.250 -3.732 5.964 489 2HE LYS 67 1HE LYS 67 4.454 -5.367 5.338 490 1HZ LYS 67 1HZ LYS 67 5.586 -4.395 3.703 491 2HZ LYS 67 2HZ LYS 67 5.004 -2.845 4.083 492 3HZ LYS 67 3HZ LYS 67 4.085 -3.885 3.102 493 H LYS 68 H LYS 68 -0.358 -6.421 7.303 494 HA LYS 68 HA LYS 68 0.942 -8.246 9.041 495 1HB LYS 68 2HB LYS 68 -0.457 -6.171 9.655 496 2HB LYS 68 1HB LYS 68 -1.869 -7.215 9.481 497 1HG LYS 68 2HG LYS 68 -1.422 -7.495 11.745 498 2HG LYS 68 1HG LYS 68 -0.483 -8.824 11.067 499 1HD LYS 68 2HD LYS 68 1.128 -7.847 12.420 500 2HD LYS 68 1HD LYS 68 1.416 -6.962 10.922 501 1HE LYS 68 2HE LYS 68 1.296 -5.343 12.708 502 2HE LYS 68 1HE LYS 68 -0.185 -5.195 11.761 503 1HZ LYS 68 1HZ LYS 68 0.200 -6.404 14.419 504 2HZ LYS 68 2HZ LYS 68 -1.103 -6.887 13.442 505 3HZ LYS 68 3HZ LYS 68 -0.953 -5.264 13.921 506 H THR 69 H THR 69 -2.372 -8.400 7.732 507 HA THR 69 HA THR 69 -2.165 -11.385 7.787 508 HB THR 69 HB THR 69 -4.669 -11.328 8.345 509 HG1 THR 69 1HG THR 69 -3.978 -8.669 8.432 510 1HG2 THR 69 1HG2 THR 69 -4.173 -10.834 10.806 511 2HG2 THR 69 2HG2 THR 69 -2.535 -10.439 10.289 512 3HG2 THR 69 3HG2 THR 69 -3.170 -12.065 10.041 513 H CYS 70 H CYS 70 -1.768 -9.437 5.608 514 HA CYS 70 HA CYS 70 -2.492 -9.054 3.403 515 1HB CYS 70 2HB CYS 70 -2.106 -11.386 3.066 516 2HB CYS 70 1HB CYS 70 -3.546 -11.831 3.982 517 H THR 71 H THR 71 -3.918 -7.358 4.482 518 HA THR 71 HA THR 71 -6.753 -7.913 3.754 519 HB THR 71 HB THR 71 -7.625 -7.305 5.821 520 HG1 THR 71 1HG THR 71 -5.317 -5.769 5.925 521 1HG2 THR 71 1HG2 THR 71 -6.195 -9.376 6.001 522 2HG2 THR 71 2HG2 THR 71 -6.436 -8.527 7.528 523 3HG2 THR 71 3HG2 THR 71 -4.912 -8.358 6.655 524 H TYR 72 H TYR 72 -8.011 -5.768 3.736 525 HA TYR 72 HA TYR 72 -6.212 -3.635 2.654 526 1HB TYR 72 2HB TYR 72 -8.641 -4.840 1.679 527 2HB TYR 72 1HB TYR 72 -8.936 -3.128 1.972 528 HD1 TYR 72 1HD TYR 72 -7.798 -5.426 -0.414 529 HD2 TYR 72 2HD TYR 72 -6.888 -1.548 1.196 530 HE1 TYR 72 1HE TYR 72 -6.574 -4.851 -2.492 531 HE2 TYR 72 2HE TYR 72 -5.661 -0.976 -0.882 532 HH TYR 72 HH TYR 72 -4.522 -3.032 -2.971 533 H THR 73 H THR 73 -6.460 -1.518 3.397 534 HA THR 73 HA THR 73 -8.493 -1.018 5.516 535 HB THR 73 HB THR 73 -6.849 -0.085 7.016 536 HG1 THR 73 1HG THR 73 -4.565 -0.736 5.900 537 1HG2 THR 73 1HG2 THR 73 -7.149 -2.638 6.831 538 2HG2 THR 73 2HG2 THR 73 -5.715 -2.054 7.676 539 3HG2 THR 73 3HG2 THR 73 -5.586 -2.634 6.015 540 H VAL 74 H VAL 74 -8.488 1.424 6.043 541 HA VAL 74 HA VAL 74 -7.729 3.030 3.639 542 HB VAL 74 HB VAL 74 -10.324 3.522 5.084 543 1HG1 VAL 74 1HG1 VAL 74 -9.527 3.918 2.189 544 2HG1 VAL 74 2HG1 VAL 74 -9.313 5.153 3.430 545 3HG1 VAL 74 3HG1 VAL 74 -10.932 4.592 3.014 546 1HG2 VAL 74 1HG2 VAL 74 -9.811 1.530 2.855 547 2HG2 VAL 74 2HG2 VAL 74 -11.413 2.118 3.299 548 3HG2 VAL 74 3HG2 VAL 74 -10.466 1.184 4.456 549 H VAL 75 H VAL 75 -6.324 4.525 4.375 550 HA VAL 75 HA VAL 75 -6.762 5.683 7.101 551 HB VAL 75 HB VAL 75 -4.275 6.480 6.561 552 1HG1 VAL 75 1HG1 VAL 75 -4.832 5.103 8.471 553 2HG1 VAL 75 2HG1 VAL 75 -3.479 4.345 7.632 554 3HG1 VAL 75 3HG1 VAL 75 -5.109 3.702 7.437 555 1HG2 VAL 75 1HG2 VAL 75 -4.379 3.844 5.087 556 2HG2 VAL 75 2HG2 VAL 75 -3.061 5.014 5.142 557 3HG2 VAL 75 3HG2 VAL 75 -4.528 5.381 4.236 558 H GLU 76 H GLU 76 -5.926 8.058 7.186 559 HA GLU 76 HA GLU 76 -7.020 9.476 4.787 560 1HB GLU 76 2HB GLU 76 -8.110 9.743 7.113 561 2HB GLU 76 1HB GLU 76 -6.675 10.678 7.535 562 1HG GLU 76 2HG GLU 76 -7.103 12.148 5.559 563 2HG GLU 76 1HG GLU 76 -8.600 11.262 5.266 564 H LYS 77 H LYS 77 -5.822 11.146 3.867 565 HA LYS 77 HA LYS 77 -2.964 11.020 4.126 566 1HB LYS 77 2HB LYS 77 -4.866 12.914 2.749 567 2HB LYS 77 1HB LYS 77 -3.134 13.237 2.774 568 1HG LYS 77 2HG LYS 77 -4.083 10.508 1.958 569 2HG LYS 77 1HG LYS 77 -4.205 11.829 0.799 570 1HD LYS 77 2HD LYS 77 -1.615 11.438 2.268 571 2HD LYS 77 1HD LYS 77 -2.002 10.360 0.928 572 1HE LYS 77 2HE LYS 77 -2.355 12.325 -0.539 573 2HE LYS 77 1HE LYS 77 -1.926 13.390 0.799 574 1HZ LYS 77 1HZ LYS 77 -0.169 12.473 -0.973 575 2HZ LYS 77 2HZ LYS 77 -0.037 11.266 0.216 576 3HZ LYS 77 3HZ LYS 77 0.243 12.893 0.618 577 H LYS 78 H LYS 78 -5.298 12.512 6.074 578 HA LYS 78 HA LYS 78 -3.256 14.425 7.155 579 1HB LYS 78 2HB LYS 78 -5.427 15.358 6.119 580 2HB LYS 78 1HB LYS 78 -6.241 14.688 7.532 581 1HG LYS 78 2HG LYS 78 -4.080 16.017 8.659 582 2HG LYS 78 1HG LYS 78 -4.521 17.071 7.317 583 1HD LYS 78 2HD LYS 78 -6.510 16.022 9.353 584 2HD LYS 78 1HD LYS 78 -5.719 17.592 9.473 585 1HE LYS 78 2HE LYS 78 -7.214 16.798 6.976 586 2HE LYS 78 1HE LYS 78 -8.053 17.510 8.354 587 1HZ LYS 78 1HZ LYS 78 -5.681 18.947 7.729 588 2HZ LYS 78 2HZ LYS 78 -7.282 19.506 7.836 589 3HZ LYS 78 3HZ LYS 78 -6.702 18.856 6.378 590 H ASP 79 H ASP 79 -4.457 11.474 7.793 591 HA ASP 79 HA ASP 79 -3.972 11.791 10.682 592 1HB ASP 79 2HB ASP 79 -6.478 12.200 10.173 593 2HB ASP 79 1HB ASP 79 -6.549 10.471 9.830 594 HA PRO 80 HA PRO 80 -2.589 7.795 8.660 595 1HB PRO 80 2HB PRO 80 -0.045 8.197 9.949 596 2HB PRO 80 1HB PRO 80 -0.411 8.229 8.222 597 1HG PRO 80 2HG PRO 80 0.288 10.438 9.871 598 2HG PRO 80 1HG PRO 80 -0.213 10.482 8.178 599 1HD PRO 80 2HD PRO 80 -1.719 11.299 10.544 600 2HD PRO 80 1HD PRO 80 -2.131 11.533 8.827 601 H GLY 81 H GLY 81 -3.813 8.573 11.417 602 1HA GLY 81 2HA GLY 81 -2.788 6.162 12.869 603 2HA GLY 81 1HA GLY 81 -3.094 7.673 13.726 604 H LYS 82 H LYS 82 -5.360 7.485 11.319 605 HA LYS 82 HA LYS 82 -7.277 5.880 12.951 606 1HB LYS 82 2HB LYS 82 -7.774 8.676 11.878 607 2HB LYS 82 1HB LYS 82 -8.993 7.646 12.631 608 1HG LYS 82 2HG LYS 82 -7.295 7.520 14.620 609 2HG LYS 82 1HG LYS 82 -6.598 8.967 13.891 610 1HD LYS 82 2HD LYS 82 -8.950 9.950 13.897 611 2HD LYS 82 1HD LYS 82 -9.420 8.589 14.914 612 1HE LYS 82 2HE LYS 82 -7.576 10.871 15.541 613 2HE LYS 82 1HE LYS 82 -8.859 10.171 16.528 614 1HZ LYS 82 1HZ LYS 82 -6.106 9.258 16.131 615 2HZ LYS 82 2HZ LYS 82 -7.307 8.083 16.390 616 3HZ LYS 82 3HZ LYS 82 -7.038 9.298 17.547 617 H THR 83 H THR 83 -8.658 4.666 11.698 618 HA THR 83 HA THR 83 -8.100 4.457 8.863 619 HB THR 83 HB THR 83 -9.961 2.791 8.889 620 HG1 THR 83 1HG THR 83 -10.092 3.386 11.650 621 1HG2 THR 83 1HG2 THR 83 -7.812 1.921 9.419 622 2HG2 THR 83 2HG2 THR 83 -8.886 1.301 10.673 623 3HG2 THR 83 3HG2 THR 83 -7.824 2.665 11.018 624 H CYS 84 H CYS 84 -9.640 4.849 7.138 625 HA CYS 84 HA CYS 84 -11.294 7.243 7.645 626 1HB CYS 84 2HB CYS 84 -9.745 6.961 5.630 627 2HB CYS 84 1HB CYS 84 -10.914 5.793 5.016 628 H ASP 85 H ASP 85 -13.413 7.066 6.025 629 HA ASP 85 HA ASP 85 -15.163 5.216 7.388 630 1HB ASP 85 2HB ASP 85 -15.888 7.428 6.458 631 2HB ASP 85 1HB ASP 85 -15.691 6.764 4.835 632 H VAL 86 H VAL 86 -16.027 3.268 6.647 633 HA VAL 86 HA VAL 86 -15.027 2.256 4.015 634 HB VAL 86 HB VAL 86 -15.324 0.463 6.421 635 1HG1 VAL 86 1HG1 VAL 86 -13.697 0.347 3.862 636 2HG1 VAL 86 2HG1 VAL 86 -15.133 -0.607 4.231 637 3HG1 VAL 86 3HG1 VAL 86 -13.645 -0.867 5.140 638 1HG2 VAL 86 1HG2 VAL 86 -12.832 0.741 6.713 639 2HG2 VAL 86 2HG2 VAL 86 -13.770 2.169 7.154 640 3HG2 VAL 86 3HG2 VAL 86 -12.915 2.117 5.612 641 H THR 87 H THR 87 -16.371 0.308 3.296 642 HA THR 87 HA THR 87 -19.110 0.265 4.420 643 HB THR 87 HB THR 87 -18.505 0.939 1.526 644 HG1 THR 87 1HG THR 87 -18.681 2.472 3.588 645 1HG2 THR 87 1HG2 THR 87 -21.073 0.294 2.983 646 2HG2 THR 87 2HG2 THR 87 -20.417 -0.494 1.549 647 3HG2 THR 87 3HG2 THR 87 -21.043 1.151 1.442 648 H GLY 88 H GLY 88 -16.921 -0.972 1.902 649 1HA GLY 88 2HA GLY 88 -17.305 -3.702 2.670 650 2HA GLY 88 1HA GLY 88 -18.334 -3.343 1.283 651 H TRP 89 H TRP 89 -17.040 -4.801 -0.018 652 HA TRP 89 HA TRP 89 -14.661 -3.458 -1.146 653 1HB TRP 89 2HB TRP 89 -14.411 -6.374 -0.441 654 2HB TRP 89 1HB TRP 89 -13.137 -5.189 -0.741 655 HD1 TRP 89 HD TRP 89 -12.388 -3.645 1.240 656 HE1 TRP 89 1HE TRP 89 -12.857 -3.682 3.775 657 HE3 TRP 89 3HE TRP 89 -16.262 -6.970 1.371 658 HZ2 TRP 89 2HZ TRP 89 -14.641 -4.955 5.614 659 HZ3 TRP 89 3HZ TRP 89 -17.327 -7.576 3.526 660 HH2 TRP 89 HH TRP 89 -16.521 -6.573 5.646 661 H VAL 90 H VAL 90 -14.045 -4.444 -3.242 662 HA VAL 90 HA VAL 90 -16.027 -6.316 -4.407 663 HB VAL 90 HB VAL 90 -15.413 -3.616 -5.637 664 1HG1 VAL 90 1HG1 VAL 90 -17.205 -5.918 -6.450 665 2HG1 VAL 90 2HG1 VAL 90 -15.828 -5.270 -7.342 666 3HG1 VAL 90 3HG1 VAL 90 -17.297 -4.310 -7.170 667 1HG2 VAL 90 1HG2 VAL 90 -17.836 -4.678 -4.161 668 2HG2 VAL 90 2HG2 VAL 90 -17.884 -3.240 -5.182 669 3HG2 VAL 90 3HG2 VAL 90 -16.863 -3.268 -3.746 670 H LEU 91 H LEU 91 -14.989 -7.742 -5.733 671 HA LEU 91 HA LEU 91 -12.121 -7.380 -6.217 672 1HB LEU 91 2HB LEU 91 -13.466 -9.592 -5.707 673 2HB LEU 91 1HB LEU 91 -13.745 -9.593 -7.447 674 HG LEU 91 HG LEU 91 -11.030 -9.464 -6.100 675 1HD1 LEU 91 1HD1 LEU 91 -12.500 -11.679 -7.552 676 2HD1 LEU 91 2HD1 LEU 91 -11.969 -11.679 -5.871 677 3HD1 LEU 91 3HD1 LEU 91 -10.780 -11.735 -7.171 678 1HD2 LEU 91 1HD2 LEU 91 -10.344 -9.973 -8.559 679 2HD2 LEU 91 2HD2 LEU 91 -10.795 -8.318 -8.152 680 3HD2 LEU 91 3HD2 LEU 91 -11.948 -9.368 -8.975 Start of MODEL 18 1 1H GLN 1 1HT GLN 1 -4.728 -4.572 -14.439 2 2H GLN 1 2HT GLN 1 -4.269 -3.024 -13.911 3 3H GLN 1 3HT GLN 1 -4.488 -4.278 -12.787 4 HA GLN 1 HA GLN 1 -2.616 -5.484 -13.735 5 1HB GLN 1 2HB GLN 1 -2.377 -2.995 -15.453 6 2HB GLN 1 1HB GLN 1 -1.193 -4.302 -15.386 7 1HG GLN 1 2HG GLN 1 -2.943 -5.898 -16.136 8 2HG GLN 1 1HG GLN 1 -4.085 -4.559 -16.265 9 1HE2 GLN 1 1HE2 GLN 1 -4.208 -3.666 -18.324 10 2HE2 GLN 1 2HE2 GLN 1 -2.969 -3.709 -19.484 11 H CYS 2 H CYS 2 -0.209 -4.502 -13.478 12 HA CYS 2 HA CYS 2 -0.185 -3.266 -10.859 13 1HB CYS 2 2HB CYS 2 1.550 -4.889 -11.924 14 2HB CYS 2 1HB CYS 2 2.219 -3.438 -12.672 15 H TYR 3 H TYR 3 1.290 -1.262 -10.514 16 HA TYR 3 HA TYR 3 1.130 0.691 -12.737 17 1HB TYR 3 2HB TYR 3 -1.020 0.752 -11.309 18 2HB TYR 3 1HB TYR 3 -0.002 1.416 -10.030 19 HD1 TYR 3 1HD TYR 3 0.394 3.726 -9.959 20 HD2 TYR 3 2HD TYR 3 -0.819 1.908 -13.657 21 HE1 TYR 3 1HE TYR 3 0.250 5.966 -11.013 22 HE2 TYR 3 2HE TYR 3 -0.963 4.147 -14.710 23 HH TYR 3 HH TYR 3 0.354 6.930 -13.297 24 H PHE 4 H PHE 4 2.591 2.450 -12.459 25 HA PHE 4 HA PHE 4 4.598 2.033 -10.275 26 1HB PHE 4 2HB PHE 4 4.792 2.923 -13.130 27 2HB PHE 4 1HB PHE 4 5.951 3.582 -11.976 28 HD1 PHE 4 1HD PHE 4 7.794 2.300 -11.238 29 HD2 PHE 4 2HD PHE 4 4.531 0.375 -13.263 30 HE1 PHE 4 1HE PHE 4 9.100 0.195 -11.339 31 HE2 PHE 4 2HE PHE 4 5.837 -1.731 -13.364 32 HZ PHE 4 HZ PHE 4 8.121 -1.822 -12.403 33 H ILE 5 H ILE 5 4.710 3.604 -8.753 34 HA ILE 5 HA ILE 5 3.417 6.233 -9.347 35 HB ILE 5 HB ILE 5 3.850 4.790 -6.723 36 1HG1 ILE 5 2HG1 ILE 5 1.242 5.163 -6.767 37 2HG1 ILE 5 1HG1 ILE 5 1.477 5.336 -8.504 38 1HG2 ILE 5 1HG2 ILE 5 2.462 6.760 -5.848 39 2HG2 ILE 5 2HG2 ILE 5 2.858 7.572 -7.361 40 3HG2 ILE 5 3HG2 ILE 5 4.145 7.104 -6.248 41 1HD1 ILE 5 1HD1 ILE 5 2.334 3.125 -8.713 42 2HD1 ILE 5 2HD1 ILE 5 0.941 2.977 -7.645 43 3HD1 ILE 5 3HD1 ILE 5 2.571 2.968 -6.972 44 HA PRO 6 HA PRO 6 7.789 7.484 -9.154 45 1HB PRO 6 2HB PRO 6 6.949 10.225 -9.438 46 2HB PRO 6 1HB PRO 6 7.717 9.185 -10.641 47 1HG PRO 6 2HG PRO 6 4.999 10.085 -10.583 48 2HG PRO 6 1HG PRO 6 5.765 9.025 -11.769 49 1HD PRO 6 2HD PRO 6 3.833 8.319 -9.740 50 2HD PRO 6 1HD PRO 6 4.588 7.253 -10.953 51 H ASN 7 H ASN 7 8.861 7.820 -7.248 52 HA ASN 7 HA ASN 7 7.680 8.343 -4.780 53 1HB ASN 7 2HB ASN 7 10.138 7.682 -5.379 54 2HB ASN 7 1HB ASN 7 10.430 9.421 -5.382 55 1HD2 ASN 7 1HD2 ASN 7 10.070 6.653 -3.349 56 2HD2 ASN 7 2HD2 ASN 7 10.060 7.473 -1.862 57 H GLN 8 H GLN 8 7.770 10.318 -3.420 58 HA GLN 8 HA GLN 8 7.484 12.813 -5.059 59 1HB GLN 8 2HB GLN 8 5.928 13.502 -3.105 60 2HB GLN 8 1HB GLN 8 5.306 12.335 -4.271 61 1HG GLN 8 2HG GLN 8 6.730 11.430 -1.769 62 2HG GLN 8 1HG GLN 8 5.004 11.790 -1.759 63 1HE2 GLN 8 1HE2 GLN 8 7.216 9.291 -2.288 64 2HE2 GLN 8 2HE2 GLN 8 6.217 8.251 -3.181 65 H SER 9 H SER 9 9.322 11.271 -2.722 66 HA SER 9 HA SER 9 9.857 13.291 -0.812 67 1HB SER 9 2HB SER 9 10.841 11.219 -0.323 68 2HB SER 9 1HB SER 9 11.480 11.029 -1.953 69 HG SER 9 HG SER 9 12.428 12.553 0.199 70 H LEU 10 H LEU 10 11.819 14.701 -0.719 71 HA LEU 10 HA LEU 10 12.158 16.111 -3.281 72 1HB LEU 10 2HB LEU 10 12.979 16.652 -0.429 73 2HB LEU 10 1HB LEU 10 13.661 17.593 -1.755 74 HG LEU 10 HG LEU 10 11.352 18.159 -2.502 75 1HD1 LEU 10 1HD1 LEU 10 10.048 16.343 -1.688 76 2HD1 LEU 10 2HD1 LEU 10 9.547 17.730 -0.720 77 3HD1 LEU 10 3HD1 LEU 10 10.660 16.538 -0.045 78 1HD2 LEU 10 1HD2 LEU 10 10.929 19.788 -0.764 79 2HD2 LEU 10 2HD2 LEU 10 12.677 19.596 -0.899 80 3HD2 LEU 10 3HD2 LEU 10 11.804 18.821 0.423 81 H LYS 11 H LYS 11 13.862 13.790 -1.359 82 HA LYS 11 HA LYS 11 16.049 13.808 -3.355 83 1HB LYS 11 2HB LYS 11 16.852 13.570 -0.477 84 2HB LYS 11 1HB LYS 11 17.785 14.161 -1.853 85 1HG LYS 11 2HG LYS 11 16.351 16.192 -1.921 86 2HG LYS 11 1HG LYS 11 15.493 15.608 -0.495 87 1HD LYS 11 2HD LYS 11 17.718 15.530 0.703 88 2HD LYS 11 1HD LYS 11 18.421 16.353 -0.690 89 1HE LYS 11 2HE LYS 11 17.155 18.312 -0.325 90 2HE LYS 11 1HE LYS 11 16.004 17.481 0.721 91 1HZ LYS 11 1HZ LYS 11 17.538 17.368 2.448 92 2HZ LYS 11 2HZ LYS 11 17.753 18.932 1.822 93 3HZ LYS 11 3HZ LYS 11 18.860 17.701 1.439 94 HA PRO 12 HA PRO 12 15.430 9.421 -3.042 95 1HB PRO 12 2HB PRO 12 18.230 8.808 -3.336 96 2HB PRO 12 1HB PRO 12 16.960 8.726 -4.558 97 1HG PRO 12 2HG PRO 12 19.079 10.668 -4.308 98 2HG PRO 12 1HG PRO 12 17.868 10.522 -5.585 99 1HD PRO 12 2HD PRO 12 18.017 12.550 -3.575 100 2HD PRO 12 1HD PRO 12 16.713 12.304 -4.763 101 H ASN 13 H ASN 13 17.440 7.602 -2.055 102 HA ASN 13 HA ASN 13 18.181 6.666 -0.047 103 1HB ASN 13 2HB ASN 13 19.463 8.931 -0.095 104 2HB ASN 13 1HB ASN 13 18.293 9.444 1.121 105 1HD2 ASN 13 1HD2 ASN 13 19.392 9.314 3.096 106 2HD2 ASN 13 2HD2 ASN 13 20.272 7.962 3.621 107 H GLU 14 H GLU 14 15.366 6.926 -0.467 108 HA GLU 14 HA GLU 14 14.405 6.360 2.168 109 1HB GLU 14 2HB GLU 14 13.008 8.285 2.612 110 2HB GLU 14 1HB GLU 14 14.652 8.864 2.356 111 1HG GLU 14 2HG GLU 14 13.972 9.177 -0.108 112 2HG GLU 14 1HG GLU 14 12.311 8.987 0.453 113 H CYS 15 H CYS 15 11.904 6.231 2.128 114 HA CYS 15 HA CYS 15 10.803 5.909 -0.608 115 1HB CYS 15 2HB CYS 15 11.434 3.703 1.279 116 2HB CYS 15 1HB CYS 15 9.841 3.626 0.528 117 H GLN 16 H GLN 16 9.455 7.703 0.008 118 HA GLN 16 HA GLN 16 7.580 7.228 2.274 119 1HB GLN 16 2HB GLN 16 8.868 9.447 1.900 120 2HB GLN 16 1HB GLN 16 7.724 9.729 0.589 121 1HG GLN 16 2HG GLN 16 6.691 10.763 2.438 122 2HG GLN 16 1HG GLN 16 5.893 9.192 2.350 123 1HE2 GLN 16 1HE2 GLN 16 8.926 8.409 3.355 124 2HE2 GLN 16 2HE2 GLN 16 8.715 8.494 5.037 125 H ASP 17 H ASP 17 5.314 7.202 1.928 126 HA ASP 17 HA ASP 17 4.250 7.537 -0.786 127 1HB ASP 17 2HB ASP 17 5.210 5.110 -0.487 128 2HB ASP 17 1HB ASP 17 3.763 4.851 0.486 129 H LEU 18 H LEU 18 1.889 7.581 -0.757 130 HA LEU 18 HA LEU 18 -0.080 8.370 0.271 131 1HB LEU 18 2HB LEU 18 0.760 6.059 2.039 132 2HB LEU 18 1HB LEU 18 -0.774 6.901 2.244 133 HG LEU 18 HG LEU 18 -1.240 6.429 -0.208 134 1HD1 LEU 18 1HD1 LEU 18 1.294 4.843 0.191 135 2HD1 LEU 18 2HD1 LEU 18 0.856 5.909 -1.144 136 3HD1 LEU 18 3HD1 LEU 18 0.089 4.330 -0.989 137 1HD2 LEU 18 1HD2 LEU 18 -1.721 3.959 0.262 138 2HD2 LEU 18 2HD2 LEU 18 -2.389 5.110 1.420 139 3HD2 LEU 18 3HD2 LEU 18 -0.928 4.204 1.819 140 H LYS 19 H LYS 19 -0.566 8.272 3.202 141 HA LYS 19 HA LYS 19 1.294 10.482 4.000 142 1HB LYS 19 2HB LYS 19 -1.351 10.762 3.641 143 2HB LYS 19 1HB LYS 19 -1.378 10.179 5.303 144 1HG LYS 19 2HG LYS 19 -1.169 12.470 5.656 145 2HG LYS 19 1HG LYS 19 0.527 11.990 5.639 146 1HD LYS 19 2HD LYS 19 0.508 12.485 3.135 147 2HD LYS 19 1HD LYS 19 -1.066 13.238 3.389 148 1HE LYS 19 2HE LYS 19 1.455 14.012 4.885 149 2HE LYS 19 1HE LYS 19 0.829 14.874 3.478 150 1HZ LYS 19 1HZ LYS 19 -0.495 14.519 6.108 151 2HZ LYS 19 2HZ LYS 19 -1.286 15.135 4.736 152 3HZ LYS 19 3HZ LYS 19 0.034 15.970 5.407 153 H GLY 20 H GLY 20 1.266 7.388 4.490 154 1HA GLY 20 2HA GLY 20 1.979 7.651 7.356 155 2HA GLY 20 1HA GLY 20 0.743 6.464 6.945 156 H VAL 21 H VAL 21 3.214 6.957 4.583 157 HA VAL 21 HA VAL 21 4.487 4.380 5.443 158 HB VAL 21 HB VAL 21 4.347 5.508 2.639 159 1HG1 VAL 21 1HG1 VAL 21 4.998 3.189 2.033 160 2HG1 VAL 21 2HG1 VAL 21 5.115 2.794 3.747 161 3HG1 VAL 21 3HG1 VAL 21 6.215 3.975 3.038 162 1HG2 VAL 21 1HG2 VAL 21 2.692 3.293 3.889 163 2HG2 VAL 21 2HG2 VAL 21 2.575 3.880 2.231 164 3HG2 VAL 21 3HG2 VAL 21 2.096 4.921 3.569 165 H SER 22 H SER 22 6.686 4.392 5.738 166 HA SER 22 HA SER 22 8.431 6.331 4.475 167 1HB SER 22 2HB SER 22 7.456 7.820 6.157 168 2HB SER 22 1HB SER 22 7.817 6.658 7.429 169 HG SER 22 HG SER 22 9.655 8.053 5.772 170 H HIS 23 H HIS 23 10.026 4.873 4.043 171 HA HIS 23 HA HIS 23 11.360 3.567 6.331 172 1HB HIS 23 2HB HIS 23 9.776 2.144 4.250 173 2HB HIS 23 1HB HIS 23 11.346 1.442 4.632 174 HD1 HIS 23 1HD HIS 23 8.374 2.820 6.613 175 HD2 HIS 23 2HD HIS 23 11.173 -0.265 6.784 176 HE1 HIS 23 1HE HIS 23 7.810 1.453 8.670 177 HA PRO 24 HA PRO 24 15.011 4.548 4.040 178 1HB PRO 24 2HB PRO 24 16.249 1.964 4.327 179 2HB PRO 24 1HB PRO 24 16.573 3.438 5.244 180 1HG PRO 24 2HG PRO 24 15.161 1.063 6.099 181 2HG PRO 24 1HG PRO 24 15.604 2.483 7.052 182 1HD PRO 24 2HD PRO 24 12.984 1.739 6.221 183 2HD PRO 24 1HD PRO 24 13.467 3.274 6.987 184 H LEU 25 H LEU 25 15.902 4.267 1.925 185 HA LEU 25 HA LEU 25 14.279 3.039 -0.036 186 1HB LEU 25 2HB LEU 25 16.616 4.606 -0.020 187 2HB LEU 25 1HB LEU 25 17.084 3.125 -0.850 188 HG LEU 25 HG LEU 25 14.586 4.695 -1.551 189 1HD1 LEU 25 1HD1 LEU 25 16.338 6.194 -2.072 190 2HD1 LEU 25 2HD1 LEU 25 16.037 5.346 -3.587 191 3HD1 LEU 25 3HD1 LEU 25 17.415 4.896 -2.583 192 1HD2 LEU 25 1HD2 LEU 25 14.549 2.361 -2.258 193 2HD2 LEU 25 2HD2 LEU 25 16.167 2.512 -2.946 194 3HD2 LEU 25 3HD2 LEU 25 14.815 3.381 -3.671 195 H ASN 26 H ASN 26 15.838 1.403 -1.626 196 HA ASN 26 HA ASN 26 16.230 -0.910 -1.851 197 1HB ASN 26 2HB ASN 26 18.406 -0.042 -0.969 198 2HB ASN 26 1HB ASN 26 17.847 -0.403 0.665 199 1HD2 ASN 26 1HD2 ASN 26 18.127 -2.537 1.405 200 2HD2 ASN 26 2HD2 ASN 26 18.619 -3.830 0.422 201 H SER 27 H SER 27 13.834 -1.062 -1.096 202 HA SER 27 HA SER 27 13.763 -3.000 1.146 203 1HB SER 27 2HB SER 27 12.042 -0.508 1.012 204 2HB SER 27 1HB SER 27 11.758 -1.853 2.113 205 HG SER 27 HG SER 27 13.479 -1.301 3.249 206 H VAL 28 H VAL 28 13.080 -4.702 -0.112 207 HA VAL 28 HA VAL 28 10.682 -4.279 -1.850 208 HB VAL 28 HB VAL 28 11.523 -6.654 -2.672 209 1HG1 VAL 28 1HG1 VAL 28 13.074 -5.457 -4.277 210 2HG1 VAL 28 2HG1 VAL 28 12.818 -3.996 -3.322 211 3HG1 VAL 28 3HG1 VAL 28 11.461 -4.757 -4.151 212 1HG2 VAL 28 1HG2 VAL 28 14.095 -5.413 -1.662 213 2HG2 VAL 28 2HG2 VAL 28 13.902 -6.977 -2.453 214 3HG2 VAL 28 3HG2 VAL 28 13.260 -6.725 -0.830 215 H TRP 29 H TRP 29 8.814 -5.362 -1.305 216 HA TRP 29 HA TRP 29 8.961 -7.701 0.499 217 1HB TRP 29 2HB TRP 29 7.424 -6.758 2.136 218 2HB TRP 29 1HB TRP 29 8.826 -5.697 1.992 219 HD1 TRP 29 HD TRP 29 5.116 -5.908 1.172 220 HE1 TRP 29 1HE TRP 29 4.273 -3.566 0.503 221 HE3 TRP 29 3HE TRP 29 9.559 -3.397 0.956 222 HZ2 TRP 29 2HZ TRP 29 5.340 -0.971 -0.050 223 HZ3 TRP 29 3HZ TRP 29 9.615 -0.993 0.357 224 HH2 TRP 29 HH TRP 29 7.513 0.221 -0.146 225 H LYS 30 H LYS 30 7.338 -9.143 0.047 226 HA LYS 30 HA LYS 30 4.927 -8.208 -1.401 227 1HB LYS 30 2HB LYS 30 5.202 -9.909 -3.149 228 2HB LYS 30 1HB LYS 30 6.566 -8.792 -3.152 229 1HG LYS 30 2HG LYS 30 7.497 -10.662 -1.411 230 2HG LYS 30 1HG LYS 30 6.489 -11.676 -2.444 231 1HD LYS 30 2HD LYS 30 7.645 -10.572 -4.430 232 2HD LYS 30 1HD LYS 30 8.794 -9.906 -3.269 233 1HE LYS 30 2HE LYS 30 9.767 -11.947 -4.063 234 2HE LYS 30 1HE LYS 30 9.155 -12.291 -2.445 235 1HZ LYS 30 1HZ LYS 30 8.606 -13.848 -4.459 236 2HZ LYS 30 2HZ LYS 30 7.367 -12.715 -4.726 237 3HZ LYS 30 3HZ LYS 30 7.456 -13.550 -3.248 238 H THR 31 H THR 31 3.169 -9.722 -1.240 239 HA THR 31 HA THR 31 3.435 -11.544 1.077 240 HB THR 31 HB THR 31 1.037 -11.587 1.106 241 HG1 THR 31 1HG THR 31 1.390 -10.848 -1.550 242 1HG2 THR 31 1HG2 THR 31 1.670 -8.798 0.147 243 2HG2 THR 31 2HG2 THR 31 2.265 -9.401 1.694 244 3HG2 THR 31 3HG2 THR 31 0.530 -9.293 1.399 245 H LYS 32 H LYS 32 1.415 -13.408 0.326 246 HA LYS 32 HA LYS 32 3.001 -15.099 -1.500 247 1HB LYS 32 2HB LYS 32 0.438 -15.695 0.016 248 2HB LYS 32 1HB LYS 32 1.413 -16.875 -0.859 249 1HG LYS 32 2HG LYS 32 2.367 -17.192 1.204 250 2HG LYS 32 1HG LYS 32 3.332 -15.795 0.727 251 1HD LYS 32 2HD LYS 32 1.633 -14.315 1.830 252 2HD LYS 32 1HD LYS 32 0.809 -15.763 2.410 253 1HE LYS 32 2HE LYS 32 3.060 -16.444 3.434 254 2HE LYS 32 1HE LYS 32 3.582 -14.789 3.116 255 1HZ LYS 32 1HZ LYS 32 2.727 -14.546 5.193 256 2HZ LYS 32 2HZ LYS 32 1.574 -15.779 5.000 257 3HZ LYS 32 3HZ LYS 32 1.319 -14.254 4.296 258 H ASP 33 H ASP 33 -0.005 -13.298 -1.463 259 HA ASP 33 HA ASP 33 -0.198 -13.359 -4.339 260 1HB ASP 33 2HB ASP 33 -1.242 -15.631 -3.104 261 2HB ASP 33 1HB ASP 33 -2.661 -14.617 -3.353 262 H CYS 34 H CYS 34 -0.355 -11.594 -1.884 263 HA CYS 34 HA CYS 34 -3.089 -10.469 -2.180 264 1HB CYS 34 2HB CYS 34 -1.729 -10.884 0.074 265 2HB CYS 34 1HB CYS 34 -1.060 -9.300 -0.317 266 H GLU 35 H GLU 35 0.242 -9.192 -2.018 267 HA GLU 35 HA GLU 35 -0.203 -7.569 -4.412 268 1HB GLU 35 2HB GLU 35 -1.274 -6.037 -2.966 269 2HB GLU 35 1HB GLU 35 -0.151 -6.356 -1.647 270 1HG GLU 35 2HG GLU 35 1.610 -5.156 -2.723 271 2HG GLU 35 1HG GLU 35 0.740 -5.111 -4.256 272 H GLU 36 H GLU 36 1.805 -6.368 -4.988 273 HA GLU 36 HA GLU 36 4.245 -7.372 -3.584 274 1HB GLU 36 2HB GLU 36 4.063 -8.812 -5.492 275 2HB GLU 36 1HB GLU 36 3.632 -7.469 -6.549 276 1HG GLU 36 2HG GLU 36 5.829 -6.569 -6.483 277 2HG GLU 36 1HG GLU 36 6.278 -7.558 -5.094 278 H CYS 37 H CYS 37 4.812 -5.375 -2.714 279 HA CYS 37 HA CYS 37 4.971 -3.060 -4.587 280 1HB CYS 37 2HB CYS 37 4.648 -3.314 -1.620 281 2HB CYS 37 1HB CYS 37 5.383 -1.852 -2.278 282 H THR 38 H THR 38 6.915 -2.225 -5.137 283 HA THR 38 HA THR 38 9.341 -3.181 -3.665 284 HB THR 38 HB THR 38 10.515 -3.386 -5.753 285 HG1 THR 38 1HG THR 38 8.164 -2.479 -7.040 286 1HG2 THR 38 1HG2 THR 38 9.329 -5.179 -6.793 287 2HG2 THR 38 2HG2 THR 38 7.768 -4.521 -6.300 288 3HG2 THR 38 3HG2 THR 38 8.856 -5.209 -5.094 289 H CYS 39 H CYS 39 11.145 -1.636 -3.747 290 HA CYS 39 HA CYS 39 10.183 1.178 -4.107 291 1HB CYS 39 2HB CYS 39 11.754 -0.174 -2.039 292 2HB CYS 39 1HB CYS 39 12.562 1.269 -2.647 293 H GLY 40 H GLY 40 10.859 1.898 -6.074 294 1HA GLY 40 2HA GLY 40 13.332 0.895 -7.289 295 2HA GLY 40 1HA GLY 40 12.236 2.080 -7.998 296 H GLN 41 H GLN 41 14.958 2.553 -8.128 297 HA GLN 41 HA GLN 41 16.119 3.990 -5.995 298 1HB GLN 41 2HB GLN 41 17.216 3.292 -8.193 299 2HB GLN 41 1HB GLN 41 16.464 4.719 -8.908 300 1HG GLN 41 2HG GLN 41 17.547 6.002 -6.912 301 2HG GLN 41 1HG GLN 41 18.576 4.578 -6.765 302 1HE2 GLN 41 1HE2 GLN 41 18.674 7.572 -8.065 303 2HE2 GLN 41 2HE2 GLN 41 19.617 7.280 -9.446 304 H ASP 42 H ASP 42 14.132 5.205 -8.688 305 HA ASP 42 HA ASP 42 13.502 7.602 -7.006 306 1HB ASP 42 2HB ASP 42 15.125 8.073 -8.913 307 2HB ASP 42 1HB ASP 42 13.812 7.661 -10.017 308 H ALA 43 H ALA 43 12.063 5.019 -7.531 309 HA ALA 43 HA ALA 43 9.458 6.217 -8.108 310 1HB ALA 43 1HB ALA 43 10.313 5.721 -10.390 311 2HB ALA 43 2HB ALA 43 8.908 4.736 -9.983 312 3HB ALA 43 3HB ALA 43 10.524 4.033 -9.925 313 H ILE 44 H ILE 44 7.728 4.405 -7.991 314 HA ILE 44 HA ILE 44 8.623 2.161 -6.237 315 HB ILE 44 HB ILE 44 6.376 4.122 -5.679 316 1HG1 ILE 44 2HG1 ILE 44 8.700 3.256 -3.936 317 2HG1 ILE 44 1HG1 ILE 44 8.761 4.673 -4.985 318 1HG2 ILE 44 1HG2 ILE 44 7.004 1.410 -4.497 319 2HG2 ILE 44 2HG2 ILE 44 5.472 1.978 -5.160 320 3HG2 ILE 44 3HG2 ILE 44 6.060 2.618 -3.626 321 1HD1 ILE 44 1HD1 ILE 44 8.090 5.178 -2.604 322 2HD1 ILE 44 2HD1 ILE 44 6.622 4.242 -2.884 323 3HD1 ILE 44 3HD1 ILE 44 6.924 5.710 -3.814 324 H SER 45 H SER 45 7.717 0.260 -6.883 325 HA SER 45 HA SER 45 5.443 0.397 -8.827 326 1HB SER 45 2HB SER 45 6.322 -1.463 -9.908 327 2HB SER 45 1HB SER 45 7.803 -0.701 -9.339 328 HG SER 45 HG SER 45 7.622 -2.971 -8.841 329 H CYS 46 H CYS 46 3.561 -0.706 -8.341 330 HA CYS 46 HA CYS 46 3.564 -2.617 -6.076 331 1HB CYS 46 2HB CYS 46 2.089 0.005 -6.144 332 2HB CYS 46 1HB CYS 46 1.422 -1.365 -5.257 333 H CYS 47 H CYS 47 2.370 -4.338 -6.612 334 HA CYS 47 HA CYS 47 0.283 -4.020 -8.741 335 1HB CYS 47 2HB CYS 47 1.697 -6.602 -8.068 336 2HB CYS 47 1HB CYS 47 0.811 -6.189 -9.535 337 H ASN 48 H ASN 48 -1.692 -4.065 -7.779 338 HA ASN 48 HA ASN 48 -2.073 -5.861 -5.413 339 1HB ASN 48 2HB ASN 48 -3.951 -4.432 -4.813 340 2HB ASN 48 1HB ASN 48 -2.526 -3.426 -5.075 341 1HD2 ASN 48 1HD2 ASN 48 -5.775 -4.008 -6.120 342 2HD2 ASN 48 2HD2 ASN 48 -5.779 -2.917 -7.420 343 H THR 49 H THR 49 -3.536 -7.508 -5.554 344 HA THR 49 HA THR 49 -5.384 -7.571 -7.902 345 HB THR 49 HB THR 49 -4.755 -9.749 -8.508 346 HG1 THR 49 1HG THR 49 -3.357 -10.968 -7.043 347 1HG2 THR 49 1HG2 THR 49 -2.943 -8.003 -8.880 348 2HG2 THR 49 2HG2 THR 49 -2.389 -9.677 -8.871 349 3HG2 THR 49 3HG2 THR 49 -2.139 -8.658 -7.453 350 H ALA 50 H ALA 50 -5.227 -7.414 -4.683 351 HA ALA 50 HA ALA 50 -7.130 -9.562 -4.020 352 1HB ALA 50 1HB ALA 50 -6.014 -7.278 -2.362 353 2HB ALA 50 2HB ALA 50 -5.434 -8.944 -2.364 354 3HB ALA 50 3HB ALA 50 -7.040 -8.570 -1.737 355 H ALA 51 H ALA 51 -9.163 -8.844 -2.752 356 HA ALA 51 HA ALA 51 -10.944 -7.459 -4.386 357 1HB ALA 51 1HB ALA 51 -10.977 -7.539 -1.353 358 2HB ALA 51 2HB ALA 51 -11.645 -8.777 -2.416 359 3HB ALA 51 3HB ALA 51 -12.357 -7.164 -2.385 360 H ILE 52 H ILE 52 -11.763 -5.284 -4.367 361 HA ILE 52 HA ILE 52 -9.794 -3.297 -3.322 362 HB ILE 52 HB ILE 52 -11.304 -3.569 -5.838 363 1HG1 ILE 52 2HG1 ILE 52 -9.437 -2.118 -6.644 364 2HG1 ILE 52 1HG1 ILE 52 -8.871 -1.974 -4.979 365 1HG2 ILE 52 1HG2 ILE 52 -11.467 -1.059 -6.135 366 2HG2 ILE 52 2HG2 ILE 52 -11.237 -0.906 -4.395 367 3HG2 ILE 52 3HG2 ILE 52 -12.650 -1.752 -5.027 368 1HD1 ILE 52 1HD1 ILE 52 -8.332 -4.278 -4.843 369 2HD1 ILE 52 2HD1 ILE 52 -7.775 -3.796 -6.445 370 3HD1 ILE 52 3HD1 ILE 52 -9.294 -4.673 -6.267 371 HA PRO 53 HA PRO 53 -12.916 -2.015 -0.409 372 1HB PRO 53 2HB PRO 53 -12.134 0.751 -0.578 373 2HB PRO 53 1HB PRO 53 -11.760 -0.418 0.692 374 1HG PRO 53 2HG PRO 53 -10.006 0.640 -1.343 375 2HG PRO 53 1HG PRO 53 -9.609 -0.440 -0.005 376 1HD PRO 53 2HD PRO 53 -9.702 -1.112 -2.772 377 2HD PRO 53 1HD PRO 53 -9.501 -2.235 -1.407 378 H THR 54 H THR 54 -15.047 -1.472 -0.713 379 HA THR 54 HA THR 54 -15.729 0.408 -2.940 380 HB THR 54 HB THR 54 -17.441 -1.015 -3.732 381 HG1 THR 54 1HG THR 54 -18.447 -1.698 -1.943 382 1HG2 THR 54 1HG2 THR 54 -15.019 -1.814 -4.085 383 2HG2 THR 54 2HG2 THR 54 -16.301 -2.992 -4.363 384 3HG2 THR 54 3HG2 THR 54 -15.375 -3.035 -2.863 385 H GLY 55 H GLY 55 -18.355 0.735 -2.631 386 1HA GLY 55 2HA GLY 55 -19.953 1.824 -1.301 387 2HA GLY 55 1HA GLY 55 -19.418 0.762 0.002 388 H TYR 56 H TYR 56 -16.730 2.345 -1.085 389 HA TYR 56 HA TYR 56 -16.854 4.256 1.183 390 1HB TYR 56 2HB TYR 56 -14.821 3.138 1.322 391 2HB TYR 56 1HB TYR 56 -14.674 2.975 -0.426 392 HD1 TYR 56 1HD TYR 56 -12.976 4.232 -1.401 393 HD2 TYR 56 2HD TYR 56 -14.995 5.777 2.063 394 HE1 TYR 56 1HE TYR 56 -11.544 6.254 -1.469 395 HE2 TYR 56 2HE TYR 56 -13.561 7.800 1.994 396 HH TYR 56 HH TYR 56 -10.811 8.031 -0.141 397 H ASP 57 H ASP 57 -17.163 6.404 0.822 398 HA ASP 57 HA ASP 57 -17.436 7.358 -1.943 399 1HB ASP 57 2HB ASP 57 -17.648 8.981 0.604 400 2HB ASP 57 1HB ASP 57 -18.338 9.361 -0.974 401 H THR 58 H THR 58 -15.665 8.056 -3.032 402 HA THR 58 HA THR 58 -13.141 8.590 -1.790 403 HB THR 58 HB THR 58 -12.400 9.287 -3.969 404 HG1 THR 58 1HG THR 58 -14.624 10.493 -4.115 405 1HG2 THR 58 1HG2 THR 58 -13.231 7.453 -5.381 406 2HG2 THR 58 2HG2 THR 58 -14.592 7.217 -4.285 407 3HG2 THR 58 3HG2 THR 58 -12.949 6.889 -3.734 408 H ASN 59 H ASN 59 -14.123 10.096 -0.094 409 HA ASN 59 HA ASN 59 -14.747 12.815 -1.045 410 1HB ASN 59 2HB ASN 59 -14.680 11.463 1.651 411 2HB ASN 59 1HB ASN 59 -14.768 13.222 1.532 412 1HD2 ASN 59 1HD2 ASN 59 -16.259 11.447 -1.067 413 2HD2 ASN 59 2HD2 ASN 59 -17.867 11.675 -0.573 414 H LYS 60 H LYS 60 -12.255 11.302 1.044 415 HA LYS 60 HA LYS 60 -10.147 12.905 -0.089 416 1HB LYS 60 2HB LYS 60 -11.534 14.526 1.420 417 2HB LYS 60 1HB LYS 60 -10.778 13.668 2.761 418 1HG LYS 60 2HG LYS 60 -8.573 14.269 2.010 419 2HG LYS 60 1HG LYS 60 -9.201 14.896 0.485 420 1HD LYS 60 2HD LYS 60 -10.467 16.627 1.743 421 2HD LYS 60 1HD LYS 60 -9.752 16.032 3.241 422 1HE LYS 60 2HE LYS 60 -8.011 16.864 0.924 423 2HE LYS 60 1HE LYS 60 -8.619 18.053 2.074 424 1HZ LYS 60 1HZ LYS 60 -7.039 15.633 2.754 425 2HZ LYS 60 2HZ LYS 60 -7.637 16.766 3.869 426 3HZ LYS 60 3HZ LYS 60 -6.455 17.225 2.738 427 H CYS 61 H CYS 61 -10.102 10.266 0.164 428 HA CYS 61 HA CYS 61 -8.063 9.808 2.261 429 1HB CYS 61 2HB CYS 61 -10.275 7.784 2.000 430 2HB CYS 61 1HB CYS 61 -9.168 8.051 3.344 431 H GLN 62 H GLN 62 -7.173 7.464 1.945 432 HA GLN 62 HA GLN 62 -7.282 6.684 -0.939 433 1HB GLN 62 2HB GLN 62 -5.270 8.090 -0.555 434 2HB GLN 62 1HB GLN 62 -4.751 6.976 0.710 435 1HG GLN 62 2HG GLN 62 -4.384 5.216 -0.823 436 2HG GLN 62 1HG GLN 62 -5.341 5.998 -2.082 437 1HE2 GLN 62 1HE2 GLN 62 -3.338 8.223 -0.397 438 2HE2 GLN 62 2HE2 GLN 62 -2.089 8.315 -1.542 439 H LYS 63 H LYS 63 -6.282 4.453 -1.240 440 HA LYS 63 HA LYS 63 -6.955 2.743 1.120 441 1HB LYS 63 2HB LYS 63 -7.221 0.934 -0.635 442 2HB LYS 63 1HB LYS 63 -8.399 2.243 -0.740 443 1HG LYS 63 2HG LYS 63 -7.022 3.334 -2.484 444 2HG LYS 63 1HG LYS 63 -5.867 2.004 -2.393 445 1HD LYS 63 2HD LYS 63 -7.544 0.417 -3.135 446 2HD LYS 63 1HD LYS 63 -8.801 1.653 -3.065 447 1HE LYS 63 2HE LYS 63 -6.352 1.923 -4.821 448 2HE LYS 63 1HE LYS 63 -7.848 1.176 -5.384 449 1HZ LYS 63 1HZ LYS 63 -8.747 3.440 -4.267 450 2HZ LYS 63 2HZ LYS 63 -8.399 3.260 -5.920 451 3HZ LYS 63 3HZ LYS 63 -7.252 3.957 -4.878 452 H ILE 64 H ILE 64 -5.487 1.121 1.732 453 HA ILE 64 HA ILE 64 -2.912 0.962 0.246 454 HB ILE 64 HB ILE 64 -2.903 2.619 2.254 455 1HG1 ILE 64 2HG1 ILE 64 -0.928 0.345 1.915 456 2HG1 ILE 64 1HG1 ILE 64 -0.842 1.954 1.199 457 1HG2 ILE 64 1HG2 ILE 64 -2.494 0.097 3.849 458 2HG2 ILE 64 2HG2 ILE 64 -4.103 0.799 3.677 459 3HG2 ILE 64 3HG2 ILE 64 -2.810 1.733 4.428 460 1HD1 ILE 64 1HD1 ILE 64 -0.852 2.792 3.674 461 2HD1 ILE 64 2HD1 ILE 64 0.640 2.124 3.012 462 3HD1 ILE 64 3HD1 ILE 64 -0.380 1.137 4.060 463 H LEU 65 H LEU 65 -1.956 -1.085 0.357 464 HA LEU 65 HA LEU 65 -3.661 -3.222 1.459 465 1HB LEU 65 2HB LEU 65 -2.136 -2.997 -0.831 466 2HB LEU 65 1HB LEU 65 -1.088 -3.959 0.205 467 HG LEU 65 HG LEU 65 -2.569 -5.365 -1.178 468 1HD1 LEU 65 1HD1 LEU 65 -2.907 -5.384 1.814 469 2HD1 LEU 65 2HD1 LEU 65 -1.918 -6.438 0.808 470 3HD1 LEU 65 3HD1 LEU 65 -3.672 -6.609 0.807 471 1HD2 LEU 65 1HD2 LEU 65 -4.823 -5.093 -1.329 472 2HD2 LEU 65 2HD2 LEU 65 -4.484 -3.459 -0.760 473 3HD2 LEU 65 3HD2 LEU 65 -4.998 -4.704 0.381 474 H ASN 66 H ASN 66 -3.318 -3.790 3.560 475 HA ASN 66 HA ASN 66 -0.762 -3.229 4.876 476 1HB ASN 66 2HB ASN 66 -3.139 -3.187 5.934 477 2HB ASN 66 1HB ASN 66 -2.969 -4.939 6.027 478 1HD2 ASN 66 1HD2 ASN 66 0.143 -3.889 6.268 479 2HD2 ASN 66 2HD2 ASN 66 0.274 -3.727 7.951 480 H LYS 67 H LYS 67 0.679 -4.562 3.630 481 HA LYS 67 HA LYS 67 0.333 -7.292 3.045 482 1HB LYS 67 2HB LYS 67 2.864 -7.390 3.046 483 2HB LYS 67 1HB LYS 67 2.171 -6.114 2.049 484 1HG LYS 67 2HG LYS 67 3.733 -4.846 3.174 485 2HG LYS 67 1HG LYS 67 2.421 -4.725 4.340 486 1HD LYS 67 2HD LYS 67 3.363 -6.455 5.713 487 2HD LYS 67 1HD LYS 67 4.531 -6.894 4.466 488 1HE LYS 67 2HE LYS 67 5.787 -4.920 4.781 489 2HE LYS 67 1HE LYS 67 4.472 -4.116 5.637 490 1HZ LYS 67 1HZ LYS 67 5.682 -4.752 7.413 491 2HZ LYS 67 2HZ LYS 67 6.410 -6.058 6.608 492 3HZ LYS 67 3HZ LYS 67 4.829 -6.204 7.212 493 H LYS 68 H LYS 68 0.716 -5.839 6.123 494 HA LYS 68 HA LYS 68 2.143 -7.808 7.555 495 1HB LYS 68 2HB LYS 68 -0.073 -5.910 8.284 496 2HB LYS 68 1HB LYS 68 0.433 -7.128 9.454 497 1HG LYS 68 2HG LYS 68 2.540 -5.475 8.097 498 2HG LYS 68 1HG LYS 68 1.603 -4.749 9.403 499 1HD LYS 68 2HD LYS 68 2.319 -6.390 10.972 500 2HD LYS 68 1HD LYS 68 2.942 -7.444 9.702 501 1HE LYS 68 2HE LYS 68 4.813 -6.313 10.774 502 2HE LYS 68 1HE LYS 68 4.631 -5.688 9.135 503 1HZ LYS 68 1HZ LYS 68 3.641 -3.738 9.913 504 2HZ LYS 68 2HZ LYS 68 4.931 -4.006 10.986 505 3HZ LYS 68 3HZ LYS 68 3.341 -4.382 11.453 506 H THR 69 H THR 69 -1.349 -7.626 6.870 507 HA THR 69 HA THR 69 -1.473 -10.597 7.209 508 HB THR 69 HB THR 69 -3.832 -10.189 8.106 509 HG1 THR 69 1HG THR 69 -2.763 -7.605 8.552 510 1HG2 THR 69 1HG2 THR 69 -2.111 -10.899 9.624 511 2HG2 THR 69 2HG2 THR 69 -2.958 -9.559 10.398 512 3HG2 THR 69 3HG2 THR 69 -1.386 -9.290 9.644 513 H CYS 70 H CYS 70 -1.296 -8.680 4.856 514 HA CYS 70 HA CYS 70 -2.313 -8.410 2.754 515 1HB CYS 70 2HB CYS 70 -1.977 -10.753 2.480 516 2HB CYS 70 1HB CYS 70 -3.263 -11.148 3.621 517 H THR 71 H THR 71 -3.598 -6.623 3.775 518 HA THR 71 HA THR 71 -6.498 -7.227 3.525 519 HB THR 71 HB THR 71 -7.093 -6.309 5.621 520 HG1 THR 71 1HG THR 71 -5.253 -4.670 5.255 521 1HG2 THR 71 1HG2 THR 71 -5.879 -7.642 7.237 522 2HG2 THR 71 2HG2 THR 71 -4.491 -7.761 6.157 523 3HG2 THR 71 3HG2 THR 71 -6.003 -8.568 5.742 524 H TYR 72 H TYR 72 -7.781 -5.151 3.445 525 HA TYR 72 HA TYR 72 -6.182 -3.020 2.076 526 1HB TYR 72 2HB TYR 72 -8.652 -4.385 1.423 527 2HB TYR 72 1HB TYR 72 -8.956 -2.657 1.584 528 HD1 TYR 72 1HD TYR 72 -7.994 -5.151 -0.675 529 HD2 TYR 72 2HD TYR 72 -7.014 -1.133 0.486 530 HE1 TYR 72 1HE TYR 72 -6.981 -4.755 -2.904 531 HE2 TYR 72 2HE TYR 72 -6.000 -0.739 -1.743 532 HH TYR 72 HH TYR 72 -6.378 -1.826 -4.153 533 H THR 73 H THR 73 -5.857 -1.286 3.399 534 HA THR 73 HA THR 73 -8.033 -0.579 5.339 535 HB THR 73 HB THR 73 -6.462 -0.144 6.934 536 HG1 THR 73 1HG THR 73 -5.131 1.401 6.520 537 1HG2 THR 73 1HG2 THR 73 -5.825 -2.388 5.923 538 2HG2 THR 73 2HG2 THR 73 -4.546 -1.571 6.822 539 3HG2 THR 73 3HG2 THR 73 -4.543 -1.538 5.060 540 H VAL 74 H VAL 74 -8.351 1.754 5.677 541 HA VAL 74 HA VAL 74 -7.576 3.364 3.270 542 HB VAL 74 HB VAL 74 -10.065 3.889 4.886 543 1HG1 VAL 74 1HG1 VAL 74 -10.800 4.970 2.870 544 2HG1 VAL 74 2HG1 VAL 74 -9.481 4.262 1.937 545 3HG1 VAL 74 3HG1 VAL 74 -9.140 5.498 3.147 546 1HG2 VAL 74 1HG2 VAL 74 -9.717 1.890 2.629 547 2HG2 VAL 74 2HG2 VAL 74 -11.281 2.482 3.191 548 3HG2 VAL 74 3HG2 VAL 74 -10.253 1.546 4.275 549 H VAL 75 H VAL 75 -6.263 5.023 3.795 550 HA VAL 75 HA VAL 75 -6.352 6.088 6.593 551 HB VAL 75 HB VAL 75 -4.047 7.000 5.967 552 1HG1 VAL 75 1HG1 VAL 75 -4.445 4.947 7.349 553 2HG1 VAL 75 2HG1 VAL 75 -2.951 4.875 6.415 554 3HG1 VAL 75 3HG1 VAL 75 -4.374 3.987 5.872 555 1HG2 VAL 75 1HG2 VAL 75 -4.409 6.758 3.497 556 2HG2 VAL 75 2HG2 VAL 75 -4.363 5.007 3.701 557 3HG2 VAL 75 3HG2 VAL 75 -2.932 5.974 4.058 558 H GLU 76 H GLU 76 -5.790 8.503 6.683 559 HA GLU 76 HA GLU 76 -7.245 9.898 4.469 560 1HB GLU 76 2HB GLU 76 -8.097 9.971 6.913 561 2HB GLU 76 1HB GLU 76 -6.728 11.042 7.212 562 1HG GLU 76 2HG GLU 76 -7.511 12.563 5.446 563 2HG GLU 76 1HG GLU 76 -8.868 11.487 5.109 564 H LYS 77 H LYS 77 -6.262 11.623 3.441 565 HA LYS 77 HA LYS 77 -3.391 11.784 3.525 566 1HB LYS 77 2HB LYS 77 -5.434 13.651 2.284 567 2HB LYS 77 1HB LYS 77 -3.700 13.711 1.976 568 1HG LYS 77 2HG LYS 77 -5.134 11.104 1.589 569 2HG LYS 77 1HG LYS 77 -5.313 12.353 0.359 570 1HD LYS 77 2HD LYS 77 -2.628 11.386 1.385 571 2HD LYS 77 1HD LYS 77 -3.408 10.746 -0.059 572 1HE LYS 77 2HE LYS 77 -3.556 13.397 -0.612 573 2HE LYS 77 1HE LYS 77 -2.090 13.377 0.368 574 1HZ LYS 77 1HZ LYS 77 -1.276 11.556 -1.071 575 2HZ LYS 77 2HZ LYS 77 -1.497 13.024 -1.897 576 3HZ LYS 77 3HZ LYS 77 -2.631 11.770 -2.066 577 H LYS 78 H LYS 78 -5.788 13.155 5.509 578 HA LYS 78 HA LYS 78 -3.852 15.242 6.453 579 1HB LYS 78 2HB LYS 78 -6.155 15.935 5.400 580 2HB LYS 78 1HB LYS 78 -6.815 15.416 6.950 581 1HG LYS 78 2HG LYS 78 -6.371 17.720 7.259 582 2HG LYS 78 1HG LYS 78 -5.003 16.909 8.020 583 1HD LYS 78 2HD LYS 78 -4.255 17.210 5.315 584 2HD LYS 78 1HD LYS 78 -5.018 18.738 5.754 585 1HE LYS 78 2HE LYS 78 -2.686 17.385 7.133 586 2HE LYS 78 1HE LYS 78 -2.686 18.940 6.301 587 1HZ LYS 78 1HZ LYS 78 -4.030 18.239 8.846 588 2HZ LYS 78 2HZ LYS 78 -4.396 19.652 7.976 589 3HZ LYS 78 3HZ LYS 78 -2.829 19.409 8.588 590 H ASP 79 H ASP 79 -5.134 12.291 7.227 591 HA ASP 79 HA ASP 79 -4.431 12.657 10.062 592 1HB ASP 79 2HB ASP 79 -6.932 13.219 9.725 593 2HB ASP 79 1HB ASP 79 -7.144 11.495 9.426 594 HA PRO 80 HA PRO 80 -3.424 8.544 8.059 595 1HB PRO 80 2HB PRO 80 -0.822 8.769 9.276 596 2HB PRO 80 1HB PRO 80 -1.234 8.811 7.560 597 1HG PRO 80 2HG PRO 80 -0.339 10.981 9.172 598 2HG PRO 80 1HG PRO 80 -0.862 11.042 7.486 599 1HD PRO 80 2HD PRO 80 -2.258 12.011 9.853 600 2HD PRO 80 1HD PRO 80 -2.702 12.221 8.142 601 H GLY 81 H GLY 81 -3.549 9.857 11.212 602 1HA GLY 81 2HA GLY 81 -2.947 7.284 12.551 603 2HA GLY 81 1HA GLY 81 -3.301 8.813 13.359 604 H LYS 82 H LYS 82 -5.513 8.447 10.909 605 HA LYS 82 HA LYS 82 -7.422 6.859 12.555 606 1HB LYS 82 2HB LYS 82 -7.799 9.697 11.583 607 2HB LYS 82 1HB LYS 82 -9.165 8.657 11.984 608 1HG LYS 82 2HG LYS 82 -8.147 8.292 14.248 609 2HG LYS 82 1HG LYS 82 -6.909 9.479 13.834 610 1HD LYS 82 2HD LYS 82 -8.739 11.143 13.401 611 2HD LYS 82 1HD LYS 82 -9.896 9.959 14.009 612 1HE LYS 82 2HE LYS 82 -7.507 10.907 15.607 613 2HE LYS 82 1HE LYS 82 -9.104 11.645 15.728 614 1HZ LYS 82 1HZ LYS 82 -9.207 8.796 15.913 615 2HZ LYS 82 2HZ LYS 82 -9.840 9.972 16.963 616 3HZ LYS 82 3HZ LYS 82 -8.225 9.470 17.120 617 H THR 83 H THR 83 -8.655 5.526 11.288 618 HA THR 83 HA THR 83 -8.137 5.458 8.423 619 HB THR 83 HB THR 83 -9.852 3.592 8.482 620 HG1 THR 83 1HG THR 83 -9.927 3.136 11.030 621 1HG2 THR 83 1HG2 THR 83 -8.398 2.073 9.779 622 2HG2 THR 83 2HG2 THR 83 -7.584 3.467 10.489 623 3HG2 THR 83 3HG2 THR 83 -7.449 3.152 8.758 624 H CYS 84 H CYS 84 -9.820 5.661 6.775 625 HA CYS 84 HA CYS 84 -11.710 7.835 7.428 626 1HB CYS 84 2HB CYS 84 -10.364 6.827 5.029 627 2HB CYS 84 1HB CYS 84 -12.070 7.166 4.744 628 H ASP 85 H ASP 85 -13.821 7.397 5.770 629 HA ASP 85 HA ASP 85 -15.365 5.436 7.211 630 1HB ASP 85 2HB ASP 85 -16.226 7.554 6.057 631 2HB ASP 85 1HB ASP 85 -16.109 6.653 4.545 632 H VAL 86 H VAL 86 -15.826 3.328 6.683 633 HA VAL 86 HA VAL 86 -14.861 2.306 4.041 634 HB VAL 86 HB VAL 86 -14.676 0.693 6.585 635 1HG1 VAL 86 1HG1 VAL 86 -13.296 0.585 3.886 636 2HG1 VAL 86 2HG1 VAL 86 -14.509 -0.543 4.488 637 3HG1 VAL 86 3HG1 VAL 86 -12.918 -0.474 5.243 638 1HG2 VAL 86 1HG2 VAL 86 -12.234 1.365 6.579 639 2HG2 VAL 86 2HG2 VAL 86 -13.345 2.653 7.042 640 3HG2 VAL 86 3HG2 VAL 86 -12.653 2.625 5.420 641 H THR 87 H THR 87 -15.906 0.120 3.551 642 HA THR 87 HA THR 87 -18.560 -0.213 4.856 643 HB THR 87 HB THR 87 -18.155 0.011 1.858 644 HG1 THR 87 1HG THR 87 -19.846 1.766 2.584 645 1HG2 THR 87 1HG2 THR 87 -20.596 -0.503 3.575 646 2HG2 THR 87 2HG2 THR 87 -19.896 -1.584 2.369 647 3HG2 THR 87 3HG2 THR 87 -20.670 -0.082 1.863 648 H GLY 88 H GLY 88 -16.129 -1.477 2.609 649 1HA GLY 88 2HA GLY 88 -15.781 -3.986 3.643 650 2HA GLY 88 1HA GLY 88 -17.261 -4.178 2.704 651 H TRP 89 H TRP 89 -15.126 -5.665 1.911 652 HA TRP 89 HA TRP 89 -13.972 -4.198 -0.429 653 1HB TRP 89 2HB TRP 89 -12.985 -6.875 0.528 654 2HB TRP 89 1HB TRP 89 -12.107 -5.609 -0.330 655 HD1 TRP 89 HD TRP 89 -12.997 -3.189 1.579 656 HE1 TRP 89 1HE TRP 89 -11.929 -2.998 3.916 657 HE3 TRP 89 3HE TRP 89 -11.400 -7.999 2.215 658 HZ2 TRP 89 2HZ TRP 89 -10.575 -4.663 5.805 659 HZ3 TRP 89 3HZ TRP 89 -10.224 -8.667 4.291 660 HH2 TRP 89 HH TRP 89 -9.810 -7.007 6.086 661 H VAL 90 H VAL 90 -13.858 -5.449 -2.468 662 HA VAL 90 HA VAL 90 -15.702 -7.764 -2.655 663 HB VAL 90 HB VAL 90 -16.018 -5.309 -4.401 664 1HG1 VAL 90 1HG1 VAL 90 -16.658 -7.332 -5.557 665 2HG1 VAL 90 2HG1 VAL 90 -18.137 -6.520 -5.044 666 3HG1 VAL 90 3HG1 VAL 90 -17.541 -7.916 -4.147 667 1HG2 VAL 90 1HG2 VAL 90 -16.802 -4.753 -2.184 668 2HG2 VAL 90 2HG2 VAL 90 -17.619 -6.309 -2.029 669 3HG2 VAL 90 3HG2 VAL 90 -18.221 -5.108 -3.171 670 H LEU 91 H LEU 91 -15.329 -9.031 -4.561 671 HA LEU 91 HA LEU 91 -12.666 -9.234 -5.439 672 1HB LEU 91 2HB LEU 91 -15.279 -10.132 -6.655 673 2HB LEU 91 1HB LEU 91 -13.745 -10.443 -7.468 674 HG LEU 91 HG LEU 91 -12.907 -11.601 -5.458 675 1HD1 LEU 91 1HD1 LEU 91 -14.703 -12.150 -3.696 676 2HD1 LEU 91 2HD1 LEU 91 -15.619 -10.810 -4.386 677 3HD1 LEU 91 3HD1 LEU 91 -14.034 -10.518 -3.668 678 1HD2 LEU 91 1HD2 LEU 91 -14.202 -13.596 -5.715 679 2HD2 LEU 91 2HD2 LEU 91 -14.283 -12.770 -7.270 680 3HD2 LEU 91 3HD2 LEU 91 -15.646 -12.684 -6.155 Start of MODEL 19 1 1H GLN 1 1HT GLN 1 -4.597 -4.629 -13.052 2 2H GLN 1 2HT GLN 1 -3.851 -4.572 -11.526 3 3H GLN 1 3HT GLN 1 -3.899 -6.030 -12.397 4 HA GLN 1 HA GLN 1 -1.968 -5.559 -13.334 5 1HB GLN 1 2HB GLN 1 -3.680 -3.305 -14.324 6 2HB GLN 1 1HB GLN 1 -1.947 -3.237 -14.640 7 1HG GLN 1 2HG GLN 1 -3.236 -4.354 -16.474 8 2HG GLN 1 1HG GLN 1 -2.011 -5.398 -15.752 9 1HE2 GLN 1 1HE2 GLN 1 -5.193 -5.425 -16.753 10 2HE2 GLN 1 2HE2 GLN 1 -5.788 -6.659 -15.751 11 H CYS 2 H CYS 2 -0.096 -4.934 -12.374 12 HA CYS 2 HA CYS 2 0.020 -3.395 -10.022 13 1HB CYS 2 2HB CYS 2 1.814 -4.935 -11.069 14 2HB CYS 2 1HB CYS 2 2.312 -3.513 -11.985 15 H TYR 3 H TYR 3 1.429 -1.295 -9.893 16 HA TYR 3 HA TYR 3 0.924 0.547 -12.161 17 1HB TYR 3 2HB TYR 3 -0.003 2.234 -10.460 18 2HB TYR 3 1HB TYR 3 -1.079 0.918 -10.928 19 HD1 TYR 3 1HD TYR 3 -1.436 -1.016 -9.412 20 HD2 TYR 3 2HD TYR 3 0.903 2.386 -8.230 21 HE1 TYR 3 1HE TYR 3 -1.592 -1.733 -7.043 22 HE2 TYR 3 2HE TYR 3 0.747 1.670 -5.861 23 HH TYR 3 HH TYR 3 0.341 -0.348 -4.575 24 H PHE 4 H PHE 4 2.329 2.363 -12.138 25 HA PHE 4 HA PHE 4 4.573 2.150 -10.166 26 1HB PHE 4 2HB PHE 4 4.421 2.846 -13.072 27 2HB PHE 4 1HB PHE 4 5.646 3.666 -12.103 28 HD1 PHE 4 1HD PHE 4 4.296 0.259 -12.878 29 HD2 PHE 4 2HD PHE 4 7.669 2.587 -11.590 30 HE1 PHE 4 1HE PHE 4 5.728 -1.763 -12.969 31 HE2 PHE 4 2HE PHE 4 9.101 0.564 -11.682 32 HZ PHE 4 HZ PHE 4 8.130 -1.611 -12.371 33 H ILE 5 H ILE 5 5.036 3.914 -8.906 34 HA ILE 5 HA ILE 5 3.505 6.428 -9.443 35 HB ILE 5 HB ILE 5 4.321 5.351 -6.737 36 1HG1 ILE 5 2HG1 ILE 5 1.613 5.304 -8.108 37 2HG1 ILE 5 1HG1 ILE 5 2.642 3.897 -7.843 38 1HG2 ILE 5 1HG2 ILE 5 2.378 7.543 -7.521 39 2HG2 ILE 5 2HG2 ILE 5 4.024 7.827 -6.955 40 3HG2 ILE 5 3HG2 ILE 5 2.837 7.085 -5.881 41 1HD1 ILE 5 1HD1 ILE 5 1.415 5.656 -5.700 42 2HD1 ILE 5 2HD1 ILE 5 2.547 4.341 -5.385 43 3HD1 ILE 5 3HD1 ILE 5 0.964 3.994 -6.078 44 HA PRO 6 HA PRO 6 7.697 8.052 -9.749 45 1HB PRO 6 2HB PRO 6 6.725 10.730 -9.322 46 2HB PRO 6 1HB PRO 6 7.230 9.978 -10.838 47 1HG PRO 6 2HG PRO 6 4.565 10.634 -9.993 48 2HG PRO 6 1HG PRO 6 5.075 9.905 -11.518 49 1HD PRO 6 2HD PRO 6 3.669 8.641 -9.350 50 2HD PRO 6 1HD PRO 6 4.229 7.895 -10.869 51 H ASN 7 H ASN 7 9.269 8.942 -8.297 52 HA ASN 7 HA ASN 7 8.828 8.520 -5.525 53 1HB ASN 7 2HB ASN 7 11.066 8.585 -6.702 54 2HB ASN 7 1HB ASN 7 10.926 10.343 -6.727 55 1HD2 ASN 7 1HD2 ASN 7 10.305 7.802 -4.226 56 2HD2 ASN 7 2HD2 ASN 7 11.193 8.584 -3.009 57 H GLN 8 H GLN 8 8.427 9.988 -3.820 58 HA GLN 8 HA GLN 8 7.717 12.784 -4.608 59 1HB GLN 8 2HB GLN 8 5.837 12.528 -2.839 60 2HB GLN 8 1HB GLN 8 5.578 11.798 -4.423 61 1HG GLN 8 2HG GLN 8 6.886 10.160 -2.274 62 2HG GLN 8 1HG GLN 8 5.139 10.394 -2.222 63 1HE2 GLN 8 1HE2 GLN 8 3.850 9.483 -3.978 64 2HE2 GLN 8 2HE2 GLN 8 4.501 8.335 -5.046 65 H SER 9 H SER 9 9.839 11.073 -2.951 66 HA SER 9 HA SER 9 10.091 13.147 -0.841 67 1HB SER 9 2HB SER 9 9.962 10.164 -0.360 68 2HB SER 9 1HB SER 9 10.688 11.276 0.796 69 HG SER 9 HG SER 9 8.077 10.768 0.273 70 H LEU 10 H LEU 10 12.168 13.854 -0.799 71 HA LEU 10 HA LEU 10 14.216 12.302 -2.273 72 1HB LEU 10 2HB LEU 10 13.665 15.067 -1.928 73 2HB LEU 10 1HB LEU 10 15.202 14.774 -1.119 74 HG LEU 10 HG LEU 10 14.618 13.799 -3.927 75 1HD1 LEU 10 1HD1 LEU 10 15.944 15.751 -4.686 76 2HD1 LEU 10 2HD1 LEU 10 15.990 16.349 -3.028 77 3HD1 LEU 10 3HD1 LEU 10 14.453 16.248 -3.886 78 1HD2 LEU 10 1HD2 LEU 10 17.000 13.476 -4.046 79 2HD2 LEU 10 2HD2 LEU 10 16.472 12.755 -2.526 80 3HD2 LEU 10 3HD2 LEU 10 17.252 14.336 -2.527 81 H LYS 11 H LYS 11 13.172 11.525 0.426 82 HA LYS 11 HA LYS 11 14.815 12.084 2.580 83 1HB LYS 11 2HB LYS 11 13.422 9.600 1.656 84 2HB LYS 11 1HB LYS 11 14.540 9.460 3.010 85 1HG LYS 11 2HG LYS 11 13.328 11.281 4.183 86 2HG LYS 11 1HG LYS 11 12.187 11.367 2.840 87 1HD LYS 11 2HD LYS 11 11.779 8.859 3.250 88 2HD LYS 11 1HD LYS 11 12.610 9.098 4.788 89 1HE LYS 11 2HE LYS 11 10.995 10.899 5.355 90 2HE LYS 11 1HE LYS 11 10.139 10.583 3.847 91 1HZ LYS 11 1HZ LYS 11 9.988 9.194 6.317 92 2HZ LYS 11 2HZ LYS 11 10.431 8.133 5.066 93 3HZ LYS 11 3HZ LYS 11 9.004 9.047 4.944 94 HA PRO 12 HA PRO 12 18.981 10.971 1.656 95 1HB PRO 12 2HB PRO 12 19.360 9.287 3.964 96 2HB PRO 12 1HB PRO 12 19.891 10.954 3.723 97 1HG PRO 12 2HG PRO 12 17.699 9.968 5.350 98 2HG PRO 12 1HG PRO 12 18.354 11.605 5.254 99 1HD PRO 12 2HD PRO 12 15.845 10.752 4.268 100 2HD PRO 12 1HD PRO 12 16.645 12.300 3.903 101 H ASN 13 H ASN 13 17.130 8.168 2.932 102 HA ASN 13 HA ASN 13 17.868 6.621 0.567 103 1HB ASN 13 2HB ASN 13 18.904 5.943 3.320 104 2HB ASN 13 1HB ASN 13 18.762 4.730 2.048 105 1HD2 ASN 13 1HD2 ASN 13 20.682 7.393 3.206 106 2HD2 ASN 13 2HD2 ASN 13 21.816 7.391 1.944 107 H GLU 14 H GLU 14 15.367 7.500 1.541 108 HA GLU 14 HA GLU 14 14.081 4.864 2.049 109 1HB GLU 14 2HB GLU 14 13.709 7.399 3.646 110 2HB GLU 14 1HB GLU 14 12.465 6.151 3.591 111 1HG GLU 14 2HG GLU 14 13.932 4.516 4.526 112 2HG GLU 14 1HG GLU 14 15.338 5.559 4.310 113 H CYS 15 H CYS 15 11.618 5.135 1.718 114 HA CYS 15 HA CYS 15 11.023 7.210 -0.345 115 1HB CYS 15 2HB CYS 15 9.769 5.365 -1.602 116 2HB CYS 15 1HB CYS 15 11.529 5.300 -1.686 117 H GLN 16 H GLN 16 9.394 8.335 0.602 118 HA GLN 16 HA GLN 16 7.392 6.865 2.246 119 1HB GLN 16 2HB GLN 16 8.599 8.987 3.063 120 2HB GLN 16 1HB GLN 16 7.591 9.861 1.908 121 1HG GLN 16 2HG GLN 16 5.596 8.647 3.010 122 2HG GLN 16 1HG GLN 16 6.720 8.259 4.314 123 1HE2 GLN 16 1HE2 GLN 16 8.114 10.418 4.920 124 2HE2 GLN 16 2HE2 GLN 16 7.155 11.797 5.172 125 H ASP 17 H ASP 17 5.240 6.774 1.647 126 HA ASP 17 HA ASP 17 4.417 8.246 -0.819 127 1HB ASP 17 2HB ASP 17 5.058 5.747 -1.181 128 2HB ASP 17 1HB ASP 17 3.557 5.396 -0.323 129 H LEU 18 H LEU 18 1.987 8.332 -0.989 130 HA LEU 18 HA LEU 18 0.014 9.085 0.065 131 1HB LEU 18 2HB LEU 18 0.401 6.689 1.864 132 2HB LEU 18 1HB LEU 18 -1.108 7.371 1.260 133 HG LEU 18 HG LEU 18 1.011 5.958 -0.385 134 1HD1 LEU 18 1HD1 LEU 18 -0.368 4.417 0.899 135 2HD1 LEU 18 2HD1 LEU 18 -0.867 4.354 -0.793 136 3HD1 LEU 18 3HD1 LEU 18 -1.837 5.247 0.380 137 1HD2 LEU 18 1HD2 LEU 18 -0.813 6.222 -2.186 138 2HD2 LEU 18 2HD2 LEU 18 0.120 7.663 -1.786 139 3HD2 LEU 18 3HD2 LEU 18 -1.507 7.457 -1.136 140 H LYS 19 H LYS 19 -0.559 8.382 2.949 141 HA LYS 19 HA LYS 19 1.272 10.404 4.183 142 1HB LYS 19 2HB LYS 19 -1.408 10.679 3.840 143 2HB LYS 19 1HB LYS 19 -1.384 9.898 5.417 144 1HG LYS 19 2HG LYS 19 -1.145 12.054 6.161 145 2HG LYS 19 1HG LYS 19 0.555 11.752 5.819 146 1HD LYS 19 2HD LYS 19 -1.348 12.906 3.760 147 2HD LYS 19 1HD LYS 19 -0.411 13.913 4.859 148 1HE LYS 19 2HE LYS 19 0.651 11.994 2.770 149 2HE LYS 19 1HE LYS 19 0.841 13.744 2.814 150 1HZ LYS 19 1HZ LYS 19 2.718 13.395 3.910 151 2HZ LYS 19 2HZ LYS 19 2.393 11.739 4.101 152 3HZ LYS 19 3HZ LYS 19 1.796 12.860 5.229 153 H GLY 20 H GLY 20 0.825 7.170 4.132 154 1HA GLY 20 2HA GLY 20 1.829 6.921 6.917 155 2HA GLY 20 1HA GLY 20 0.404 5.982 6.480 156 H VAL 21 H VAL 21 3.023 6.585 4.198 157 HA VAL 21 HA VAL 21 3.716 3.672 4.378 158 HB VAL 21 HB VAL 21 3.941 5.494 1.971 159 1HG1 VAL 21 1HG1 VAL 21 4.205 3.232 0.822 160 2HG1 VAL 21 2HG1 VAL 21 4.422 2.544 2.431 161 3HG1 VAL 21 3HG1 VAL 21 5.564 3.743 1.824 162 1HG2 VAL 21 1HG2 VAL 21 1.986 3.225 2.403 163 2HG2 VAL 21 2HG2 VAL 21 1.971 4.438 1.122 164 3HG2 VAL 21 3HG2 VAL 21 1.581 4.900 2.778 165 H SER 22 H SER 22 6.004 3.165 3.878 166 HA SER 22 HA SER 22 8.059 5.078 3.583 167 1HB SER 22 2HB SER 22 7.721 6.111 5.637 168 2HB SER 22 1HB SER 22 7.124 4.638 6.395 169 HG SER 22 HG SER 22 9.509 5.602 6.600 170 H HIS 23 H HIS 23 9.650 3.794 2.795 171 HA HIS 23 HA HIS 23 10.405 1.349 4.268 172 1HB HIS 23 2HB HIS 23 9.392 1.368 1.418 173 2HB HIS 23 1HB HIS 23 10.388 0.059 2.055 174 HD1 HIS 23 1HD HIS 23 6.989 0.750 1.524 175 HD2 HIS 23 2HD HIS 23 9.085 -0.745 4.802 176 HE1 HIS 23 1HE HIS 23 5.291 -0.443 2.977 177 HA PRO 24 HA PRO 24 14.472 2.726 3.140 178 1HB PRO 24 2HB PRO 24 15.457 0.082 2.561 179 2HB PRO 24 1HB PRO 24 15.707 1.047 4.019 180 1HG PRO 24 2HG PRO 24 14.007 -1.265 3.665 181 2HG PRO 24 1HG PRO 24 14.361 -0.376 5.150 182 1HD PRO 24 2HD PRO 24 11.895 -0.401 3.725 183 2HD PRO 24 1HD PRO 24 12.327 0.652 5.094 184 H LEU 25 H LEU 25 15.544 3.310 1.231 185 HA LEU 25 HA LEU 25 14.259 2.652 -1.278 186 1HB LEU 25 2HB LEU 25 16.451 4.443 -0.375 187 2HB LEU 25 1HB LEU 25 16.553 3.901 -2.048 188 HG LEU 25 HG LEU 25 13.958 4.983 -0.956 189 1HD1 LEU 25 1HD1 LEU 25 15.783 6.647 -0.506 190 2HD1 LEU 25 2HD1 LEU 25 14.592 7.219 -1.672 191 3HD1 LEU 25 3HD1 LEU 25 16.161 6.636 -2.228 192 1HD2 LEU 25 1HD2 LEU 25 13.440 5.339 -3.247 193 2HD2 LEU 25 2HD2 LEU 25 14.256 3.777 -3.229 194 3HD2 LEU 25 3HD2 LEU 25 15.130 5.221 -3.733 195 H ASN 26 H ASN 26 15.842 2.018 -3.185 196 HA ASN 26 HA ASN 26 16.941 0.158 -4.126 197 1HB ASN 26 2HB ASN 26 18.780 1.657 -3.139 198 2HB ASN 26 1HB ASN 26 18.850 0.501 -1.808 199 1HD2 ASN 26 1HD2 ASN 26 17.978 -1.538 -4.121 200 2HD2 ASN 26 2HD2 ASN 26 19.478 -1.951 -4.798 201 H SER 27 H SER 27 14.914 -0.980 -2.989 202 HA SER 27 HA SER 27 15.866 -3.511 -2.016 203 1HB SER 27 2HB SER 27 14.783 -1.546 0.004 204 2HB SER 27 1HB SER 27 14.648 -3.283 0.256 205 HG SER 27 HG SER 27 16.604 -3.074 1.001 206 H VAL 28 H VAL 28 14.104 -5.038 -1.812 207 HA VAL 28 HA VAL 28 11.424 -3.977 -2.603 208 HB VAL 28 HB VAL 28 12.064 -4.821 -4.660 209 1HG1 VAL 28 1HG1 VAL 28 14.292 -5.531 -4.073 210 2HG1 VAL 28 2HG1 VAL 28 13.501 -6.881 -4.885 211 3HG1 VAL 28 3HG1 VAL 28 13.665 -6.883 -3.130 212 1HG2 VAL 28 1HG2 VAL 28 11.228 -7.424 -3.365 213 2HG2 VAL 28 2HG2 VAL 28 10.961 -6.913 -5.030 214 3HG2 VAL 28 3HG2 VAL 28 10.089 -6.125 -3.718 215 H TRP 29 H TRP 29 9.667 -5.445 -2.051 216 HA TRP 29 HA TRP 29 10.293 -7.644 -0.181 217 1HB TRP 29 2HB TRP 29 8.570 -6.577 1.459 218 2HB TRP 29 1HB TRP 29 10.223 -5.960 1.460 219 HD1 TRP 29 HD TRP 29 6.669 -5.020 0.563 220 HE1 TRP 29 1HE TRP 29 6.584 -2.518 -0.054 221 HE3 TRP 29 3HE TRP 29 11.665 -3.975 0.420 222 HZ2 TRP 29 2HZ TRP 29 8.395 -0.361 -0.548 223 HZ3 TRP 29 3HZ TRP 29 12.456 -1.692 -0.126 224 HH2 TRP 29 HH TRP 29 10.830 0.115 -0.610 225 H LYS 30 H LYS 30 8.947 -9.273 -0.717 226 HA LYS 30 HA LYS 30 6.284 -8.587 -1.909 227 1HB LYS 30 2HB LYS 30 8.171 -10.890 -2.444 228 2HB LYS 30 1HB LYS 30 6.487 -10.892 -2.973 229 1HG LYS 30 2HG LYS 30 6.816 -9.043 -4.413 230 2HG LYS 30 1HG LYS 30 8.333 -8.598 -3.633 231 1HD LYS 30 2HD LYS 30 8.690 -9.706 -5.832 232 2HD LYS 30 1HD LYS 30 9.410 -10.609 -4.498 233 1HE LYS 30 2HE LYS 30 7.654 -12.216 -4.500 234 2HE LYS 30 1HE LYS 30 6.627 -11.204 -5.516 235 1HZ LYS 30 1HZ LYS 30 8.480 -13.135 -6.316 236 2HZ LYS 30 2HZ LYS 30 9.059 -11.626 -6.841 237 3HZ LYS 30 3HZ LYS 30 7.507 -12.148 -7.295 238 H THR 31 H THR 31 5.031 -8.706 -0.031 239 HA THR 31 HA THR 31 5.370 -10.698 2.006 240 HB THR 31 HB THR 31 3.312 -9.887 2.910 241 HG1 THR 31 1HG THR 31 2.463 -9.990 0.526 242 1HG2 THR 31 1HG2 THR 31 5.246 -8.254 2.746 243 2HG2 THR 31 2HG2 THR 31 3.657 -7.513 2.924 244 3HG2 THR 31 3HG2 THR 31 4.436 -7.557 1.343 245 H LYS 32 H LYS 32 5.477 -12.753 0.985 246 HA LYS 32 HA LYS 32 4.641 -14.687 -0.065 247 1HB LYS 32 2HB LYS 32 2.347 -13.584 1.546 248 2HB LYS 32 1HB LYS 32 2.119 -15.033 0.568 249 1HG LYS 32 2HG LYS 32 4.513 -14.889 2.374 250 2HG LYS 32 1HG LYS 32 2.935 -15.218 3.089 251 1HD LYS 32 2HD LYS 32 2.626 -17.172 1.735 252 2HD LYS 32 1HD LYS 32 4.016 -16.771 0.726 253 1HE LYS 32 2HE LYS 32 4.636 -18.519 2.322 254 2HE LYS 32 1HE LYS 32 5.496 -17.029 2.709 255 1HZ LYS 32 1HZ LYS 32 3.250 -18.297 4.116 256 2HZ LYS 32 2HZ LYS 32 3.446 -16.612 4.215 257 3HZ LYS 32 3HZ LYS 32 4.683 -17.647 4.748 258 H ASP 33 H ASP 33 1.464 -13.314 -0.347 259 HA ASP 33 HA ASP 33 1.904 -12.452 -3.136 260 1HB ASP 33 2HB ASP 33 1.519 -14.885 -3.333 261 2HB ASP 33 1HB ASP 33 0.015 -14.718 -2.426 262 H CYS 34 H CYS 34 0.769 -11.650 -0.307 263 HA CYS 34 HA CYS 34 -1.987 -10.902 -0.978 264 1HB CYS 34 2HB CYS 34 -0.186 -10.384 1.394 265 2HB CYS 34 1HB CYS 34 -1.772 -9.627 1.247 266 H GLU 35 H GLU 35 1.189 -9.378 -0.894 267 HA GLU 35 HA GLU 35 0.178 -7.174 -2.532 268 1HB GLU 35 2HB GLU 35 -0.422 -6.350 -0.309 269 2HB GLU 35 1HB GLU 35 1.210 -6.666 0.275 270 1HG GLU 35 2HG GLU 35 2.143 -5.002 -1.194 271 2HG GLU 35 1HG GLU 35 0.602 -4.801 -2.028 272 H GLU 36 H GLU 36 1.920 -5.909 -3.422 273 HA GLU 36 HA GLU 36 4.677 -6.921 -2.876 274 1HB GLU 36 2HB GLU 36 3.831 -6.269 -5.691 275 2HB GLU 36 1HB GLU 36 5.142 -7.310 -5.137 276 1HG GLU 36 2HG GLU 36 2.176 -7.917 -4.938 277 2HG GLU 36 1HG GLU 36 3.322 -8.675 -6.044 278 H CYS 37 H CYS 37 6.194 -5.244 -2.821 279 HA CYS 37 HA CYS 37 5.523 -2.659 -4.054 280 1HB CYS 37 2HB CYS 37 5.360 -3.175 -1.136 281 2HB CYS 37 1HB CYS 37 6.161 -1.680 -1.616 282 H THR 38 H THR 38 7.337 -1.706 -4.787 283 HA THR 38 HA THR 38 9.949 -2.367 -3.505 284 HB THR 38 HB THR 38 10.928 -2.989 -5.517 285 HG1 THR 38 1HG THR 38 10.310 -1.104 -6.626 286 1HG2 THR 38 1HG2 THR 38 8.091 -3.719 -6.226 287 2HG2 THR 38 2HG2 THR 38 8.931 -4.486 -4.878 288 3HG2 THR 38 3HG2 THR 38 9.565 -4.644 -6.516 289 H CYS 39 H CYS 39 11.429 -0.624 -3.543 290 HA CYS 39 HA CYS 39 10.284 1.971 -4.502 291 1HB CYS 39 2HB CYS 39 12.105 1.247 -2.215 292 2HB CYS 39 1HB CYS 39 12.106 2.886 -2.870 293 H GLY 40 H GLY 40 11.151 2.466 -6.458 294 1HA GLY 40 2HA GLY 40 13.860 1.560 -7.171 295 2HA GLY 40 1HA GLY 40 12.742 2.422 -8.230 296 H GLN 41 H GLN 41 15.579 3.027 -7.712 297 HA GLN 41 HA GLN 41 15.778 5.306 -5.980 298 1HB GLN 41 2HB GLN 41 17.701 3.882 -6.841 299 2HB GLN 41 1HB GLN 41 17.525 4.725 -8.381 300 1HG GLN 41 2HG GLN 41 18.032 6.845 -7.377 301 2HG GLN 41 1HG GLN 41 17.917 6.173 -5.752 302 1HE2 GLN 41 1HE2 GLN 41 20.120 6.575 -5.134 303 2HE2 GLN 41 2HE2 GLN 41 21.435 5.805 -5.883 304 H ASP 42 H ASP 42 14.157 4.928 -8.882 305 HA ASP 42 HA ASP 42 14.264 7.880 -9.390 306 1HB ASP 42 2HB ASP 42 15.427 6.420 -11.143 307 2HB ASP 42 1HB ASP 42 13.824 5.796 -11.537 308 H ALA 43 H ALA 43 12.365 5.027 -8.931 309 HA ALA 43 HA ALA 43 9.933 6.647 -8.774 310 1HB ALA 43 1HB ALA 43 8.686 5.519 -10.498 311 2HB ALA 43 2HB ALA 43 10.009 4.393 -10.797 312 3HB ALA 43 3HB ALA 43 10.182 6.092 -11.236 313 H ILE 44 H ILE 44 7.999 4.995 -8.387 314 HA ILE 44 HA ILE 44 9.032 2.794 -6.632 315 HB ILE 44 HB ILE 44 6.617 4.590 -6.244 316 1HG1 ILE 44 2HG1 ILE 44 9.092 4.191 -4.533 317 2HG1 ILE 44 1HG1 ILE 44 8.885 5.525 -5.665 318 1HG2 ILE 44 1HG2 ILE 44 6.003 2.392 -5.502 319 2HG2 ILE 44 2HG2 ILE 44 6.454 3.295 -4.057 320 3HG2 ILE 44 3HG2 ILE 44 7.581 2.135 -4.757 321 1HD1 ILE 44 1HD1 ILE 44 7.851 5.250 -2.976 322 2HD1 ILE 44 2HD1 ILE 44 6.524 5.485 -4.114 323 3HD1 ILE 44 3HD1 ILE 44 7.834 6.662 -4.030 324 H SER 45 H SER 45 7.604 0.912 -6.498 325 HA SER 45 HA SER 45 5.510 0.726 -8.599 326 1HB SER 45 2HB SER 45 6.470 -1.124 -9.687 327 2HB SER 45 1HB SER 45 7.857 -0.079 -9.403 328 HG SER 45 HG SER 45 7.061 -2.424 -8.063 329 H CYS 46 H CYS 46 3.751 -0.257 -7.732 330 HA CYS 46 HA CYS 46 4.159 -2.314 -5.619 331 1HB CYS 46 2HB CYS 46 2.578 0.234 -5.383 332 2HB CYS 46 1HB CYS 46 2.090 -1.196 -4.474 333 H CYS 47 H CYS 47 2.766 -4.008 -5.791 334 HA CYS 47 HA CYS 47 0.506 -3.746 -7.743 335 1HB CYS 47 2HB CYS 47 1.916 -6.359 -7.281 336 2HB CYS 47 1HB CYS 47 1.035 -5.804 -8.705 337 H ASN 48 H ASN 48 -1.455 -4.490 -7.014 338 HA ASN 48 HA ASN 48 -1.498 -5.746 -4.291 339 1HB ASN 48 2HB ASN 48 -3.787 -4.816 -4.109 340 2HB ASN 48 1HB ASN 48 -2.598 -3.545 -4.399 341 1HD2 ASN 48 1HD2 ASN 48 -4.960 -2.643 -5.151 342 2HD2 ASN 48 2HD2 ASN 48 -5.247 -2.789 -6.818 343 H THR 49 H THR 49 -3.027 -7.474 -3.946 344 HA THR 49 HA THR 49 -4.224 -8.661 -6.407 345 HB THR 49 HB THR 49 -3.270 -10.797 -6.025 346 HG1 THR 49 1HG THR 49 -3.040 -9.808 -3.477 347 1HG2 THR 49 1HG2 THR 49 -1.099 -8.812 -5.302 348 2HG2 THR 49 2HG2 THR 49 -1.680 -9.105 -6.941 349 3HG2 THR 49 3HG2 THR 49 -0.870 -10.394 -6.049 350 H ALA 50 H ALA 50 -4.911 -7.401 -3.562 351 HA ALA 50 HA ALA 50 -6.783 -9.560 -2.683 352 1HB ALA 50 1HB ALA 50 -5.248 -8.564 -0.974 353 2HB ALA 50 2HB ALA 50 -6.954 -8.336 -0.585 354 3HB ALA 50 3HB ALA 50 -6.014 -7.000 -1.250 355 H ALA 51 H ALA 51 -8.958 -8.649 -1.875 356 HA ALA 51 HA ALA 51 -10.367 -7.451 -4.013 357 1HB ALA 51 1HB ALA 51 -11.470 -8.707 -2.194 358 2HB ALA 51 2HB ALA 51 -12.193 -7.110 -2.389 359 3HB ALA 51 3HB ALA 51 -11.071 -7.414 -1.062 360 H ILE 52 H ILE 52 -11.430 -5.284 -4.016 361 HA ILE 52 HA ILE 52 -9.628 -3.215 -2.830 362 HB ILE 52 HB ILE 52 -10.790 -3.587 -5.505 363 1HG1 ILE 52 2HG1 ILE 52 -8.941 -1.963 -6.062 364 2HG1 ILE 52 1HG1 ILE 52 -8.576 -1.875 -4.339 365 1HG2 ILE 52 1HG2 ILE 52 -11.085 -1.105 -5.879 366 2HG2 ILE 52 2HG2 ILE 52 -11.066 -0.900 -4.129 367 3HG2 ILE 52 3HG2 ILE 52 -12.342 -1.849 -4.892 368 1HD1 ILE 52 1HD1 ILE 52 -7.114 -3.527 -5.369 369 2HD1 ILE 52 2HD1 ILE 52 -8.498 -4.358 -6.078 370 3HD1 ILE 52 3HD1 ILE 52 -8.268 -4.361 -4.330 371 HA PRO 53 HA PRO 53 -13.121 -1.991 -0.344 372 1HB PRO 53 2HB PRO 53 -12.369 0.789 -0.421 373 2HB PRO 53 1HB PRO 53 -12.136 -0.372 0.889 374 1HG PRO 53 2HG PRO 53 -10.155 0.722 -0.898 375 2HG PRO 53 1HG PRO 53 -9.915 -0.378 0.463 376 1HD PRO 53 2HD PRO 53 -9.680 -0.996 -2.320 377 2HD PRO 53 1HD PRO 53 -9.582 -2.130 -0.952 378 H THR 54 H THR 54 -15.209 -1.430 -0.884 379 HA THR 54 HA THR 54 -15.614 0.338 -3.271 380 HB THR 54 HB THR 54 -17.425 -1.062 -4.005 381 HG1 THR 54 1HG THR 54 -17.942 -1.557 -1.687 382 1HG2 THR 54 1HG2 THR 54 -14.980 -1.821 -4.361 383 2HG2 THR 54 2HG2 THR 54 -16.251 -3.011 -4.637 384 3HG2 THR 54 3HG2 THR 54 -15.325 -3.042 -3.137 385 H GLY 55 H GLY 55 -18.126 0.974 -3.255 386 1HA GLY 55 2HA GLY 55 -19.749 2.279 -2.171 387 2HA GLY 55 1HA GLY 55 -19.553 1.165 -0.815 388 H TYR 56 H TYR 56 -16.567 2.447 -1.508 389 HA TYR 56 HA TYR 56 -16.768 4.301 0.794 390 1HB TYR 56 2HB TYR 56 -14.819 3.157 1.167 391 2HB TYR 56 1HB TYR 56 -14.620 2.753 -0.536 392 HD1 TYR 56 1HD TYR 56 -12.943 3.823 -1.760 393 HD2 TYR 56 2HD TYR 56 -14.506 5.719 1.762 394 HE1 TYR 56 1HE TYR 56 -11.271 5.637 -1.996 395 HE2 TYR 56 2HE TYR 56 -12.833 7.535 1.526 396 HH TYR 56 HH TYR 56 -10.228 7.459 0.106 397 H ASP 57 H ASP 57 -17.232 6.393 0.341 398 HA ASP 57 HA ASP 57 -17.031 7.500 -2.318 399 1HB ASP 57 2HB ASP 57 -17.553 9.666 -1.161 400 2HB ASP 57 1HB ASP 57 -18.687 8.374 -0.769 401 H THR 58 H THR 58 -15.298 8.480 -3.268 402 HA THR 58 HA THR 58 -12.798 8.698 -1.707 403 HB THR 58 HB THR 58 -12.353 7.761 -3.800 404 HG1 THR 58 1HG THR 58 -11.127 9.262 -4.783 405 1HG2 THR 58 1HG2 THR 58 -14.379 9.735 -4.865 406 2HG2 THR 58 2HG2 THR 58 -14.498 7.976 -4.836 407 3HG2 THR 58 3HG2 THR 58 -13.348 8.764 -5.916 408 H ASN 59 H ASN 59 -13.414 10.526 -0.379 409 HA ASN 59 HA ASN 59 -13.882 13.094 -1.801 410 1HB ASN 59 2HB ASN 59 -15.248 12.404 0.232 411 2HB ASN 59 1HB ASN 59 -13.782 12.622 1.188 412 1HD2 ASN 59 1HD2 ASN 59 -14.694 14.480 2.338 413 2HD2 ASN 59 2HD2 ASN 59 -14.902 15.977 1.565 414 H LYS 60 H LYS 60 -11.694 11.761 0.700 415 HA LYS 60 HA LYS 60 -9.400 13.089 -0.484 416 1HB LYS 60 2HB LYS 60 -10.681 14.922 0.814 417 2HB LYS 60 1HB LYS 60 -10.160 14.072 2.269 418 1HG LYS 60 2HG LYS 60 -7.787 14.204 1.339 419 2HG LYS 60 1HG LYS 60 -8.420 15.333 0.140 420 1HD LYS 60 2HD LYS 60 -9.366 16.665 2.113 421 2HD LYS 60 1HD LYS 60 -8.350 15.658 3.144 422 1HE LYS 60 2HE LYS 60 -7.532 17.679 1.081 423 2HE LYS 60 1HE LYS 60 -6.929 17.461 2.723 424 1HZ LYS 60 1HZ LYS 60 -5.235 16.502 1.602 425 2HZ LYS 60 2HZ LYS 60 -6.196 16.069 0.268 426 3HZ LYS 60 3HZ LYS 60 -6.241 15.139 1.690 427 H CYS 61 H CYS 61 -9.840 10.429 0.084 428 HA CYS 61 HA CYS 61 -7.899 9.951 2.306 429 1HB CYS 61 2HB CYS 61 -10.446 8.396 1.760 430 2HB CYS 61 1HB CYS 61 -9.206 7.916 2.913 431 H GLN 62 H GLN 62 -7.058 7.576 2.094 432 HA GLN 62 HA GLN 62 -6.781 6.892 -0.814 433 1HB GLN 62 2HB GLN 62 -4.562 6.446 1.178 434 2HB GLN 62 1HB GLN 62 -4.469 6.539 -0.580 435 1HG GLN 62 2HG GLN 62 -3.727 8.662 -0.146 436 2HG GLN 62 1HG GLN 62 -5.453 9.010 -0.050 437 1HE2 GLN 62 1HE2 GLN 62 -6.430 8.970 2.192 438 2HE2 GLN 62 2HE2 GLN 62 -5.444 9.333 3.524 439 H LYS 63 H LYS 63 -5.823 4.581 -0.997 440 HA LYS 63 HA LYS 63 -7.148 2.819 1.036 441 1HB LYS 63 2HB LYS 63 -6.711 1.999 -1.831 442 2HB LYS 63 1HB LYS 63 -7.879 1.376 -0.667 443 1HG LYS 63 2HG LYS 63 -9.302 2.714 -1.895 444 2HG LYS 63 1HG LYS 63 -8.732 3.919 -0.742 445 1HD LYS 63 2HD LYS 63 -8.358 5.041 -2.744 446 2HD LYS 63 1HD LYS 63 -6.797 4.249 -2.529 447 1HE LYS 63 2HE LYS 63 -7.469 3.827 -4.793 448 2HE LYS 63 1HE LYS 63 -7.715 2.320 -3.909 449 1HZ LYS 63 1HZ LYS 63 -9.894 4.291 -4.166 450 2HZ LYS 63 2HZ LYS 63 -9.993 2.622 -3.856 451 3HZ LYS 63 3HZ LYS 63 -9.587 3.179 -5.409 452 H ILE 64 H ILE 64 -5.790 1.365 1.997 453 HA ILE 64 HA ILE 64 -3.185 0.785 0.644 454 HB ILE 64 HB ILE 64 -3.149 2.448 2.657 455 1HG1 ILE 64 2HG1 ILE 64 -1.029 1.352 3.505 456 2HG1 ILE 64 1HG1 ILE 64 -1.420 -0.039 2.493 457 1HG2 ILE 64 1HG2 ILE 64 -4.654 0.824 3.989 458 2HG2 ILE 64 2HG2 ILE 64 -3.280 1.538 4.832 459 3HG2 ILE 64 3HG2 ILE 64 -3.186 -0.121 4.240 460 1HD1 ILE 64 1HD1 ILE 64 -0.671 1.003 0.636 461 2HD1 ILE 64 2HD1 ILE 64 -0.005 2.240 1.699 462 3HD1 ILE 64 3HD1 ILE 64 -1.603 2.457 0.988 463 H LEU 65 H LEU 65 -2.314 -1.308 1.097 464 HA LEU 65 HA LEU 65 -4.368 -3.256 2.044 465 1HB LEU 65 2HB LEU 65 -3.295 -3.345 -0.327 466 2HB LEU 65 1HB LEU 65 -1.875 -3.969 0.505 467 HG LEU 65 HG LEU 65 -4.643 -5.161 0.821 468 1HD1 LEU 65 1HD1 LEU 65 -3.537 -7.013 -0.644 469 2HD1 LEU 65 2HD1 LEU 65 -2.442 -5.729 -1.157 470 3HD1 LEU 65 3HD1 LEU 65 -4.174 -5.577 -1.442 471 1HD2 LEU 65 1HD2 LEU 65 -3.066 -7.155 1.473 472 2HD2 LEU 65 2HD2 LEU 65 -3.353 -5.874 2.648 473 3HD2 LEU 65 3HD2 LEU 65 -1.858 -5.894 1.713 474 H ASN 66 H ASN 66 -4.026 -3.871 4.124 475 HA ASN 66 HA ASN 66 -1.383 -3.645 5.357 476 1HB ASN 66 2HB ASN 66 -3.520 -3.213 6.603 477 2HB ASN 66 1HB ASN 66 -3.897 -4.931 6.466 478 1HD2 ASN 66 1HD2 ASN 66 -0.555 -4.662 6.695 479 2HD2 ASN 66 2HD2 ASN 66 -0.387 -4.886 8.369 480 H LYS 67 H LYS 67 0.138 -5.208 5.147 481 HA LYS 67 HA LYS 67 -0.587 -7.845 4.105 482 1HB LYS 67 2HB LYS 67 1.851 -8.275 4.201 483 2HB LYS 67 1HB LYS 67 1.488 -6.763 3.371 484 1HG LYS 67 2HG LYS 67 3.014 -5.844 4.792 485 2HG LYS 67 1HG LYS 67 1.719 -5.917 5.985 486 1HD LYS 67 2HD LYS 67 2.507 -8.114 6.743 487 2HD LYS 67 1HD LYS 67 3.769 -8.103 5.510 488 1HE LYS 67 2HE LYS 67 4.871 -6.230 6.535 489 2HE LYS 67 1HE LYS 67 3.517 -5.960 7.632 490 1HZ LYS 67 1HZ LYS 67 4.214 -8.564 8.048 491 2HZ LYS 67 2HZ LYS 67 4.612 -7.249 9.050 492 3HZ LYS 67 3HZ LYS 67 5.708 -7.780 7.866 493 H LYS 68 H LYS 68 -0.399 -6.456 7.199 494 HA LYS 68 HA LYS 68 0.669 -8.528 8.788 495 1HB LYS 68 2HB LYS 68 -0.101 -6.259 9.601 496 2HB LYS 68 1HB LYS 68 -1.758 -6.857 9.502 497 1HG LYS 68 2HG LYS 68 -1.183 -8.693 11.059 498 2HG LYS 68 1HG LYS 68 0.462 -8.066 11.177 499 1HD LYS 68 2HD LYS 68 -0.378 -5.958 12.101 500 2HD LYS 68 1HD LYS 68 -2.039 -6.526 11.928 501 1HE LYS 68 2HE LYS 68 0.106 -7.707 13.714 502 2HE LYS 68 1HE LYS 68 -1.360 -6.871 14.229 503 1HZ LYS 68 1HZ LYS 68 -2.310 -8.809 12.608 504 2HZ LYS 68 2HZ LYS 68 -2.238 -8.904 14.303 505 3HZ LYS 68 3HZ LYS 68 -1.006 -9.591 13.357 506 H THR 69 H THR 69 -2.681 -8.055 7.668 507 HA THR 69 HA THR 69 -3.118 -10.994 8.036 508 HB THR 69 HB THR 69 -5.530 -10.341 8.599 509 HG1 THR 69 1HG THR 69 -4.555 -7.926 9.527 510 1HG2 THR 69 1HG2 THR 69 -3.222 -9.670 10.436 511 2HG2 THR 69 2HG2 THR 69 -4.120 -11.186 10.344 512 3HG2 THR 69 3HG2 THR 69 -4.897 -9.738 10.984 513 H CYS 70 H CYS 70 -2.480 -9.134 5.697 514 HA CYS 70 HA CYS 70 -3.200 -8.827 3.480 515 1HB CYS 70 2HB CYS 70 -4.650 -11.420 4.107 516 2HB CYS 70 1HB CYS 70 -4.338 -10.786 2.492 517 H THR 71 H THR 71 -4.500 -6.957 4.363 518 HA THR 71 HA THR 71 -7.367 -7.369 3.697 519 HB THR 71 HB THR 71 -8.204 -6.547 5.715 520 HG1 THR 71 1HG THR 71 -6.451 -5.604 7.206 521 1HG2 THR 71 1HG2 THR 71 -7.049 -8.750 6.024 522 2HG2 THR 71 2HG2 THR 71 -7.135 -7.793 7.502 523 3HG2 THR 71 3HG2 THR 71 -5.627 -7.876 6.593 524 H TYR 72 H TYR 72 -8.480 -5.114 3.680 525 HA TYR 72 HA TYR 72 -6.563 -3.120 2.529 526 1HB TYR 72 2HB TYR 72 -8.964 -4.310 1.450 527 2HB TYR 72 1HB TYR 72 -9.194 -2.571 1.611 528 HD1 TYR 72 1HD TYR 72 -7.426 -1.010 0.635 529 HD2 TYR 72 2HD TYR 72 -7.600 -5.205 -0.270 530 HE1 TYR 72 1HE TYR 72 -6.030 -0.634 -1.379 531 HE2 TYR 72 2HE TYR 72 -6.205 -4.828 -2.285 532 HH TYR 72 HH TYR 72 -4.437 -2.070 -2.804 533 H THR 73 H THR 73 -6.522 -1.159 3.515 534 HA THR 73 HA THR 73 -8.827 -0.419 5.278 535 HB THR 73 HB THR 73 -7.450 0.077 7.057 536 HG1 THR 73 1HG THR 73 -5.960 1.458 6.602 537 1HG2 THR 73 1HG2 THR 73 -5.841 -1.647 7.370 538 2HG2 THR 73 2HG2 THR 73 -5.526 -1.768 5.639 539 3HG2 THR 73 3HG2 THR 73 -7.060 -2.335 6.297 540 H VAL 74 H VAL 74 -9.030 1.937 5.576 541 HA VAL 74 HA VAL 74 -7.903 3.461 3.250 542 HB VAL 74 HB VAL 74 -10.429 4.289 4.650 543 1HG1 VAL 74 1HG1 VAL 74 -9.639 4.312 1.725 544 2HG1 VAL 74 2HG1 VAL 74 -9.292 5.636 2.836 545 3HG1 VAL 74 3HG1 VAL 74 -10.962 5.198 2.481 546 1HG2 VAL 74 1HG2 VAL 74 -10.120 1.991 2.705 547 2HG2 VAL 74 2HG2 VAL 74 -11.649 2.842 2.927 548 3HG2 VAL 74 3HG2 VAL 74 -10.916 1.978 4.278 549 H VAL 75 H VAL 75 -6.590 5.117 3.819 550 HA VAL 75 HA VAL 75 -6.703 6.106 6.643 551 HB VAL 75 HB VAL 75 -4.351 6.953 6.081 552 1HG1 VAL 75 1HG1 VAL 75 -4.840 3.961 5.951 553 2HG1 VAL 75 2HG1 VAL 75 -4.814 4.917 7.433 554 3HG1 VAL 75 3HG1 VAL 75 -3.349 4.749 6.466 555 1HG2 VAL 75 1HG2 VAL 75 -4.689 5.006 3.777 556 2HG2 VAL 75 2HG2 VAL 75 -3.240 5.930 4.173 557 3HG2 VAL 75 3HG2 VAL 75 -4.685 6.761 3.597 558 H GLU 76 H GLU 76 -6.056 8.488 6.831 559 HA GLU 76 HA GLU 76 -7.388 10.023 4.633 560 1HB GLU 76 2HB GLU 76 -6.909 11.089 7.409 561 2HB GLU 76 1HB GLU 76 -8.141 11.562 6.238 562 1HG GLU 76 2HG GLU 76 -9.145 9.261 6.485 563 2HG GLU 76 1HG GLU 76 -8.015 8.973 7.806 564 H LYS 77 H LYS 77 -6.308 11.743 3.705 565 HA LYS 77 HA LYS 77 -3.457 11.777 3.764 566 1HB LYS 77 2HB LYS 77 -5.506 13.755 2.754 567 2HB LYS 77 1HB LYS 77 -3.774 14.034 2.586 568 1HG LYS 77 2HG LYS 77 -4.911 11.402 1.696 569 2HG LYS 77 1HG LYS 77 -5.120 12.812 0.661 570 1HD LYS 77 2HD LYS 77 -2.390 12.229 1.769 571 2HD LYS 77 1HD LYS 77 -2.977 11.279 0.405 572 1HE LYS 77 2HE LYS 77 -2.988 14.308 0.443 573 2HE LYS 77 1HE LYS 77 -1.672 13.351 -0.237 574 1HZ LYS 77 1HZ LYS 77 -3.107 13.842 -2.011 575 2HZ LYS 77 2HZ LYS 77 -4.497 13.449 -1.118 576 3HZ LYS 77 3HZ LYS 77 -3.429 12.226 -1.615 577 H LYS 78 H LYS 78 -5.754 13.196 5.906 578 HA LYS 78 HA LYS 78 -3.582 14.910 7.064 579 1HB LYS 78 2HB LYS 78 -5.859 15.897 6.047 580 2HB LYS 78 1HB LYS 78 -6.450 15.502 7.659 581 1HG LYS 78 2HG LYS 78 -5.658 17.683 7.961 582 2HG LYS 78 1HG LYS 78 -4.273 16.719 8.472 583 1HD LYS 78 2HD LYS 78 -3.234 18.201 7.014 584 2HD LYS 78 1HD LYS 78 -3.614 16.885 5.907 585 1HE LYS 78 2HE LYS 78 -5.866 18.165 5.548 586 2HE LYS 78 1HE LYS 78 -4.992 19.540 6.221 587 1HZ LYS 78 1HZ LYS 78 -3.535 19.592 4.473 588 2HZ LYS 78 2HZ LYS 78 -4.948 19.081 3.681 589 3HZ LYS 78 3HZ LYS 78 -3.745 17.953 4.089 590 H ASP 79 H ASP 79 -4.966 12.038 7.575 591 HA ASP 79 HA ASP 79 -4.479 12.191 10.468 592 1HB ASP 79 2HB ASP 79 -6.989 12.780 9.837 593 2HB ASP 79 1HB ASP 79 -7.135 11.029 9.699 594 HA PRO 80 HA PRO 80 -3.395 8.208 8.240 595 1HB PRO 80 2HB PRO 80 -0.877 8.304 9.635 596 2HB PRO 80 1HB PRO 80 -1.173 8.470 7.902 597 1HG PRO 80 2HG PRO 80 -0.364 10.509 9.722 598 2HG PRO 80 1HG PRO 80 -0.758 10.691 8.010 599 1HD PRO 80 2HD PRO 80 -2.309 11.541 10.322 600 2HD PRO 80 1HD PRO 80 -2.633 11.851 8.598 601 H GLY 81 H GLY 81 -3.722 9.300 11.459 602 1HA GLY 81 2HA GLY 81 -3.246 6.622 12.642 603 2HA GLY 81 1HA GLY 81 -3.604 8.099 13.539 604 H LYS 82 H LYS 82 -5.769 8.353 11.210 605 HA LYS 82 HA LYS 82 -7.805 6.640 12.593 606 1HB LYS 82 2HB LYS 82 -8.000 9.469 11.540 607 2HB LYS 82 1HB LYS 82 -9.427 8.489 11.872 608 1HG LYS 82 2HG LYS 82 -8.667 8.175 14.204 609 2HG LYS 82 1HG LYS 82 -7.251 9.176 13.871 610 1HD LYS 82 2HD LYS 82 -8.578 11.123 13.530 611 2HD LYS 82 1HD LYS 82 -10.067 10.181 13.426 612 1HE LYS 82 2HE LYS 82 -9.758 11.355 15.633 613 2HE LYS 82 1HE LYS 82 -9.942 9.608 15.774 614 1HZ LYS 82 1HZ LYS 82 -8.030 10.813 17.016 615 2HZ LYS 82 2HZ LYS 82 -7.252 10.760 15.506 616 3HZ LYS 82 3HZ LYS 82 -7.736 9.320 16.266 617 H THR 83 H THR 83 -9.303 5.591 11.241 618 HA THR 83 HA THR 83 -8.441 5.280 8.451 619 HB THR 83 HB THR 83 -9.897 3.414 8.373 620 HG1 THR 83 1HG THR 83 -11.293 3.500 10.579 621 1HG2 THR 83 1HG2 THR 83 -9.103 3.648 11.287 622 2HG2 THR 83 2HG2 THR 83 -8.002 3.180 9.991 623 3HG2 THR 83 3HG2 THR 83 -9.385 2.159 10.386 624 H CYS 84 H CYS 84 -10.057 5.455 6.666 625 HA CYS 84 HA CYS 84 -11.686 7.903 7.020 626 1HB CYS 84 2HB CYS 84 -10.059 7.371 5.034 627 2HB CYS 84 1HB CYS 84 -11.403 6.405 4.426 628 H ASP 85 H ASP 85 -13.632 7.420 5.044 629 HA ASP 85 HA ASP 85 -15.523 5.818 6.575 630 1HB ASP 85 2HB ASP 85 -16.080 7.910 5.225 631 2HB ASP 85 1HB ASP 85 -15.918 6.911 3.781 632 H VAL 86 H VAL 86 -16.207 3.744 6.142 633 HA VAL 86 HA VAL 86 -15.141 2.415 3.681 634 HB VAL 86 HB VAL 86 -15.378 0.993 6.332 635 1HG1 VAL 86 1HG1 VAL 86 -13.679 -0.476 5.255 636 2HG1 VAL 86 2HG1 VAL 86 -13.765 0.526 3.806 637 3HG1 VAL 86 3HG1 VAL 86 -15.176 -0.395 4.327 638 1HG2 VAL 86 1HG2 VAL 86 -13.871 2.833 6.773 639 2HG2 VAL 86 2HG2 VAL 86 -13.031 2.572 5.245 640 3HG2 VAL 86 3HG2 VAL 86 -12.893 1.384 6.541 641 H THR 87 H THR 87 -16.411 0.383 3.172 642 HA THR 87 HA THR 87 -19.143 0.336 4.322 643 HB THR 87 HB THR 87 -18.645 0.590 1.342 644 HG1 THR 87 1HG THR 87 -19.118 2.654 1.558 645 1HG2 THR 87 1HG2 THR 87 -21.150 0.904 1.341 646 2HG2 THR 87 2HG2 THR 87 -21.147 0.419 3.037 647 3HG2 THR 87 3HG2 THR 87 -20.620 -0.716 1.793 648 H GLY 88 H GLY 88 -16.750 -1.106 2.152 649 1HA GLY 88 2HA GLY 88 -17.019 -3.725 3.138 650 2HA GLY 88 1HA GLY 88 -18.144 -3.597 1.785 651 H TRP 89 H TRP 89 -16.701 -5.240 0.772 652 HA TRP 89 HA TRP 89 -14.611 -3.885 -0.820 653 1HB TRP 89 2HB TRP 89 -13.817 -6.525 0.336 654 2HB TRP 89 1HB TRP 89 -12.811 -5.149 -0.114 655 HD1 TRP 89 HD TRP 89 -12.615 -3.135 1.626 656 HE1 TRP 89 1HE TRP 89 -13.009 -3.032 4.171 657 HE3 TRP 89 3HE TRP 89 -15.240 -7.466 2.290 658 HZ2 TRP 89 2HZ TRP 89 -14.270 -4.581 6.219 659 HZ3 TRP 89 3HZ TRP 89 -16.024 -8.127 4.547 660 HH2 TRP 89 HH TRP 89 -15.542 -6.692 6.510 661 H VAL 90 H VAL 90 -13.869 -5.354 -2.627 662 HA VAL 90 HA VAL 90 -15.668 -7.621 -3.222 663 HB VAL 90 HB VAL 90 -15.466 -5.183 -5.012 664 1HG1 VAL 90 1HG1 VAL 90 -15.539 -7.154 -6.390 665 2HG1 VAL 90 2HG1 VAL 90 -17.172 -6.488 -6.365 666 3HG1 VAL 90 3HG1 VAL 90 -16.776 -7.890 -5.371 667 1HG2 VAL 90 1HG2 VAL 90 -17.990 -5.208 -4.628 668 2HG2 VAL 90 2HG2 VAL 90 -17.014 -4.735 -3.237 669 3HG2 VAL 90 3HG2 VAL 90 -17.689 -6.363 -3.329 670 H LEU 91 H LEU 91 -14.595 -9.164 -4.404 671 HA LEU 91 HA LEU 91 -11.815 -9.163 -4.692 672 1HB LEU 91 2HB LEU 91 -13.987 -10.639 -6.181 673 2HB LEU 91 1HB LEU 91 -12.284 -10.903 -6.556 674 HG LEU 91 HG LEU 91 -11.850 -11.491 -4.200 675 1HD1 LEU 91 1HD1 LEU 91 -13.462 -10.231 -2.992 676 2HD1 LEU 91 2HD1 LEU 91 -13.960 -11.909 -2.784 677 3HD1 LEU 91 3HD1 LEU 91 -14.799 -10.879 -3.944 678 1HD2 LEU 91 1HD2 LEU 91 -13.038 -13.637 -4.193 679 2HD2 LEU 91 2HD2 LEU 91 -12.518 -13.251 -5.833 680 3HD2 LEU 91 3HD2 LEU 91 -14.202 -13.018 -5.365 Start of MODEL 20 1 1H GLN 1 1HT GLN 1 -3.021 -6.652 -11.238 2 2H GLN 1 2HT GLN 1 -3.448 -7.569 -12.602 3 3H GLN 1 3HT GLN 1 -4.295 -6.142 -12.235 4 HA GLN 1 HA GLN 1 -1.896 -6.487 -13.732 5 1HB GLN 1 2HB GLN 1 -3.574 -4.029 -13.155 6 2HB GLN 1 1HB GLN 1 -2.488 -4.269 -14.524 7 1HG GLN 1 2HG GLN 1 -3.923 -6.303 -15.119 8 2HG GLN 1 1HG GLN 1 -5.092 -5.692 -13.948 9 1HE2 GLN 1 1HE2 GLN 1 -3.732 -2.920 -15.014 10 2HE2 GLN 1 2HE2 GLN 1 -4.734 -2.571 -16.338 11 H CYS 2 H CYS 2 -0.740 -3.968 -13.601 12 HA CYS 2 HA CYS 2 0.005 -3.383 -10.824 13 1HB CYS 2 2HB CYS 2 1.415 -5.383 -11.555 14 2HB CYS 2 1HB CYS 2 2.171 -4.302 -12.725 15 H TYR 3 H TYR 3 1.450 -1.471 -10.722 16 HA TYR 3 HA TYR 3 1.810 0.024 -13.247 17 1HB TYR 3 2HB TYR 3 0.705 2.056 -12.069 18 2HB TYR 3 1HB TYR 3 -0.356 0.830 -12.762 19 HD1 TYR 3 1HD TYR 3 1.326 1.834 -9.577 20 HD2 TYR 3 2HD TYR 3 -1.910 -0.317 -11.407 21 HE1 TYR 3 1HE TYR 3 0.329 1.433 -7.342 22 HE2 TYR 3 2HE TYR 3 -2.907 -0.718 -9.172 23 HH TYR 3 HH TYR 3 -1.194 -0.093 -6.258 24 H PHE 4 H PHE 4 3.178 1.950 -12.916 25 HA PHE 4 HA PHE 4 4.929 1.649 -10.504 26 1HB PHE 4 2HB PHE 4 5.457 2.470 -13.352 27 2HB PHE 4 1HB PHE 4 6.530 3.028 -12.069 28 HD1 PHE 4 1HD PHE 4 4.773 -0.171 -12.978 29 HD2 PHE 4 2HD PHE 4 8.429 1.721 -11.746 30 HE1 PHE 4 1HE PHE 4 5.916 -2.371 -12.983 31 HE2 PHE 4 2HE PHE 4 9.570 -0.479 -11.751 32 HZ PHE 4 HZ PHE 4 8.313 -2.526 -12.370 33 H ILE 5 H ILE 5 5.383 3.482 -9.272 34 HA ILE 5 HA ILE 5 4.025 6.016 -10.095 35 HB ILE 5 HB ILE 5 4.257 4.990 -7.259 36 1HG1 ILE 5 2HG1 ILE 5 1.840 4.980 -9.095 37 2HG1 ILE 5 1HG1 ILE 5 2.783 3.549 -8.676 38 1HG2 ILE 5 1HG2 ILE 5 2.677 6.781 -6.763 39 2HG2 ILE 5 2HG2 ILE 5 2.567 7.197 -8.473 40 3HG2 ILE 5 3HG2 ILE 5 4.075 7.461 -7.597 41 1HD1 ILE 5 1HD1 ILE 5 1.305 5.333 -6.718 42 2HD1 ILE 5 2HD1 ILE 5 2.276 3.927 -6.282 43 3HD1 ILE 5 3HD1 ILE 5 0.802 3.722 -7.229 44 HA PRO 6 HA PRO 6 8.224 7.533 -9.606 45 1HB PRO 6 2HB PRO 6 7.269 10.220 -9.199 46 2HB PRO 6 1HB PRO 6 7.990 9.524 -10.653 47 1HG PRO 6 2HG PRO 6 5.237 10.224 -10.197 48 2HG PRO 6 1HG PRO 6 5.971 9.573 -11.666 49 1HD PRO 6 2HD PRO 6 4.200 8.223 -9.855 50 2HD PRO 6 1HD PRO 6 5.012 7.543 -11.289 51 H ASN 7 H ASN 7 9.490 8.807 -7.937 52 HA ASN 7 HA ASN 7 8.934 7.956 -5.304 53 1HB ASN 7 2HB ASN 7 11.155 8.779 -6.163 54 2HB ASN 7 1HB ASN 7 10.523 10.422 -6.059 55 1HD2 ASN 7 1HD2 ASN 7 11.498 7.607 -4.123 56 2HD2 ASN 7 2HD2 ASN 7 11.545 8.430 -2.639 57 H GLN 8 H GLN 8 7.285 8.580 -4.007 58 HA GLN 8 HA GLN 8 6.065 11.269 -4.421 59 1HB GLN 8 2HB GLN 8 5.001 9.029 -2.689 60 2HB GLN 8 1HB GLN 8 4.118 10.408 -3.344 61 1HG GLN 8 2HG GLN 8 4.560 9.540 -5.647 62 2HG GLN 8 1HG GLN 8 5.305 8.111 -4.927 63 1HE2 GLN 8 1HE2 GLN 8 3.914 6.438 -4.245 64 2HE2 GLN 8 2HE2 GLN 8 2.220 6.554 -4.240 65 H SER 9 H SER 9 8.569 10.270 -2.751 66 HA SER 9 HA SER 9 7.805 11.156 -0.052 67 1HB SER 9 2HB SER 9 9.966 10.482 0.610 68 2HB SER 9 1HB SER 9 9.553 9.339 -0.665 69 HG SER 9 HG SER 9 10.584 11.305 -1.943 70 H LEU 10 H LEU 10 9.679 12.750 0.895 71 HA LEU 10 HA LEU 10 9.344 15.232 -0.657 72 1HB LEU 10 2HB LEU 10 10.833 14.934 1.955 73 2HB LEU 10 1HB LEU 10 10.042 16.372 1.308 74 HG LEU 10 HG LEU 10 8.678 13.843 2.274 75 1HD1 LEU 10 1HD1 LEU 10 9.505 15.425 4.026 76 2HD1 LEU 10 2HD1 LEU 10 7.746 15.298 3.995 77 3HD1 LEU 10 3HD1 LEU 10 8.541 16.701 3.282 78 1HD2 LEU 10 1HD2 LEU 10 7.642 16.305 0.854 79 2HD2 LEU 10 2HD2 LEU 10 6.594 15.293 1.847 80 3HD2 LEU 10 3HD2 LEU 10 7.386 14.613 0.428 81 H LYS 11 H LYS 11 12.183 14.001 1.107 82 HA LYS 11 HA LYS 11 13.923 15.159 -0.973 83 1HB LYS 11 2HB LYS 11 14.942 13.577 1.374 84 2HB LYS 11 1HB LYS 11 15.669 14.970 0.574 85 1HG LYS 11 2HG LYS 11 13.211 14.992 2.349 86 2HG LYS 11 1HG LYS 11 14.793 15.670 2.734 87 1HD LYS 11 2HD LYS 11 14.517 17.131 0.651 88 2HD LYS 11 1HD LYS 11 12.831 16.618 0.637 89 1HE LYS 11 2HE LYS 11 13.010 17.344 3.221 90 2HE LYS 11 1HE LYS 11 14.250 18.407 2.555 91 1HZ LYS 11 1HZ LYS 11 12.372 18.802 0.771 92 2HZ LYS 11 2HZ LYS 11 12.431 19.692 2.219 93 3HZ LYS 11 3HZ LYS 11 11.369 18.374 2.070 94 HA PRO 12 HA PRO 12 14.457 11.388 -3.247 95 1HB PRO 12 2HB PRO 12 17.314 11.668 -3.482 96 2HB PRO 12 1HB PRO 12 16.077 12.028 -4.689 97 1HG PRO 12 2HG PRO 12 17.645 13.879 -3.113 98 2HG PRO 12 1HG PRO 12 16.512 14.232 -4.421 99 1HD PRO 12 2HD PRO 12 16.129 14.765 -1.653 100 2HD PRO 12 1HD PRO 12 14.909 14.899 -2.942 101 H ASN 13 H ASN 13 15.861 9.318 -3.202 102 HA ASN 13 HA ASN 13 16.758 7.515 -2.005 103 1HB ASN 13 2HB ASN 13 18.425 9.474 -1.418 104 2HB ASN 13 1HB ASN 13 17.662 9.385 0.169 105 1HD2 ASN 13 1HD2 ASN 13 20.313 8.252 -1.415 106 2HD2 ASN 13 2HD2 ASN 13 20.508 6.755 -0.638 107 H GLU 14 H GLU 14 14.040 8.077 -1.607 108 HA GLU 14 HA GLU 14 13.703 7.053 1.153 109 1HB GLU 14 2HB GLU 14 12.469 9.573 0.050 110 2HB GLU 14 1HB GLU 14 11.673 8.659 1.333 111 1HG GLU 14 2HG GLU 14 13.684 8.825 2.723 112 2HG GLU 14 1HG GLU 14 14.515 9.701 1.438 113 H CYS 15 H CYS 15 11.332 6.387 1.463 114 HA CYS 15 HA CYS 15 10.007 5.590 -1.076 115 1HB CYS 15 2HB CYS 15 11.211 3.752 0.959 116 2HB CYS 15 1HB CYS 15 9.676 3.277 0.233 117 H GLN 16 H GLN 16 8.845 7.518 0.157 118 HA GLN 16 HA GLN 16 7.007 6.451 2.247 119 1HB GLN 16 2HB GLN 16 8.095 8.521 2.866 120 2HB GLN 16 1HB GLN 16 7.636 9.272 1.338 121 1HG GLN 16 2HG GLN 16 5.332 9.317 1.928 122 2HG GLN 16 1HG GLN 16 5.576 8.198 3.269 123 1HE2 GLN 16 1HE2 GLN 16 7.302 11.226 2.319 124 2HE2 GLN 16 2HE2 GLN 16 7.113 11.979 3.828 125 H ASP 17 H ASP 17 5.146 5.630 1.439 126 HA ASP 17 HA ASP 17 3.981 6.866 -1.025 127 1HB ASP 17 2HB ASP 17 3.642 4.141 0.253 128 2HB ASP 17 1HB ASP 17 2.586 4.727 -1.033 129 H LEU 18 H LEU 18 2.391 8.314 -0.560 130 HA LEU 18 HA LEU 18 0.575 9.326 0.532 131 1HB LEU 18 2HB LEU 18 -0.048 6.573 1.619 132 2HB LEU 18 1HB LEU 18 -1.174 7.883 1.270 133 HG LEU 18 HG LEU 18 0.430 6.300 -0.758 134 1HD1 LEU 18 1HD1 LEU 18 -2.502 6.435 -0.023 135 2HD1 LEU 18 2HD1 LEU 18 -1.452 5.019 -0.019 136 3HD1 LEU 18 3HD1 LEU 18 -1.936 5.752 -1.547 137 1HD2 LEU 18 1HD2 LEU 18 -1.312 8.759 -0.990 138 2HD2 LEU 18 2HD2 LEU 18 -1.070 7.675 -2.359 139 3HD2 LEU 18 3HD2 LEU 18 0.309 8.502 -1.635 140 H LYS 19 H LYS 19 -0.423 7.962 3.130 141 HA LYS 19 HA LYS 19 1.751 9.050 4.884 142 1HB LYS 19 2HB LYS 19 -1.227 9.290 4.947 143 2HB LYS 19 1HB LYS 19 -0.402 9.162 6.499 144 1HG LYS 19 2HG LYS 19 0.624 11.089 4.428 145 2HG LYS 19 1HG LYS 19 -0.764 11.533 5.418 146 1HD LYS 19 2HD LYS 19 0.466 11.472 7.413 147 2HD LYS 19 1HD LYS 19 1.725 10.450 6.720 148 1HE LYS 19 2HE LYS 19 2.284 12.948 7.063 149 2HE LYS 19 1HE LYS 19 2.666 12.240 5.493 150 1HZ LYS 19 1HZ LYS 19 1.050 14.424 5.996 151 2HZ LYS 19 2HZ LYS 19 -0.003 13.175 5.528 152 3HZ LYS 19 3HZ LYS 19 1.277 13.636 4.511 153 H GLY 20 H GLY 20 0.584 6.212 3.828 154 1HA GLY 20 2HA GLY 20 0.356 4.836 6.421 155 2HA GLY 20 1HA GLY 20 0.218 4.083 4.831 156 H VAL 21 H VAL 21 2.566 4.711 3.603 157 HA VAL 21 HA VAL 21 4.523 3.211 5.259 158 HB VAL 21 HB VAL 21 4.845 4.010 2.363 159 1HG1 VAL 21 1HG1 VAL 21 6.836 3.141 3.486 160 2HG1 VAL 21 2HG1 VAL 21 6.233 1.939 2.345 161 3HG1 VAL 21 3HG1 VAL 21 5.926 1.748 4.071 162 1HG2 VAL 21 1HG2 VAL 21 3.333 1.678 3.567 163 2HG2 VAL 21 2HG2 VAL 21 3.919 1.679 1.904 164 3HG2 VAL 21 3HG2 VAL 21 2.730 2.875 2.420 165 H SER 22 H SER 22 6.747 3.978 5.416 166 HA SER 22 HA SER 22 7.571 6.575 4.509 167 1HB SER 22 2HB SER 22 5.934 7.378 6.154 168 2HB SER 22 1HB SER 22 6.678 6.383 7.402 169 HG SER 22 HG SER 22 7.297 8.762 7.055 170 H HIS 23 H HIS 23 9.409 5.174 4.038 171 HA HIS 23 HA HIS 23 11.254 4.985 6.334 172 1HB HIS 23 2HB HIS 23 10.230 2.621 4.767 173 2HB HIS 23 1HB HIS 23 11.825 2.575 5.519 174 HD1 HIS 23 1HD HIS 23 11.348 3.961 8.161 175 HD2 HIS 23 2HD HIS 23 8.625 1.244 6.551 176 HE1 HIS 23 1HE HIS 23 9.962 3.102 10.099 177 HA PRO 24 HA PRO 24 14.195 6.299 3.297 178 1HB PRO 24 2HB PRO 24 16.266 4.495 4.166 179 2HB PRO 24 1HB PRO 24 16.095 6.216 4.525 180 1HG PRO 24 2HG PRO 24 15.628 3.959 6.274 181 2HG PRO 24 1HG PRO 24 15.598 5.681 6.665 182 1HD PRO 24 2HD PRO 24 13.359 3.932 6.529 183 2HD PRO 24 1HD PRO 24 13.317 5.706 6.687 184 H LEU 25 H LEU 25 15.805 5.278 1.616 185 HA LEU 25 HA LEU 25 14.397 3.480 -0.051 186 1HB LEU 25 2HB LEU 25 16.824 4.933 -0.163 187 2HB LEU 25 1HB LEU 25 17.263 3.255 -0.461 188 HG LEU 25 HG LEU 25 16.703 4.509 -2.544 189 1HD1 LEU 25 1HD1 LEU 25 15.229 2.790 -3.485 190 2HD1 LEU 25 2HD1 LEU 25 14.762 2.281 -1.864 191 3HD1 LEU 25 3HD1 LEU 25 16.422 2.057 -2.414 192 1HD2 LEU 25 1HD2 LEU 25 14.779 5.684 -2.802 193 2HD2 LEU 25 2HD2 LEU 25 14.642 5.587 -1.048 194 3HD2 LEU 25 3HD2 LEU 25 13.798 4.419 -2.066 195 H ASN 26 H ASN 26 16.208 1.451 -0.751 196 HA ASN 26 HA ASN 26 16.717 -0.762 -0.154 197 1HB ASN 26 2HB ASN 26 17.238 0.328 2.618 198 2HB ASN 26 1HB ASN 26 18.011 -1.045 1.825 199 1HD2 ASN 26 1HD2 ASN 26 18.831 -0.116 -0.600 200 2HD2 ASN 26 2HD2 ASN 26 19.855 1.228 -0.439 201 H SER 27 H SER 27 14.114 -0.619 -0.273 202 HA SER 27 HA SER 27 13.186 -2.146 2.090 203 1HB SER 27 2HB SER 27 11.632 0.230 1.031 204 2HB SER 27 1HB SER 27 11.203 -0.789 2.402 205 HG SER 27 HG SER 27 12.545 1.384 2.533 206 H VAL 28 H VAL 28 13.257 -3.873 0.475 207 HA VAL 28 HA VAL 28 11.111 -3.699 -1.599 208 HB VAL 28 HB VAL 28 12.403 -5.838 -2.406 209 1HG1 VAL 28 1HG1 VAL 28 13.631 -3.073 -2.612 210 2HG1 VAL 28 2HG1 VAL 28 12.319 -3.684 -3.620 211 3HG1 VAL 28 3HG1 VAL 28 13.922 -4.411 -3.723 212 1HG2 VAL 28 1HG2 VAL 28 14.596 -4.421 -0.874 213 2HG2 VAL 28 2HG2 VAL 28 14.717 -5.938 -1.765 214 3HG2 VAL 28 3HG2 VAL 28 13.782 -5.864 -0.271 215 H TRP 29 H TRP 29 9.287 -4.848 -1.142 216 HA TRP 29 HA TRP 29 9.536 -7.372 0.408 217 1HB TRP 29 2HB TRP 29 7.733 -6.750 1.926 218 2HB TRP 29 1HB TRP 29 9.020 -5.550 2.035 219 HD1 TRP 29 HD TRP 29 5.454 -6.033 0.823 220 HE1 TRP 29 1HE TRP 29 4.440 -3.736 0.246 221 HE3 TRP 29 3HE TRP 29 9.617 -3.105 1.232 222 HZ2 TRP 29 2HZ TRP 29 5.284 -1.013 -0.011 223 HZ3 TRP 29 3HZ TRP 29 9.482 -0.665 0.816 224 HH2 TRP 29 HH TRP 29 7.324 0.383 0.197 225 H LYS 30 H LYS 30 8.438 -8.915 -0.664 226 HA LYS 30 HA LYS 30 6.182 -8.080 -2.449 227 1HB LYS 30 2HB LYS 30 8.146 -10.376 -2.672 228 2HB LYS 30 1HB LYS 30 6.715 -10.214 -3.692 229 1HG LYS 30 2HG LYS 30 7.541 -7.947 -4.386 230 2HG LYS 30 1HG LYS 30 9.024 -8.260 -3.484 231 1HD LYS 30 2HD LYS 30 9.503 -10.210 -4.875 232 2HD LYS 30 1HD LYS 30 7.974 -10.004 -5.732 233 1HE LYS 30 2HE LYS 30 8.701 -7.878 -6.640 234 2HE LYS 30 1HE LYS 30 10.167 -7.914 -5.662 235 1HZ LYS 30 1HZ LYS 30 10.579 -10.138 -6.856 236 2HZ LYS 30 2HZ LYS 30 10.882 -8.693 -7.696 237 3HZ LYS 30 3HZ LYS 30 9.457 -9.569 -7.994 238 H THR 31 H THR 31 4.240 -8.666 -1.619 239 HA THR 31 HA THR 31 4.116 -11.065 0.164 240 HB THR 31 HB THR 31 2.216 -10.094 1.201 241 HG1 THR 31 1HG THR 31 1.569 -7.946 0.075 242 1HG2 THR 31 1HG2 THR 31 4.461 -8.926 1.575 243 2HG2 THR 31 2HG2 THR 31 3.021 -7.999 1.993 244 3HG2 THR 31 3HG2 THR 31 3.872 -7.674 0.484 245 H LYS 32 H LYS 32 4.169 -12.295 -1.979 246 HA LYS 32 HA LYS 32 2.247 -12.195 -3.986 247 1HB LYS 32 2HB LYS 32 2.449 -14.829 -3.861 248 2HB LYS 32 1HB LYS 32 3.843 -13.856 -4.331 249 1HG LYS 32 2HG LYS 32 4.847 -14.043 -2.202 250 2HG LYS 32 1HG LYS 32 3.343 -14.562 -1.439 251 1HD LYS 32 2HD LYS 32 4.500 -16.250 -3.638 252 2HD LYS 32 1HD LYS 32 5.228 -16.331 -2.035 253 1HE LYS 32 2HE LYS 32 2.243 -16.580 -2.377 254 2HE LYS 32 1HE LYS 32 3.296 -17.979 -2.584 255 1HZ LYS 32 1HZ LYS 32 4.060 -17.808 -0.391 256 2HZ LYS 32 2HZ LYS 32 2.379 -17.584 -0.282 257 3HZ LYS 32 3HZ LYS 32 3.424 -16.248 -0.188 258 H ASP 33 H ASP 33 0.350 -13.821 -4.232 259 HA ASP 33 HA ASP 33 -1.807 -14.427 -3.540 260 1HB ASP 33 2HB ASP 33 -0.355 -15.939 -2.075 261 2HB ASP 33 1HB ASP 33 -0.598 -14.758 -0.788 262 H CYS 34 H CYS 34 -0.435 -11.629 -2.794 263 HA CYS 34 HA CYS 34 -2.921 -10.546 -1.643 264 1HB CYS 34 2HB CYS 34 -0.288 -10.016 -0.246 265 2HB CYS 34 1HB CYS 34 -1.902 -9.538 0.281 266 H GLU 35 H GLU 35 0.376 -9.234 -1.692 267 HA GLU 35 HA GLU 35 -0.212 -7.610 -4.074 268 1HB GLU 35 2HB GLU 35 -1.239 -6.243 -2.338 269 2HB GLU 35 1HB GLU 35 0.207 -6.371 -1.335 270 1HG GLU 35 2HG GLU 35 1.490 -5.038 -2.814 271 2HG GLU 35 1HG GLU 35 0.322 -5.219 -4.124 272 H GLU 36 H GLU 36 1.779 -6.229 -4.602 273 HA GLU 36 HA GLU 36 4.275 -7.258 -3.360 274 1HB GLU 36 2HB GLU 36 3.892 -7.221 -6.363 275 2HB GLU 36 1HB GLU 36 5.247 -7.896 -5.459 276 1HG GLU 36 2HG GLU 36 3.628 -9.506 -4.387 277 2HG GLU 36 1HG GLU 36 2.395 -8.917 -5.505 278 H CYS 37 H CYS 37 5.117 -5.334 -2.671 279 HA CYS 37 HA CYS 37 5.220 -3.085 -4.640 280 1HB CYS 37 2HB CYS 37 4.758 -3.104 -1.672 281 2HB CYS 37 1HB CYS 37 5.464 -1.686 -2.446 282 H THR 38 H THR 38 7.214 -2.448 -5.214 283 HA THR 38 HA THR 38 9.521 -3.228 -3.467 284 HB THR 38 HB THR 38 10.799 -3.783 -5.383 285 HG1 THR 38 1HG THR 38 9.458 -1.880 -6.494 286 1HG2 THR 38 1HG2 THR 38 9.532 -5.512 -6.449 287 2HG2 THR 38 2HG2 THR 38 8.012 -4.671 -6.144 288 3HG2 THR 38 3HG2 THR 38 8.912 -5.381 -4.804 289 H CYS 39 H CYS 39 11.433 -1.767 -3.784 290 HA CYS 39 HA CYS 39 10.519 1.028 -4.349 291 1HB CYS 39 2HB CYS 39 12.359 -0.178 -2.332 292 2HB CYS 39 1HB CYS 39 12.788 1.415 -2.957 293 H GLY 40 H GLY 40 11.109 1.443 -6.446 294 1HA GLY 40 2HA GLY 40 13.535 0.339 -7.622 295 2HA GLY 40 1HA GLY 40 12.463 1.519 -8.379 296 H GLN 41 H GLN 41 15.228 1.847 -8.571 297 HA GLN 41 HA GLN 41 16.542 3.343 -6.611 298 1HB GLN 41 2HB GLN 41 17.381 2.609 -8.945 299 2HB GLN 41 1HB GLN 41 16.674 4.118 -9.524 300 1HG GLN 41 2HG GLN 41 18.932 4.663 -9.032 301 2HG GLN 41 1HG GLN 41 18.014 5.267 -7.652 302 1HE2 GLN 41 1HE2 GLN 41 20.363 4.958 -6.688 303 2HE2 GLN 41 2HE2 GLN 41 20.676 3.447 -5.980 304 H ASP 42 H ASP 42 14.483 4.640 -9.218 305 HA ASP 42 HA ASP 42 13.889 6.979 -7.445 306 1HB ASP 42 2HB ASP 42 13.847 8.389 -9.513 307 2HB ASP 42 1HB ASP 42 15.448 7.744 -9.154 308 H ALA 43 H ALA 43 12.404 4.462 -7.997 309 HA ALA 43 HA ALA 43 9.824 5.708 -8.600 310 1HB ALA 43 1HB ALA 43 10.977 3.574 -10.423 311 2HB ALA 43 2HB ALA 43 10.570 5.230 -10.872 312 3HB ALA 43 3HB ALA 43 9.293 4.094 -10.440 313 H ILE 44 H ILE 44 8.030 4.132 -8.234 314 HA ILE 44 HA ILE 44 8.888 1.847 -6.491 315 HB ILE 44 HB ILE 44 6.599 3.801 -6.129 316 1HG1 ILE 44 2HG1 ILE 44 8.847 2.997 -4.258 317 2HG1 ILE 44 1HG1 ILE 44 8.912 4.413 -5.310 318 1HG2 ILE 44 1HG2 ILE 44 5.667 1.669 -5.599 319 2HG2 ILE 44 2HG2 ILE 44 6.159 2.360 -4.053 320 3HG2 ILE 44 3HG2 ILE 44 7.157 1.129 -4.825 321 1HD1 ILE 44 1HD1 ILE 44 6.956 3.879 -3.062 322 2HD1 ILE 44 2HD1 ILE 44 6.743 5.176 -4.236 323 3HD1 ILE 44 3HD1 ILE 44 8.143 5.178 -3.165 324 H SER 45 H SER 45 8.028 -0.097 -7.074 325 HA SER 45 HA SER 45 5.869 -0.094 -9.150 326 1HB SER 45 2HB SER 45 6.790 -2.063 -10.026 327 2HB SER 45 1HB SER 45 8.227 -1.169 -9.539 328 HG SER 45 HG SER 45 6.868 -3.157 -8.026 329 H CYS 46 H CYS 46 3.902 -0.685 -8.372 330 HA CYS 46 HA CYS 46 3.811 -2.647 -6.112 331 1HB CYS 46 2HB CYS 46 2.368 -0.038 -6.466 332 2HB CYS 46 1HB CYS 46 1.598 -1.341 -5.561 333 H CYS 47 H CYS 47 2.557 -4.389 -6.507 334 HA CYS 47 HA CYS 47 0.585 -4.239 -8.758 335 1HB CYS 47 2HB CYS 47 2.081 -6.744 -7.973 336 2HB CYS 47 1HB CYS 47 1.196 -6.421 -9.464 337 H ASN 48 H ASN 48 -1.355 -4.176 -7.693 338 HA ASN 48 HA ASN 48 -1.757 -6.056 -5.398 339 1HB ASN 48 2HB ASN 48 -3.764 -4.553 -4.934 340 2HB ASN 48 1HB ASN 48 -2.182 -3.805 -4.702 341 1HD2 ASN 48 1HD2 ASN 48 -5.030 -3.875 -6.810 342 2HD2 ASN 48 2HD2 ASN 48 -4.623 -2.487 -7.699 343 H THR 49 H THR 49 -3.439 -7.534 -5.487 344 HA THR 49 HA THR 49 -5.215 -7.477 -7.888 345 HB THR 49 HB THR 49 -4.789 -9.747 -8.414 346 HG1 THR 49 1HG THR 49 -3.516 -11.040 -6.989 347 1HG2 THR 49 1HG2 THR 49 -2.927 -8.179 -9.006 348 2HG2 THR 49 2HG2 THR 49 -2.393 -9.845 -8.785 349 3HG2 THR 49 3HG2 THR 49 -2.111 -8.653 -7.517 350 H ALA 50 H ALA 50 -5.091 -7.350 -4.653 351 HA ALA 50 HA ALA 50 -7.147 -9.334 -3.998 352 1HB ALA 50 1HB ALA 50 -5.559 -8.799 -2.265 353 2HB ALA 50 2HB ALA 50 -7.118 -8.145 -1.762 354 3HB ALA 50 3HB ALA 50 -5.884 -7.074 -2.424 355 H ALA 51 H ALA 51 -9.181 -8.480 -2.825 356 HA ALA 51 HA ALA 51 -10.863 -7.105 -4.565 357 1HB ALA 51 1HB ALA 51 -11.467 -8.325 -2.389 358 2HB ALA 51 2HB ALA 51 -12.389 -6.866 -2.752 359 3HB ALA 51 3HB ALA 51 -11.087 -6.813 -1.564 360 H ILE 52 H ILE 52 -11.915 -4.881 -4.012 361 HA ILE 52 HA ILE 52 -9.780 -2.915 -3.302 362 HB ILE 52 HB ILE 52 -10.424 -3.246 -5.823 363 1HG1 ILE 52 2HG1 ILE 52 -10.521 -0.400 -4.833 364 2HG1 ILE 52 1HG1 ILE 52 -9.063 -1.370 -4.618 365 1HG2 ILE 52 1HG2 ILE 52 -12.314 -2.008 -6.586 366 2HG2 ILE 52 2HG2 ILE 52 -12.579 -1.289 -4.998 367 3HG2 ILE 52 3HG2 ILE 52 -12.903 -3.005 -5.257 368 1HD1 ILE 52 1HD1 ILE 52 -8.960 -1.814 -7.007 369 2HD1 ILE 52 2HD1 ILE 52 -9.001 -0.074 -6.718 370 3HD1 ILE 52 3HD1 ILE 52 -10.455 -0.914 -7.258 371 HA PRO 53 HA PRO 53 -12.943 -1.627 -0.391 372 1HB PRO 53 2HB PRO 53 -11.898 1.055 -0.300 373 2HB PRO 53 1HB PRO 53 -11.704 -0.237 0.888 374 1HG PRO 53 2HG PRO 53 -9.740 0.808 -0.936 375 2HG PRO 53 1HG PRO 53 -9.536 -0.449 0.288 376 1HD PRO 53 2HD PRO 53 -9.582 -0.781 -2.559 377 2HD PRO 53 1HD PRO 53 -9.472 -2.057 -1.322 378 H THR 54 H THR 54 -14.989 -1.176 -1.077 379 HA THR 54 HA THR 54 -15.372 1.032 -3.070 380 HB THR 54 HB THR 54 -17.175 -0.166 -4.012 381 HG1 THR 54 1HG THR 54 -17.074 -2.047 -1.913 382 1HG2 THR 54 1HG2 THR 54 -14.847 -1.199 -4.315 383 2HG2 THR 54 2HG2 THR 54 -16.224 -2.240 -4.675 384 3HG2 THR 54 3HG2 THR 54 -15.358 -2.418 -3.148 385 H GLY 55 H GLY 55 -17.751 1.907 -2.856 386 1HA GLY 55 2HA GLY 55 -19.373 2.971 -1.526 387 2HA GLY 55 1HA GLY 55 -19.009 1.795 -0.262 388 H TYR 56 H TYR 56 -16.239 2.359 0.036 389 HA TYR 56 HA TYR 56 -16.208 4.375 1.966 390 1HB TYR 56 2HB TYR 56 -14.237 3.189 2.037 391 2HB TYR 56 1HB TYR 56 -14.143 3.045 0.283 392 HD1 TYR 56 1HD TYR 56 -12.367 4.173 -0.714 393 HD2 TYR 56 2HD TYR 56 -14.160 5.819 2.826 394 HE1 TYR 56 1HE TYR 56 -10.767 6.064 -0.783 395 HE2 TYR 56 2HE TYR 56 -12.559 7.710 2.757 396 HH TYR 56 HH TYR 56 -9.898 7.818 1.461 397 H ASP 57 H ASP 57 -16.956 6.419 1.618 398 HA ASP 57 HA ASP 57 -17.009 7.780 -0.868 399 1HB ASP 57 2HB ASP 57 -18.292 8.417 1.211 400 2HB ASP 57 1HB ASP 57 -16.793 9.080 1.861 401 H THR 58 H THR 58 -15.214 8.223 -2.060 402 HA THR 58 HA THR 58 -12.594 8.552 -0.844 403 HB THR 58 HB THR 58 -11.780 8.789 -3.072 404 HG1 THR 58 1HG THR 58 -14.232 8.996 -4.292 405 1HG2 THR 58 1HG2 THR 58 -12.752 6.560 -2.514 406 2HG2 THR 58 2HG2 THR 58 -12.821 6.922 -4.239 407 3HG2 THR 58 3HG2 THR 58 -14.271 7.074 -3.247 408 H ASN 59 H ASN 59 -13.345 10.367 0.609 409 HA ASN 59 HA ASN 59 -13.794 12.967 -0.702 410 1HB ASN 59 2HB ASN 59 -14.897 12.216 1.485 411 2HB ASN 59 1HB ASN 59 -13.325 12.467 2.245 412 1HD2 ASN 59 1HD2 ASN 59 -12.339 14.779 1.381 413 2HD2 ASN 59 2HD2 ASN 59 -13.429 16.071 1.539 414 H LYS 60 H LYS 60 -11.300 11.450 1.354 415 HA LYS 60 HA LYS 60 -9.203 12.948 -0.002 416 1HB LYS 60 2HB LYS 60 -8.438 13.881 2.344 417 2HB LYS 60 1HB LYS 60 -9.636 14.766 1.399 418 1HG LYS 60 2HG LYS 60 -11.452 13.823 2.676 419 2HG LYS 60 1HG LYS 60 -10.359 12.714 3.505 420 1HD LYS 60 2HD LYS 60 -9.306 14.480 4.706 421 2HD LYS 60 1HD LYS 60 -10.024 15.713 3.667 422 1HE LYS 60 2HE LYS 60 -12.266 15.124 4.512 423 2HE LYS 60 1HE LYS 60 -11.551 13.891 5.550 424 1HZ LYS 60 1HZ LYS 60 -10.498 16.612 5.735 425 2HZ LYS 60 2HZ LYS 60 -10.673 15.432 6.944 426 3HZ LYS 60 3HZ LYS 60 -12.024 16.314 6.414 427 H CYS 61 H CYS 61 -10.183 10.923 2.722 428 HA CYS 61 HA CYS 61 -7.718 9.912 3.570 429 1HB CYS 61 2HB CYS 61 -10.362 8.475 3.218 430 2HB CYS 61 1HB CYS 61 -8.980 7.787 4.069 431 H GLN 62 H GLN 62 -6.943 7.562 3.030 432 HA GLN 62 HA GLN 62 -7.066 7.126 0.067 433 1HB GLN 62 2HB GLN 62 -4.539 6.523 1.556 434 2HB GLN 62 1HB GLN 62 -4.764 6.985 -0.131 435 1HG GLN 62 2HG GLN 62 -3.875 8.945 0.753 436 2HG GLN 62 1HG GLN 62 -5.603 9.259 0.911 437 1HE2 GLN 62 1HE2 GLN 62 -2.653 8.546 2.707 438 2HE2 GLN 62 2HE2 GLN 62 -3.317 8.775 4.252 439 H LYS 63 H LYS 63 -5.914 4.879 -0.348 440 HA LYS 63 HA LYS 63 -7.034 2.923 1.632 441 1HB LYS 63 2HB LYS 63 -7.107 1.432 -0.540 442 2HB LYS 63 1HB LYS 63 -8.389 2.607 -0.247 443 1HG LYS 63 2HG LYS 63 -7.323 4.224 -1.709 444 2HG LYS 63 1HG LYS 63 -5.918 3.175 -1.908 445 1HD LYS 63 2HD LYS 63 -7.131 1.592 -3.178 446 2HD LYS 63 1HD LYS 63 -8.688 2.232 -2.648 447 1HE LYS 63 2HE LYS 63 -8.135 2.898 -4.986 448 2HE LYS 63 1HE LYS 63 -8.316 4.288 -3.914 449 1HZ LYS 63 1HZ LYS 63 -5.657 3.424 -3.804 450 2HZ LYS 63 2HZ LYS 63 -6.262 4.893 -4.405 451 3HZ LYS 63 3HZ LYS 63 -6.089 3.557 -5.439 452 H ILE 64 H ILE 64 -5.677 1.208 2.218 453 HA ILE 64 HA ILE 64 -3.063 0.969 0.813 454 HB ILE 64 HB ILE 64 -3.040 2.510 2.925 455 1HG1 ILE 64 2HG1 ILE 64 -0.805 1.523 3.594 456 2HG1 ILE 64 1HG1 ILE 64 -1.150 0.174 2.515 457 1HG2 ILE 64 1HG2 ILE 64 -2.803 -0.144 4.337 458 2HG2 ILE 64 2HG2 ILE 64 -4.350 0.695 4.219 459 3HG2 ILE 64 3HG2 ILE 64 -2.990 1.464 5.038 460 1HD1 ILE 64 1HD1 ILE 64 -0.783 1.414 0.630 461 2HD1 ILE 64 2HD1 ILE 64 0.173 2.409 1.726 462 3HD1 ILE 64 3HD1 ILE 64 -1.478 2.878 1.328 463 H LEU 65 H LEU 65 -2.084 -1.100 1.047 464 HA LEU 65 HA LEU 65 -3.981 -3.235 1.812 465 1HB LEU 65 2HB LEU 65 -2.174 -2.929 -0.280 466 2HB LEU 65 1HB LEU 65 -1.331 -4.031 0.799 467 HG LEU 65 HG LEU 65 -2.734 -5.191 -0.897 468 1HD1 LEU 65 1HD1 LEU 65 -3.105 -5.514 2.043 469 2HD1 LEU 65 2HD1 LEU 65 -2.407 -6.622 0.868 470 3HD1 LEU 65 3HD1 LEU 65 -4.158 -6.453 0.988 471 1HD2 LEU 65 1HD2 LEU 65 -4.591 -3.238 -0.417 472 2HD2 LEU 65 2HD2 LEU 65 -5.257 -4.574 0.523 473 3HD2 LEU 65 3HD2 LEU 65 -4.951 -4.774 -1.201 474 H ASN 66 H ASN 66 -3.872 -3.962 3.880 475 HA ASN 66 HA ASN 66 -1.485 -3.509 5.510 476 1HB ASN 66 2HB ASN 66 -4.154 -3.754 6.098 477 2HB ASN 66 1HB ASN 66 -3.567 -5.356 6.534 478 1HD2 ASN 66 1HD2 ASN 66 -2.285 -1.988 6.881 479 2HD2 ASN 66 2HD2 ASN 66 -1.870 -2.165 8.517 480 H LYS 67 H LYS 67 0.207 -4.784 4.769 481 HA LYS 67 HA LYS 67 -0.086 -7.466 3.816 482 1HB LYS 67 2HB LYS 67 2.408 -7.593 4.247 483 2HB LYS 67 1HB LYS 67 1.898 -6.250 3.225 484 1HG LYS 67 2HG LYS 67 2.730 -4.744 4.690 485 2HG LYS 67 1HG LYS 67 1.797 -5.451 6.009 486 1HD LYS 67 2HD LYS 67 3.526 -7.134 6.379 487 2HD LYS 67 1HD LYS 67 4.443 -6.533 4.998 488 1HE LYS 67 2HE LYS 67 4.787 -4.388 6.097 489 2HE LYS 67 1HE LYS 67 3.750 -4.873 7.438 490 1HZ LYS 67 1HZ LYS 67 5.344 -6.165 8.325 491 2HZ LYS 67 2HZ LYS 67 6.389 -5.145 7.458 492 3HZ LYS 67 3HZ LYS 67 5.953 -6.660 6.822 493 H LYS 68 H LYS 68 -0.407 -6.247 6.945 494 HA LYS 68 HA LYS 68 0.821 -8.234 8.546 495 1HB LYS 68 2HB LYS 68 -1.662 -6.554 8.925 496 2HB LYS 68 1HB LYS 68 -1.140 -7.711 10.149 497 1HG LYS 68 2HG LYS 68 0.852 -5.749 9.049 498 2HG LYS 68 1HG LYS 68 -0.307 -5.204 10.258 499 1HD LYS 68 2HD LYS 68 1.165 -7.762 10.787 500 2HD LYS 68 1HD LYS 68 2.050 -6.249 10.967 501 1HE LYS 68 2HE LYS 68 1.099 -6.781 13.115 502 2HE LYS 68 1HE LYS 68 0.177 -5.431 12.458 503 1HZ LYS 68 1HZ LYS 68 -1.588 -6.826 11.886 504 2HZ LYS 68 2HZ LYS 68 -1.123 -7.358 13.431 505 3HZ LYS 68 3HZ LYS 68 -0.661 -8.237 12.053 506 H THR 69 H THR 69 -2.502 -8.117 7.250 507 HA THR 69 HA THR 69 -2.548 -11.108 7.365 508 HB THR 69 HB THR 69 -5.015 -10.881 7.899 509 HG1 THR 69 1HG THR 69 -4.478 -8.345 8.896 510 1HG2 THR 69 1HG2 THR 69 -3.321 -11.443 9.616 511 2HG2 THR 69 2HG2 THR 69 -4.635 -10.478 10.288 512 3HG2 THR 69 3HG2 THR 69 -3.083 -9.723 9.926 513 H CYS 70 H CYS 70 -2.005 -9.123 5.183 514 HA CYS 70 HA CYS 70 -2.642 -8.748 2.952 515 1HB CYS 70 2HB CYS 70 -3.807 -11.491 3.488 516 2HB CYS 70 1HB CYS 70 -3.795 -10.746 1.889 517 H THR 71 H THR 71 -4.098 -7.007 3.906 518 HA THR 71 HA THR 71 -6.880 -7.519 3.006 519 HB THR 71 HB THR 71 -7.918 -7.004 5.018 520 HG1 THR 71 1HG THR 71 -5.572 -5.544 5.461 521 1HG2 THR 71 1HG2 THR 71 -6.577 -9.090 5.283 522 2HG2 THR 71 2HG2 THR 71 -6.826 -8.244 6.808 523 3HG2 THR 71 3HG2 THR 71 -5.274 -8.128 5.982 524 H TYR 72 H TYR 72 -8.132 -5.355 3.065 525 HA TYR 72 HA TYR 72 -6.274 -3.167 2.208 526 1HB TYR 72 2HB TYR 72 -8.576 -4.329 0.972 527 2HB TYR 72 1HB TYR 72 -9.003 -2.682 1.426 528 HD1 TYR 72 1HD TYR 72 -6.755 -1.038 1.072 529 HD2 TYR 72 2HD TYR 72 -7.854 -4.491 -1.236 530 HE1 TYR 72 1HE TYR 72 -5.462 -0.163 -0.856 531 HE2 TYR 72 2HE TYR 72 -6.561 -3.615 -3.163 532 HH TYR 72 HH TYR 72 -5.440 -0.420 -3.324 533 H THR 73 H THR 73 -6.431 -1.185 3.256 534 HA THR 73 HA THR 73 -8.696 -0.812 5.170 535 HB THR 73 HB THR 73 -7.341 -0.518 6.997 536 HG1 THR 73 1HG THR 73 -4.953 0.080 6.255 537 1HG2 THR 73 1HG2 THR 73 -6.760 -2.754 6.035 538 2HG2 THR 73 2HG2 THR 73 -5.461 -2.051 6.998 539 3HG2 THR 73 3HG2 THR 73 -5.377 -2.005 5.237 540 H VAL 74 H VAL 74 -8.707 1.540 5.959 541 HA VAL 74 HA VAL 74 -7.837 3.358 3.742 542 HB VAL 74 HB VAL 74 -10.268 3.929 5.416 543 1HG1 VAL 74 1HG1 VAL 74 -9.205 5.541 3.739 544 2HG1 VAL 74 2HG1 VAL 74 -10.922 5.217 3.513 545 3HG1 VAL 74 3HG1 VAL 74 -9.732 4.425 2.481 546 1HG2 VAL 74 1HG2 VAL 74 -11.624 2.740 3.662 547 2HG2 VAL 74 2HG2 VAL 74 -10.664 1.653 4.667 548 3HG2 VAL 74 3HG2 VAL 74 -10.124 2.053 3.037 549 H VAL 75 H VAL 75 -6.387 4.820 4.470 550 HA VAL 75 HA VAL 75 -6.396 5.500 7.385 551 HB VAL 75 HB VAL 75 -4.023 6.301 6.858 552 1HG1 VAL 75 1HG1 VAL 75 -3.170 3.894 6.726 553 2HG1 VAL 75 2HG1 VAL 75 -4.859 3.404 6.605 554 3HG1 VAL 75 3HG1 VAL 75 -4.285 4.243 8.046 555 1HG2 VAL 75 1HG2 VAL 75 -4.413 4.590 4.390 556 2HG2 VAL 75 2HG2 VAL 75 -2.998 5.551 4.822 557 3HG2 VAL 75 3HG2 VAL 75 -4.499 6.352 4.353 558 H GLU 76 H GLU 76 -5.568 7.814 7.789 559 HA GLU 76 HA GLU 76 -6.932 9.648 5.857 560 1HB GLU 76 2HB GLU 76 -7.735 9.474 8.292 561 2HB GLU 76 1HB GLU 76 -6.228 10.281 8.723 562 1HG GLU 76 2HG GLU 76 -6.794 12.174 7.275 563 2HG GLU 76 1HG GLU 76 -8.277 11.365 6.771 564 H LYS 77 H LYS 77 -5.818 11.436 5.086 565 HA LYS 77 HA LYS 77 -2.978 11.305 4.917 566 1HB LYS 77 2HB LYS 77 -5.061 13.349 4.236 567 2HB LYS 77 1HB LYS 77 -3.372 13.853 4.241 568 1HG LYS 77 2HG LYS 77 -4.085 11.309 2.821 569 2HG LYS 77 1HG LYS 77 -4.489 12.841 2.046 570 1HD LYS 77 2HD LYS 77 -2.214 13.549 2.022 571 2HD LYS 77 1HD LYS 77 -1.729 12.278 3.145 572 1HE LYS 77 2HE LYS 77 -2.950 11.562 0.486 573 2HE LYS 77 1HE LYS 77 -1.236 11.957 0.600 574 1HZ LYS 77 1HZ LYS 77 -2.698 9.779 1.969 575 2HZ LYS 77 2HZ LYS 77 -1.150 10.281 2.458 576 3HZ LYS 77 3HZ LYS 77 -1.389 9.648 0.899 577 H LYS 78 H LYS 78 -5.019 12.521 7.414 578 HA LYS 78 HA LYS 78 -2.671 13.933 8.637 579 1HB LYS 78 2HB LYS 78 -5.632 14.529 8.808 580 2HB LYS 78 1HB LYS 78 -4.451 15.232 9.913 581 1HG LYS 78 2HG LYS 78 -3.353 16.412 8.185 582 2HG LYS 78 1HG LYS 78 -4.082 15.417 6.924 583 1HD LYS 78 2HD LYS 78 -6.189 16.455 7.151 584 2HD LYS 78 1HD LYS 78 -5.792 17.114 8.738 585 1HE LYS 78 2HE LYS 78 -5.750 18.768 6.778 586 2HE LYS 78 1HE LYS 78 -4.319 18.738 7.809 587 1HZ LYS 78 1HZ LYS 78 -4.441 18.309 5.072 588 2HZ LYS 78 2HZ LYS 78 -4.067 16.807 5.771 589 3HZ LYS 78 3HZ LYS 78 -3.087 18.159 6.082 590 H ASP 79 H ASP 79 -4.268 11.098 8.858 591 HA ASP 79 HA ASP 79 -3.553 10.830 11.708 592 1HB ASP 79 2HB ASP 79 -6.046 11.601 11.404 593 2HB ASP 79 1HB ASP 79 -6.315 9.924 10.932 594 HA PRO 80 HA PRO 80 -2.807 7.145 8.901 595 1HB PRO 80 2HB PRO 80 -0.173 7.001 10.055 596 2HB PRO 80 1HB PRO 80 -0.615 7.399 8.393 597 1HG PRO 80 2HG PRO 80 0.425 9.162 10.377 598 2HG PRO 80 1HG PRO 80 -0.110 9.576 8.746 599 1HD PRO 80 2HD PRO 80 -1.420 10.155 11.279 600 2HD PRO 80 1HD PRO 80 -1.880 10.695 9.645 601 H GLY 81 H GLY 81 -2.689 7.826 12.274 602 1HA GLY 81 2HA GLY 81 -2.257 4.995 13.029 603 2HA GLY 81 1HA GLY 81 -2.416 6.350 14.147 604 H LYS 82 H LYS 82 -4.796 6.578 11.801 605 HA LYS 82 HA LYS 82 -6.735 4.918 13.343 606 1HB LYS 82 2HB LYS 82 -6.919 7.877 12.759 607 2HB LYS 82 1HB LYS 82 -8.356 6.907 13.075 608 1HG LYS 82 2HG LYS 82 -6.043 6.718 14.981 609 2HG LYS 82 1HG LYS 82 -7.099 8.127 15.065 610 1HD LYS 82 2HD LYS 82 -9.063 6.623 15.279 611 2HD LYS 82 1HD LYS 82 -7.981 5.230 15.258 612 1HE LYS 82 2HE LYS 82 -8.620 5.922 17.574 613 2HE LYS 82 1HE LYS 82 -6.881 5.999 17.293 614 1HZ LYS 82 1HZ LYS 82 -8.359 8.410 16.657 615 2HZ LYS 82 2HZ LYS 82 -6.864 8.224 17.442 616 3HZ LYS 82 3HZ LYS 82 -8.312 8.007 18.304 617 H THR 83 H THR 83 -8.294 3.976 12.041 618 HA THR 83 HA THR 83 -7.842 4.056 9.168 619 HB THR 83 HB THR 83 -9.775 2.474 9.094 620 HG1 THR 83 1HG THR 83 -10.779 3.502 10.974 621 1HG2 THR 83 1HG2 THR 83 -7.538 2.017 11.071 622 2HG2 THR 83 2HG2 THR 83 -7.652 1.454 9.404 623 3HG2 THR 83 3HG2 THR 83 -8.684 0.745 10.646 624 H CYS 84 H CYS 84 -9.408 4.752 7.580 625 HA CYS 84 HA CYS 84 -10.996 7.074 8.507 626 1HB CYS 84 2HB CYS 84 -9.423 7.026 6.432 627 2HB CYS 84 1HB CYS 84 -10.750 6.175 5.641 628 H ASP 85 H ASP 85 -12.986 7.057 6.512 629 HA ASP 85 HA ASP 85 -14.900 5.245 7.712 630 1HB ASP 85 2HB ASP 85 -15.372 7.545 6.680 631 2HB ASP 85 1HB ASP 85 -15.269 6.743 5.112 632 H VAL 86 H VAL 86 -15.654 3.294 6.940 633 HA VAL 86 HA VAL 86 -14.578 2.324 4.320 634 HB VAL 86 HB VAL 86 -14.929 0.513 6.709 635 1HG1 VAL 86 1HG1 VAL 86 -13.300 0.392 4.153 636 2HG1 VAL 86 2HG1 VAL 86 -14.719 -0.580 4.546 637 3HG1 VAL 86 3HG1 VAL 86 -13.218 -0.809 5.441 638 1HG2 VAL 86 1HG2 VAL 86 -13.365 2.116 7.530 639 2HG2 VAL 86 2HG2 VAL 86 -12.558 2.239 5.966 640 3HG2 VAL 86 3HG2 VAL 86 -12.387 0.774 6.934 641 H THR 87 H THR 87 -15.901 0.353 3.565 642 HA THR 87 HA THR 87 -18.691 0.376 4.588 643 HB THR 87 HB THR 87 -18.094 0.666 1.636 644 HG1 THR 87 1HG THR 87 -18.307 2.544 3.666 645 1HG2 THR 87 1HG2 THR 87 -20.272 -0.345 2.397 646 2HG2 THR 87 2HG2 THR 87 -20.455 1.143 1.469 647 3HG2 THR 87 3HG2 THR 87 -20.623 1.172 3.224 648 H GLY 88 H GLY 88 -16.346 -1.049 2.334 649 1HA GLY 88 2HA GLY 88 -16.654 -3.701 3.181 650 2HA GLY 88 1HA GLY 88 -17.852 -3.472 1.906 651 H TRP 89 H TRP 89 -16.490 -5.117 0.755 652 HA TRP 89 HA TRP 89 -14.401 -3.724 -0.837 653 1HB TRP 89 2HB TRP 89 -13.834 -6.544 0.000 654 2HB TRP 89 1HB TRP 89 -12.709 -5.243 -0.393 655 HD1 TRP 89 HD TRP 89 -12.801 -3.119 1.492 656 HE1 TRP 89 1HE TRP 89 -12.820 -3.332 4.061 657 HE3 TRP 89 3HE TRP 89 -14.413 -7.942 1.963 658 HZ2 TRP 89 2HZ TRP 89 -13.436 -5.291 6.052 659 HZ3 TRP 89 3HZ TRP 89 -14.707 -8.955 4.206 660 HH2 TRP 89 HH TRP 89 -14.221 -7.637 6.249 661 H VAL 90 H VAL 90 -13.868 -5.037 -2.836 662 HA VAL 90 HA VAL 90 -15.953 -7.001 -3.601 663 HB VAL 90 HB VAL 90 -15.438 -4.411 -5.087 664 1HG1 VAL 90 1HG1 VAL 90 -15.676 -6.087 -6.760 665 2HG1 VAL 90 2HG1 VAL 90 -17.278 -5.367 -6.598 666 3HG1 VAL 90 3HG1 VAL 90 -16.932 -6.925 -5.848 667 1HG2 VAL 90 1HG2 VAL 90 -16.984 -4.107 -3.249 668 2HG2 VAL 90 2HG2 VAL 90 -17.858 -5.577 -3.679 669 3HG2 VAL 90 3HG2 VAL 90 -17.929 -4.169 -4.736 670 H LEU 91 H LEU 91 -15.186 -8.481 -5.119 671 HA LEU 91 HA LEU 91 -12.348 -8.701 -5.464 672 1HB LEU 91 2HB LEU 91 -14.563 -10.049 -7.041 673 2HB LEU 91 1HB LEU 91 -12.880 -10.570 -6.976 674 HG LEU 91 HG LEU 91 -14.467 -10.263 -4.431 675 1HD1 LEU 91 1HD1 LEU 91 -14.898 -12.772 -4.671 676 2HD1 LEU 91 2HD1 LEU 91 -14.509 -12.575 -6.380 677 3HD1 LEU 91 3HD1 LEU 91 -15.883 -11.718 -5.684 678 1HD2 LEU 91 1HD2 LEU 91 -12.062 -10.599 -4.212 679 2HD2 LEU 91 2HD2 LEU 91 -12.119 -11.976 -5.312 680 3HD2 LEU 91 3HD2 LEU 91 -12.885 -12.081 -3.728
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